NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
590431 | 2mn1 | 19874 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 5.298 -3.012 -3.211 2 HA2 GLY 1 HA2 GLY 1 3.813 -4.728 -2.991 3 HA3 GLY 1 HA3 GLY 1 5.121 -5.855 -3.466 4 H LEU 2 H LEU 2 5.931 -3.520 -1.183 5 HA LEU 2 HA LEU 2 5.766 -5.570 0.930 6 HB2 LEU 2 HB2 LEU 2 8.069 -5.090 0.008 7 HB3 LEU 2 HB3 LEU 2 7.907 -3.472 0.660 8 HG LEU 2 HG LEU 2 7.705 -4.442 2.931 9 HD11 LEU 2 HD11 LEU 2 6.838 -6.615 2.372 10 HD12 LEU 2 HD12 LEU 2 8.357 -6.783 3.253 11 HD13 LEU 2 HD13 LEU 2 8.320 -7.004 1.504 12 HD21 LEU 2 HD21 LEU 2 10.064 -5.082 3.142 13 HD22 LEU 2 HD22 LEU 2 9.849 -3.647 2.146 14 HD23 LEU 2 HD23 LEU 2 10.177 -5.206 1.385 15 HA PRO 3 HA PRO 3 3.432 -2.199 2.799 16 HB2 PRO 3 HB2 PRO 3 3.187 -3.852 5.174 17 HB3 PRO 3 HB3 PRO 3 1.923 -3.324 4.058 18 HG2 PRO 3 HG2 PRO 3 2.770 -5.905 4.248 19 HG3 PRO 3 HG3 PRO 3 2.110 -5.209 2.757 20 HD2 PRO 3 HD2 PRO 3 4.951 -5.739 3.522 21 HD3 PRO 3 HD3 PRO 3 4.137 -5.908 1.947 22 H VAL 4 H VAL 4 5.402 -1.062 2.909 23 HA VAL 4 HA VAL 4 6.408 -0.815 5.669 24 HB VAL 4 HB VAL 4 8.612 -0.082 4.661 25 HG11 VAL 4 HG11 VAL 4 8.395 -2.263 5.646 26 HG12 VAL 4 HG12 VAL 4 9.363 -2.402 4.172 27 HG13 VAL 4 HG13 VAL 4 7.666 -2.889 4.176 28 HG21 VAL 4 HG21 VAL 4 7.853 0.419 2.411 29 HG22 VAL 4 HG22 VAL 4 7.384 -1.261 2.173 30 HG23 VAL 4 HG23 VAL 4 9.085 -0.844 2.343 31 H CYS 5 H CYS 5 4.445 0.573 3.729 32 HA CYS 5 HA CYS 5 5.600 3.195 3.499 33 HB2 CYS 5 HB2 CYS 5 2.814 2.234 2.884 34 HB3 CYS 5 HB3 CYS 5 3.454 3.830 2.521 35 H GLY 6 H GLY 6 3.572 1.467 5.554 36 HA2 GLY 6 HA2 GLY 6 3.018 1.962 7.756 37 HA3 GLY 6 HA3 GLY 6 3.732 3.551 7.484 38 H GLU 7 H GLU 7 1.731 2.969 5.028 39 HA GLU 7 HA GLU 7 -0.555 4.211 6.399 40 HB2 GLU 7 HB2 GLU 7 -1.002 5.584 4.446 41 HB3 GLU 7 HB3 GLU 7 0.637 5.871 5.012 42 HG2 GLU 7 HG2 GLU 7 1.498 4.431 3.276 43 HG3 GLU 7 HG3 GLU 7 -0.129 4.093 2.723 44 H THR 8 H THR 8 -2.398 4.210 4.541 45 HA THR 8 HA THR 8 -2.683 1.478 3.612 46 HB THR 8 HB THR 8 -5.123 1.773 4.370 47 HG1 THR 8 HG1 THR 8 -5.181 3.021 6.370 48 HG21 THR 8 HG21 THR 8 -3.633 0.116 5.353 49 HG22 THR 8 HG22 THR 8 -4.652 0.857 6.589 50 HG23 THR 8 HG23 THR 8 -2.960 1.345 6.431 51 H CYS 9 H CYS 9 -4.392 1.302 2.045 52 HA CYS 9 HA CYS 9 -5.045 3.799 0.707 53 HB2 CYS 9 HB2 CYS 9 -4.979 2.362 -1.405 54 HB3 CYS 9 HB3 CYS 9 -3.441 2.893 -0.767 55 H VAL 10 H VAL 10 -7.072 3.711 1.803 56 HA VAL 10 HA VAL 10 -8.714 1.391 1.588 57 HB VAL 10 HB VAL 10 -9.536 4.227 2.146 58 HG11 VAL 10 HG11 VAL 10 -11.472 3.208 3.324 59 HG12 VAL 10 HG12 VAL 10 -10.921 1.616 2.802 60 HG13 VAL 10 HG13 VAL 10 -11.445 2.802 1.607 61 HG21 VAL 10 HG21 VAL 10 -8.730 2.074 4.093 62 HG22 VAL 10 HG22 VAL 10 -9.397 3.643 4.545 63 HG23 VAL 10 HG23 VAL 10 -7.834 3.549 3.732 64 H GLY 11 H GLY 11 -8.210 4.253 -0.287 65 HA2 GLY 11 HA2 GLY 11 -10.331 3.484 -2.162 66 HA3 GLY 11 HA3 GLY 11 -9.497 5.034 -2.121 67 H GLY 12 H GLY 12 -7.232 2.644 -1.699 68 HA2 GLY 12 HA2 GLY 12 -5.858 1.447 -3.147 69 HA3 GLY 12 HA3 GLY 12 -6.914 1.910 -4.472 70 H THR 13 H THR 13 -5.968 4.524 -2.575 71 HA THR 13 HA THR 13 -3.982 5.338 -4.587 72 HB THR 13 HB THR 13 -5.521 7.178 -2.833 73 HG1 THR 13 HG1 THR 13 -6.477 5.645 -4.919 74 HG21 THR 13 HG21 THR 13 -5.154 8.765 -4.688 75 HG22 THR 13 HG22 THR 13 -4.353 7.493 -5.603 76 HG23 THR 13 HG23 THR 13 -3.635 8.083 -4.103 77 H CYS 14 H CYS 14 -2.101 5.086 -3.576 78 HA CYS 14 HA CYS 14 -1.846 5.610 -0.735 79 HB2 CYS 14 HB2 CYS 14 0.206 4.688 -2.746 80 HB3 CYS 14 HB3 CYS 14 0.473 4.830 -1.009 81 H ASN 15 H ASN 15 -0.524 7.134 0.157 82 HA ASN 15 HA ASN 15 -0.447 9.617 -1.296 83 HB2 ASN 15 HB2 ASN 15 0.412 8.974 1.532 84 HB3 ASN 15 HB3 ASN 15 0.279 10.587 0.851 85 HD21 ASN 15 HD21 ASN 15 -1.436 7.821 2.033 86 HD22 ASN 15 HD22 ASN 15 -2.965 8.597 2.247 87 H THR 16 H THR 16 1.938 7.807 0.638 88 HA THR 16 HA THR 16 4.183 9.238 -0.010 89 HB THR 16 HB THR 16 4.059 6.264 0.528 90 HG1 THR 16 HG1 THR 16 3.091 7.240 2.195 91 HG21 THR 16 HG21 THR 16 6.254 7.021 -0.292 92 HG22 THR 16 HG22 THR 16 6.327 6.570 1.411 93 HG23 THR 16 HG23 THR 16 6.284 8.272 0.952 94 HA PRO 17 HA PRO 17 4.779 8.371 -4.415 95 HB2 PRO 17 HB2 PRO 17 7.392 9.638 -3.769 96 HB3 PRO 17 HB3 PRO 17 6.240 10.049 -5.044 97 HG2 PRO 17 HG2 PRO 17 6.504 11.600 -2.899 98 HG3 PRO 17 HG3 PRO 17 4.911 11.304 -3.619 99 HD2 PRO 17 HD2 PRO 17 6.129 10.120 -1.161 100 HD3 PRO 17 HD3 PRO 17 4.455 10.640 -1.466 101 H GLY 18 H GLY 18 5.354 6.377 -4.924 102 HA2 GLY 18 HA2 GLY 18 7.244 4.893 -5.332 103 HA3 GLY 18 HA3 GLY 18 7.787 5.247 -3.688 104 H CYS 19 H CYS 19 4.727 5.233 -3.165 105 HA CYS 19 HA CYS 19 4.630 2.352 -2.717 106 HB2 CYS 19 HB2 CYS 19 2.775 4.443 -1.618 107 HB3 CYS 19 HB3 CYS 19 2.776 2.754 -1.233 108 H THR 20 H THR 20 2.777 1.262 -3.119 109 HA THR 20 HA THR 20 0.914 2.275 -5.074 110 HB THR 20 HB THR 20 1.325 -0.123 -6.093 111 HG1 THR 20 HG1 THR 20 3.982 0.480 -5.313 112 HG21 THR 20 HG21 THR 20 2.904 0.847 -7.739 113 HG22 THR 20 HG22 THR 20 3.163 2.218 -6.658 114 HG23 THR 20 HG23 THR 20 1.576 1.948 -7.379 115 H CYS 21 H CYS 21 -1.041 0.968 -5.013 116 HA CYS 21 HA CYS 21 -1.328 -0.388 -2.457 117 HB2 CYS 21 HB2 CYS 21 -2.876 1.454 -3.145 118 HB3 CYS 21 HB3 CYS 21 -3.431 0.389 -4.442 119 H SER 22 H SER 22 -0.196 -2.320 -3.127 120 HA SER 22 HA SER 22 -1.320 -3.909 -5.176 121 HB2 SER 22 HB2 SER 22 0.845 -4.384 -3.152 122 HB3 SER 22 HB3 SER 22 0.494 -5.339 -4.590 123 HG SER 22 HG SER 22 0.691 -3.048 -5.576 124 H TRP 23 H TRP 23 -0.913 -4.138 -1.595 125 HA TRP 23 HA TRP 23 -2.917 -6.255 -1.668 126 HB2 TRP 23 HB2 TRP 23 -0.993 -5.554 0.566 127 HB3 TRP 23 HB3 TRP 23 -2.224 -6.800 0.655 128 HD1 TRP 23 HD1 TRP 23 1.296 -6.578 0.289 129 HE1 TRP 23 HE1 TRP 23 2.304 -8.599 -0.926 130 HE3 TRP 23 HE3 TRP 23 -2.963 -8.431 -1.858 131 HZ2 TRP 23 HZ2 TRP 23 1.408 -10.706 -2.601 132 HZ3 TRP 23 HZ3 TRP 23 -2.790 -10.451 -3.257 133 HH2 TRP 23 HH2 TRP 23 -0.650 -11.555 -3.615 134 H TRP 24 H TRP 24 -4.498 -4.682 -2.046 135 HA TRP 24 HA TRP 24 -5.117 -2.505 -0.456 136 HB2 TRP 24 HB2 TRP 24 -6.106 -2.938 -2.688 137 HB3 TRP 24 HB3 TRP 24 -7.005 -4.295 -2.027 138 HD1 TRP 24 HD1 TRP 24 -6.911 -0.458 -1.955 139 HE1 TRP 24 HE1 TRP 24 -9.247 0.397 -1.157 140 HE3 TRP 24 HE3 TRP 24 -9.081 -4.915 -0.816 141 HZ2 TRP 24 HZ2 TRP 24 -11.638 -0.689 -0.237 142 HZ3 TRP 24 HZ3 TRP 24 -11.388 -4.931 0.005 143 HH2 TRP 24 HH2 TRP 24 -12.642 -2.861 0.286 144 HA PRO 25 HA PRO 25 -6.398 -1.361 0.580 145 HB2 PRO 25 HB2 PRO 25 -7.241 -0.480 3.043 146 HB3 PRO 25 HB3 PRO 25 -8.311 -0.967 1.729 147 HG2 PRO 25 HG2 PRO 25 -7.975 -2.266 4.255 148 HG3 PRO 25 HG3 PRO 25 -8.965 -2.798 2.890 149 HD2 PRO 25 HD2 PRO 25 -6.208 -3.619 3.665 150 HD3 PRO 25 HD3 PRO 25 -7.481 -4.564 2.865 151 H VAL 26 H VAL 26 -3.956 -2.795 1.587 152 HA VAL 26 HA VAL 26 -2.866 -0.708 3.342 153 HB VAL 26 HB VAL 26 -1.861 -3.546 2.921 154 HG11 VAL 26 HG11 VAL 26 -0.967 -1.446 4.898 155 HG12 VAL 26 HG12 VAL 26 -0.058 -1.998 3.493 156 HG13 VAL 26 HG13 VAL 26 -0.380 -3.108 4.826 157 HG21 VAL 26 HG21 VAL 26 -3.964 -3.541 4.120 158 HG22 VAL 26 HG22 VAL 26 -3.333 -2.342 5.248 159 HG23 VAL 26 HG23 VAL 26 -2.637 -3.964 5.204 160 H CYS 27 H CYS 27 -0.906 0.299 2.683 161 HA CYS 27 HA CYS 27 -0.460 0.030 -0.138 162 HB2 CYS 27 HB2 CYS 27 0.697 1.920 1.868 163 HB3 CYS 27 HB3 CYS 27 1.104 1.885 0.184 164 H THR 28 H THR 28 1.552 -0.057 -0.917 165 HA THR 28 HA THR 28 3.491 -1.595 0.619 166 HB THR 28 HB THR 28 3.608 -3.104 -1.475 167 HG1 THR 28 HG1 THR 28 1.693 -1.495 -2.250 168 HG21 THR 28 HG21 THR 28 1.890 -4.601 -0.555 169 HG22 THR 28 HG22 THR 28 1.261 -3.239 0.400 170 HG23 THR 28 HG23 THR 28 2.888 -3.852 0.702 171 H ARG 29 H ARG 29 5.581 -1.533 -0.328 172 HA ARG 29 HA ARG 29 5.897 0.818 -1.942 173 HB2 ARG 29 HB2 ARG 29 7.370 -0.043 0.109 174 HB3 ARG 29 HB3 ARG 29 8.267 -0.819 -1.190 175 HG2 ARG 29 HG2 ARG 29 9.364 1.201 -0.987 176 HG3 ARG 29 HG3 ARG 29 8.201 1.539 -2.274 177 HD2 ARG 29 HD2 ARG 29 7.855 3.371 -0.898 178 HD3 ARG 29 HD3 ARG 29 6.662 2.196 -0.310 179 HE ARG 29 HE ARG 29 8.966 1.738 1.118 180 HH11 ARG 29 HH11 ARG 29 6.578 4.341 0.920 181 HH12 ARG 29 HH12 ARG 29 7.013 4.999 2.447 182 HH21 ARG 29 HH21 ARG 29 9.481 2.630 3.195 183 HH22 ARG 29 HH22 ARG 29 8.641 3.989 3.759 184 H ASN 30 H ASN 30 7.352 -2.449 -2.080 185 HA ASN 30 HA ASN 30 7.393 -2.384 -4.962 186 HB2 ASN 30 HB2 ASN 30 9.354 -3.844 -4.574 187 HB3 ASN 30 HB3 ASN 30 9.641 -2.199 -3.994 188 HD21 ASN 30 HD21 ASN 30 9.387 -5.532 -3.192 189 HD22 ASN 30 HD22 ASN 30 9.833 -5.402 -1.536 Start of MODEL 2 1 H1 GLY 1 H GLY 1 4.824 -3.159 -3.041 2 HA2 GLY 1 HA2 GLY 1 3.357 -4.886 -2.620 3 HA3 GLY 1 HA3 GLY 1 4.591 -6.021 -3.231 4 H LEU 2 H LEU 2 5.647 -3.629 -1.080 5 HA LEU 2 HA LEU 2 5.792 -5.593 1.110 6 HB2 LEU 2 HB2 LEU 2 7.956 -5.118 -0.045 7 HB3 LEU 2 HB3 LEU 2 7.775 -3.435 0.382 8 HG LEU 2 HG LEU 2 7.842 -4.109 2.789 9 HD11 LEU 2 HD11 LEU 2 7.182 -6.427 2.569 10 HD12 LEU 2 HD12 LEU 2 8.770 -6.317 3.327 11 HD13 LEU 2 HD13 LEU 2 8.633 -6.773 1.631 12 HD21 LEU 2 HD21 LEU 2 9.796 -3.204 1.638 13 HD22 LEU 2 HD22 LEU 2 10.243 -4.829 1.113 14 HD23 LEU 2 HD23 LEU 2 10.260 -4.417 2.828 15 HA PRO 3 HA PRO 3 3.446 -2.098 2.714 16 HB2 PRO 3 HB2 PRO 3 2.994 -3.616 5.096 17 HB3 PRO 3 HB3 PRO 3 1.834 -3.124 3.855 18 HG2 PRO 3 HG2 PRO 3 2.599 -5.739 4.248 19 HG3 PRO 3 HG3 PRO 3 2.044 -5.103 2.693 20 HD2 PRO 3 HD2 PRO 3 4.828 -5.640 3.640 21 HD3 PRO 3 HD3 PRO 3 4.098 -5.860 2.031 22 H VAL 4 H VAL 4 5.610 -1.046 2.922 23 HA VAL 4 HA VAL 4 6.051 -0.647 5.774 24 HB VAL 4 HB VAL 4 8.489 -0.225 5.380 25 HG11 VAL 4 HG11 VAL 4 7.805 -2.366 6.230 26 HG12 VAL 4 HG12 VAL 4 9.188 -2.562 5.149 27 HG13 VAL 4 HG13 VAL 4 7.563 -2.972 4.595 28 HG21 VAL 4 HG21 VAL 4 7.963 -1.371 2.648 29 HG22 VAL 4 HG22 VAL 4 9.554 -1.041 3.336 30 HG23 VAL 4 HG23 VAL 4 8.437 0.287 3.015 31 H CYS 5 H CYS 5 4.397 0.570 3.867 32 HA CYS 5 HA CYS 5 5.497 3.237 3.412 33 HB2 CYS 5 HB2 CYS 5 2.792 2.084 2.837 34 HB3 CYS 5 HB3 CYS 5 3.326 3.699 2.395 35 H GLY 6 H GLY 6 3.635 1.521 5.576 36 HA2 GLY 6 HA2 GLY 6 2.861 2.081 7.668 37 HA3 GLY 6 HA3 GLY 6 3.519 3.690 7.406 38 H GLU 7 H GLU 7 1.621 3.204 4.877 39 HA GLU 7 HA GLU 7 -0.714 4.269 6.312 40 HB2 GLU 7 HB2 GLU 7 -1.238 5.767 4.501 41 HB3 GLU 7 HB3 GLU 7 0.446 5.975 4.949 42 HG2 GLU 7 HG2 GLU 7 1.131 4.658 3.052 43 HG3 GLU 7 HG3 GLU 7 -0.545 4.413 2.600 44 H THR 8 H THR 8 -2.638 4.288 4.597 45 HA THR 8 HA THR 8 -2.990 1.488 3.804 46 HB THR 8 HB THR 8 -5.426 1.949 4.525 47 HG1 THR 8 HG1 THR 8 -4.580 4.282 5.039 48 HG21 THR 8 HG21 THR 8 -4.930 1.214 6.841 49 HG22 THR 8 HG22 THR 8 -3.225 1.594 6.570 50 HG23 THR 8 HG23 THR 8 -4.004 0.319 5.636 51 H CYS 9 H CYS 9 -4.621 1.173 2.170 52 HA CYS 9 HA CYS 9 -5.284 3.586 0.713 53 HB2 CYS 9 HB2 CYS 9 -5.050 2.168 -1.381 54 HB3 CYS 9 HB3 CYS 9 -3.556 2.662 -0.611 55 H VAL 10 H VAL 10 -7.322 3.481 1.757 56 HA VAL 10 HA VAL 10 -8.923 1.116 1.428 57 HB VAL 10 HB VAL 10 -9.805 3.901 2.231 58 HG11 VAL 10 HG11 VAL 10 -11.731 2.772 3.257 59 HG12 VAL 10 HG12 VAL 10 -11.147 1.226 2.643 60 HG13 VAL 10 HG13 VAL 10 -11.661 2.484 1.519 61 HG21 VAL 10 HG21 VAL 10 -9.670 3.092 4.554 62 HG22 VAL 10 HG22 VAL 10 -8.095 3.087 3.760 63 HG23 VAL 10 HG23 VAL 10 -8.980 1.577 3.973 64 H GLY 11 H GLY 11 -8.519 4.190 -0.116 65 HA2 GLY 11 HA2 GLY 11 -10.606 3.647 -2.057 66 HA3 GLY 11 HA3 GLY 11 -9.601 5.093 -1.964 67 H GLY 12 H GLY 12 -7.305 3.043 -1.639 68 HA2 GLY 12 HA2 GLY 12 -6.075 1.632 -3.106 69 HA3 GLY 12 HA3 GLY 12 -7.203 2.096 -4.374 70 H THR 13 H THR 13 -5.759 4.432 -2.332 71 HA THR 13 HA THR 13 -3.756 5.047 -4.345 72 HB THR 13 HB THR 13 -5.588 7.126 -3.193 73 HG1 THR 13 HG1 THR 13 -5.928 5.373 -5.202 74 HG21 THR 13 HG21 THR 13 -3.364 7.938 -3.846 75 HG22 THR 13 HG22 THR 13 -4.604 8.586 -4.915 76 HG23 THR 13 HG23 THR 13 -3.581 7.254 -5.458 77 H CYS 14 H CYS 14 -1.963 5.283 -3.400 78 HA CYS 14 HA CYS 14 -1.787 5.893 -0.538 79 HB2 CYS 14 HB2 CYS 14 0.272 4.681 -2.380 80 HB3 CYS 14 HB3 CYS 14 0.384 4.820 -0.625 81 H ASN 15 H ASN 15 -0.405 7.455 0.212 82 HA ASN 15 HA ASN 15 0.038 9.692 -1.579 83 HB2 ASN 15 HB2 ASN 15 0.402 9.421 1.404 84 HB3 ASN 15 HB3 ASN 15 0.639 10.907 0.497 85 HD21 ASN 15 HD21 ASN 15 -1.646 8.625 1.702 86 HD22 ASN 15 HD22 ASN 15 -3.056 9.590 1.488 87 H THR 16 H THR 16 1.950 7.755 0.699 88 HA THR 16 HA THR 16 4.389 8.947 0.437 89 HB THR 16 HB THR 16 3.858 5.985 0.767 90 HG1 THR 16 HG1 THR 16 2.806 7.155 2.355 91 HG21 THR 16 HG21 THR 16 6.035 5.949 1.935 92 HG22 THR 16 HG22 THR 16 6.272 7.652 1.535 93 HG23 THR 16 HG23 THR 16 6.219 6.446 0.253 94 HA PRO 17 HA PRO 17 5.368 8.445 -3.939 95 HB2 PRO 17 HB2 PRO 17 8.032 9.240 -2.871 96 HB3 PRO 17 HB3 PRO 17 7.128 9.911 -4.234 97 HG2 PRO 17 HG2 PRO 17 7.270 11.235 -1.943 98 HG3 PRO 17 HG3 PRO 17 5.758 11.186 -2.867 99 HD2 PRO 17 HD2 PRO 17 6.514 9.689 -0.396 100 HD3 PRO 17 HD3 PRO 17 4.956 10.405 -0.864 101 H GLY 18 H GLY 18 5.677 6.500 -4.695 102 HA2 GLY 18 HA2 GLY 18 7.265 4.817 -5.300 103 HA3 GLY 18 HA3 GLY 18 7.953 4.947 -3.684 104 H CYS 19 H CYS 19 4.761 5.166 -3.159 105 HA CYS 19 HA CYS 19 4.610 2.284 -2.755 106 HB2 CYS 19 HB2 CYS 19 2.876 4.404 -1.548 107 HB3 CYS 19 HB3 CYS 19 2.807 2.703 -1.225 108 H THR 20 H THR 20 2.750 1.245 -3.096 109 HA THR 20 HA THR 20 0.806 2.312 -4.958 110 HB THR 20 HB THR 20 1.060 -0.107 -5.956 111 HG1 THR 20 HG1 THR 20 3.776 0.271 -5.546 112 HG21 THR 20 HG21 THR 20 1.351 1.933 -7.287 113 HG22 THR 20 HG22 THR 20 2.608 0.764 -7.697 114 HG23 THR 20 HG23 THR 20 2.980 2.130 -6.645 115 H CYS 21 H CYS 21 -1.173 1.063 -4.810 116 HA CYS 21 HA CYS 21 -1.430 -0.386 -2.309 117 HB2 CYS 21 HB2 CYS 21 -3.087 1.355 -3.066 118 HB3 CYS 21 HB3 CYS 21 -3.517 0.231 -4.364 119 H SER 22 H SER 22 -0.082 -2.206 -3.055 120 HA SER 22 HA SER 22 -1.018 -3.799 -5.160 121 HB2 SER 22 HB2 SER 22 1.077 -4.170 -3.045 122 HB3 SER 22 HB3 SER 22 0.844 -5.170 -4.472 123 HG SER 22 HG SER 22 1.404 -3.476 -5.763 124 H TRP 23 H TRP 23 -1.132 -3.862 -1.579 125 HA TRP 23 HA TRP 23 -2.884 -6.203 -1.845 126 HB2 TRP 23 HB2 TRP 23 -1.259 -5.574 0.642 127 HB3 TRP 23 HB3 TRP 23 -2.166 -7.035 0.303 128 HD1 TRP 23 HD1 TRP 23 1.198 -6.094 0.667 129 HE1 TRP 23 HE1 TRP 23 2.849 -7.474 -0.731 130 HE3 TRP 23 HE3 TRP 23 -2.099 -8.202 -2.630 131 HZ2 TRP 23 HZ2 TRP 23 2.771 -9.233 -2.936 132 HZ3 TRP 23 HZ3 TRP 23 -1.218 -9.726 -4.345 133 HH2 TRP 23 HH2 TRP 23 1.158 -10.227 -4.493 134 H TRP 24 H TRP 24 -4.663 -4.861 -2.063 135 HA TRP 24 HA TRP 24 -5.283 -2.613 -0.538 136 HB2 TRP 24 HB2 TRP 24 -6.339 -3.184 -2.711 137 HB3 TRP 24 HB3 TRP 24 -7.196 -4.512 -1.936 138 HD1 TRP 24 HD1 TRP 24 -7.102 -0.682 -2.046 139 HE1 TRP 24 HE1 TRP 24 -9.378 0.228 -1.182 140 HE3 TRP 24 HE3 TRP 24 -9.273 -5.065 -0.603 141 HZ2 TRP 24 HZ2 TRP 24 -11.734 -0.769 -0.082 142 HZ3 TRP 24 HZ3 TRP 24 -11.552 -4.998 0.346 143 HH2 TRP 24 HH2 TRP 24 -12.748 -2.890 0.596 144 HA PRO 25 HA PRO 25 -6.345 -1.442 0.619 145 HB2 PRO 25 HB2 PRO 25 -7.316 -0.466 2.884 146 HB3 PRO 25 HB3 PRO 25 -8.361 -1.299 1.729 147 HG2 PRO 25 HG2 PRO 25 -7.458 -2.188 4.389 148 HG3 PRO 25 HG3 PRO 25 -8.822 -2.748 3.409 149 HD2 PRO 25 HD2 PRO 25 -6.147 -3.892 3.644 150 HD3 PRO 25 HD3 PRO 25 -7.599 -4.581 2.891 151 H VAL 26 H VAL 26 -3.912 -2.845 1.568 152 HA VAL 26 HA VAL 26 -2.886 -0.903 3.528 153 HB VAL 26 HB VAL 26 -1.695 -3.603 2.813 154 HG11 VAL 26 HG11 VAL 26 -1.128 -1.755 5.125 155 HG12 VAL 26 HG12 VAL 26 -0.097 -2.019 3.723 156 HG13 VAL 26 HG13 VAL 26 -0.386 -3.335 4.863 157 HG21 VAL 26 HG21 VAL 26 -3.858 -3.995 3.840 158 HG22 VAL 26 HG22 VAL 26 -3.451 -2.917 5.169 159 HG23 VAL 26 HG23 VAL 26 -2.574 -4.436 4.968 160 H CYS 27 H CYS 27 -1.004 0.309 2.893 161 HA CYS 27 HA CYS 27 -0.510 0.119 0.077 162 HB2 CYS 27 HB2 CYS 27 0.551 2.031 2.097 163 HB3 CYS 27 HB3 CYS 27 0.932 2.039 0.415 164 H THR 28 H THR 28 1.384 0.012 -0.721 165 HA THR 28 HA THR 28 3.379 -1.508 0.783 166 HB THR 28 HB THR 28 3.421 -3.069 -1.217 167 HG1 THR 28 HG1 THR 28 1.643 -1.356 -2.116 168 HG21 THR 28 HG21 THR 28 1.547 -4.404 -0.385 169 HG22 THR 28 HG22 THR 28 0.969 -3.012 0.538 170 HG23 THR 28 HG23 THR 28 2.520 -3.755 0.936 171 H ARG 29 H ARG 29 5.398 -1.608 -0.268 172 HA ARG 29 HA ARG 29 5.979 0.728 -1.777 173 HB2 ARG 29 HB2 ARG 29 7.592 -1.450 -0.523 174 HB3 ARG 29 HB3 ARG 29 8.351 -0.189 -1.428 175 HG2 ARG 29 HG2 ARG 29 6.711 0.161 1.023 176 HG3 ARG 29 HG3 ARG 29 8.472 0.128 0.915 177 HD2 ARG 29 HD2 ARG 29 6.654 2.165 -0.381 178 HD3 ARG 29 HD3 ARG 29 7.627 2.427 1.056 179 HE ARG 29 HE ARG 29 9.362 1.616 -0.941 180 HH11 ARG 29 HH11 ARG 29 7.199 4.335 -0.312 181 HH12 ARG 29 HH12 ARG 29 8.064 5.459 -1.268 182 HH21 ARG 29 HH21 ARG 29 10.587 3.149 -2.209 183 HH22 ARG 29 HH22 ARG 29 10.070 4.762 -2.362 184 H ASN 30 H ASN 30 6.965 -2.653 -2.064 185 HA ASN 30 HA ASN 30 6.823 -2.572 -4.947 186 HB2 ASN 30 HB2 ASN 30 8.753 -4.150 -4.650 187 HB3 ASN 30 HB3 ASN 30 9.126 -2.458 -4.271 188 HD21 ASN 30 HD21 ASN 30 8.924 -5.688 -3.069 189 HD22 ASN 30 HD22 ASN 30 9.534 -5.343 -1.491 Start of MODEL 3 1 H1 GLY 1 H GLY 1 5.380 -2.918 -3.331 2 HA2 GLY 1 HA2 GLY 1 3.868 -4.617 -3.121 3 HA3 GLY 1 HA3 GLY 1 5.115 -5.731 -3.769 4 H LEU 2 H LEU 2 5.994 -3.513 -1.398 5 HA LEU 2 HA LEU 2 6.089 -5.657 0.628 6 HB2 LEU 2 HB2 LEU 2 8.295 -4.940 -0.388 7 HB3 LEU 2 HB3 LEU 2 8.014 -3.359 0.304 8 HG LEU 2 HG LEU 2 8.018 -4.420 2.565 9 HD11 LEU 2 HD11 LEU 2 8.952 -6.831 1.024 10 HD12 LEU 2 HD12 LEU 2 7.457 -6.693 1.950 11 HD13 LEU 2 HD13 LEU 2 9.014 -6.651 2.774 12 HD21 LEU 2 HD21 LEU 2 10.445 -4.669 2.658 13 HD22 LEU 2 HD22 LEU 2 9.984 -3.281 1.673 14 HD23 LEU 2 HD23 LEU 2 10.506 -4.779 0.899 15 HA PRO 3 HA PRO 3 3.505 -2.511 2.500 16 HB2 PRO 3 HB2 PRO 3 2.772 -3.911 4.694 17 HB3 PRO 3 HB3 PRO 3 2.025 -4.135 3.108 18 HG2 PRO 3 HG2 PRO 3 4.048 -5.825 4.502 19 HG3 PRO 3 HG3 PRO 3 2.741 -6.314 3.413 20 HD2 PRO 3 HD2 PRO 3 5.405 -6.101 2.703 21 HD3 PRO 3 HD3 PRO 3 4.053 -6.051 1.559 22 H VAL 4 H VAL 4 5.427 -1.318 2.808 23 HA VAL 4 HA VAL 4 6.162 -1.154 5.656 24 HB VAL 4 HB VAL 4 8.465 -0.424 4.985 25 HG11 VAL 4 HG11 VAL 4 9.300 -2.681 4.422 26 HG12 VAL 4 HG12 VAL 4 7.630 -3.185 4.127 27 HG13 VAL 4 HG13 VAL 4 8.125 -2.679 5.736 28 HG21 VAL 4 HG21 VAL 4 9.268 -0.952 2.718 29 HG22 VAL 4 HG22 VAL 4 7.994 0.269 2.690 30 HG23 VAL 4 HG23 VAL 4 7.626 -1.397 2.249 31 H CYS 5 H CYS 5 4.430 0.315 3.495 32 HA CYS 5 HA CYS 5 5.588 2.933 3.450 33 HB2 CYS 5 HB2 CYS 5 2.878 1.949 2.670 34 HB3 CYS 5 HB3 CYS 5 3.465 3.589 2.413 35 H GLY 6 H GLY 6 3.560 1.198 5.453 36 HA2 GLY 6 HA2 GLY 6 2.942 1.680 7.590 37 HA3 GLY 6 HA3 GLY 6 3.615 3.291 7.365 38 H GLU 7 H GLU 7 1.672 2.847 4.849 39 HA GLU 7 HA GLU 7 -0.654 3.852 6.353 40 HB2 GLU 7 HB2 GLU 7 -1.171 5.486 4.744 41 HB3 GLU 7 HB3 GLU 7 0.558 5.613 4.999 42 HG2 GLU 7 HG2 GLU 7 1.024 4.469 2.970 43 HG3 GLU 7 HG3 GLU 7 -0.670 4.088 2.736 44 H THR 8 H THR 8 -2.612 3.941 4.754 45 HA THR 8 HA THR 8 -2.863 1.334 3.494 46 HB THR 8 HB THR 8 -5.291 1.531 4.320 47 HG1 THR 8 HG1 THR 8 -4.147 3.023 6.402 48 HG21 THR 8 HG21 THR 8 -3.767 -0.151 5.166 49 HG22 THR 8 HG22 THR 8 -4.719 0.524 6.495 50 HG23 THR 8 HG23 THR 8 -3.042 1.027 6.264 51 H CYS 9 H CYS 9 -4.404 1.260 1.839 52 HA CYS 9 HA CYS 9 -5.156 3.832 0.649 53 HB2 CYS 9 HB2 CYS 9 -4.959 2.525 -1.510 54 HB3 CYS 9 HB3 CYS 9 -3.446 2.972 -0.740 55 H VAL 10 H VAL 10 -7.184 3.660 1.697 56 HA VAL 10 HA VAL 10 -8.767 1.298 1.373 57 HB VAL 10 HB VAL 10 -9.627 4.086 2.141 58 HG11 VAL 10 HG11 VAL 10 -11.601 2.992 3.169 59 HG12 VAL 10 HG12 VAL 10 -11.044 1.438 2.550 60 HG13 VAL 10 HG13 VAL 10 -11.533 2.708 1.429 61 HG21 VAL 10 HG21 VAL 10 -9.530 3.276 4.467 62 HG22 VAL 10 HG22 VAL 10 -7.957 3.234 3.666 63 HG23 VAL 10 HG23 VAL 10 -8.876 1.745 3.883 64 H GLY 11 H GLY 11 -8.397 4.303 -0.316 65 HA2 GLY 11 HA2 GLY 11 -10.543 3.702 -2.171 66 HA3 GLY 11 HA3 GLY 11 -9.525 5.139 -2.171 67 H GLY 12 H GLY 12 -7.179 3.144 -1.888 68 HA2 GLY 12 HA2 GLY 12 -6.184 1.507 -3.363 69 HA3 GLY 12 HA3 GLY 12 -7.240 2.115 -4.632 70 H THR 13 H THR 13 -5.806 4.542 -2.765 71 HA THR 13 HA THR 13 -3.595 4.841 -4.625 72 HB THR 13 HB THR 13 -5.435 7.099 -3.850 73 HG1 THR 13 HG1 THR 13 -5.521 5.289 -6.033 74 HG21 THR 13 HG21 THR 13 -4.275 8.318 -5.661 75 HG22 THR 13 HG22 THR 13 -3.272 6.899 -5.960 76 HG23 THR 13 HG23 THR 13 -3.142 7.761 -4.427 77 H CYS 14 H CYS 14 -1.872 5.215 -3.496 78 HA CYS 14 HA CYS 14 -2.078 5.709 -0.644 79 HB2 CYS 14 HB2 CYS 14 0.321 5.040 -2.336 80 HB3 CYS 14 HB3 CYS 14 0.256 5.064 -0.576 81 H ASN 15 H ASN 15 -0.989 7.337 0.439 82 HA ASN 15 HA ASN 15 -0.793 9.828 -0.946 83 HB2 ASN 15 HB2 ASN 15 -1.652 9.758 1.333 84 HB3 ASN 15 HB3 ASN 15 -0.169 9.013 1.902 85 HD21 ASN 15 HD21 ASN 15 1.614 10.321 2.326 86 HD22 ASN 15 HD22 ASN 15 1.525 12.039 2.293 87 H THR 16 H THR 16 1.462 7.784 0.839 88 HA THR 16 HA THR 16 3.829 9.124 0.449 89 HB THR 16 HB THR 16 3.597 6.105 0.443 90 HG1 THR 16 HG1 THR 16 2.402 6.954 2.201 91 HG21 THR 16 HG21 THR 16 5.830 7.021 0.000 92 HG22 THR 16 HG22 THR 16 5.768 6.233 1.577 93 HG23 THR 16 HG23 THR 16 5.723 7.994 1.466 94 HA PRO 17 HA PRO 17 4.265 8.713 -4.064 95 HB2 PRO 17 HB2 PRO 17 6.789 10.145 -3.482 96 HB3 PRO 17 HB3 PRO 17 5.499 10.590 -4.599 97 HG2 PRO 17 HG2 PRO 17 5.871 11.927 -2.315 98 HG3 PRO 17 HG3 PRO 17 4.248 11.629 -2.962 99 HD2 PRO 17 HD2 PRO 17 5.670 10.250 -0.721 100 HD3 PRO 17 HD3 PRO 17 3.964 10.716 -0.872 101 H GLY 18 H GLY 18 4.990 6.828 -4.739 102 HA2 GLY 18 HA2 GLY 18 6.954 5.510 -5.289 103 HA3 GLY 18 HA3 GLY 18 7.524 5.785 -3.642 104 H CYS 19 H CYS 19 4.447 5.473 -3.081 105 HA CYS 19 HA CYS 19 4.659 2.569 -2.844 106 HB2 CYS 19 HB2 CYS 19 2.750 4.387 -1.421 107 HB3 CYS 19 HB3 CYS 19 2.877 2.671 -1.228 108 H THR 20 H THR 20 2.889 1.310 -3.147 109 HA THR 20 HA THR 20 0.935 2.251 -5.071 110 HB THR 20 HB THR 20 1.258 -0.040 -6.083 111 HG1 THR 20 HG1 THR 20 3.854 -0.204 -5.389 112 HG21 THR 20 HG21 THR 20 3.181 0.653 -7.470 113 HG22 THR 20 HG22 THR 20 3.586 1.885 -6.278 114 HG23 THR 20 HG23 THR 20 2.086 2.009 -7.193 115 H CYS 21 H CYS 21 -1.010 1.065 -4.924 116 HA CYS 21 HA CYS 21 -1.501 -0.245 -2.368 117 HB2 CYS 21 HB2 CYS 21 -2.978 1.595 -3.319 118 HB3 CYS 21 HB3 CYS 21 -3.445 0.441 -4.569 119 H SER 22 H SER 22 0.102 -1.877 -3.745 120 HA SER 22 HA SER 22 -1.074 -3.513 -5.637 121 HB2 SER 22 HB2 SER 22 1.312 -3.899 -3.853 122 HB3 SER 22 HB3 SER 22 0.961 -4.710 -5.380 123 HG SER 22 HG SER 22 2.049 -2.237 -4.949 124 H TRP 23 H TRP 23 -1.180 -3.467 -2.160 125 HA TRP 23 HA TRP 23 -2.504 -6.067 -2.186 126 HB2 TRP 23 HB2 TRP 23 -0.236 -6.337 -1.260 127 HB3 TRP 23 HB3 TRP 23 -0.536 -5.043 -0.113 128 HD1 TRP 23 HD1 TRP 23 -1.503 -5.744 2.180 129 HE1 TRP 23 HE1 TRP 23 -2.293 -7.938 3.226 130 HE3 TRP 23 HE3 TRP 23 -1.527 -8.640 -2.018 131 HZ2 TRP 23 HZ2 TRP 23 -2.861 -10.586 2.370 132 HZ3 TRP 23 HZ3 TRP 23 -2.212 -10.997 -1.821 133 HH2 TRP 23 HH2 TRP 23 -2.866 -11.942 0.330 134 H TRP 24 H TRP 24 -4.431 -4.888 -2.310 135 HA TRP 24 HA TRP 24 -4.992 -2.616 -0.746 136 HB2 TRP 24 HB2 TRP 24 -6.127 -3.120 -2.900 137 HB3 TRP 24 HB3 TRP 24 -6.956 -4.470 -2.133 138 HD1 TRP 24 HD1 TRP 24 -6.838 -0.623 -2.056 139 HE1 TRP 24 HE1 TRP 24 -9.096 0.245 -1.091 140 HE3 TRP 24 HE3 TRP 24 -9.002 -5.077 -0.845 141 HZ2 TRP 24 HZ2 TRP 24 -11.434 -0.814 -0.011 142 HZ3 TRP 24 HZ3 TRP 24 -11.260 -5.063 0.137 143 HH2 TRP 24 HH2 TRP 24 -12.440 -2.971 0.545 144 HA PRO 25 HA PRO 25 -6.119 -1.486 0.402 145 HB2 PRO 25 HB2 PRO 25 -6.968 -0.569 2.799 146 HB3 PRO 25 HB3 PRO 25 -8.060 -1.254 1.594 147 HG2 PRO 25 HG2 PRO 25 -7.327 -2.336 4.189 148 HG3 PRO 25 HG3 PRO 25 -8.545 -2.924 3.052 149 HD2 PRO 25 HD2 PRO 25 -5.759 -3.818 3.451 150 HD3 PRO 25 HD3 PRO 25 -7.126 -4.692 2.731 151 H VAL 26 H VAL 26 -3.655 -2.911 1.363 152 HA VAL 26 HA VAL 26 -2.544 -0.932 3.228 153 HB VAL 26 HB VAL 26 -1.402 -3.630 2.440 154 HG11 VAL 26 HG11 VAL 26 0.291 -2.068 3.204 155 HG12 VAL 26 HG12 VAL 26 0.061 -3.352 4.389 156 HG13 VAL 26 HG13 VAL 26 -0.633 -1.755 4.673 157 HG21 VAL 26 HG21 VAL 26 -3.488 -3.957 3.644 158 HG22 VAL 26 HG22 VAL 26 -2.916 -2.903 4.939 159 HG23 VAL 26 HG23 VAL 26 -2.114 -4.444 4.637 160 H CYS 27 H CYS 27 -0.731 0.273 2.570 161 HA CYS 27 HA CYS 27 -0.195 0.092 -0.235 162 HB2 CYS 27 HB2 CYS 27 0.864 1.977 1.793 163 HB3 CYS 27 HB3 CYS 27 1.177 2.029 0.093 164 H THR 28 H THR 28 1.657 -0.085 -1.020 165 HA THR 28 HA THR 28 3.683 -1.570 0.497 166 HB THR 28 HB THR 28 3.856 -3.094 -1.507 167 HG1 THR 28 HG1 THR 28 1.766 -1.472 -2.256 168 HG21 THR 28 HG21 THR 28 2.880 -3.763 0.569 169 HG22 THR 28 HG22 THR 28 1.963 -4.487 -0.772 170 HG23 THR 28 HG23 THR 28 1.327 -3.074 0.107 171 H ARG 29 H ARG 29 5.745 -1.553 -0.447 172 HA ARG 29 HA ARG 29 6.169 0.843 -1.962 173 HB2 ARG 29 HB2 ARG 29 7.544 -0.130 0.076 174 HB3 ARG 29 HB3 ARG 29 8.420 -0.964 -1.200 175 HG2 ARG 29 HG2 ARG 29 9.620 0.989 -0.840 176 HG3 ARG 29 HG3 ARG 29 8.652 1.338 -2.280 177 HD2 ARG 29 HD2 ARG 29 8.298 3.258 -0.942 178 HD3 ARG 29 HD3 ARG 29 6.909 2.197 -0.630 179 HE ARG 29 HE ARG 29 8.673 1.473 1.280 180 HH11 ARG 29 HH11 ARG 29 7.392 4.652 0.420 181 HH12 ARG 29 HH12 ARG 29 7.428 5.239 2.023 182 HH21 ARG 29 HH21 ARG 29 8.690 2.305 3.490 183 HH22 ARG 29 HH22 ARG 29 8.134 3.872 3.780 184 H ASN 30 H ASN 30 7.498 -2.491 -2.258 185 HA ASN 30 HA ASN 30 7.468 -2.254 -5.129 186 HB2 ASN 30 HB2 ASN 30 9.349 -3.811 -4.926 187 HB3 ASN 30 HB3 ASN 30 9.749 -2.245 -4.205 188 HD21 ASN 30 HD21 ASN 30 9.305 -5.613 -3.732 189 HD22 ASN 30 HD22 ASN 30 9.811 -5.713 -2.092 Start of MODEL 4 1 H1 GLY 1 H GLY 1 5.558 -3.239 -2.811 2 HA2 GLY 1 HA2 GLY 1 4.444 -5.194 -2.353 3 HA3 GLY 1 HA3 GLY 1 5.876 -6.118 -2.874 4 H LEU 2 H LEU 2 6.557 -3.480 -0.905 5 HA LEU 2 HA LEU 2 6.845 -5.260 1.413 6 HB2 LEU 2 HB2 LEU 2 8.979 -4.616 0.332 7 HB3 LEU 2 HB3 LEU 2 8.587 -2.934 0.581 8 HG LEU 2 HG LEU 2 8.663 -3.291 3.027 9 HD11 LEU 2 HD11 LEU 2 9.637 -6.046 2.292 10 HD12 LEU 2 HD12 LEU 2 8.128 -5.654 3.120 11 HD13 LEU 2 HD13 LEU 2 9.672 -5.341 3.907 12 HD21 LEU 2 HD21 LEU 2 11.096 -3.484 3.187 13 HD22 LEU 2 HD22 LEU 2 10.614 -2.453 1.839 14 HD23 LEU 2 HD23 LEU 2 11.155 -4.103 1.537 15 HA PRO 3 HA PRO 3 4.085 -2.014 2.832 16 HB2 PRO 3 HB2 PRO 3 3.610 -3.489 5.223 17 HB3 PRO 3 HB3 PRO 3 2.511 -3.222 3.865 18 HG2 PRO 3 HG2 PRO 3 3.632 -5.679 4.527 19 HG3 PRO 3 HG3 PRO 3 2.995 -5.260 2.932 20 HD2 PRO 3 HD2 PRO 3 5.817 -5.369 3.880 21 HD3 PRO 3 HD3 PRO 3 5.132 -5.718 2.276 22 H VAL 4 H VAL 4 6.112 -0.797 3.107 23 HA VAL 4 HA VAL 4 6.476 -0.371 5.983 24 HB VAL 4 HB VAL 4 8.850 0.401 5.530 25 HG11 VAL 4 HG11 VAL 4 8.224 -2.494 4.964 26 HG12 VAL 4 HG12 VAL 4 8.455 -1.757 6.550 27 HG13 VAL 4 HG13 VAL 4 9.807 -1.869 5.423 28 HG21 VAL 4 HG21 VAL 4 9.954 -0.418 3.503 29 HG22 VAL 4 HG22 VAL 4 8.670 0.737 3.136 30 HG23 VAL 4 HG23 VAL 4 8.398 -0.988 2.895 31 H CYS 5 H CYS 5 4.765 0.749 3.914 32 HA CYS 5 HA CYS 5 5.663 3.475 3.730 33 HB2 CYS 5 HB2 CYS 5 2.960 2.323 3.014 34 HB3 CYS 5 HB3 CYS 5 3.588 3.892 2.544 35 H GLY 6 H GLY 6 3.609 1.445 5.486 36 HA2 GLY 6 HA2 GLY 6 2.823 1.650 7.634 37 HA3 GLY 6 HA3 GLY 6 3.388 3.319 7.629 38 H GLU 7 H GLU 7 1.706 3.027 4.924 39 HA GLU 7 HA GLU 7 -0.750 3.879 6.285 40 HB2 GLU 7 HB2 GLU 7 -1.283 5.357 4.465 41 HB3 GLU 7 HB3 GLU 7 0.351 5.684 5.019 42 HG2 GLU 7 HG2 GLU 7 1.225 4.411 3.166 43 HG3 GLU 7 HG3 GLU 7 -0.398 4.090 2.606 44 H THR 8 H THR 8 -2.599 3.837 4.638 45 HA THR 8 HA THR 8 -2.780 1.149 3.509 46 HB THR 8 HB THR 8 -5.253 1.380 4.328 47 HG1 THR 8 HG1 THR 8 -5.170 3.393 5.234 48 HG21 THR 8 HG21 THR 8 -3.012 0.666 6.220 49 HG22 THR 8 HG22 THR 8 -3.795 -0.408 5.045 50 HG23 THR 8 HG23 THR 8 -4.713 0.222 6.414 51 H CYS 9 H CYS 9 -4.490 0.973 1.933 52 HA CYS 9 HA CYS 9 -5.166 3.533 0.744 53 HB2 CYS 9 HB2 CYS 9 -5.193 2.215 -1.415 54 HB3 CYS 9 HB3 CYS 9 -3.607 2.554 -0.757 55 H VAL 10 H VAL 10 -7.153 3.696 1.575 56 HA VAL 10 HA VAL 10 -8.896 1.412 1.642 57 HB VAL 10 HB VAL 10 -9.390 4.323 2.212 58 HG11 VAL 10 HG11 VAL 10 -11.488 3.185 1.613 59 HG12 VAL 10 HG12 VAL 10 -11.473 3.591 3.329 60 HG13 VAL 10 HG13 VAL 10 -11.153 1.935 2.813 61 HG21 VAL 10 HG21 VAL 10 -8.951 2.008 4.086 62 HG22 VAL 10 HG22 VAL 10 -9.349 3.655 4.579 63 HG23 VAL 10 HG23 VAL 10 -7.824 3.322 3.755 64 H GLY 11 H GLY 11 -8.508 4.327 -0.238 65 HA2 GLY 11 HA2 GLY 11 -10.630 3.553 -2.064 66 HA3 GLY 11 HA3 GLY 11 -9.693 5.045 -2.124 67 H GLY 12 H GLY 12 -7.351 3.017 -1.657 68 HA2 GLY 12 HA2 GLY 12 -6.225 1.402 -3.044 69 HA3 GLY 12 HA3 GLY 12 -7.226 1.945 -4.379 70 H THR 13 H THR 13 -5.957 4.477 -2.525 71 HA THR 13 HA THR 13 -3.804 4.887 -4.433 72 HB THR 13 HB THR 13 -5.667 6.999 -3.351 73 HG1 THR 13 HG1 THR 13 -5.921 5.300 -5.494 74 HG21 THR 13 HG21 THR 13 -3.564 7.114 -5.529 75 HG22 THR 13 HG22 THR 13 -3.413 7.808 -3.917 76 HG23 THR 13 HG23 THR 13 -4.608 8.451 -5.043 77 H CYS 14 H CYS 14 -2.026 5.306 -3.433 78 HA CYS 14 HA CYS 14 -2.063 5.773 -0.539 79 HB2 CYS 14 HB2 CYS 14 0.234 4.813 -2.251 80 HB3 CYS 14 HB3 CYS 14 0.149 4.825 -0.492 81 H ASN 15 H ASN 15 -0.444 7.232 0.310 82 HA ASN 15 HA ASN 15 -0.224 9.594 -1.365 83 HB2 ASN 15 HB2 ASN 15 0.446 9.210 1.547 84 HB3 ASN 15 HB3 ASN 15 0.471 10.737 0.679 85 HD21 ASN 15 HD21 ASN 15 -1.463 8.288 2.104 86 HD22 ASN 15 HD22 ASN 15 -2.950 9.149 2.122 87 H THR 16 H THR 16 1.897 7.715 0.803 88 HA THR 16 HA THR 16 4.278 8.974 0.408 89 HB THR 16 HB THR 16 3.956 5.975 0.680 90 HG1 THR 16 HG1 THR 16 2.834 7.000 2.345 91 HG21 THR 16 HG21 THR 16 6.149 6.088 1.803 92 HG22 THR 16 HG22 THR 16 6.225 7.820 1.479 93 HG23 THR 16 HG23 THR 16 6.256 6.673 0.142 94 HA PRO 17 HA PRO 17 5.077 8.483 -4.002 95 HB2 PRO 17 HB2 PRO 17 7.729 9.441 -3.074 96 HB3 PRO 17 HB3 PRO 17 6.715 10.064 -4.383 97 HG2 PRO 17 HG2 PRO 17 6.926 11.393 -2.097 98 HG3 PRO 17 HG3 PRO 17 5.364 11.267 -2.928 99 HD2 PRO 17 HD2 PRO 17 6.351 9.798 -0.522 100 HD3 PRO 17 HD3 PRO 17 4.735 10.448 -0.893 101 H GLY 18 H GLY 18 5.453 6.515 -4.681 102 HA2 GLY 18 HA2 GLY 18 7.115 4.897 -5.314 103 HA3 GLY 18 HA3 GLY 18 7.852 5.124 -3.728 104 H CYS 19 H CYS 19 4.690 5.198 -3.079 105 HA CYS 19 HA CYS 19 4.640 2.303 -2.683 106 HB2 CYS 19 HB2 CYS 19 2.879 4.319 -1.348 107 HB3 CYS 19 HB3 CYS 19 2.967 2.624 -1.024 108 H THR 20 H THR 20 2.852 1.222 -3.087 109 HA THR 20 HA THR 20 0.853 2.437 -4.798 110 HB THR 20 HB THR 20 1.026 0.224 -6.062 111 HG1 THR 20 HG1 THR 20 2.479 -1.026 -5.197 112 HG21 THR 20 HG21 THR 20 2.774 1.147 -7.588 113 HG22 THR 20 HG22 THR 20 3.154 2.356 -6.360 114 HG23 THR 20 HG23 THR 20 1.565 2.338 -7.123 115 H CYS 21 H CYS 21 -1.118 1.322 -4.764 116 HA CYS 21 HA CYS 21 -1.564 -0.335 -2.432 117 HB2 CYS 21 HB2 CYS 21 -3.154 1.525 -3.060 118 HB3 CYS 21 HB3 CYS 21 -3.532 0.604 -4.519 119 H SER 22 H SER 22 -0.011 -1.826 -3.658 120 HA SER 22 HA SER 22 -0.909 -3.299 -5.809 121 HB2 SER 22 HB2 SER 22 1.138 -3.869 -3.692 122 HB3 SER 22 HB3 SER 22 1.053 -4.542 -5.325 123 HG SER 22 HG SER 22 1.962 -2.843 -6.071 124 H TRP 23 H TRP 23 -1.346 -3.545 -2.307 125 HA TRP 23 HA TRP 23 -3.011 -5.850 -2.816 126 HB2 TRP 23 HB2 TRP 23 -0.830 -6.686 -1.943 127 HB3 TRP 23 HB3 TRP 23 -1.060 -5.704 -0.497 128 HD1 TRP 23 HD1 TRP 23 -1.998 -7.053 1.468 129 HE1 TRP 23 HE1 TRP 23 -3.543 -9.151 1.717 130 HE3 TRP 23 HE3 TRP 23 -2.911 -8.005 -3.464 131 HZ2 TRP 23 HZ2 TRP 23 -4.926 -10.909 0.039 132 HZ3 TRP 23 HZ3 TRP 23 -4.347 -9.903 -4.057 133 HH2 TRP 23 HH2 TRP 23 -5.328 -11.321 -2.342 134 H TRP 24 H TRP 24 -4.707 -4.455 -2.734 135 HA TRP 24 HA TRP 24 -5.265 -2.513 -0.825 136 HB2 TRP 24 HB2 TRP 24 -6.457 -2.769 -3.003 137 HB3 TRP 24 HB3 TRP 24 -7.241 -4.213 -2.382 138 HD1 TRP 24 HD1 TRP 24 -7.254 -0.404 -2.001 139 HE1 TRP 24 HE1 TRP 24 -9.488 0.315 -0.861 140 HE3 TRP 24 HE3 TRP 24 -9.155 -5.020 -0.902 141 HZ2 TRP 24 HZ2 TRP 24 -11.730 -0.922 0.295 142 HZ3 TRP 24 HZ3 TRP 24 -11.342 -5.167 0.214 143 HH2 TRP 24 HH2 TRP 24 -12.599 -3.157 0.797 144 HA PRO 25 HA PRO 25 -6.489 -1.575 0.471 145 HB2 PRO 25 HB2 PRO 25 -7.133 -1.201 3.177 146 HB3 PRO 25 HB3 PRO 25 -8.271 -1.291 1.833 147 HG2 PRO 25 HG2 PRO 25 -8.095 -3.142 3.923 148 HG3 PRO 25 HG3 PRO 25 -8.900 -3.406 2.371 149 HD2 PRO 25 HD2 PRO 25 -6.141 -4.203 3.222 150 HD3 PRO 25 HD3 PRO 25 -7.344 -5.124 2.287 151 H VAL 26 H VAL 26 -3.962 -3.155 1.241 152 HA VAL 26 HA VAL 26 -2.827 -1.267 3.178 153 HB VAL 26 HB VAL 26 -1.779 -4.003 2.372 154 HG11 VAL 26 HG11 VAL 26 -0.924 -2.170 4.611 155 HG12 VAL 26 HG12 VAL 26 -0.016 -2.513 3.141 156 HG13 VAL 26 HG13 VAL 26 -0.301 -3.795 4.319 157 HG21 VAL 26 HG21 VAL 26 -3.879 -4.245 3.577 158 HG22 VAL 26 HG22 VAL 26 -3.277 -3.207 4.869 159 HG23 VAL 26 HG23 VAL 26 -2.531 -4.779 4.582 160 H CYS 27 H CYS 27 -1.061 0.002 2.525 161 HA CYS 27 HA CYS 27 -0.450 -0.164 -0.280 162 HB2 CYS 27 HB2 CYS 27 0.579 1.716 1.808 163 HB3 CYS 27 HB3 CYS 27 0.898 1.788 0.110 164 H THR 28 H THR 28 1.606 -0.243 -0.944 165 HA THR 28 HA THR 28 3.560 -1.440 0.839 166 HB THR 28 HB THR 28 4.055 -3.131 -1.025 167 HG1 THR 28 HG1 THR 28 1.784 -1.942 -1.949 168 HG21 THR 28 HG21 THR 28 3.161 -3.785 1.130 169 HG22 THR 28 HG22 THR 28 2.418 -4.754 -0.151 170 HG23 THR 28 HG23 THR 28 1.523 -3.417 0.592 171 H ARG 29 H ARG 29 5.681 -1.536 -0.197 172 HA ARG 29 HA ARG 29 6.109 0.839 -1.703 173 HB2 ARG 29 HB2 ARG 29 7.837 -1.201 -0.379 174 HB3 ARG 29 HB3 ARG 29 8.547 0.019 -1.380 175 HG2 ARG 29 HG2 ARG 29 6.907 0.518 1.063 176 HG3 ARG 29 HG3 ARG 29 8.673 0.487 0.972 177 HD2 ARG 29 HD2 ARG 29 6.861 2.358 -0.524 178 HD3 ARG 29 HD3 ARG 29 7.779 2.770 0.919 179 HE ARG 29 HE ARG 29 9.609 1.809 -0.929 180 HH11 ARG 29 HH11 ARG 29 7.404 4.538 -0.652 181 HH12 ARG 29 HH12 ARG 29 8.317 5.602 -1.623 182 HH21 ARG 29 HH21 ARG 29 10.916 3.260 -2.260 183 HH22 ARG 29 HH22 ARG 29 10.360 4.850 -2.561 184 H ASN 30 H ASN 30 7.617 -2.324 -2.021 185 HA ASN 30 HA ASN 30 7.207 -2.364 -4.879 186 HB2 ASN 30 HB2 ASN 30 9.424 -3.510 -4.750 187 HB3 ASN 30 HB3 ASN 30 9.514 -1.767 -4.438 188 HD21 ASN 30 HD21 ASN 30 9.947 -4.946 -3.183 189 HD22 ASN 30 HD22 ASN 30 10.648 -4.499 -1.677 Start of MODEL 5 1 H1 GLY 1 H GLY 1 5.100 -2.917 -2.945 2 HA2 GLY 1 HA2 GLY 1 3.860 -4.831 -2.623 3 HA3 GLY 1 HA3 GLY 1 5.197 -5.798 -3.298 4 H LEU 2 H LEU 2 6.011 -3.374 -1.105 5 HA LEU 2 HA LEU 2 6.414 -5.374 1.040 6 HB2 LEU 2 HB2 LEU 2 8.484 -4.603 -0.164 7 HB3 LEU 2 HB3 LEU 2 8.117 -2.983 0.387 8 HG LEU 2 HG LEU 2 8.415 -3.707 2.716 9 HD11 LEU 2 HD11 LEU 2 7.848 -6.070 2.473 10 HD12 LEU 2 HD12 LEU 2 9.444 -5.868 3.192 11 HD13 LEU 2 HD13 LEU 2 9.295 -6.320 1.499 12 HD21 LEU 2 HD21 LEU 2 10.732 -4.296 0.884 13 HD22 LEU 2 HD22 LEU 2 10.845 -3.944 2.607 14 HD23 LEU 2 HD23 LEU 2 10.257 -2.711 1.492 15 HA PRO 3 HA PRO 3 3.809 -2.250 3.018 16 HB2 PRO 3 HB2 PRO 3 3.281 -3.615 5.287 17 HB3 PRO 3 HB3 PRO 3 2.425 -3.900 3.763 18 HG2 PRO 3 HG2 PRO 3 4.632 -5.471 5.023 19 HG3 PRO 3 HG3 PRO 3 3.238 -6.053 4.100 20 HD2 PRO 3 HD2 PRO 3 5.782 -5.805 3.095 21 HD3 PRO 3 HD3 PRO 3 4.315 -5.772 2.098 22 H VAL 4 H VAL 4 5.731 -1.003 3.158 23 HA VAL 4 HA VAL 4 6.580 -0.673 5.958 24 HB VAL 4 HB VAL 4 8.827 0.124 5.149 25 HG11 VAL 4 HG11 VAL 4 9.757 -2.123 4.710 26 HG12 VAL 4 HG12 VAL 4 8.110 -2.731 4.509 27 HG13 VAL 4 HG13 VAL 4 8.630 -2.098 6.064 28 HG21 VAL 4 HG21 VAL 4 7.920 -1.058 2.522 29 HG22 VAL 4 HG22 VAL 4 9.560 -0.532 2.896 30 HG23 VAL 4 HG23 VAL 4 8.248 0.647 2.843 31 H CYS 5 H CYS 5 4.636 0.567 3.993 32 HA CYS 5 HA CYS 5 5.637 3.273 3.827 33 HB2 CYS 5 HB2 CYS 5 3.061 2.081 2.835 34 HB3 CYS 5 HB3 CYS 5 3.575 3.744 2.595 35 H GLY 6 H GLY 6 3.535 1.375 5.636 36 HA2 GLY 6 HA2 GLY 6 2.695 1.782 7.736 37 HA3 GLY 6 HA3 GLY 6 3.384 3.398 7.606 38 H GLU 7 H GLU 7 1.607 2.859 4.948 39 HA GLU 7 HA GLU 7 -0.755 4.024 6.268 40 HB2 GLU 7 HB2 GLU 7 -1.214 5.456 4.451 41 HB3 GLU 7 HB3 GLU 7 0.492 5.651 4.817 42 HG2 GLU 7 HG2 GLU 7 1.040 4.183 2.967 43 HG3 GLU 7 HG3 GLU 7 -0.660 3.983 2.615 44 H THR 8 H THR 8 -2.653 3.971 4.753 45 HA THR 8 HA THR 8 -2.976 1.301 3.622 46 HB THR 8 HB THR 8 -5.436 1.682 4.457 47 HG1 THR 8 HG1 THR 8 -4.037 3.046 6.482 48 HG21 THR 8 HG21 THR 8 -3.190 0.865 6.317 49 HG22 THR 8 HG22 THR 8 -4.073 -0.189 5.209 50 HG23 THR 8 HG23 THR 8 -4.898 0.529 6.591 51 H CYS 9 H CYS 9 -4.574 1.172 1.989 52 HA CYS 9 HA CYS 9 -5.182 3.701 0.687 53 HB2 CYS 9 HB2 CYS 9 -4.984 2.321 -1.450 54 HB3 CYS 9 HB3 CYS 9 -3.483 2.763 -0.654 55 H VAL 10 H VAL 10 -7.300 3.595 1.690 56 HA VAL 10 HA VAL 10 -8.945 1.312 1.046 57 HB VAL 10 HB VAL 10 -9.810 3.979 2.201 58 HG11 VAL 10 HG11 VAL 10 -11.678 2.686 1.287 59 HG12 VAL 10 HG12 VAL 10 -11.766 2.724 3.049 60 HG13 VAL 10 HG13 VAL 10 -11.178 1.282 2.226 61 HG21 VAL 10 HG21 VAL 10 -9.723 2.887 4.396 62 HG22 VAL 10 HG22 VAL 10 -8.134 2.926 3.626 63 HG23 VAL 10 HG23 VAL 10 -9.072 1.434 3.641 64 H GLY 11 H GLY 11 -8.169 4.354 -0.285 65 HA2 GLY 11 HA2 GLY 11 -10.323 4.292 -2.236 66 HA3 GLY 11 HA3 GLY 11 -9.068 5.521 -2.093 67 H GLY 12 H GLY 12 -7.196 3.061 -1.836 68 HA2 GLY 12 HA2 GLY 12 -6.271 1.455 -3.307 69 HA3 GLY 12 HA3 GLY 12 -7.277 2.118 -4.589 70 H THR 13 H THR 13 -5.649 4.436 -2.717 71 HA THR 13 HA THR 13 -3.420 4.548 -4.559 72 HB THR 13 HB THR 13 -5.037 6.968 -3.783 73 HG1 THR 13 HG1 THR 13 -5.271 5.197 -5.989 74 HG21 THR 13 HG21 THR 13 -2.956 6.479 -5.912 75 HG22 THR 13 HG22 THR 13 -2.705 7.361 -4.409 76 HG23 THR 13 HG23 THR 13 -3.799 8.004 -5.638 77 H CYS 14 H CYS 14 -1.658 4.947 -3.475 78 HA CYS 14 HA CYS 14 -1.819 5.561 -0.635 79 HB2 CYS 14 HB2 CYS 14 0.557 4.704 -2.287 80 HB3 CYS 14 HB3 CYS 14 0.458 4.771 -0.528 81 H ASN 15 H ASN 15 -0.354 7.125 0.245 82 HA ASN 15 HA ASN 15 -0.257 9.470 -1.475 83 HB2 ASN 15 HB2 ASN 15 -0.037 9.116 1.508 84 HB3 ASN 15 HB3 ASN 15 0.113 10.672 0.692 85 HD21 ASN 15 HD21 ASN 15 -2.016 8.022 1.411 86 HD22 ASN 15 HD22 ASN 15 -3.500 8.863 1.142 87 H THR 16 H THR 16 1.803 7.690 0.767 88 HA THR 16 HA THR 16 4.143 9.117 0.586 89 HB THR 16 HB THR 16 3.992 6.099 0.747 90 HG1 THR 16 HG1 THR 16 2.552 6.911 2.195 91 HG21 THR 16 HG21 THR 16 6.251 7.047 0.595 92 HG22 THR 16 HG22 THR 16 5.964 6.366 2.196 93 HG23 THR 16 HG23 THR 16 5.902 8.112 1.954 94 HA PRO 17 HA PRO 17 5.160 8.683 -3.811 95 HB2 PRO 17 HB2 PRO 17 7.790 9.617 -2.773 96 HB3 PRO 17 HB3 PRO 17 6.827 10.261 -4.106 97 HG2 PRO 17 HG2 PRO 17 6.965 11.558 -1.791 98 HG3 PRO 17 HG3 PRO 17 5.440 11.468 -2.689 99 HD2 PRO 17 HD2 PRO 17 6.295 9.959 -0.258 100 HD3 PRO 17 HD3 PRO 17 4.702 10.622 -0.686 101 H GLY 18 H GLY 18 5.586 6.722 -4.518 102 HA2 GLY 18 HA2 GLY 18 7.253 5.090 -5.055 103 HA3 GLY 18 HA3 GLY 18 7.926 5.313 -3.442 104 H CYS 19 H CYS 19 4.685 5.343 -2.980 105 HA CYS 19 HA CYS 19 4.744 2.458 -2.510 106 HB2 CYS 19 HB2 CYS 19 2.886 4.438 -1.238 107 HB3 CYS 19 HB3 CYS 19 3.014 2.745 -0.878 108 H THR 20 H THR 20 2.866 1.258 -2.752 109 HA THR 20 HA THR 20 1.031 2.111 -4.829 110 HB THR 20 HB THR 20 1.440 -0.255 -5.711 111 HG1 THR 20 HG1 THR 20 4.024 0.105 -4.584 112 HG21 THR 20 HG21 THR 20 3.580 1.848 -6.074 113 HG22 THR 20 HG22 THR 20 2.060 1.759 -6.964 114 HG23 THR 20 HG23 THR 20 3.272 0.495 -7.164 115 H CYS 21 H CYS 21 -0.905 0.816 -4.798 116 HA CYS 21 HA CYS 21 -1.407 -0.466 -2.230 117 HB2 CYS 21 HB2 CYS 21 -2.958 1.369 -3.115 118 HB3 CYS 21 HB3 CYS 21 -3.372 0.248 -4.413 119 H SER 22 H SER 22 -0.326 -2.388 -2.693 120 HA SER 22 HA SER 22 -1.083 -3.952 -4.999 121 HB2 SER 22 HB2 SER 22 1.246 -4.050 -4.087 122 HB3 SER 22 HB3 SER 22 0.616 -4.766 -2.610 123 HG SER 22 HG SER 22 0.237 -5.900 -5.174 124 H TRP 23 H TRP 23 -1.359 -4.403 -1.473 125 HA TRP 23 HA TRP 23 -3.579 -6.224 -1.995 126 HB2 TRP 23 HB2 TRP 23 -1.806 -5.998 0.450 127 HB3 TRP 23 HB3 TRP 23 -3.168 -7.099 0.288 128 HD1 TRP 23 HD1 TRP 23 0.488 -6.858 -0.359 129 HE1 TRP 23 HE1 TRP 23 1.304 -8.927 -1.639 130 HE3 TRP 23 HE3 TRP 23 -4.038 -8.817 -1.675 131 HZ2 TRP 23 HZ2 TRP 23 0.165 -11.121 -3.025 132 HZ3 TRP 23 HZ3 TRP 23 -4.087 -10.900 -2.976 133 HH2 TRP 23 HH2 TRP 23 -2.029 -12.017 -3.632 134 H TRP 24 H TRP 24 -5.244 -4.894 -2.077 135 HA TRP 24 HA TRP 24 -5.550 -2.559 -0.562 136 HB2 TRP 24 HB2 TRP 24 -6.679 -3.131 -2.728 137 HB3 TRP 24 HB3 TRP 24 -7.689 -4.262 -1.837 138 HD1 TRP 24 HD1 TRP 24 -7.164 -0.531 -2.436 139 HE1 TRP 24 HE1 TRP 24 -9.299 0.735 -1.621 140 HE3 TRP 24 HE3 TRP 24 -9.655 -4.392 -0.210 141 HZ2 TRP 24 HZ2 TRP 24 -11.665 0.161 -0.255 142 HZ3 TRP 24 HZ3 TRP 24 -11.840 -3.948 0.824 143 HH2 TRP 24 HH2 TRP 24 -12.819 -1.720 0.799 144 HA PRO 25 HA PRO 25 -6.599 -1.362 0.554 145 HB2 PRO 25 HB2 PRO 25 -7.494 -0.254 2.771 146 HB3 PRO 25 HB3 PRO 25 -8.599 -1.108 1.686 147 HG2 PRO 25 HG2 PRO 25 -7.563 -1.920 4.335 148 HG3 PRO 25 HG3 PRO 25 -9.072 -2.377 3.531 149 HD2 PRO 25 HD2 PRO 25 -6.580 -3.835 3.616 150 HD3 PRO 25 HD3 PRO 25 -8.113 -4.307 2.852 151 H VAL 26 H VAL 26 -4.230 -2.934 1.623 152 HA VAL 26 HA VAL 26 -3.143 -0.818 3.337 153 HB VAL 26 HB VAL 26 -3.125 -3.051 4.468 154 HG11 VAL 26 HG11 VAL 26 -1.218 -3.884 2.300 155 HG12 VAL 26 HG12 VAL 26 -2.846 -4.510 2.556 156 HG13 VAL 26 HG13 VAL 26 -1.584 -4.811 3.754 157 HG21 VAL 26 HG21 VAL 26 -0.764 -3.032 5.197 158 HG22 VAL 26 HG22 VAL 26 -1.454 -1.408 5.123 159 HG23 VAL 26 HG23 VAL 26 -0.377 -1.965 3.848 160 H CYS 27 H CYS 27 -1.120 0.105 2.836 161 HA CYS 27 HA CYS 27 -0.562 -0.155 0.038 162 HB2 CYS 27 HB2 CYS 27 0.439 1.750 2.108 163 HB3 CYS 27 HB3 CYS 27 1.017 1.697 0.468 164 H THR 28 H THR 28 1.538 -0.131 -0.624 165 HA THR 28 HA THR 28 3.469 -1.589 0.975 166 HB THR 28 HB THR 28 3.830 -3.003 -1.155 167 HG1 THR 28 HG1 THR 28 1.714 -1.597 -1.917 168 HG21 THR 28 HG21 THR 28 2.246 -4.711 -0.370 169 HG22 THR 28 HG22 THR 28 1.449 -3.471 0.629 170 HG23 THR 28 HG23 THR 28 3.132 -3.919 0.939 171 H ARG 29 H ARG 29 5.549 -1.586 -0.185 172 HA ARG 29 HA ARG 29 5.901 0.959 -1.444 173 HB2 ARG 29 HB2 ARG 29 7.425 -0.119 0.348 174 HB3 ARG 29 HB3 ARG 29 8.059 -1.099 -0.960 175 HG2 ARG 29 HG2 ARG 29 9.490 0.656 -0.594 176 HG3 ARG 29 HG3 ARG 29 8.650 0.940 -2.124 177 HD2 ARG 29 HD2 ARG 29 7.161 2.469 -1.091 178 HD3 ARG 29 HD3 ARG 29 7.807 2.097 0.499 179 HE ARG 29 HE ARG 29 9.924 2.722 -1.014 180 HH11 ARG 29 HH11 ARG 29 7.043 4.483 0.072 181 HH12 ARG 29 HH12 ARG 29 7.785 6.024 0.016 182 HH21 ARG 29 HH21 ARG 29 10.923 4.916 -1.087 183 HH22 ARG 29 HH22 ARG 29 10.013 6.267 -0.611 184 H ASN 30 H ASN 30 7.277 -2.245 -2.212 185 HA ASN 30 HA ASN 30 6.671 -1.932 -5.005 186 HB2 ASN 30 HB2 ASN 30 8.784 -3.159 -5.244 187 HB3 ASN 30 HB3 ASN 30 9.071 -1.539 -4.585 188 HD21 ASN 30 HD21 ASN 30 9.515 -4.891 -4.226 189 HD22 ASN 30 HD22 ASN 30 10.238 -4.886 -2.668 Start of MODEL 6 1 H1 GLY 1 H GLY 1 5.210 -2.973 -3.266 2 HA2 GLY 1 HA2 GLY 1 3.692 -4.725 -3.128 3 HA3 GLY 1 HA3 GLY 1 4.965 -5.843 -3.703 4 H LEU 2 H LEU 2 5.956 -3.533 -1.499 5 HA LEU 2 HA LEU 2 6.040 -5.531 0.675 6 HB2 LEU 2 HB2 LEU 2 8.227 -4.932 -0.369 7 HB3 LEU 2 HB3 LEU 2 7.942 -3.265 0.088 8 HG LEU 2 HG LEU 2 8.025 -3.913 2.460 9 HD11 LEU 2 HD11 LEU 2 8.769 -6.624 1.380 10 HD12 LEU 2 HD12 LEU 2 7.297 -6.222 2.267 11 HD13 LEU 2 HD13 LEU 2 8.862 -6.128 3.067 12 HD21 LEU 2 HD21 LEU 2 10.031 -3.102 1.343 13 HD22 LEU 2 HD22 LEU 2 10.424 -4.743 0.833 14 HD23 LEU 2 HD23 LEU 2 10.437 -4.326 2.546 15 HA PRO 3 HA PRO 3 3.441 -2.267 2.422 16 HB2 PRO 3 HB2 PRO 3 2.600 -3.591 4.588 17 HB3 PRO 3 HB3 PRO 3 1.922 -3.860 2.973 18 HG2 PRO 3 HG2 PRO 3 3.880 -5.513 4.514 19 HG3 PRO 3 HG3 PRO 3 2.592 -6.041 3.420 20 HD2 PRO 3 HD2 PRO 3 5.261 -5.900 2.747 21 HD3 PRO 3 HD3 PRO 3 3.928 -5.850 1.577 22 H VAL 4 H VAL 4 5.537 -1.216 2.780 23 HA VAL 4 HA VAL 4 6.111 -1.034 5.663 24 HB VAL 4 HB VAL 4 8.458 -0.345 5.015 25 HG11 VAL 4 HG11 VAL 4 7.567 -3.131 4.289 26 HG12 VAL 4 HG12 VAL 4 8.052 -2.562 5.885 27 HG13 VAL 4 HG13 VAL 4 9.237 -2.656 4.584 28 HG21 VAL 4 HG21 VAL 4 9.276 -1.027 2.792 29 HG22 VAL 4 HG22 VAL 4 8.050 0.236 2.682 30 HG23 VAL 4 HG23 VAL 4 7.625 -1.437 2.322 31 H CYS 5 H CYS 5 4.358 0.417 3.675 32 HA CYS 5 HA CYS 5 5.546 3.025 3.665 33 HB2 CYS 5 HB2 CYS 5 2.872 2.041 2.728 34 HB3 CYS 5 HB3 CYS 5 3.490 3.672 2.492 35 H GLY 6 H GLY 6 3.451 1.116 5.422 36 HA2 GLY 6 HA2 GLY 6 2.620 1.345 7.524 37 HA3 GLY 6 HA3 GLY 6 3.223 3.005 7.540 38 H GLU 7 H GLU 7 1.638 3.094 4.926 39 HA GLU 7 HA GLU 7 -0.809 3.960 6.285 40 HB2 GLU 7 HB2 GLU 7 -1.292 5.430 4.454 41 HB3 GLU 7 HB3 GLU 7 0.391 5.657 4.899 42 HG2 GLU 7 HG2 GLU 7 1.072 4.271 3.057 43 HG3 GLU 7 HG3 GLU 7 -0.598 3.991 2.626 44 H THR 8 H THR 8 -2.704 3.950 4.697 45 HA THR 8 HA THR 8 -2.956 1.281 3.580 46 HB THR 8 HB THR 8 -5.365 1.444 4.375 47 HG1 THR 8 HG1 THR 8 -4.919 3.759 5.034 48 HG21 THR 8 HG21 THR 8 -3.771 -0.115 5.374 49 HG22 THR 8 HG22 THR 8 -4.847 0.555 6.601 50 HG23 THR 8 HG23 THR 8 -3.193 1.156 6.459 51 H CYS 9 H CYS 9 -4.334 1.118 1.866 52 HA CYS 9 HA CYS 9 -5.172 3.617 0.640 53 HB2 CYS 9 HB2 CYS 9 -4.987 2.258 -1.499 54 HB3 CYS 9 HB3 CYS 9 -3.475 2.748 -0.765 55 H VAL 10 H VAL 10 -7.249 3.555 1.486 56 HA VAL 10 HA VAL 10 -8.781 1.137 1.243 57 HB VAL 10 HB VAL 10 -9.640 3.921 2.033 58 HG11 VAL 10 HG11 VAL 10 -11.624 2.807 3.001 59 HG12 VAL 10 HG12 VAL 10 -11.089 1.280 2.299 60 HG13 VAL 10 HG13 VAL 10 -11.548 2.623 1.250 61 HG21 VAL 10 HG21 VAL 10 -8.013 2.996 3.575 62 HG22 VAL 10 HG22 VAL 10 -8.966 1.521 3.726 63 HG23 VAL 10 HG23 VAL 10 -9.605 3.047 4.334 64 H GLY 11 H GLY 11 -8.462 4.174 -0.429 65 HA2 GLY 11 HA2 GLY 11 -10.484 3.438 -2.382 66 HA3 GLY 11 HA3 GLY 11 -9.531 4.923 -2.364 67 H GLY 12 H GLY 12 -7.233 2.867 -1.817 68 HA2 GLY 12 HA2 GLY 12 -5.937 1.372 -3.143 69 HA3 GLY 12 HA3 GLY 12 -6.960 1.779 -4.511 70 H THR 13 H THR 13 -5.895 4.407 -2.666 71 HA THR 13 HA THR 13 -3.872 5.052 -4.655 72 HB THR 13 HB THR 13 -5.704 6.951 -3.228 73 HG1 THR 13 HG1 THR 13 -6.086 5.356 -5.450 74 HG21 THR 13 HG21 THR 13 -3.913 7.253 -5.643 75 HG22 THR 13 HG22 THR 13 -3.649 7.958 -4.046 76 HG23 THR 13 HG23 THR 13 -5.004 8.497 -5.040 77 H CYS 14 H CYS 14 -2.037 5.294 -3.710 78 HA CYS 14 HA CYS 14 -1.899 5.674 -0.817 79 HB2 CYS 14 HB2 CYS 14 0.252 4.758 -2.718 80 HB3 CYS 14 HB3 CYS 14 0.397 4.859 -0.964 81 H ASN 15 H ASN 15 -0.772 7.225 0.169 82 HA ASN 15 HA ASN 15 -0.507 9.672 -1.303 83 HB2 ASN 15 HB2 ASN 15 -1.688 9.759 0.792 84 HB3 ASN 15 HB3 ASN 15 -0.349 8.999 1.632 85 HD21 ASN 15 HD21 ASN 15 1.267 10.236 2.391 86 HD22 ASN 15 HD22 ASN 15 1.350 11.948 2.219 87 H THR 16 H THR 16 1.612 7.721 0.808 88 HA THR 16 HA THR 16 3.940 9.163 0.517 89 HB THR 16 HB THR 16 3.740 6.143 0.697 90 HG1 THR 16 HG1 THR 16 2.665 7.000 2.394 91 HG21 THR 16 HG21 THR 16 5.995 6.961 0.102 92 HG22 THR 16 HG22 THR 16 5.962 6.274 1.723 93 HG23 THR 16 HG23 THR 16 5.973 8.026 1.509 94 HA PRO 17 HA PRO 17 4.686 8.697 -3.879 95 HB2 PRO 17 HB2 PRO 17 7.086 10.032 -3.915 96 HB3 PRO 17 HB3 PRO 17 5.523 10.851 -3.941 97 HG2 PRO 17 HG2 PRO 17 7.404 10.427 -1.676 98 HG3 PRO 17 HG3 PRO 17 6.362 11.815 -2.031 99 HD2 PRO 17 HD2 PRO 17 5.800 9.916 -0.154 100 HD3 PRO 17 HD3 PRO 17 4.557 10.872 -0.978 101 H GLY 18 H GLY 18 5.293 6.754 -4.483 102 HA2 GLY 18 HA2 GLY 18 7.272 5.439 -5.031 103 HA3 GLY 18 HA3 GLY 18 7.789 5.688 -3.363 104 H CYS 19 H CYS 19 4.633 5.452 -2.995 105 HA CYS 19 HA CYS 19 4.757 2.531 -2.780 106 HB2 CYS 19 HB2 CYS 19 2.842 4.350 -1.381 107 HB3 CYS 19 HB3 CYS 19 3.024 2.644 -1.165 108 H THR 20 H THR 20 2.964 1.369 -3.287 109 HA THR 20 HA THR 20 0.987 2.590 -5.013 110 HB THR 20 HB THR 20 1.218 0.473 -6.359 111 HG1 THR 20 HG1 THR 20 2.837 -0.829 -6.080 112 HG21 THR 20 HG21 THR 20 2.071 2.615 -7.211 113 HG22 THR 20 HG22 THR 20 3.124 1.290 -7.704 114 HG23 THR 20 HG23 THR 20 3.593 2.340 -6.369 115 H CYS 21 H CYS 21 -1.010 1.363 -4.964 116 HA CYS 21 HA CYS 21 -1.271 -0.202 -2.542 117 HB2 CYS 21 HB2 CYS 21 -2.986 1.558 -3.144 118 HB3 CYS 21 HB3 CYS 21 -3.409 0.555 -4.535 119 H SER 22 H SER 22 -0.051 -1.954 -3.217 120 HA SER 22 HA SER 22 -1.182 -3.511 -5.410 121 HB2 SER 22 HB2 SER 22 1.220 -2.934 -5.611 122 HB3 SER 22 HB3 SER 22 1.542 -3.770 -4.097 123 HG SER 22 HG SER 22 0.275 -5.493 -5.545 124 H TRP 23 H TRP 23 -1.534 -3.278 -2.204 125 HA TRP 23 HA TRP 23 -2.403 -6.009 -1.985 126 HB2 TRP 23 HB2 TRP 23 -0.071 -6.074 -1.151 127 HB3 TRP 23 HB3 TRP 23 -0.437 -4.777 -0.029 128 HD1 TRP 23 HD1 TRP 23 -0.759 -5.620 2.335 129 HE1 TRP 23 HE1 TRP 23 -1.567 -7.781 3.449 130 HE3 TRP 23 HE3 TRP 23 -1.973 -8.269 -1.867 131 HZ2 TRP 23 HZ2 TRP 23 -2.620 -10.293 2.637 132 HZ3 TRP 23 HZ3 TRP 23 -2.884 -10.536 -1.608 133 HH2 TRP 23 HH2 TRP 23 -3.198 -11.522 0.603 134 H TRP 24 H TRP 24 -4.167 -4.443 -2.339 135 HA TRP 24 HA TRP 24 -5.003 -2.474 -0.634 136 HB2 TRP 24 HB2 TRP 24 -6.010 -2.983 -2.842 137 HB3 TRP 24 HB3 TRP 24 -6.756 -4.423 -2.162 138 HD1 TRP 24 HD1 TRP 24 -6.971 -0.612 -2.082 139 HE1 TRP 24 HE1 TRP 24 -9.314 0.066 -1.188 140 HE3 TRP 24 HE3 TRP 24 -8.718 -5.227 -0.798 141 HZ2 TRP 24 HZ2 TRP 24 -11.587 -1.208 -0.119 142 HZ3 TRP 24 HZ3 TRP 24 -10.986 -5.420 0.148 143 HH2 TRP 24 HH2 TRP 24 -12.383 -3.447 0.478 144 HA PRO 25 HA PRO 25 -6.188 -1.510 0.548 145 HB2 PRO 25 HB2 PRO 25 -7.073 -0.728 2.947 146 HB3 PRO 25 HB3 PRO 25 -8.134 -1.495 1.764 147 HG2 PRO 25 HG2 PRO 25 -7.148 -2.553 4.309 148 HG3 PRO 25 HG3 PRO 25 -8.468 -3.142 3.289 149 HD2 PRO 25 HD2 PRO 25 -5.681 -4.054 3.430 150 HD3 PRO 25 HD3 PRO 25 -7.076 -4.849 2.678 151 H VAL 26 H VAL 26 -3.651 -2.923 1.499 152 HA VAL 26 HA VAL 26 -2.631 -0.818 3.273 153 HB VAL 26 HB VAL 26 -1.453 -3.574 2.759 154 HG11 VAL 26 HG11 VAL 26 -0.006 -3.099 4.687 155 HG12 VAL 26 HG12 VAL 26 -0.704 -1.483 4.805 156 HG13 VAL 26 HG13 VAL 26 0.236 -1.933 3.383 157 HG21 VAL 26 HG21 VAL 26 -3.001 -2.590 5.155 158 HG22 VAL 26 HG22 VAL 26 -2.187 -4.149 5.031 159 HG23 VAL 26 HG23 VAL 26 -3.547 -3.779 3.972 160 H CYS 27 H CYS 27 -0.765 0.338 2.579 161 HA CYS 27 HA CYS 27 -0.297 0.042 -0.230 162 HB2 CYS 27 HB2 CYS 27 0.788 2.036 1.695 163 HB3 CYS 27 HB3 CYS 27 1.095 1.996 -0.004 164 H THR 28 H THR 28 1.587 -0.081 -1.052 165 HA THR 28 HA THR 28 3.603 -1.566 0.470 166 HB THR 28 HB THR 28 3.774 -3.053 -1.549 167 HG1 THR 28 HG1 THR 28 1.987 -1.357 -2.519 168 HG21 THR 28 HG21 THR 28 1.214 -3.085 0.022 169 HG22 THR 28 HG22 THR 28 2.774 -3.737 0.530 170 HG23 THR 28 HG23 THR 28 1.914 -4.474 -0.838 171 H ARG 29 H ARG 29 5.656 -1.583 -0.555 172 HA ARG 29 HA ARG 29 6.026 0.829 -2.036 173 HB2 ARG 29 HB2 ARG 29 7.505 -0.153 -0.106 174 HB3 ARG 29 HB3 ARG 29 8.300 -1.010 -1.419 175 HG2 ARG 29 HG2 ARG 29 9.538 0.948 -1.223 176 HG3 ARG 29 HG3 ARG 29 8.416 1.310 -2.539 177 HD2 ARG 29 HD2 ARG 29 8.179 3.206 -1.167 178 HD3 ARG 29 HD3 ARG 29 6.864 2.123 -0.687 179 HE ARG 29 HE ARG 29 8.828 1.393 0.978 180 HH11 ARG 29 HH11 ARG 29 7.429 4.563 0.292 181 HH12 ARG 29 HH12 ARG 29 7.749 5.169 1.869 182 HH21 ARG 29 HH21 ARG 29 9.256 2.275 3.143 183 HH22 ARG 29 HH22 ARG 29 8.758 3.866 3.472 184 H ASN 30 H ASN 30 7.327 -2.498 -2.487 185 HA ASN 30 HA ASN 30 7.044 -2.202 -5.345 186 HB2 ASN 30 HB2 ASN 30 8.961 -3.749 -5.334 187 HB3 ASN 30 HB3 ASN 30 9.407 -2.184 -4.637 188 HD21 ASN 30 HD21 ASN 30 9.061 -5.585 -4.130 189 HD22 ASN 30 HD22 ASN 30 9.645 -5.627 -2.513 Start of MODEL 7 1 H1 GLY 1 H GLY 1 5.460 -3.113 -2.685 2 HA2 GLY 1 HA2 GLY 1 4.163 -5.041 -2.559 3 HA3 GLY 1 HA3 GLY 1 5.581 -6.001 -3.053 4 H LEU 2 H LEU 2 6.336 -3.573 -0.904 5 HA LEU 2 HA LEU 2 6.381 -5.514 1.315 6 HB2 LEU 2 HB2 LEU 2 8.599 -4.947 0.325 7 HB3 LEU 2 HB3 LEU 2 8.309 -3.274 0.757 8 HG LEU 2 HG LEU 2 8.310 -3.885 3.132 9 HD11 LEU 2 HD11 LEU 2 7.545 -6.186 2.953 10 HD12 LEU 2 HD12 LEU 2 9.073 -6.097 3.822 11 HD13 LEU 2 HD13 LEU 2 9.045 -6.631 2.140 12 HD21 LEU 2 HD21 LEU 2 10.742 -4.781 1.593 13 HD22 LEU 2 HD22 LEU 2 10.706 -4.358 3.304 14 HD23 LEU 2 HD23 LEU 2 10.365 -3.128 2.087 15 HA PRO 3 HA PRO 3 3.864 -2.236 3.117 16 HB2 PRO 3 HB2 PRO 3 3.823 -3.804 5.569 17 HB3 PRO 3 HB3 PRO 3 2.482 -3.377 4.499 18 HG2 PRO 3 HG2 PRO 3 3.443 -5.914 4.705 19 HG3 PRO 3 HG3 PRO 3 2.730 -5.273 3.216 20 HD2 PRO 3 HD2 PRO 3 5.615 -5.632 3.935 21 HD3 PRO 3 HD3 PRO 3 4.780 -5.916 2.388 22 H VAL 4 H VAL 4 5.783 -0.961 3.111 23 HA VAL 4 HA VAL 4 6.688 -0.420 5.859 24 HB VAL 4 HB VAL 4 8.868 0.440 4.913 25 HG11 VAL 4 HG11 VAL 4 8.284 -2.490 4.561 26 HG12 VAL 4 HG12 VAL 4 8.838 -1.690 6.030 27 HG13 VAL 4 HG13 VAL 4 9.901 -1.793 4.626 28 HG21 VAL 4 HG21 VAL 4 8.193 0.708 2.585 29 HG22 VAL 4 HG22 VAL 4 7.980 -1.038 2.438 30 HG23 VAL 4 HG23 VAL 4 9.588 -0.366 2.708 31 H CYS 5 H CYS 5 4.572 0.571 4.044 32 HA CYS 5 HA CYS 5 5.414 3.309 3.632 33 HB2 CYS 5 HB2 CYS 5 2.862 1.923 2.836 34 HB3 CYS 5 HB3 CYS 5 3.303 3.577 2.439 35 H GLY 6 H GLY 6 3.457 1.348 5.559 36 HA2 GLY 6 HA2 GLY 6 2.621 1.753 7.667 37 HA3 GLY 6 HA3 GLY 6 3.299 3.369 7.522 38 H GLU 7 H GLU 7 1.467 2.888 4.901 39 HA GLU 7 HA GLU 7 -0.887 3.993 6.273 40 HB2 GLU 7 HB2 GLU 7 -1.379 5.471 4.460 41 HB3 GLU 7 HB3 GLU 7 0.289 5.729 4.939 42 HG2 GLU 7 HG2 GLU 7 1.034 4.405 3.067 43 HG3 GLU 7 HG3 GLU 7 -0.625 4.102 2.599 44 H THR 8 H THR 8 -2.761 4.020 4.637 45 HA THR 8 HA THR 8 -3.040 1.335 3.562 46 HB THR 8 HB THR 8 -5.420 1.494 4.476 47 HG1 THR 8 HG1 THR 8 -4.647 3.825 5.309 48 HG21 THR 8 HG21 THR 8 -3.807 -0.119 5.342 49 HG22 THR 8 HG22 THR 8 -4.776 0.547 6.659 50 HG23 THR 8 HG23 THR 8 -3.125 1.116 6.405 51 H CYS 9 H CYS 9 -4.722 1.191 2.007 52 HA CYS 9 HA CYS 9 -5.471 3.746 0.845 53 HB2 CYS 9 HB2 CYS 9 -5.282 2.530 -1.367 54 HB3 CYS 9 HB3 CYS 9 -3.763 2.933 -0.585 55 H VAL 10 H VAL 10 -7.545 3.513 1.902 56 HA VAL 10 HA VAL 10 -9.048 1.141 1.251 57 HB VAL 10 HB VAL 10 -10.055 3.692 2.533 58 HG11 VAL 10 HG11 VAL 10 -11.871 2.334 1.647 59 HG12 VAL 10 HG12 VAL 10 -11.884 2.272 3.411 60 HG13 VAL 10 HG13 VAL 10 -11.246 0.917 2.485 61 HG21 VAL 10 HG21 VAL 10 -8.269 2.749 3.874 62 HG22 VAL 10 HG22 VAL 10 -9.042 1.166 3.829 63 HG23 VAL 10 HG23 VAL 10 -9.815 2.495 4.688 64 H GLY 11 H GLY 11 -8.590 4.292 0.002 65 HA2 GLY 11 HA2 GLY 11 -10.782 4.054 -1.895 66 HA3 GLY 11 HA3 GLY 11 -9.647 5.397 -1.770 67 H GLY 12 H GLY 12 -7.506 3.179 -1.652 68 HA2 GLY 12 HA2 GLY 12 -6.519 1.670 -3.212 69 HA3 GLY 12 HA3 GLY 12 -7.564 2.340 -4.457 70 H THR 13 H THR 13 -6.124 4.670 -2.475 71 HA THR 13 HA THR 13 -3.999 5.103 -4.416 72 HB THR 13 HB THR 13 -5.666 7.271 -3.167 73 HG1 THR 13 HG1 THR 13 -5.807 6.347 -5.863 74 HG21 THR 13 HG21 THR 13 -4.668 8.663 -4.962 75 HG22 THR 13 HG22 THR 13 -3.739 7.263 -5.502 76 HG23 THR 13 HG23 THR 13 -3.439 7.959 -3.911 77 H CYS 14 H CYS 14 -2.190 5.221 -3.406 78 HA CYS 14 HA CYS 14 -2.077 5.757 -0.531 79 HB2 CYS 14 HB2 CYS 14 0.115 4.726 -2.343 80 HB3 CYS 14 HB3 CYS 14 0.132 4.768 -0.583 81 H ASN 15 H ASN 15 -0.556 7.274 0.315 82 HA ASN 15 HA ASN 15 -0.278 9.603 -1.385 83 HB2 ASN 15 HB2 ASN 15 -1.176 9.879 0.880 84 HB3 ASN 15 HB3 ASN 15 0.297 9.207 1.553 85 HD21 ASN 15 HD21 ASN 15 2.076 10.530 1.819 86 HD22 ASN 15 HD22 ASN 15 2.078 12.201 1.459 87 H THR 16 H THR 16 1.813 7.692 0.719 88 HA THR 16 HA THR 16 4.217 8.954 0.305 89 HB THR 16 HB THR 16 3.865 5.976 0.719 90 HG1 THR 16 HG1 THR 16 2.633 6.988 2.259 91 HG21 THR 16 HG21 THR 16 6.188 6.722 0.312 92 HG22 THR 16 HG22 THR 16 5.967 6.178 1.975 93 HG23 THR 16 HG23 THR 16 6.026 7.902 1.614 94 HA PRO 17 HA PRO 17 4.929 8.155 -4.125 95 HB2 PRO 17 HB2 PRO 17 7.532 9.382 -3.370 96 HB3 PRO 17 HB3 PRO 17 6.438 9.812 -4.688 97 HG2 PRO 17 HG2 PRO 17 6.610 11.352 -2.540 98 HG3 PRO 17 HG3 PRO 17 5.039 11.036 -3.303 99 HD2 PRO 17 HD2 PRO 17 6.213 9.840 -0.826 100 HD3 PRO 17 HD3 PRO 17 4.546 10.375 -1.152 101 H GLY 18 H GLY 18 5.554 6.235 -4.757 102 HA2 GLY 18 HA2 GLY 18 7.332 4.674 -5.147 103 HA3 GLY 18 HA3 GLY 18 7.926 5.023 -3.520 104 H CYS 19 H CYS 19 4.726 5.028 -3.126 105 HA CYS 19 HA CYS 19 4.716 2.172 -2.556 106 HB2 CYS 19 HB2 CYS 19 2.908 4.295 -1.440 107 HB3 CYS 19 HB3 CYS 19 2.884 2.602 -1.034 108 H THR 20 H THR 20 2.737 1.084 -2.794 109 HA THR 20 HA THR 20 1.084 1.947 -5.025 110 HB THR 20 HB THR 20 1.292 -0.498 -5.668 111 HG1 THR 20 HG1 THR 20 3.880 -0.451 -4.619 112 HG21 THR 20 HG21 THR 20 3.683 1.322 -6.044 113 HG22 THR 20 HG22 THR 20 2.235 1.298 -7.053 114 HG23 THR 20 HG23 THR 20 3.322 -0.092 -7.033 115 H CYS 21 H CYS 21 -1.015 1.129 -4.805 116 HA CYS 21 HA CYS 21 -1.631 -0.232 -2.312 117 HB2 CYS 21 HB2 CYS 21 -3.077 1.697 -3.077 118 HB3 CYS 21 HB3 CYS 21 -3.501 0.728 -4.491 119 H SER 22 H SER 22 -0.504 -2.101 -2.967 120 HA SER 22 HA SER 22 -1.489 -3.537 -5.297 121 HB2 SER 22 HB2 SER 22 0.961 -3.377 -4.851 122 HB3 SER 22 HB3 SER 22 0.727 -4.328 -3.392 123 HG SER 22 HG SER 22 0.684 -6.069 -4.553 124 H TRP 23 H TRP 23 -1.534 -3.821 -1.783 125 HA TRP 23 HA TRP 23 -3.318 -6.098 -2.156 126 HB2 TRP 23 HB2 TRP 23 -1.381 -5.670 0.137 127 HB3 TRP 23 HB3 TRP 23 -2.566 -6.964 0.044 128 HD1 TRP 23 HD1 TRP 23 0.914 -6.100 -0.940 129 HE1 TRP 23 HE1 TRP 23 1.949 -8.011 -2.341 130 HE3 TRP 23 HE3 TRP 23 -3.309 -8.802 -1.857 131 HZ2 TRP 23 HZ2 TRP 23 1.077 -10.341 -3.662 132 HZ3 TRP 23 HZ3 TRP 23 -3.135 -10.853 -3.199 133 HH2 TRP 23 HH2 TRP 23 -0.981 -11.605 -4.082 134 H TRP 24 H TRP 24 -4.900 -4.551 -2.326 135 HA TRP 24 HA TRP 24 -5.461 -2.465 -0.614 136 HB2 TRP 24 HB2 TRP 24 -6.492 -2.866 -2.855 137 HB3 TRP 24 HB3 TRP 24 -7.455 -4.155 -2.155 138 HD1 TRP 24 HD1 TRP 24 -7.215 -0.384 -2.411 139 HE1 TRP 24 HE1 TRP 24 -9.429 0.649 -1.455 140 HE3 TRP 24 HE3 TRP 24 -9.352 -4.566 -0.424 141 HZ2 TRP 24 HZ2 TRP 24 -11.693 -0.192 -0.092 142 HZ3 TRP 24 HZ3 TRP 24 -11.531 -4.367 0.691 143 HH2 TRP 24 HH2 TRP 24 -12.674 -2.221 0.853 144 HA PRO 25 HA PRO 25 -6.677 -1.362 0.513 145 HB2 PRO 25 HB2 PRO 25 -7.468 -0.441 2.871 146 HB3 PRO 25 HB3 PRO 25 -8.612 -1.215 1.770 147 HG2 PRO 25 HG2 PRO 25 -7.437 -2.239 4.287 148 HG3 PRO 25 HG3 PRO 25 -8.983 -2.637 3.525 149 HD2 PRO 25 HD2 PRO 25 -6.515 -4.101 3.383 150 HD3 PRO 25 HD3 PRO 25 -8.060 -4.483 2.602 151 H VAL 26 H VAL 26 -4.305 -3.023 1.446 152 HA VAL 26 HA VAL 26 -3.035 -1.081 3.225 153 HB VAL 26 HB VAL 26 -2.229 -3.938 2.573 154 HG11 VAL 26 HG11 VAL 26 -1.021 -2.011 4.561 155 HG12 VAL 26 HG12 VAL 26 -0.279 -2.535 3.056 156 HG13 VAL 26 HG13 VAL 26 -0.552 -3.699 4.351 157 HG21 VAL 26 HG21 VAL 26 -4.226 -3.843 3.960 158 HG22 VAL 26 HG22 VAL 26 -3.402 -2.772 5.094 159 HG23 VAL 26 HG23 VAL 26 -2.849 -4.435 4.891 160 H CYS 27 H CYS 27 -1.219 0.019 2.521 161 HA CYS 27 HA CYS 27 -0.624 -0.243 -0.275 162 HB2 CYS 27 HB2 CYS 27 0.533 1.611 1.772 163 HB3 CYS 27 HB3 CYS 27 0.798 1.655 0.063 164 H THR 28 H THR 28 1.401 -0.479 -0.925 165 HA THR 28 HA THR 28 3.306 -1.723 0.887 166 HB THR 28 HB THR 28 3.858 -3.230 -1.116 167 HG1 THR 28 HG1 THR 28 2.199 -2.025 -2.462 168 HG21 THR 28 HG21 THR 28 2.967 -3.970 1.023 169 HG22 THR 28 HG22 THR 28 2.367 -4.944 -0.313 170 HG23 THR 28 HG23 THR 28 1.316 -3.719 0.440 171 H ARG 29 H ARG 29 5.448 -1.765 -0.111 172 HA ARG 29 HA ARG 29 5.852 0.745 -1.415 173 HB2 ARG 29 HB2 ARG 29 7.192 -0.247 0.520 174 HB3 ARG 29 HB3 ARG 29 7.977 -1.265 -0.652 175 HG2 ARG 29 HG2 ARG 29 9.366 0.507 -0.274 176 HG3 ARG 29 HG3 ARG 29 8.627 0.774 -1.857 177 HD2 ARG 29 HD2 ARG 29 7.218 2.415 -1.053 178 HD3 ARG 29 HD3 ARG 29 7.455 1.922 0.621 179 HE ARG 29 HE ARG 29 9.875 2.480 0.053 180 HH11 ARG 29 HH11 ARG 29 7.031 4.399 -0.798 181 HH12 ARG 29 HH12 ARG 29 7.872 5.887 -0.889 182 HH21 ARG 29 HH21 ARG 29 11.010 4.548 0.000 183 HH22 ARG 29 HH22 ARG 29 10.183 5.974 -0.376 184 H ASN 30 H ASN 30 7.490 -2.358 -1.983 185 HA ASN 30 HA ASN 30 7.057 -2.153 -4.819 186 HB2 ASN 30 HB2 ASN 30 9.223 -3.379 -4.836 187 HB3 ASN 30 HB3 ASN 30 9.400 -1.726 -4.228 188 HD21 ASN 30 HD21 ASN 30 9.727 -5.069 -3.572 189 HD22 ASN 30 HD22 ASN 30 10.377 -4.919 -1.983 Start of MODEL 8 1 H1 GLY 1 H GLY 1 5.141 -3.234 -3.242 2 HA2 GLY 1 HA2 GLY 1 3.588 -4.888 -2.923 3 HA3 GLY 1 HA3 GLY 1 4.848 -6.062 -3.382 4 H LEU 2 H LEU 2 5.698 -3.723 -1.081 5 HA LEU 2 HA LEU 2 5.499 -5.761 1.034 6 HB2 LEU 2 HB2 LEU 2 7.800 -5.420 0.105 7 HB3 LEU 2 HB3 LEU 2 7.702 -3.760 0.644 8 HG LEU 2 HG LEU 2 7.485 -4.546 2.982 9 HD11 LEU 2 HD11 LEU 2 6.570 -6.755 2.590 10 HD12 LEU 2 HD12 LEU 2 8.068 -6.852 3.515 11 HD13 LEU 2 HD13 LEU 2 8.068 -7.249 1.799 12 HD21 LEU 2 HD21 LEU 2 9.645 -3.865 2.097 13 HD22 LEU 2 HD22 LEU 2 9.929 -5.504 1.511 14 HD23 LEU 2 HD23 LEU 2 9.827 -5.192 3.242 15 HA PRO 3 HA PRO 3 3.346 -2.272 2.884 16 HB2 PRO 3 HB2 PRO 3 3.242 -3.953 5.274 17 HB3 PRO 3 HB3 PRO 3 1.915 -3.282 4.320 18 HG2 PRO 3 HG2 PRO 3 2.495 -5.918 4.302 19 HG3 PRO 3 HG3 PRO 3 1.876 -5.077 2.870 20 HD2 PRO 3 HD2 PRO 3 4.681 -5.892 3.522 21 HD3 PRO 3 HD3 PRO 3 3.798 -5.955 1.975 22 H VAL 4 H VAL 4 5.342 -1.173 2.872 23 HA VAL 4 HA VAL 4 6.355 -0.730 5.582 24 HB VAL 4 HB VAL 4 8.644 -0.211 4.614 25 HG11 VAL 4 HG11 VAL 4 8.316 -2.261 5.819 26 HG12 VAL 4 HG12 VAL 4 9.371 -2.572 4.437 27 HG13 VAL 4 HG13 VAL 4 7.672 -3.046 4.382 28 HG21 VAL 4 HG21 VAL 4 7.553 -1.642 2.189 29 HG22 VAL 4 HG22 VAL 4 9.246 -1.221 2.447 30 HG23 VAL 4 HG23 VAL 4 8.037 0.053 2.278 31 H CYS 5 H CYS 5 4.344 0.471 4.014 32 HA CYS 5 HA CYS 5 5.483 3.094 3.438 33 HB2 CYS 5 HB2 CYS 5 2.790 1.936 2.827 34 HB3 CYS 5 HB3 CYS 5 3.279 3.584 2.444 35 H GLY 6 H GLY 6 3.545 1.370 5.587 36 HA2 GLY 6 HA2 GLY 6 2.912 1.909 7.716 37 HA3 GLY 6 HA3 GLY 6 3.528 3.539 7.435 38 H GLU 7 H GLU 7 1.694 3.260 4.987 39 HA GLU 7 HA GLU 7 -0.686 4.233 6.410 40 HB2 GLU 7 HB2 GLU 7 -1.162 5.689 4.536 41 HB3 GLU 7 HB3 GLU 7 0.499 5.930 5.061 42 HG2 GLU 7 HG2 GLU 7 1.327 4.671 3.247 43 HG3 GLU 7 HG3 GLU 7 -0.288 4.190 2.767 44 H THR 8 H THR 8 -2.536 4.266 4.606 45 HA THR 8 HA THR 8 -2.847 1.529 3.636 46 HB THR 8 HB THR 8 -5.278 1.837 4.434 47 HG1 THR 8 HG1 THR 8 -4.241 4.084 5.370 48 HG21 THR 8 HG21 THR 8 -4.756 0.857 6.624 49 HG22 THR 8 HG22 THR 8 -3.063 1.325 6.423 50 HG23 THR 8 HG23 THR 8 -3.793 0.134 5.338 51 H CYS 9 H CYS 9 -4.437 1.295 1.987 52 HA CYS 9 HA CYS 9 -5.222 3.757 0.676 53 HB2 CYS 9 HB2 CYS 9 -5.074 2.314 -1.423 54 HB3 CYS 9 HB3 CYS 9 -3.551 2.844 -0.737 55 H VAL 10 H VAL 10 -7.236 3.693 1.704 56 HA VAL 10 HA VAL 10 -8.851 1.329 1.652 57 HB VAL 10 HB VAL 10 -9.662 4.192 2.138 58 HG11 VAL 10 HG11 VAL 10 -11.599 3.235 3.357 59 HG12 VAL 10 HG12 VAL 10 -11.082 1.627 2.852 60 HG13 VAL 10 HG13 VAL 10 -11.596 2.803 1.645 61 HG21 VAL 10 HG21 VAL 10 -7.959 3.538 3.728 62 HG22 VAL 10 HG22 VAL 10 -8.851 2.075 4.127 63 HG23 VAL 10 HG23 VAL 10 -9.515 3.654 4.548 64 H GLY 11 H GLY 11 -8.536 4.229 -0.263 65 HA2 GLY 11 HA2 GLY 11 -10.679 3.429 -2.046 66 HA3 GLY 11 HA3 GLY 11 -9.714 4.898 -2.160 67 H GLY 12 H GLY 12 -7.247 3.178 -1.789 68 HA2 GLY 12 HA2 GLY 12 -6.216 1.433 -3.171 69 HA3 GLY 12 HA3 GLY 12 -7.243 1.989 -4.483 70 H THR 13 H THR 13 -5.929 4.548 -2.691 71 HA THR 13 HA THR 13 -3.610 4.743 -4.422 72 HB THR 13 HB THR 13 -5.541 7.016 -3.979 73 HG1 THR 13 HG1 THR 13 -6.236 5.317 -5.477 74 HG21 THR 13 HG21 THR 13 -4.175 8.202 -5.664 75 HG22 THR 13 HG22 THR 13 -3.087 6.814 -5.739 76 HG23 THR 13 HG23 THR 13 -3.224 7.749 -4.248 77 H CYS 14 H CYS 14 -1.971 5.236 -3.297 78 HA CYS 14 HA CYS 14 -2.270 5.926 -0.491 79 HB2 CYS 14 HB2 CYS 14 0.215 5.152 -2.021 80 HB3 CYS 14 HB3 CYS 14 0.014 5.206 -0.271 81 H ASN 15 H ASN 15 -0.572 7.411 0.389 82 HA ASN 15 HA ASN 15 -0.547 9.890 -1.132 83 HB2 ASN 15 HB2 ASN 15 -1.330 10.016 1.153 84 HB3 ASN 15 HB3 ASN 15 0.116 9.207 1.727 85 HD21 ASN 15 HD21 ASN 15 -1.205 12.184 0.558 86 HD22 ASN 15 HD22 ASN 15 0.130 13.185 0.999 87 H THR 16 H THR 16 1.705 7.870 0.694 88 HA THR 16 HA THR 16 4.074 9.157 0.241 89 HB THR 16 HB THR 16 3.691 6.165 0.406 90 HG1 THR 16 HG1 THR 16 2.703 7.100 2.144 91 HG21 THR 16 HG21 THR 16 5.968 6.852 -0.234 92 HG22 THR 16 HG22 THR 16 5.935 6.198 1.404 93 HG23 THR 16 HG23 THR 16 6.020 7.941 1.153 94 HA PRO 17 HA PRO 17 4.599 8.615 -4.231 95 HB2 PRO 17 HB2 PRO 17 7.131 10.039 -3.695 96 HB3 PRO 17 HB3 PRO 17 5.823 10.480 -4.796 97 HG2 PRO 17 HG2 PRO 17 6.266 11.837 -2.526 98 HG3 PRO 17 HG3 PRO 17 4.631 11.574 -3.156 99 HD2 PRO 17 HD2 PRO 17 6.050 10.163 -0.931 100 HD3 PRO 17 HD3 PRO 17 4.355 10.693 -1.050 101 H GLY 18 H GLY 18 5.119 6.561 -4.498 102 HA2 GLY 18 HA2 GLY 18 7.189 5.291 -5.111 103 HA3 GLY 18 HA3 GLY 18 7.677 5.568 -3.434 104 H CYS 19 H CYS 19 4.566 5.347 -3.054 105 HA CYS 19 HA CYS 19 4.681 2.454 -2.732 106 HB2 CYS 19 HB2 CYS 19 2.795 4.416 -1.460 107 HB3 CYS 19 HB3 CYS 19 2.789 2.691 -1.216 108 H THR 20 H THR 20 2.756 1.306 -3.024 109 HA THR 20 HA THR 20 0.902 2.294 -5.031 110 HB THR 20 HB THR 20 1.237 -0.197 -5.868 111 HG1 THR 20 HG1 THR 20 3.894 0.439 -5.230 112 HG21 THR 20 HG21 THR 20 2.783 0.617 -7.612 113 HG22 THR 20 HG22 THR 20 3.102 2.053 -6.640 114 HG23 THR 20 HG23 THR 20 1.490 1.775 -7.302 115 H CYS 21 H CYS 21 -1.098 1.133 -4.894 116 HA CYS 21 HA CYS 21 -1.424 -0.347 -2.413 117 HB2 CYS 21 HB2 CYS 21 -3.065 1.481 -3.114 118 HB3 CYS 21 HB3 CYS 21 -3.548 0.402 -4.424 119 H SER 22 H SER 22 -0.247 -2.163 -3.085 120 HA SER 22 HA SER 22 -1.231 -3.669 -5.366 121 HB2 SER 22 HB2 SER 22 1.244 -3.442 -4.911 122 HB3 SER 22 HB3 SER 22 1.010 -4.384 -3.443 123 HG SER 22 HG SER 22 0.751 -5.152 -6.128 124 H TRP 23 H TRP 23 -0.831 -4.082 -1.858 125 HA TRP 23 HA TRP 23 -2.802 -6.230 -1.984 126 HB2 TRP 23 HB2 TRP 23 -0.794 -5.636 0.212 127 HB3 TRP 23 HB3 TRP 23 -1.977 -6.932 0.247 128 HD1 TRP 23 HD1 TRP 23 1.536 -6.508 -0.301 129 HE1 TRP 23 HE1 TRP 23 2.547 -8.392 -1.729 130 HE3 TRP 23 HE3 TRP 23 -2.772 -8.451 -2.245 131 HZ2 TRP 23 HZ2 TRP 23 1.638 -10.428 -3.461 132 HZ3 TRP 23 HZ3 TRP 23 -2.613 -10.367 -3.778 133 HH2 TRP 23 HH2 TRP 23 -0.449 -11.331 -4.372 134 H TRP 24 H TRP 24 -4.463 -4.742 -2.142 135 HA TRP 24 HA TRP 24 -4.991 -2.572 -0.507 136 HB2 TRP 24 HB2 TRP 24 -6.177 -3.069 -2.625 137 HB3 TRP 24 HB3 TRP 24 -6.952 -4.451 -1.867 138 HD1 TRP 24 HD1 TRP 24 -7.046 -0.633 -1.951 139 HE1 TRP 24 HE1 TRP 24 -9.286 0.164 -0.891 140 HE3 TRP 24 HE3 TRP 24 -8.814 -5.117 -0.266 141 HZ2 TRP 24 HZ2 TRP 24 -11.483 -0.974 0.434 142 HZ3 TRP 24 HZ3 TRP 24 -10.988 -5.181 0.880 143 HH2 TRP 24 HH2 TRP 24 -12.289 -3.138 1.218 144 HA PRO 25 HA PRO 25 -6.189 -1.473 0.648 145 HB2 PRO 25 HB2 PRO 25 -6.973 -0.637 3.160 146 HB3 PRO 25 HB3 PRO 25 -8.072 -1.110 1.863 147 HG2 PRO 25 HG2 PRO 25 -7.671 -2.444 4.348 148 HG3 PRO 25 HG3 PRO 25 -8.661 -2.984 2.986 149 HD2 PRO 25 HD2 PRO 25 -5.873 -3.745 3.720 150 HD3 PRO 25 HD3 PRO 25 -7.141 -4.709 2.929 151 H VAL 26 H VAL 26 -3.724 -2.919 1.679 152 HA VAL 26 HA VAL 26 -2.659 -0.814 3.420 153 HB VAL 26 HB VAL 26 -1.536 -3.593 2.903 154 HG11 VAL 26 HG11 VAL 26 0.220 -2.015 3.460 155 HG12 VAL 26 HG12 VAL 26 -0.057 -3.110 4.821 156 HG13 VAL 26 HG13 VAL 26 -0.687 -1.465 4.866 157 HG21 VAL 26 HG21 VAL 26 -2.991 -2.529 5.323 158 HG22 VAL 26 HG22 VAL 26 -2.236 -4.118 5.198 159 HG23 VAL 26 HG23 VAL 26 -3.613 -3.712 4.173 160 H CYS 27 H CYS 27 -0.775 0.318 2.757 161 HA CYS 27 HA CYS 27 -0.356 0.106 -0.068 162 HB2 CYS 27 HB2 CYS 27 0.848 1.982 1.899 163 HB3 CYS 27 HB3 CYS 27 1.041 2.032 0.182 164 H THR 28 H THR 28 1.489 -0.098 -0.926 165 HA THR 28 HA THR 28 3.470 -1.670 0.553 166 HB THR 28 HB THR 28 3.526 -3.147 -1.526 167 HG1 THR 28 HG1 THR 28 1.666 -1.407 -2.282 168 HG21 THR 28 HG21 THR 28 1.675 -4.508 -0.660 169 HG22 THR 28 HG22 THR 28 1.152 -3.100 0.301 170 HG23 THR 28 HG23 THR 28 2.723 -3.846 0.608 171 H ARG 29 H ARG 29 5.526 -1.709 -0.323 172 HA ARG 29 HA ARG 29 6.031 0.624 -1.913 173 HB2 ARG 29 HB2 ARG 29 7.252 -0.103 0.266 174 HB3 ARG 29 HB3 ARG 29 8.193 -1.111 -0.822 175 HG2 ARG 29 HG2 ARG 29 9.407 0.872 -0.577 176 HG3 ARG 29 HG3 ARG 29 8.637 0.966 -2.166 177 HD2 ARG 29 HD2 ARG 29 8.128 3.086 -1.273 178 HD3 ARG 29 HD3 ARG 29 6.725 2.079 -0.904 179 HE ARG 29 HE ARG 29 7.731 1.737 1.334 180 HH11 ARG 29 HH11 ARG 29 8.601 4.640 -0.475 181 HH12 ARG 29 HH12 ARG 29 8.611 5.678 0.870 182 HH21 ARG 29 HH21 ARG 29 7.748 3.144 3.239 183 HH22 ARG 29 HH22 ARG 29 8.114 4.782 3.058 184 H ASN 30 H ASN 30 7.128 -2.745 -1.886 185 HA ASN 30 HA ASN 30 7.405 -2.742 -4.758 186 HB2 ASN 30 HB2 ASN 30 9.247 -4.298 -4.212 187 HB3 ASN 30 HB3 ASN 30 9.620 -2.624 -3.759 188 HD21 ASN 30 HD21 ASN 30 9.233 -5.886 -2.733 189 HD22 ASN 30 HD22 ASN 30 9.605 -5.641 -1.073 Start of MODEL 9 1 H1 GLY 1 H GLY 1 4.916 -3.282 -2.855 2 HA2 GLY 1 HA2 GLY 1 3.336 -5.035 -2.573 3 HA3 GLY 1 HA3 GLY 1 4.582 -6.183 -3.114 4 H LEU 2 H LEU 2 5.978 -3.852 -1.238 5 HA LEU 2 HA LEU 2 5.968 -5.644 1.103 6 HB2 LEU 2 HB2 LEU 2 8.160 -5.124 0.057 7 HB3 LEU 2 HB3 LEU 2 7.876 -3.425 0.350 8 HG LEU 2 HG LEU 2 7.958 -3.845 2.779 9 HD11 LEU 2 HD11 LEU 2 8.789 -5.975 3.618 10 HD12 LEU 2 HD12 LEU 2 8.760 -6.637 1.987 11 HD13 LEU 2 HD13 LEU 2 7.252 -6.196 2.780 12 HD21 LEU 2 HD21 LEU 2 10.352 -4.820 1.239 13 HD22 LEU 2 HD22 LEU 2 10.359 -4.222 2.899 14 HD23 LEU 2 HD23 LEU 2 9.943 -3.138 1.573 15 HA PRO 3 HA PRO 3 3.472 -2.333 2.767 16 HB2 PRO 3 HB2 PRO 3 2.683 -3.561 5.030 17 HB3 PRO 3 HB3 PRO 3 1.957 -3.886 3.450 18 HG2 PRO 3 HG2 PRO 3 3.835 -5.537 5.039 19 HG3 PRO 3 HG3 PRO 3 2.637 -6.042 3.841 20 HD2 PRO 3 HD2 PRO 3 5.416 -5.788 3.465 21 HD3 PRO 3 HD3 PRO 3 4.203 -6.041 2.197 22 H VAL 4 H VAL 4 5.514 -1.267 2.992 23 HA VAL 4 HA VAL 4 6.188 -0.911 5.834 24 HB VAL 4 HB VAL 4 8.532 -0.277 5.082 25 HG11 VAL 4 HG11 VAL 4 9.292 -2.627 4.851 26 HG12 VAL 4 HG12 VAL 4 7.604 -3.118 4.650 27 HG13 VAL 4 HG13 VAL 4 8.138 -2.398 6.161 28 HG21 VAL 4 HG21 VAL 4 7.618 -1.597 2.525 29 HG22 VAL 4 HG22 VAL 4 9.288 -1.197 2.919 30 HG23 VAL 4 HG23 VAL 4 8.097 0.091 2.721 31 H CYS 5 H CYS 5 4.410 0.394 3.801 32 HA CYS 5 HA CYS 5 5.574 3.010 3.596 33 HB2 CYS 5 HB2 CYS 5 2.886 1.968 2.764 34 HB3 CYS 5 HB3 CYS 5 3.537 3.558 2.374 35 H GLY 6 H GLY 6 3.413 1.243 5.467 36 HA2 GLY 6 HA2 GLY 6 2.596 1.652 7.570 37 HA3 GLY 6 HA3 GLY 6 3.401 3.218 7.503 38 H GLU 7 H GLU 7 1.613 3.062 4.836 39 HA GLU 7 HA GLU 7 -0.691 4.245 6.217 40 HB2 GLU 7 HB2 GLU 7 -1.113 5.709 4.350 41 HB3 GLU 7 HB3 GLU 7 0.565 5.880 4.830 42 HG2 GLU 7 HG2 GLU 7 1.249 4.504 2.998 43 HG3 GLU 7 HG3 GLU 7 -0.415 4.222 2.545 44 H THR 8 H THR 8 -2.581 4.305 4.551 45 HA THR 8 HA THR 8 -2.992 1.553 3.673 46 HB THR 8 HB THR 8 -5.371 1.920 4.577 47 HG1 THR 8 HG1 THR 8 -4.277 4.206 5.408 48 HG21 THR 8 HG21 THR 8 -3.072 1.453 6.485 49 HG22 THR 8 HG22 THR 8 -3.862 0.232 5.481 50 HG23 THR 8 HG23 THR 8 -4.755 1.014 6.784 51 H CYS 9 H CYS 9 -4.667 1.321 2.124 52 HA CYS 9 HA CYS 9 -5.487 3.793 0.834 53 HB2 CYS 9 HB2 CYS 9 -5.216 2.541 -1.332 54 HB3 CYS 9 HB3 CYS 9 -3.721 3.026 -0.556 55 H VAL 10 H VAL 10 -7.539 3.568 1.785 56 HA VAL 10 HA VAL 10 -8.959 1.096 1.367 57 HB VAL 10 HB VAL 10 -10.001 3.769 2.319 58 HG11 VAL 10 HG11 VAL 10 -11.211 1.008 2.568 59 HG12 VAL 10 HG12 VAL 10 -11.784 2.288 1.502 60 HG13 VAL 10 HG13 VAL 10 -11.887 2.485 3.253 61 HG21 VAL 10 HG21 VAL 10 -9.107 1.377 3.916 62 HG22 VAL 10 HG22 VAL 10 -9.832 2.840 4.584 63 HG23 VAL 10 HG23 VAL 10 -8.261 2.916 3.783 64 H GLY 11 H GLY 11 -8.673 4.206 -0.127 65 HA2 GLY 11 HA2 GLY 11 -10.758 3.613 -2.058 66 HA3 GLY 11 HA3 GLY 11 -9.803 5.090 -1.966 67 H GLY 12 H GLY 12 -7.452 3.049 -1.675 68 HA2 GLY 12 HA2 GLY 12 -6.234 1.627 -3.141 69 HA3 GLY 12 HA3 GLY 12 -7.345 2.087 -4.424 70 H THR 13 H THR 13 -6.106 4.628 -2.543 71 HA THR 13 HA THR 13 -4.019 5.165 -4.510 72 HB THR 13 HB THR 13 -5.955 7.233 -3.518 73 HG1 THR 13 HG1 THR 13 -5.996 5.507 -5.755 74 HG21 THR 13 HG21 THR 13 -5.040 8.593 -5.377 75 HG22 THR 13 HG22 THR 13 -3.940 7.275 -5.775 76 HG23 THR 13 HG23 THR 13 -3.787 8.114 -4.230 77 H CYS 14 H CYS 14 -2.273 5.495 -3.490 78 HA CYS 14 HA CYS 14 -2.238 6.115 -0.626 79 HB2 CYS 14 HB2 CYS 14 -0.023 5.072 -2.392 80 HB3 CYS 14 HB3 CYS 14 -0.004 5.178 -0.632 81 H ASN 15 H ASN 15 -0.331 7.430 0.115 82 HA ASN 15 HA ASN 15 -0.138 9.833 -1.561 83 HB2 ASN 15 HB2 ASN 15 0.287 9.496 1.410 84 HB3 ASN 15 HB3 ASN 15 0.491 11.004 0.533 85 HD21 ASN 15 HD21 ASN 15 -1.748 8.718 1.813 86 HD22 ASN 15 HD22 ASN 15 -3.162 9.661 1.588 87 H THR 16 H THR 16 1.867 7.804 0.589 88 HA THR 16 HA THR 16 4.291 9.034 0.278 89 HB THR 16 HB THR 16 3.838 6.051 0.540 90 HG1 THR 16 HG1 THR 16 2.811 7.124 2.195 91 HG21 THR 16 HG21 THR 16 6.043 6.028 1.609 92 HG22 THR 16 HG22 THR 16 6.209 7.761 1.329 93 HG23 THR 16 HG23 THR 16 6.168 6.648 -0.038 94 HA PRO 17 HA PRO 17 5.203 8.417 -4.122 95 HB2 PRO 17 HB2 PRO 17 7.735 9.685 -3.248 96 HB3 PRO 17 HB3 PRO 17 6.643 10.166 -4.551 97 HG2 PRO 17 HG2 PRO 17 6.785 11.576 -2.293 98 HG3 PRO 17 HG3 PRO 17 5.239 11.322 -3.123 99 HD2 PRO 17 HD2 PRO 17 6.325 9.961 -0.693 100 HD3 PRO 17 HD3 PRO 17 4.676 10.525 -1.044 101 H GLY 18 H GLY 18 5.816 6.422 -4.609 102 HA2 GLY 18 HA2 GLY 18 7.761 4.971 -4.899 103 HA3 GLY 18 HA3 GLY 18 8.149 5.282 -3.203 104 H CYS 19 H CYS 19 5.033 5.216 -3.000 105 HA CYS 19 HA CYS 19 4.870 2.293 -2.791 106 HB2 CYS 19 HB2 CYS 19 3.241 4.340 -1.312 107 HB3 CYS 19 HB3 CYS 19 3.140 2.611 -1.141 108 H THR 20 H THR 20 2.779 1.399 -3.123 109 HA THR 20 HA THR 20 0.903 2.857 -4.764 110 HB THR 20 HB THR 20 0.877 0.635 -6.105 111 HG1 THR 20 HG1 THR 20 3.266 -0.008 -6.292 112 HG21 THR 20 HG21 THR 20 1.427 2.808 -7.120 113 HG22 THR 20 HG22 THR 20 2.470 1.541 -7.764 114 HG23 THR 20 HG23 THR 20 3.086 2.657 -6.544 115 H CYS 21 H CYS 21 -1.156 1.612 -4.841 116 HA CYS 21 HA CYS 21 -1.499 0.070 -2.415 117 HB2 CYS 21 HB2 CYS 21 -3.107 1.907 -2.995 118 HB3 CYS 21 HB3 CYS 21 -3.562 0.978 -4.423 119 H SER 22 H SER 22 -0.410 -1.755 -3.073 120 HA SER 22 HA SER 22 -1.589 -3.201 -5.327 121 HB2 SER 22 HB2 SER 22 0.876 -2.840 -5.371 122 HB3 SER 22 HB3 SER 22 1.018 -3.789 -3.895 123 HG SER 22 HG SER 22 0.397 -5.604 -5.003 124 H TRP 23 H TRP 23 -1.062 -3.351 -1.870 125 HA TRP 23 HA TRP 23 -2.519 -5.880 -1.861 126 HB2 TRP 23 HB2 TRP 23 -0.479 -4.806 0.090 127 HB3 TRP 23 HB3 TRP 23 -1.562 -6.130 0.497 128 HD1 TRP 23 HD1 TRP 23 1.024 -5.351 -2.301 129 HE1 TRP 23 HE1 TRP 23 2.260 -7.544 -2.855 130 HE3 TRP 23 HE3 TRP 23 -1.461 -8.478 0.845 131 HZ2 TRP 23 HZ2 TRP 23 2.198 -10.248 -2.030 132 HZ3 TRP 23 HZ3 TRP 23 -0.813 -10.851 0.916 133 HH2 TRP 23 HH2 TRP 23 0.978 -11.706 -0.495 134 H TRP 24 H TRP 24 -4.235 -4.344 -2.236 135 HA TRP 24 HA TRP 24 -5.097 -2.344 -0.539 136 HB2 TRP 24 HB2 TRP 24 -6.004 -2.781 -2.808 137 HB3 TRP 24 HB3 TRP 24 -6.805 -4.223 -2.203 138 HD1 TRP 24 HD1 TRP 24 -7.024 -0.412 -2.114 139 HE1 TRP 24 HE1 TRP 24 -9.413 0.254 -1.259 140 HE3 TRP 24 HE3 TRP 24 -8.786 -5.020 -0.823 141 HZ2 TRP 24 HZ2 TRP 24 -11.661 -1.004 -0.221 142 HZ3 TRP 24 HZ3 TRP 24 -11.056 -5.202 0.097 143 HH2 TRP 24 HH2 TRP 24 -12.456 -3.238 0.386 144 HA PRO 25 HA PRO 25 -6.442 -1.369 0.590 145 HB2 PRO 25 HB2 PRO 25 -7.250 -0.787 3.197 146 HB3 PRO 25 HB3 PRO 25 -8.311 -1.058 1.816 147 HG2 PRO 25 HG2 PRO 25 -8.097 -2.696 4.106 148 HG3 PRO 25 HG3 PRO 25 -8.936 -3.096 2.601 149 HD2 PRO 25 HD2 PRO 25 -6.186 -3.835 3.499 150 HD3 PRO 25 HD3 PRO 25 -7.365 -4.793 2.569 151 H VAL 26 H VAL 26 -3.885 -2.780 1.550 152 HA VAL 26 HA VAL 26 -2.859 -0.618 3.256 153 HB VAL 26 HB VAL 26 -1.743 -3.425 2.856 154 HG11 VAL 26 HG11 VAL 26 -0.155 -2.875 4.655 155 HG12 VAL 26 HG12 VAL 26 -0.785 -1.229 4.704 156 HG13 VAL 26 HG13 VAL 26 0.049 -1.806 3.268 157 HG21 VAL 26 HG21 VAL 26 -2.360 -3.807 5.194 158 HG22 VAL 26 HG22 VAL 26 -3.771 -3.438 4.200 159 HG23 VAL 26 HG23 VAL 26 -3.090 -2.204 5.258 160 H CYS 27 H CYS 27 -0.968 0.488 2.531 161 HA CYS 27 HA CYS 27 -0.503 0.138 -0.280 162 HB2 CYS 27 HB2 CYS 27 0.780 2.070 1.586 163 HB3 CYS 27 HB3 CYS 27 0.830 2.074 -0.140 164 H THR 28 H THR 28 1.393 -0.212 -1.068 165 HA THR 28 HA THR 28 3.355 -1.519 0.642 166 HB THR 28 HB THR 28 3.533 -3.114 -1.410 167 HG1 THR 28 HG1 THR 28 2.016 -2.248 -2.719 168 HG21 THR 28 HG21 THR 28 1.986 -4.655 -0.303 169 HG22 THR 28 HG22 THR 28 1.394 -3.307 0.708 170 HG23 THR 28 HG23 THR 28 3.091 -3.827 0.783 171 H ARG 29 H ARG 29 5.416 -1.857 -0.484 172 HA ARG 29 HA ARG 29 5.995 0.536 -1.927 173 HB2 ARG 29 HB2 ARG 29 7.417 -0.579 -0.057 174 HB3 ARG 29 HB3 ARG 29 8.034 -1.602 -1.343 175 HG2 ARG 29 HG2 ARG 29 9.582 0.104 -1.270 176 HG3 ARG 29 HG3 ARG 29 8.489 0.656 -2.549 177 HD2 ARG 29 HD2 ARG 29 8.622 2.581 -1.236 178 HD3 ARG 29 HD3 ARG 29 7.215 1.736 -0.563 179 HE ARG 29 HE ARG 29 9.594 0.943 0.739 180 HH11 ARG 29 HH11 ARG 29 7.190 3.551 0.750 181 HH12 ARG 29 HH12 ARG 29 7.562 4.060 2.332 182 HH21 ARG 29 HH21 ARG 29 10.072 1.640 2.870 183 HH22 ARG 29 HH22 ARG 29 9.233 2.944 3.580 184 H ASN 30 H ASN 30 7.055 -2.862 -2.470 185 HA ASN 30 HA ASN 30 6.462 -2.660 -5.279 186 HB2 ASN 30 HB2 ASN 30 8.221 -4.291 -5.455 187 HB3 ASN 30 HB3 ASN 30 8.886 -2.810 -4.745 188 HD21 ASN 30 HD21 ASN 30 9.570 -5.731 -4.643 189 HD22 ASN 30 HD22 ASN 30 9.672 -6.080 -2.945 Start of MODEL 10 1 H1 GLY 1 H GLY 1 5.378 -3.073 -3.397 2 HA2 GLY 1 HA2 GLY 1 4.127 -5.018 -3.228 3 HA3 GLY 1 HA3 GLY 1 5.567 -5.969 -3.645 4 H LEU 2 H LEU 2 6.279 -3.511 -1.493 5 HA LEU 2 HA LEU 2 6.275 -5.474 0.716 6 HB2 LEU 2 HB2 LEU 2 8.525 -4.708 -0.179 7 HB3 LEU 2 HB3 LEU 2 8.122 -3.108 0.395 8 HG LEU 2 HG LEU 2 8.017 -3.981 2.706 9 HD11 LEU 2 HD11 LEU 2 9.043 -6.524 1.461 10 HD12 LEU 2 HD12 LEU 2 7.480 -6.302 2.248 11 HD13 LEU 2 HD13 LEU 2 8.965 -6.187 3.188 12 HD21 LEU 2 HD21 LEU 2 10.056 -2.941 1.872 13 HD22 LEU 2 HD22 LEU 2 10.617 -4.498 1.263 14 HD23 LEU 2 HD23 LEU 2 10.429 -4.245 2.997 15 HA PRO 3 HA PRO 3 3.459 -2.331 2.345 16 HB2 PRO 3 HB2 PRO 3 2.513 -3.779 4.415 17 HB3 PRO 3 HB3 PRO 3 1.918 -3.964 2.760 18 HG2 PRO 3 HG2 PRO 3 3.815 -5.680 4.297 19 HG3 PRO 3 HG3 PRO 3 2.583 -6.151 3.121 20 HD2 PRO 3 HD2 PRO 3 5.276 -5.980 2.562 21 HD3 PRO 3 HD3 PRO 3 3.996 -5.843 1.345 22 H VAL 4 H VAL 4 5.388 -1.207 2.849 23 HA VAL 4 HA VAL 4 5.856 -1.062 5.749 24 HB VAL 4 HB VAL 4 8.284 -0.546 5.295 25 HG11 VAL 4 HG11 VAL 4 7.307 -3.285 4.501 26 HG12 VAL 4 HG12 VAL 4 7.673 -2.731 6.133 27 HG13 VAL 4 HG13 VAL 4 8.968 -2.896 4.945 28 HG21 VAL 4 HG21 VAL 4 8.122 0.040 2.946 29 HG22 VAL 4 HG22 VAL 4 7.601 -1.599 2.553 30 HG23 VAL 4 HG23 VAL 4 9.234 -1.316 3.159 31 H CYS 5 H CYS 5 4.302 0.418 3.751 32 HA CYS 5 HA CYS 5 5.625 3.010 3.506 33 HB2 CYS 5 HB2 CYS 5 2.911 2.051 2.680 34 HB3 CYS 5 HB3 CYS 5 3.583 3.644 2.350 35 H GLY 6 H GLY 6 3.519 1.397 5.501 36 HA2 GLY 6 HA2 GLY 6 2.842 1.997 7.623 37 HA3 GLY 6 HA3 GLY 6 3.618 3.554 7.352 38 H GLU 7 H GLU 7 1.682 3.139 4.825 39 HA GLU 7 HA GLU 7 -0.643 4.244 6.251 40 HB2 GLU 7 HB2 GLU 7 -1.106 5.837 4.529 41 HB3 GLU 7 HB3 GLU 7 0.617 5.936 4.865 42 HG2 GLU 7 HG2 GLU 7 1.132 4.700 2.892 43 HG3 GLU 7 HG3 GLU 7 -0.571 4.426 2.572 44 H THR 8 H THR 8 -2.571 4.236 4.537 45 HA THR 8 HA THR 8 -2.708 1.538 3.453 46 HB THR 8 HB THR 8 -5.151 1.658 4.331 47 HG1 THR 8 HG1 THR 8 -4.345 3.878 5.289 48 HG21 THR 8 HG21 THR 8 -4.498 0.529 6.404 49 HG22 THR 8 HG22 THR 8 -2.832 1.077 6.173 50 HG23 THR 8 HG23 THR 8 -3.570 -0.048 5.021 51 H CYS 9 H CYS 9 -4.470 1.283 1.941 52 HA CYS 9 HA CYS 9 -5.303 3.776 0.720 53 HB2 CYS 9 HB2 CYS 9 -4.982 2.531 -1.463 54 HB3 CYS 9 HB3 CYS 9 -3.511 3.034 -0.641 55 H VAL 10 H VAL 10 -7.366 3.476 1.673 56 HA VAL 10 HA VAL 10 -8.756 0.997 1.226 57 HB VAL 10 HB VAL 10 -9.797 3.659 2.206 58 HG11 VAL 10 HG11 VAL 10 -11.628 2.314 1.249 59 HG12 VAL 10 HG12 VAL 10 -11.781 2.400 3.004 60 HG13 VAL 10 HG13 VAL 10 -11.146 0.941 2.245 61 HG21 VAL 10 HG21 VAL 10 -9.092 1.148 3.715 62 HG22 VAL 10 HG22 VAL 10 -9.779 2.610 4.426 63 HG23 VAL 10 HG23 VAL 10 -8.171 2.651 3.698 64 H GLY 11 H GLY 11 -8.539 4.079 -0.315 65 HA2 GLY 11 HA2 GLY 11 -10.579 3.386 -2.274 66 HA3 GLY 11 HA3 GLY 11 -9.655 4.884 -2.214 67 H GLY 12 H GLY 12 -7.198 3.140 -1.842 68 HA2 GLY 12 HA2 GLY 12 -5.940 1.620 -3.244 69 HA3 GLY 12 HA3 GLY 12 -6.979 2.094 -4.580 70 H THR 13 H THR 13 -5.926 4.631 -2.586 71 HA THR 13 HA THR 13 -3.934 5.406 -4.565 72 HB THR 13 HB THR 13 -5.775 7.156 -2.987 73 HG1 THR 13 HG1 THR 13 -5.953 6.089 -5.626 74 HG21 THR 13 HG21 THR 13 -5.057 8.914 -4.595 75 HG22 THR 13 HG22 THR 13 -3.937 7.742 -5.301 76 HG23 THR 13 HG23 THR 13 -3.723 8.270 -3.635 77 H CYS 14 H CYS 14 -2.093 5.552 -3.637 78 HA CYS 14 HA CYS 14 -1.875 5.943 -0.738 79 HB2 CYS 14 HB2 CYS 14 0.228 5.011 -2.696 80 HB3 CYS 14 HB3 CYS 14 0.388 5.059 -0.940 81 H ASN 15 H ASN 15 -0.534 7.497 0.134 82 HA ASN 15 HA ASN 15 -0.242 9.886 -1.500 83 HB2 ASN 15 HB2 ASN 15 0.138 9.474 1.467 84 HB3 ASN 15 HB3 ASN 15 0.212 11.024 0.647 85 HD21 ASN 15 HD21 ASN 15 -1.786 8.523 1.852 86 HD22 ASN 15 HD22 ASN 15 -3.301 9.307 1.667 87 H THR 16 H THR 16 1.716 7.924 0.702 88 HA THR 16 HA THR 16 4.138 9.179 0.495 89 HB THR 16 HB THR 16 3.634 6.204 0.732 90 HG1 THR 16 HG1 THR 16 2.639 7.375 2.356 91 HG21 THR 16 HG21 THR 16 5.975 6.678 0.152 92 HG22 THR 16 HG22 THR 16 5.845 6.121 1.820 93 HG23 THR 16 HG23 THR 16 6.074 7.837 1.476 94 HA PRO 17 HA PRO 17 5.035 8.802 -3.917 95 HB2 PRO 17 HB2 PRO 17 7.653 9.837 -2.963 96 HB3 PRO 17 HB3 PRO 17 6.605 10.464 -4.239 97 HG2 PRO 17 HG2 PRO 17 6.806 11.710 -1.893 98 HG3 PRO 17 HG3 PRO 17 5.259 11.612 -2.750 99 HD2 PRO 17 HD2 PRO 17 6.216 10.056 -0.388 100 HD3 PRO 17 HD3 PRO 17 4.597 10.701 -0.749 101 H GLY 18 H GLY 18 5.506 6.852 -4.625 102 HA2 GLY 18 HA2 GLY 18 7.297 5.353 -5.194 103 HA3 GLY 18 HA3 GLY 18 7.905 5.524 -3.545 104 H CYS 19 H CYS 19 4.796 5.432 -2.992 105 HA CYS 19 HA CYS 19 4.805 2.513 -2.854 106 HB2 CYS 19 HB2 CYS 19 3.073 4.431 -1.332 107 HB3 CYS 19 HB3 CYS 19 3.074 2.700 -1.185 108 H THR 20 H THR 20 2.897 1.438 -3.164 109 HA THR 20 HA THR 20 0.910 2.655 -4.894 110 HB THR 20 HB THR 20 1.227 0.251 -6.067 111 HG1 THR 20 HG1 THR 20 3.896 1.031 -5.873 112 HG21 THR 20 HG21 THR 20 2.445 1.426 -7.883 113 HG22 THR 20 HG22 THR 20 2.721 2.782 -6.786 114 HG23 THR 20 HG23 THR 20 1.081 2.360 -7.274 115 H CYS 21 H CYS 21 -1.048 1.386 -4.920 116 HA CYS 21 HA CYS 21 -1.394 -0.095 -2.461 117 HB2 CYS 21 HB2 CYS 21 -2.988 1.731 -3.192 118 HB3 CYS 21 HB3 CYS 21 -3.462 0.669 -4.518 119 H SER 22 H SER 22 -0.309 -1.959 -3.037 120 HA SER 22 HA SER 22 -1.389 -3.459 -5.291 121 HB2 SER 22 HB2 SER 22 1.107 -3.222 -4.947 122 HB3 SER 22 HB3 SER 22 0.936 -4.249 -3.531 123 HG SER 22 HG SER 22 0.419 -4.841 -6.217 124 H TRP 23 H TRP 23 -0.571 -4.143 -1.859 125 HA TRP 23 HA TRP 23 -2.566 -6.252 -1.932 126 HB2 TRP 23 HB2 TRP 23 -0.325 -6.727 -0.907 127 HB3 TRP 23 HB3 TRP 23 -0.664 -5.512 0.317 128 HD1 TRP 23 HD1 TRP 23 -2.232 -6.220 2.332 129 HE1 TRP 23 HE1 TRP 23 -3.184 -8.502 3.115 130 HE3 TRP 23 HE3 TRP 23 -1.279 -8.983 -1.858 131 HZ2 TRP 23 HZ2 TRP 23 -3.491 -11.103 2.072 132 HZ3 TRP 23 HZ3 TRP 23 -1.937 -11.352 -1.888 133 HH2 TRP 23 HH2 TRP 23 -3.021 -12.384 0.042 134 H TRP 24 H TRP 24 -4.228 -4.803 -2.188 135 HA TRP 24 HA TRP 24 -4.894 -2.637 -0.612 136 HB2 TRP 24 HB2 TRP 24 -5.951 -3.223 -2.782 137 HB3 TRP 24 HB3 TRP 24 -6.784 -4.558 -2.001 138 HD1 TRP 24 HD1 TRP 24 -6.793 -0.739 -2.220 139 HE1 TRP 24 HE1 TRP 24 -9.089 0.125 -1.321 140 HE3 TRP 24 HE3 TRP 24 -8.726 -5.127 -0.501 141 HZ2 TRP 24 HZ2 TRP 24 -11.364 -0.924 -0.090 142 HZ3 TRP 24 HZ3 TRP 24 -10.956 -5.117 0.525 143 HH2 TRP 24 HH2 TRP 24 -12.243 -3.055 0.726 144 HA PRO 25 HA PRO 25 -6.195 -1.533 0.436 145 HB2 PRO 25 HB2 PRO 25 -7.110 -0.509 2.730 146 HB3 PRO 25 HB3 PRO 25 -8.165 -1.400 1.631 147 HG2 PRO 25 HG2 PRO 25 -7.118 -2.194 4.264 148 HG3 PRO 25 HG3 PRO 25 -8.522 -2.809 3.381 149 HD2 PRO 25 HD2 PRO 25 -5.850 -3.927 3.542 150 HD3 PRO 25 HD3 PRO 25 -7.292 -4.617 2.779 151 H VAL 26 H VAL 26 -3.710 -2.859 1.412 152 HA VAL 26 HA VAL 26 -2.628 -0.749 3.130 153 HB VAL 26 HB VAL 26 -1.544 -3.542 2.616 154 HG11 VAL 26 HG11 VAL 26 -0.667 -1.457 4.607 155 HG12 VAL 26 HG12 VAL 26 0.205 -1.940 3.154 156 HG13 VAL 26 HG13 VAL 26 -0.014 -3.091 4.472 157 HG21 VAL 26 HG21 VAL 26 -2.990 -2.479 5.044 158 HG22 VAL 26 HG22 VAL 26 -2.221 -4.061 4.924 159 HG23 VAL 26 HG23 VAL 26 -3.604 -3.673 3.901 160 H CYS 27 H CYS 27 -0.775 0.375 2.357 161 HA CYS 27 HA CYS 27 -0.333 0.021 -0.453 162 HB2 CYS 27 HB2 CYS 27 0.957 1.939 1.442 163 HB3 CYS 27 HB3 CYS 27 1.099 1.923 -0.280 164 H THR 28 H THR 28 1.602 -0.255 -1.259 165 HA THR 28 HA THR 28 3.577 -1.613 0.386 166 HB THR 28 HB THR 28 3.837 -3.077 -1.721 167 HG1 THR 28 HG1 THR 28 2.450 -2.120 -3.112 168 HG21 THR 28 HG21 THR 28 2.173 -4.658 -0.861 169 HG22 THR 28 HG22 THR 28 1.463 -3.332 0.095 170 HG23 THR 28 HG23 THR 28 3.117 -3.865 0.409 171 H ARG 29 H ARG 29 5.652 -1.670 -0.638 172 HA ARG 29 HA ARG 29 6.140 0.852 -1.906 173 HB2 ARG 29 HB2 ARG 29 7.485 -0.272 -0.019 174 HB3 ARG 29 HB3 ARG 29 8.252 -1.198 -1.296 175 HG2 ARG 29 HG2 ARG 29 9.680 0.585 -1.061 176 HG3 ARG 29 HG3 ARG 29 8.622 1.154 -2.362 177 HD2 ARG 29 HD2 ARG 29 8.602 2.972 -0.895 178 HD3 ARG 29 HD3 ARG 29 7.165 2.017 -0.457 179 HE ARG 29 HE ARG 29 9.204 1.042 1.087 180 HH11 ARG 29 HH11 ARG 29 7.522 4.134 0.830 181 HH12 ARG 29 HH12 ARG 29 7.834 4.598 2.439 182 HH21 ARG 29 HH21 ARG 29 9.650 1.658 3.251 183 HH22 ARG 29 HH22 ARG 29 9.048 3.124 3.874 184 H ASN 30 H ASN 30 7.472 -2.396 -2.559 185 HA ASN 30 HA ASN 30 7.029 -2.109 -5.379 186 HB2 ASN 30 HB2 ASN 30 9.170 -3.372 -5.484 187 HB3 ASN 30 HB3 ASN 30 9.401 -1.690 -4.974 188 HD21 ASN 30 HD21 ASN 30 9.695 -5.035 -4.184 189 HD22 ASN 30 HD22 ASN 30 10.468 -4.835 -2.661 Start of MODEL 11 1 H1 GLY 1 H GLY 1 4.919 -3.303 -2.562 2 HA2 GLY 1 HA2 GLY 1 3.232 -4.837 -2.129 3 HA3 GLY 1 HA3 GLY 1 4.332 -6.140 -2.653 4 H LEU 2 H LEU 2 5.858 -3.819 -0.846 5 HA LEU 2 HA LEU 2 5.994 -5.610 1.496 6 HB2 LEU 2 HB2 LEU 2 8.081 -5.079 0.212 7 HB3 LEU 2 HB3 LEU 2 7.845 -3.396 0.622 8 HG LEU 2 HG LEU 2 8.134 -3.988 3.020 9 HD11 LEU 2 HD11 LEU 2 7.508 -6.344 2.914 10 HD12 LEU 2 HD12 LEU 2 9.120 -6.140 3.595 11 HD13 LEU 2 HD13 LEU 2 8.931 -6.679 1.928 12 HD21 LEU 2 HD21 LEU 2 10.562 -4.286 2.878 13 HD22 LEU 2 HD22 LEU 2 9.981 -3.096 1.714 14 HD23 LEU 2 HD23 LEU 2 10.404 -4.723 1.176 15 HA PRO 3 HA PRO 3 3.697 -2.251 3.407 16 HB2 PRO 3 HB2 PRO 3 3.293 -3.343 5.814 17 HB3 PRO 3 HB3 PRO 3 2.400 -3.875 4.382 18 HG2 PRO 3 HG2 PRO 3 4.773 -5.137 5.705 19 HG3 PRO 3 HG3 PRO 3 3.326 -5.916 5.051 20 HD2 PRO 3 HD2 PRO 3 5.709 -5.788 3.719 21 HD3 PRO 3 HD3 PRO 3 4.139 -5.881 2.894 22 H VAL 4 H VAL 4 5.641 -1.061 3.251 23 HA VAL 4 HA VAL 4 6.766 -0.456 5.913 24 HB VAL 4 HB VAL 4 8.901 0.252 4.758 25 HG11 VAL 4 HG11 VAL 4 8.134 -2.650 4.530 26 HG12 VAL 4 HG12 VAL 4 8.839 -1.848 5.933 27 HG13 VAL 4 HG13 VAL 4 9.786 -2.037 4.456 28 HG21 VAL 4 HG21 VAL 4 8.031 0.502 2.487 29 HG22 VAL 4 HG22 VAL 4 7.717 -1.231 2.402 30 HG23 VAL 4 HG23 VAL 4 9.376 -0.640 2.513 31 H CYS 5 H CYS 5 4.541 0.567 4.269 32 HA CYS 5 HA CYS 5 5.520 3.230 3.680 33 HB2 CYS 5 HB2 CYS 5 2.920 1.912 2.939 34 HB3 CYS 5 HB3 CYS 5 3.402 3.541 2.481 35 H GLY 6 H GLY 6 3.499 1.422 5.691 36 HA2 GLY 6 HA2 GLY 6 2.699 1.894 7.770 37 HA3 GLY 6 HA3 GLY 6 3.292 3.546 7.578 38 H GLU 7 H GLU 7 1.626 3.177 4.967 39 HA GLU 7 HA GLU 7 -0.834 4.132 6.246 40 HB2 GLU 7 HB2 GLU 7 -1.304 5.522 4.342 41 HB3 GLU 7 HB3 GLU 7 0.336 5.841 4.883 42 HG2 GLU 7 HG2 GLU 7 1.199 4.456 3.105 43 HG3 GLU 7 HG3 GLU 7 -0.428 4.088 2.580 44 H THR 8 H THR 8 -2.648 4.042 4.533 45 HA THR 8 HA THR 8 -2.838 1.314 3.552 46 HB THR 8 HB THR 8 -5.272 1.519 4.316 47 HG1 THR 8 HG1 THR 8 -5.725 2.945 5.903 48 HG21 THR 8 HG21 THR 8 -4.751 0.662 6.549 49 HG22 THR 8 HG22 THR 8 -3.097 1.253 6.387 50 HG23 THR 8 HG23 THR 8 -3.682 -0.038 5.333 51 H CYS 9 H CYS 9 -4.623 1.111 2.025 52 HA CYS 9 HA CYS 9 -5.279 3.611 0.764 53 HB2 CYS 9 HB2 CYS 9 -5.169 2.332 -1.428 54 HB3 CYS 9 HB3 CYS 9 -3.628 2.746 -0.702 55 H VAL 10 H VAL 10 -7.310 3.543 1.765 56 HA VAL 10 HA VAL 10 -8.897 1.157 1.533 57 HB VAL 10 HB VAL 10 -9.836 3.925 2.337 58 HG11 VAL 10 HG11 VAL 10 -11.647 2.399 1.808 59 HG12 VAL 10 HG12 VAL 10 -11.605 2.730 3.541 60 HG13 VAL 10 HG13 VAL 10 -10.985 1.201 2.920 61 HG21 VAL 10 HG21 VAL 10 -8.729 1.734 4.089 62 HG22 VAL 10 HG22 VAL 10 -9.487 3.213 4.675 63 HG23 VAL 10 HG23 VAL 10 -7.978 3.295 3.765 64 H GLY 11 H GLY 11 -8.531 4.204 -0.041 65 HA2 GLY 11 HA2 GLY 11 -10.684 3.706 -1.931 66 HA3 GLY 11 HA3 GLY 11 -9.655 5.127 -1.868 67 H GLY 12 H GLY 12 -7.308 3.230 -1.647 68 HA2 GLY 12 HA2 GLY 12 -6.176 1.678 -3.132 69 HA3 GLY 12 HA3 GLY 12 -7.292 2.187 -4.389 70 H THR 13 H THR 13 -5.958 4.674 -2.497 71 HA THR 13 HA THR 13 -4.024 5.309 -4.597 72 HB THR 13 HB THR 13 -5.806 7.278 -3.223 73 HG1 THR 13 HG1 THR 13 -6.230 5.661 -5.451 74 HG21 THR 13 HG21 THR 13 -4.063 7.502 -5.677 75 HG22 THR 13 HG22 THR 13 -3.745 8.203 -4.090 76 HG23 THR 13 HG23 THR 13 -5.102 8.785 -5.054 77 H CYS 14 H CYS 14 -2.156 5.468 -3.645 78 HA CYS 14 HA CYS 14 -1.990 5.938 -0.767 79 HB2 CYS 14 HB2 CYS 14 0.128 4.986 -2.688 80 HB3 CYS 14 HB3 CYS 14 0.249 5.028 -0.930 81 H ASN 15 H ASN 15 -0.498 7.370 0.134 82 HA ASN 15 HA ASN 15 -0.157 9.803 -1.429 83 HB2 ASN 15 HB2 ASN 15 -1.196 10.053 0.769 84 HB3 ASN 15 HB3 ASN 15 0.195 9.296 1.532 85 HD21 ASN 15 HD21 ASN 15 -0.961 12.132 -0.101 86 HD22 ASN 15 HD22 ASN 15 0.309 13.197 0.388 87 H THR 16 H THR 16 1.811 7.773 0.733 88 HA THR 16 HA THR 16 4.252 8.986 0.379 89 HB THR 16 HB THR 16 3.785 6.007 0.715 90 HG1 THR 16 HG1 THR 16 2.706 7.057 2.321 91 HG21 THR 16 HG21 THR 16 6.125 6.594 0.200 92 HG22 THR 16 HG22 THR 16 5.964 6.044 1.868 93 HG23 THR 16 HG23 THR 16 6.122 7.766 1.519 94 HA PRO 17 HA PRO 17 4.772 8.261 -4.006 95 HB2 PRO 17 HB2 PRO 17 7.241 9.510 -4.179 96 HB3 PRO 17 HB3 PRO 17 5.689 10.330 -4.331 97 HG2 PRO 17 HG2 PRO 17 7.554 10.223 -2.044 98 HG3 PRO 17 HG3 PRO 17 6.432 11.503 -2.516 99 HD2 PRO 17 HD2 PRO 17 6.019 9.751 -0.439 100 HD3 PRO 17 HD3 PRO 17 4.723 10.607 -1.294 101 H GLY 18 H GLY 18 5.241 6.313 -4.532 102 HA2 GLY 18 HA2 GLY 18 7.131 4.887 -5.198 103 HA3 GLY 18 HA3 GLY 18 7.751 5.128 -3.560 104 H CYS 19 H CYS 19 4.683 5.082 -2.937 105 HA CYS 19 HA CYS 19 4.613 2.164 -2.700 106 HB2 CYS 19 HB2 CYS 19 2.876 4.140 -1.249 107 HB3 CYS 19 HB3 CYS 19 2.963 2.428 -0.989 108 H THR 20 H THR 20 2.667 1.124 -3.063 109 HA THR 20 HA THR 20 0.735 2.462 -4.758 110 HB THR 20 HB THR 20 0.789 0.173 -5.996 111 HG1 THR 20 HG1 THR 20 3.536 0.274 -5.553 112 HG21 THR 20 HG21 THR 20 1.249 2.304 -7.103 113 HG22 THR 20 HG22 THR 20 2.378 1.074 -7.669 114 HG23 THR 20 HG23 THR 20 2.903 2.278 -6.492 115 H CYS 21 H CYS 21 -1.293 1.217 -4.823 116 HA CYS 21 HA CYS 21 -1.745 -0.187 -2.342 117 HB2 CYS 21 HB2 CYS 21 -3.378 1.499 -3.402 118 HB3 CYS 21 HB3 CYS 21 -3.710 0.245 -4.596 119 H SER 22 H SER 22 -0.068 -1.713 -3.266 120 HA SER 22 HA SER 22 -0.752 -3.472 -5.378 121 HB2 SER 22 HB2 SER 22 1.591 -3.059 -4.699 122 HB3 SER 22 HB3 SER 22 1.280 -3.865 -3.165 123 HG SER 22 HG SER 22 0.523 -5.562 -5.002 124 H TRP 23 H TRP 23 -1.204 -3.591 -1.899 125 HA TRP 23 HA TRP 23 -2.878 -5.937 -2.334 126 HB2 TRP 23 HB2 TRP 23 -1.082 -5.530 0.078 127 HB3 TRP 23 HB3 TRP 23 -2.185 -6.874 -0.174 128 HD1 TRP 23 HD1 TRP 23 1.329 -5.882 -0.674 129 HE1 TRP 23 HE1 TRP 23 2.577 -7.620 -2.114 130 HE3 TRP 23 HE3 TRP 23 -2.677 -8.526 -2.422 131 HZ2 TRP 23 HZ2 TRP 23 1.944 -9.805 -3.765 132 HZ3 TRP 23 HZ3 TRP 23 -2.255 -10.423 -3.941 133 HH2 TRP 23 HH2 TRP 23 0.007 -11.037 -4.590 134 H TRP 24 H TRP 24 -4.641 -4.639 -2.383 135 HA TRP 24 HA TRP 24 -5.238 -2.512 -0.685 136 HB2 TRP 24 HB2 TRP 24 -6.396 -2.965 -2.839 137 HB3 TRP 24 HB3 TRP 24 -7.143 -4.388 -2.128 138 HD1 TRP 24 HD1 TRP 24 -7.279 -0.557 -1.981 139 HE1 TRP 24 HE1 TRP 24 -9.563 0.146 -0.949 140 HE3 TRP 24 HE3 TRP 24 -9.069 -5.171 -0.722 141 HZ2 TRP 24 HZ2 TRP 24 -11.805 -1.104 0.182 142 HZ3 TRP 24 HZ3 TRP 24 -11.296 -5.331 0.322 143 HH2 TRP 24 HH2 TRP 24 -12.623 -3.338 0.761 144 HA PRO 25 HA PRO 25 -6.460 -1.489 0.520 145 HB2 PRO 25 HB2 PRO 25 -7.235 -0.805 3.089 146 HB3 PRO 25 HB3 PRO 25 -8.338 -1.223 1.777 147 HG2 PRO 25 HG2 PRO 25 -7.907 -2.685 4.178 148 HG3 PRO 25 HG3 PRO 25 -8.872 -3.183 2.782 149 HD2 PRO 25 HD2 PRO 25 -6.059 -3.881 3.487 150 HD3 PRO 25 HD3 PRO 25 -7.294 -4.858 2.662 151 H VAL 26 H VAL 26 -3.897 -2.783 1.239 152 HA VAL 26 HA VAL 26 -2.818 -0.862 3.185 153 HB VAL 26 HB VAL 26 -1.716 -3.563 2.364 154 HG11 VAL 26 HG11 VAL 26 -0.724 -1.657 4.490 155 HG12 VAL 26 HG12 VAL 26 0.054 -1.978 2.950 156 HG13 VAL 26 HG13 VAL 26 -0.067 -3.261 4.148 157 HG21 VAL 26 HG21 VAL 26 -3.057 -2.706 4.921 158 HG22 VAL 26 HG22 VAL 26 -2.270 -4.264 4.665 159 HG23 VAL 26 HG23 VAL 26 -3.702 -3.830 3.726 160 H CYS 27 H CYS 27 -1.166 0.517 2.465 161 HA CYS 27 HA CYS 27 -0.438 0.203 -0.291 162 HB2 CYS 27 HB2 CYS 27 0.498 2.207 1.696 163 HB3 CYS 27 HB3 CYS 27 0.846 2.188 0.009 164 H THR 28 H THR 28 1.462 -0.120 -0.869 165 HA THR 28 HA THR 28 3.383 -1.210 1.018 166 HB THR 28 HB THR 28 3.498 -3.206 -0.680 167 HG1 THR 28 HG1 THR 28 0.852 -2.237 -0.888 168 HG21 THR 28 HG21 THR 28 1.300 -2.928 1.361 169 HG22 THR 28 HG22 THR 28 2.982 -3.358 1.678 170 HG23 THR 28 HG23 THR 28 1.954 -4.462 0.751 171 H ARG 29 H ARG 29 5.429 -1.764 -0.125 172 HA ARG 29 HA ARG 29 5.906 0.437 -1.906 173 HB2 ARG 29 HB2 ARG 29 7.384 -0.314 0.112 174 HB3 ARG 29 HB3 ARG 29 8.047 -1.477 -1.027 175 HG2 ARG 29 HG2 ARG 29 9.481 0.409 -1.025 176 HG3 ARG 29 HG3 ARG 29 8.576 0.438 -2.543 177 HD2 ARG 29 HD2 ARG 29 8.358 2.671 -1.826 178 HD3 ARG 29 HD3 ARG 29 6.907 1.868 -1.220 179 HE ARG 29 HE ARG 29 8.330 1.615 0.911 180 HH11 ARG 29 HH11 ARG 29 8.404 4.445 -1.226 181 HH12 ARG 29 HH12 ARG 29 8.512 5.575 0.018 182 HH21 ARG 29 HH21 ARG 29 8.535 3.213 2.673 183 HH22 ARG 29 HH22 ARG 29 8.593 4.856 2.286 184 H ASN 30 H ASN 30 7.093 -2.940 -2.028 185 HA ASN 30 HA ASN 30 6.636 -2.992 -4.887 186 HB2 ASN 30 HB2 ASN 30 8.407 -4.706 -4.745 187 HB3 ASN 30 HB3 ASN 30 9.016 -3.119 -4.248 188 HD21 ASN 30 HD21 ASN 30 8.419 -6.383 -3.336 189 HD22 ASN 30 HD22 ASN 30 9.072 -6.287 -1.752 Start of MODEL 12 1 H1 GLY 1 H GLY 1 5.103 -3.211 -2.921 2 HA2 GLY 1 HA2 GLY 1 4.037 -5.276 -2.750 3 HA3 GLY 1 HA3 GLY 1 5.520 -6.065 -3.319 4 H LEU 2 H LEU 2 5.976 -3.575 -1.000 5 HA LEU 2 HA LEU 2 5.967 -5.587 1.147 6 HB2 LEU 2 HB2 LEU 2 8.237 -5.067 0.201 7 HB3 LEU 2 HB3 LEU 2 8.032 -3.434 0.794 8 HG LEU 2 HG LEU 2 7.879 -4.318 3.102 9 HD11 LEU 2 HD11 LEU 2 8.593 -6.924 1.777 10 HD12 LEU 2 HD12 LEU 2 7.098 -6.557 2.644 11 HD13 LEU 2 HD13 LEU 2 8.631 -6.618 3.510 12 HD21 LEU 2 HD21 LEU 2 10.365 -5.061 1.570 13 HD22 LEU 2 HD22 LEU 2 10.262 -4.829 3.315 14 HD23 LEU 2 HD23 LEU 2 9.984 -3.469 2.226 15 HA PRO 3 HA PRO 3 3.484 -2.177 2.738 16 HB2 PRO 3 HB2 PRO 3 3.043 -3.771 5.110 17 HB3 PRO 3 HB3 PRO 3 1.881 -3.289 3.868 18 HG2 PRO 3 HG2 PRO 3 2.711 -5.865 4.199 19 HG3 PRO 3 HG3 PRO 3 2.213 -5.198 2.637 20 HD2 PRO 3 HD2 PRO 3 4.971 -5.656 3.707 21 HD3 PRO 3 HD3 PRO 3 4.315 -5.918 2.073 22 H VAL 4 H VAL 4 5.513 -1.085 2.976 23 HA VAL 4 HA VAL 4 6.233 -0.768 5.818 24 HB VAL 4 HB VAL 4 8.580 -0.174 5.095 25 HG11 VAL 4 HG11 VAL 4 7.622 -2.976 4.571 26 HG12 VAL 4 HG12 VAL 4 8.162 -2.310 6.111 27 HG13 VAL 4 HG13 VAL 4 9.310 -2.522 4.788 28 HG21 VAL 4 HG21 VAL 4 7.707 -1.420 2.482 29 HG22 VAL 4 HG22 VAL 4 9.365 -0.997 2.909 30 HG23 VAL 4 HG23 VAL 4 8.150 0.268 2.729 31 H CYS 5 H CYS 5 4.482 0.603 3.818 32 HA CYS 5 HA CYS 5 5.697 3.197 3.597 33 HB2 CYS 5 HB2 CYS 5 2.952 2.239 2.840 34 HB3 CYS 5 HB3 CYS 5 3.590 3.845 2.521 35 H GLY 6 H GLY 6 3.591 1.483 5.559 36 HA2 GLY 6 HA2 GLY 6 2.893 1.972 7.716 37 HA3 GLY 6 HA3 GLY 6 3.579 3.579 7.485 38 H GLU 7 H GLU 7 1.745 2.996 4.898 39 HA GLU 7 HA GLU 7 -0.593 4.202 6.191 40 HB2 GLU 7 HB2 GLU 7 -1.036 5.568 4.245 41 HB3 GLU 7 HB3 GLU 7 0.594 5.854 4.825 42 HG2 GLU 7 HG2 GLU 7 1.478 4.472 3.084 43 HG3 GLU 7 HG3 GLU 7 -0.138 4.107 2.514 44 H THR 8 H THR 8 -2.413 4.216 4.415 45 HA THR 8 HA THR 8 -2.843 1.449 3.620 46 HB THR 8 HB THR 8 -5.251 1.943 4.404 47 HG1 THR 8 HG1 THR 8 -5.482 3.451 5.960 48 HG21 THR 8 HG21 THR 8 -3.049 1.487 6.427 49 HG22 THR 8 HG22 THR 8 -3.847 0.249 5.443 50 HG23 THR 8 HG23 THR 8 -4.763 1.129 6.665 51 H CYS 9 H CYS 9 -4.644 1.263 2.140 52 HA CYS 9 HA CYS 9 -5.216 3.668 0.621 53 HB2 CYS 9 HB2 CYS 9 -5.070 2.159 -1.422 54 HB3 CYS 9 HB3 CYS 9 -3.543 2.638 -0.702 55 H VAL 10 H VAL 10 -7.262 3.697 1.610 56 HA VAL 10 HA VAL 10 -8.936 1.368 1.594 57 HB VAL 10 HB VAL 10 -9.652 4.268 2.000 58 HG11 VAL 10 HG11 VAL 10 -11.676 3.418 3.166 59 HG12 VAL 10 HG12 VAL 10 -11.214 1.774 2.728 60 HG13 VAL 10 HG13 VAL 10 -11.639 2.934 1.470 61 HG21 VAL 10 HG21 VAL 10 -9.018 2.141 4.041 62 HG22 VAL 10 HG22 VAL 10 -9.590 3.767 4.414 63 HG23 VAL 10 HG23 VAL 10 -8.025 3.540 3.636 64 H GLY 11 H GLY 11 -8.521 4.187 -0.405 65 HA2 GLY 11 HA2 GLY 11 -10.599 3.345 -2.263 66 HA3 GLY 11 HA3 GLY 11 -9.614 4.798 -2.383 67 H GLY 12 H GLY 12 -7.265 2.951 -1.778 68 HA2 GLY 12 HA2 GLY 12 -6.113 1.219 -3.047 69 HA3 GLY 12 HA3 GLY 12 -7.075 1.706 -4.433 70 H THR 13 H THR 13 -5.900 4.335 -2.643 71 HA THR 13 HA THR 13 -3.672 4.628 -4.470 72 HB THR 13 HB THR 13 -5.486 6.844 -3.515 73 HG1 THR 13 HG1 THR 13 -5.482 5.197 -5.801 74 HG21 THR 13 HG21 THR 13 -3.360 6.729 -5.667 75 HG22 THR 13 HG22 THR 13 -3.200 7.529 -4.104 76 HG23 THR 13 HG23 THR 13 -4.363 8.129 -5.289 77 H CYS 14 H CYS 14 -1.937 5.126 -3.527 78 HA CYS 14 HA CYS 14 -1.862 5.757 -0.653 79 HB2 CYS 14 HB2 CYS 14 0.316 4.606 -2.395 80 HB3 CYS 14 HB3 CYS 14 0.337 4.763 -0.639 81 H ASN 15 H ASN 15 -0.427 7.349 0.053 82 HA ASN 15 HA ASN 15 -0.103 9.497 -1.879 83 HB2 ASN 15 HB2 ASN 15 0.159 9.504 1.126 84 HB3 ASN 15 HB3 ASN 15 0.453 10.908 0.115 85 HD21 ASN 15 HD21 ASN 15 -1.912 8.855 1.535 86 HD22 ASN 15 HD22 ASN 15 -3.285 9.783 1.088 87 H THR 16 H THR 16 1.928 7.785 0.520 88 HA THR 16 HA THR 16 4.222 9.218 0.165 89 HB THR 16 HB THR 16 4.005 6.264 0.779 90 HG1 THR 16 HG1 THR 16 2.965 7.348 2.318 91 HG21 THR 16 HG21 THR 16 6.302 6.879 0.117 92 HG22 THR 16 HG22 THR 16 6.210 6.513 1.838 93 HG23 THR 16 HG23 THR 16 6.292 8.189 1.296 94 HA PRO 17 HA PRO 17 5.474 8.490 -4.062 95 HB2 PRO 17 HB2 PRO 17 8.062 9.384 -3.694 96 HB3 PRO 17 HB3 PRO 17 6.687 10.429 -4.048 97 HG2 PRO 17 HG2 PRO 17 7.974 9.814 -1.428 98 HG3 PRO 17 HG3 PRO 17 7.343 11.356 -2.032 99 HD2 PRO 17 HD2 PRO 17 6.007 9.891 -0.268 100 HD3 PRO 17 HD3 PRO 17 5.157 10.791 -1.544 101 H GLY 18 H GLY 18 5.801 6.475 -4.599 102 HA2 GLY 18 HA2 GLY 18 7.505 4.823 -5.056 103 HA3 GLY 18 HA3 GLY 18 8.088 5.063 -3.411 104 H CYS 19 H CYS 19 4.836 5.242 -3.153 105 HA CYS 19 HA CYS 19 4.676 2.366 -2.635 106 HB2 CYS 19 HB2 CYS 19 2.938 4.517 -1.482 107 HB3 CYS 19 HB3 CYS 19 2.917 2.827 -1.089 108 H THR 20 H THR 20 2.767 1.355 -3.002 109 HA THR 20 HA THR 20 0.774 2.510 -4.712 110 HB THR 20 HB THR 20 1.046 0.203 -5.959 111 HG1 THR 20 HG1 THR 20 3.751 0.703 -5.850 112 HG21 THR 20 HG21 THR 20 1.049 2.359 -7.089 113 HG22 THR 20 HG22 THR 20 2.331 1.342 -7.749 114 HG23 THR 20 HG23 THR 20 2.722 2.634 -6.609 115 H CYS 21 H CYS 21 -1.086 0.992 -4.813 116 HA CYS 21 HA CYS 21 -1.324 -0.428 -2.280 117 HB2 CYS 21 HB2 CYS 21 -2.981 1.339 -2.902 118 HB3 CYS 21 HB3 CYS 21 -3.414 0.328 -4.287 119 H SER 22 H SER 22 -0.094 -2.294 -3.012 120 HA SER 22 HA SER 22 -1.183 -3.818 -5.140 121 HB2 SER 22 HB2 SER 22 1.118 -4.241 -3.266 122 HB3 SER 22 HB3 SER 22 0.767 -5.116 -4.754 123 HG SER 22 HG SER 22 0.957 -3.113 -5.874 124 H TRP 23 H TRP 23 -1.217 -3.709 -1.624 125 HA TRP 23 HA TRP 23 -2.857 -6.123 -1.678 126 HB2 TRP 23 HB2 TRP 23 -0.831 -5.355 0.428 127 HB3 TRP 23 HB3 TRP 23 -2.126 -6.497 0.743 128 HD1 TRP 23 HD1 TRP 23 1.323 -6.283 -0.625 129 HE1 TRP 23 HE1 TRP 23 2.059 -8.590 -1.518 130 HE3 TRP 23 HE3 TRP 23 -3.195 -8.639 -0.582 131 HZ2 TRP 23 HZ2 TRP 23 0.867 -11.071 -2.127 132 HZ3 TRP 23 HZ3 TRP 23 -3.323 -10.976 -1.335 133 HH2 TRP 23 HH2 TRP 23 -1.326 -12.163 -2.092 134 H TRP 24 H TRP 24 -4.460 -4.533 -2.080 135 HA TRP 24 HA TRP 24 -5.207 -2.431 -0.460 136 HB2 TRP 24 HB2 TRP 24 -6.180 -2.873 -2.676 137 HB3 TRP 24 HB3 TRP 24 -6.979 -4.310 -2.050 138 HD1 TRP 24 HD1 TRP 24 -7.112 -0.494 -1.816 139 HE1 TRP 24 HE1 TRP 24 -9.476 0.195 -0.982 140 HE3 TRP 24 HE3 TRP 24 -9.038 -5.121 -0.909 141 HZ2 TRP 24 HZ2 TRP 24 -11.813 -1.069 -0.108 142 HZ3 TRP 24 HZ3 TRP 24 -11.346 -5.302 -0.092 143 HH2 TRP 24 HH2 TRP 24 -12.705 -3.315 0.301 144 HA PRO 25 HA PRO 25 -6.441 -1.345 0.679 145 HB2 PRO 25 HB2 PRO 25 -7.316 -0.527 3.114 146 HB3 PRO 25 HB3 PRO 25 -8.387 -1.107 1.838 147 HG2 PRO 25 HG2 PRO 25 -7.784 -2.352 4.382 148 HG3 PRO 25 HG3 PRO 25 -8.955 -2.857 3.159 149 HD2 PRO 25 HD2 PRO 25 -6.204 -3.817 3.637 150 HD3 PRO 25 HD3 PRO 25 -7.553 -4.623 2.812 151 H VAL 26 H VAL 26 -4.018 -2.859 1.682 152 HA VAL 26 HA VAL 26 -2.889 -0.811 3.460 153 HB VAL 26 HB VAL 26 -1.889 -3.636 2.951 154 HG11 VAL 26 HG11 VAL 26 -0.077 -2.095 3.525 155 HG12 VAL 26 HG12 VAL 26 -0.357 -3.236 4.837 156 HG13 VAL 26 HG13 VAL 26 -0.951 -1.580 4.964 157 HG21 VAL 26 HG21 VAL 26 -2.629 -4.124 5.244 158 HG22 VAL 26 HG22 VAL 26 -3.974 -3.677 4.193 159 HG23 VAL 26 HG23 VAL 26 -3.327 -2.508 5.345 160 H CYS 27 H CYS 27 -0.975 0.230 2.775 161 HA CYS 27 HA CYS 27 -0.509 -0.064 -0.036 162 HB2 CYS 27 HB2 CYS 27 0.671 1.824 1.955 163 HB3 CYS 27 HB3 CYS 27 1.004 1.811 0.251 164 H THR 28 H THR 28 1.475 -0.187 -0.801 165 HA THR 28 HA THR 28 3.413 -1.746 0.737 166 HB THR 28 HB THR 28 3.685 -2.768 -1.635 167 HG1 THR 28 HG1 THR 28 1.732 -1.465 -2.283 168 HG21 THR 28 HG21 THR 28 1.607 -3.737 0.317 169 HG22 THR 28 HG22 THR 28 3.369 -4.012 0.351 170 HG23 THR 28 HG23 THR 28 2.408 -4.669 -0.975 171 H ARG 29 H ARG 29 5.530 -1.647 -0.261 172 HA ARG 29 HA ARG 29 5.853 0.867 -1.542 173 HB2 ARG 29 HB2 ARG 29 7.489 -0.330 0.210 174 HB3 ARG 29 HB3 ARG 29 8.095 -1.004 -1.318 175 HG2 ARG 29 HG2 ARG 29 9.425 0.893 -0.854 176 HG3 ARG 29 HG3 ARG 29 8.339 1.301 -2.188 177 HD2 ARG 29 HD2 ARG 29 8.080 3.179 -0.833 178 HD3 ARG 29 HD3 ARG 29 6.788 2.115 -0.259 179 HE ARG 29 HE ARG 29 9.013 1.523 1.241 180 HH11 ARG 29 HH11 ARG 29 6.784 4.227 0.855 181 HH12 ARG 29 HH12 ARG 29 7.194 4.932 2.366 182 HH21 ARG 29 HH21 ARG 29 9.514 2.515 3.332 183 HH22 ARG 29 HH22 ARG 29 8.730 3.953 3.759 184 H ASN 30 H ASN 30 7.155 -2.373 -2.200 185 HA ASN 30 HA ASN 30 6.333 -2.058 -4.925 186 HB2 ASN 30 HB2 ASN 30 8.857 -1.458 -4.402 187 HB3 ASN 30 HB3 ASN 30 9.029 -3.199 -4.219 188 HD21 ASN 30 HD21 ASN 30 6.995 -1.467 -6.429 189 HD22 ASN 30 HD22 ASN 30 7.758 -2.003 -7.875 Start of MODEL 13 1 H1 GLY 1 H GLY 1 5.469 -2.949 -3.247 2 HA2 GLY 1 HA2 GLY 1 3.935 -4.668 -3.262 3 HA3 GLY 1 HA3 GLY 1 5.227 -5.799 -3.730 4 H LEU 2 H LEU 2 6.183 -3.625 -1.362 5 HA LEU 2 HA LEU 2 5.856 -5.712 0.706 6 HB2 LEU 2 HB2 LEU 2 8.200 -5.270 -0.004 7 HB3 LEU 2 HB3 LEU 2 7.988 -3.594 0.459 8 HG LEU 2 HG LEU 2 7.659 -4.305 2.806 9 HD11 LEU 2 HD11 LEU 2 8.464 -7.015 1.787 10 HD12 LEU 2 HD12 LEU 2 6.879 -6.581 2.422 11 HD13 LEU 2 HD13 LEU 2 8.290 -6.560 3.480 12 HD21 LEU 2 HD21 LEU 2 10.005 -4.834 3.242 13 HD22 LEU 2 HD22 LEU 2 9.837 -3.558 2.036 14 HD23 LEU 2 HD23 LEU 2 10.233 -5.202 1.534 15 HA PRO 3 HA PRO 3 3.432 -2.373 2.472 16 HB2 PRO 3 HB2 PRO 3 2.444 -3.739 4.585 17 HB3 PRO 3 HB3 PRO 3 1.768 -3.853 2.955 18 HG2 PRO 3 HG2 PRO 3 3.535 -5.750 4.414 19 HG3 PRO 3 HG3 PRO 3 2.248 -6.090 3.246 20 HD2 PRO 3 HD2 PRO 3 4.950 -6.140 2.689 21 HD3 PRO 3 HD3 PRO 3 3.679 -5.928 1.474 22 H VAL 4 H VAL 4 5.443 -1.398 2.905 23 HA VAL 4 HA VAL 4 5.952 -1.245 5.797 24 HB VAL 4 HB VAL 4 8.370 -0.656 5.242 25 HG11 VAL 4 HG11 VAL 4 9.083 -3.014 4.982 26 HG12 VAL 4 HG12 VAL 4 7.402 -3.450 4.644 27 HG13 VAL 4 HG13 VAL 4 7.844 -2.792 6.213 28 HG21 VAL 4 HG21 VAL 4 8.063 -0.206 2.845 29 HG22 VAL 4 HG22 VAL 4 7.662 -1.901 2.578 30 HG23 VAL 4 HG23 VAL 4 9.283 -1.453 3.111 31 H CYS 5 H CYS 5 4.317 0.232 3.846 32 HA CYS 5 HA CYS 5 5.645 2.819 3.781 33 HB2 CYS 5 HB2 CYS 5 3.039 1.883 2.632 34 HB3 CYS 5 HB3 CYS 5 3.683 3.515 2.478 35 H GLY 6 H GLY 6 3.446 1.046 5.493 36 HA2 GLY 6 HA2 GLY 6 2.747 1.396 7.624 37 HA3 GLY 6 HA3 GLY 6 3.306 3.065 7.499 38 H GLU 7 H GLU 7 1.693 3.015 4.972 39 HA GLU 7 HA GLU 7 -0.755 3.862 6.362 40 HB2 GLU 7 HB2 GLU 7 -1.188 5.443 4.658 41 HB3 GLU 7 HB3 GLU 7 0.524 5.559 5.049 42 HG2 GLU 7 HG2 GLU 7 1.110 4.343 3.097 43 HG3 GLU 7 HG3 GLU 7 -0.576 4.041 2.724 44 H THR 8 H THR 8 -2.636 3.959 4.716 45 HA THR 8 HA THR 8 -2.946 1.302 3.584 46 HB THR 8 HB THR 8 -5.376 1.587 4.345 47 HG1 THR 8 HG1 THR 8 -4.693 3.876 5.063 48 HG21 THR 8 HG21 THR 8 -3.218 1.154 6.419 49 HG22 THR 8 HG22 THR 8 -3.885 -0.073 5.332 50 HG23 THR 8 HG23 THR 8 -4.907 0.660 6.570 51 H CYS 9 H CYS 9 -4.462 1.185 1.929 52 HA CYS 9 HA CYS 9 -5.161 3.701 0.623 53 HB2 CYS 9 HB2 CYS 9 -4.970 2.279 -1.492 54 HB3 CYS 9 HB3 CYS 9 -3.466 2.823 -0.780 55 H VAL 10 H VAL 10 -7.222 3.580 1.607 56 HA VAL 10 HA VAL 10 -8.804 1.218 1.325 57 HB VAL 10 HB VAL 10 -9.667 4.040 1.975 58 HG11 VAL 10 HG11 VAL 10 -11.565 2.679 1.236 59 HG12 VAL 10 HG12 VAL 10 -11.687 3.007 2.965 60 HG13 VAL 10 HG13 VAL 10 -11.137 1.428 2.403 61 HG21 VAL 10 HG21 VAL 10 -9.017 1.748 3.822 62 HG22 VAL 10 HG22 VAL 10 -9.666 3.306 4.329 63 HG23 VAL 10 HG23 VAL 10 -8.064 3.212 3.599 64 H GLY 11 H GLY 11 -8.406 4.188 -0.442 65 HA2 GLY 11 HA2 GLY 11 -10.406 3.387 -2.417 66 HA3 GLY 11 HA3 GLY 11 -9.539 4.917 -2.384 67 H GLY 12 H GLY 12 -7.210 2.794 -1.818 68 HA2 GLY 12 HA2 GLY 12 -5.869 1.372 -3.173 69 HA3 GLY 12 HA3 GLY 12 -6.843 1.842 -4.555 70 H THR 13 H THR 13 -5.893 4.497 -2.716 71 HA THR 13 HA THR 13 -3.738 5.097 -4.593 72 HB THR 13 HB THR 13 -5.630 7.101 -3.393 73 HG1 THR 13 HG1 THR 13 -5.848 5.521 -5.743 74 HG21 THR 13 HG21 THR 13 -4.889 8.487 -5.289 75 HG22 THR 13 HG22 THR 13 -3.895 7.156 -5.873 76 HG23 THR 13 HG23 THR 13 -3.506 7.935 -4.342 77 H CYS 14 H CYS 14 -1.982 5.387 -3.517 78 HA CYS 14 HA CYS 14 -2.047 5.738 -0.630 79 HB2 CYS 14 HB2 CYS 14 0.255 5.093 -2.457 80 HB3 CYS 14 HB3 CYS 14 0.309 5.106 -0.694 81 H ASN 15 H ASN 15 -0.819 7.274 0.467 82 HA ASN 15 HA ASN 15 -0.743 9.857 -0.791 83 HB2 ASN 15 HB2 ASN 15 -1.547 9.573 1.516 84 HB3 ASN 15 HB3 ASN 15 0.015 8.926 1.986 85 HD21 ASN 15 HD21 ASN 15 -1.799 11.749 1.311 86 HD22 ASN 15 HD22 ASN 15 -0.618 12.911 1.774 87 H THR 16 H THR 16 1.576 7.793 0.929 88 HA THR 16 HA THR 16 3.911 9.187 0.561 89 HB THR 16 HB THR 16 3.651 6.167 0.549 90 HG1 THR 16 HG1 THR 16 2.628 6.973 2.353 91 HG21 THR 16 HG21 THR 16 5.900 6.982 -0.055 92 HG22 THR 16 HG22 THR 16 5.906 6.205 1.527 93 HG23 THR 16 HG23 THR 16 5.933 7.965 1.409 94 HA PRO 17 HA PRO 17 4.277 8.871 -3.944 95 HB2 PRO 17 HB2 PRO 17 6.730 10.431 -3.481 96 HB3 PRO 17 HB3 PRO 17 5.329 10.849 -4.465 97 HG2 PRO 17 HG2 PRO 17 5.860 12.101 -2.145 98 HG3 PRO 17 HG3 PRO 17 4.204 11.807 -2.700 99 HD2 PRO 17 HD2 PRO 17 5.796 10.353 -0.633 100 HD3 PRO 17 HD3 PRO 17 4.073 10.792 -0.646 101 H GLY 18 H GLY 18 4.973 6.930 -4.469 102 HA2 GLY 18 HA2 GLY 18 7.111 5.836 -5.158 103 HA3 GLY 18 HA3 GLY 18 7.609 6.065 -3.477 104 H CYS 19 H CYS 19 4.736 5.592 -2.785 105 HA CYS 19 HA CYS 19 4.927 2.662 -2.814 106 HB2 CYS 19 HB2 CYS 19 3.162 4.395 -1.103 107 HB3 CYS 19 HB3 CYS 19 3.270 2.664 -1.046 108 H THR 20 H THR 20 3.045 1.502 -3.094 109 HA THR 20 HA THR 20 0.946 2.750 -4.685 110 HB THR 20 HB THR 20 1.264 0.480 -6.030 111 HG1 THR 20 HG1 THR 20 3.948 1.147 -5.717 112 HG21 THR 20 HG21 THR 20 1.220 2.695 -7.061 113 HG22 THR 20 HG22 THR 20 2.563 1.759 -7.726 114 HG23 THR 20 HG23 THR 20 2.866 2.998 -6.508 115 H CYS 21 H CYS 21 -0.931 1.259 -4.866 116 HA CYS 21 HA CYS 21 -1.192 -0.271 -2.407 117 HB2 CYS 21 HB2 CYS 21 -2.873 1.488 -3.089 118 HB3 CYS 21 HB3 CYS 21 -3.284 0.437 -4.443 119 H SER 22 H SER 22 0.099 -2.041 -3.129 120 HA SER 22 HA SER 22 -0.989 -3.579 -5.363 121 HB2 SER 22 HB2 SER 22 1.467 -3.177 -5.318 122 HB3 SER 22 HB3 SER 22 1.571 -4.062 -3.802 123 HG SER 22 HG SER 22 0.586 -5.855 -5.067 124 H TRP 23 H TRP 23 -1.169 -3.467 -1.982 125 HA TRP 23 HA TRP 23 -2.535 -6.026 -2.075 126 HB2 TRP 23 HB2 TRP 23 -0.249 -6.370 -1.050 127 HB3 TRP 23 HB3 TRP 23 -0.707 -5.239 0.218 128 HD1 TRP 23 HD1 TRP 23 -2.372 -6.126 2.107 129 HE1 TRP 23 HE1 TRP 23 -3.196 -8.498 2.736 130 HE3 TRP 23 HE3 TRP 23 -0.870 -8.656 -2.064 131 HZ2 TRP 23 HZ2 TRP 23 -3.186 -11.081 1.615 132 HZ3 TRP 23 HZ3 TRP 23 -1.311 -11.069 -2.206 133 HH2 TRP 23 HH2 TRP 23 -2.446 -12.249 -0.403 134 H TRP 24 H TRP 24 -4.317 -4.701 -2.282 135 HA TRP 24 HA TRP 24 -4.997 -2.560 -0.653 136 HB2 TRP 24 HB2 TRP 24 -6.048 -3.108 -2.841 137 HB3 TRP 24 HB3 TRP 24 -6.852 -4.481 -2.096 138 HD1 TRP 24 HD1 TRP 24 -6.877 -0.649 -2.103 139 HE1 TRP 24 HE1 TRP 24 -9.179 0.149 -1.204 140 HE3 TRP 24 HE3 TRP 24 -8.855 -5.155 -0.761 141 HZ2 TRP 24 HZ2 TRP 24 -11.491 -0.978 -0.125 142 HZ3 TRP 24 HZ3 TRP 24 -11.123 -5.209 0.192 143 HH2 TRP 24 HH2 TRP 24 -12.406 -3.156 0.497 144 HA PRO 25 HA PRO 25 -6.221 -1.521 0.487 145 HB2 PRO 25 HB2 PRO 25 -7.162 -0.631 2.821 146 HB3 PRO 25 HB3 PRO 25 -8.199 -1.463 1.661 147 HG2 PRO 25 HG2 PRO 25 -7.209 -2.396 4.267 148 HG3 PRO 25 HG3 PRO 25 -8.567 -2.995 3.305 149 HD2 PRO 25 HD2 PRO 25 -5.849 -4.028 3.478 150 HD3 PRO 25 HD3 PRO 25 -7.272 -4.745 2.694 151 H VAL 26 H VAL 26 -3.701 -2.870 1.469 152 HA VAL 26 HA VAL 26 -2.696 -0.764 3.253 153 HB VAL 26 HB VAL 26 -1.528 -3.529 2.758 154 HG11 VAL 26 HG11 VAL 26 -0.790 -1.440 4.807 155 HG12 VAL 26 HG12 VAL 26 0.163 -1.899 3.399 156 HG13 VAL 26 HG13 VAL 26 -0.102 -3.059 4.699 157 HG21 VAL 26 HG21 VAL 26 -2.291 -4.081 5.034 158 HG22 VAL 26 HG22 VAL 26 -3.634 -3.735 3.943 159 HG23 VAL 26 HG23 VAL 26 -3.118 -2.525 5.118 160 H CYS 27 H CYS 27 -0.749 0.343 2.592 161 HA CYS 27 HA CYS 27 -0.293 0.060 -0.224 162 HB2 CYS 27 HB2 CYS 27 0.882 1.994 1.706 163 HB3 CYS 27 HB3 CYS 27 1.136 1.968 -0.001 164 H THR 28 H THR 28 1.587 -0.146 -1.057 165 HA THR 28 HA THR 28 3.560 -1.629 0.487 166 HB THR 28 HB THR 28 3.727 -3.083 -1.626 167 HG1 THR 28 HG1 THR 28 2.374 -1.785 -2.892 168 HG21 THR 28 HG21 THR 28 1.293 -3.221 0.132 169 HG22 THR 28 HG22 THR 28 2.910 -3.810 0.519 170 HG23 THR 28 HG23 THR 28 1.987 -4.574 -0.790 171 H ARG 29 H ARG 29 5.599 -1.708 -0.443 172 HA ARG 29 HA ARG 29 6.265 0.776 -1.674 173 HB2 ARG 29 HB2 ARG 29 7.402 -0.291 0.339 174 HB3 ARG 29 HB3 ARG 29 8.158 -1.393 -0.783 175 HG2 ARG 29 HG2 ARG 29 9.668 0.266 -0.268 176 HG3 ARG 29 HG3 ARG 29 9.128 0.511 -1.934 177 HD2 ARG 29 HD2 ARG 29 7.722 2.266 -1.322 178 HD3 ARG 29 HD3 ARG 29 7.877 1.886 0.391 179 HE ARG 29 HE ARG 29 10.378 2.204 -0.386 180 HH11 ARG 29 HH11 ARG 29 7.574 4.359 -0.561 181 HH12 ARG 29 HH12 ARG 29 8.506 5.802 -0.512 182 HH21 ARG 29 HH21 ARG 29 11.632 4.206 -0.224 183 HH22 ARG 29 HH22 ARG 29 10.847 5.714 -0.292 184 H ASN 30 H ASN 30 7.509 -2.538 -2.210 185 HA ASN 30 HA ASN 30 7.502 -2.171 -5.074 186 HB2 ASN 30 HB2 ASN 30 9.458 -3.608 -4.947 187 HB3 ASN 30 HB3 ASN 30 9.774 -2.122 -4.040 188 HD21 ASN 30 HD21 ASN 30 9.627 -5.505 -4.010 189 HD22 ASN 30 HD22 ASN 30 9.965 -5.771 -2.343 Start of MODEL 14 1 H1 GLY 1 H GLY 1 5.744 -2.867 -3.128 2 HA2 GLY 1 HA2 GLY 1 4.551 -4.844 -3.215 3 HA3 GLY 1 HA3 GLY 1 6.037 -5.686 -3.727 4 H LEU 2 H LEU 2 6.389 -3.450 -1.213 5 HA LEU 2 HA LEU 2 6.300 -5.622 0.787 6 HB2 LEU 2 HB2 LEU 2 8.604 -4.979 0.011 7 HB3 LEU 2 HB3 LEU 2 8.318 -3.383 0.655 8 HG LEU 2 HG LEU 2 8.075 -4.370 2.924 9 HD11 LEU 2 HD11 LEU 2 7.419 -6.633 2.302 10 HD12 LEU 2 HD12 LEU 2 8.863 -6.653 3.311 11 HD13 LEU 2 HD13 LEU 2 9.001 -6.898 1.572 12 HD21 LEU 2 HD21 LEU 2 10.460 -4.785 3.256 13 HD22 LEU 2 HD22 LEU 2 10.194 -3.406 2.190 14 HD23 LEU 2 HD23 LEU 2 10.670 -4.965 1.516 15 HA PRO 3 HA PRO 3 3.657 -2.445 2.530 16 HB2 PRO 3 HB2 PRO 3 2.713 -3.830 4.644 17 HB3 PRO 3 HB3 PRO 3 2.100 -4.039 2.999 18 HG2 PRO 3 HG2 PRO 3 3.943 -5.774 4.569 19 HG3 PRO 3 HG3 PRO 3 2.748 -6.229 3.347 20 HD2 PRO 3 HD2 PRO 3 5.493 -6.038 2.933 21 HD3 PRO 3 HD3 PRO 3 4.263 -6.029 1.655 22 H VAL 4 H VAL 4 5.613 -1.327 2.992 23 HA VAL 4 HA VAL 4 6.134 -1.168 5.889 24 HB VAL 4 HB VAL 4 8.499 -0.463 5.348 25 HG11 VAL 4 HG11 VAL 4 8.080 -2.682 6.188 26 HG12 VAL 4 HG12 VAL 4 9.322 -2.770 4.935 27 HG13 VAL 4 HG13 VAL 4 7.662 -3.249 4.577 28 HG21 VAL 4 HG21 VAL 4 9.424 -1.123 3.155 29 HG22 VAL 4 HG22 VAL 4 8.193 0.131 3.003 30 HG23 VAL 4 HG23 VAL 4 7.800 -1.542 2.612 31 H CYS 5 H CYS 5 4.492 0.302 3.782 32 HA CYS 5 HA CYS 5 5.679 2.912 3.871 33 HB2 CYS 5 HB2 CYS 5 3.018 2.004 2.797 34 HB3 CYS 5 HB3 CYS 5 3.696 3.614 2.633 35 H GLY 6 H GLY 6 3.417 1.032 5.487 36 HA2 GLY 6 HA2 GLY 6 2.689 1.291 7.635 37 HA3 GLY 6 HA3 GLY 6 3.272 2.958 7.595 38 H GLU 7 H GLU 7 1.697 2.869 4.955 39 HA GLU 7 HA GLU 7 -0.792 3.719 6.257 40 HB2 GLU 7 HB2 GLU 7 -1.252 5.199 4.435 41 HB3 GLU 7 HB3 GLU 7 0.414 5.449 4.942 42 HG2 GLU 7 HG2 GLU 7 1.221 4.238 3.072 43 HG3 GLU 7 HG3 GLU 7 -0.400 3.765 2.609 44 H THR 8 H THR 8 -2.602 3.715 4.508 45 HA THR 8 HA THR 8 -2.778 1.046 3.371 46 HB THR 8 HB THR 8 -5.183 1.110 4.215 47 HG1 THR 8 HG1 THR 8 -4.437 3.418 5.155 48 HG21 THR 8 HG21 THR 8 -3.543 -0.479 5.087 49 HG22 THR 8 HG22 THR 8 -4.583 0.108 6.386 50 HG23 THR 8 HG23 THR 8 -2.944 0.743 6.212 51 H CYS 9 H CYS 9 -4.374 0.919 1.711 52 HA CYS 9 HA CYS 9 -5.101 3.503 0.639 53 HB2 CYS 9 HB2 CYS 9 -5.269 2.164 -1.536 54 HB3 CYS 9 HB3 CYS 9 -3.651 2.490 -0.945 55 H VAL 10 H VAL 10 -7.062 3.636 1.779 56 HA VAL 10 HA VAL 10 -8.889 1.415 1.666 57 HB VAL 10 HB VAL 10 -9.377 4.259 2.579 58 HG11 VAL 10 HG11 VAL 10 -11.447 3.030 2.099 59 HG12 VAL 10 HG12 VAL 10 -11.283 3.338 3.828 60 HG13 VAL 10 HG13 VAL 10 -10.927 1.737 3.178 61 HG21 VAL 10 HG21 VAL 10 -7.594 3.239 3.889 62 HG22 VAL 10 HG22 VAL 10 -8.617 1.844 4.219 63 HG23 VAL 10 HG23 VAL 10 -9.047 3.425 4.871 64 H GLY 11 H GLY 11 -8.351 4.444 0.075 65 HA2 GLY 11 HA2 GLY 11 -10.675 4.142 -1.637 66 HA3 GLY 11 HA3 GLY 11 -9.497 5.452 -1.685 67 H GLY 12 H GLY 12 -7.397 3.231 -1.579 68 HA2 GLY 12 HA2 GLY 12 -6.638 1.503 -3.093 69 HA3 GLY 12 HA3 GLY 12 -7.701 2.190 -4.307 70 H THR 13 H THR 13 -5.966 4.533 -2.606 71 HA THR 13 HA THR 13 -3.849 4.592 -4.582 72 HB THR 13 HB THR 13 -5.466 6.991 -3.726 73 HG1 THR 13 HG1 THR 13 -5.674 5.236 -5.936 74 HG21 THR 13 HG21 THR 13 -4.310 8.089 -5.598 75 HG22 THR 13 HG22 THR 13 -3.418 6.597 -5.905 76 HG23 THR 13 HG23 THR 13 -3.171 7.476 -4.400 77 H CYS 14 H CYS 14 -2.022 4.939 -3.591 78 HA CYS 14 HA CYS 14 -2.028 5.463 -0.733 79 HB2 CYS 14 HB2 CYS 14 0.243 4.655 -2.542 80 HB3 CYS 14 HB3 CYS 14 0.254 4.660 -0.776 81 H ASN 15 H ASN 15 -0.770 7.050 0.227 82 HA ASN 15 HA ASN 15 -0.631 9.500 -1.305 83 HB2 ASN 15 HB2 ASN 15 -1.605 9.512 0.958 84 HB3 ASN 15 HB3 ASN 15 -0.073 8.954 1.620 85 HD21 ASN 15 HD21 ASN 15 0.296 10.712 2.882 86 HD22 ASN 15 HD22 ASN 15 0.659 12.281 2.266 87 H THR 16 H THR 16 1.533 7.646 0.813 88 HA THR 16 HA THR 16 3.844 9.079 0.486 89 HB THR 16 HB THR 16 3.705 6.068 0.812 90 HG1 THR 16 HG1 THR 16 2.454 7.068 2.393 91 HG21 THR 16 HG21 THR 16 5.793 8.079 1.683 92 HG22 THR 16 HG22 THR 16 5.958 6.945 0.343 93 HG23 THR 16 HG23 THR 16 5.835 6.342 1.995 94 HA PRO 17 HA PRO 17 4.662 8.398 -3.902 95 HB2 PRO 17 HB2 PRO 17 7.075 9.753 -3.882 96 HB3 PRO 17 HB3 PRO 17 5.508 10.523 -4.127 97 HG2 PRO 17 HG2 PRO 17 7.180 10.370 -1.671 98 HG3 PRO 17 HG3 PRO 17 6.151 11.690 -2.239 99 HD2 PRO 17 HD2 PRO 17 5.459 10.009 -0.245 100 HD3 PRO 17 HD3 PRO 17 4.258 10.761 -1.315 101 H GLY 18 H GLY 18 5.332 6.480 -4.445 102 HA2 GLY 18 HA2 GLY 18 7.290 5.107 -4.866 103 HA3 GLY 18 HA3 GLY 18 7.787 5.445 -3.205 104 H CYS 19 H CYS 19 4.597 5.237 -2.929 105 HA CYS 19 HA CYS 19 4.700 2.333 -2.575 106 HB2 CYS 19 HB2 CYS 19 2.837 4.217 -1.202 107 HB3 CYS 19 HB3 CYS 19 3.049 2.526 -0.897 108 H THR 20 H THR 20 2.918 1.181 -3.039 109 HA THR 20 HA THR 20 0.993 2.345 -4.903 110 HB THR 20 HB THR 20 1.301 0.123 -6.102 111 HG1 THR 20 HG1 THR 20 3.889 -0.132 -5.580 112 HG21 THR 20 HG21 THR 20 3.529 2.174 -6.188 113 HG22 THR 20 HG22 THR 20 2.021 2.252 -7.101 114 HG23 THR 20 HG23 THR 20 3.200 0.989 -7.450 115 H CYS 21 H CYS 21 -1.005 1.195 -4.932 116 HA CYS 21 HA CYS 21 -1.492 -0.451 -2.582 117 HB2 CYS 21 HB2 CYS 21 -3.096 1.435 -3.156 118 HB3 CYS 21 HB3 CYS 21 -3.485 0.567 -4.641 119 H SER 22 H SER 22 -0.384 -2.236 -3.241 120 HA SER 22 HA SER 22 -0.958 -3.549 -5.729 121 HB2 SER 22 HB2 SER 22 1.289 -3.696 -4.684 122 HB3 SER 22 HB3 SER 22 0.591 -4.577 -3.329 123 HG SER 22 HG SER 22 0.392 -5.425 -6.010 124 H TRP 23 H TRP 23 -1.589 -4.312 -2.296 125 HA TRP 23 HA TRP 23 -3.882 -5.699 -3.275 126 HB2 TRP 23 HB2 TRP 23 -3.664 -7.395 -1.396 127 HB3 TRP 23 HB3 TRP 23 -2.528 -7.548 -2.717 128 HD1 TRP 23 HD1 TRP 23 0.008 -6.342 -2.073 129 HE1 TRP 23 HE1 TRP 23 1.325 -6.685 0.118 130 HE3 TRP 23 HE3 TRP 23 -3.817 -7.866 0.955 131 HZ2 TRP 23 HZ2 TRP 23 0.817 -7.491 2.762 132 HZ3 TRP 23 HZ3 TRP 23 -3.311 -8.414 3.301 133 HH2 TRP 23 HH2 TRP 23 -1.029 -8.225 4.177 134 H TRP 24 H TRP 24 -5.404 -4.572 -2.874 135 HA TRP 24 HA TRP 24 -5.624 -2.550 -0.990 136 HB2 TRP 24 HB2 TRP 24 -6.898 -2.787 -3.114 137 HB3 TRP 24 HB3 TRP 24 -7.820 -4.098 -2.391 138 HD1 TRP 24 HD1 TRP 24 -7.296 -0.322 -2.161 139 HE1 TRP 24 HE1 TRP 24 -9.424 0.726 -1.024 140 HE3 TRP 24 HE3 TRP 24 -9.808 -4.589 -0.957 141 HZ2 TRP 24 HZ2 TRP 24 -11.790 -0.162 0.156 142 HZ3 TRP 24 HZ3 TRP 24 -11.995 -4.411 0.159 143 HH2 TRP 24 HH2 TRP 24 -12.955 -2.226 0.700 144 HA PRO 25 HA PRO 25 -6.724 -1.545 0.346 145 HB2 PRO 25 HB2 PRO 25 -7.440 -0.859 2.826 146 HB3 PRO 25 HB3 PRO 25 -8.602 -1.487 1.655 147 HG2 PRO 25 HG2 PRO 25 -7.554 -2.758 4.078 148 HG3 PRO 25 HG3 PRO 25 -8.970 -3.189 3.113 149 HD2 PRO 25 HD2 PRO 25 -6.271 -4.318 3.041 150 HD3 PRO 25 HD3 PRO 25 -7.766 -4.937 2.308 151 H VAL 26 H VAL 26 -4.190 -3.103 1.021 152 HA VAL 26 HA VAL 26 -3.073 -1.056 2.775 153 HB VAL 26 HB VAL 26 -3.092 -3.239 3.930 154 HG11 VAL 26 HG11 VAL 26 -1.657 -5.066 3.203 155 HG12 VAL 26 HG12 VAL 26 -1.306 -4.180 1.719 156 HG13 VAL 26 HG13 VAL 26 -2.950 -4.723 2.053 157 HG21 VAL 26 HG21 VAL 26 -0.728 -3.320 4.608 158 HG22 VAL 26 HG22 VAL 26 -1.331 -1.663 4.505 159 HG23 VAL 26 HG23 VAL 26 -0.310 -2.310 3.225 160 H CYS 27 H CYS 27 -1.058 -0.185 2.262 161 HA CYS 27 HA CYS 27 -0.495 -0.351 -0.552 162 HB2 CYS 27 HB2 CYS 27 0.629 1.425 1.586 163 HB3 CYS 27 HB3 CYS 27 0.988 1.519 -0.114 164 H THR 28 H THR 28 1.650 -0.379 -1.202 165 HA THR 28 HA THR 28 3.528 -1.825 0.485 166 HB THR 28 HB THR 28 4.136 -3.089 -1.646 167 HG1 THR 28 HG1 THR 28 2.167 -1.676 -2.655 168 HG21 THR 28 HG21 THR 28 3.247 -4.100 0.304 169 HG22 THR 28 HG22 THR 28 2.518 -4.863 -1.126 170 HG23 THR 28 HG23 THR 28 1.597 -3.683 -0.158 171 H ARG 29 H ARG 29 5.681 -1.657 -0.330 172 HA ARG 29 HA ARG 29 6.075 0.937 -1.439 173 HB2 ARG 29 HB2 ARG 29 7.357 -0.011 0.544 174 HB3 ARG 29 HB3 ARG 29 8.207 -1.033 -0.593 175 HG2 ARG 29 HG2 ARG 29 9.535 0.772 -0.080 176 HG3 ARG 29 HG3 ARG 29 8.975 0.940 -1.745 177 HD2 ARG 29 HD2 ARG 29 7.330 2.497 -1.116 178 HD3 ARG 29 HD3 ARG 29 7.650 2.230 0.593 179 HE ARG 29 HE ARG 29 10.026 2.810 -0.427 180 HH11 ARG 29 HH11 ARG 29 6.965 4.599 -0.336 181 HH12 ARG 29 HH12 ARG 29 7.704 6.151 -0.377 182 HH21 ARG 29 HH21 ARG 29 11.014 5.011 -0.467 183 HH22 ARG 29 HH22 ARG 29 9.994 6.381 -0.417 184 H ASN 30 H ASN 30 7.711 -2.158 -2.074 185 HA ASN 30 HA ASN 30 7.535 -1.701 -4.903 186 HB2 ASN 30 HB2 ASN 30 9.701 -2.922 -4.870 187 HB3 ASN 30 HB3 ASN 30 9.835 -1.269 -4.238 188 HD21 ASN 30 HD21 ASN 30 10.140 -4.660 -3.618 189 HD22 ASN 30 HD22 ASN 30 10.749 -4.519 -2.016 Start of MODEL 15 1 H1 GLY 1 H GLY 1 5.725 -2.910 -3.254 2 HA2 GLY 1 HA2 GLY 1 4.393 -4.762 -3.219 3 HA3 GLY 1 HA3 GLY 1 5.804 -5.750 -3.691 4 H LEU 2 H LEU 2 6.304 -3.444 -1.283 5 HA LEU 2 HA LEU 2 6.230 -5.562 0.764 6 HB2 LEU 2 HB2 LEU 2 8.515 -4.967 -0.073 7 HB3 LEU 2 HB3 LEU 2 8.235 -3.342 0.513 8 HG LEU 2 HG LEU 2 8.098 -4.167 2.810 9 HD11 LEU 2 HD11 LEU 2 8.773 -6.466 3.330 10 HD12 LEU 2 HD12 LEU 2 8.769 -6.846 1.606 11 HD13 LEU 2 HD13 LEU 2 7.269 -6.407 2.417 12 HD21 LEU 2 HD21 LEU 2 10.236 -3.398 1.932 13 HD22 LEU 2 HD22 LEU 2 10.590 -5.023 1.343 14 HD23 LEU 2 HD23 LEU 2 10.467 -4.719 3.076 15 HA PRO 3 HA PRO 3 3.680 -2.299 2.534 16 HB2 PRO 3 HB2 PRO 3 3.171 -4.005 4.806 17 HB3 PRO 3 HB3 PRO 3 2.058 -3.508 3.534 18 HG2 PRO 3 HG2 PRO 3 2.990 -6.081 3.840 19 HG3 PRO 3 HG3 PRO 3 2.404 -5.405 2.314 20 HD2 PRO 3 HD2 PRO 3 5.204 -5.841 3.245 21 HD3 PRO 3 HD3 PRO 3 4.505 -5.975 1.615 22 H VAL 4 H VAL 4 5.603 -1.150 2.870 23 HA VAL 4 HA VAL 4 6.297 -0.968 5.733 24 HB VAL 4 HB VAL 4 8.623 -0.244 5.088 25 HG11 VAL 4 HG11 VAL 4 9.451 -2.541 4.612 26 HG12 VAL 4 HG12 VAL 4 7.764 -3.039 4.392 27 HG13 VAL 4 HG13 VAL 4 8.309 -2.440 5.949 28 HG21 VAL 4 HG21 VAL 4 7.846 -1.339 2.379 29 HG22 VAL 4 HG22 VAL 4 9.477 -0.877 2.868 30 HG23 VAL 4 HG23 VAL 4 8.212 0.346 2.752 31 H CYS 5 H CYS 5 4.473 0.396 3.877 32 HA CYS 5 HA CYS 5 5.569 3.080 3.700 33 HB2 CYS 5 HB2 CYS 5 2.946 1.943 2.791 34 HB3 CYS 5 HB3 CYS 5 3.505 3.585 2.510 35 H GLY 6 H GLY 6 3.541 1.194 5.566 36 HA2 GLY 6 HA2 GLY 6 2.752 1.574 7.684 37 HA3 GLY 6 HA3 GLY 6 3.400 3.208 7.569 38 H GLU 7 H GLU 7 1.609 2.911 4.952 39 HA GLU 7 HA GLU 7 -0.808 3.808 6.375 40 HB2 GLU 7 HB2 GLU 7 -1.307 5.428 4.704 41 HB3 GLU 7 HB3 GLU 7 0.392 5.617 5.110 42 HG2 GLU 7 HG2 GLU 7 1.020 4.422 3.120 43 HG3 GLU 7 HG3 GLU 7 -0.664 4.156 2.724 44 H THR 8 H THR 8 -2.721 3.813 4.714 45 HA THR 8 HA THR 8 -2.804 1.163 3.504 46 HB THR 8 HB THR 8 -5.211 1.153 4.342 47 HG1 THR 8 HG1 THR 8 -5.189 3.366 5.064 48 HG21 THR 8 HG21 THR 8 -2.963 0.893 6.349 49 HG22 THR 8 HG22 THR 8 -3.517 -0.365 5.241 50 HG23 THR 8 HG23 THR 8 -4.577 0.206 6.530 51 H CYS 9 H CYS 9 -4.220 0.988 1.758 52 HA CYS 9 HA CYS 9 -5.084 3.528 0.632 53 HB2 CYS 9 HB2 CYS 9 -4.895 2.256 -1.539 54 HB3 CYS 9 HB3 CYS 9 -3.373 2.667 -0.766 55 H VAL 10 H VAL 10 -7.131 3.360 1.646 56 HA VAL 10 HA VAL 10 -8.713 1.015 1.125 57 HB VAL 10 HB VAL 10 -9.528 3.707 2.260 58 HG11 VAL 10 HG11 VAL 10 -11.015 1.067 2.292 59 HG12 VAL 10 HG12 VAL 10 -11.464 2.491 1.353 60 HG13 VAL 10 HG13 VAL 10 -11.526 2.541 3.116 61 HG21 VAL 10 HG21 VAL 10 -8.849 1.116 3.639 62 HG22 VAL 10 HG22 VAL 10 -9.431 2.575 4.437 63 HG23 VAL 10 HG23 VAL 10 -7.867 2.578 3.623 64 H GLY 11 H GLY 11 -8.187 4.127 -0.234 65 HA2 GLY 11 HA2 GLY 11 -10.358 3.849 -2.146 66 HA3 GLY 11 HA3 GLY 11 -9.236 5.203 -2.010 67 H GLY 12 H GLY 12 -7.078 3.016 -1.850 68 HA2 GLY 12 HA2 GLY 12 -6.071 1.495 -3.403 69 HA3 GLY 12 HA3 GLY 12 -7.118 2.160 -4.647 70 H THR 13 H THR 13 -5.650 4.504 -2.702 71 HA THR 13 HA THR 13 -3.384 4.775 -4.476 72 HB THR 13 HB THR 13 -5.306 7.027 -3.925 73 HG1 THR 13 HG1 THR 13 -5.193 5.082 -5.901 74 HG21 THR 13 HG21 THR 13 -2.995 7.739 -4.295 75 HG22 THR 13 HG22 THR 13 -4.008 8.216 -5.658 76 HG23 THR 13 HG23 THR 13 -2.938 6.820 -5.798 77 H CYS 14 H CYS 14 -1.718 5.258 -3.316 78 HA CYS 14 HA CYS 14 -2.096 5.866 -0.486 79 HB2 CYS 14 HB2 CYS 14 0.405 5.024 -1.934 80 HB3 CYS 14 HB3 CYS 14 0.118 5.015 -0.194 81 H ASN 15 H ASN 15 -0.825 7.463 0.557 82 HA ASN 15 HA ASN 15 -0.507 9.848 -0.993 83 HB2 ASN 15 HB2 ASN 15 -1.395 10.036 1.257 84 HB3 ASN 15 HB3 ASN 15 0.026 9.243 1.929 85 HD21 ASN 15 HD21 ASN 15 1.863 10.451 2.278 86 HD22 ASN 15 HD22 ASN 15 1.922 12.159 2.052 87 H THR 16 H THR 16 1.638 7.795 0.918 88 HA THR 16 HA THR 16 4.028 9.097 0.601 89 HB THR 16 HB THR 16 3.651 6.099 0.720 90 HG1 THR 16 HG1 THR 16 2.570 7.014 2.414 91 HG21 THR 16 HG21 THR 16 5.956 6.822 0.208 92 HG22 THR 16 HG22 THR 16 5.831 6.116 1.819 93 HG23 THR 16 HG23 THR 16 5.927 7.866 1.631 94 HA PRO 17 HA PRO 17 4.742 8.710 -3.870 95 HB2 PRO 17 HB2 PRO 17 7.327 9.908 -3.024 96 HB3 PRO 17 HB3 PRO 17 6.204 10.456 -4.273 97 HG2 PRO 17 HG2 PRO 17 6.421 11.772 -1.966 98 HG3 PRO 17 HG3 PRO 17 4.849 11.563 -2.758 99 HD2 PRO 17 HD2 PRO 17 5.995 10.112 -0.410 100 HD3 PRO 17 HD3 PRO 17 4.333 10.676 -0.696 101 H GLY 18 H GLY 18 5.325 6.781 -4.551 102 HA2 GLY 18 HA2 GLY 18 7.167 5.339 -5.091 103 HA3 GLY 18 HA3 GLY 18 7.787 5.604 -3.461 104 H CYS 19 H CYS 19 4.586 5.411 -2.998 105 HA CYS 19 HA CYS 19 4.699 2.491 -2.753 106 HB2 CYS 19 HB2 CYS 19 2.897 4.349 -1.232 107 HB3 CYS 19 HB3 CYS 19 3.018 2.631 -1.047 108 H THR 20 H THR 20 2.821 1.366 -3.102 109 HA THR 20 HA THR 20 0.831 2.591 -4.825 110 HB THR 20 HB THR 20 1.119 0.315 -6.095 111 HG1 THR 20 HG1 THR 20 3.798 0.632 -5.799 112 HG21 THR 20 HG21 THR 20 2.625 1.421 -7.707 113 HG22 THR 20 HG22 THR 20 3.010 2.639 -6.490 114 HG23 THR 20 HG23 THR 20 1.373 2.526 -7.136 115 H CYS 21 H CYS 21 -1.088 1.161 -5.032 116 HA CYS 21 HA CYS 21 -1.495 -0.283 -2.540 117 HB2 CYS 21 HB2 CYS 21 -3.112 1.501 -3.335 118 HB3 CYS 21 HB3 CYS 21 -3.536 0.392 -4.641 119 H SER 22 H SER 22 -0.272 -2.096 -3.151 120 HA SER 22 HA SER 22 -1.227 -3.621 -5.419 121 HB2 SER 22 HB2 SER 22 1.198 -3.479 -5.055 122 HB3 SER 22 HB3 SER 22 1.010 -4.204 -3.464 123 HG SER 22 HG SER 22 0.392 -5.431 -5.951 124 H TRP 23 H TRP 23 -0.926 -4.074 -1.888 125 HA TRP 23 HA TRP 23 -2.860 -6.241 -2.169 126 HB2 TRP 23 HB2 TRP 23 -0.727 -6.924 -1.116 127 HB3 TRP 23 HB3 TRP 23 -0.943 -5.695 0.121 128 HD1 TRP 23 HD1 TRP 23 -2.058 -6.515 2.294 129 HE1 TRP 23 HE1 TRP 23 -3.444 -8.615 2.987 130 HE3 TRP 23 HE3 TRP 23 -2.567 -8.749 -2.276 131 HZ2 TRP 23 HZ2 TRP 23 -4.571 -10.849 1.772 132 HZ3 TRP 23 HZ3 TRP 23 -3.821 -10.862 -2.417 133 HH2 TRP 23 HH2 TRP 23 -4.797 -11.882 -0.434 134 H TRP 24 H TRP 24 -4.546 -4.827 -2.360 135 HA TRP 24 HA TRP 24 -5.168 -2.674 -0.711 136 HB2 TRP 24 HB2 TRP 24 -6.247 -3.153 -2.907 137 HB3 TRP 24 HB3 TRP 24 -7.101 -4.504 -2.177 138 HD1 TRP 24 HD1 TRP 24 -7.045 -0.683 -2.262 139 HE1 TRP 24 HE1 TRP 24 -9.304 0.208 -1.342 140 HE3 TRP 24 HE3 TRP 24 -9.097 -5.089 -0.714 141 HZ2 TRP 24 HZ2 TRP 24 -11.621 -0.831 -0.150 142 HZ3 TRP 24 HZ3 TRP 24 -11.334 -5.058 0.293 143 HH2 TRP 24 HH2 TRP 24 -12.567 -2.961 0.567 144 HA PRO 25 HA PRO 25 -6.344 -1.600 0.440 145 HB2 PRO 25 HB2 PRO 25 -7.233 -0.699 2.791 146 HB3 PRO 25 HB3 PRO 25 -8.312 -1.457 1.619 147 HG2 PRO 25 HG2 PRO 25 -7.362 -2.482 4.206 148 HG3 PRO 25 HG3 PRO 25 -8.760 -2.986 3.247 149 HD2 PRO 25 HD2 PRO 25 -6.107 -4.177 3.381 150 HD3 PRO 25 HD3 PRO 25 -7.563 -4.802 2.582 151 H VAL 26 H VAL 26 -3.891 -3.097 1.424 152 HA VAL 26 HA VAL 26 -2.776 -1.076 3.242 153 HB VAL 26 HB VAL 26 -1.719 -3.856 2.595 154 HG11 VAL 26 HG11 VAL 26 -0.802 -1.874 4.681 155 HG12 VAL 26 HG12 VAL 26 0.061 -2.303 3.209 156 HG13 VAL 26 HG13 VAL 26 -0.176 -3.510 4.472 157 HG21 VAL 26 HG21 VAL 26 -2.402 -4.473 4.869 158 HG22 VAL 26 HG22 VAL 26 -3.780 -4.000 3.873 159 HG23 VAL 26 HG23 VAL 26 -3.134 -2.881 5.073 160 H CYS 27 H CYS 27 -0.886 0.053 2.561 161 HA CYS 27 HA CYS 27 -0.441 -0.114 -0.276 162 HB2 CYS 27 HB2 CYS 27 0.822 1.664 1.761 163 HB3 CYS 27 HB3 CYS 27 1.009 1.758 0.044 164 H THR 28 H THR 28 1.527 -0.291 -1.101 165 HA THR 28 HA THR 28 3.534 -1.681 0.479 166 HB THR 28 HB THR 28 3.856 -3.049 -1.657 167 HG1 THR 28 HG1 THR 28 2.383 -2.054 -2.993 168 HG21 THR 28 HG21 THR 28 2.257 -4.742 -0.835 169 HG22 THR 28 HG22 THR 28 1.510 -3.476 0.170 170 HG23 THR 28 HG23 THR 28 3.188 -3.950 0.447 171 H ARG 29 H ARG 29 5.606 -1.599 -0.414 172 HA ARG 29 HA ARG 29 6.057 0.919 -1.716 173 HB2 ARG 29 HB2 ARG 29 7.263 0.091 0.386 174 HB3 ARG 29 HB3 ARG 29 8.167 -0.966 -0.676 175 HG2 ARG 29 HG2 ARG 29 9.464 0.866 -0.249 176 HG3 ARG 29 HG3 ARG 29 8.873 0.988 -1.910 177 HD2 ARG 29 HD2 ARG 29 7.187 2.517 -1.254 178 HD3 ARG 29 HD3 ARG 29 7.635 2.342 0.438 179 HE ARG 29 HE ARG 29 9.924 2.900 -0.787 180 HH11 ARG 29 HH11 ARG 29 6.871 4.650 -0.478 181 HH12 ARG 29 HH12 ARG 29 7.578 6.195 -0.752 182 HH21 ARG 29 HH21 ARG 29 10.852 5.057 -1.108 183 HH22 ARG 29 HH22 ARG 29 9.843 6.433 -1.057 184 H ASN 30 H ASN 30 7.661 -2.255 -2.057 185 HA ASN 30 HA ASN 30 7.772 -1.972 -4.935 186 HB2 ASN 30 HB2 ASN 30 9.768 -3.486 -4.547 187 HB3 ASN 30 HB3 ASN 30 10.038 -1.786 -4.143 188 HD21 ASN 30 HD21 ASN 30 10.306 -1.277 -1.994 189 HD22 ASN 30 HD22 ASN 30 10.626 -2.438 -0.763 Start of MODEL 16 1 H1 GLY 1 H GLY 1 5.573 -3.449 -2.551 2 HA2 GLY 1 HA2 GLY 1 4.550 -5.614 -2.424 3 HA3 GLY 1 HA3 GLY 1 6.163 -6.317 -2.661 4 H LEU 2 H LEU 2 6.774 -3.695 -0.884 5 HA LEU 2 HA LEU 2 6.624 -5.314 1.585 6 HB2 LEU 2 HB2 LEU 2 8.895 -4.817 0.780 7 HB3 LEU 2 HB3 LEU 2 8.538 -3.105 0.856 8 HG LEU 2 HG LEU 2 8.310 -3.280 3.299 9 HD11 LEU 2 HD11 LEU 2 7.688 -5.625 3.484 10 HD12 LEU 2 HD12 LEU 2 9.121 -5.276 4.449 11 HD13 LEU 2 HD13 LEU 2 9.282 -6.103 2.901 12 HD21 LEU 2 HD21 LEU 2 10.919 -4.257 2.158 13 HD22 LEU 2 HD22 LEU 2 10.706 -3.546 3.757 14 HD23 LEU 2 HD23 LEU 2 10.408 -2.578 2.313 15 HA PRO 3 HA PRO 3 3.911 -1.927 2.767 16 HB2 PRO 3 HB2 PRO 3 3.339 -3.338 5.187 17 HB3 PRO 3 HB3 PRO 3 2.269 -3.025 3.815 18 HG2 PRO 3 HG2 PRO 3 3.217 -5.533 4.494 19 HG3 PRO 3 HG3 PRO 3 2.685 -5.077 2.869 20 HD2 PRO 3 HD2 PRO 3 5.447 -5.332 3.965 21 HD3 PRO 3 HD3 PRO 3 4.824 -5.680 2.333 22 H VAL 4 H VAL 4 5.951 -0.735 3.068 23 HA VAL 4 HA VAL 4 6.220 -0.255 5.954 24 HB VAL 4 HB VAL 4 8.601 0.494 5.634 25 HG11 VAL 4 HG11 VAL 4 9.571 -1.790 5.506 26 HG12 VAL 4 HG12 VAL 4 7.965 -2.389 5.061 27 HG13 VAL 4 HG13 VAL 4 8.221 -1.626 6.622 28 HG21 VAL 4 HG21 VAL 4 8.331 -0.849 2.949 29 HG22 VAL 4 HG22 VAL 4 9.842 -0.285 3.664 30 HG23 VAL 4 HG23 VAL 4 8.584 0.873 3.227 31 H CYS 5 H CYS 5 4.573 0.843 3.879 32 HA CYS 5 HA CYS 5 5.470 3.550 3.643 33 HB2 CYS 5 HB2 CYS 5 2.739 2.409 3.054 34 HB3 CYS 5 HB3 CYS 5 3.384 3.943 2.504 35 H GLY 6 H GLY 6 3.544 1.552 5.534 36 HA2 GLY 6 HA2 GLY 6 2.856 1.774 7.732 37 HA3 GLY 6 HA3 GLY 6 3.342 3.469 7.645 38 H GLU 7 H GLU 7 1.621 3.160 5.076 39 HA GLU 7 HA GLU 7 -0.850 4.042 6.401 40 HB2 GLU 7 HB2 GLU 7 -1.334 5.324 4.412 41 HB3 GLU 7 HB3 GLU 7 0.281 5.709 4.991 42 HG2 GLU 7 HG2 GLU 7 1.229 4.251 3.307 43 HG3 GLU 7 HG3 GLU 7 -0.374 3.846 2.734 44 H THR 8 H THR 8 -2.663 3.894 4.580 45 HA THR 8 HA THR 8 -2.796 1.200 3.527 46 HB THR 8 HB THR 8 -5.245 1.314 4.345 47 HG1 THR 8 HG1 THR 8 -4.031 2.999 6.255 48 HG21 THR 8 HG21 THR 8 -3.653 -0.337 5.212 49 HG22 THR 8 HG22 THR 8 -4.665 0.277 6.520 50 HG23 THR 8 HG23 THR 8 -3.009 0.858 6.338 51 H CYS 9 H CYS 9 -4.660 1.078 2.013 52 HA CYS 9 HA CYS 9 -5.248 3.668 0.820 53 HB2 CYS 9 HB2 CYS 9 -5.227 2.396 -1.380 54 HB3 CYS 9 HB3 CYS 9 -3.667 2.777 -0.680 55 H VAL 10 H VAL 10 -7.260 3.491 2.045 56 HA VAL 10 HA VAL 10 -9.012 1.307 1.354 57 HB VAL 10 HB VAL 10 -9.761 3.924 2.669 58 HG11 VAL 10 HG11 VAL 10 -11.667 2.651 3.604 59 HG12 VAL 10 HG12 VAL 10 -11.148 1.237 2.689 60 HG13 VAL 10 HG13 VAL 10 -11.691 2.683 1.840 61 HG21 VAL 10 HG21 VAL 10 -9.522 2.770 4.825 62 HG22 VAL 10 HG22 VAL 10 -7.994 2.819 3.939 63 HG23 VAL 10 HG23 VAL 10 -8.942 1.334 3.981 64 H GLY 11 H GLY 11 -8.290 4.460 0.210 65 HA2 GLY 11 HA2 GLY 11 -10.536 4.503 -1.633 66 HA3 GLY 11 HA3 GLY 11 -9.294 5.742 -1.460 67 H GLY 12 H GLY 12 -7.490 3.125 -1.465 68 HA2 GLY 12 HA2 GLY 12 -6.594 1.686 -3.076 69 HA3 GLY 12 HA3 GLY 12 -7.629 2.439 -4.281 70 H THR 13 H THR 13 -6.018 4.710 -2.392 71 HA THR 13 HA THR 13 -3.973 5.046 -4.446 72 HB THR 13 HB THR 13 -5.439 7.245 -3.025 73 HG1 THR 13 HG1 THR 13 -6.108 5.798 -5.379 74 HG21 THR 13 HG21 THR 13 -3.270 7.802 -4.055 75 HG22 THR 13 HG22 THR 13 -4.601 8.623 -4.869 76 HG23 THR 13 HG23 THR 13 -3.863 7.202 -5.605 77 H CYS 14 H CYS 14 -2.092 5.017 -3.474 78 HA CYS 14 HA CYS 14 -1.886 5.521 -0.603 79 HB2 CYS 14 HB2 CYS 14 0.237 4.518 -2.513 80 HB3 CYS 14 HB3 CYS 14 0.329 4.526 -0.753 81 H ASN 15 H ASN 15 -0.416 7.022 0.240 82 HA ASN 15 HA ASN 15 -0.135 9.400 -1.407 83 HB2 ASN 15 HB2 ASN 15 -1.143 9.593 0.811 84 HB3 ASN 15 HB3 ASN 15 0.321 8.958 1.541 85 HD21 ASN 15 HD21 ASN 15 -1.129 11.700 -0.032 86 HD22 ASN 15 HD22 ASN 15 0.100 12.828 0.387 87 H THR 16 H THR 16 1.919 7.501 0.768 88 HA THR 16 HA THR 16 4.269 8.829 0.406 89 HB THR 16 HB THR 16 3.919 5.862 0.890 90 HG1 THR 16 HG1 THR 16 2.803 6.979 2.419 91 HG21 THR 16 HG21 THR 16 6.243 6.493 0.354 92 HG22 THR 16 HG22 THR 16 6.071 6.023 2.046 93 HG23 THR 16 HG23 THR 16 6.183 7.729 1.612 94 HA PRO 17 HA PRO 17 5.202 8.183 -3.934 95 HB2 PRO 17 HB2 PRO 17 7.799 9.110 -3.792 96 HB3 PRO 17 HB3 PRO 17 6.382 10.150 -3.970 97 HG2 PRO 17 HG2 PRO 17 7.933 9.459 -1.517 98 HG3 PRO 17 HG3 PRO 17 7.238 11.014 -2.003 99 HD2 PRO 17 HD2 PRO 17 6.078 9.459 -0.164 100 HD3 PRO 17 HD3 PRO 17 5.111 10.424 -1.300 101 H GLY 18 H GLY 18 5.573 6.244 -4.642 102 HA2 GLY 18 HA2 GLY 18 7.193 4.571 -5.249 103 HA3 GLY 18 HA3 GLY 18 7.957 4.823 -3.682 104 H CYS 19 H CYS 19 4.696 4.924 -3.161 105 HA CYS 19 HA CYS 19 4.690 2.077 -2.556 106 HB2 CYS 19 HB2 CYS 19 2.822 4.201 -1.549 107 HB3 CYS 19 HB3 CYS 19 2.815 2.523 -1.098 108 H THR 20 H THR 20 2.733 0.941 -2.823 109 HA THR 20 HA THR 20 1.011 1.807 -5.000 110 HB THR 20 HB THR 20 1.261 -0.644 -5.731 111 HG1 THR 20 HG1 THR 20 3.839 -0.347 -4.601 112 HG21 THR 20 HG21 THR 20 1.991 1.247 -7.132 113 HG22 THR 20 HG22 THR 20 3.129 -0.092 -7.253 114 HG23 THR 20 HG23 THR 20 3.519 1.308 -6.252 115 H CYS 21 H CYS 21 -1.048 0.890 -4.837 116 HA CYS 21 HA CYS 21 -1.673 -0.477 -2.350 117 HB2 CYS 21 HB2 CYS 21 -3.076 1.498 -3.150 118 HB3 CYS 21 HB3 CYS 21 -3.548 0.501 -4.526 119 H SER 22 H SER 22 -0.786 -2.435 -2.839 120 HA SER 22 HA SER 22 -1.606 -3.797 -5.265 121 HB2 SER 22 HB2 SER 22 0.768 -3.926 -4.447 122 HB3 SER 22 HB3 SER 22 0.194 -4.834 -3.052 123 HG SER 22 HG SER 22 -0.702 -5.871 -5.401 124 H TRP 23 H TRP 23 -1.467 -4.918 -1.872 125 HA TRP 23 HA TRP 23 -3.890 -6.416 -2.392 126 HB2 TRP 23 HB2 TRP 23 -2.135 -6.341 0.083 127 HB3 TRP 23 HB3 TRP 23 -3.533 -7.379 -0.145 128 HD1 TRP 23 HD1 TRP 23 -3.254 -9.211 -2.244 129 HE1 TRP 23 HE1 TRP 23 -1.159 -10.569 -2.902 130 HE3 TRP 23 HE3 TRP 23 0.315 -6.374 0.061 131 HZ2 TRP 23 HZ2 TRP 23 1.630 -10.458 -2.476 132 HZ3 TRP 23 HZ3 TRP 23 2.678 -7.084 -0.106 133 HH2 TRP 23 HH2 TRP 23 3.306 -9.081 -1.347 134 H TRP 24 H TRP 24 -5.329 -4.735 -2.570 135 HA TRP 24 HA TRP 24 -5.622 -2.541 -0.911 136 HB2 TRP 24 HB2 TRP 24 -6.804 -2.822 -3.078 137 HB3 TRP 24 HB3 TRP 24 -7.799 -4.086 -2.373 138 HD1 TRP 24 HD1 TRP 24 -7.284 -0.288 -2.288 139 HE1 TRP 24 HE1 TRP 24 -9.438 0.813 -1.308 140 HE3 TRP 24 HE3 TRP 24 -9.850 -4.492 -0.962 141 HZ2 TRP 24 HZ2 TRP 24 -11.858 -0.004 -0.173 142 HZ3 TRP 24 HZ3 TRP 24 -12.075 -4.250 0.054 143 HH2 TRP 24 HH2 TRP 24 -13.054 -2.056 0.439 144 HA PRO 25 HA PRO 25 -6.571 -1.302 0.301 145 HB2 PRO 25 HB2 PRO 25 -7.330 -0.333 2.675 146 HB3 PRO 25 HB3 PRO 25 -8.503 -0.910 1.487 147 HG2 PRO 25 HG2 PRO 25 -7.737 -2.093 4.056 148 HG3 PRO 25 HG3 PRO 25 -9.162 -2.417 3.057 149 HD2 PRO 25 HD2 PRO 25 -6.637 -3.887 3.211 150 HD3 PRO 25 HD3 PRO 25 -8.163 -4.367 2.441 151 H VAL 26 H VAL 26 -4.347 -3.091 1.134 152 HA VAL 26 HA VAL 26 -2.979 -1.416 3.114 153 HB VAL 26 HB VAL 26 -2.278 -4.221 2.182 154 HG11 VAL 26 HG11 VAL 26 -0.737 -4.267 4.090 155 HG12 VAL 26 HG12 VAL 26 -1.146 -2.590 4.452 156 HG13 VAL 26 HG13 VAL 26 -0.326 -2.990 2.944 157 HG21 VAL 26 HG21 VAL 26 -4.360 -4.249 3.442 158 HG22 VAL 26 HG22 VAL 26 -3.603 -3.340 4.749 159 HG23 VAL 26 HG23 VAL 26 -3.065 -4.980 4.387 160 H CYS 27 H CYS 27 -1.246 -0.184 2.426 161 HA CYS 27 HA CYS 27 -0.505 -0.402 -0.342 162 HB2 CYS 27 HB2 CYS 27 0.486 1.476 1.771 163 HB3 CYS 27 HB3 CYS 27 0.880 1.519 0.090 164 H THR 28 H THR 28 1.524 -0.539 -0.934 165 HA THR 28 HA THR 28 3.466 -1.823 0.853 166 HB THR 28 HB THR 28 4.082 -3.284 -1.059 167 HG1 THR 28 HG1 THR 28 2.087 -1.891 -2.294 168 HG21 THR 28 HG21 THR 28 2.868 -4.174 0.804 169 HG22 THR 28 HG22 THR 28 2.314 -4.923 -0.704 170 HG23 THR 28 HG23 THR 28 1.330 -3.674 0.083 171 H ARG 29 H ARG 29 5.651 -1.814 -0.255 172 HA ARG 29 HA ARG 29 5.941 0.627 -1.625 173 HB2 ARG 29 HB2 ARG 29 7.878 -1.434 -0.583 174 HB3 ARG 29 HB3 ARG 29 8.399 -0.015 -1.452 175 HG2 ARG 29 HG2 ARG 29 6.845 0.058 1.091 176 HG3 ARG 29 HG3 ARG 29 8.601 0.166 0.967 177 HD2 ARG 29 HD2 ARG 29 6.658 2.069 -0.328 178 HD3 ARG 29 HD3 ARG 29 7.476 2.357 1.199 179 HE ARG 29 HE ARG 29 9.475 1.821 -0.617 180 HH11 ARG 29 HH11 ARG 29 6.918 4.241 -0.358 181 HH12 ARG 29 HH12 ARG 29 7.825 5.455 -1.152 182 HH21 ARG 29 HH21 ARG 29 10.692 3.483 -1.651 183 HH22 ARG 29 HH22 ARG 29 10.023 5.030 -1.868 184 H ASN 30 H ASN 30 7.576 -2.482 -2.348 185 HA ASN 30 HA ASN 30 6.375 -2.477 -4.940 186 HB2 ASN 30 HB2 ASN 30 9.248 -2.687 -4.092 187 HB3 ASN 30 HB3 ASN 30 8.682 -3.610 -5.464 188 HD21 ASN 30 HD21 ASN 30 7.248 -0.517 -4.870 189 HD22 ASN 30 HD22 ASN 30 8.052 0.383 -6.079 Start of MODEL 17 1 H1 GLY 1 H GLY 1 5.562 -3.103 -3.125 2 HA2 GLY 1 HA2 GLY 1 4.176 -4.919 -2.779 3 HA3 GLY 1 HA3 GLY 1 5.506 -5.984 -3.305 4 H LEU 2 H LEU 2 6.234 -3.492 -1.130 5 HA LEU 2 HA LEU 2 6.411 -5.433 1.090 6 HB2 LEU 2 HB2 LEU 2 8.583 -4.854 0.035 7 HB3 LEU 2 HB3 LEU 2 8.285 -3.180 0.444 8 HG LEU 2 HG LEU 2 8.374 -3.715 2.828 9 HD11 LEU 2 HD11 LEU 2 7.613 -6.015 2.774 10 HD12 LEU 2 HD12 LEU 2 9.186 -5.908 3.562 11 HD13 LEU 2 HD13 LEU 2 9.068 -6.493 1.902 12 HD21 LEU 2 HD21 LEU 2 10.773 -4.164 2.951 13 HD22 LEU 2 HD22 LEU 2 10.389 -2.999 1.683 14 HD23 LEU 2 HD23 LEU 2 10.759 -4.672 1.262 15 HA PRO 3 HA PRO 3 3.904 -2.146 2.884 16 HB2 PRO 3 HB2 PRO 3 3.695 -3.695 5.310 17 HB3 PRO 3 HB3 PRO 3 2.442 -3.337 4.119 18 HG2 PRO 3 HG2 PRO 3 3.510 -5.838 4.507 19 HG3 PRO 3 HG3 PRO 3 2.781 -5.288 2.991 20 HD2 PRO 3 HD2 PRO 3 5.667 -5.526 3.731 21 HD3 PRO 3 HD3 PRO 3 4.853 -5.846 2.181 22 H VAL 4 H VAL 4 5.856 -0.937 2.967 23 HA VAL 4 HA VAL 4 6.700 -0.480 5.751 24 HB VAL 4 HB VAL 4 8.943 0.302 4.853 25 HG11 VAL 4 HG11 VAL 4 8.786 -1.821 5.979 26 HG12 VAL 4 HG12 VAL 4 9.872 -1.992 4.596 27 HG13 VAL 4 HG13 VAL 4 8.216 -2.599 4.510 28 HG21 VAL 4 HG21 VAL 4 8.323 0.591 2.518 29 HG22 VAL 4 HG22 VAL 4 8.015 -1.139 2.368 30 HG23 VAL 4 HG23 VAL 4 9.654 -0.558 2.666 31 H CYS 5 H CYS 5 4.715 0.626 3.845 32 HA CYS 5 HA CYS 5 5.616 3.352 3.541 33 HB2 CYS 5 HB2 CYS 5 2.931 2.149 2.860 34 HB3 CYS 5 HB3 CYS 5 3.505 3.745 2.430 35 H GLY 6 H GLY 6 3.637 1.403 5.469 36 HA2 GLY 6 HA2 GLY 6 2.955 1.755 7.636 37 HA3 GLY 6 HA3 GLY 6 3.510 3.420 7.481 38 H GLU 7 H GLU 7 1.692 2.895 4.888 39 HA GLU 7 HA GLU 7 -0.748 3.774 6.280 40 HB2 GLU 7 HB2 GLU 7 -1.293 5.277 4.489 41 HB3 GLU 7 HB3 GLU 7 0.342 5.612 5.031 42 HG2 GLU 7 HG2 GLU 7 1.224 4.380 3.153 43 HG3 GLU 7 HG3 GLU 7 -0.399 4.009 2.615 44 H THR 8 H THR 8 -2.602 3.746 4.510 45 HA THR 8 HA THR 8 -2.704 1.056 3.395 46 HB THR 8 HB THR 8 -5.162 1.178 4.152 47 HG1 THR 8 HG1 THR 8 -4.354 2.691 6.333 48 HG21 THR 8 HG21 THR 8 -4.626 0.248 6.371 49 HG22 THR 8 HG22 THR 8 -2.970 0.840 6.212 50 HG23 THR 8 HG23 THR 8 -3.573 -0.409 5.118 51 H CYS 9 H CYS 9 -4.629 0.889 1.873 52 HA CYS 9 HA CYS 9 -5.304 3.406 0.634 53 HB2 CYS 9 HB2 CYS 9 -5.072 2.155 -1.568 54 HB3 CYS 9 HB3 CYS 9 -3.577 2.660 -0.803 55 H VAL 10 H VAL 10 -7.311 3.173 1.638 56 HA VAL 10 HA VAL 10 -8.871 0.795 1.231 57 HB VAL 10 HB VAL 10 -9.765 3.526 2.228 58 HG11 VAL 10 HG11 VAL 10 -11.631 2.131 1.447 59 HG12 VAL 10 HG12 VAL 10 -11.676 2.334 3.199 60 HG13 VAL 10 HG13 VAL 10 -11.094 0.823 2.500 61 HG21 VAL 10 HG21 VAL 10 -8.931 1.080 3.779 62 HG22 VAL 10 HG22 VAL 10 -9.571 2.569 4.475 63 HG23 VAL 10 HG23 VAL 10 -8.020 2.581 3.633 64 H GLY 11 H GLY 11 -8.541 3.919 -0.234 65 HA2 GLY 11 HA2 GLY 11 -10.611 3.344 -2.194 66 HA3 GLY 11 HA3 GLY 11 -9.651 4.820 -2.089 67 H GLY 12 H GLY 12 -7.174 3.249 -1.806 68 HA2 GLY 12 HA2 GLY 12 -5.968 1.670 -3.298 69 HA3 GLY 12 HA3 GLY 12 -6.960 2.317 -4.590 70 H THR 13 H THR 13 -5.912 4.716 -2.448 71 HA THR 13 HA THR 13 -3.879 5.518 -4.393 72 HB THR 13 HB THR 13 -5.525 7.350 -2.695 73 HG1 THR 13 HG1 THR 13 -7.122 7.133 -4.097 74 HG21 THR 13 HG21 THR 13 -3.463 8.272 -3.642 75 HG22 THR 13 HG22 THR 13 -4.873 9.035 -4.373 76 HG23 THR 13 HG23 THR 13 -3.983 7.799 -5.261 77 H CYS 14 H CYS 14 -2.037 5.382 -3.445 78 HA CYS 14 HA CYS 14 -1.787 5.692 -0.551 79 HB2 CYS 14 HB2 CYS 14 0.340 4.937 -2.555 80 HB3 CYS 14 HB3 CYS 14 0.421 4.781 -0.804 81 H ASN 15 H ASN 15 -0.737 7.361 0.388 82 HA ASN 15 HA ASN 15 -0.420 9.731 -1.192 83 HB2 ASN 15 HB2 ASN 15 -1.405 9.927 1.032 84 HB3 ASN 15 HB3 ASN 15 0.048 9.249 1.759 85 HD21 ASN 15 HD21 ASN 15 1.842 10.578 2.073 86 HD22 ASN 15 HD22 ASN 15 1.810 12.261 1.762 87 H THR 16 H THR 16 1.707 7.740 0.823 88 HA THR 16 HA THR 16 4.061 9.062 0.430 89 HB THR 16 HB THR 16 3.687 6.073 0.678 90 HG1 THR 16 HG1 THR 16 2.738 7.088 2.393 91 HG21 THR 16 HG21 THR 16 5.958 6.664 -0.033 92 HG22 THR 16 HG22 THR 16 5.964 6.113 1.642 93 HG23 THR 16 HG23 THR 16 6.078 7.835 1.278 94 HA PRO 17 HA PRO 17 4.688 8.509 -4.000 95 HB2 PRO 17 HB2 PRO 17 7.202 9.665 -3.993 96 HB3 PRO 17 HB3 PRO 17 5.697 10.574 -4.151 97 HG2 PRO 17 HG2 PRO 17 7.422 10.157 -1.760 98 HG3 PRO 17 HG3 PRO 17 6.503 11.591 -2.245 99 HD2 PRO 17 HD2 PRO 17 5.694 9.911 -0.302 100 HD3 PRO 17 HD3 PRO 17 4.547 10.796 -1.329 101 H GLY 18 H GLY 18 5.235 6.569 -4.652 102 HA2 GLY 18 HA2 GLY 18 7.072 5.082 -5.174 103 HA3 GLY 18 HA3 GLY 18 7.684 5.368 -3.544 104 H CYS 19 H CYS 19 4.504 5.278 -3.074 105 HA CYS 19 HA CYS 19 4.566 2.366 -2.798 106 HB2 CYS 19 HB2 CYS 19 2.691 4.223 -1.410 107 HB3 CYS 19 HB3 CYS 19 2.895 2.525 -1.141 108 H THR 20 H THR 20 2.890 1.233 -3.336 109 HA THR 20 HA THR 20 0.833 2.427 -4.984 110 HB THR 20 HB THR 20 1.183 0.256 -6.370 111 HG1 THR 20 HG1 THR 20 3.235 -0.513 -6.408 112 HG21 THR 20 HG21 THR 20 3.095 2.591 -6.614 113 HG22 THR 20 HG22 THR 20 1.473 2.509 -7.301 114 HG23 THR 20 HG23 THR 20 2.739 1.436 -7.898 115 H CYS 21 H CYS 21 -1.112 1.260 -4.949 116 HA CYS 21 HA CYS 21 -1.449 -0.462 -2.648 117 HB2 CYS 21 HB2 CYS 21 -3.162 1.370 -3.412 118 HB3 CYS 21 HB3 CYS 21 -3.529 0.211 -4.695 119 H SER 22 H SER 22 0.015 -2.090 -3.627 120 HA SER 22 HA SER 22 -0.714 -3.508 -5.903 121 HB2 SER 22 HB2 SER 22 1.063 -4.227 -3.591 122 HB3 SER 22 HB3 SER 22 1.086 -4.880 -5.230 123 HG SER 22 HG SER 22 1.430 -2.646 -5.908 124 H TRP 23 H TRP 23 -1.132 -4.031 -2.406 125 HA TRP 23 HA TRP 23 -3.120 -6.026 -3.132 126 HB2 TRP 23 HB2 TRP 23 -1.063 -7.111 -2.166 127 HB3 TRP 23 HB3 TRP 23 -1.351 -6.205 -0.682 128 HD1 TRP 23 HD1 TRP 23 -2.996 -8.929 -2.846 129 HE1 TRP 23 HE1 TRP 23 -4.544 -10.346 -1.361 130 HE3 TRP 23 HE3 TRP 23 -2.596 -6.260 1.494 131 HZ2 TRP 23 HZ2 TRP 23 -5.460 -10.337 1.312 132 HZ3 TRP 23 HZ3 TRP 23 -3.831 -7.039 3.473 133 HH2 TRP 23 HH2 TRP 23 -5.233 -9.037 3.379 134 H TRP 24 H TRP 24 -4.806 -4.824 -2.924 135 HA TRP 24 HA TRP 24 -5.262 -2.760 -1.137 136 HB2 TRP 24 HB2 TRP 24 -6.520 -3.246 -3.239 137 HB3 TRP 24 HB3 TRP 24 -7.287 -4.604 -2.428 138 HD1 TRP 24 HD1 TRP 24 -7.252 -0.784 -2.506 139 HE1 TRP 24 HE1 TRP 24 -9.425 0.067 -1.350 140 HE3 TRP 24 HE3 TRP 24 -9.071 -5.219 -0.723 141 HZ2 TRP 24 HZ2 TRP 24 -11.573 -0.991 0.092 142 HZ3 TRP 24 HZ3 TRP 24 -11.191 -5.207 0.539 143 HH2 TRP 24 HH2 TRP 24 -12.406 -3.135 0.930 144 HA PRO 25 HA PRO 25 -6.370 -1.784 0.187 145 HB2 PRO 25 HB2 PRO 25 -7.173 -1.048 2.611 146 HB3 PRO 25 HB3 PRO 25 -8.272 -1.857 1.489 147 HG2 PRO 25 HG2 PRO 25 -7.029 -2.891 3.955 148 HG3 PRO 25 HG3 PRO 25 -8.481 -3.451 3.112 149 HD2 PRO 25 HD2 PRO 25 -5.770 -4.491 2.964 150 HD3 PRO 25 HD3 PRO 25 -7.256 -5.147 2.248 151 H VAL 26 H VAL 26 -3.788 -3.166 0.901 152 HA VAL 26 HA VAL 26 -2.717 -1.177 2.779 153 HB VAL 26 HB VAL 26 -1.655 -3.968 2.206 154 HG11 VAL 26 HG11 VAL 26 0.170 -2.406 2.704 155 HG12 VAL 26 HG12 VAL 26 -0.048 -3.548 4.027 156 HG13 VAL 26 HG13 VAL 26 -0.652 -1.899 4.175 157 HG21 VAL 26 HG21 VAL 26 -3.672 -4.039 3.547 158 HG22 VAL 26 HG22 VAL 26 -3.001 -2.838 4.653 159 HG23 VAL 26 HG23 VAL 26 -2.269 -4.439 4.543 160 H CYS 27 H CYS 27 -0.957 0.039 2.130 161 HA CYS 27 HA CYS 27 -0.291 -0.174 -0.660 162 HB2 CYS 27 HB2 CYS 27 0.743 1.704 1.418 163 HB3 CYS 27 HB3 CYS 27 1.033 1.772 -0.284 164 H THR 28 H THR 28 1.738 -0.351 -1.290 165 HA THR 28 HA THR 28 3.664 -1.471 0.562 166 HB THR 28 HB THR 28 4.107 -3.174 -1.352 167 HG1 THR 28 HG1 THR 28 2.525 -2.254 -2.782 168 HG21 THR 28 HG21 THR 28 2.544 -4.753 -0.307 169 HG22 THR 28 HG22 THR 28 1.730 -3.379 0.477 170 HG23 THR 28 HG23 THR 28 3.411 -3.753 0.870 171 H ARG 29 H ARG 29 5.818 -1.532 -0.371 172 HA ARG 29 HA ARG 29 6.154 0.820 -1.979 173 HB2 ARG 29 HB2 ARG 29 7.504 0.099 0.153 174 HB3 ARG 29 HB3 ARG 29 8.464 -0.804 -1.009 175 HG2 ARG 29 HG2 ARG 29 9.558 1.249 -0.737 176 HG3 ARG 29 HG3 ARG 29 8.713 1.355 -2.288 177 HD2 ARG 29 HD2 ARG 29 8.161 3.405 -1.247 178 HD3 ARG 29 HD3 ARG 29 6.800 2.320 -0.929 179 HE ARG 29 HE ARG 29 7.876 1.861 1.248 180 HH11 ARG 29 HH11 ARG 29 8.447 4.962 -0.360 181 HH12 ARG 29 HH12 ARG 29 8.542 5.855 1.081 182 HH21 ARG 29 HH21 ARG 29 8.013 3.122 3.284 183 HH22 ARG 29 HH22 ARG 29 8.311 4.780 3.174 184 H ASN 30 H ASN 30 7.609 -2.471 -2.073 185 HA ASN 30 HA ASN 30 7.610 -2.406 -4.954 186 HB2 ASN 30 HB2 ASN 30 9.548 -3.904 -4.657 187 HB3 ASN 30 HB3 ASN 30 9.930 -2.249 -4.149 188 HD21 ASN 30 HD21 ASN 30 10.356 -1.930 -1.930 189 HD22 ASN 30 HD22 ASN 30 10.634 -3.236 -0.846 Start of MODEL 18 1 H1 GLY 1 H GLY 1 5.132 -3.099 -2.873 2 HA2 GLY 1 HA2 GLY 1 3.772 -4.925 -2.578 3 HA3 GLY 1 HA3 GLY 1 5.102 -5.984 -3.130 4 H LEU 2 H LEU 2 6.166 -3.603 -1.072 5 HA LEU 2 HA LEU 2 6.280 -5.550 1.134 6 HB2 LEU 2 HB2 LEU 2 8.453 -4.930 0.093 7 HB3 LEU 2 HB3 LEU 2 8.146 -3.263 0.537 8 HG LEU 2 HG LEU 2 8.199 -3.891 2.910 9 HD11 LEU 2 HD11 LEU 2 7.516 -6.211 2.747 10 HD12 LEU 2 HD12 LEU 2 9.071 -6.071 3.569 11 HD13 LEU 2 HD13 LEU 2 9.009 -6.597 1.889 12 HD21 LEU 2 HD21 LEU 2 10.202 -3.052 1.873 13 HD22 LEU 2 HD22 LEU 2 10.628 -4.669 1.316 14 HD23 LEU 2 HD23 LEU 2 10.615 -4.302 3.042 15 HA PRO 3 HA PRO 3 3.758 -2.342 3.047 16 HB2 PRO 3 HB2 PRO 3 3.561 -4.003 5.395 17 HB3 PRO 3 HB3 PRO 3 2.299 -3.586 4.232 18 HG2 PRO 3 HG2 PRO 3 3.362 -6.110 4.495 19 HG3 PRO 3 HG3 PRO 3 2.624 -5.495 3.008 20 HD2 PRO 3 HD2 PRO 3 5.512 -5.776 3.718 21 HD3 PRO 3 HD3 PRO 3 4.688 -6.010 2.160 22 H VAL 4 H VAL 4 5.733 -1.144 3.168 23 HA VAL 4 HA VAL 4 6.587 -0.846 5.964 24 HB VAL 4 HB VAL 4 8.844 -0.086 5.135 25 HG11 VAL 4 HG11 VAL 4 8.030 -2.934 4.619 26 HG12 VAL 4 HG12 VAL 4 8.632 -2.253 6.128 27 HG13 VAL 4 HG13 VAL 4 9.700 -2.381 4.728 28 HG21 VAL 4 HG21 VAL 4 9.563 -0.817 2.899 29 HG22 VAL 4 HG22 VAL 4 8.261 0.370 2.809 30 HG23 VAL 4 HG23 VAL 4 7.915 -1.339 2.547 31 H CYS 5 H CYS 5 4.709 0.489 3.900 32 HA CYS 5 HA CYS 5 5.806 3.130 3.814 33 HB2 CYS 5 HB2 CYS 5 3.008 2.210 3.078 34 HB3 CYS 5 HB3 CYS 5 3.682 3.797 2.753 35 H GLY 6 H GLY 6 3.573 1.301 5.614 36 HA2 GLY 6 HA2 GLY 6 2.834 1.638 7.766 37 HA3 GLY 6 HA3 GLY 6 3.571 3.243 7.706 38 H GLU 7 H GLU 7 1.859 3.002 5.000 39 HA GLU 7 HA GLU 7 -0.540 4.091 6.294 40 HB2 GLU 7 HB2 GLU 7 -0.945 5.556 4.436 41 HB3 GLU 7 HB3 GLU 7 0.695 5.797 4.997 42 HG2 GLU 7 HG2 GLU 7 1.510 4.443 3.146 43 HG3 GLU 7 HG3 GLU 7 -0.137 4.215 2.588 44 H THR 8 H THR 8 -2.335 4.147 4.533 45 HA THR 8 HA THR 8 -2.642 1.445 3.521 46 HB THR 8 HB THR 8 -5.069 1.725 4.378 47 HG1 THR 8 HG1 THR 8 -4.299 3.964 5.194 48 HG21 THR 8 HG21 THR 8 -4.468 0.679 6.524 49 HG22 THR 8 HG22 THR 8 -2.783 1.138 6.255 50 HG23 THR 8 HG23 THR 8 -3.574 -0.012 5.172 51 H CYS 9 H CYS 9 -4.638 1.309 2.165 52 HA CYS 9 HA CYS 9 -5.219 3.792 0.807 53 HB2 CYS 9 HB2 CYS 9 -5.130 2.464 -1.343 54 HB3 CYS 9 HB3 CYS 9 -3.580 2.873 -0.636 55 H VAL 10 H VAL 10 -7.213 3.705 1.866 56 HA VAL 10 HA VAL 10 -8.896 1.405 1.472 57 HB VAL 10 HB VAL 10 -9.612 4.164 2.491 58 HG11 VAL 10 HG11 VAL 10 -11.086 1.538 2.787 59 HG12 VAL 10 HG12 VAL 10 -11.575 2.881 1.758 60 HG13 VAL 10 HG13 VAL 10 -11.572 3.072 3.512 61 HG21 VAL 10 HG21 VAL 10 -8.869 1.689 4.048 62 HG22 VAL 10 HG22 VAL 10 -9.406 3.217 4.749 63 HG23 VAL 10 HG23 VAL 10 -7.885 3.138 3.866 64 H GLY 11 H GLY 11 -8.279 4.471 0.029 65 HA2 GLY 11 HA2 GLY 11 -10.498 4.242 -1.836 66 HA3 GLY 11 HA3 GLY 11 -9.342 5.566 -1.751 67 H GLY 12 H GLY 12 -7.376 3.052 -1.608 68 HA2 GLY 12 HA2 GLY 12 -6.427 1.553 -3.152 69 HA3 GLY 12 HA3 GLY 12 -7.558 2.165 -4.352 70 H THR 13 H THR 13 -5.749 4.435 -2.555 71 HA THR 13 HA THR 13 -3.649 4.575 -4.528 72 HB THR 13 HB THR 13 -5.361 6.962 -3.850 73 HG1 THR 13 HG1 THR 13 -5.598 4.989 -5.732 74 HG21 THR 13 HG21 THR 13 -3.031 7.506 -4.374 75 HG22 THR 13 HG22 THR 13 -4.092 8.052 -5.674 76 HG23 THR 13 HG23 THR 13 -3.141 6.582 -5.870 77 H CYS 14 H CYS 14 -1.854 4.984 -3.543 78 HA CYS 14 HA CYS 14 -1.870 5.635 -0.703 79 HB2 CYS 14 HB2 CYS 14 0.388 4.688 -2.460 80 HB3 CYS 14 HB3 CYS 14 0.400 4.794 -0.700 81 H ASN 15 H ASN 15 -0.457 7.210 0.156 82 HA ASN 15 HA ASN 15 -0.384 9.580 -1.479 83 HB2 ASN 15 HB2 ASN 15 0.356 9.182 1.423 84 HB3 ASN 15 HB3 ASN 15 0.235 10.734 0.602 85 HD21 ASN 15 HD21 ASN 15 -1.502 8.035 1.895 86 HD22 ASN 15 HD22 ASN 15 -3.062 8.777 1.898 87 H THR 16 H THR 16 1.986 7.876 0.574 88 HA THR 16 HA THR 16 4.233 9.286 -0.150 89 HB THR 16 HB THR 16 4.104 6.330 0.466 90 HG1 THR 16 HG1 THR 16 3.169 7.400 2.124 91 HG21 THR 16 HG21 THR 16 6.286 7.067 -0.443 92 HG22 THR 16 HG22 THR 16 6.416 6.632 1.257 93 HG23 THR 16 HG23 THR 16 6.365 8.330 0.785 94 HA PRO 17 HA PRO 17 4.642 8.214 -4.520 95 HB2 PRO 17 HB2 PRO 17 7.245 9.587 -4.177 96 HB3 PRO 17 HB3 PRO 17 5.952 9.931 -5.329 97 HG2 PRO 17 HG2 PRO 17 6.431 11.543 -3.251 98 HG3 PRO 17 HG3 PRO 17 4.782 11.239 -3.829 99 HD2 PRO 17 HD2 PRO 17 6.200 10.114 -1.450 100 HD3 PRO 17 HD3 PRO 17 4.507 10.634 -1.630 101 H GLY 18 H GLY 18 5.169 6.158 -4.774 102 HA2 GLY 18 HA2 GLY 18 7.148 4.729 -5.219 103 HA3 GLY 18 HA3 GLY 18 7.697 5.184 -3.606 104 H CYS 19 H CYS 19 4.617 5.095 -3.075 105 HA CYS 19 HA CYS 19 4.637 2.234 -2.507 106 HB2 CYS 19 HB2 CYS 19 2.715 4.285 -1.438 107 HB3 CYS 19 HB3 CYS 19 2.806 2.614 -0.989 108 H THR 20 H THR 20 2.768 1.064 -2.842 109 HA THR 20 HA THR 20 1.026 1.988 -4.963 110 HB THR 20 HB THR 20 1.314 -0.435 -5.778 111 HG1 THR 20 HG1 THR 20 3.873 -0.054 -4.576 112 HG21 THR 20 HG21 THR 20 3.508 1.590 -6.258 113 HG22 THR 20 HG22 THR 20 1.965 1.527 -7.107 114 HG23 THR 20 HG23 THR 20 3.138 0.224 -7.310 115 H CYS 21 H CYS 21 -1.010 1.102 -4.797 116 HA CYS 21 HA CYS 21 -1.574 -0.350 -2.338 117 HB2 CYS 21 HB2 CYS 21 -3.052 1.620 -3.031 118 HB3 CYS 21 HB3 CYS 21 -3.538 0.643 -4.422 119 H SER 22 H SER 22 -0.614 -2.248 -2.947 120 HA SER 22 HA SER 22 -1.723 -3.561 -5.309 121 HB2 SER 22 HB2 SER 22 0.751 -3.248 -5.164 122 HB3 SER 22 HB3 SER 22 0.762 -4.297 -3.750 123 HG SER 22 HG SER 22 -0.428 -5.172 -6.121 124 H TRP 23 H TRP 23 -1.825 -3.602 -1.906 125 HA TRP 23 HA TRP 23 -3.298 -6.095 -2.012 126 HB2 TRP 23 HB2 TRP 23 -1.265 -5.403 0.140 127 HB3 TRP 23 HB3 TRP 23 -2.315 -6.815 0.147 128 HD1 TRP 23 HD1 TRP 23 0.963 -5.570 -1.175 129 HE1 TRP 23 HE1 TRP 23 2.121 -7.429 -2.569 130 HE3 TRP 23 HE3 TRP 23 -2.904 -8.874 -1.520 131 HZ2 TRP 23 HZ2 TRP 23 1.470 -9.925 -3.657 132 HZ3 TRP 23 HZ3 TRP 23 -2.555 -10.967 -2.761 133 HH2 TRP 23 HH2 TRP 23 -0.418 -11.472 -3.805 134 H TRP 24 H TRP 24 -4.934 -4.542 -2.212 135 HA TRP 24 HA TRP 24 -5.455 -2.411 -0.540 136 HB2 TRP 24 HB2 TRP 24 -6.521 -2.824 -2.743 137 HB3 TRP 24 HB3 TRP 24 -7.443 -4.142 -2.039 138 HD1 TRP 24 HD1 TRP 24 -7.161 -0.315 -1.963 139 HE1 TRP 24 HE1 TRP 24 -9.450 0.644 -1.108 140 HE3 TRP 24 HE3 TRP 24 -9.519 -4.682 -0.765 141 HZ2 TRP 24 HZ2 TRP 24 -11.855 -0.328 -0.106 142 HZ3 TRP 24 HZ3 TRP 24 -11.808 -4.587 0.130 143 HH2 TRP 24 HH2 TRP 24 -12.948 -2.451 0.450 144 HA PRO 25 HA PRO 25 -6.591 -1.292 0.606 145 HB2 PRO 25 HB2 PRO 25 -7.349 -0.410 3.052 146 HB3 PRO 25 HB3 PRO 25 -8.490 -0.969 1.828 147 HG2 PRO 25 HG2 PRO 25 -7.802 -2.205 4.364 148 HG3 PRO 25 HG3 PRO 25 -9.084 -2.648 3.230 149 HD2 PRO 25 HD2 PRO 25 -6.394 -3.807 3.557 150 HD3 PRO 25 HD3 PRO 25 -7.825 -4.494 2.765 151 H VAL 26 H VAL 26 -4.189 -2.907 1.518 152 HA VAL 26 HA VAL 26 -2.948 -0.965 3.334 153 HB VAL 26 HB VAL 26 -2.075 -3.805 2.681 154 HG11 VAL 26 HG11 VAL 26 -0.971 -1.876 4.731 155 HG12 VAL 26 HG12 VAL 26 -0.173 -2.368 3.244 156 HG13 VAL 26 HG13 VAL 26 -0.461 -3.551 4.519 157 HG21 VAL 26 HG21 VAL 26 -3.368 -2.708 5.174 158 HG22 VAL 26 HG22 VAL 26 -2.744 -4.346 4.984 159 HG23 VAL 26 HG23 VAL 26 -4.111 -3.803 4.008 160 H CYS 27 H CYS 27 -1.092 0.130 2.659 161 HA CYS 27 HA CYS 27 -0.498 -0.130 -0.137 162 HB2 CYS 27 HB2 CYS 27 0.589 1.737 1.931 163 HB3 CYS 27 HB3 CYS 27 1.020 1.726 0.255 164 H THR 28 H THR 28 1.532 -0.298 -0.792 165 HA THR 28 HA THR 28 3.464 -1.586 0.955 166 HB THR 28 HB THR 28 3.885 -3.212 -0.962 167 HG1 THR 28 HG1 THR 28 1.798 -1.870 -1.995 168 HG21 THR 28 HG21 THR 28 1.302 -3.537 0.566 169 HG22 THR 28 HG22 THR 28 2.927 -3.764 1.210 170 HG23 THR 28 HG23 THR 28 2.355 -4.832 -0.066 171 H ARG 29 H ARG 29 5.577 -1.683 -0.175 172 HA ARG 29 HA ARG 29 5.804 0.751 -1.656 173 HB2 ARG 29 HB2 ARG 29 7.419 -0.233 0.203 174 HB3 ARG 29 HB3 ARG 29 8.175 -0.996 -1.194 175 HG2 ARG 29 HG2 ARG 29 9.349 0.996 -0.933 176 HG3 ARG 29 HG3 ARG 29 8.185 1.337 -2.219 177 HD2 ARG 29 HD2 ARG 29 7.901 3.205 -0.851 178 HD3 ARG 29 HD3 ARG 29 6.663 2.078 -0.274 179 HE ARG 29 HE ARG 29 8.907 1.550 1.198 180 HH11 ARG 29 HH11 ARG 29 6.638 4.249 0.860 181 HH12 ARG 29 HH12 ARG 29 7.014 4.929 2.385 182 HH21 ARG 29 HH21 ARG 29 9.389 2.514 3.311 183 HH22 ARG 29 HH22 ARG 29 8.593 3.951 3.749 184 H ASN 30 H ASN 30 7.292 -2.452 -2.169 185 HA ASN 30 HA ASN 30 6.755 -2.325 -5.009 186 HB2 ASN 30 HB2 ASN 30 8.809 -3.800 -5.016 187 HB3 ASN 30 HB3 ASN 30 9.149 -2.087 -4.709 188 HD21 ASN 30 HD21 ASN 30 9.813 -1.520 -2.632 189 HD22 ASN 30 HD22 ASN 30 10.369 -2.645 -1.476 Start of MODEL 19 1 H1 GLY 1 H GLY 1 5.052 -3.687 -2.425 2 HA2 GLY 1 HA2 GLY 1 3.792 -5.476 -1.596 3 HA3 GLY 1 HA3 GLY 1 5.099 -6.584 -2.082 4 H LEU 2 H LEU 2 6.174 -3.733 -0.722 5 HA LEU 2 HA LEU 2 6.823 -5.113 1.790 6 HB2 LEU 2 HB2 LEU 2 8.728 -4.522 0.306 7 HB3 LEU 2 HB3 LEU 2 8.212 -2.848 0.395 8 HG LEU 2 HG LEU 2 8.710 -2.787 2.763 9 HD11 LEU 2 HD11 LEU 2 9.953 -4.613 3.823 10 HD12 LEU 2 HD12 LEU 2 9.722 -5.594 2.375 11 HD13 LEU 2 HD13 LEU 2 8.330 -5.111 3.347 12 HD21 LEU 2 HD21 LEU 2 11.151 -2.908 2.579 13 HD22 LEU 2 HD22 LEU 2 10.406 -2.106 1.198 14 HD23 LEU 2 HD23 LEU 2 10.977 -3.767 1.048 15 HA PRO 3 HA PRO 3 4.154 -1.764 3.215 16 HB2 PRO 3 HB2 PRO 3 4.042 -3.002 5.790 17 HB3 PRO 3 HB3 PRO 3 2.763 -2.896 4.578 18 HG2 PRO 3 HG2 PRO 3 4.036 -5.244 5.324 19 HG3 PRO 3 HG3 PRO 3 3.177 -4.999 3.796 20 HD2 PRO 3 HD2 PRO 3 6.108 -4.958 4.347 21 HD3 PRO 3 HD3 PRO 3 5.216 -5.494 2.903 22 H VAL 4 H VAL 4 6.055 -0.476 3.080 23 HA VAL 4 HA VAL 4 7.114 0.075 5.760 24 HB VAL 4 HB VAL 4 9.132 1.077 4.601 25 HG11 VAL 4 HG11 VAL 4 10.205 -1.150 4.210 26 HG12 VAL 4 HG12 VAL 4 8.606 -1.878 4.477 27 HG13 VAL 4 HG13 VAL 4 9.382 -0.960 5.753 28 HG21 VAL 4 HG21 VAL 4 8.213 1.269 2.343 29 HG22 VAL 4 HG22 VAL 4 8.061 -0.484 2.242 30 HG23 VAL 4 HG23 VAL 4 9.658 0.257 2.333 31 H CYS 5 H CYS 5 4.783 1.056 4.171 32 HA CYS 5 HA CYS 5 5.610 3.759 4.281 33 HB2 CYS 5 HB2 CYS 5 3.510 2.504 2.585 34 HB3 CYS 5 HB3 CYS 5 3.433 4.227 2.944 35 H GLY 6 H GLY 6 3.567 1.472 5.648 36 HA2 GLY 6 HA2 GLY 6 2.523 1.497 7.664 37 HA3 GLY 6 HA3 GLY 6 2.938 3.199 7.805 38 H GLU 7 H GLU 7 1.582 3.294 5.094 39 HA GLU 7 HA GLU 7 -1.006 3.965 6.282 40 HB2 GLU 7 HB2 GLU 7 -1.435 5.409 4.460 41 HB3 GLU 7 HB3 GLU 7 0.233 5.671 4.935 42 HG2 GLU 7 HG2 GLU 7 0.924 4.183 3.099 43 HG3 GLU 7 HG3 GLU 7 -0.748 4.075 2.602 44 H THR 8 H THR 8 -2.851 3.811 4.658 45 HA THR 8 HA THR 8 -2.887 1.152 3.456 46 HB THR 8 HB THR 8 -5.369 1.230 4.172 47 HG1 THR 8 HG1 THR 8 -4.242 2.874 6.174 48 HG21 THR 8 HG21 THR 8 -3.187 0.779 6.208 49 HG22 THR 8 HG22 THR 8 -3.798 -0.402 5.039 50 HG23 THR 8 HG23 THR 8 -4.848 0.192 6.328 51 H CYS 9 H CYS 9 -4.603 0.945 1.823 52 HA CYS 9 HA CYS 9 -5.250 3.489 0.621 53 HB2 CYS 9 HB2 CYS 9 -5.144 2.164 -1.560 54 HB3 CYS 9 HB3 CYS 9 -3.606 2.571 -0.818 55 H VAL 10 H VAL 10 -7.293 3.506 1.554 56 HA VAL 10 HA VAL 10 -8.954 1.185 1.272 57 HB VAL 10 HB VAL 10 -9.683 3.992 2.163 58 HG11 VAL 10 HG11 VAL 10 -11.649 2.780 1.372 59 HG12 VAL 10 HG12 VAL 10 -11.704 2.924 3.131 60 HG13 VAL 10 HG13 VAL 10 -11.222 1.402 2.382 61 HG21 VAL 10 HG21 VAL 10 -9.645 3.069 4.436 62 HG22 VAL 10 HG22 VAL 10 -8.068 2.944 3.652 63 HG23 VAL 10 HG23 VAL 10 -9.099 1.521 3.790 64 H GLY 11 H GLY 11 -8.538 4.278 -0.281 65 HA2 GLY 11 HA2 GLY 11 -10.645 3.743 -2.197 66 HA3 GLY 11 HA3 GLY 11 -9.630 5.181 -2.120 67 H GLY 12 H GLY 12 -7.301 3.139 -1.857 68 HA2 GLY 12 HA2 GLY 12 -6.241 1.578 -3.356 69 HA3 GLY 12 HA3 GLY 12 -7.290 2.188 -4.623 70 H THR 13 H THR 13 -5.812 4.553 -2.668 71 HA THR 13 HA THR 13 -3.560 4.829 -4.455 72 HB THR 13 HB THR 13 -5.465 7.082 -3.851 73 HG1 THR 13 HG1 THR 13 -5.557 5.185 -5.706 74 HG21 THR 13 HG21 THR 13 -4.083 8.378 -5.439 75 HG22 THR 13 HG22 THR 13 -3.012 6.991 -5.627 76 HG23 THR 13 HG23 THR 13 -3.125 7.810 -4.070 77 H CYS 14 H CYS 14 -1.863 5.316 -3.369 78 HA CYS 14 HA CYS 14 -2.107 5.874 -0.508 79 HB2 CYS 14 HB2 CYS 14 0.299 4.910 -2.053 80 HB3 CYS 14 HB3 CYS 14 0.082 4.919 -0.305 81 H ASN 15 H ASN 15 -0.399 7.304 0.414 82 HA ASN 15 HA ASN 15 -0.214 9.659 -1.284 83 HB2 ASN 15 HB2 ASN 15 0.248 9.349 1.691 84 HB3 ASN 15 HB3 ASN 15 0.298 10.867 0.807 85 HD21 ASN 15 HD21 ASN 15 -1.720 8.358 2.064 86 HD22 ASN 15 HD22 ASN 15 -3.227 9.190 1.899 87 H THR 16 H THR 16 1.798 7.614 0.803 88 HA THR 16 HA THR 16 4.171 8.979 0.643 89 HB THR 16 HB THR 16 3.983 5.969 0.756 90 HG1 THR 16 HG1 THR 16 2.517 6.706 2.218 91 HG21 THR 16 HG21 THR 16 5.922 6.229 2.232 92 HG22 THR 16 HG22 THR 16 5.825 7.980 2.053 93 HG23 THR 16 HG23 THR 16 6.232 6.974 0.660 94 HA PRO 17 HA PRO 17 5.237 8.368 -3.689 95 HB2 PRO 17 HB2 PRO 17 7.800 9.381 -3.450 96 HB3 PRO 17 HB3 PRO 17 6.370 10.381 -3.723 97 HG2 PRO 17 HG2 PRO 17 7.842 9.821 -1.189 98 HG3 PRO 17 HG3 PRO 17 7.085 11.325 -1.738 99 HD2 PRO 17 HD2 PRO 17 5.957 9.703 0.094 100 HD3 PRO 17 HD3 PRO 17 4.986 10.667 -1.040 101 H GLY 18 H GLY 18 5.642 6.363 -4.210 102 HA2 GLY 18 HA2 GLY 18 7.499 4.787 -4.574 103 HA3 GLY 18 HA3 GLY 18 7.865 4.960 -2.856 104 H CYS 19 H CYS 19 4.852 5.028 -2.480 105 HA CYS 19 HA CYS 19 4.618 2.125 -2.704 106 HB2 CYS 19 HB2 CYS 19 3.305 3.855 -0.641 107 HB3 CYS 19 HB3 CYS 19 2.866 2.214 -0.946 108 H THR 20 H THR 20 2.703 1.200 -2.977 109 HA THR 20 HA THR 20 0.692 2.677 -4.443 110 HB THR 20 HB THR 20 0.750 0.647 -5.998 111 HG1 THR 20 HG1 THR 20 3.484 0.554 -5.628 112 HG21 THR 20 HG21 THR 20 2.951 2.716 -6.184 113 HG22 THR 20 HG22 THR 20 1.304 2.904 -6.784 114 HG23 THR 20 HG23 THR 20 2.385 1.723 -7.526 115 H CYS 21 H CYS 21 -1.184 1.202 -4.809 116 HA CYS 21 HA CYS 21 -1.657 -0.359 -2.412 117 HB2 CYS 21 HB2 CYS 21 -3.309 1.378 -3.412 118 HB3 CYS 21 HB3 CYS 21 -3.575 0.156 -4.662 119 H SER 22 H SER 22 0.118 -1.809 -3.428 120 HA SER 22 HA SER 22 -0.336 -3.345 -5.668 121 HB2 SER 22 HB2 SER 22 1.284 -3.934 -3.206 122 HB3 SER 22 HB3 SER 22 1.513 -4.554 -4.841 123 HG SER 22 HG SER 22 1.479 -1.926 -5.041 124 H TRP 23 H TRP 23 -1.441 -3.597 -2.366 125 HA TRP 23 HA TRP 23 -3.109 -5.812 -3.105 126 HB2 TRP 23 HB2 TRP 23 -1.102 -6.880 -2.085 127 HB3 TRP 23 HB3 TRP 23 -1.339 -5.895 -0.643 128 HD1 TRP 23 HD1 TRP 23 -2.842 -6.915 1.189 129 HE1 TRP 23 HE1 TRP 23 -4.455 -8.922 1.324 130 HE3 TRP 23 HE3 TRP 23 -2.834 -8.290 -3.730 131 HZ2 TRP 23 HZ2 TRP 23 -5.578 -10.824 -0.438 132 HZ3 TRP 23 HZ3 TRP 23 -4.204 -10.203 -4.425 133 HH2 TRP 23 HH2 TRP 23 -5.547 -11.444 -2.806 134 H TRP 24 H TRP 24 -4.983 -4.882 -2.767 135 HA TRP 24 HA TRP 24 -5.314 -2.699 -1.033 136 HB2 TRP 24 HB2 TRP 24 -6.635 -3.133 -3.098 137 HB3 TRP 24 HB3 TRP 24 -7.405 -4.493 -2.280 138 HD1 TRP 24 HD1 TRP 24 -7.360 -0.680 -2.387 139 HE1 TRP 24 HE1 TRP 24 -9.456 0.216 -1.125 140 HE3 TRP 24 HE3 TRP 24 -9.124 -5.065 -0.469 141 HZ2 TRP 24 HZ2 TRP 24 -11.541 -0.809 0.443 142 HZ3 TRP 24 HZ3 TRP 24 -11.170 -5.025 0.901 143 HH2 TRP 24 HH2 TRP 24 -12.345 -2.937 1.343 144 HA PRO 25 HA PRO 25 -6.345 -1.705 0.303 145 HB2 PRO 25 HB2 PRO 25 -7.126 -1.032 2.797 146 HB3 PRO 25 HB3 PRO 25 -8.242 -1.634 1.571 147 HG2 PRO 25 HG2 PRO 25 -7.430 -2.926 4.034 148 HG3 PRO 25 HG3 PRO 25 -8.627 -3.465 2.849 149 HD2 PRO 25 HD2 PRO 25 -5.780 -4.239 3.137 150 HD3 PRO 25 HD3 PRO 25 -7.128 -5.131 2.396 151 H VAL 26 H VAL 26 -3.799 -3.098 1.039 152 HA VAL 26 HA VAL 26 -2.812 -1.143 2.985 153 HB VAL 26 HB VAL 26 -2.690 -3.396 3.933 154 HG11 VAL 26 HG11 VAL 26 -2.537 -4.729 1.930 155 HG12 VAL 26 HG12 VAL 26 -1.210 -5.120 3.027 156 HG13 VAL 26 HG13 VAL 26 -0.916 -4.109 1.611 157 HG21 VAL 26 HG21 VAL 26 -0.298 -3.452 4.542 158 HG22 VAL 26 HG22 VAL 26 -0.973 -1.824 4.616 159 HG23 VAL 26 HG23 VAL 26 0.036 -2.298 3.252 160 H CYS 27 H CYS 27 -1.026 0.109 2.501 161 HA CYS 27 HA CYS 27 -0.242 -0.065 -0.249 162 HB2 CYS 27 HB2 CYS 27 0.695 1.830 1.821 163 HB3 CYS 27 HB3 CYS 27 0.936 1.930 0.119 164 H THR 28 H THR 28 1.604 -0.417 -0.844 165 HA THR 28 HA THR 28 3.674 -1.341 0.964 166 HB THR 28 HB THR 28 3.904 -3.361 -0.645 167 HG1 THR 28 HG1 THR 28 1.125 -2.876 -0.856 168 HG21 THR 28 HG21 THR 28 3.372 -3.589 1.705 169 HG22 THR 28 HG22 THR 28 2.410 -4.724 0.756 170 HG23 THR 28 HG23 THR 28 1.670 -3.243 1.388 171 H ARG 29 H ARG 29 5.693 -1.723 -0.222 172 HA ARG 29 HA ARG 29 6.043 0.406 -2.114 173 HB2 ARG 29 HB2 ARG 29 7.583 -0.401 -0.125 174 HB3 ARG 29 HB3 ARG 29 8.234 -1.495 -1.319 175 HG2 ARG 29 HG2 ARG 29 9.657 0.258 -1.306 176 HG3 ARG 29 HG3 ARG 29 8.639 0.538 -2.719 177 HD2 ARG 29 HD2 ARG 29 7.429 2.221 -1.656 178 HD3 ARG 29 HD3 ARG 29 8.014 1.748 -0.056 179 HE ARG 29 HE ARG 29 10.172 2.270 -1.592 180 HH11 ARG 29 HH11 ARG 29 7.481 4.127 -0.195 181 HH12 ARG 29 HH12 ARG 29 8.351 5.592 -0.110 182 HH21 ARG 29 HH21 ARG 29 11.363 4.337 -1.428 183 HH22 ARG 29 HH22 ARG 29 10.588 5.718 -0.816 184 H ASN 30 H ASN 30 7.273 -3.005 -2.146 185 HA ASN 30 HA ASN 30 6.402 -3.308 -4.870 186 HB2 ASN 30 HB2 ASN 30 8.367 -4.769 -5.011 187 HB3 ASN 30 HB3 ASN 30 8.843 -3.068 -4.886 188 HD21 ASN 30 HD21 ASN 30 9.841 -2.436 -2.887 189 HD22 ASN 30 HD22 ASN 30 10.543 -3.605 -1.837 Start of MODEL 20 1 H1 GLY 1 H GLY 1 5.124 -3.239 -2.515 2 HA2 GLY 1 HA2 GLY 1 3.700 -5.019 -2.024 3 HA3 GLY 1 HA3 GLY 1 4.923 -6.150 -2.666 4 H LEU 2 H LEU 2 6.247 -3.647 -0.934 5 HA LEU 2 HA LEU 2 6.745 -5.425 1.347 6 HB2 LEU 2 HB2 LEU 2 8.693 -4.601 0.023 7 HB3 LEU 2 HB3 LEU 2 8.239 -2.966 0.457 8 HG LEU 2 HG LEU 2 8.660 -3.489 2.825 9 HD11 LEU 2 HD11 LEU 2 8.274 -5.885 2.799 10 HD12 LEU 2 HD12 LEU 2 9.886 -5.528 3.412 11 HD13 LEU 2 HD13 LEU 2 9.682 -6.118 1.763 12 HD21 LEU 2 HD21 LEU 2 10.389 -2.441 1.474 13 HD22 LEU 2 HD22 LEU 2 10.963 -4.027 0.959 14 HD23 LEU 2 HD23 LEU 2 11.106 -3.544 2.650 15 HA PRO 3 HA PRO 3 4.074 -2.423 3.395 16 HB2 PRO 3 HB2 PRO 3 4.246 -4.036 5.776 17 HB3 PRO 3 HB3 PRO 3 2.852 -3.766 4.725 18 HG2 PRO 3 HG2 PRO 3 4.170 -6.172 4.926 19 HG3 PRO 3 HG3 PRO 3 3.252 -5.663 3.501 20 HD2 PRO 3 HD2 PRO 3 6.203 -5.651 3.964 21 HD3 PRO 3 HD3 PRO 3 5.275 -6.001 2.486 22 H VAL 4 H VAL 4 5.939 -1.031 3.324 23 HA VAL 4 HA VAL 4 6.972 -0.596 6.047 24 HB VAL 4 HB VAL 4 9.089 0.340 5.056 25 HG11 VAL 4 HG11 VAL 4 10.132 -1.864 4.612 26 HG12 VAL 4 HG12 VAL 4 8.512 -2.582 4.609 27 HG13 VAL 4 HG13 VAL 4 9.139 -1.826 6.066 28 HG21 VAL 4 HG21 VAL 4 9.712 -0.337 2.770 29 HG22 VAL 4 HG22 VAL 4 8.303 0.724 2.774 30 HG23 VAL 4 HG23 VAL 4 8.099 -1.010 2.539 31 H CYS 5 H CYS 5 4.858 0.548 4.037 32 HA CYS 5 HA CYS 5 5.771 3.267 3.948 33 HB2 CYS 5 HB2 CYS 5 3.262 2.013 2.837 34 HB3 CYS 5 HB3 CYS 5 3.813 3.656 2.551 35 H GLY 6 H GLY 6 3.587 1.172 5.461 36 HA2 GLY 6 HA2 GLY 6 2.621 1.339 7.505 37 HA3 GLY 6 HA3 GLY 6 3.174 3.014 7.587 38 H GLU 7 H GLU 7 1.751 2.999 4.824 39 HA GLU 7 HA GLU 7 -0.766 3.798 6.107 40 HB2 GLU 7 HB2 GLU 7 -1.274 5.355 4.362 41 HB3 GLU 7 HB3 GLU 7 0.399 5.603 4.836 42 HG2 GLU 7 HG2 GLU 7 1.154 4.416 2.913 43 HG3 GLU 7 HG3 GLU 7 -0.488 4.037 2.453 44 H THR 8 H THR 8 -2.630 3.817 4.509 45 HA THR 8 HA THR 8 -2.907 1.113 3.443 46 HB THR 8 HB THR 8 -5.285 1.323 4.342 47 HG1 THR 8 HG1 THR 8 -5.103 2.676 6.409 48 HG21 THR 8 HG21 THR 8 -3.010 1.091 6.320 49 HG22 THR 8 HG22 THR 8 -3.657 -0.216 5.321 50 HG23 THR 8 HG23 THR 8 -4.658 0.516 6.576 51 H CYS 9 H CYS 9 -4.533 0.963 1.803 52 HA CYS 9 HA CYS 9 -5.353 3.507 0.714 53 HB2 CYS 9 HB2 CYS 9 -5.338 2.262 -1.505 54 HB3 CYS 9 HB3 CYS 9 -3.767 2.699 -0.870 55 H VAL 10 H VAL 10 -7.282 3.354 1.887 56 HA VAL 10 HA VAL 10 -8.883 0.995 1.805 57 HB VAL 10 HB VAL 10 -9.762 3.817 2.353 58 HG11 VAL 10 HG11 VAL 10 -11.579 2.780 3.690 59 HG12 VAL 10 HG12 VAL 10 -11.012 1.191 3.182 60 HG13 VAL 10 HG13 VAL 10 -11.649 2.321 1.989 61 HG21 VAL 10 HG21 VAL 10 -9.433 3.317 4.756 62 HG22 VAL 10 HG22 VAL 10 -7.928 3.259 3.837 63 HG23 VAL 10 HG23 VAL 10 -8.733 1.763 4.309 64 H GLY 11 H GLY 11 -8.639 3.900 -0.062 65 HA2 GLY 11 HA2 GLY 11 -10.796 3.042 -1.812 66 HA3 GLY 11 HA3 GLY 11 -9.945 4.579 -1.905 67 H GLY 12 H GLY 12 -7.323 3.265 -1.720 68 HA2 GLY 12 HA2 GLY 12 -6.172 1.617 -3.213 69 HA3 GLY 12 HA3 GLY 12 -7.300 2.149 -4.444 70 H THR 13 H THR 13 -6.200 4.668 -2.489 71 HA THR 13 HA THR 13 -4.250 5.436 -4.525 72 HB THR 13 HB THR 13 -6.068 7.301 -3.088 73 HG1 THR 13 HG1 THR 13 -6.330 6.087 -5.694 74 HG21 THR 13 HG21 THR 13 -5.433 8.870 -4.916 75 HG22 THR 13 HG22 THR 13 -4.359 7.630 -5.565 76 HG23 THR 13 HG23 THR 13 -4.046 8.322 -3.975 77 H CYS 14 H CYS 14 -2.425 5.483 -3.559 78 HA CYS 14 HA CYS 14 -2.189 5.936 -0.684 79 HB2 CYS 14 HB2 CYS 14 -0.107 5.001 -2.654 80 HB3 CYS 14 HB3 CYS 14 0.020 4.977 -0.895 81 H ASN 15 H ASN 15 -0.739 7.408 0.175 82 HA ASN 15 HA ASN 15 -0.393 9.827 -1.408 83 HB2 ASN 15 HB2 ASN 15 -1.395 10.027 0.790 84 HB3 ASN 15 HB3 ASN 15 -0.005 9.240 1.523 85 HD21 ASN 15 HD21 ASN 15 0.614 10.851 2.793 86 HD22 ASN 15 HD22 ASN 15 1.191 12.392 2.286 87 H THR 16 H THR 16 1.589 7.780 0.749 88 HA THR 16 HA THR 16 3.993 9.065 0.551 89 HB THR 16 HB THR 16 3.618 6.073 0.802 90 HG1 THR 16 HG1 THR 16 2.478 7.143 2.391 91 HG21 THR 16 HG21 THR 16 5.909 7.865 1.655 92 HG22 THR 16 HG22 THR 16 5.948 6.703 0.333 93 HG23 THR 16 HG23 THR 16 5.772 6.139 1.993 94 HA PRO 17 HA PRO 17 5.159 8.670 -3.776 95 HB2 PRO 17 HB2 PRO 17 7.749 9.501 -2.596 96 HB3 PRO 17 HB3 PRO 17 6.867 10.202 -3.953 97 HG2 PRO 17 HG2 PRO 17 6.929 11.443 -1.608 98 HG3 PRO 17 HG3 PRO 17 5.441 11.402 -2.569 99 HD2 PRO 17 HD2 PRO 17 6.172 9.817 -0.150 100 HD3 PRO 17 HD3 PRO 17 4.615 10.537 -0.623 101 H GLY 18 H GLY 18 5.662 6.771 -4.593 102 HA2 GLY 18 HA2 GLY 18 7.279 5.161 -5.128 103 HA3 GLY 18 HA3 GLY 18 7.994 5.346 -3.525 104 H CYS 19 H CYS 19 4.939 5.338 -2.761 105 HA CYS 19 HA CYS 19 4.892 2.429 -2.554 106 HB2 CYS 19 HB2 CYS 19 3.211 4.393 -1.026 107 HB3 CYS 19 HB3 CYS 19 3.297 2.672 -0.779 108 H THR 20 H THR 20 2.878 1.387 -2.794 109 HA THR 20 HA THR 20 1.082 2.637 -4.692 110 HB THR 20 HB THR 20 1.342 0.352 -5.896 111 HG1 THR 20 HG1 THR 20 3.817 0.594 -4.520 112 HG21 THR 20 HG21 THR 20 3.455 2.506 -6.149 113 HG22 THR 20 HG22 THR 20 1.896 2.484 -6.975 114 HG23 THR 20 HG23 THR 20 3.120 1.281 -7.370 115 H CYS 21 H CYS 21 -0.929 1.469 -4.784 116 HA CYS 21 HA CYS 21 -1.485 -0.124 -2.440 117 HB2 CYS 21 HB2 CYS 21 -3.094 1.641 -3.365 118 HB3 CYS 21 HB3 CYS 21 -3.351 0.569 -4.738 119 H SER 22 H SER 22 -0.066 -1.757 -2.983 120 HA SER 22 HA SER 22 -0.468 -3.252 -5.426 121 HB2 SER 22 HB2 SER 22 1.824 -2.768 -4.562 122 HB3 SER 22 HB3 SER 22 1.482 -3.781 -3.166 123 HG SER 22 HG SER 22 2.285 -4.450 -5.636 124 H TRP 23 H TRP 23 -1.271 -3.509 -2.054 125 HA TRP 23 HA TRP 23 -2.806 -5.876 -2.697 126 HB2 TRP 23 HB2 TRP 23 -0.791 -6.696 -1.516 127 HB3 TRP 23 HB3 TRP 23 -1.091 -5.558 -0.209 128 HD1 TRP 23 HD1 TRP 23 -3.145 -6.144 1.466 129 HE1 TRP 23 HE1 TRP 23 -4.297 -8.372 2.030 130 HE3 TRP 23 HE3 TRP 23 -1.488 -8.936 -2.466 131 HZ2 TRP 23 HZ2 TRP 23 -4.468 -10.975 0.965 132 HZ3 TRP 23 HZ3 TRP 23 -2.189 -11.296 -2.609 133 HH2 TRP 23 HH2 TRP 23 -3.647 -12.281 -0.927 134 H TRP 24 H TRP 24 -4.515 -4.474 -2.841 135 HA TRP 24 HA TRP 24 -5.222 -2.508 -1.004 136 HB2 TRP 24 HB2 TRP 24 -6.186 -2.716 -3.272 137 HB3 TRP 24 HB3 TRP 24 -7.016 -4.187 -2.789 138 HD1 TRP 24 HD1 TRP 24 -7.008 -0.422 -2.064 139 HE1 TRP 24 HE1 TRP 24 -9.395 0.240 -1.235 140 HE3 TRP 24 HE3 TRP 24 -9.156 -5.042 -1.926 141 HZ2 TRP 24 HZ2 TRP 24 -11.817 -1.031 -0.661 142 HZ3 TRP 24 HZ3 TRP 24 -11.502 -5.233 -1.244 143 HH2 TRP 24 HH2 TRP 24 -12.801 -3.265 -0.626 144 HA PRO 25 HA PRO 25 -6.571 -1.576 0.215 145 HB2 PRO 25 HB2 PRO 25 -7.407 -1.120 2.798 146 HB3 PRO 25 HB3 PRO 25 -8.473 -1.462 1.434 147 HG2 PRO 25 HG2 PRO 25 -8.018 -3.106 3.730 148 HG3 PRO 25 HG3 PRO 25 -9.002 -3.483 2.309 149 HD2 PRO 25 HD2 PRO 25 -6.192 -4.249 2.930 150 HD3 PRO 25 HD3 PRO 25 -7.428 -5.134 2.010 151 H VAL 26 H VAL 26 -4.015 -2.977 1.012 152 HA VAL 26 HA VAL 26 -2.985 -1.025 2.958 153 HB VAL 26 HB VAL 26 -1.850 -3.753 2.235 154 HG11 VAL 26 HG11 VAL 26 -0.092 -2.184 2.870 155 HG12 VAL 26 HG12 VAL 26 -0.294 -3.412 4.112 156 HG13 VAL 26 HG13 VAL 26 -0.951 -1.794 4.356 157 HG21 VAL 26 HG21 VAL 26 -3.261 -2.871 4.752 158 HG22 VAL 26 HG22 VAL 26 -2.499 -4.443 4.499 159 HG23 VAL 26 HG23 VAL 26 -3.901 -3.976 3.534 160 H CYS 27 H CYS 27 -1.303 0.336 2.247 161 HA CYS 27 HA CYS 27 -0.502 -0.015 -0.502 162 HB2 CYS 27 HB2 CYS 27 0.463 2.000 1.479 163 HB3 CYS 27 HB3 CYS 27 0.691 2.001 -0.232 164 H THR 28 H THR 28 1.547 -0.328 -0.972 165 HA THR 28 HA THR 28 3.396 -1.050 1.126 166 HB THR 28 HB THR 28 4.029 -3.126 -0.255 167 HG1 THR 28 HG1 THR 28 1.837 -3.904 -1.170 168 HG21 THR 28 HG21 THR 28 1.379 -3.134 1.187 169 HG22 THR 28 HG22 THR 28 2.975 -3.277 1.928 170 HG23 THR 28 HG23 THR 28 2.390 -4.549 0.859 171 H ARG 29 H ARG 29 5.542 -1.702 -0.120 172 HA ARG 29 HA ARG 29 6.005 0.638 -1.705 173 HB2 ARG 29 HB2 ARG 29 7.530 -0.313 0.179 174 HB3 ARG 29 HB3 ARG 29 8.105 -1.419 -1.063 175 HG2 ARG 29 HG2 ARG 29 9.574 0.324 -0.897 176 HG3 ARG 29 HG3 ARG 29 8.681 0.490 -2.414 177 HD2 ARG 29 HD2 ARG 29 7.243 2.152 -1.417 178 HD3 ARG 29 HD3 ARG 29 8.060 1.958 0.131 179 HE ARG 29 HE ARG 29 9.962 2.333 -1.725 180 HH11 ARG 29 HH11 ARG 29 7.373 4.276 -0.263 181 HH12 ARG 29 HH12 ARG 29 8.060 5.785 -0.673 182 HH21 ARG 29 HH21 ARG 29 10.942 4.480 -2.225 183 HH22 ARG 29 HH22 ARG 29 10.151 5.908 -1.755 184 H ASN 30 H ASN 30 7.306 -2.671 -2.210 185 HA ASN 30 HA ASN 30 6.504 -2.596 -4.987 186 HB2 ASN 30 HB2 ASN 30 8.429 -4.108 -5.206 187 HB3 ASN 30 HB3 ASN 30 8.957 -2.502 -4.689 188 HD21 ASN 30 HD21 ASN 30 8.693 -5.830 -3.935 189 HD22 ASN 30 HD22 ASN 30 9.581 -5.841 -2.464
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