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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
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9066 |
1nb1 ![]() ![]() |
cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H CYS 1 H CYS 1 2.917 2.265 -5.412 2 HA CYS 1 HA CYS 1 5.362 0.675 -5.444 3 1HB CYS 1 2HB CYS 1 2.617 -0.177 -4.484 4 2HB CYS 1 1HB CYS 1 4.170 -0.928 -4.094 5 H GLY 2 H GLY 2 2.476 1.198 -7.222 6 1HA GLY 2 2HA GLY 2 1.696 0.284 -9.191 7 2HA GLY 2 1HA GLY 2 3.268 -0.500 -9.360 8 H GLU 3 H GLU 3 1.292 -0.813 -6.567 9 HA GLU 3 HA GLU 3 0.604 -3.575 -7.267 10 1HB GLU 3 2HB GLU 3 2.581 -3.391 -5.727 11 2HB GLU 3 1HB GLU 3 1.526 -2.608 -4.558 12 1HG GLU 3 2HG GLU 3 0.134 -4.598 -4.479 13 2HG GLU 3 1HG GLU 3 1.189 -5.366 -5.649 14 H THR 4 H THR 4 -1.279 -4.378 -6.289 15 HA THR 4 HA THR 4 -3.052 -2.309 -5.196 16 HB THR 4 HB THR 4 -4.929 -3.836 -5.943 17 HG1 THR 4 HG1 THR 4 -3.236 -4.878 -7.910 18 1HG2 THR 4 1HG2 THR 4 -4.139 -3.186 -8.529 19 2HG2 THR 4 2HG2 THR 4 -3.304 -2.010 -7.514 20 3HG2 THR 4 3HG2 THR 4 -5.059 -2.164 -7.422 21 H CYS 5 H CYS 5 -4.272 -2.799 -3.385 22 HA CYS 5 HA CYS 5 -3.599 -5.367 -2.124 23 1HB CYS 5 2HB CYS 5 -3.701 -4.373 0.067 24 2HB CYS 5 1HB CYS 5 -2.553 -3.489 -0.914 25 H VAL 6 H VAL 6 -5.567 -5.320 -3.810 26 HA VAL 6 HA VAL 6 -8.124 -4.639 -2.929 27 HB VAL 6 HB VAL 6 -7.512 -7.094 -4.579 28 1HG1 VAL 6 1HG1 VAL 6 -9.851 -5.191 -4.527 29 2HG1 VAL 6 2HG1 VAL 6 -9.831 -6.847 -3.917 30 3HG1 VAL 6 3HG1 VAL 6 -9.662 -6.543 -5.646 31 1HG2 VAL 6 1HG2 VAL 6 -7.221 -5.827 -6.503 32 2HG2 VAL 6 2HG2 VAL 6 -6.324 -4.907 -5.295 33 3HG2 VAL 6 3HG2 VAL 6 -7.937 -4.384 -5.782 34 H GLY 7 H GLY 7 -6.043 -7.336 -2.179 35 1HA GLY 7 2HA GLY 7 -8.136 -8.609 -0.569 36 2HA GLY 7 1HA GLY 7 -6.583 -9.319 -0.990 37 H GLY 8 H GLY 8 -6.585 -6.035 0.064 38 1HA GLY 8 2HA GLY 8 -5.802 -5.006 1.951 39 2HA GLY 8 1HA GLY 8 -6.455 -6.367 2.850 40 H THR 9 H THR 9 -3.906 -6.426 0.398 41 HA THR 9 HA THR 9 -1.890 -6.853 2.454 42 HB THR 9 HB THR 9 -1.280 -8.900 0.716 43 HG1 THR 9 HG1 THR 9 -4.079 -9.050 1.273 44 1HG2 THR 9 1HG2 THR 9 -2.416 -10.308 2.651 45 2HG2 THR 9 2HG2 THR 9 -2.493 -8.728 3.431 46 3HG2 THR 9 3HG2 THR 9 -0.937 -9.388 2.930 47 H CYS 10 H CYS 10 0.195 -6.429 1.782 48 HA CYS 10 HA CYS 10 0.606 -5.690 -1.024 49 1HB CYS 10 2HB CYS 10 1.461 -4.024 1.352 50 2HB CYS 10 1HB CYS 10 1.914 -3.712 -0.316 51 H ASN 11 H ASN 11 2.435 -6.408 -1.838 52 HA ASN 11 HA ASN 11 4.177 -8.023 -0.170 53 1HB ASN 11 2HB ASN 11 4.100 -7.535 -3.156 54 2HB ASN 11 1HB ASN 11 5.228 -8.628 -2.359 55 1HD2 ASN 11 1HD2 ASN 11 2.035 -8.148 -3.496 56 2HD2 ASN 11 2HD2 ASN 11 1.436 -9.736 -3.134 57 H THR 12 H THR 12 4.294 -5.037 -2.046 58 HA THR 12 HA THR 12 7.076 -4.645 -1.976 59 HB THR 12 HB THR 12 5.148 -2.355 -1.837 60 HG1 THR 12 HG1 THR 12 4.307 -3.774 -3.433 61 1HG2 THR 12 1HG2 THR 12 7.130 -2.042 -3.813 62 2HG2 THR 12 2HG2 THR 12 7.941 -2.720 -2.401 63 3HG2 THR 12 3HG2 THR 12 7.021 -1.221 -2.256 64 HA PRO 13 HA PRO 13 7.454 -3.998 2.436 65 1HB PRO 13 2HB PRO 13 10.213 -3.235 1.750 66 2HB PRO 13 1HB PRO 13 9.625 -4.515 2.811 67 1HG PRO 13 2HG PRO 13 10.727 -5.063 0.424 68 2HG PRO 13 1HG PRO 13 9.395 -6.030 1.084 69 1HD PRO 13 2HD PRO 13 9.327 -3.883 -1.004 70 2HD PRO 13 1HD PRO 13 8.453 -5.430 -0.949 71 H GLY 14 H GLY 14 6.565 -2.218 3.182 72 1HA GLY 14 2HA GLY 14 7.040 -0.001 4.062 73 2HA GLY 14 1HA GLY 14 7.843 0.360 2.540 74 H CYS 15 H CYS 15 5.398 -1.341 1.473 75 HA CYS 15 HA CYS 15 3.825 1.049 0.942 76 1HB CYS 15 2HB CYS 15 3.737 -1.725 -0.243 77 2HB CYS 15 1HB CYS 15 2.647 -0.420 -0.719 78 H THR 16 H THR 16 2.099 1.566 1.985 79 HA THR 16 HA THR 16 0.828 -0.306 3.809 80 HB THR 16 HB THR 16 -0.553 1.855 4.306 81 HG1 THR 16 HG1 THR 16 0.230 3.020 2.459 82 1HG2 THR 16 1HG2 THR 16 1.122 2.601 5.882 83 2HG2 THR 16 2HG2 THR 16 2.391 1.784 4.969 84 3HG2 THR 16 3HG2 THR 16 1.151 0.839 5.793 85 H CYS 17 H CYS 17 -1.340 -0.931 3.654 86 HA CYS 17 HA CYS 17 -2.385 -0.954 1.000 87 1HB CYS 17 2HB CYS 17 -2.733 -2.883 2.454 88 2HB CYS 17 1HB CYS 17 -3.663 -1.889 3.573 89 H SER 18 H SER 18 -3.879 0.207 0.110 90 HA SER 18 HA SER 18 -5.647 1.937 1.623 91 1HB SER 18 2HB SER 18 -3.844 3.019 -0.571 92 2HB SER 18 1HB SER 18 -5.042 3.932 0.348 93 HG SER 18 HG SER 18 -3.497 2.820 2.135 94 H TRP 19 H TRP 19 -6.760 0.020 0.798 95 HA TRP 19 HA TRP 19 -7.201 -1.049 -1.508 96 1HB TRP 19 2HB TRP 19 -8.641 -1.229 0.629 97 2HB TRP 19 1HB TRP 19 -9.682 -0.038 -0.153 98 HD1 TRP 19 HD1 TRP 19 -8.732 -3.695 -0.259 99 HE1 TRP 19 HE1 TRP 19 -10.138 -4.905 -2.040 100 HE3 TRP 19 HE3 TRP 19 -10.921 0.367 -2.447 101 HZ2 TRP 19 HZ2 TRP 19 -11.941 -4.216 -4.112 102 HZ3 TRP 19 HZ3 TRP 19 -12.453 0.011 -4.331 103 HH2 TRP 19 HH2 TRP 19 -12.944 -2.225 -5.147 104 HA PRO 20 HA PRO 20 -7.724 -1.789 -2.977 105 1HB PRO 20 2HB PRO 20 -7.917 -2.109 -5.604 106 2HB PRO 20 1HB PRO 20 -9.368 -1.874 -4.621 107 1HG PRO 20 2HG PRO 20 -8.013 0.010 -6.470 108 2HG PRO 20 1HG PRO 20 -9.722 -0.089 -6.018 109 1HD PRO 20 2HD PRO 20 -7.715 1.656 -4.945 110 2HD PRO 20 1HD PRO 20 -9.418 1.529 -4.463 111 H VAL 21 H VAL 21 -5.771 0.639 -3.159 112 HA VAL 21 HA VAL 21 -3.698 -0.812 -4.664 113 HB VAL 21 HB VAL 21 -2.808 1.600 -5.146 114 1HG1 VAL 21 1HG1 VAL 21 -5.190 0.403 -6.570 115 2HG1 VAL 21 2HG1 VAL 21 -3.493 0.019 -6.867 116 3HG1 VAL 21 3HG1 VAL 21 -4.112 1.628 -7.242 117 1HG2 VAL 21 1HG2 VAL 21 -5.737 2.029 -4.578 118 2HG2 VAL 21 2HG2 VAL 21 -4.756 3.148 -5.531 119 3HG2 VAL 21 3HG2 VAL 21 -4.364 2.853 -3.836 120 H CYS 22 H CYS 22 -1.580 -0.678 -3.978 121 HA CYS 22 HA CYS 22 -1.252 -0.118 -1.159 122 1HB CYS 22 2HB CYS 22 0.652 -1.253 -3.231 123 2HB CYS 22 1HB CYS 22 1.039 -1.070 -1.525 124 H THR 23 H THR 23 -0.544 1.731 -0.363 125 HA THR 23 HA THR 23 0.643 3.708 -2.166 126 HB THR 23 HB THR 23 0.268 5.284 -0.226 127 HG1 THR 23 HG1 THR 23 -1.652 3.761 0.955 128 1HG2 THR 23 1HG2 THR 23 -2.188 3.866 -1.274 129 2HG2 THR 23 2HG2 THR 23 -1.290 5.122 -2.129 130 3HG2 THR 23 3HG2 THR 23 -2.123 5.504 -0.622 131 H ARG 24 H ARG 24 2.530 4.873 -1.559 132 HA ARG 24 HA ARG 24 4.177 3.540 0.479 133 1HB ARG 24 2HB ARG 24 4.854 2.939 -1.860 134 2HB ARG 24 1HB ARG 24 5.173 4.642 -2.155 135 1HG ARG 24 2HG ARG 24 6.872 4.611 -0.380 136 2HG ARG 24 1HG ARG 24 6.574 2.885 -0.150 137 1HD ARG 24 2HD ARG 24 7.530 4.195 -2.693 138 2HD ARG 24 1HD ARG 24 8.529 3.276 -1.567 139 HE ARG 24 HE ARG 24 6.506 1.565 -2.261 140 1HH1 ARG 24 1HH1 ARG 24 8.911 3.391 -4.022 141 2HH1 ARG 24 2HH1 ARG 24 9.057 2.229 -5.297 142 1HH2 ARG 24 1HH2 ARG 24 6.703 0.010 -3.934 143 2HH2 ARG 24 2HH2 ARG 24 7.793 0.299 -5.249 144 H ASN 25 H ASN 25 4.870 4.873 1.966 145 HA ASN 25 HA ASN 25 4.991 6.750 3.218 146 1HB ASN 25 2HB ASN 25 6.701 8.350 2.486 147 2HB ASN 25 1HB ASN 25 7.213 6.684 2.284 148 1HD2 ASN 25 1HD2 ASN 25 6.733 9.689 0.795 149 2HD2 ASN 25 2HD2 ASN 25 7.139 9.222 -0.818 150 H GLY 26 H GLY 26 2.548 6.812 1.842 151 1HA GLY 26 2HA GLY 26 0.937 8.541 2.135 152 2HA GLY 26 1HA GLY 26 2.184 9.721 1.797 153 H LEU 27 H LEU 27 2.510 7.424 -0.593 154 HA LEU 27 HA LEU 27 0.306 8.341 -2.229 155 1HB LEU 27 2HB LEU 27 1.652 9.308 -4.004 156 2HB LEU 27 1HB LEU 27 1.861 10.194 -2.509 157 HG LEU 27 HG LEU 27 3.861 8.105 -3.318 158 1HD1 LEU 27 1HD1 LEU 27 3.373 10.735 -4.558 159 2HD1 LEU 27 2HD1 LEU 27 4.174 9.303 -5.206 160 3HD1 LEU 27 3HD1 LEU 27 5.044 10.385 -4.118 161 1HD2 LEU 27 1HD2 LEU 27 3.803 9.201 -1.025 162 2HD2 LEU 27 2HD2 LEU 27 4.266 10.693 -1.843 163 3HD2 LEU 27 3HD2 LEU 27 5.329 9.288 -1.904 164 HA PRO 28 HA PRO 28 0.885 4.280 -3.821 165 1HB PRO 28 2HB PRO 28 -0.627 5.090 -6.190 166 2HB PRO 28 1HB PRO 28 -1.047 3.931 -4.929 167 1HG PRO 28 2HG PRO 28 -2.294 6.318 -5.183 168 2HG PRO 28 1HG PRO 28 -2.062 5.522 -3.617 169 1HD PRO 28 2HD PRO 28 -0.536 7.789 -4.839 170 2HD PRO 28 1HD PRO 28 -1.037 7.545 -3.152 171 H VAL 29 H VAL 29 2.947 4.021 -4.426 172 HA VAL 29 HA VAL 29 3.588 4.518 -7.232 173 HB VAL 29 HB VAL 29 5.931 5.210 -6.587 174 1HG1 VAL 29 1HG1 VAL 29 3.496 6.843 -6.382 175 2HG1 VAL 29 2HG1 VAL 29 4.934 7.061 -7.380 176 3HG1 VAL 29 3HG1 VAL 29 4.948 7.565 -5.690 177 1HG2 VAL 29 1HG2 VAL 29 4.878 6.129 -3.961 178 2HG2 VAL 29 2HG2 VAL 29 6.532 5.765 -4.451 179 3HG2 VAL 29 3HG2 VAL 29 5.402 4.453 -4.117 Start of MODEL 2 1 H CYS 1 H CYS 1 3.079 2.314 -5.656 2 HA CYS 1 HA CYS 1 5.366 0.468 -5.487 3 1HB CYS 1 2HB CYS 1 2.561 -0.156 -4.542 4 2HB CYS 1 1HB CYS 1 4.066 -0.976 -4.112 5 H GLY 2 H GLY 2 2.390 1.272 -7.092 6 1HA GLY 2 2HA GLY 2 1.435 0.487 -9.039 7 2HA GLY 2 1HA GLY 2 2.986 -0.280 -9.387 8 H GLU 3 H GLU 3 1.187 -0.784 -6.500 9 HA GLU 3 HA GLU 3 0.543 -3.532 -7.305 10 1HB GLU 3 2HB GLU 3 2.513 -3.210 -5.714 11 2HB GLU 3 1HB GLU 3 1.339 -2.642 -4.536 12 1HG GLU 3 2HG GLU 3 0.147 -4.831 -4.885 13 2HG GLU 3 1HG GLU 3 1.583 -5.356 -5.743 14 H THR 4 H THR 4 -1.321 -4.430 -6.304 15 HA THR 4 HA THR 4 -3.176 -2.410 -5.254 16 HB THR 4 HB THR 4 -4.991 -3.995 -5.931 17 HG1 THR 4 HG1 THR 4 -3.140 -5.693 -6.269 18 1HG2 THR 4 1HG2 THR 4 -3.360 -2.295 -7.639 19 2HG2 THR 4 2HG2 THR 4 -5.116 -2.447 -7.545 20 3HG2 THR 4 3HG2 THR 4 -4.187 -3.554 -8.556 21 H CYS 5 H CYS 5 -4.305 -2.831 -3.396 22 HA CYS 5 HA CYS 5 -3.593 -5.342 -2.042 23 1HB CYS 5 2HB CYS 5 -3.703 -4.270 0.104 24 2HB CYS 5 1HB CYS 5 -2.597 -3.378 -0.916 25 H VAL 6 H VAL 6 -5.578 -5.372 -3.739 26 HA VAL 6 HA VAL 6 -8.140 -4.719 -2.848 27 HB VAL 6 HB VAL 6 -7.513 -7.188 -4.465 28 1HG1 VAL 6 1HG1 VAL 6 -9.670 -6.666 -5.529 29 2HG1 VAL 6 2HG1 VAL 6 -9.860 -5.298 -4.431 30 3HG1 VAL 6 3HG1 VAL 6 -9.828 -6.943 -3.794 31 1HG2 VAL 6 1HG2 VAL 6 -6.681 -4.591 -5.092 32 2HG2 VAL 6 2HG2 VAL 6 -8.112 -4.883 -6.080 33 3HG2 VAL 6 3HG2 VAL 6 -6.738 -5.986 -6.169 34 H GLY 7 H GLY 7 -6.020 -7.391 -2.094 35 1HA GLY 7 2HA GLY 7 -8.079 -8.689 -0.468 36 2HA GLY 7 1HA GLY 7 -6.498 -9.353 -0.860 37 H GLY 8 H GLY 8 -6.536 -6.064 0.119 38 1HA GLY 8 2HA GLY 8 -5.846 -4.990 2.018 39 2HA GLY 8 1HA GLY 8 -6.460 -6.365 2.923 40 H THR 9 H THR 9 -3.918 -6.478 0.480 41 HA THR 9 HA THR 9 -1.899 -6.771 2.576 42 HB THR 9 HB THR 9 -1.648 -8.743 0.405 43 HG1 THR 9 HG1 THR 9 -3.910 -8.646 1.971 44 1HG2 THR 9 1HG2 THR 9 -1.312 -10.053 2.771 45 2HG2 THR 9 2HG2 THR 9 -0.879 -8.401 3.212 46 3HG2 THR 9 3HG2 THR 9 -0.032 -9.213 1.893 47 H CYS 10 H CYS 10 0.246 -6.544 1.789 48 HA CYS 10 HA CYS 10 0.561 -5.601 -0.953 49 1HB CYS 10 2HB CYS 10 1.454 -4.042 1.478 50 2HB CYS 10 1HB CYS 10 1.956 -3.687 -0.166 51 H ASN 11 H ASN 11 2.381 -6.249 -1.856 52 HA ASN 11 HA ASN 11 4.134 -7.967 -0.290 53 1HB ASN 11 2HB ASN 11 3.162 -8.502 -2.631 54 2HB ASN 11 1HB ASN 11 4.418 -7.428 -3.237 55 1HD2 ASN 11 1HD2 ASN 11 5.499 -8.890 -0.450 56 2HD2 ASN 11 2HD2 ASN 11 6.369 -10.200 -1.156 57 H THR 12 H THR 12 4.290 -4.992 -2.197 58 HA THR 12 HA THR 12 7.073 -4.619 -2.116 59 HB THR 12 HB THR 12 5.136 -2.327 -1.996 60 HG1 THR 12 HG1 THR 12 4.417 -3.902 -3.601 61 1HG2 THR 12 1HG2 THR 12 7.846 -2.373 -2.172 62 2HG2 THR 12 2HG2 THR 12 6.832 -1.078 -2.810 63 3HG2 THR 12 3HG2 THR 12 7.401 -2.360 -3.879 64 HA PRO 13 HA PRO 13 7.489 -3.950 2.286 65 1HB PRO 13 2HB PRO 13 10.225 -3.143 1.569 66 2HB PRO 13 1HB PRO 13 9.670 -4.430 2.639 67 1HG PRO 13 2HG PRO 13 10.752 -4.967 0.240 68 2HG PRO 13 1HG PRO 13 9.438 -5.950 0.914 69 1HD PRO 13 2HD PRO 13 9.323 -3.806 -1.174 70 2HD PRO 13 1HD PRO 13 8.468 -5.363 -1.108 71 H GLY 14 H GLY 14 6.570 -2.188 3.036 72 1HA GLY 14 2HA GLY 14 7.035 0.025 3.942 73 2HA GLY 14 1HA GLY 14 7.816 0.411 2.415 74 H CYS 15 H CYS 15 5.337 -1.339 1.438 75 HA CYS 15 HA CYS 15 3.754 1.043 0.899 76 1HB CYS 15 2HB CYS 15 3.627 -1.743 -0.255 77 2HB CYS 15 1HB CYS 15 2.568 -0.419 -0.743 78 H THR 16 H THR 16 2.027 1.557 1.928 79 HA THR 16 HA THR 16 0.763 -0.298 3.783 80 HB THR 16 HB THR 16 -0.597 1.870 4.287 81 HG1 THR 16 HG1 THR 16 0.190 3.008 2.409 82 1HG2 THR 16 1HG2 THR 16 1.757 2.742 5.376 83 2HG2 THR 16 2HG2 THR 16 2.095 1.037 5.075 84 3HG2 THR 16 3HG2 THR 16 0.715 1.499 6.070 85 H CYS 17 H CYS 17 -1.420 -0.895 3.625 86 HA CYS 17 HA CYS 17 -2.449 -0.930 0.970 87 1HB CYS 17 2HB CYS 17 -2.848 -2.826 2.454 88 2HB CYS 17 1HB CYS 17 -3.767 -1.796 3.547 89 H SER 18 H SER 18 -3.917 0.227 0.050 90 HA SER 18 HA SER 18 -5.661 2.031 1.504 91 1HB SER 18 2HB SER 18 -3.835 3.010 -0.719 92 2HB SER 18 1HB SER 18 -5.020 3.974 0.165 93 HG SER 18 HG SER 18 -3.491 2.883 1.986 94 H TRP 19 H TRP 19 -6.757 0.066 0.726 95 HA TRP 19 HA TRP 19 -7.212 -1.056 -1.547 96 1HB TRP 19 2HB TRP 19 -8.644 -1.173 0.604 97 2HB TRP 19 1HB TRP 19 -9.693 -0.017 -0.218 98 HD1 TRP 19 HD1 TRP 19 -8.737 -3.672 -0.189 99 HE1 TRP 19 HE1 TRP 19 -10.133 -4.949 -1.931 100 HE3 TRP 19 HE3 TRP 19 -10.916 0.304 -2.537 101 HZ2 TRP 19 HZ2 TRP 19 -11.926 -4.338 -4.038 102 HZ3 TRP 19 HZ3 TRP 19 -12.439 -0.122 -4.415 103 HH2 TRP 19 HH2 TRP 19 -12.924 -2.387 -5.150 104 HA PRO 20 HA PRO 20 -7.727 -1.833 -2.999 105 1HB PRO 20 2HB PRO 20 -7.915 -2.218 -5.618 106 2HB PRO 20 1HB PRO 20 -9.368 -1.967 -4.642 107 1HG PRO 20 2HG PRO 20 -8.022 -0.120 -6.533 108 2HG PRO 20 1HG PRO 20 -9.731 -0.221 -6.083 109 1HD PRO 20 2HD PRO 20 -7.739 1.564 -5.048 110 2HD PRO 20 1HD PRO 20 -9.441 1.436 -4.565 111 H VAL 21 H VAL 21 -5.772 0.568 -3.186 112 HA VAL 21 HA VAL 21 -3.697 -0.898 -4.668 113 HB VAL 21 HB VAL 21 -2.810 1.503 -5.208 114 1HG1 VAL 21 1HG1 VAL 21 -3.470 -0.123 -6.891 115 2HG1 VAL 21 2HG1 VAL 21 -4.108 1.467 -7.312 116 3HG1 VAL 21 3HG1 VAL 21 -5.173 0.246 -6.611 117 1HG2 VAL 21 1HG2 VAL 21 -4.393 2.772 -3.931 118 2HG2 VAL 21 2HG2 VAL 21 -5.751 1.938 -4.695 119 3HG2 VAL 21 3HG2 VAL 21 -4.745 3.041 -5.640 120 H CYS 22 H CYS 22 -1.587 -0.746 -3.987 121 HA CYS 22 HA CYS 22 -1.255 -0.119 -1.181 122 1HB CYS 22 2HB CYS 22 0.608 -1.354 -3.233 123 2HB CYS 22 1HB CYS 22 1.047 -1.086 -1.549 124 H THR 23 H THR 23 -0.463 1.702 -0.407 125 HA THR 23 HA THR 23 0.788 3.616 -2.254 126 HB THR 23 HB THR 23 0.305 5.286 -0.428 127 HG1 THR 23 HG1 THR 23 -1.661 3.827 0.753 128 1HG2 THR 23 1HG2 THR 23 -2.214 5.236 -0.818 129 2HG2 THR 23 2HG2 THR 23 -1.930 3.773 -1.761 130 3HG2 THR 23 3HG2 THR 23 -1.190 5.297 -2.252 131 H ARG 24 H ARG 24 2.643 4.837 -1.496 132 HA ARG 24 HA ARG 24 4.075 3.618 0.751 133 1HB ARG 24 2HB ARG 24 4.864 2.621 -1.418 134 2HB ARG 24 1HB ARG 24 5.373 4.229 -1.913 135 1HG ARG 24 2HG ARG 24 7.151 4.262 -0.480 136 2HG ARG 24 1HG ARG 24 6.387 3.159 0.669 137 1HD ARG 24 2HD ARG 24 8.286 2.127 -0.531 138 2HD ARG 24 1HD ARG 24 6.761 1.288 -0.808 139 HE ARG 24 HE ARG 24 6.892 1.832 -3.024 140 1HH1 ARG 24 1HH1 ARG 24 9.237 3.729 -1.258 141 2HH1 ARG 24 2HH1 ARG 24 9.934 4.434 -2.677 142 1HH2 ARG 24 1HH2 ARG 24 7.790 2.764 -4.909 143 2HH2 ARG 24 2HH2 ARG 24 9.112 3.881 -4.761 144 H ASN 25 H ASN 25 4.730 5.123 2.102 145 HA ASN 25 HA ASN 25 5.259 7.116 3.034 146 1HB ASN 25 2HB ASN 25 6.145 7.890 0.244 147 2HB ASN 25 1HB ASN 25 6.523 8.773 1.718 148 1HD2 ASN 25 1HD2 ASN 25 7.890 6.936 -0.460 149 2HD2 ASN 25 2HD2 ASN 25 9.035 6.069 0.498 150 H GLY 26 H GLY 26 2.626 6.625 1.919 151 1HA GLY 26 2HA GLY 26 0.689 7.908 2.164 152 2HA GLY 26 1HA GLY 26 1.665 9.361 2.068 153 H LEU 27 H LEU 27 2.535 7.412 -0.513 154 HA LEU 27 HA LEU 27 0.335 8.270 -2.212 155 1HB LEU 27 2HB LEU 27 1.743 9.375 -3.849 156 2HB LEU 27 1HB LEU 27 1.847 10.180 -2.299 157 HG LEU 27 HG LEU 27 3.951 8.200 -3.122 158 1HD1 LEU 27 1HD1 LEU 27 4.271 11.120 -3.654 159 2HD1 LEU 27 2HD1 LEU 27 3.464 10.101 -4.846 160 3HD1 LEU 27 3HD1 LEU 27 5.122 9.747 -4.363 161 1HD2 LEU 27 1HD2 LEU 27 3.597 10.295 -1.063 162 2HD2 LEU 27 2HD2 LEU 27 5.204 10.145 -1.774 163 3HD2 LEU 27 3HD2 LEU 27 4.458 8.757 -0.982 164 HA PRO 28 HA PRO 28 1.023 4.305 -3.970 165 1HB PRO 28 2HB PRO 28 -0.060 5.382 -6.490 166 2HB PRO 28 1HB PRO 28 -0.659 4.072 -5.469 167 1HG PRO 28 2HG PRO 28 -1.913 6.442 -5.591 168 2HG PRO 28 1HG PRO 28 -1.832 5.506 -4.088 169 1HD PRO 28 2HD PRO 28 -0.236 7.897 -4.920 170 2HD PRO 28 1HD PRO 28 -0.920 7.496 -3.331 171 H VAL 29 H VAL 29 3.148 3.985 -4.226 172 HA VAL 29 HA VAL 29 4.294 4.614 -6.849 173 HB VAL 29 HB VAL 29 6.028 4.841 -4.390 174 1HG1 VAL 29 1HG1 VAL 29 6.281 5.640 -7.271 175 2HG1 VAL 29 2HG1 VAL 29 7.329 4.592 -6.316 176 3HG1 VAL 29 3HG1 VAL 29 7.319 6.331 -6.023 177 1HG2 VAL 29 1HG2 VAL 29 3.989 6.698 -5.128 178 2HG2 VAL 29 2HG2 VAL 29 5.569 7.435 -5.393 179 3HG2 VAL 29 3HG2 VAL 29 5.152 6.792 -3.806 Start of MODEL 3 1 H CYS 1 H CYS 1 2.876 2.259 -5.523 2 HA CYS 1 HA CYS 1 5.298 0.612 -5.308 3 1HB CYS 1 2HB CYS 1 2.494 -0.140 -4.445 4 2HB CYS 1 1HB CYS 1 4.004 -0.947 -4.013 5 H GLY 2 H GLY 2 2.397 1.117 -7.133 6 1HA GLY 2 2HA GLY 2 1.672 0.198 -9.120 7 2HA GLY 2 1HA GLY 2 3.256 -0.568 -9.262 8 H GLU 3 H GLU 3 1.222 -0.888 -6.507 9 HA GLU 3 HA GLU 3 0.573 -3.662 -7.199 10 1HB GLU 3 2HB GLU 3 2.518 -3.493 -5.640 11 2HB GLU 3 1HB GLU 3 1.480 -2.649 -4.500 12 1HG GLU 3 2HG GLU 3 0.023 -4.635 -4.425 13 2HG GLU 3 1HG GLU 3 1.169 -5.460 -5.468 14 H THR 4 H THR 4 -1.324 -4.461 -6.252 15 HA THR 4 HA THR 4 -3.130 -2.389 -5.212 16 HB THR 4 HB THR 4 -4.985 -3.907 -5.944 17 HG1 THR 4 HG1 THR 4 -3.205 -5.664 -6.278 18 1HG2 THR 4 1HG2 THR 4 -5.049 -2.334 -7.533 19 2HG2 THR 4 2HG2 THR 4 -4.124 -3.441 -8.549 20 3HG2 THR 4 3HG2 THR 4 -3.289 -2.218 -7.590 21 H CYS 5 H CYS 5 -4.301 -2.814 -3.378 22 HA CYS 5 HA CYS 5 -3.664 -5.366 -2.065 23 1HB CYS 5 2HB CYS 5 -3.794 -4.327 0.098 24 2HB CYS 5 1HB CYS 5 -2.653 -3.439 -0.888 25 H VAL 6 H VAL 6 -5.631 -5.306 -3.806 26 HA VAL 6 HA VAL 6 -8.192 -4.632 -2.943 27 HB VAL 6 HB VAL 6 -7.570 -7.089 -4.583 28 1HG1 VAL 6 1HG1 VAL 6 -9.709 -6.550 -5.663 29 2HG1 VAL 6 2HG1 VAL 6 -9.905 -5.182 -4.567 30 3HG1 VAL 6 3HG1 VAL 6 -9.895 -6.827 -3.931 31 1HG2 VAL 6 1HG2 VAL 6 -7.800 -4.257 -5.596 32 2HG2 VAL 6 2HG2 VAL 6 -7.523 -5.707 -6.562 33 3HG2 VAL 6 3HG2 VAL 6 -6.288 -5.150 -5.432 34 H GLY 7 H GLY 7 -6.129 -7.342 -2.168 35 1HA GLY 7 2HA GLY 7 -8.249 -8.567 -0.551 36 2HA GLY 7 1HA GLY 7 -6.734 -9.333 -1.003 37 H GLY 8 H GLY 8 -6.625 -6.055 0.087 38 1HA GLY 8 2HA GLY 8 -5.799 -5.075 1.983 39 2HA GLY 8 1HA GLY 8 -6.433 -6.455 2.866 40 H THR 9 H THR 9 -3.950 -6.456 0.344 41 HA THR 9 HA THR 9 -1.907 -7.012 2.356 42 HB THR 9 HB THR 9 -1.423 -8.836 0.254 43 HG1 THR 9 HG1 THR 9 -4.072 -9.020 1.314 44 1HG2 THR 9 1HG2 THR 9 -0.653 -9.795 2.118 45 2HG2 THR 9 2HG2 THR 9 -2.312 -10.305 2.438 46 3HG2 THR 9 3HG2 THR 9 -1.701 -8.807 3.138 47 H CYS 10 H CYS 10 0.183 -6.601 1.697 48 HA CYS 10 HA CYS 10 0.678 -5.682 -1.021 49 1HB CYS 10 2HB CYS 10 1.349 -4.009 1.408 50 2HB CYS 10 1HB CYS 10 1.834 -3.651 -0.240 51 H ASN 11 H ASN 11 2.523 -6.456 -1.709 52 HA ASN 11 HA ASN 11 4.284 -7.801 0.184 53 1HB ASN 11 2HB ASN 11 3.960 -7.913 -2.799 54 2HB ASN 11 1HB ASN 11 5.405 -8.560 -2.028 55 1HD2 ASN 11 1HD2 ASN 11 5.317 -10.635 -1.625 56 2HD2 ASN 11 2HD2 ASN 11 3.897 -11.558 -1.295 57 H THR 12 H THR 12 4.241 -5.005 -1.904 58 HA THR 12 HA THR 12 7.021 -4.571 -2.084 59 HB THR 12 HB THR 12 5.063 -2.306 -1.889 60 HG1 THR 12 HG1 THR 12 4.088 -3.755 -3.343 61 1HG2 THR 12 1HG2 THR 12 7.798 -2.576 -2.589 62 2HG2 THR 12 2HG2 THR 12 6.801 -1.123 -2.627 63 3HG2 THR 12 3HG2 THR 12 6.917 -2.150 -4.057 64 HA PRO 13 HA PRO 13 7.808 -3.720 2.214 65 1HB PRO 13 2HB PRO 13 10.366 -2.672 1.210 66 2HB PRO 13 1HB PRO 13 10.050 -3.967 2.365 67 1HG PRO 13 2HG PRO 13 10.935 -4.488 -0.114 68 2HG PRO 13 1HG PRO 13 9.790 -5.562 0.712 69 1HD PRO 13 2HD PRO 13 9.277 -3.517 -1.413 70 2HD PRO 13 1HD PRO 13 8.572 -5.136 -1.211 71 H GLY 14 H GLY 14 6.838 -2.047 3.062 72 1HA GLY 14 2HA GLY 14 7.020 0.171 3.926 73 2HA GLY 14 1HA GLY 14 7.849 0.638 2.447 74 H CYS 15 H CYS 15 5.310 -1.345 1.676 75 HA CYS 15 HA CYS 15 3.705 1.004 0.969 76 1HB CYS 15 2HB CYS 15 3.735 -1.786 -0.172 77 2HB CYS 15 1HB CYS 15 2.584 -0.539 -0.657 78 H THR 16 H THR 16 1.955 1.465 1.973 79 HA THR 16 HA THR 16 0.718 -0.446 3.797 80 HB THR 16 HB THR 16 -0.661 1.700 4.356 81 HG1 THR 16 HG1 THR 16 0.145 2.899 2.524 82 1HG2 THR 16 1HG2 THR 16 1.111 0.608 5.763 83 2HG2 THR 16 2HG2 THR 16 0.952 2.349 5.990 84 3HG2 THR 16 3HG2 THR 16 2.279 1.703 5.025 85 H CYS 17 H CYS 17 -1.510 -0.963 3.669 86 HA CYS 17 HA CYS 17 -2.518 -0.996 0.998 87 1HB CYS 17 2HB CYS 17 -2.942 -2.887 2.489 88 2HB CYS 17 1HB CYS 17 -3.871 -1.845 3.564 89 H SER 18 H SER 18 -3.966 0.188 0.073 90 HA SER 18 HA SER 18 -5.705 1.998 1.521 91 1HB SER 18 2HB SER 18 -3.827 2.981 -0.657 92 2HB SER 18 1HB SER 18 -5.030 3.947 0.200 93 HG SER 18 HG SER 18 -3.552 2.838 2.054 94 H TRP 19 H TRP 19 -6.816 0.058 0.702 95 HA TRP 19 HA TRP 19 -7.254 -1.028 -1.591 96 1HB TRP 19 2HB TRP 19 -8.718 -1.155 0.536 97 2HB TRP 19 1HB TRP 19 -9.739 0.029 -0.284 98 HD1 TRP 19 HD1 TRP 19 -8.837 -3.639 -0.293 99 HE1 TRP 19 HE1 TRP 19 -10.227 -4.872 -2.071 100 HE3 TRP 19 HE3 TRP 19 -10.922 0.400 -2.619 101 HZ2 TRP 19 HZ2 TRP 19 -11.980 -4.206 -4.194 102 HZ3 TRP 19 HZ3 TRP 19 -12.423 0.022 -4.523 103 HH2 TRP 19 HH2 TRP 19 -12.932 -2.225 -5.295 104 HA PRO 20 HA PRO 20 -7.759 -1.777 -3.062 105 1HB PRO 20 2HB PRO 20 -7.910 -2.125 -5.688 106 2HB PRO 20 1HB PRO 20 -9.375 -1.865 -4.733 107 1HG PRO 20 2HG PRO 20 -7.968 -0.012 -6.574 108 2HG PRO 20 1HG PRO 20 -9.687 -0.096 -6.158 109 1HD PRO 20 2HD PRO 20 -7.696 1.650 -5.062 110 2HD PRO 20 1HD PRO 20 -9.407 1.532 -4.609 111 H VAL 21 H VAL 21 -5.790 0.642 -3.250 112 HA VAL 21 HA VAL 21 -3.699 -0.850 -4.687 113 HB VAL 21 HB VAL 21 -2.780 1.545 -5.197 114 1HG1 VAL 21 1HG1 VAL 21 -4.051 1.543 -7.317 115 2HG1 VAL 21 2HG1 VAL 21 -5.140 0.330 -6.641 116 3HG1 VAL 21 3HG1 VAL 21 -3.440 -0.059 -6.903 117 1HG2 VAL 21 1HG2 VAL 21 -4.360 2.825 -3.933 118 2HG2 VAL 21 2HG2 VAL 21 -5.719 2.013 -4.713 119 3HG2 VAL 21 3HG2 VAL 21 -4.692 3.109 -5.642 120 H CYS 22 H CYS 22 -1.593 -0.707 -3.976 121 HA CYS 22 HA CYS 22 -1.307 -0.121 -1.157 122 1HB CYS 22 2HB CYS 22 0.620 -1.290 -3.186 123 2HB CYS 22 1HB CYS 22 0.972 -1.110 -1.471 124 H THR 23 H THR 23 -0.480 1.671 -0.326 125 HA THR 23 HA THR 23 0.747 3.634 -2.135 126 HB THR 23 HB THR 23 0.324 5.231 -0.207 127 HG1 THR 23 HG1 THR 23 -1.691 3.766 0.871 128 1HG2 THR 23 1HG2 THR 23 -1.502 4.123 -2.128 129 2HG2 THR 23 2HG2 THR 23 -1.388 5.776 -1.527 130 3HG2 THR 23 3HG2 THR 23 -2.381 4.594 -0.673 131 H ARG 24 H ARG 24 2.652 4.754 -1.489 132 HA ARG 24 HA ARG 24 4.127 3.549 0.739 133 1HB ARG 24 2HB ARG 24 4.863 2.517 -1.413 134 2HB ARG 24 1HB ARG 24 5.320 4.114 -1.983 135 1HG ARG 24 2HG ARG 24 7.166 4.218 -0.640 136 2HG ARG 24 1HG ARG 24 6.478 3.139 0.576 137 1HD ARG 24 2HD ARG 24 8.334 2.104 -0.694 138 2HD ARG 24 1HD ARG 24 6.813 1.230 -0.860 139 HE ARG 24 HE ARG 24 6.781 1.740 -3.095 140 1HH1 ARG 24 1HH1 ARG 24 9.295 3.594 -1.528 141 2HH1 ARG 24 2HH1 ARG 24 9.919 4.249 -3.003 142 1HH2 ARG 24 1HH2 ARG 24 7.582 2.611 -5.056 143 2HH2 ARG 24 2HH2 ARG 24 8.943 3.683 -5.018 144 H ASN 25 H ASN 25 5.086 4.987 1.984 145 HA ASN 25 HA ASN 25 5.516 6.945 2.978 146 1HB ASN 25 2HB ASN 25 7.016 8.487 1.867 147 2HB ASN 25 1HB ASN 25 7.486 6.833 1.521 148 1HD2 ASN 25 1HD2 ASN 25 8.026 6.446 -0.490 149 2HD2 ASN 25 2HD2 ASN 25 7.513 7.336 -1.876 150 H GLY 26 H GLY 26 2.877 6.698 1.829 151 1HA GLY 26 2HA GLY 26 1.105 8.192 2.275 152 2HA GLY 26 1HA GLY 26 2.198 9.533 2.002 153 H LEU 27 H LEU 27 2.546 7.336 -0.534 154 HA LEU 27 HA LEU 27 0.264 8.274 -2.039 155 1HB LEU 27 2HB LEU 27 1.514 9.376 -3.794 156 2HB LEU 27 1HB LEU 27 1.806 10.163 -2.255 157 HG LEU 27 HG LEU 27 3.892 8.418 -2.364 158 1HD1 LEU 27 1HD1 LEU 27 4.630 7.977 -4.441 159 2HD1 LEU 27 2HD1 LEU 27 4.045 9.509 -5.090 160 3HD1 LEU 27 3HD1 LEU 27 2.929 8.162 -4.866 161 1HD2 LEU 27 1HD2 LEU 27 4.556 10.884 -3.712 162 2HD2 LEU 27 2HD2 LEU 27 5.005 10.326 -2.101 163 3HD2 LEU 27 3HD2 LEU 27 3.474 11.166 -2.348 164 HA PRO 28 HA PRO 28 0.766 4.357 -3.961 165 1HB PRO 28 2HB PRO 28 -0.416 5.471 -6.407 166 2HB PRO 28 1HB PRO 28 -1.038 4.224 -5.325 167 1HG PRO 28 2HG PRO 28 -2.134 6.684 -5.455 168 2HG PRO 28 1HG PRO 28 -2.082 5.749 -3.949 169 1HD PRO 28 2HD PRO 28 -0.337 8.018 -4.834 170 2HD PRO 28 1HD PRO 28 -1.007 7.673 -3.226 171 H VAL 29 H VAL 29 2.826 3.929 -4.392 172 HA VAL 29 HA VAL 29 3.817 4.532 -7.047 173 HB VAL 29 HB VAL 29 4.586 6.427 -5.615 174 1HG1 VAL 29 1HG1 VAL 29 6.002 4.251 -4.107 175 2HG1 VAL 29 2HG1 VAL 29 4.859 5.443 -3.489 176 3HG1 VAL 29 3HG1 VAL 29 6.463 5.950 -4.018 177 1HG2 VAL 29 1HG2 VAL 29 6.240 6.571 -7.075 178 2HG2 VAL 29 2HG2 VAL 29 6.123 4.840 -7.389 179 3HG2 VAL 29 3HG2 VAL 29 7.195 5.435 -6.121 Start of MODEL 4 1 H CYS 1 H CYS 1 2.970 2.257 -5.317 2 HA CYS 1 HA CYS 1 5.362 0.601 -5.409 3 1HB CYS 1 2HB CYS 1 2.597 -0.219 -4.486 4 2HB CYS 1 1HB CYS 1 4.141 -0.976 -4.078 5 H GLY 2 H GLY 2 2.443 1.181 -7.145 6 1HA GLY 2 2HA GLY 2 1.640 0.317 -9.127 7 2HA GLY 2 1HA GLY 2 3.204 -0.475 -9.330 8 H GLU 3 H GLU 3 1.315 -0.848 -6.493 9 HA GLU 3 HA GLU 3 0.596 -3.592 -7.241 10 1HB GLU 3 2HB GLU 3 2.560 -3.428 -5.682 11 2HB GLU 3 1HB GLU 3 1.500 -2.646 -4.517 12 1HG GLU 3 2HG GLU 3 0.099 -4.633 -4.455 13 2HG GLU 3 1HG GLU 3 1.160 -5.401 -5.622 14 H THR 4 H THR 4 -1.292 -4.408 -6.271 15 HA THR 4 HA THR 4 -3.077 -2.339 -5.198 16 HB THR 4 HB THR 4 -4.945 -3.877 -5.940 17 HG1 THR 4 HG1 THR 4 -3.220 -4.937 -7.878 18 1HG2 THR 4 1HG2 THR 4 -4.143 -3.254 -8.529 19 2HG2 THR 4 2HG2 THR 4 -3.313 -2.067 -7.523 20 3HG2 THR 4 3HG2 THR 4 -5.069 -2.222 -7.439 21 H CYS 5 H CYS 5 -4.293 -2.814 -3.385 22 HA CYS 5 HA CYS 5 -3.616 -5.367 -2.097 23 1HB CYS 5 2HB CYS 5 -3.731 -4.353 0.081 24 2HB CYS 5 1HB CYS 5 -2.593 -3.461 -0.905 25 H VAL 6 H VAL 6 -5.581 -5.335 -3.802 26 HA VAL 6 HA VAL 6 -8.145 -4.670 -2.931 27 HB VAL 6 HB VAL 6 -7.515 -7.125 -4.570 28 1HG1 VAL 6 1HG1 VAL 6 -9.662 -6.586 -5.648 29 2HG1 VAL 6 2HG1 VAL 6 -9.861 -5.231 -4.536 30 3HG1 VAL 6 3HG1 VAL 6 -9.838 -6.884 -3.918 31 1HG2 VAL 6 1HG2 VAL 6 -7.302 -4.240 -5.290 32 2HG2 VAL 6 2HG2 VAL 6 -7.892 -5.381 -6.499 33 3HG2 VAL 6 3HG2 VAL 6 -6.296 -5.603 -5.783 34 H GLY 7 H GLY 7 -6.046 -7.347 -2.167 35 1HA GLY 7 2HA GLY 7 -8.133 -8.623 -0.550 36 2HA GLY 7 1HA GLY 7 -6.584 -9.336 -0.981 37 H GLY 8 H GLY 8 -6.593 -6.050 0.075 38 1HA GLY 8 2HA GLY 8 -5.795 -5.018 1.955 39 2HA GLY 8 1HA GLY 8 -6.438 -6.380 2.859 40 H THR 9 H THR 9 -3.901 -6.423 0.393 41 HA THR 9 HA THR 9 -1.877 -6.859 2.443 42 HB THR 9 HB THR 9 -1.263 -8.883 0.677 43 HG1 THR 9 HG1 THR 9 -4.059 -9.048 1.243 44 1HG2 THR 9 1HG2 THR 9 -2.738 -10.061 2.772 45 2HG2 THR 9 2HG2 THR 9 -2.022 -8.587 3.426 46 3HG2 THR 9 3HG2 THR 9 -0.995 -9.813 2.684 47 H CYS 10 H CYS 10 0.204 -6.424 1.778 48 HA CYS 10 HA CYS 10 0.628 -5.663 -1.019 49 1HB CYS 10 2HB CYS 10 1.455 -3.992 1.364 50 2HB CYS 10 1HB CYS 10 1.899 -3.668 -0.305 51 H ASN 11 H ASN 11 2.467 -6.378 -1.813 52 HA ASN 11 HA ASN 11 4.219 -7.950 -0.107 53 1HB ASN 11 2HB ASN 11 4.121 -7.553 -3.105 54 2HB ASN 11 1HB ASN 11 5.260 -8.615 -2.284 55 1HD2 ASN 11 1HD2 ASN 11 2.047 -8.182 -3.399 56 2HD2 ASN 11 2HD2 ASN 11 1.466 -9.764 -2.990 57 H THR 12 H THR 12 4.309 -5.023 -2.066 58 HA THR 12 HA THR 12 7.087 -4.611 -2.048 59 HB THR 12 HB THR 12 5.144 -2.330 -1.918 60 HG1 THR 12 HG1 THR 12 4.244 -3.776 -3.439 61 1HG2 THR 12 1HG2 THR 12 7.812 -2.321 -2.177 62 2HG2 THR 12 2HG2 THR 12 6.776 -1.121 -2.949 63 3HG2 THR 12 3HG2 THR 12 7.367 -2.500 -3.875 64 HA PRO 13 HA PRO 13 7.593 -3.893 2.330 65 1HB PRO 13 2HB PRO 13 10.281 -3.006 1.520 66 2HB PRO 13 1HB PRO 13 9.800 -4.283 2.638 67 1HG PRO 13 2HG PRO 13 10.823 -4.852 0.225 68 2HG PRO 13 1HG PRO 13 9.552 -5.850 0.955 69 1HD PRO 13 2HD PRO 13 9.332 -3.764 -1.181 70 2HD PRO 13 1HD PRO 13 8.509 -5.334 -1.047 71 H GLY 14 H GLY 14 6.640 -2.160 3.096 72 1HA GLY 14 2HA GLY 14 7.007 0.056 3.996 73 2HA GLY 14 1HA GLY 14 7.818 0.471 2.492 74 H CYS 15 H CYS 15 5.318 -1.363 1.559 75 HA CYS 15 HA CYS 15 3.743 1.018 0.944 76 1HB CYS 15 2HB CYS 15 3.655 -1.779 -0.186 77 2HB CYS 15 1HB CYS 15 2.576 -0.474 -0.689 78 H THR 16 H THR 16 2.006 1.533 1.961 79 HA THR 16 HA THR 16 0.748 -0.325 3.817 80 HB THR 16 HB THR 16 -0.625 1.846 4.306 81 HG1 THR 16 HG1 THR 16 0.181 3.002 2.460 82 1HG2 THR 16 1HG2 THR 16 1.738 2.691 5.423 83 2HG2 THR 16 2HG2 THR 16 2.036 0.975 5.142 84 3HG2 THR 16 3HG2 THR 16 0.653 1.483 6.113 85 H CYS 17 H CYS 17 -1.428 -0.938 3.659 86 HA CYS 17 HA CYS 17 -2.462 -0.967 1.003 87 1HB CYS 17 2HB CYS 17 -2.832 -2.878 2.482 88 2HB CYS 17 1HB CYS 17 -3.774 -1.866 3.574 89 H SER 18 H SER 18 -3.940 0.194 0.096 90 HA SER 18 HA SER 18 -5.703 1.957 1.576 91 1HB SER 18 2HB SER 18 -3.879 2.999 -0.619 92 2HB SER 18 1HB SER 18 -5.075 3.932 0.283 93 HG SER 18 HG SER 18 -3.545 2.824 2.088 94 H TRP 19 H TRP 19 -6.802 0.017 0.759 95 HA TRP 19 HA TRP 19 -7.237 -1.064 -1.542 96 1HB TRP 19 2HB TRP 19 -8.682 -1.234 0.594 97 2HB TRP 19 1HB TRP 19 -9.723 -0.052 -0.200 98 HD1 TRP 19 HD1 TRP 19 -8.768 -3.707 -0.276 99 HE1 TRP 19 HE1 TRP 19 -10.165 -4.933 -2.054 100 HE3 TRP 19 HE3 TRP 19 -10.952 0.336 -2.503 101 HZ2 TRP 19 HZ2 TRP 19 -11.960 -4.261 -4.139 102 HZ3 TRP 19 HZ3 TRP 19 -12.477 -0.036 -4.391 103 HH2 TRP 19 HH2 TRP 19 -12.961 -2.279 -5.193 104 HA PRO 20 HA PRO 20 -7.752 -1.813 -3.008 105 1HB PRO 20 2HB PRO 20 -7.930 -2.149 -5.634 106 2HB PRO 20 1HB PRO 20 -9.386 -1.913 -4.660 107 1HG PRO 20 2HG PRO 20 -8.027 -0.033 -6.511 108 2HG PRO 20 1HG PRO 20 -9.739 -0.139 -6.072 109 1HD PRO 20 2HD PRO 20 -7.750 1.623 -4.993 110 2HD PRO 20 1HD PRO 20 -9.455 1.487 -4.520 111 H VAL 21 H VAL 21 -5.811 0.626 -3.200 112 HA VAL 21 HA VAL 21 -3.724 -0.829 -4.683 113 HB VAL 21 HB VAL 21 -2.839 1.585 -5.172 114 1HG1 VAL 21 1HG1 VAL 21 -3.509 -0.008 -6.887 115 2HG1 VAL 21 2HG1 VAL 21 -4.131 1.595 -7.274 116 3HG1 VAL 21 3HG1 VAL 21 -5.209 0.370 -6.603 117 1HG2 VAL 21 1HG2 VAL 21 -5.775 2.005 -4.627 118 2HG2 VAL 21 2HG2 VAL 21 -4.788 3.124 -5.574 119 3HG2 VAL 21 3HG2 VAL 21 -4.409 2.836 -3.876 120 H CYS 22 H CYS 22 -1.611 -0.685 -3.990 121 HA CYS 22 HA CYS 22 -1.298 -0.113 -1.170 122 1HB CYS 22 2HB CYS 22 0.607 -1.267 -3.231 123 2HB CYS 22 1HB CYS 22 0.999 -1.066 -1.525 124 H THR 23 H THR 23 -0.567 1.723 -0.367 125 HA THR 23 HA THR 23 0.652 3.691 -2.169 126 HB THR 23 HB THR 23 0.250 5.283 -0.249 127 HG1 THR 23 HG1 THR 23 -1.697 3.772 0.912 128 1HG2 THR 23 1HG2 THR 23 -2.354 5.094 -0.532 129 2HG2 THR 23 2HG2 THR 23 -1.929 3.877 -1.737 130 3HG2 THR 23 3HG2 THR 23 -1.336 5.530 -1.906 131 H ARG 24 H ARG 24 2.557 4.839 -1.509 132 HA ARG 24 HA ARG 24 4.081 3.504 0.616 133 1HB ARG 24 2HB ARG 24 4.708 2.971 -1.886 134 2HB ARG 24 1HB ARG 24 5.484 4.546 -1.811 135 1HG ARG 24 2HG ARG 24 6.861 3.816 0.039 136 2HG ARG 24 1HG ARG 24 6.037 2.254 0.062 137 1HD ARG 24 2HD ARG 24 6.790 2.087 -2.403 138 2HD ARG 24 1HD ARG 24 7.927 3.367 -1.978 139 HE ARG 24 HE ARG 24 8.092 1.275 -0.092 140 1HH1 ARG 24 1HH1 ARG 24 8.942 2.041 -3.390 141 2HH1 ARG 24 2HH1 ARG 24 10.250 0.908 -3.459 142 1HH2 ARG 24 1HH2 ARG 24 9.796 -0.243 -0.163 143 2HH2 ARG 24 2HH2 ARG 24 10.743 -0.395 -1.610 144 H ASN 25 H ASN 25 4.881 4.841 2.041 145 HA ASN 25 HA ASN 25 5.072 6.747 3.238 146 1HB ASN 25 2HB ASN 25 6.812 8.296 2.402 147 2HB ASN 25 1HB ASN 25 7.282 6.606 2.340 148 1HD2 ASN 25 1HD2 ASN 25 6.915 9.489 0.614 149 2HD2 ASN 25 2HD2 ASN 25 7.312 8.885 -0.954 150 H GLY 26 H GLY 26 2.619 6.854 1.899 151 1HA GLY 26 2HA GLY 26 1.056 8.623 2.135 152 2HA GLY 26 1HA GLY 26 2.337 9.765 1.796 153 H LEU 27 H LEU 27 2.539 7.377 -0.555 154 HA LEU 27 HA LEU 27 0.392 8.347 -2.213 155 1HB LEU 27 2HB LEU 27 1.738 9.304 -3.983 156 2HB LEU 27 1HB LEU 27 1.983 10.180 -2.489 157 HG LEU 27 HG LEU 27 3.930 8.059 -3.355 158 1HD1 LEU 27 1HD1 LEU 27 5.025 10.524 -4.028 159 2HD1 LEU 27 2HD1 LEU 27 3.384 10.574 -4.671 160 3HD1 LEU 27 3HD1 LEU 27 4.475 9.271 -5.141 161 1HD2 LEU 27 1HD2 LEU 27 3.907 9.116 -1.031 162 2HD2 LEU 27 2HD2 LEU 27 4.432 10.598 -1.830 163 3HD2 LEU 27 3HD2 LEU 27 5.432 9.149 -1.916 164 HA PRO 28 HA PRO 28 0.929 4.280 -3.800 165 1HB PRO 28 2HB PRO 28 -0.538 5.102 -6.191 166 2HB PRO 28 1HB PRO 28 -0.995 3.958 -4.927 167 1HG PRO 28 2HG PRO 28 -2.195 6.369 -5.218 168 2HG PRO 28 1HG PRO 28 -2.005 5.576 -3.644 169 1HD PRO 28 2HD PRO 28 -0.418 7.809 -4.848 170 2HD PRO 28 1HD PRO 28 -0.949 7.579 -3.168 171 H VAL 29 H VAL 29 3.002 4.003 -4.375 172 HA VAL 29 HA VAL 29 3.691 4.531 -7.170 173 HB VAL 29 HB VAL 29 6.033 5.143 -6.479 174 1HG1 VAL 29 1HG1 VAL 29 4.931 6.989 -7.249 175 2HG1 VAL 29 2HG1 VAL 29 5.245 7.496 -5.589 176 3HG1 VAL 29 3HG1 VAL 29 3.657 6.873 -6.035 177 1HG2 VAL 29 1HG2 VAL 29 4.739 5.092 -3.789 178 2HG2 VAL 29 2HG2 VAL 29 6.043 6.236 -4.108 179 3HG2 VAL 29 3HG2 VAL 29 6.326 4.504 -4.285 Start of MODEL 5 1 H CYS 1 H CYS 1 2.905 2.224 -5.627 2 HA CYS 1 HA CYS 1 5.345 0.609 -5.402 3 1HB CYS 1 2HB CYS 1 2.547 -0.168 -4.528 4 2HB CYS 1 1HB CYS 1 4.068 -0.929 -4.056 5 H GLY 2 H GLY 2 2.501 1.132 -7.271 6 1HA GLY 2 2HA GLY 2 1.751 0.176 -9.235 7 2HA GLY 2 1HA GLY 2 3.332 -0.599 -9.366 8 H GLU 3 H GLU 3 1.310 -0.869 -6.607 9 HA GLU 3 HA GLU 3 0.597 -3.634 -7.255 10 1HB GLU 3 2HB GLU 3 2.575 -3.665 -5.846 11 2HB GLU 3 1HB GLU 3 1.818 -2.569 -4.706 12 1HG GLU 3 2HG GLU 3 0.243 -4.242 -4.056 13 2HG GLU 3 1HG GLU 3 0.822 -5.320 -5.317 14 H THR 4 H THR 4 -1.290 -4.368 -6.285 15 HA THR 4 HA THR 4 -2.994 -2.263 -5.147 16 HB THR 4 HB THR 4 -4.911 -3.761 -5.872 17 HG1 THR 4 HG1 THR 4 -3.391 -4.828 -7.916 18 1HG2 THR 4 1HG2 THR 4 -5.042 -2.098 -7.358 19 2HG2 THR 4 2HG2 THR 4 -4.114 -3.111 -8.465 20 3HG2 THR 4 3HG2 THR 4 -3.286 -1.940 -7.438 21 H CYS 5 H CYS 5 -4.225 -2.727 -3.333 22 HA CYS 5 HA CYS 5 -3.578 -5.291 -2.054 23 1HB CYS 5 2HB CYS 5 -3.703 -4.277 0.128 24 2HB CYS 5 1HB CYS 5 -2.538 -3.411 -0.850 25 H VAL 6 H VAL 6 -5.549 -5.230 -3.768 26 HA VAL 6 HA VAL 6 -8.105 -4.548 -2.890 27 HB VAL 6 HB VAL 6 -7.488 -7.000 -4.542 28 1HG1 VAL 6 1HG1 VAL 6 -9.841 -5.115 -4.493 29 2HG1 VAL 6 2HG1 VAL 6 -9.808 -6.762 -3.864 30 3HG1 VAL 6 3HG1 VAL 6 -9.644 -6.476 -5.597 31 1HG2 VAL 6 1HG2 VAL 6 -6.261 -4.942 -5.331 32 2HG2 VAL 6 2HG2 VAL 6 -7.839 -4.214 -5.624 33 3HG2 VAL 6 3HG2 VAL 6 -7.364 -5.668 -6.500 34 H GLY 7 H GLY 7 -6.039 -7.261 -2.147 35 1HA GLY 7 2HA GLY 7 -8.136 -8.505 -0.517 36 2HA GLY 7 1HA GLY 7 -6.609 -9.249 -0.971 37 H GLY 8 H GLY 8 -6.554 -5.969 0.118 38 1HA GLY 8 2HA GLY 8 -5.716 -4.970 1.999 39 2HA GLY 8 1HA GLY 8 -6.358 -6.338 2.896 40 H THR 9 H THR 9 -3.864 -6.371 0.387 41 HA THR 9 HA THR 9 -1.807 -6.854 2.389 42 HB THR 9 HB THR 9 -1.253 -8.865 0.589 43 HG1 THR 9 HG1 THR 9 -4.032 -9.029 1.224 44 1HG2 THR 9 1HG2 THR 9 -2.527 -8.844 3.307 45 2HG2 THR 9 2HG2 THR 9 -0.870 -9.252 2.861 46 3HG2 THR 9 3HG2 THR 9 -2.185 -10.360 2.472 47 H CYS 10 H CYS 10 0.260 -6.433 1.690 48 HA CYS 10 HA CYS 10 0.664 -5.678 -1.111 49 1HB CYS 10 2HB CYS 10 1.533 -3.989 1.248 50 2HB CYS 10 1HB CYS 10 1.923 -3.671 -0.434 51 H ASN 11 H ASN 11 2.550 -6.382 -1.898 52 HA ASN 11 HA ASN 11 4.267 -7.942 -0.143 53 1HB ASN 11 2HB ASN 11 4.323 -7.547 -3.144 54 2HB ASN 11 1HB ASN 11 5.355 -8.657 -2.250 55 1HD2 ASN 11 1HD2 ASN 11 2.320 -8.135 -3.683 56 2HD2 ASN 11 2HD2 ASN 11 1.612 -9.668 -3.286 57 H THR 12 H THR 12 4.298 -4.979 -1.994 58 HA THR 12 HA THR 12 7.073 -4.496 -1.983 59 HB THR 12 HB THR 12 5.107 -2.248 -1.795 60 HG1 THR 12 HG1 THR 12 4.129 -3.693 -3.262 61 1HG2 THR 12 1HG2 THR 12 6.664 -1.058 -2.993 62 2HG2 THR 12 2HG2 THR 12 7.288 -2.488 -3.817 63 3HG2 THR 12 3HG2 THR 12 7.730 -2.174 -2.138 64 HA PRO 13 HA PRO 13 7.471 -3.836 2.431 65 1HB PRO 13 2HB PRO 13 10.219 -3.059 1.727 66 2HB PRO 13 1HB PRO 13 9.646 -4.346 2.789 67 1HG PRO 13 2HG PRO 13 10.739 -4.878 0.394 68 2HG PRO 13 1HG PRO 13 9.422 -5.860 1.061 69 1HD PRO 13 2HD PRO 13 9.315 -3.710 -1.022 70 2HD PRO 13 1HD PRO 13 8.460 -5.266 -0.965 71 H GLY 14 H GLY 14 6.583 -2.052 3.181 72 1HA GLY 14 2HA GLY 14 7.043 0.171 4.039 73 2HA GLY 14 1HA GLY 14 7.851 0.523 2.516 74 H CYS 15 H CYS 15 5.371 -1.211 1.512 75 HA CYS 15 HA CYS 15 3.815 1.180 0.933 76 1HB CYS 15 2HB CYS 15 3.737 -1.609 -0.208 77 2HB CYS 15 1HB CYS 15 2.609 -0.336 -0.679 78 H THR 16 H THR 16 2.097 1.722 1.975 79 HA THR 16 HA THR 16 0.830 -0.118 3.835 80 HB THR 16 HB THR 16 -0.544 2.069 4.286 81 HG1 THR 16 HG1 THR 16 0.280 3.201 2.440 82 1HG2 THR 16 1HG2 THR 16 1.414 0.924 5.607 83 2HG2 THR 16 2HG2 THR 16 0.887 2.554 6.026 84 3HG2 THR 16 3HG2 THR 16 2.332 2.321 5.043 85 H CYS 17 H CYS 17 -1.312 -0.798 3.659 86 HA CYS 17 HA CYS 17 -2.368 -0.831 1.018 87 1HB CYS 17 2HB CYS 17 -2.720 -2.740 2.496 88 2HB CYS 17 1HB CYS 17 -3.651 -1.732 3.601 89 H SER 18 H SER 18 -3.859 0.324 0.112 90 HA SER 18 HA SER 18 -5.617 2.081 1.605 91 1HB SER 18 2HB SER 18 -3.830 3.127 -0.618 92 2HB SER 18 1HB SER 18 -5.000 4.059 0.318 93 HG SER 18 HG SER 18 -3.455 2.962 2.095 94 H TRP 19 H TRP 19 -6.733 0.147 0.805 95 HA TRP 19 HA TRP 19 -7.191 -0.942 -1.488 96 1HB TRP 19 2HB TRP 19 -8.616 -1.099 0.663 97 2HB TRP 19 1HB TRP 19 -9.664 0.078 -0.131 98 HD1 TRP 19 HD1 TRP 19 -8.703 -3.577 -0.196 99 HE1 TRP 19 HE1 TRP 19 -10.112 -4.814 -1.958 100 HE3 TRP 19 HE3 TRP 19 -10.916 0.452 -2.423 101 HZ2 TRP 19 HZ2 TRP 19 -11.927 -4.154 -4.030 102 HZ3 TRP 19 HZ3 TRP 19 -12.454 0.067 -4.296 103 HH2 TRP 19 HH2 TRP 19 -12.942 -2.180 -5.082 104 HA PRO 20 HA PRO 20 -7.746 -1.700 -2.945 105 1HB PRO 20 2HB PRO 20 -7.940 -2.047 -5.566 106 2HB PRO 20 1HB PRO 20 -9.389 -1.784 -4.589 107 1HG PRO 20 2HG PRO 20 -7.998 0.073 -6.444 108 2HG PRO 20 1HG PRO 20 -9.715 -0.020 -6.022 109 1HD PRO 20 2HD PRO 20 -7.739 1.741 -4.936 110 2HD PRO 20 1HD PRO 20 -9.441 1.594 -4.456 111 H VAL 21 H VAL 21 -5.795 0.750 -3.208 112 HA VAL 21 HA VAL 21 -3.719 -0.751 -4.663 113 HB VAL 21 HB VAL 21 -2.816 1.647 -5.188 114 1HG1 VAL 21 1HG1 VAL 21 -3.507 0.050 -6.887 115 2HG1 VAL 21 2HG1 VAL 21 -4.130 1.652 -7.282 116 3HG1 VAL 21 3HG1 VAL 21 -5.203 0.435 -6.589 117 1HG2 VAL 21 1HG2 VAL 21 -4.368 2.927 -3.895 118 2HG2 VAL 21 2HG2 VAL 21 -5.745 2.107 -4.638 119 3HG2 VAL 21 3HG2 VAL 21 -4.746 3.205 -5.596 120 H CYS 22 H CYS 22 -1.612 -0.633 -3.959 121 HA CYS 22 HA CYS 22 -1.290 -0.027 -1.152 122 1HB CYS 22 2HB CYS 22 0.644 -1.133 -3.207 123 2HB CYS 22 1HB CYS 22 0.996 -0.975 -1.492 124 H THR 23 H THR 23 -0.552 1.835 -0.366 125 HA THR 23 HA THR 23 0.595 3.782 -2.219 126 HB THR 23 HB THR 23 0.379 5.366 -0.265 127 HG1 THR 23 HG1 THR 23 -1.550 3.877 0.981 128 1HG2 THR 23 1HG2 THR 23 -1.847 4.094 -1.751 129 2HG2 THR 23 2HG2 THR 23 -1.324 5.777 -1.712 130 3HG2 THR 23 3HG2 THR 23 -2.293 5.123 -0.391 131 H ARG 24 H ARG 24 2.593 4.685 -1.935 132 HA ARG 24 HA ARG 24 4.348 3.251 -0.076 133 1HB ARG 24 2HB ARG 24 4.843 3.280 -2.594 134 2HB ARG 24 1HB ARG 24 5.242 4.980 -2.382 135 1HG ARG 24 2HG ARG 24 7.007 4.421 -0.842 136 2HG ARG 24 1HG ARG 24 6.560 2.715 -0.901 137 1HD ARG 24 2HD ARG 24 8.451 3.009 -2.318 138 2HD ARG 24 1HD ARG 24 7.046 2.758 -3.352 139 HE ARG 24 HE ARG 24 7.400 5.512 -2.986 140 1HH1 ARG 24 1HH1 ARG 24 8.929 2.797 -4.569 141 2HH1 ARG 24 2HH1 ARG 24 9.701 3.763 -5.782 142 1HH2 ARG 24 1HH2 ARG 24 8.417 6.807 -4.584 143 2HH2 ARG 24 2HH2 ARG 24 9.408 6.055 -5.789 144 H ASN 25 H ASN 25 4.605 4.282 1.732 145 HA ASN 25 HA ASN 25 4.659 5.880 3.312 146 1HB ASN 25 2HB ASN 25 6.409 7.566 3.069 147 2HB ASN 25 1HB ASN 25 6.955 5.990 2.522 148 1HD2 ASN 25 1HD2 ASN 25 8.027 5.959 0.682 149 2HD2 ASN 25 2HD2 ASN 25 7.975 7.174 -0.541 150 H GLY 26 H GLY 26 2.392 6.184 1.566 151 1HA GLY 26 2HA GLY 26 0.801 7.948 2.298 152 2HA GLY 26 1HA GLY 26 2.038 9.103 1.848 153 H LEU 27 H LEU 27 2.638 7.530 -0.673 154 HA LEU 27 HA LEU 27 0.143 8.083 -2.123 155 1HB LEU 27 2HB LEU 27 1.315 9.271 -3.886 156 2HB LEU 27 1HB LEU 27 1.520 10.078 -2.347 157 HG LEU 27 HG LEU 27 3.640 8.244 -3.444 158 1HD1 LEU 27 1HD1 LEU 27 4.376 9.761 -4.908 159 2HD1 LEU 27 2HD1 LEU 27 4.107 11.097 -3.788 160 3HD1 LEU 27 3HD1 LEU 27 2.775 10.490 -4.772 161 1HD2 LEU 27 1HD2 LEU 27 5.023 9.971 -2.089 162 2HD2 LEU 27 2HD2 LEU 27 4.138 8.712 -1.227 163 3HD2 LEU 27 3HD2 LEU 27 3.482 10.346 -1.318 164 HA PRO 28 HA PRO 28 0.823 4.152 -3.955 165 1HB PRO 28 2HB PRO 28 -0.549 5.236 -6.337 166 2HB PRO 28 1HB PRO 28 -0.967 3.855 -5.319 167 1HG PRO 28 2HG PRO 28 -2.362 6.140 -5.218 168 2HG PRO 28 1HG PRO 28 -2.071 5.163 -3.768 169 1HD PRO 28 2HD PRO 28 -0.736 7.688 -4.654 170 2HD PRO 28 1HD PRO 28 -1.198 7.169 -3.019 171 H VAL 29 H VAL 29 2.924 3.926 -4.416 172 HA VAL 29 HA VAL 29 3.773 4.505 -7.147 173 HB VAL 29 HB VAL 29 5.703 5.090 -4.900 174 1HG1 VAL 29 1HG1 VAL 29 7.133 5.795 -6.498 175 2HG1 VAL 29 2HG1 VAL 29 5.851 6.451 -7.517 176 3HG1 VAL 29 3HG1 VAL 29 6.170 4.716 -7.509 177 1HG2 VAL 29 1HG2 VAL 29 3.888 7.091 -6.240 178 2HG2 VAL 29 2HG2 VAL 29 5.291 7.506 -5.253 179 3HG2 VAL 29 3HG2 VAL 29 3.920 6.665 -4.528 Start of MODEL 6 1 H CYS 1 H CYS 1 2.948 2.271 -5.313 2 HA CYS 1 HA CYS 1 5.335 0.613 -5.391 3 1HB CYS 1 2HB CYS 1 2.564 -0.211 -4.493 4 2HB CYS 1 1HB CYS 1 4.105 -0.960 -4.066 5 H GLY 2 H GLY 2 2.427 1.184 -7.153 6 1HA GLY 2 2HA GLY 2 1.639 0.308 -9.137 7 2HA GLY 2 1HA GLY 2 3.212 -0.469 -9.330 8 H GLU 3 H GLU 3 1.258 -0.838 -6.529 9 HA GLU 3 HA GLU 3 0.575 -3.592 -7.268 10 1HB GLU 3 2HB GLU 3 2.528 -3.496 -5.740 11 2HB GLU 3 1HB GLU 3 1.548 -2.614 -4.578 12 1HG GLU 3 2HG GLU 3 0.017 -4.550 -4.485 13 2HG GLU 3 1HG GLU 3 1.131 -5.413 -5.529 14 H THR 4 H THR 4 -1.305 -4.412 -6.308 15 HA THR 4 HA THR 4 -3.111 -2.362 -5.225 16 HB THR 4 HB THR 4 -4.963 -3.891 -5.946 17 HG1 THR 4 HG1 THR 4 -3.165 -5.628 -6.314 18 1HG2 THR 4 1HG2 THR 4 -3.301 -2.175 -7.598 19 2HG2 THR 4 2HG2 THR 4 -5.058 -2.314 -7.529 20 3HG2 THR 4 3HG2 THR 4 -4.126 -3.402 -8.559 21 H CYS 5 H CYS 5 -4.269 -2.815 -3.385 22 HA CYS 5 HA CYS 5 -3.599 -5.370 -2.096 23 1HB CYS 5 2HB CYS 5 -3.720 -4.351 0.079 24 2HB CYS 5 1HB CYS 5 -2.585 -3.455 -0.907 25 H VAL 6 H VAL 6 -5.564 -5.348 -3.801 26 HA VAL 6 HA VAL 6 -8.129 -4.679 -2.937 27 HB VAL 6 HB VAL 6 -7.491 -7.139 -4.568 28 1HG1 VAL 6 1HG1 VAL 6 -9.814 -6.909 -3.909 29 2HG1 VAL 6 2HG1 VAL 6 -9.643 -6.623 -5.641 30 3HG1 VAL 6 3HG1 VAL 6 -9.849 -5.260 -4.538 31 1HG2 VAL 6 1HG2 VAL 6 -8.002 -5.209 -6.414 32 2HG2 VAL 6 2HG2 VAL 6 -6.390 -5.753 -5.952 33 3HG2 VAL 6 3HG2 VAL 6 -7.077 -4.307 -5.213 34 H GLY 7 H GLY 7 -6.031 -7.351 -2.152 35 1HA GLY 7 2HA GLY 7 -8.124 -8.622 -0.538 36 2HA GLY 7 1HA GLY 7 -6.569 -9.332 -0.954 37 H GLY 8 H GLY 8 -6.596 -6.038 0.079 38 1HA GLY 8 2HA GLY 8 -5.812 -4.991 1.956 39 2HA GLY 8 1HA GLY 8 -6.460 -6.345 2.865 40 H THR 9 H THR 9 -3.906 -6.414 0.417 41 HA THR 9 HA THR 9 -1.892 -6.813 2.481 42 HB THR 9 HB THR 9 -1.261 -8.877 0.782 43 HG1 THR 9 HG1 THR 9 -4.072 -9.011 1.272 44 1HG2 THR 9 1HG2 THR 9 -1.191 -8.823 3.278 45 2HG2 THR 9 2HG2 THR 9 -1.814 -10.334 2.615 46 3HG2 THR 9 3HG2 THR 9 -2.925 -9.142 3.287 47 H CYS 10 H CYS 10 0.190 -6.382 1.811 48 HA CYS 10 HA CYS 10 0.611 -5.680 -1.004 49 1HB CYS 10 2HB CYS 10 1.452 -3.970 1.347 50 2HB CYS 10 1HB CYS 10 1.882 -3.673 -0.330 51 H ASN 11 H ASN 11 2.480 -6.367 -1.795 52 HA ASN 11 HA ASN 11 4.230 -7.905 -0.043 53 1HB ASN 11 2HB ASN 11 4.061 -7.645 -3.047 54 2HB ASN 11 1HB ASN 11 5.331 -8.552 -2.238 55 1HD2 ASN 11 1HD2 ASN 11 2.483 -8.737 -0.493 56 2HD2 ASN 11 2HD2 ASN 11 1.914 -10.256 -1.088 57 H THR 12 H THR 12 4.290 -5.009 -2.041 58 HA THR 12 HA THR 12 7.065 -4.583 -2.062 59 HB THR 12 HB THR 12 5.106 -2.315 -1.908 60 HG1 THR 12 HG1 THR 12 4.189 -3.729 -3.426 61 1HG2 THR 12 1HG2 THR 12 6.979 -2.012 -3.984 62 2HG2 THR 12 2HG2 THR 12 7.878 -2.651 -2.608 63 3HG2 THR 12 3HG2 THR 12 6.945 -1.164 -2.438 64 HA PRO 13 HA PRO 13 7.642 -3.859 2.303 65 1HB PRO 13 2HB PRO 13 10.305 -2.941 1.446 66 2HB PRO 13 1HB PRO 13 9.858 -4.225 2.569 67 1HG PRO 13 2HG PRO 13 10.843 -4.780 0.138 68 2HG PRO 13 1HG PRO 13 9.590 -5.790 0.887 69 1HD PRO 13 2HD PRO 13 9.319 -3.693 -1.234 70 2HD PRO 13 1HD PRO 13 8.515 -5.272 -1.101 71 H GLY 14 H GLY 14 6.671 -2.144 3.079 72 1HA GLY 14 2HA GLY 14 7.008 0.067 3.992 73 2HA GLY 14 1HA GLY 14 7.822 0.502 2.495 74 H CYS 15 H CYS 15 5.324 -1.352 1.564 75 HA CYS 15 HA CYS 15 3.736 1.023 0.958 76 1HB CYS 15 2HB CYS 15 3.686 -1.763 -0.196 77 2HB CYS 15 1HB CYS 15 2.576 -0.478 -0.679 78 H THR 16 H THR 16 1.988 1.516 1.966 79 HA THR 16 HA THR 16 0.739 -0.366 3.807 80 HB THR 16 HB THR 16 -0.643 1.797 4.315 81 HG1 THR 16 HG1 THR 16 0.183 2.970 2.483 82 1HG2 THR 16 1HG2 THR 16 0.731 1.089 6.033 83 2HG2 THR 16 2HG2 THR 16 1.421 2.668 5.657 84 3HG2 THR 16 3HG2 THR 16 2.192 1.201 5.052 85 H CYS 17 H CYS 17 -1.455 -0.944 3.661 86 HA CYS 17 HA CYS 17 -2.478 -0.978 0.999 87 1HB CYS 17 2HB CYS 17 -2.856 -2.884 2.486 88 2HB CYS 17 1HB CYS 17 -3.805 -1.865 3.565 89 H SER 18 H SER 18 -3.953 0.182 0.086 90 HA SER 18 HA SER 18 -5.718 1.952 1.554 91 1HB SER 18 2HB SER 18 -3.878 2.986 -0.631 92 2HB SER 18 1HB SER 18 -5.082 3.923 0.254 93 HG SER 18 HG SER 18 -3.567 2.818 2.077 94 H TRP 19 H TRP 19 -6.812 0.010 0.732 95 HA TRP 19 HA TRP 19 -7.242 -1.075 -1.566 96 1HB TRP 19 2HB TRP 19 -8.695 -1.228 0.567 97 2HB TRP 19 1HB TRP 19 -9.733 -0.052 -0.243 98 HD1 TRP 19 HD1 TRP 19 -8.786 -3.708 -0.274 99 HE1 TRP 19 HE1 TRP 19 -10.171 -4.951 -2.051 100 HE3 TRP 19 HE3 TRP 19 -10.938 0.315 -2.568 101 HZ2 TRP 19 HZ2 TRP 19 -11.945 -4.297 -4.159 102 HZ3 TRP 19 HZ3 TRP 19 -12.446 -0.075 -4.465 103 HH2 TRP 19 HH2 TRP 19 -12.931 -2.325 -5.244 104 HA PRO 20 HA PRO 20 -7.750 -1.826 -3.036 105 1HB PRO 20 2HB PRO 20 -7.918 -2.168 -5.661 106 2HB PRO 20 1HB PRO 20 -9.378 -1.922 -4.696 107 1HG PRO 20 2HG PRO 20 -7.993 -0.051 -6.539 108 2HG PRO 20 1HG PRO 20 -9.711 -0.153 -6.121 109 1HD PRO 20 2HD PRO 20 -7.736 1.610 -5.024 110 2HD PRO 20 1HD PRO 20 -9.443 1.470 -4.562 111 H VAL 21 H VAL 21 -5.812 0.619 -3.234 112 HA VAL 21 HA VAL 21 -3.713 -0.840 -4.695 113 HB VAL 21 HB VAL 21 -2.827 1.571 -5.189 114 1HG1 VAL 21 1HG1 VAL 21 -4.106 1.569 -7.302 115 2HG1 VAL 21 2HG1 VAL 21 -5.184 0.344 -6.629 116 3HG1 VAL 21 3HG1 VAL 21 -3.481 -0.031 -6.902 117 1HG2 VAL 21 1HG2 VAL 21 -4.405 2.831 -3.913 118 2HG2 VAL 21 2HG2 VAL 21 -5.766 1.991 -4.663 119 3HG2 VAL 21 3HG2 VAL 21 -4.780 3.103 -5.616 120 H CYS 22 H CYS 22 -1.599 -0.671 -3.999 121 HA CYS 22 HA CYS 22 -1.309 -0.104 -1.176 122 1HB CYS 22 2HB CYS 22 0.615 -1.243 -3.225 123 2HB CYS 22 1HB CYS 22 0.991 -1.051 -1.515 124 H THR 23 H THR 23 -0.560 1.720 -0.355 125 HA THR 23 HA THR 23 0.650 3.702 -2.149 126 HB THR 23 HB THR 23 0.240 5.283 -0.222 127 HG1 THR 23 HG1 THR 23 -1.712 3.771 0.923 128 1HG2 THR 23 1HG2 THR 23 -2.178 3.870 -1.357 129 2HG2 THR 23 2HG2 THR 23 -1.281 5.174 -2.136 130 3HG2 THR 23 3HG2 THR 23 -2.166 5.482 -0.642 131 H ARG 24 H ARG 24 2.581 4.797 -1.539 132 HA ARG 24 HA ARG 24 4.087 3.469 0.606 133 1HB ARG 24 2HB ARG 24 4.732 2.909 -1.864 134 2HB ARG 24 1HB ARG 24 5.460 4.511 -1.846 135 1HG ARG 24 2HG ARG 24 6.879 3.877 0.009 136 2HG ARG 24 1HG ARG 24 6.108 2.292 0.085 137 1HD ARG 24 2HD ARG 24 6.840 2.068 -2.376 138 2HD ARG 24 1HD ARG 24 7.932 3.406 -2.014 139 HE ARG 24 HE ARG 24 8.191 1.378 -0.062 140 1HH1 ARG 24 1HH1 ARG 24 9.016 2.115 -3.375 141 2HH1 ARG 24 2HH1 ARG 24 10.373 1.040 -3.417 142 1HH2 ARG 24 1HH2 ARG 24 9.962 -0.064 -0.100 143 2HH2 ARG 24 2HH2 ARG 24 10.919 -0.201 -1.541 144 H ASN 25 H ASN 25 4.901 4.793 2.038 145 HA ASN 25 HA ASN 25 5.099 6.690 3.248 146 1HB ASN 25 2HB ASN 25 6.848 8.233 2.424 147 2HB ASN 25 1HB ASN 25 7.307 6.541 2.341 148 1HD2 ASN 25 1HD2 ASN 25 6.962 9.448 0.654 149 2HD2 ASN 25 2HD2 ASN 25 7.348 8.860 -0.923 150 H GLY 26 H GLY 26 2.646 6.818 1.911 151 1HA GLY 26 2HA GLY 26 1.089 8.587 2.158 152 2HA GLY 26 1HA GLY 26 2.374 9.731 1.838 153 H LEU 27 H LEU 27 2.547 7.344 -0.534 154 HA LEU 27 HA LEU 27 0.425 8.362 -2.191 155 1HB LEU 27 2HB LEU 27 1.796 9.303 -3.956 156 2HB LEU 27 1HB LEU 27 2.032 10.174 -2.458 157 HG LEU 27 HG LEU 27 3.972 8.039 -3.297 158 1HD1 LEU 27 1HD1 LEU 27 4.973 9.324 -4.840 159 2HD1 LEU 27 2HD1 LEU 27 4.703 10.806 -3.922 160 3HD1 LEU 27 3HD1 LEU 27 3.416 10.148 -4.933 161 1HD2 LEU 27 1HD2 LEU 27 5.221 8.784 -1.595 162 2HD2 LEU 27 2HD2 LEU 27 3.745 9.567 -1.028 163 3HD2 LEU 27 3HD2 LEU 27 4.911 10.475 -1.991 164 HA PRO 28 HA PRO 28 0.909 4.295 -3.801 165 1HB PRO 28 2HB PRO 28 -0.557 5.152 -6.180 166 2HB PRO 28 1HB PRO 28 -1.020 4.003 -4.924 167 1HG PRO 28 2HG PRO 28 -2.198 6.426 -5.190 168 2HG PRO 28 1HG PRO 28 -2.008 5.619 -3.623 169 1HD PRO 28 2HD PRO 28 -0.404 7.846 -4.818 170 2HD PRO 28 1HD PRO 28 -0.931 7.609 -3.138 171 H VAL 29 H VAL 29 2.981 4.010 -4.381 172 HA VAL 29 HA VAL 29 3.664 4.535 -7.177 173 HB VAL 29 HB VAL 29 6.009 5.149 -6.495 174 1HG1 VAL 29 1HG1 VAL 29 4.870 7.446 -5.381 175 2HG1 VAL 29 2HG1 VAL 29 3.644 6.783 -6.463 176 3HG1 VAL 29 3HG1 VAL 29 5.255 7.153 -7.077 177 1HG2 VAL 29 1HG2 VAL 29 5.271 4.362 -4.002 178 2HG2 VAL 29 2HG2 VAL 29 5.129 6.115 -3.866 179 3HG2 VAL 29 3HG2 VAL 29 6.660 5.389 -4.357 Start of MODEL 7 1 H CYS 1 H CYS 1 3.126 2.314 -5.549 2 HA CYS 1 HA CYS 1 5.454 0.527 -5.560 3 1HB CYS 1 2HB CYS 1 2.690 -0.164 -4.543 4 2HB CYS 1 1HB CYS 1 4.224 -0.959 -4.156 5 H GLY 2 H GLY 2 2.473 1.262 -7.167 6 1HA GLY 2 2HA GLY 2 1.542 0.441 -9.110 7 2HA GLY 2 1HA GLY 2 3.087 -0.352 -9.418 8 H GLU 3 H GLU 3 1.290 -0.780 -6.520 9 HA GLU 3 HA GLU 3 0.573 -3.517 -7.292 10 1HB GLU 3 2HB GLU 3 2.556 -3.354 -5.760 11 2HB GLU 3 1HB GLU 3 1.510 -2.588 -4.574 12 1HG GLU 3 2HG GLU 3 0.120 -4.586 -4.518 13 2HG GLU 3 1HG GLU 3 1.187 -5.342 -5.690 14 H THR 4 H THR 4 -1.296 -4.364 -6.274 15 HA THR 4 HA THR 4 -3.080 -2.304 -5.187 16 HB THR 4 HB THR 4 -4.948 -3.859 -5.898 17 HG1 THR 4 HG1 THR 4 -3.245 -4.899 -7.863 18 1HG2 THR 4 1HG2 THR 4 -4.202 -3.224 -8.496 19 2HG2 THR 4 2HG2 THR 4 -3.349 -2.038 -7.510 20 3HG2 THR 4 3HG2 THR 4 -5.102 -2.192 -7.384 21 H CYS 5 H CYS 5 -4.276 -2.773 -3.364 22 HA CYS 5 HA CYS 5 -3.595 -5.323 -2.072 23 1HB CYS 5 2HB CYS 5 -3.674 -4.295 0.107 24 2HB CYS 5 1HB CYS 5 -2.523 -3.442 -0.897 25 H VAL 6 H VAL 6 -5.583 -5.289 -3.736 26 HA VAL 6 HA VAL 6 -8.126 -4.577 -2.841 27 HB VAL 6 HB VAL 6 -7.553 -7.063 -4.455 28 1HG1 VAL 6 1HG1 VAL 6 -9.862 -6.785 -3.777 29 2HG1 VAL 6 2HG1 VAL 6 -9.707 -6.502 -5.512 30 3HG1 VAL 6 3HG1 VAL 6 -9.871 -5.137 -4.406 31 1HG2 VAL 6 1HG2 VAL 6 -7.142 -5.866 -6.359 32 2HG2 VAL 6 2HG2 VAL 6 -6.410 -4.791 -5.168 33 3HG2 VAL 6 3HG2 VAL 6 -8.024 -4.448 -5.791 34 H GLY 7 H GLY 7 -6.061 -7.283 -2.070 35 1HA GLY 7 2HA GLY 7 -8.150 -8.510 -0.421 36 2HA GLY 7 1HA GLY 7 -6.608 -9.241 -0.845 37 H GLY 8 H GLY 8 -6.566 -5.942 0.157 38 1HA GLY 8 2HA GLY 8 -5.757 -4.892 2.023 39 2HA GLY 8 1HA GLY 8 -6.413 -6.233 2.948 40 H THR 9 H THR 9 -3.894 -6.354 0.471 41 HA THR 9 HA THR 9 -1.856 -6.766 2.508 42 HB THR 9 HB THR 9 -1.288 -8.848 0.795 43 HG1 THR 9 HG1 THR 9 -4.081 -8.958 1.393 44 1HG2 THR 9 1HG2 THR 9 -1.372 -10.121 2.684 45 2HG2 THR 9 2HG2 THR 9 -2.938 -9.478 3.180 46 3HG2 THR 9 3HG2 THR 9 -1.472 -8.533 3.443 47 H CYS 10 H CYS 10 0.223 -6.374 1.802 48 HA CYS 10 HA CYS 10 0.597 -5.673 -1.020 49 1HB CYS 10 2HB CYS 10 1.508 -3.998 1.327 50 2HB CYS 10 1HB CYS 10 1.947 -3.708 -0.349 51 H ASN 11 H ASN 11 2.412 -6.411 -1.860 52 HA ASN 11 HA ASN 11 4.152 -8.047 -0.212 53 1HB ASN 11 2HB ASN 11 4.059 -7.547 -3.195 54 2HB ASN 11 1HB ASN 11 5.177 -8.658 -2.410 55 1HD2 ASN 11 1HD2 ASN 11 1.989 -8.135 -3.532 56 2HD2 ASN 11 2HD2 ASN 11 1.369 -9.714 -3.168 57 H THR 12 H THR 12 4.289 -5.060 -2.083 58 HA THR 12 HA THR 12 7.079 -4.705 -2.018 59 HB THR 12 HB THR 12 5.185 -2.389 -1.915 60 HG1 THR 12 HG1 THR 12 4.306 -3.802 -3.484 61 1HG2 THR 12 1HG2 THR 12 6.904 -1.206 -2.778 62 2HG2 THR 12 2HG2 THR 12 7.414 -2.523 -3.834 63 3HG2 THR 12 3HG2 THR 12 7.888 -2.521 -2.135 64 HA PRO 13 HA PRO 13 7.444 -3.999 2.389 65 1HB PRO 13 2HB PRO 13 10.223 -3.311 1.709 66 2HB PRO 13 1HB PRO 13 9.599 -4.563 2.784 67 1HG PRO 13 2HG PRO 13 10.705 -5.165 0.411 68 2HG PRO 13 1HG PRO 13 9.351 -6.097 1.077 69 1HD PRO 13 2HD PRO 13 9.336 -3.980 -1.042 70 2HD PRO 13 1HD PRO 13 8.431 -5.507 -0.969 71 H GLY 14 H GLY 14 6.599 -2.183 3.103 72 1HA GLY 14 2HA GLY 14 7.137 0.041 3.940 73 2HA GLY 14 1HA GLY 14 7.929 0.353 2.400 74 H CYS 15 H CYS 15 5.436 -1.321 1.405 75 HA CYS 15 HA CYS 15 3.898 1.087 0.850 76 1HB CYS 15 2HB CYS 15 3.743 -1.701 -0.296 77 2HB CYS 15 1HB CYS 15 2.704 -0.366 -0.800 78 H THR 16 H THR 16 2.188 1.638 1.907 79 HA THR 16 HA THR 16 0.912 -0.201 3.762 80 HB THR 16 HB THR 16 -0.438 1.962 4.271 81 HG1 THR 16 HG1 THR 16 0.306 3.080 2.359 82 1HG2 THR 16 1HG2 THR 16 2.066 2.803 5.198 83 2HG2 THR 16 2HG2 THR 16 2.167 1.045 5.087 84 3HG2 THR 16 3HG2 THR 16 0.894 1.796 6.049 85 H CYS 17 H CYS 17 -1.249 -0.824 3.619 86 HA CYS 17 HA CYS 17 -2.322 -0.857 0.979 87 1HB CYS 17 2HB CYS 17 -2.670 -2.767 2.459 88 2HB CYS 17 1HB CYS 17 -3.585 -1.756 3.573 89 H SER 18 H SER 18 -3.813 0.305 0.093 90 HA SER 18 HA SER 18 -5.552 2.068 1.602 91 1HB SER 18 2HB SER 18 -3.766 3.102 -0.630 92 2HB SER 18 1HB SER 18 -4.950 4.038 0.284 93 HG SER 18 HG SER 18 -3.396 2.947 2.075 94 H TRP 19 H TRP 19 -6.679 0.139 0.820 95 HA TRP 19 HA TRP 19 -7.157 -0.964 -1.461 96 1HB TRP 19 2HB TRP 19 -8.569 -1.103 0.698 97 2HB TRP 19 1HB TRP 19 -9.616 0.078 -0.093 98 HD1 TRP 19 HD1 TRP 19 -8.676 -3.583 -0.154 99 HE1 TRP 19 HE1 TRP 19 -10.107 -4.817 -1.899 100 HE3 TRP 19 HE3 TRP 19 -10.885 0.451 -2.373 101 HZ2 TRP 19 HZ2 TRP 19 -11.937 -4.154 -3.957 102 HZ3 TRP 19 HZ3 TRP 19 -12.443 0.070 -4.231 103 HH2 TRP 19 HH2 TRP 19 -12.949 -2.176 -5.007 104 HA PRO 20 HA PRO 20 -7.703 -1.728 -2.909 105 1HB PRO 20 2HB PRO 20 -7.926 -2.092 -5.528 106 2HB PRO 20 1HB PRO 20 -9.365 -1.832 -4.535 107 1HG PRO 20 2HG PRO 20 -8.018 0.014 -6.427 108 2HG PRO 20 1HG PRO 20 -9.723 -0.073 -5.962 109 1HD PRO 20 2HD PRO 20 -7.706 1.686 -4.934 110 2HD PRO 20 1HD PRO 20 -9.404 1.568 -4.433 111 H VAL 21 H VAL 21 -5.737 0.676 -3.133 112 HA VAL 21 HA VAL 21 -3.692 -0.802 -4.645 113 HB VAL 21 HB VAL 21 -2.792 1.597 -5.169 114 1HG1 VAL 21 1HG1 VAL 21 -4.122 1.603 -7.251 115 2HG1 VAL 21 2HG1 VAL 21 -5.193 0.390 -6.551 116 3HG1 VAL 21 3HG1 VAL 21 -3.501 -0.001 -6.862 117 1HG2 VAL 21 1HG2 VAL 21 -4.329 2.874 -3.860 118 2HG2 VAL 21 2HG2 VAL 21 -5.714 2.050 -4.580 119 3HG2 VAL 21 3HG2 VAL 21 -4.735 3.151 -5.555 120 H CYS 22 H CYS 22 -1.570 -0.677 -3.988 121 HA CYS 22 HA CYS 22 -1.190 -0.085 -1.182 122 1HB CYS 22 2HB CYS 22 0.671 -1.251 -3.273 123 2HB CYS 22 1HB CYS 22 1.086 -1.058 -1.575 124 H THR 23 H THR 23 -0.472 1.780 -0.433 125 HA THR 23 HA THR 23 0.751 3.687 -2.293 126 HB THR 23 HB THR 23 0.326 5.355 -0.459 127 HG1 THR 23 HG1 THR 23 -1.587 3.917 0.811 128 1HG2 THR 23 1HG2 THR 23 -2.043 5.559 -0.901 129 2HG2 THR 23 2HG2 THR 23 -2.131 3.870 -1.400 130 3HG2 THR 23 3HG2 THR 23 -1.222 5.029 -2.370 131 H ARG 24 H ARG 24 2.658 4.776 -1.773 132 HA ARG 24 HA ARG 24 4.283 3.483 0.312 133 1HB ARG 24 2HB ARG 24 5.044 3.100 -2.052 134 2HB ARG 24 1HB ARG 24 5.263 4.836 -2.212 135 1HG ARG 24 2HG ARG 24 6.977 4.827 -0.527 136 2HG ARG 24 1HG ARG 24 6.692 3.116 -0.197 137 1HD ARG 24 2HD ARG 24 7.662 4.277 -2.807 138 2HD ARG 24 1HD ARG 24 8.659 3.443 -1.617 139 HE ARG 24 HE ARG 24 6.617 1.699 -2.253 140 1HH1 ARG 24 1HH1 ARG 24 9.201 3.314 -3.972 141 2HH1 ARG 24 2HH1 ARG 24 9.379 2.059 -5.151 142 1HH2 ARG 24 1HH2 ARG 24 6.855 0.032 -3.798 143 2HH2 ARG 24 2HH2 ARG 24 8.038 0.186 -5.053 144 H ASN 25 H ASN 25 4.393 4.790 1.996 145 HA ASN 25 HA ASN 25 4.570 6.631 3.306 146 1HB ASN 25 2HB ASN 25 5.825 7.892 0.853 147 2HB ASN 25 1HB ASN 25 5.880 8.556 2.482 148 1HD2 ASN 25 1HD2 ASN 25 7.699 7.088 0.311 149 2HD2 ASN 25 2HD2 ASN 25 8.753 6.175 1.328 150 H GLY 26 H GLY 26 2.160 6.172 1.819 151 1HA GLY 26 2HA GLY 26 0.147 7.386 2.033 152 2HA GLY 26 1HA GLY 26 1.070 8.876 2.008 153 H LEU 27 H LEU 27 2.486 7.623 -0.505 154 HA LEU 27 HA LEU 27 0.275 8.240 -2.350 155 1HB LEU 27 2HB LEU 27 1.859 9.330 -3.868 156 2HB LEU 27 1HB LEU 27 1.760 10.143 -2.321 157 HG LEU 27 HG LEU 27 3.966 8.180 -2.835 158 1HD1 LEU 27 1HD1 LEU 27 5.338 10.135 -3.583 159 2HD1 LEU 27 2HD1 LEU 27 3.839 11.049 -3.748 160 3HD1 LEU 27 3HD1 LEU 27 4.112 9.615 -4.739 161 1HD2 LEU 27 1HD2 LEU 27 3.844 8.912 -0.586 162 2HD2 LEU 27 2HD2 LEU 27 3.574 10.587 -1.070 163 3HD2 LEU 27 3HD2 LEU 27 5.149 9.837 -1.329 164 HA PRO 28 HA PRO 28 1.055 4.248 -4.027 165 1HB PRO 28 2HB PRO 28 -0.132 5.300 -6.513 166 2HB PRO 28 1HB PRO 28 -0.652 3.960 -5.489 167 1HG PRO 28 2HG PRO 28 -1.996 6.282 -5.557 168 2HG PRO 28 1HG PRO 28 -1.842 5.334 -4.065 169 1HD PRO 28 2HD PRO 28 -0.365 7.797 -4.907 170 2HD PRO 28 1HD PRO 28 -0.984 7.345 -3.305 171 H VAL 29 H VAL 29 3.178 3.973 -4.358 172 HA VAL 29 HA VAL 29 4.228 4.664 -7.010 173 HB VAL 29 HB VAL 29 6.000 4.881 -4.572 174 1HG1 VAL 29 1HG1 VAL 29 7.365 6.281 -6.128 175 2HG1 VAL 29 2HG1 VAL 29 6.247 5.837 -7.418 176 3HG1 VAL 29 3HG1 VAL 29 7.203 4.593 -6.614 177 1HG2 VAL 29 1HG2 VAL 29 4.019 6.547 -4.606 178 2HG2 VAL 29 2HG2 VAL 29 4.907 7.316 -5.921 179 3HG2 VAL 29 3HG2 VAL 29 5.651 7.157 -4.330 Start of MODEL 8 1 H CYS 1 H CYS 1 2.853 2.269 -5.461 2 HA CYS 1 HA CYS 1 5.299 0.683 -5.355 3 1HB CYS 1 2HB CYS 1 2.510 -0.110 -4.463 4 2HB CYS 1 1HB CYS 1 4.028 -0.915 -4.041 5 H GLY 2 H GLY 2 2.456 1.134 -7.240 6 1HA GLY 2 2HA GLY 2 1.751 0.159 -9.212 7 2HA GLY 2 1HA GLY 2 3.348 -0.585 -9.322 8 H GLU 3 H GLU 3 1.238 -0.867 -6.618 9 HA GLU 3 HA GLU 3 0.583 -3.641 -7.264 10 1HB GLU 3 2HB GLU 3 2.559 -3.702 -5.870 11 2HB GLU 3 1HB GLU 3 1.833 -2.588 -4.726 12 1HG GLU 3 2HG GLU 3 0.244 -4.231 -4.045 13 2HG GLU 3 1HG GLU 3 0.786 -5.324 -5.310 14 H THR 4 H THR 4 -1.299 -4.385 -6.336 15 HA THR 4 HA THR 4 -3.030 -2.315 -5.174 16 HB THR 4 HB THR 4 -4.923 -3.813 -5.876 17 HG1 THR 4 HG1 THR 4 -3.182 -5.583 -6.269 18 1HG2 THR 4 1HG2 THR 4 -4.103 -3.314 -8.494 19 2HG2 THR 4 2HG2 THR 4 -3.262 -2.101 -7.529 20 3HG2 THR 4 3HG2 THR 4 -5.020 -2.227 -7.450 21 H CYS 5 H CYS 5 -4.210 -2.760 -3.338 22 HA CYS 5 HA CYS 5 -3.577 -5.324 -2.051 23 1HB CYS 5 2HB CYS 5 -3.698 -4.296 0.129 24 2HB CYS 5 1HB CYS 5 -2.521 -3.451 -0.852 25 H VAL 6 H VAL 6 -5.559 -5.239 -3.763 26 HA VAL 6 HA VAL 6 -8.103 -4.529 -2.885 27 HB VAL 6 HB VAL 6 -7.519 -7.001 -4.518 28 1HG1 VAL 6 1HG1 VAL 6 -9.846 -5.085 -4.479 29 2HG1 VAL 6 2HG1 VAL 6 -9.834 -6.730 -3.844 30 3HG1 VAL 6 3HG1 VAL 6 -9.668 -6.454 -5.578 31 1HG2 VAL 6 1HG2 VAL 6 -7.187 -5.759 -6.437 32 2HG2 VAL 6 2HG2 VAL 6 -6.337 -4.793 -5.231 33 3HG2 VAL 6 3HG2 VAL 6 -7.951 -4.319 -5.762 34 H GLY 7 H GLY 7 -6.075 -7.265 -2.115 35 1HA GLY 7 2HA GLY 7 -8.197 -8.452 -0.473 36 2HA GLY 7 1HA GLY 7 -6.694 -9.240 -0.934 37 H GLY 8 H GLY 8 -6.577 -5.952 0.155 38 1HA GLY 8 2HA GLY 8 -5.698 -4.970 2.026 39 2HA GLY 8 1HA GLY 8 -6.352 -6.329 2.928 40 H THR 9 H THR 9 -3.888 -6.389 0.392 41 HA THR 9 HA THR 9 -1.818 -6.925 2.367 42 HB THR 9 HB THR 9 -1.307 -8.917 0.541 43 HG1 THR 9 HG1 THR 9 -4.088 -9.056 1.171 44 1HG2 THR 9 1HG2 THR 9 -2.872 -9.946 2.736 45 2HG2 THR 9 2HG2 THR 9 -1.784 -8.672 3.285 46 3HG2 THR 9 3HG2 THR 9 -1.139 -10.078 2.438 47 H CYS 10 H CYS 10 0.238 -6.505 1.662 48 HA CYS 10 HA CYS 10 0.637 -5.730 -1.133 49 1HB CYS 10 2HB CYS 10 1.522 -4.069 1.240 50 2HB CYS 10 1HB CYS 10 1.922 -3.742 -0.439 51 H ASN 11 H ASN 11 2.509 -6.446 -1.934 52 HA ASN 11 HA ASN 11 4.222 -8.036 -0.206 53 1HB ASN 11 2HB ASN 11 4.271 -7.600 -3.202 54 2HB ASN 11 1HB ASN 11 5.300 -8.728 -2.327 55 1HD2 ASN 11 1HD2 ASN 11 2.261 -8.167 -3.740 56 2HD2 ASN 11 2HD2 ASN 11 1.548 -9.703 -3.363 57 H THR 12 H THR 12 4.260 -5.038 -2.002 58 HA THR 12 HA THR 12 7.040 -4.580 -1.999 59 HB THR 12 HB THR 12 5.102 -2.318 -1.751 60 HG1 THR 12 HG1 THR 12 4.144 -3.750 -3.275 61 1HG2 THR 12 1HG2 THR 12 7.746 -2.323 -2.090 62 2HG2 THR 12 2HG2 THR 12 6.705 -1.108 -2.833 63 3HG2 THR 12 3HG2 THR 12 7.266 -2.486 -3.780 64 HA PRO 13 HA PRO 13 7.466 -3.995 2.424 65 1HB PRO 13 2HB PRO 13 10.216 -3.223 1.716 66 2HB PRO 13 1HB PRO 13 9.641 -4.521 2.764 67 1HG PRO 13 2HG PRO 13 10.719 -5.025 0.355 68 2HG PRO 13 1HG PRO 13 9.401 -6.011 1.017 69 1HD PRO 13 2HD PRO 13 9.294 -3.832 -1.036 70 2HD PRO 13 1HD PRO 13 8.431 -5.385 -0.995 71 H GLY 14 H GLY 14 6.617 -2.221 3.229 72 1HA GLY 14 2HA GLY 14 7.069 -0.011 4.103 73 2HA GLY 14 1HA GLY 14 7.890 0.358 2.592 74 H CYS 15 H CYS 15 5.403 -1.327 1.528 75 HA CYS 15 HA CYS 15 3.880 1.095 0.987 76 1HB CYS 15 2HB CYS 15 3.777 -1.673 -0.202 77 2HB CYS 15 1HB CYS 15 2.650 -0.391 -0.644 78 H THR 16 H THR 16 2.148 1.642 2.014 79 HA THR 16 HA THR 16 0.849 -0.203 3.847 80 HB THR 16 HB THR 16 -0.517 1.972 4.320 81 HG1 THR 16 HG1 THR 16 0.300 3.110 2.464 82 1HG2 THR 16 1HG2 THR 16 0.836 1.359 6.068 83 2HG2 THR 16 2HG2 THR 16 1.618 2.866 5.592 84 3HG2 THR 16 3HG2 THR 16 2.290 1.320 5.073 85 H CYS 17 H CYS 17 -1.316 -0.825 3.672 86 HA CYS 17 HA CYS 17 -2.344 -0.856 1.015 87 1HB CYS 17 2HB CYS 17 -2.725 -2.763 2.492 88 2HB CYS 17 1HB CYS 17 -3.656 -1.746 3.588 89 H SER 18 H SER 18 -3.825 0.305 0.100 90 HA SER 18 HA SER 18 -5.579 2.079 1.578 91 1HB SER 18 2HB SER 18 -3.758 3.104 -0.627 92 2HB SER 18 1HB SER 18 -4.948 4.047 0.272 93 HG SER 18 HG SER 18 -3.426 2.950 2.084 94 H TRP 19 H TRP 19 -6.705 0.153 0.776 95 HA TRP 19 HA TRP 19 -7.163 -0.941 -1.514 96 1HB TRP 19 2HB TRP 19 -8.605 -1.066 0.630 97 2HB TRP 19 1HB TRP 19 -9.632 0.119 -0.179 98 HD1 TRP 19 HD1 TRP 19 -8.728 -3.548 -0.203 99 HE1 TRP 19 HE1 TRP 19 -10.140 -4.780 -1.965 100 HE3 TRP 19 HE3 TRP 19 -10.852 0.492 -2.493 101 HZ2 TRP 19 HZ2 TRP 19 -11.924 -4.114 -4.062 102 HZ3 TRP 19 HZ3 TRP 19 -12.379 0.114 -4.377 103 HH2 TRP 19 HH2 TRP 19 -12.896 -2.134 -5.145 104 HA PRO 20 HA PRO 20 -7.700 -1.695 -2.974 105 1HB PRO 20 2HB PRO 20 -7.876 -2.048 -5.598 106 2HB PRO 20 1HB PRO 20 -9.331 -1.781 -4.629 107 1HG PRO 20 2HG PRO 20 -7.932 0.064 -6.486 108 2HG PRO 20 1HG PRO 20 -9.649 -0.014 -6.059 109 1HD PRO 20 2HD PRO 20 -7.649 1.731 -4.982 110 2HD PRO 20 1HD PRO 20 -9.355 1.612 -4.510 111 H VAL 21 H VAL 21 -5.731 0.738 -3.223 112 HA VAL 21 HA VAL 21 -3.653 -0.784 -4.652 113 HB VAL 21 HB VAL 21 -2.734 1.602 -5.202 114 1HG1 VAL 21 1HG1 VAL 21 -5.116 0.382 -6.606 115 2HG1 VAL 21 2HG1 VAL 21 -3.420 -0.019 -6.880 116 3HG1 VAL 21 3HG1 VAL 21 -4.027 1.580 -7.308 117 1HG2 VAL 21 1HG2 VAL 21 -5.665 2.086 -4.685 118 2HG2 VAL 21 2HG2 VAL 21 -4.651 3.164 -5.646 119 3HG2 VAL 21 3HG2 VAL 21 -4.292 2.906 -3.939 120 H CYS 22 H CYS 22 -1.550 -0.661 -3.943 121 HA CYS 22 HA CYS 22 -1.240 -0.039 -1.137 122 1HB CYS 22 2HB CYS 22 0.711 -1.154 -3.171 123 2HB CYS 22 1HB CYS 22 1.027 -1.017 -1.446 124 H THR 23 H THR 23 -0.451 1.791 -0.339 125 HA THR 23 HA THR 23 0.751 3.724 -2.188 126 HB THR 23 HB THR 23 0.376 5.363 -0.312 127 HG1 THR 23 HG1 THR 23 -1.572 3.906 0.910 128 1HG2 THR 23 1HG2 THR 23 -1.175 5.182 -2.207 129 2HG2 THR 23 2HG2 THR 23 -2.025 5.581 -0.714 130 3HG2 THR 23 3HG2 THR 23 -2.080 3.936 -1.348 131 H ARG 24 H ARG 24 2.695 4.720 -1.738 132 HA ARG 24 HA ARG 24 4.299 3.466 0.388 133 1HB ARG 24 2HB ARG 24 4.980 2.909 -1.980 134 2HB ARG 24 1HB ARG 24 5.323 4.616 -2.215 135 1HG ARG 24 2HG ARG 24 7.016 4.519 -0.456 136 2HG ARG 24 1HG ARG 24 6.671 2.803 -0.225 137 1HD ARG 24 2HD ARG 24 7.694 4.091 -2.754 138 2HD ARG 24 1HD ARG 24 8.640 3.115 -1.630 139 HE ARG 24 HE ARG 24 6.552 1.502 -2.368 140 1HH1 ARG 24 1HH1 ARG 24 9.057 3.240 -4.082 141 2HH1 ARG 24 2HH1 ARG 24 9.156 2.093 -5.375 142 1HH2 ARG 24 1HH2 ARG 24 6.688 -0.031 -4.068 143 2HH2 ARG 24 2HH2 ARG 24 7.801 0.229 -5.369 144 H ASN 25 H ASN 25 4.654 4.859 1.963 145 HA ASN 25 HA ASN 25 4.979 6.770 3.137 146 1HB ASN 25 2HB ASN 25 6.067 7.824 0.514 147 2HB ASN 25 1HB ASN 25 6.256 8.608 2.077 148 1HD2 ASN 25 1HD2 ASN 25 7.871 6.914 -0.097 149 2HD2 ASN 25 2HD2 ASN 25 8.978 6.056 0.914 150 H GLY 26 H GLY 26 2.446 6.297 1.862 151 1HA GLY 26 2HA GLY 26 0.472 7.540 2.133 152 2HA GLY 26 1HA GLY 26 1.415 9.014 2.056 153 H LEU 27 H LEU 27 2.609 7.566 -0.545 154 HA LEU 27 HA LEU 27 0.335 8.345 -2.245 155 1HB LEU 27 2HB LEU 27 1.866 9.306 -3.884 156 2HB LEU 27 1HB LEU 27 1.970 10.127 -2.341 157 HG LEU 27 HG LEU 27 3.952 7.978 -2.964 158 1HD1 LEU 27 1HD1 LEU 27 3.548 10.045 -4.740 159 2HD1 LEU 27 2HD1 LEU 27 5.037 9.119 -4.547 160 3HD1 LEU 27 3HD1 LEU 27 4.834 10.652 -3.698 161 1HD2 LEU 27 1HD2 LEU 27 5.273 10.015 -1.780 162 2HD2 LEU 27 2HD2 LEU 27 4.483 8.711 -0.894 163 3HD2 LEU 27 3HD2 LEU 27 3.658 10.254 -1.115 164 HA PRO 28 HA PRO 28 0.783 4.311 -3.955 165 1HB PRO 28 2HB PRO 28 -0.629 5.311 -6.319 166 2HB PRO 28 1HB PRO 28 -1.119 4.090 -5.144 167 1HG PRO 28 2HG PRO 28 -2.287 6.522 -5.271 168 2HG PRO 28 1HG PRO 28 -2.101 5.634 -3.747 169 1HD PRO 28 2HD PRO 28 -0.488 7.916 -4.823 170 2HD PRO 28 1HD PRO 28 -1.024 7.596 -3.160 171 H VAL 29 H VAL 29 2.855 4.013 -4.495 172 HA VAL 29 HA VAL 29 3.590 4.488 -7.272 173 HB VAL 29 HB VAL 29 5.922 5.184 -6.574 174 1HG1 VAL 29 1HG1 VAL 29 3.505 6.803 -6.614 175 2HG1 VAL 29 2HG1 VAL 29 5.060 7.067 -7.402 176 3HG1 VAL 29 3HG1 VAL 29 4.828 7.557 -5.725 177 1HG2 VAL 29 1HG2 VAL 29 6.309 4.886 -4.375 178 2HG2 VAL 29 2HG2 VAL 29 4.615 5.104 -3.937 179 3HG2 VAL 29 3HG2 VAL 29 5.634 6.510 -4.245 Start of MODEL 9 1 H CYS 1 H CYS 1 3.290 2.396 -5.042 2 HA CYS 1 HA CYS 1 5.438 0.549 -5.486 3 1HB CYS 1 2HB CYS 1 2.684 -0.159 -4.458 4 2HB CYS 1 1HB CYS 1 4.228 -0.931 -4.079 5 H GLY 2 H GLY 2 2.402 1.347 -6.974 6 1HA GLY 2 2HA GLY 2 1.423 0.616 -8.929 7 2HA GLY 2 1HA GLY 2 2.959 -0.161 -9.309 8 H GLU 3 H GLU 3 1.451 -0.802 -6.345 9 HA GLU 3 HA GLU 3 0.661 -3.490 -7.213 10 1HB GLU 3 2HB GLU 3 2.604 -3.524 -5.762 11 2HB GLU 3 1HB GLU 3 1.795 -2.494 -4.595 12 1HG GLU 3 2HG GLU 3 0.208 -4.270 -4.115 13 2HG GLU 3 1HG GLU 3 1.002 -5.293 -5.309 14 H THR 4 H THR 4 -1.211 -4.366 -6.209 15 HA THR 4 HA THR 4 -3.008 -2.314 -5.120 16 HB THR 4 HB THR 4 -4.868 -3.866 -5.854 17 HG1 THR 4 HG1 THR 4 -3.000 -4.908 -7.710 18 1HG2 THR 4 1HG2 THR 4 -4.084 -3.227 -8.444 19 2HG2 THR 4 2HG2 THR 4 -3.257 -2.038 -7.437 20 3HG2 THR 4 3HG2 THR 4 -5.011 -2.206 -7.344 21 H CYS 5 H CYS 5 -4.223 -2.775 -3.318 22 HA CYS 5 HA CYS 5 -3.567 -5.323 -2.011 23 1HB CYS 5 2HB CYS 5 -3.718 -4.284 0.166 24 2HB CYS 5 1HB CYS 5 -2.530 -3.447 -0.809 25 H VAL 6 H VAL 6 -5.526 -5.275 -3.733 26 HA VAL 6 HA VAL 6 -8.088 -4.586 -2.877 27 HB VAL 6 HB VAL 6 -7.472 -7.056 -4.499 28 1HG1 VAL 6 1HG1 VAL 6 -9.795 -6.791 -3.852 29 2HG1 VAL 6 2HG1 VAL 6 -9.611 -6.515 -5.585 30 3HG1 VAL 6 3HG1 VAL 6 -9.805 -5.145 -4.489 31 1HG2 VAL 6 1HG2 VAL 6 -6.582 -5.826 -6.120 32 2HG2 VAL 6 2HG2 VAL 6 -6.700 -4.395 -5.097 33 3HG2 VAL 6 3HG2 VAL 6 -8.032 -4.823 -6.171 34 H GLY 7 H GLY 7 -6.027 -7.292 -2.096 35 1HA GLY 7 2HA GLY 7 -8.136 -8.529 -0.477 36 2HA GLY 7 1HA GLY 7 -6.595 -9.265 -0.899 37 H GLY 8 H GLY 8 -6.575 -5.972 0.145 38 1HA GLY 8 2HA GLY 8 -5.778 -4.940 2.024 39 2HA GLY 8 1HA GLY 8 -6.423 -6.299 2.931 40 H THR 9 H THR 9 -3.897 -6.378 0.458 41 HA THR 9 HA THR 9 -1.852 -6.766 2.486 42 HB THR 9 HB THR 9 -1.262 -8.872 0.835 43 HG1 THR 9 HG1 THR 9 -4.066 -9.008 1.355 44 1HG2 THR 9 1HG2 THR 9 -2.154 -10.291 2.729 45 2HG2 THR 9 2HG2 THR 9 -2.743 -8.798 3.457 46 3HG2 THR 9 3HG2 THR 9 -1.015 -9.027 3.193 47 H CYS 10 H CYS 10 0.210 -6.357 1.776 48 HA CYS 10 HA CYS 10 0.604 -5.716 -1.060 49 1HB CYS 10 2HB CYS 10 1.532 -3.992 1.253 50 2HB CYS 10 1HB CYS 10 1.900 -3.713 -0.443 51 H ASN 11 H ASN 11 2.532 -6.403 -1.856 52 HA ASN 11 HA ASN 11 4.215 -7.945 -0.036 53 1HB ASN 11 2HB ASN 11 4.091 -7.760 -3.047 54 2HB ASN 11 1HB ASN 11 5.367 -8.631 -2.206 55 1HD2 ASN 11 1HD2 ASN 11 2.582 -8.846 -0.414 56 2HD2 ASN 11 2HD2 ASN 11 2.007 -10.369 -0.991 57 H THR 12 H THR 12 4.278 -5.053 -1.991 58 HA THR 12 HA THR 12 7.059 -4.613 -2.021 59 HB THR 12 HB THR 12 5.173 -2.308 -1.829 60 HG1 THR 12 HG1 THR 12 4.054 -3.700 -3.220 61 1HG2 THR 12 1HG2 THR 12 7.343 -2.782 -3.854 62 2HG2 THR 12 2HG2 THR 12 7.722 -2.214 -2.229 63 3HG2 THR 12 3HG2 THR 12 6.679 -1.253 -3.277 64 HA PRO 13 HA PRO 13 7.551 -3.882 2.368 65 1HB PRO 13 2HB PRO 13 10.259 -3.059 1.563 66 2HB PRO 13 1HB PRO 13 9.748 -4.319 2.690 67 1HG PRO 13 2HG PRO 13 10.776 -4.921 0.285 68 2HG PRO 13 1HG PRO 13 9.489 -5.896 1.019 69 1HD PRO 13 2HD PRO 13 9.306 -3.826 -1.137 70 2HD PRO 13 1HD PRO 13 8.460 -5.383 -0.992 71 H GLY 14 H GLY 14 6.710 -2.119 3.181 72 1HA GLY 14 2HA GLY 14 7.061 0.101 4.010 73 2HA GLY 14 1HA GLY 14 7.930 0.474 2.528 74 H CYS 15 H CYS 15 5.335 -1.309 1.629 75 HA CYS 15 HA CYS 15 3.881 1.125 0.918 76 1HB CYS 15 2HB CYS 15 3.729 -1.685 -0.172 77 2HB CYS 15 1HB CYS 15 2.680 -0.367 -0.701 78 H THR 16 H THR 16 2.150 1.715 1.919 79 HA THR 16 HA THR 16 0.848 -0.060 3.814 80 HB THR 16 HB THR 16 -0.506 2.158 4.189 81 HG1 THR 16 HG1 THR 16 0.299 3.281 2.373 82 1HG2 THR 16 1HG2 THR 16 2.417 2.078 4.935 83 2HG2 THR 16 2HG2 THR 16 1.169 1.121 5.732 84 3HG2 THR 16 3HG2 THR 16 1.112 2.882 5.806 85 H CYS 17 H CYS 17 -1.289 -0.736 3.639 86 HA CYS 17 HA CYS 17 -2.344 -0.808 0.996 87 1HB CYS 17 2HB CYS 17 -2.702 -2.695 2.503 88 2HB CYS 17 1HB CYS 17 -3.626 -1.668 3.595 89 H SER 18 H SER 18 -3.836 0.338 0.079 90 HA SER 18 HA SER 18 -5.579 2.130 1.550 91 1HB SER 18 2HB SER 18 -3.790 3.128 -0.695 92 2HB SER 18 1HB SER 18 -4.954 4.082 0.226 93 HG SER 18 HG SER 18 -3.407 3.003 2.018 94 H TRP 19 H TRP 19 -6.680 0.163 0.775 95 HA TRP 19 HA TRP 19 -7.151 -0.951 -1.498 96 1HB TRP 19 2HB TRP 19 -8.569 -1.083 0.660 97 2HB TRP 19 1HB TRP 19 -9.624 0.080 -0.146 98 HD1 TRP 19 HD1 TRP 19 -8.651 -3.572 -0.163 99 HE1 TRP 19 HE1 TRP 19 -10.059 -4.839 -1.904 100 HE3 TRP 19 HE3 TRP 19 -10.880 0.417 -2.442 101 HZ2 TRP 19 HZ2 TRP 19 -11.880 -4.214 -3.981 102 HZ3 TRP 19 HZ3 TRP 19 -12.421 0.002 -4.306 103 HH2 TRP 19 HH2 TRP 19 -12.902 -2.257 -5.060 104 HA PRO 20 HA PRO 20 -7.698 -1.729 -2.942 105 1HB PRO 20 2HB PRO 20 -7.882 -2.107 -5.563 106 2HB PRO 20 1HB PRO 20 -9.335 -1.854 -4.589 107 1HG PRO 20 2HG PRO 20 -7.972 -0.002 -6.467 108 2HG PRO 20 1HG PRO 20 -9.687 -0.106 -6.034 109 1HD PRO 20 2HD PRO 20 -7.715 1.683 -4.980 110 2HD PRO 20 1HD PRO 20 -9.416 1.534 -4.495 111 H VAL 21 H VAL 21 -5.763 0.721 -3.210 112 HA VAL 21 HA VAL 21 -3.674 -0.774 -4.650 113 HB VAL 21 HB VAL 21 -2.792 1.624 -5.205 114 1HG1 VAL 21 1HG1 VAL 21 -5.169 0.372 -6.591 115 2HG1 VAL 21 2HG1 VAL 21 -3.470 -0.006 -6.880 116 3HG1 VAL 21 3HG1 VAL 21 -4.102 1.586 -7.301 117 1HG2 VAL 21 1HG2 VAL 21 -4.351 2.913 -3.936 118 2HG2 VAL 21 2HG2 VAL 21 -5.723 2.062 -4.651 119 3HG2 VAL 21 3HG2 VAL 21 -4.746 3.152 -5.639 120 H CYS 22 H CYS 22 -1.585 -0.657 -3.938 121 HA CYS 22 HA CYS 22 -1.247 -0.002 -1.144 122 1HB CYS 22 2HB CYS 22 0.673 -1.148 -3.184 123 2HB CYS 22 1HB CYS 22 1.015 -0.991 -1.470 124 H THR 23 H THR 23 -0.495 1.864 -0.402 125 HA THR 23 HA THR 23 0.666 3.765 -2.289 126 HB THR 23 HB THR 23 0.432 5.383 -0.352 127 HG1 THR 23 HG1 THR 23 -1.524 3.919 0.871 128 1HG2 THR 23 1HG2 THR 23 -1.202 5.078 -2.274 129 2HG2 THR 23 2HG2 THR 23 -1.846 5.825 -0.813 130 3HG2 THR 23 3HG2 THR 23 -2.186 4.130 -1.161 131 H ARG 24 H ARG 24 2.639 4.727 -1.985 132 HA ARG 24 HA ARG 24 4.472 3.279 -0.221 133 1HB ARG 24 2HB ARG 24 4.749 3.961 -2.845 134 2HB ARG 24 1HB ARG 24 5.511 5.344 -2.076 135 1HG ARG 24 2HG ARG 24 6.282 2.455 -1.721 136 2HG ARG 24 1HG ARG 24 7.154 3.667 -2.660 137 1HD ARG 24 2HD ARG 24 7.496 4.966 -0.583 138 2HD ARG 24 1HD ARG 24 6.706 3.679 0.323 139 HE ARG 24 HE ARG 24 9.404 3.748 -0.488 140 1HH1 ARG 24 1HH1 ARG 24 6.735 1.483 -0.286 141 2HH1 ARG 24 2HH1 ARG 24 7.762 0.108 -0.028 142 1HH2 ARG 24 1HH2 ARG 24 10.749 1.918 -0.155 143 2HH2 ARG 24 2HH2 ARG 24 10.026 0.354 0.050 144 H ASN 25 H ASN 25 4.360 4.158 1.724 145 HA ASN 25 HA ASN 25 4.219 5.611 3.428 146 1HB ASN 25 2HB ASN 25 5.938 7.323 3.553 147 2HB ASN 25 1HB ASN 25 6.593 5.842 2.879 148 1HD2 ASN 25 1HD2 ASN 25 7.914 6.129 1.247 149 2HD2 ASN 25 2HD2 ASN 25 7.905 7.454 0.140 150 H GLY 26 H GLY 26 2.193 6.021 1.403 151 1HA GLY 26 2HA GLY 26 0.472 7.698 2.136 152 2HA GLY 26 1HA GLY 26 1.713 8.900 1.842 153 H LEU 27 H LEU 27 2.622 7.583 -0.673 154 HA LEU 27 HA LEU 27 0.240 8.153 -2.312 155 1HB LEU 27 2HB LEU 27 1.615 9.314 -3.951 156 2HB LEU 27 1HB LEU 27 1.692 10.098 -2.387 157 HG LEU 27 HG LEU 27 3.853 8.202 -3.277 158 1HD1 LEU 27 1HD1 LEU 27 4.340 9.614 -4.937 159 2HD1 LEU 27 2HD1 LEU 27 4.847 10.735 -3.674 160 3HD1 LEU 27 3HD1 LEU 27 3.218 10.837 -4.342 161 1HD2 LEU 27 1HD2 LEU 27 5.012 10.158 -1.809 162 2HD2 LEU 27 2HD2 LEU 27 4.406 8.646 -1.136 163 3HD2 LEU 27 3HD2 LEU 27 3.413 10.101 -1.070 164 HA PRO 28 HA PRO 28 0.939 4.210 -4.130 165 1HB PRO 28 2HB PRO 28 -0.326 5.358 -6.543 166 2HB PRO 28 1HB PRO 28 -0.797 3.959 -5.575 167 1HG PRO 28 2HG PRO 28 -2.179 6.247 -5.467 168 2HG PRO 28 1HG PRO 28 -1.933 5.246 -4.023 169 1HD PRO 28 2HD PRO 28 -0.549 7.771 -4.841 170 2HD PRO 28 1HD PRO 28 -1.077 7.245 -3.229 171 H VAL 29 H VAL 29 3.045 3.951 -4.518 172 HA VAL 29 HA VAL 29 4.068 4.768 -7.150 173 HB VAL 29 HB VAL 29 5.742 4.821 -4.620 174 1HG1 VAL 29 1HG1 VAL 29 7.529 5.515 -5.878 175 2HG1 VAL 29 2HG1 VAL 29 6.512 6.170 -7.162 176 3HG1 VAL 29 3HG1 VAL 29 6.733 4.426 -7.014 177 1HG2 VAL 29 1HG2 VAL 29 5.336 7.007 -4.292 178 2HG2 VAL 29 2HG2 VAL 29 3.847 6.668 -5.177 179 3HG2 VAL 29 3HG2 VAL 29 5.236 7.354 -6.019 Start of MODEL 10 1 H CYS 1 H CYS 1 3.230 2.239 -5.766 2 HA CYS 1 HA CYS 1 5.467 0.355 -5.436 3 1HB CYS 1 2HB CYS 1 2.623 -0.143 -4.518 4 2HB CYS 1 1HB CYS 1 4.078 -1.044 -4.085 5 H GLY 2 H GLY 2 2.507 1.168 -7.086 6 1HA GLY 2 2HA GLY 2 1.584 0.372 -9.046 7 2HA GLY 2 1HA GLY 2 3.121 -0.437 -9.349 8 H GLU 3 H GLU 3 1.376 -0.891 -6.443 9 HA GLU 3 HA GLU 3 0.579 -3.600 -7.238 10 1HB GLU 3 2HB GLU 3 2.514 -3.731 -5.811 11 2HB GLU 3 1HB GLU 3 1.810 -2.601 -4.669 12 1HG GLU 3 2HG GLU 3 0.112 -4.241 -4.085 13 2HG GLU 3 1HG GLU 3 0.809 -5.366 -5.246 14 H THR 4 H THR 4 -1.312 -4.388 -6.279 15 HA THR 4 HA THR 4 -3.046 -2.303 -5.149 16 HB THR 4 HB THR 4 -4.943 -3.816 -5.878 17 HG1 THR 4 HG1 THR 4 -3.154 -4.883 -7.783 18 1HG2 THR 4 1HG2 THR 4 -4.149 -3.180 -8.472 19 2HG2 THR 4 2HG2 THR 4 -3.319 -2.001 -7.454 20 3HG2 THR 4 3HG2 THR 4 -5.075 -2.158 -7.371 21 H CYS 5 H CYS 5 -4.259 -2.762 -3.335 22 HA CYS 5 HA CYS 5 -3.609 -5.324 -2.053 23 1HB CYS 5 2HB CYS 5 -3.732 -4.306 0.128 24 2HB CYS 5 1HB CYS 5 -2.569 -3.441 -0.852 25 H VAL 6 H VAL 6 -5.568 -5.281 -3.760 26 HA VAL 6 HA VAL 6 -8.129 -4.593 -2.898 27 HB VAL 6 HB VAL 6 -7.506 -7.054 -4.534 28 1HG1 VAL 6 1HG1 VAL 6 -9.655 -6.526 -5.606 29 2HG1 VAL 6 2HG1 VAL 6 -9.853 -5.162 -4.504 30 3HG1 VAL 6 3HG1 VAL 6 -9.828 -6.810 -3.874 31 1HG2 VAL 6 1HG2 VAL 6 -7.923 -4.336 -5.728 32 2HG2 VAL 6 2HG2 VAL 6 -7.241 -5.783 -6.469 33 3HG2 VAL 6 3HG2 VAL 6 -6.314 -4.889 -5.264 34 H GLY 7 H GLY 7 -6.056 -7.288 -2.121 35 1HA GLY 7 2HA GLY 7 -8.158 -8.551 -0.515 36 2HA GLY 7 1HA GLY 7 -6.602 -9.263 -0.920 37 H GLY 8 H GLY 8 -6.612 -5.972 0.102 38 1HA GLY 8 2HA GLY 8 -5.848 -4.921 1.983 39 2HA GLY 8 1HA GLY 8 -6.494 -6.278 2.893 40 H THR 9 H THR 9 -3.940 -6.368 0.447 41 HA THR 9 HA THR 9 -1.915 -6.715 2.503 42 HB THR 9 HB THR 9 -1.298 -8.841 0.881 43 HG1 THR 9 HG1 THR 9 -4.107 -8.963 1.390 44 1HG2 THR 9 1HG2 THR 9 -2.564 -8.550 3.562 45 2HG2 THR 9 2HG2 THR 9 -0.993 -9.220 3.124 46 3HG2 THR 9 3HG2 THR 9 -2.459 -10.163 2.856 47 H CYS 10 H CYS 10 0.155 -6.309 1.809 48 HA CYS 10 HA CYS 10 0.571 -5.698 -1.031 49 1HB CYS 10 2HB CYS 10 1.490 -3.958 1.272 50 2HB CYS 10 1HB CYS 10 1.867 -3.695 -0.425 51 H ASN 11 H ASN 11 2.488 -6.411 -1.810 52 HA ASN 11 HA ASN 11 4.186 -7.896 0.055 53 1HB ASN 11 2HB ASN 11 3.962 -7.887 -2.953 54 2HB ASN 11 1HB ASN 11 5.281 -8.696 -2.116 55 1HD2 ASN 11 1HD2 ASN 11 2.584 -8.832 -0.191 56 2HD2 ASN 11 2HD2 ASN 11 1.999 -10.389 -0.657 57 H THR 12 H THR 12 4.209 -5.092 -2.012 58 HA THR 12 HA THR 12 6.990 -4.695 -2.182 59 HB THR 12 HB THR 12 5.147 -2.355 -1.990 60 HG1 THR 12 HG1 THR 12 3.942 -3.780 -3.275 61 1HG2 THR 12 1HG2 THR 12 7.047 -1.433 -2.741 62 2HG2 THR 12 2HG2 THR 12 6.680 -2.199 -4.287 63 3HG2 THR 12 3HG2 THR 12 7.746 -3.003 -3.136 64 HA PRO 13 HA PRO 13 7.771 -3.757 2.106 65 1HB PRO 13 2HB PRO 13 10.374 -2.850 1.097 66 2HB PRO 13 1HB PRO 13 9.997 -4.106 2.276 67 1HG PRO 13 2HG PRO 13 10.884 -4.707 -0.189 68 2HG PRO 13 1HG PRO 13 9.704 -5.728 0.657 69 1HD PRO 13 2HD PRO 13 9.263 -3.723 -1.521 70 2HD PRO 13 1HD PRO 13 8.504 -5.311 -1.278 71 H GLY 14 H GLY 14 6.953 -2.015 2.945 72 1HA GLY 14 2HA GLY 14 7.212 0.225 3.702 73 2HA GLY 14 1HA GLY 14 8.029 0.605 2.192 74 H CYS 15 H CYS 15 5.360 -1.322 1.635 75 HA CYS 15 HA CYS 15 3.837 1.059 0.835 76 1HB CYS 15 2HB CYS 15 3.720 -1.773 -0.196 77 2HB CYS 15 1HB CYS 15 2.670 -0.465 -0.745 78 H THR 16 H THR 16 2.093 1.597 1.841 79 HA THR 16 HA THR 16 0.860 -0.222 3.758 80 HB THR 16 HB THR 16 -0.482 1.962 4.252 81 HG1 THR 16 HG1 THR 16 0.288 3.097 2.380 82 1HG2 THR 16 1HG2 THR 16 1.001 1.174 5.896 83 2HG2 THR 16 2HG2 THR 16 1.509 2.836 5.595 84 3HG2 THR 16 3HG2 THR 16 2.417 1.496 4.895 85 H CYS 17 H CYS 17 -1.298 -0.851 3.618 86 HA CYS 17 HA CYS 17 -2.386 -0.878 0.988 87 1HB CYS 17 2HB CYS 17 -2.733 -2.783 2.476 88 2HB CYS 17 1HB CYS 17 -3.644 -1.766 3.588 89 H SER 18 H SER 18 -3.883 0.276 0.104 90 HA SER 18 HA SER 18 -5.623 2.044 1.603 91 1HB SER 18 2HB SER 18 -3.833 3.079 -0.623 92 2HB SER 18 1HB SER 18 -5.022 4.014 0.285 93 HG SER 18 HG SER 18 -3.465 2.924 2.080 94 H TRP 19 H TRP 19 -6.727 0.092 0.805 95 HA TRP 19 HA TRP 19 -7.199 -0.995 -1.483 96 1HB TRP 19 2HB TRP 19 -8.611 -1.156 0.675 97 2HB TRP 19 1HB TRP 19 -9.667 0.019 -0.111 98 HD1 TRP 19 HD1 TRP 19 -8.705 -3.633 -0.180 99 HE1 TRP 19 HE1 TRP 19 -10.122 -4.873 -1.933 100 HE3 TRP 19 HE3 TRP 19 -10.927 0.392 -2.402 101 HZ2 TRP 19 HZ2 TRP 19 -11.946 -4.217 -3.997 102 HZ3 TRP 19 HZ3 TRP 19 -12.475 0.005 -4.267 103 HH2 TRP 19 HH2 TRP 19 -12.967 -2.244 -5.048 104 HA PRO 20 HA PRO 20 -7.745 -1.754 -2.940 105 1HB PRO 20 2HB PRO 20 -7.946 -2.099 -5.562 106 2HB PRO 20 1HB PRO 20 -9.394 -1.850 -4.580 107 1HG PRO 20 2HG PRO 20 -8.025 0.021 -6.435 108 2HG PRO 20 1HG PRO 20 -9.740 -0.087 -6.010 109 1HD PRO 20 2HD PRO 20 -7.776 1.690 -4.928 110 2HD PRO 20 1HD PRO 20 -9.475 1.528 -4.442 111 H VAL 21 H VAL 21 -5.815 0.704 -3.186 112 HA VAL 21 HA VAL 21 -3.730 -0.771 -4.657 113 HB VAL 21 HB VAL 21 -2.856 1.635 -5.190 114 1HG1 VAL 21 1HG1 VAL 21 -5.239 0.401 -6.580 115 2HG1 VAL 21 2HG1 VAL 21 -3.543 0.021 -6.878 116 3HG1 VAL 21 3HG1 VAL 21 -4.172 1.619 -7.280 117 1HG2 VAL 21 1HG2 VAL 21 -4.818 3.164 -5.597 118 2HG2 VAL 21 2HG2 VAL 21 -4.407 2.909 -3.901 119 3HG2 VAL 21 3HG2 VAL 21 -5.783 2.062 -4.611 120 H CYS 22 H CYS 22 -1.627 -0.634 -3.962 121 HA CYS 22 HA CYS 22 -1.294 -0.013 -1.158 122 1HB CYS 22 2HB CYS 22 0.614 -1.146 -3.218 123 2HB CYS 22 1HB CYS 22 0.987 -0.976 -1.509 124 H THR 23 H THR 23 -0.607 1.869 -0.409 125 HA THR 23 HA THR 23 0.637 3.772 -2.258 126 HB THR 23 HB THR 23 0.248 5.439 -0.420 127 HG1 THR 23 HG1 THR 23 -1.671 3.980 0.856 128 1HG2 THR 23 1HG2 THR 23 -1.744 4.114 -2.076 129 2HG2 THR 23 2HG2 THR 23 -1.499 5.833 -1.762 130 3HG2 THR 23 3HG2 THR 23 -2.456 4.860 -0.645 131 H ARG 24 H ARG 24 2.590 4.773 -1.780 132 HA ARG 24 HA ARG 24 4.171 3.402 0.279 133 1HB ARG 24 2HB ARG 24 4.748 3.496 -2.351 134 2HB ARG 24 1HB ARG 24 5.529 4.985 -1.832 135 1HG ARG 24 2HG ARG 24 7.018 3.870 -0.444 136 2HG ARG 24 1HG ARG 24 6.024 2.413 -0.390 137 1HD ARG 24 2HD ARG 24 6.472 2.269 -2.917 138 2HD ARG 24 1HD ARG 24 7.773 3.419 -2.607 139 HE ARG 24 HE ARG 24 8.079 1.362 -0.780 140 1HH1 ARG 24 1HH1 ARG 24 8.080 1.724 -4.256 141 2HH1 ARG 24 2HH1 ARG 24 9.195 0.424 -4.523 142 1HH2 ARG 24 1HH2 ARG 24 9.524 -0.371 -1.105 143 2HH2 ARG 24 2HH2 ARG 24 10.025 -0.774 -2.718 144 H ASN 25 H ASN 25 4.384 4.551 2.010 145 HA ASN 25 HA ASN 25 4.353 6.242 3.487 146 1HB ASN 25 2HB ASN 25 6.079 7.943 3.218 147 2HB ASN 25 1HB ASN 25 6.678 6.355 2.774 148 1HD2 ASN 25 1HD2 ASN 25 7.812 6.250 0.981 149 2HD2 ASN 25 2HD2 ASN 25 7.776 7.391 -0.315 150 H GLY 26 H GLY 26 2.165 6.386 1.614 151 1HA GLY 26 2HA GLY 26 0.487 8.129 2.162 152 2HA GLY 26 1HA GLY 26 1.716 9.303 1.740 153 H LEU 27 H LEU 27 2.517 7.646 -0.665 154 HA LEU 27 HA LEU 27 0.108 8.024 -2.298 155 1HB LEU 27 2HB LEU 27 1.294 9.250 -4.004 156 2HB LEU 27 1HB LEU 27 1.412 10.094 -2.476 157 HG LEU 27 HG LEU 27 3.640 8.324 -3.459 158 1HD1 LEU 27 1HD1 LEU 27 3.434 9.827 -5.244 159 2HD1 LEU 27 2HD1 LEU 27 4.666 10.540 -4.203 160 3HD1 LEU 27 3HD1 LEU 27 3.019 11.171 -4.180 161 1HD2 LEU 27 1HD2 LEU 27 3.215 9.644 -1.068 162 2HD2 LEU 27 2HD2 LEU 27 4.279 10.731 -1.960 163 3HD2 LEU 27 3HD2 LEU 27 4.764 9.058 -1.675 164 HA PRO 28 HA PRO 28 1.100 4.106 -4.004 165 1HB PRO 28 2HB PRO 28 0.072 5.188 -6.566 166 2HB PRO 28 1HB PRO 28 -0.438 3.764 -5.653 167 1HG PRO 28 2HG PRO 28 -1.931 5.974 -5.689 168 2HG PRO 28 1HG PRO 28 -1.772 4.999 -4.216 169 1HD PRO 28 2HD PRO 28 -0.458 7.589 -4.928 170 2HD PRO 28 1HD PRO 28 -1.095 7.039 -3.365 171 H VAL 29 H VAL 29 3.226 3.843 -4.168 172 HA VAL 29 HA VAL 29 4.499 4.518 -6.717 173 HB VAL 29 HB VAL 29 6.024 4.799 -4.114 174 1HG1 VAL 29 1HG1 VAL 29 7.463 4.401 -5.961 175 2HG1 VAL 29 2HG1 VAL 29 7.566 6.123 -5.597 176 3HG1 VAL 29 3HG1 VAL 29 6.604 5.567 -6.967 177 1HG2 VAL 29 1HG2 VAL 29 5.867 7.350 -4.990 178 2HG2 VAL 29 2HG2 VAL 29 4.812 6.663 -3.754 179 3HG2 VAL 29 3HG2 VAL 29 4.265 6.758 -5.428 Start of MODEL 11 1 H CYS 1 H CYS 1 3.175 2.268 -5.729 2 HA CYS 1 HA CYS 1 5.444 0.413 -5.448 3 1HB CYS 1 2HB CYS 1 2.607 -0.081 -4.502 4 2HB CYS 1 1HB CYS 1 4.047 -1.032 -4.116 5 H GLY 2 H GLY 2 2.502 1.174 -7.142 6 1HA GLY 2 2HA GLY 2 1.597 0.323 -9.088 7 2HA GLY 2 1HA GLY 2 3.155 -0.455 -9.369 8 H GLU 3 H GLU 3 1.253 -0.869 -6.526 9 HA GLU 3 HA GLU 3 0.527 -3.599 -7.301 10 1HB GLU 3 2HB GLU 3 2.497 -3.749 -5.922 11 2HB GLU 3 1HB GLU 3 1.813 -2.646 -4.742 12 1HG GLU 3 2HG GLU 3 0.166 -4.279 -4.112 13 2HG GLU 3 1HG GLU 3 0.733 -5.363 -5.374 14 H THR 4 H THR 4 -1.348 -4.389 -6.345 15 HA THR 4 HA THR 4 -3.077 -2.327 -5.168 16 HB THR 4 HB THR 4 -4.968 -3.840 -5.834 17 HG1 THR 4 HG1 THR 4 -3.226 -5.609 -6.224 18 1HG2 THR 4 1HG2 THR 4 -5.090 -2.274 -7.426 19 2HG2 THR 4 2HG2 THR 4 -4.176 -3.367 -8.467 20 3HG2 THR 4 3HG2 THR 4 -3.333 -2.139 -7.523 21 H CYS 5 H CYS 5 -4.232 -2.756 -3.315 22 HA CYS 5 HA CYS 5 -3.580 -5.306 -2.007 23 1HB CYS 5 2HB CYS 5 -3.666 -4.257 0.163 24 2HB CYS 5 1HB CYS 5 -2.507 -3.417 -0.843 25 H VAL 6 H VAL 6 -5.580 -5.245 -3.692 26 HA VAL 6 HA VAL 6 -8.114 -4.516 -2.799 27 HB VAL 6 HB VAL 6 -7.551 -7.015 -4.399 28 1HG1 VAL 6 1HG1 VAL 6 -9.874 -5.093 -4.356 29 2HG1 VAL 6 2HG1 VAL 6 -9.858 -6.736 -3.714 30 3HG1 VAL 6 3HG1 VAL 6 -9.709 -6.467 -5.450 31 1HG2 VAL 6 1HG2 VAL 6 -7.400 -5.743 -6.384 32 2HG2 VAL 6 2HG2 VAL 6 -6.306 -4.973 -5.235 33 3HG2 VAL 6 3HG2 VAL 6 -7.886 -4.261 -5.561 34 H GLY 7 H GLY 7 -6.087 -7.247 -2.008 35 1HA GLY 7 2HA GLY 7 -8.199 -8.403 -0.330 36 2HA GLY 7 1HA GLY 7 -6.698 -9.199 -0.787 37 H GLY 8 H GLY 8 -6.562 -5.895 0.243 38 1HA GLY 8 2HA GLY 8 -5.669 -4.885 2.091 39 2HA GLY 8 1HA GLY 8 -6.324 -6.223 3.021 40 H THR 9 H THR 9 -3.879 -6.343 0.470 41 HA THR 9 HA THR 9 -1.796 -6.851 2.436 42 HB THR 9 HB THR 9 -1.310 -8.884 0.649 43 HG1 THR 9 HG1 THR 9 -4.088 -8.995 1.299 44 1HG2 THR 9 1HG2 THR 9 -2.739 -10.063 2.752 45 2HG2 THR 9 2HG2 THR 9 -2.040 -8.588 3.423 46 3HG2 THR 9 3HG2 THR 9 -0.998 -9.791 2.663 47 H CYS 10 H CYS 10 0.257 -6.457 1.701 48 HA CYS 10 HA CYS 10 0.621 -5.726 -1.112 49 1HB CYS 10 2HB CYS 10 1.566 -4.058 1.232 50 2HB CYS 10 1HB CYS 10 1.950 -3.753 -0.455 51 H ASN 11 H ASN 11 2.467 -6.474 -1.939 52 HA ASN 11 HA ASN 11 4.192 -8.067 -0.222 53 1HB ASN 11 2HB ASN 11 4.183 -7.687 -3.225 54 2HB ASN 11 1HB ASN 11 5.204 -8.822 -2.350 55 1HD2 ASN 11 1HD2 ASN 11 2.152 -8.220 -3.715 56 2HD2 ASN 11 2HD2 ASN 11 1.412 -9.733 -3.296 57 H THR 12 H THR 12 4.239 -5.122 -2.102 58 HA THR 12 HA THR 12 7.029 -4.711 -2.143 59 HB THR 12 HB THR 12 5.185 -2.380 -1.976 60 HG1 THR 12 HG1 THR 12 4.051 -3.856 -3.330 61 1HG2 THR 12 1HG2 THR 12 6.912 -2.401 -4.236 62 2HG2 THR 12 2HG2 THR 12 7.846 -2.913 -2.832 63 3HG2 THR 12 3HG2 THR 12 6.989 -1.372 -2.806 64 HA PRO 13 HA PRO 13 7.526 -3.917 2.231 65 1HB PRO 13 2HB PRO 13 10.247 -3.146 1.435 66 2HB PRO 13 1HB PRO 13 9.713 -4.401 2.555 67 1HG PRO 13 2HG PRO 13 10.747 -5.005 0.148 68 2HG PRO 13 1HG PRO 13 9.455 -5.972 0.882 69 1HD PRO 13 2HD PRO 13 9.284 -3.897 -1.271 70 2HD PRO 13 1HD PRO 13 8.434 -5.452 -1.133 71 H GLY 14 H GLY 14 6.739 -2.125 3.032 72 1HA GLY 14 2HA GLY 14 7.152 0.110 3.809 73 2HA GLY 14 1HA GLY 14 7.977 0.435 2.289 74 H CYS 15 H CYS 15 5.319 -1.360 1.579 75 HA CYS 15 HA CYS 15 3.860 1.064 0.830 76 1HB CYS 15 2HB CYS 15 3.624 -1.771 -0.177 77 2HB CYS 15 1HB CYS 15 2.637 -0.421 -0.739 78 H THR 16 H THR 16 2.163 1.682 1.873 79 HA THR 16 HA THR 16 0.878 -0.065 3.812 80 HB THR 16 HB THR 16 -0.452 2.153 4.207 81 HG1 THR 16 HG1 THR 16 0.324 3.223 2.318 82 1HG2 THR 16 1HG2 THR 16 2.495 2.030 4.858 83 2HG2 THR 16 2HG2 THR 16 1.229 1.178 5.741 84 3HG2 THR 16 3HG2 THR 16 1.261 2.941 5.728 85 H CYS 17 H CYS 17 -1.261 -0.746 3.647 86 HA CYS 17 HA CYS 17 -2.333 -0.803 1.012 87 1HB CYS 17 2HB CYS 17 -2.685 -2.690 2.525 88 2HB CYS 17 1HB CYS 17 -3.619 -1.662 3.608 89 H SER 18 H SER 18 -3.818 0.349 0.101 90 HA SER 18 HA SER 18 -5.559 2.138 1.578 91 1HB SER 18 2HB SER 18 -3.765 3.141 -0.661 92 2HB SER 18 1HB SER 18 -4.937 4.092 0.253 93 HG SER 18 HG SER 18 -3.390 3.006 2.048 94 H TRP 19 H TRP 19 -6.696 0.208 0.810 95 HA TRP 19 HA TRP 19 -7.169 -0.915 -1.462 96 1HB TRP 19 2HB TRP 19 -8.597 -1.016 0.691 97 2HB TRP 19 1HB TRP 19 -9.629 0.160 -0.123 98 HD1 TRP 19 HD1 TRP 19 -8.723 -3.508 -0.120 99 HE1 TRP 19 HE1 TRP 19 -10.148 -4.755 -1.860 100 HE3 TRP 19 HE3 TRP 19 -10.868 0.511 -2.429 101 HZ2 TRP 19 HZ2 TRP 19 -11.949 -4.109 -3.948 102 HZ3 TRP 19 HZ3 TRP 19 -12.410 0.115 -4.297 103 HH2 TRP 19 HH2 TRP 19 -12.931 -2.140 -5.042 104 HA PRO 20 HA PRO 20 -7.710 -1.688 -2.909 105 1HB PRO 20 2HB PRO 20 -7.907 -2.073 -5.527 106 2HB PRO 20 1HB PRO 20 -9.354 -1.797 -4.550 107 1HG PRO 20 2HG PRO 20 -7.979 0.027 -6.444 108 2HG PRO 20 1HG PRO 20 -9.690 -0.046 -5.994 109 1HD PRO 20 2HD PRO 20 -7.674 1.710 -4.962 110 2HD PRO 20 1HD PRO 20 -9.376 1.603 -4.475 111 H VAL 21 H VAL 21 -5.735 0.726 -3.171 112 HA VAL 21 HA VAL 21 -3.678 -0.800 -4.621 113 HB VAL 21 HB VAL 21 -2.761 1.581 -5.193 114 1HG1 VAL 21 1HG1 VAL 21 -3.459 -0.054 -6.854 115 2HG1 VAL 21 2HG1 VAL 21 -4.067 1.543 -7.289 116 3HG1 VAL 21 3HG1 VAL 21 -5.153 0.351 -6.572 117 1HG2 VAL 21 1HG2 VAL 21 -4.316 2.887 -3.921 118 2HG2 VAL 21 2HG2 VAL 21 -5.691 2.069 -4.668 119 3HG2 VAL 21 3HG2 VAL 21 -4.673 3.145 -5.630 120 H CYS 22 H CYS 22 -1.574 -0.681 -3.946 121 HA CYS 22 HA CYS 22 -1.196 -0.045 -1.152 122 1HB CYS 22 2HB CYS 22 0.684 -1.192 -3.233 123 2HB CYS 22 1HB CYS 22 1.064 -1.033 -1.523 124 H THR 23 H THR 23 -0.415 1.809 -0.405 125 HA THR 23 HA THR 23 0.763 3.703 -2.306 126 HB THR 23 HB THR 23 0.361 5.387 -0.474 127 HG1 THR 23 HG1 THR 23 -1.559 3.944 0.792 128 1HG2 THR 23 1HG2 THR 23 -1.879 3.861 -1.769 129 2HG2 THR 23 2HG2 THR 23 -1.211 5.435 -2.205 130 3HG2 THR 23 3HG2 THR 23 -2.198 5.266 -0.753 131 H ARG 24 H ARG 24 2.639 4.842 -1.812 132 HA ARG 24 HA ARG 24 4.416 3.510 0.118 133 1HB ARG 24 2HB ARG 24 5.170 3.498 -2.254 134 2HB ARG 24 1HB ARG 24 5.098 5.253 -2.271 135 1HG ARG 24 2HG ARG 24 7.367 4.654 -1.991 136 2HG ARG 24 1HG ARG 24 6.800 5.245 -0.428 137 1HD ARG 24 2HD ARG 24 8.177 3.222 -0.206 138 2HD ARG 24 1HD ARG 24 6.528 2.966 0.364 139 HE ARG 24 HE ARG 24 6.323 1.329 -1.192 140 1HH1 ARG 24 1HH1 ARG 24 8.883 3.470 -2.270 141 2HH1 ARG 24 2HH1 ARG 24 9.195 2.574 -3.717 142 1HH2 ARG 24 1HH2 ARG 24 6.742 0.148 -3.090 143 2HH2 ARG 24 2HH2 ARG 24 7.971 0.683 -4.188 144 H ASN 25 H ASN 25 4.162 4.611 1.974 145 HA ASN 25 HA ASN 25 4.134 6.295 3.495 146 1HB ASN 25 2HB ASN 25 5.627 7.892 1.400 147 2HB ASN 25 1HB ASN 25 5.560 8.236 3.123 148 1HD2 ASN 25 1HD2 ASN 25 7.563 7.231 0.887 149 2HD2 ASN 25 2HD2 ASN 25 8.525 6.104 1.774 150 H GLY 26 H GLY 26 1.907 6.033 1.716 151 1HA GLY 26 2HA GLY 26 -0.095 7.320 1.919 152 2HA GLY 26 1HA GLY 26 0.883 8.774 1.953 153 H LEU 27 H LEU 27 2.441 7.696 -0.469 154 HA LEU 27 HA LEU 27 0.329 8.297 -2.435 155 1HB LEU 27 2HB LEU 27 2.022 9.379 -3.846 156 2HB LEU 27 1HB LEU 27 1.826 10.182 -2.302 157 HG LEU 27 HG LEU 27 4.029 8.190 -2.649 158 1HD1 LEU 27 1HD1 LEU 27 4.510 9.483 -4.520 159 2HD1 LEU 27 2HD1 LEU 27 5.432 10.276 -3.243 160 3HD1 LEU 27 3HD1 LEU 27 3.898 10.961 -3.778 161 1HD2 LEU 27 1HD2 LEU 27 5.136 9.627 -1.015 162 2HD2 LEU 27 2HD2 LEU 27 3.558 9.109 -0.424 163 3HD2 LEU 27 3HD2 LEU 27 3.770 10.741 -1.056 164 HA PRO 28 HA PRO 28 1.093 4.283 -4.084 165 1HB PRO 28 2HB PRO 28 0.080 5.463 -6.603 166 2HB PRO 28 1HB PRO 28 -0.500 4.062 -5.696 167 1HG PRO 28 2HG PRO 28 -1.852 6.367 -5.687 168 2HG PRO 28 1HG PRO 28 -1.742 5.356 -4.232 169 1HD PRO 28 2HD PRO 28 -0.266 7.869 -4.912 170 2HD PRO 28 1HD PRO 28 -0.926 7.336 -3.352 171 H VAL 29 H VAL 29 3.204 3.917 -4.299 172 HA VAL 29 HA VAL 29 4.445 4.549 -6.868 173 HB VAL 29 HB VAL 29 6.060 4.833 -4.326 174 1HG1 VAL 29 1HG1 VAL 29 7.080 4.395 -6.650 175 2HG1 VAL 29 2HG1 VAL 29 7.760 5.690 -5.664 176 3HG1 VAL 29 3HG1 VAL 29 6.659 6.074 -6.987 177 1HG2 VAL 29 1HG2 VAL 29 5.213 7.251 -5.850 178 2HG2 VAL 29 2HG2 VAL 29 5.720 7.098 -4.168 179 3HG2 VAL 29 3HG2 VAL 29 4.114 6.557 -4.658 Start of MODEL 12 1 H CYS 1 H CYS 1 3.095 2.270 -5.690 2 HA CYS 1 HA CYS 1 5.337 0.401 -5.308 3 1HB CYS 1 2HB CYS 1 2.457 -0.087 -4.514 4 2HB CYS 1 1HB CYS 1 3.881 -1.005 -4.023 5 H GLY 2 H GLY 2 2.430 1.150 -7.084 6 1HA GLY 2 2HA GLY 2 1.600 0.315 -9.072 7 2HA GLY 2 1HA GLY 2 3.167 -0.459 -9.309 8 H GLU 3 H GLU 3 1.281 -0.911 -6.483 9 HA GLU 3 HA GLU 3 0.543 -3.631 -7.285 10 1HB GLU 3 2HB GLU 3 2.491 -3.769 -5.865 11 2HB GLU 3 1HB GLU 3 1.773 -2.675 -4.699 12 1HG GLU 3 2HG GLU 3 0.130 -4.319 -4.099 13 2HG GLU 3 1HG GLU 3 0.716 -5.395 -5.359 14 H THR 4 H THR 4 -1.344 -4.429 -6.336 15 HA THR 4 HA THR 4 -3.078 -2.360 -5.184 16 HB THR 4 HB THR 4 -4.970 -3.881 -5.906 17 HG1 THR 4 HG1 THR 4 -3.429 -4.956 -7.931 18 1HG2 THR 4 1HG2 THR 4 -3.347 -2.073 -7.495 19 2HG2 THR 4 2HG2 THR 4 -5.102 -2.226 -7.403 20 3HG2 THR 4 3HG2 THR 4 -4.183 -3.255 -8.502 21 H CYS 5 H CYS 5 -4.297 -2.827 -3.372 22 HA CYS 5 HA CYS 5 -3.628 -5.378 -2.076 23 1HB CYS 5 2HB CYS 5 -3.749 -4.351 0.099 24 2HB CYS 5 1HB CYS 5 -2.598 -3.478 -0.887 25 H VAL 6 H VAL 6 -5.601 -5.333 -3.786 26 HA VAL 6 HA VAL 6 -8.158 -4.651 -2.913 27 HB VAL 6 HB VAL 6 -7.549 -7.119 -4.541 28 1HG1 VAL 6 1HG1 VAL 6 -9.868 -6.858 -3.883 29 2HG1 VAL 6 2HG1 VAL 6 -9.696 -6.572 -5.614 30 3HG1 VAL 6 3HG1 VAL 6 -9.883 -5.209 -4.509 31 1HG2 VAL 6 1HG2 VAL 6 -6.485 -5.797 -5.993 32 2HG2 VAL 6 2HG2 VAL 6 -7.011 -4.328 -5.170 33 3HG2 VAL 6 3HG2 VAL 6 -8.068 -5.107 -6.349 34 H GLY 7 H GLY 7 -6.088 -7.353 -2.145 35 1HA GLY 7 2HA GLY 7 -8.185 -8.599 -0.519 36 2HA GLY 7 1HA GLY 7 -6.643 -9.328 -0.948 37 H GLY 8 H GLY 8 -6.620 -6.039 0.099 38 1HA GLY 8 2HA GLY 8 -5.814 -5.010 1.976 39 2HA GLY 8 1HA GLY 8 -6.461 -6.368 2.885 40 H THR 9 H THR 9 -3.938 -6.430 0.405 41 HA THR 9 HA THR 9 -1.900 -6.862 2.436 42 HB THR 9 HB THR 9 -1.316 -8.913 0.695 43 HG1 THR 9 HG1 THR 9 -4.103 -9.085 1.285 44 1HG2 THR 9 1HG2 THR 9 -2.981 -9.558 3.072 45 2HG2 THR 9 2HG2 THR 9 -1.489 -8.656 3.336 46 3HG2 THR 9 3HG2 THR 9 -1.437 -10.237 2.557 47 H CYS 10 H CYS 10 0.171 -6.441 1.748 48 HA CYS 10 HA CYS 10 0.579 -5.713 -1.062 49 1HB CYS 10 2HB CYS 10 1.441 -4.028 1.302 50 2HB CYS 10 1HB CYS 10 1.869 -3.721 -0.374 51 H ASN 11 H ASN 11 2.469 -6.396 -1.857 52 HA ASN 11 HA ASN 11 4.208 -7.940 -0.093 53 1HB ASN 11 2HB ASN 11 4.189 -7.662 -3.108 54 2HB ASN 11 1HB ASN 11 5.220 -8.757 -2.193 55 1HD2 ASN 11 1HD2 ASN 11 2.179 -8.245 -3.606 56 2HD2 ASN 11 2HD2 ASN 11 1.448 -9.746 -3.128 57 H THR 12 H THR 12 4.181 -5.048 -2.045 58 HA THR 12 HA THR 12 6.952 -4.581 -2.183 59 HB THR 12 HB THR 12 5.049 -2.295 -1.930 60 HG1 THR 12 HG1 THR 12 3.936 -3.799 -3.274 61 1HG2 THR 12 1HG2 THR 12 7.694 -2.547 -2.663 62 2HG2 THR 12 2HG2 THR 12 6.654 -1.168 -3.018 63 3HG2 THR 12 3HG2 THR 12 6.863 -2.446 -4.215 64 HA PRO 13 HA PRO 13 7.688 -3.762 2.139 65 1HB PRO 13 2HB PRO 13 10.287 -2.788 1.167 66 2HB PRO 13 1HB PRO 13 9.922 -4.078 2.313 67 1HG PRO 13 2HG PRO 13 10.827 -4.610 -0.159 68 2HG PRO 13 1HG PRO 13 9.653 -5.662 0.653 69 1HD PRO 13 2HD PRO 13 9.204 -3.602 -1.473 70 2HD PRO 13 1HD PRO 13 8.465 -5.208 -1.284 71 H GLY 14 H GLY 14 6.835 -2.055 3.024 72 1HA GLY 14 2HA GLY 14 7.057 0.169 3.843 73 2HA GLY 14 1HA GLY 14 7.869 0.601 2.344 74 H CYS 15 H CYS 15 5.276 -1.331 1.630 75 HA CYS 15 HA CYS 15 3.707 1.041 0.932 76 1HB CYS 15 2HB CYS 15 3.667 -1.758 -0.191 77 2HB CYS 15 1HB CYS 15 2.555 -0.478 -0.682 78 H THR 16 H THR 16 2.006 1.538 2.006 79 HA THR 16 HA THR 16 0.752 -0.347 3.835 80 HB THR 16 HB THR 16 -0.622 1.799 4.371 81 HG1 THR 16 HG1 THR 16 0.157 2.947 2.477 82 1HG2 THR 16 1HG2 THR 16 1.314 0.717 5.678 83 2HG2 THR 16 2HG2 THR 16 0.917 2.400 6.024 84 3HG2 THR 16 3HG2 THR 16 2.304 2.012 5.006 85 H CYS 17 H CYS 17 -1.439 -0.937 3.677 86 HA CYS 17 HA CYS 17 -2.459 -0.957 1.014 87 1HB CYS 17 2HB CYS 17 -2.849 -2.866 2.489 88 2HB CYS 17 1HB CYS 17 -3.788 -1.849 3.577 89 H SER 18 H SER 18 -3.932 0.211 0.103 90 HA SER 18 HA SER 18 -5.680 1.990 1.581 91 1HB SER 18 2HB SER 18 -3.853 3.004 -0.626 92 2HB SER 18 1HB SER 18 -5.047 3.952 0.263 93 HG SER 18 HG SER 18 -3.519 2.846 2.078 94 H TRP 19 H TRP 19 -6.786 0.044 0.778 95 HA TRP 19 HA TRP 19 -7.241 -1.044 -1.513 96 1HB TRP 19 2HB TRP 19 -8.676 -1.197 0.631 97 2HB TRP 19 1HB TRP 19 -9.717 -0.016 -0.167 98 HD1 TRP 19 HD1 TRP 19 -8.769 -3.676 -0.228 99 HE1 TRP 19 HE1 TRP 19 -10.177 -4.906 -1.996 100 HE3 TRP 19 HE3 TRP 19 -10.955 0.361 -2.461 101 HZ2 TRP 19 HZ2 TRP 19 -11.982 -4.238 -4.073 102 HZ3 TRP 19 HZ3 TRP 19 -12.491 -0.013 -4.340 103 HH2 TRP 19 HH2 TRP 19 -12.985 -2.259 -5.129 104 HA PRO 20 HA PRO 20 -7.766 -1.798 -2.973 105 1HB PRO 20 2HB PRO 20 -7.950 -2.144 -5.597 106 2HB PRO 20 1HB PRO 20 -9.403 -1.899 -4.621 107 1HG PRO 20 2HG PRO 20 -8.039 -0.031 -6.480 108 2HG PRO 20 1HG PRO 20 -9.752 -0.131 -6.042 109 1HD PRO 20 2HD PRO 20 -7.761 1.632 -4.971 110 2HD PRO 20 1HD PRO 20 -9.465 1.497 -4.493 111 H VAL 21 H VAL 21 -5.816 0.633 -3.178 112 HA VAL 21 HA VAL 21 -3.732 -0.839 -4.650 113 HB VAL 21 HB VAL 21 -2.844 1.564 -5.173 114 1HG1 VAL 21 1HG1 VAL 21 -5.224 0.344 -6.582 115 2HG1 VAL 21 2HG1 VAL 21 -3.527 -0.049 -6.866 116 3HG1 VAL 21 3HG1 VAL 21 -4.141 1.554 -7.273 117 1HG2 VAL 21 1HG2 VAL 21 -4.783 3.110 -5.584 118 2HG2 VAL 21 2HG2 VAL 21 -4.411 2.832 -3.881 119 3HG2 VAL 21 3HG2 VAL 21 -5.779 2.005 -4.632 120 H CYS 22 H CYS 22 -1.619 -0.677 -3.966 121 HA CYS 22 HA CYS 22 -1.294 -0.089 -1.152 122 1HB CYS 22 2HB CYS 22 0.621 -1.204 -3.219 123 2HB CYS 22 1HB CYS 22 0.989 -1.044 -1.505 124 H THR 23 H THR 23 -0.420 1.690 -0.320 125 HA THR 23 HA THR 23 0.778 3.651 -2.161 126 HB THR 23 HB THR 23 0.263 5.301 -0.327 127 HG1 THR 23 HG1 THR 23 -1.708 3.831 0.820 128 1HG2 THR 23 1HG2 THR 23 -1.194 5.250 -2.215 129 2HG2 THR 23 2HG2 THR 23 -2.217 5.304 -0.778 130 3HG2 THR 23 3HG2 THR 23 -1.987 3.782 -1.641 131 H ARG 24 H ARG 24 2.675 4.766 -1.524 132 HA ARG 24 HA ARG 24 4.076 3.649 0.802 133 1HB ARG 24 2HB ARG 24 4.958 2.539 -1.202 134 2HB ARG 24 1HB ARG 24 5.290 4.102 -1.934 135 1HG ARG 24 2HG ARG 24 7.139 4.458 -0.673 136 2HG ARG 24 1HG ARG 24 6.502 3.570 0.712 137 1HD ARG 24 2HD ARG 24 8.428 2.457 -0.385 138 2HD ARG 24 1HD ARG 24 6.968 1.470 -0.344 139 HE ARG 24 HE ARG 24 7.019 2.845 -2.777 140 1HH1 ARG 24 1HH1 ARG 24 8.804 0.347 -1.101 141 2HH1 ARG 24 2HH1 ARG 24 9.299 -0.455 -2.554 142 1HH2 ARG 24 1HH2 ARG 24 7.644 1.782 -4.708 143 2HH2 ARG 24 2HH2 ARG 24 8.640 0.364 -4.613 144 H ASN 25 H ASN 25 4.786 5.185 2.104 145 HA ASN 25 HA ASN 25 5.318 7.207 2.974 146 1HB ASN 25 2HB ASN 25 6.131 7.922 0.146 147 2HB ASN 25 1HB ASN 25 6.550 8.830 1.594 148 1HD2 ASN 25 1HD2 ASN 25 7.846 6.935 -0.591 149 2HD2 ASN 25 2HD2 ASN 25 9.018 6.086 0.351 150 H GLY 26 H GLY 26 2.669 6.665 1.911 151 1HA GLY 26 2HA GLY 26 0.718 7.922 2.150 152 2HA GLY 26 1HA GLY 26 1.675 9.386 2.040 153 H LEU 27 H LEU 27 2.507 7.378 -0.533 154 HA LEU 27 HA LEU 27 0.297 8.220 -2.219 155 1HB LEU 27 2HB LEU 27 1.653 9.357 -3.866 156 2HB LEU 27 1HB LEU 27 1.799 10.150 -2.313 157 HG LEU 27 HG LEU 27 3.886 8.185 -3.209 158 1HD1 LEU 27 1HD1 LEU 27 5.095 10.376 -3.933 159 2HD1 LEU 27 2HD1 LEU 27 3.455 10.989 -4.142 160 3HD1 LEU 27 3HD1 LEU 27 3.989 9.574 -5.048 161 1HD2 LEU 27 1HD2 LEU 27 4.198 8.792 -0.974 162 2HD2 LEU 27 2HD2 LEU 27 3.731 10.467 -1.267 163 3HD2 LEU 27 3HD2 LEU 27 5.279 9.866 -1.860 164 HA PRO 28 HA PRO 28 1.002 4.278 -4.023 165 1HB PRO 28 2HB PRO 28 0.010 5.415 -6.561 166 2HB PRO 28 1HB PRO 28 -0.624 4.079 -5.596 167 1HG PRO 28 2HG PRO 28 -1.878 6.443 -5.689 168 2HG PRO 28 1HG PRO 28 -1.824 5.482 -4.199 169 1HD PRO 28 2HD PRO 28 -0.212 7.888 -4.964 170 2HD PRO 28 1HD PRO 28 -0.935 7.467 -3.396 171 H VAL 29 H VAL 29 3.118 3.922 -4.219 172 HA VAL 29 HA VAL 29 4.374 4.523 -6.791 173 HB VAL 29 HB VAL 29 5.978 4.821 -4.244 174 1HG1 VAL 29 1HG1 VAL 29 6.518 5.921 -6.995 175 2HG1 VAL 29 2HG1 VAL 29 7.111 4.358 -6.433 176 3HG1 VAL 29 3HG1 VAL 29 7.627 5.839 -5.627 177 1HG2 VAL 29 1HG2 VAL 29 4.187 6.795 -5.494 178 2HG2 VAL 29 2HG2 VAL 29 5.809 7.371 -5.109 179 3HG2 VAL 29 3HG2 VAL 29 4.790 6.691 -3.840 Start of MODEL 13 1 H CYS 1 H CYS 1 2.853 2.266 -5.346 2 HA CYS 1 HA CYS 1 5.272 0.642 -5.288 3 1HB CYS 1 2HB CYS 1 2.472 -0.162 -4.448 4 2HB CYS 1 1HB CYS 1 3.988 -0.958 -4.014 5 H GLY 2 H GLY 2 2.408 1.144 -7.145 6 1HA GLY 2 2HA GLY 2 1.696 0.222 -9.142 7 2HA GLY 2 1HA GLY 2 3.290 -0.522 -9.281 8 H GLU 3 H GLU 3 1.248 -0.880 -6.545 9 HA GLU 3 HA GLU 3 0.588 -3.643 -7.248 10 1HB GLU 3 2HB GLU 3 2.531 -3.728 -5.830 11 2HB GLU 3 1HB GLU 3 1.818 -2.592 -4.702 12 1HG GLU 3 2HG GLU 3 0.158 -4.231 -4.066 13 2HG GLU 3 1HG GLU 3 0.817 -5.361 -5.244 14 H THR 4 H THR 4 -1.298 -4.418 -6.329 15 HA THR 4 HA THR 4 -3.060 -2.360 -5.189 16 HB THR 4 HB THR 4 -4.934 -3.866 -5.910 17 HG1 THR 4 HG1 THR 4 -3.178 -5.630 -6.283 18 1HG2 THR 4 1HG2 THR 4 -4.089 -3.371 -8.522 19 2HG2 THR 4 2HG2 THR 4 -3.264 -2.152 -7.551 20 3HG2 THR 4 3HG2 THR 4 -5.023 -2.287 -7.490 21 H CYS 5 H CYS 5 -4.237 -2.808 -3.358 22 HA CYS 5 HA CYS 5 -3.594 -5.369 -2.068 23 1HB CYS 5 2HB CYS 5 -3.737 -4.347 0.107 24 2HB CYS 5 1HB CYS 5 -2.577 -3.470 -0.865 25 H VAL 6 H VAL 6 -5.555 -5.311 -3.800 26 HA VAL 6 HA VAL 6 -8.118 -4.634 -2.946 27 HB VAL 6 HB VAL 6 -7.484 -7.092 -4.581 28 1HG1 VAL 6 1HG1 VAL 6 -9.836 -5.207 -4.562 29 2HG1 VAL 6 2HG1 VAL 6 -9.810 -6.853 -3.929 30 3HG1 VAL 6 3HG1 VAL 6 -9.629 -6.573 -5.660 31 1HG2 VAL 6 1HG2 VAL 6 -6.358 -4.811 -5.251 32 2HG2 VAL 6 2HG2 VAL 6 -7.970 -4.451 -5.868 33 3HG2 VAL 6 3HG2 VAL 6 -7.089 -5.854 -6.471 34 H GLY 7 H GLY 7 -6.053 -7.337 -2.163 35 1HA GLY 7 2HA GLY 7 -8.168 -8.574 -0.549 36 2HA GLY 7 1HA GLY 7 -6.636 -9.320 -0.984 37 H GLY 8 H GLY 8 -6.606 -6.031 0.090 38 1HA GLY 8 2HA GLY 8 -5.784 -5.019 1.969 39 2HA GLY 8 1HA GLY 8 -6.432 -6.381 2.869 40 H THR 9 H THR 9 -3.915 -6.433 0.385 41 HA THR 9 HA THR 9 -1.870 -6.879 2.404 42 HB THR 9 HB THR 9 -1.285 -8.936 0.693 43 HG1 THR 9 HG1 THR 9 -4.090 -9.087 1.202 44 1HG2 THR 9 1HG2 THR 9 -2.383 -8.667 3.408 45 2HG2 THR 9 2HG2 THR 9 -1.001 -9.599 2.831 46 3HG2 THR 9 3HG2 THR 9 -2.634 -10.244 2.659 47 H CYS 10 H CYS 10 0.192 -6.450 1.712 48 HA CYS 10 HA CYS 10 0.611 -5.761 -1.105 49 1HB CYS 10 2HB CYS 10 1.485 -4.036 1.226 50 2HB CYS 10 1HB CYS 10 1.856 -3.739 -0.465 51 H ASN 11 H ASN 11 2.542 -6.439 -1.877 52 HA ASN 11 HA ASN 11 4.243 -7.937 -0.038 53 1HB ASN 11 2HB ASN 11 4.113 -7.788 -3.049 54 2HB ASN 11 1HB ASN 11 5.411 -8.621 -2.203 55 1HD2 ASN 11 1HD2 ASN 11 2.628 -8.870 -0.405 56 2HD2 ASN 11 2HD2 ASN 11 2.087 -10.413 -0.961 57 H THR 12 H THR 12 4.251 -5.045 -1.983 58 HA THR 12 HA THR 12 7.021 -4.563 -2.056 59 HB THR 12 HB THR 12 5.071 -2.308 -1.814 60 HG1 THR 12 HG1 THR 12 4.020 -3.705 -3.247 61 1HG2 THR 12 1HG2 THR 12 6.790 -1.141 -2.622 62 2HG2 THR 12 2HG2 THR 12 6.885 -2.196 -4.032 63 3HG2 THR 12 3HG2 THR 12 7.778 -2.601 -2.566 64 HA PRO 13 HA PRO 13 7.612 -3.885 2.326 65 1HB PRO 13 2HB PRO 13 10.275 -2.973 1.474 66 2HB PRO 13 1HB PRO 13 9.825 -4.269 2.582 67 1HG PRO 13 2HG PRO 13 10.808 -4.792 0.140 68 2HG PRO 13 1HG PRO 13 9.565 -5.815 0.884 69 1HD PRO 13 2HD PRO 13 9.274 -3.703 -1.220 70 2HD PRO 13 1HD PRO 13 8.475 -5.285 -1.091 71 H GLY 14 H GLY 14 6.685 -2.161 3.144 72 1HA GLY 14 2HA GLY 14 7.012 0.049 4.036 73 2HA GLY 14 1HA GLY 14 7.846 0.476 2.547 74 H CYS 15 H CYS 15 5.297 -1.370 1.658 75 HA CYS 15 HA CYS 15 3.756 1.026 1.005 76 1HB CYS 15 2HB CYS 15 3.696 -1.766 -0.129 77 2HB CYS 15 1HB CYS 15 2.560 -0.501 -0.597 78 H THR 16 H THR 16 1.997 1.546 1.986 79 HA THR 16 HA THR 16 0.729 -0.301 3.851 80 HB THR 16 HB THR 16 -0.644 1.879 4.318 81 HG1 THR 16 HG1 THR 16 0.180 3.037 2.493 82 1HG2 THR 16 1HG2 THR 16 0.630 2.023 6.150 83 2HG2 THR 16 2HG2 THR 16 2.066 2.441 5.214 84 3HG2 THR 16 3HG2 THR 16 1.617 0.749 5.435 85 H CYS 17 H CYS 17 -1.448 -0.910 3.680 86 HA CYS 17 HA CYS 17 -2.461 -0.949 1.016 87 1HB CYS 17 2HB CYS 17 -2.850 -2.848 2.506 88 2HB CYS 17 1HB CYS 17 -3.799 -1.826 3.580 89 H SER 18 H SER 18 -3.934 0.211 0.090 90 HA SER 18 HA SER 18 -5.696 1.992 1.549 91 1HB SER 18 2HB SER 18 -3.853 3.011 -0.642 92 2HB SER 18 1HB SER 18 -5.050 3.957 0.245 93 HG SER 18 HG SER 18 -3.544 2.857 2.072 94 H TRP 19 H TRP 19 -6.792 0.043 0.729 95 HA TRP 19 HA TRP 19 -7.228 -1.040 -1.568 96 1HB TRP 19 2HB TRP 19 -8.684 -1.188 0.565 97 2HB TRP 19 1HB TRP 19 -9.717 -0.011 -0.246 98 HD1 TRP 19 HD1 TRP 19 -8.782 -3.670 -0.274 99 HE1 TRP 19 HE1 TRP 19 -10.170 -4.908 -2.051 100 HE3 TRP 19 HE3 TRP 19 -10.917 0.359 -2.573 101 HZ2 TRP 19 HZ2 TRP 19 -11.939 -4.250 -4.162 102 HZ3 TRP 19 HZ3 TRP 19 -12.425 -0.026 -4.472 103 HH2 TRP 19 HH2 TRP 19 -12.917 -2.275 -5.250 104 HA PRO 20 HA PRO 20 -7.743 -1.793 -3.036 105 1HB PRO 20 2HB PRO 20 -7.895 -2.135 -5.661 106 2HB PRO 20 1HB PRO 20 -9.360 -1.881 -4.706 107 1HG PRO 20 2HG PRO 20 -7.950 -0.015 -6.536 108 2HG PRO 20 1HG PRO 20 -9.672 -0.114 -6.141 109 1HD PRO 20 2HD PRO 20 -7.718 1.650 -5.022 110 2HD PRO 20 1HD PRO 20 -9.427 1.499 -4.570 111 H VAL 21 H VAL 21 -5.802 0.667 -3.258 112 HA VAL 21 HA VAL 21 -3.694 -0.819 -4.680 113 HB VAL 21 HB VAL 21 -2.800 1.582 -5.201 114 1HG1 VAL 21 1HG1 VAL 21 -3.452 -0.036 -6.897 115 2HG1 VAL 21 2HG1 VAL 21 -4.071 1.560 -7.319 116 3HG1 VAL 21 3HG1 VAL 21 -5.155 0.346 -6.637 117 1HG2 VAL 21 1HG2 VAL 21 -5.739 2.022 -4.693 118 2HG2 VAL 21 2HG2 VAL 21 -4.742 3.119 -5.653 119 3HG2 VAL 21 3HG2 VAL 21 -4.379 2.862 -3.945 120 H CYS 22 H CYS 22 -1.589 -0.650 -3.965 121 HA CYS 22 HA CYS 22 -1.316 -0.056 -1.148 122 1HB CYS 22 2HB CYS 22 0.654 -1.161 -3.168 123 2HB CYS 22 1HB CYS 22 0.959 -1.024 -1.439 124 H THR 23 H THR 23 -0.484 1.732 -0.306 125 HA THR 23 HA THR 23 0.687 3.724 -2.114 126 HB THR 23 HB THR 23 0.326 5.284 -0.145 127 HG1 THR 23 HG1 THR 23 -1.665 3.774 0.945 128 1HG2 THR 23 1HG2 THR 23 -1.184 5.189 -2.100 129 2HG2 THR 23 2HG2 THR 23 -2.036 5.593 -0.609 130 3HG2 THR 23 3HG2 THR 23 -2.146 3.963 -1.273 131 H ARG 24 H ARG 24 2.617 4.820 -1.532 132 HA ARG 24 HA ARG 24 4.184 3.555 0.611 133 1HB ARG 24 2HB ARG 24 4.690 2.828 -1.864 134 2HB ARG 24 1HB ARG 24 5.492 4.388 -1.951 135 1HG ARG 24 2HG ARG 24 6.973 3.769 -0.145 136 2HG ARG 24 1HG ARG 24 6.121 2.236 0.059 137 1HD ARG 24 2HD ARG 24 6.695 1.848 -2.427 138 2HD ARG 24 1HD ARG 24 7.879 3.135 -2.197 139 HE ARG 24 HE ARG 24 8.178 1.218 -0.158 140 1HH1 ARG 24 1HH1 ARG 24 8.696 1.609 -3.592 141 2HH1 ARG 24 2HH1 ARG 24 9.971 0.439 -3.671 142 1HH2 ARG 24 1HH2 ARG 24 9.840 -0.349 -0.243 143 2HH2 ARG 24 2HH2 ARG 24 10.630 -0.675 -1.754 144 H ASN 25 H ASN 25 4.930 5.040 1.963 145 HA ASN 25 HA ASN 25 5.511 7.020 2.897 146 1HB ASN 25 2HB ASN 25 6.345 7.765 0.085 147 2HB ASN 25 1HB ASN 25 6.809 8.621 1.551 148 1HD2 ASN 25 1HD2 ASN 25 7.971 6.655 -0.679 149 2HD2 ASN 25 2HD2 ASN 25 9.117 5.753 0.246 150 H GLY 26 H GLY 26 2.822 6.655 1.906 151 1HA GLY 26 2HA GLY 26 0.953 8.017 2.202 152 2HA GLY 26 1HA GLY 26 1.989 9.426 2.079 153 H LEU 27 H LEU 27 2.576 7.343 -0.528 154 HA LEU 27 HA LEU 27 0.396 8.383 -2.140 155 1HB LEU 27 2HB LEU 27 1.804 9.369 -3.849 156 2HB LEU 27 1HB LEU 27 2.048 10.172 -2.313 157 HG LEU 27 HG LEU 27 3.950 8.017 -3.165 158 1HD1 LEU 27 1HD1 LEU 27 3.534 10.610 -4.463 159 2HD1 LEU 27 2HD1 LEU 27 4.398 9.180 -5.031 160 3HD1 LEU 27 3HD1 LEU 27 5.192 10.315 -3.939 161 1HD2 LEU 27 1HD2 LEU 27 4.250 8.813 -0.941 162 2HD2 LEU 27 2HD2 LEU 27 4.115 10.493 -1.458 163 3HD2 LEU 27 3HD2 LEU 27 5.521 9.537 -1.926 164 HA PRO 28 HA PRO 28 0.791 4.345 -3.852 165 1HB PRO 28 2HB PRO 28 -0.605 5.351 -6.227 166 2HB PRO 28 1HB PRO 28 -1.106 4.131 -5.054 167 1HG PRO 28 2HG PRO 28 -2.262 6.566 -5.175 168 2HG PRO 28 1HG PRO 28 -2.064 5.686 -3.648 169 1HD PRO 28 2HD PRO 28 -0.451 7.952 -4.757 170 2HD PRO 28 1HD PRO 28 -0.978 7.655 -3.086 171 H VAL 29 H VAL 29 2.863 4.011 -4.390 172 HA VAL 29 HA VAL 29 3.621 4.509 -7.163 173 HB VAL 29 HB VAL 29 5.957 5.142 -6.436 174 1HG1 VAL 29 1HG1 VAL 29 3.567 6.819 -6.398 175 2HG1 VAL 29 2HG1 VAL 29 5.102 7.046 -7.237 176 3HG1 VAL 29 3HG1 VAL 29 4.944 7.517 -5.544 177 1HG2 VAL 29 1HG2 VAL 29 5.281 6.376 -3.965 178 2HG2 VAL 29 2HG2 VAL 29 6.509 5.151 -4.288 179 3HG2 VAL 29 3HG2 VAL 29 4.867 4.664 -3.866 Start of MODEL 14 1 H CYS 1 H CYS 1 3.061 2.328 -5.482 2 HA CYS 1 HA CYS 1 5.412 0.582 -5.510 3 1HB CYS 1 2HB CYS 1 2.644 -0.151 -4.530 4 2HB CYS 1 1HB CYS 1 4.181 -0.933 -4.131 5 H GLY 2 H GLY 2 2.455 1.262 -7.176 6 1HA GLY 2 2HA GLY 2 1.579 0.418 -9.134 7 2HA GLY 2 1HA GLY 2 3.138 -0.364 -9.401 8 H GLU 3 H GLU 3 1.258 -0.771 -6.550 9 HA GLU 3 HA GLU 3 0.568 -3.517 -7.312 10 1HB GLU 3 2HB GLU 3 2.541 -3.424 -5.806 11 2HB GLU 3 1HB GLU 3 1.568 -2.560 -4.624 12 1HG GLU 3 2HG GLU 3 0.047 -4.510 -4.547 13 2HG GLU 3 1HG GLU 3 1.172 -5.357 -5.594 14 H THR 4 H THR 4 -1.295 -4.361 -6.312 15 HA THR 4 HA THR 4 -3.096 -2.316 -5.213 16 HB THR 4 HB THR 4 -4.951 -3.853 -5.907 17 HG1 THR 4 HG1 THR 4 -3.158 -5.586 -6.293 18 1HG2 THR 4 1HG2 THR 4 -4.162 -3.363 -8.529 19 2HG2 THR 4 2HG2 THR 4 -3.313 -2.136 -7.586 20 3HG2 THR 4 3HG2 THR 4 -5.070 -2.270 -7.483 21 H CYS 5 H CYS 5 -4.232 -2.763 -3.360 22 HA CYS 5 HA CYS 5 -3.567 -5.321 -2.075 23 1HB CYS 5 2HB CYS 5 -3.659 -4.295 0.104 24 2HB CYS 5 1HB CYS 5 -2.507 -3.436 -0.893 25 H VAL 6 H VAL 6 -5.551 -5.288 -3.746 26 HA VAL 6 HA VAL 6 -8.096 -4.574 -2.861 27 HB VAL 6 HB VAL 6 -7.510 -7.056 -4.477 28 1HG1 VAL 6 1HG1 VAL 6 -9.667 -6.516 -5.532 29 2HG1 VAL 6 2HG1 VAL 6 -9.842 -5.147 -4.432 30 3HG1 VAL 6 3HG1 VAL 6 -9.822 -6.793 -3.797 31 1HG2 VAL 6 1HG2 VAL 6 -6.281 -4.982 -5.284 32 2HG2 VAL 6 2HG2 VAL 6 -7.871 -4.306 -5.635 33 3HG2 VAL 6 3HG2 VAL 6 -7.340 -5.778 -6.448 34 H GLY 7 H GLY 7 -6.036 -7.278 -2.077 35 1HA GLY 7 2HA GLY 7 -8.134 -8.507 -0.442 36 2HA GLY 7 1HA GLY 7 -6.586 -9.235 -0.851 37 H GLY 8 H GLY 8 -6.566 -5.932 0.147 38 1HA GLY 8 2HA GLY 8 -5.773 -4.877 2.016 39 2HA GLY 8 1HA GLY 8 -6.436 -6.218 2.938 40 H THR 9 H THR 9 -3.900 -6.356 0.482 41 HA THR 9 HA THR 9 -1.872 -6.743 2.532 42 HB THR 9 HB THR 9 -1.282 -8.852 0.881 43 HG1 THR 9 HG1 THR 9 -4.095 -8.938 1.373 44 1HG2 THR 9 1HG2 THR 9 -2.648 -8.651 3.540 45 2HG2 THR 9 2HG2 THR 9 -1.004 -9.169 3.167 46 3HG2 THR 9 3HG2 THR 9 -2.367 -10.228 2.803 47 H CYS 10 H CYS 10 0.203 -6.346 1.832 48 HA CYS 10 HA CYS 10 0.585 -5.688 -1.001 49 1HB CYS 10 2HB CYS 10 1.508 -3.992 1.328 50 2HB CYS 10 1HB CYS 10 1.934 -3.717 -0.354 51 H ASN 11 H ASN 11 2.421 -6.408 -1.835 52 HA ASN 11 HA ASN 11 4.158 -8.019 -0.148 53 1HB ASN 11 2HB ASN 11 3.985 -7.638 -3.141 54 2HB ASN 11 1HB ASN 11 5.241 -8.601 -2.372 55 1HD2 ASN 11 1HD2 ASN 11 2.396 -8.803 -0.624 56 2HD2 ASN 11 2HD2 ASN 11 1.797 -10.286 -1.279 57 H THR 12 H THR 12 4.263 -5.055 -2.041 58 HA THR 12 HA THR 12 7.052 -4.681 -2.012 59 HB THR 12 HB THR 12 5.136 -2.381 -1.876 60 HG1 THR 12 HG1 THR 12 4.248 -3.760 -3.452 61 1HG2 THR 12 1HG2 THR 12 7.921 -2.829 -2.593 62 2HG2 THR 12 2HG2 THR 12 7.080 -1.323 -2.220 63 3HG2 THR 12 3HG2 THR 12 7.028 -1.981 -3.856 64 HA PRO 13 HA PRO 13 7.472 -3.987 2.391 65 1HB PRO 13 2HB PRO 13 10.235 -3.271 1.680 66 2HB PRO 13 1HB PRO 13 9.636 -4.535 2.754 67 1HG PRO 13 2HG PRO 13 10.718 -5.111 0.362 68 2HG PRO 13 1HG PRO 13 9.381 -6.061 1.038 69 1HD PRO 13 2HD PRO 13 9.319 -3.927 -1.063 70 2HD PRO 13 1HD PRO 13 8.431 -5.465 -0.992 71 H GLY 14 H GLY 14 6.618 -2.184 3.123 72 1HA GLY 14 2HA GLY 14 7.129 0.039 3.967 73 2HA GLY 14 1HA GLY 14 7.928 0.366 2.434 74 H CYS 15 H CYS 15 5.429 -1.323 1.439 75 HA CYS 15 HA CYS 15 3.893 1.088 0.884 76 1HB CYS 15 2HB CYS 15 3.765 -1.691 -0.281 77 2HB CYS 15 1HB CYS 15 2.693 -0.375 -0.761 78 H THR 16 H THR 16 2.173 1.630 1.929 79 HA THR 16 HA THR 16 0.897 -0.215 3.777 80 HB THR 16 HB THR 16 -0.466 1.950 4.270 81 HG1 THR 16 HG1 THR 16 0.297 3.086 2.388 82 1HG2 THR 16 1HG2 THR 16 1.754 2.871 5.440 83 2HG2 THR 16 2HG2 THR 16 2.327 1.266 4.986 84 3HG2 THR 16 3HG2 THR 16 0.903 1.436 6.012 85 H CYS 17 H CYS 17 -1.282 -0.818 3.642 86 HA CYS 17 HA CYS 17 -2.333 -0.866 0.990 87 1HB CYS 17 2HB CYS 17 -2.690 -2.772 2.476 88 2HB CYS 17 1HB CYS 17 -3.619 -1.757 3.575 89 H SER 18 H SER 18 -3.822 0.291 0.091 90 HA SER 18 HA SER 18 -5.571 2.058 1.581 91 1HB SER 18 2HB SER 18 -3.764 3.090 -0.632 92 2HB SER 18 1HB SER 18 -4.956 4.027 0.270 93 HG SER 18 HG SER 18 -3.421 2.937 2.077 94 H TRP 19 H TRP 19 -6.694 0.130 0.787 95 HA TRP 19 HA TRP 19 -7.156 -0.970 -1.499 96 1HB TRP 19 2HB TRP 19 -8.588 -1.101 0.650 97 2HB TRP 19 1HB TRP 19 -9.624 0.081 -0.154 98 HD1 TRP 19 HD1 TRP 19 -8.705 -3.583 -0.185 99 HE1 TRP 19 HE1 TRP 19 -10.123 -4.820 -1.938 100 HE3 TRP 19 HE3 TRP 19 -10.860 0.449 -2.459 101 HZ2 TRP 19 HZ2 TRP 19 -11.923 -4.160 -4.022 102 HZ3 TRP 19 HZ3 TRP 19 -12.398 0.066 -4.333 103 HH2 TRP 19 HH2 TRP 19 -12.910 -2.183 -5.099 104 HA PRO 20 HA PRO 20 -7.694 -1.729 -2.957 105 1HB PRO 20 2HB PRO 20 -7.892 -2.089 -5.578 106 2HB PRO 20 1HB PRO 20 -9.341 -1.822 -4.599 107 1HG PRO 20 2HG PRO 20 -7.958 0.023 -6.471 108 2HG PRO 20 1HG PRO 20 -9.671 -0.060 -6.033 109 1HD PRO 20 2HD PRO 20 -7.671 1.693 -4.970 110 2HD PRO 20 1HD PRO 20 -9.374 1.570 -4.488 111 H VAL 21 H VAL 21 -5.727 0.684 -3.179 112 HA VAL 21 HA VAL 21 -3.666 -0.807 -4.656 113 HB VAL 21 HB VAL 21 -2.758 1.588 -5.186 114 1HG1 VAL 21 1HG1 VAL 21 -5.143 0.371 -6.587 115 2HG1 VAL 21 2HG1 VAL 21 -3.448 -0.026 -6.873 116 3HG1 VAL 21 3HG1 VAL 21 -4.059 1.576 -7.285 117 1HG2 VAL 21 1HG2 VAL 21 -4.308 2.878 -3.908 118 2HG2 VAL 21 2HG2 VAL 21 -5.686 2.047 -4.635 119 3HG2 VAL 21 3HG2 VAL 21 -4.695 3.138 -5.610 120 H CYS 22 H CYS 22 -1.550 -0.671 -3.984 121 HA CYS 22 HA CYS 22 -1.202 -0.077 -1.174 122 1HB CYS 22 2HB CYS 22 0.684 -1.234 -3.247 123 2HB CYS 22 1HB CYS 22 1.078 -1.047 -1.543 124 H THR 23 H THR 23 -0.470 1.775 -0.405 125 HA THR 23 HA THR 23 0.727 3.709 -2.251 126 HB THR 23 HB THR 23 0.348 5.335 -0.356 127 HG1 THR 23 HG1 THR 23 -1.581 3.878 0.871 128 1HG2 THR 23 1HG2 THR 23 -1.274 5.588 -1.956 129 2HG2 THR 23 2HG2 THR 23 -2.278 5.073 -0.601 130 3HG2 THR 23 3HG2 THR 23 -1.807 3.911 -1.841 131 H ARG 24 H ARG 24 2.653 4.754 -1.793 132 HA ARG 24 HA ARG 24 4.323 3.463 0.256 133 1HB ARG 24 2HB ARG 24 5.019 3.071 -2.128 134 2HB ARG 24 1HB ARG 24 5.244 4.806 -2.296 135 1HG ARG 24 2HG ARG 24 7.002 4.788 -0.653 136 2HG ARG 24 1HG ARG 24 6.719 3.076 -0.323 137 1HD ARG 24 2HD ARG 24 7.614 4.237 -2.959 138 2HD ARG 24 1HD ARG 24 8.650 3.412 -1.796 139 HE ARG 24 HE ARG 24 6.606 1.651 -2.361 140 1HH1 ARG 24 1HH1 ARG 24 9.109 3.288 -4.176 141 2HH1 ARG 24 2HH1 ARG 24 9.260 2.031 -5.356 142 1HH2 ARG 24 1HH2 ARG 24 6.812 -0.023 -3.908 143 2HH2 ARG 24 2HH2 ARG 24 7.950 0.142 -5.203 144 H ASN 25 H ASN 25 4.509 4.772 1.931 145 HA ASN 25 HA ASN 25 4.736 6.616 3.229 146 1HB ASN 25 2HB ASN 25 5.894 7.876 0.728 147 2HB ASN 25 1HB ASN 25 6.013 8.539 2.353 148 1HD2 ASN 25 1HD2 ASN 25 7.742 7.069 0.111 149 2HD2 ASN 25 2HD2 ASN 25 8.838 6.157 1.085 150 H GLY 26 H GLY 26 2.273 6.151 1.826 151 1HA GLY 26 2HA GLY 26 0.265 7.360 2.111 152 2HA GLY 26 1HA GLY 26 1.184 8.852 2.062 153 H LEU 27 H LEU 27 2.510 7.595 -0.509 154 HA LEU 27 HA LEU 27 0.235 8.217 -2.271 155 1HB LEU 27 2HB LEU 27 1.758 9.326 -3.837 156 2HB LEU 27 1HB LEU 27 1.708 10.130 -2.283 157 HG LEU 27 HG LEU 27 3.909 8.187 -2.892 158 1HD1 LEU 27 1HD1 LEU 27 3.811 11.092 -3.697 159 2HD1 LEU 27 2HD1 LEU 27 3.883 9.705 -4.785 160 3HD1 LEU 27 3HD1 LEU 27 5.249 10.071 -3.731 161 1HD2 LEU 27 1HD2 LEU 27 5.136 9.819 -1.405 162 2HD2 LEU 27 2HD2 LEU 27 3.846 8.901 -0.628 163 3HD2 LEU 27 3HD2 LEU 27 3.576 10.580 -1.093 164 HA PRO 28 HA PRO 28 0.975 4.244 -4.004 165 1HB PRO 28 2HB PRO 28 -0.276 5.310 -6.450 166 2HB PRO 28 1HB PRO 28 -0.766 3.961 -5.423 167 1HG PRO 28 2HG PRO 28 -2.116 6.281 -5.439 168 2HG PRO 28 1HG PRO 28 -1.923 5.323 -3.959 169 1HD PRO 28 2HD PRO 28 -0.473 7.795 -4.822 170 2HD PRO 28 1HD PRO 28 -1.048 7.331 -3.208 171 H VAL 29 H VAL 29 3.095 3.990 -4.381 172 HA VAL 29 HA VAL 29 4.074 4.672 -7.061 173 HB VAL 29 HB VAL 29 5.905 4.947 -4.673 174 1HG1 VAL 29 1HG1 VAL 29 7.357 6.106 -6.171 175 2HG1 VAL 29 2HG1 VAL 29 6.117 6.155 -7.425 176 3HG1 VAL 29 3HG1 VAL 29 6.845 4.616 -6.964 177 1HG2 VAL 29 1HG2 VAL 29 4.744 7.351 -6.019 178 2HG2 VAL 29 2HG2 VAL 29 5.523 7.217 -4.442 179 3HG2 VAL 29 3HG2 VAL 29 3.894 6.582 -4.679 Start of MODEL 15 1 H CYS 1 H CYS 1 2.922 2.277 -5.511 2 HA CYS 1 HA CYS 1 5.287 0.574 -5.301 3 1HB CYS 1 2HB CYS 1 2.438 -0.043 -4.471 4 2HB CYS 1 1HB CYS 1 3.885 -0.958 -4.035 5 H GLY 2 H GLY 2 2.444 1.069 -7.223 6 1HA GLY 2 2HA GLY 2 1.751 0.095 -9.196 7 2HA GLY 2 1HA GLY 2 3.345 -0.653 -9.295 8 H GLU 3 H GLU 3 1.222 -0.947 -6.599 9 HA GLU 3 HA GLU 3 0.549 -3.709 -7.279 10 1HB GLU 3 2HB GLU 3 2.503 -3.839 -5.872 11 2HB GLU 3 1HB GLU 3 1.810 -2.704 -4.726 12 1HG GLU 3 2HG GLU 3 0.136 -4.307 -4.091 13 2HG GLU 3 1HG GLU 3 0.714 -5.420 -5.320 14 H THR 4 H THR 4 -1.337 -4.462 -6.338 15 HA THR 4 HA THR 4 -3.066 -2.377 -5.202 16 HB THR 4 HB THR 4 -4.958 -3.887 -5.865 17 HG1 THR 4 HG1 THR 4 -3.224 -5.671 -6.215 18 1HG2 THR 4 1HG2 THR 4 -5.052 -2.336 -7.474 19 2HG2 THR 4 2HG2 THR 4 -4.154 -3.458 -8.497 20 3HG2 THR 4 3HG2 THR 4 -3.294 -2.228 -7.572 21 H CYS 5 H CYS 5 -4.229 -2.779 -3.349 22 HA CYS 5 HA CYS 5 -3.599 -5.319 -2.010 23 1HB CYS 5 2HB CYS 5 -3.706 -4.242 0.148 24 2HB CYS 5 1HB CYS 5 -2.524 -3.431 -0.856 25 H VAL 6 H VAL 6 -5.589 -5.263 -3.708 26 HA VAL 6 HA VAL 6 -8.123 -4.511 -2.833 27 HB VAL 6 HB VAL 6 -7.576 -7.024 -4.414 28 1HG1 VAL 6 1HG1 VAL 6 -9.884 -6.710 -3.743 29 2HG1 VAL 6 2HG1 VAL 6 -9.720 -6.460 -5.481 30 3HG1 VAL 6 3HG1 VAL 6 -9.874 -5.073 -4.401 31 1HG2 VAL 6 1HG2 VAL 6 -7.040 -5.870 -6.284 32 2HG2 VAL 6 2HG2 VAL 6 -6.469 -4.679 -5.117 33 3HG2 VAL 6 3HG2 VAL 6 -8.058 -4.495 -5.858 34 H GLY 7 H GLY 7 -6.115 -7.250 -2.019 35 1HA GLY 7 2HA GLY 7 -8.238 -8.389 -0.347 36 2HA GLY 7 1HA GLY 7 -6.737 -9.191 -0.790 37 H GLY 8 H GLY 8 -6.599 -5.881 0.223 38 1HA GLY 8 2HA GLY 8 -5.711 -4.864 2.071 39 2HA GLY 8 1HA GLY 8 -6.383 -6.192 3.004 40 H THR 9 H THR 9 -3.916 -6.342 0.477 41 HA THR 9 HA THR 9 -1.858 -6.858 2.471 42 HB THR 9 HB THR 9 -1.357 -8.892 0.690 43 HG1 THR 9 HG1 THR 9 -4.145 -8.992 1.295 44 1HG2 THR 9 1HG2 THR 9 -1.024 -9.263 2.982 45 2HG2 THR 9 2HG2 THR 9 -2.339 -10.360 2.558 46 3HG2 THR 9 3HG2 THR 9 -2.689 -8.841 3.384 47 H CYS 10 H CYS 10 0.210 -6.471 1.759 48 HA CYS 10 HA CYS 10 0.603 -5.731 -1.047 49 1HB CYS 10 2HB CYS 10 1.497 -4.059 1.313 50 2HB CYS 10 1HB CYS 10 1.922 -3.755 -0.364 51 H ASN 11 H ASN 11 2.466 -6.438 -1.860 52 HA ASN 11 HA ASN 11 4.218 -7.995 -0.123 53 1HB ASN 11 2HB ASN 11 4.170 -7.701 -3.137 54 2HB ASN 11 1HB ASN 11 5.205 -8.806 -2.238 55 1HD2 ASN 11 1HD2 ASN 11 2.146 -8.263 -3.608 56 2HD2 ASN 11 2HD2 ASN 11 1.415 -9.765 -3.138 57 H THR 12 H THR 12 4.171 -5.093 -2.057 58 HA THR 12 HA THR 12 6.937 -4.617 -2.227 59 HB THR 12 HB THR 12 5.052 -2.328 -1.910 60 HG1 THR 12 HG1 THR 12 3.892 -3.805 -3.242 61 1HG2 THR 12 1HG2 THR 12 6.692 -1.216 -2.940 62 2HG2 THR 12 2HG2 THR 12 6.750 -2.393 -4.253 63 3HG2 THR 12 3HG2 THR 12 7.682 -2.667 -2.781 64 HA PRO 13 HA PRO 13 7.689 -3.901 2.118 65 1HB PRO 13 2HB PRO 13 10.309 -2.985 1.157 66 2HB PRO 13 1HB PRO 13 9.911 -4.275 2.294 67 1HG PRO 13 2HG PRO 13 10.805 -4.809 -0.182 68 2HG PRO 13 1HG PRO 13 9.603 -5.839 0.620 69 1HD PRO 13 2HD PRO 13 9.211 -3.756 -1.493 70 2HD PRO 13 1HD PRO 13 8.425 -5.339 -1.310 71 H GLY 14 H GLY 14 6.893 -2.183 3.029 72 1HA GLY 14 2HA GLY 14 7.142 0.021 3.868 73 2HA GLY 14 1HA GLY 14 8.026 0.444 2.408 74 H CYS 15 H CYS 15 5.309 -1.402 1.725 75 HA CYS 15 HA CYS 15 3.890 1.048 0.941 76 1HB CYS 15 2HB CYS 15 3.797 -1.743 -0.188 77 2HB CYS 15 1HB CYS 15 2.654 -0.481 -0.648 78 H THR 16 H THR 16 2.179 1.626 1.975 79 HA THR 16 HA THR 16 0.852 -0.174 3.833 80 HB THR 16 HB THR 16 -0.471 1.978 4.337 81 HG1 THR 16 HG1 THR 16 0.297 3.007 2.314 82 1HG2 THR 16 1HG2 THR 16 1.499 2.960 5.596 83 2HG2 THR 16 2HG2 THR 16 2.483 1.705 4.841 84 3HG2 THR 16 3HG2 THR 16 1.149 1.259 5.904 85 H CYS 17 H CYS 17 -1.320 -0.773 3.647 86 HA CYS 17 HA CYS 17 -2.331 -0.822 0.986 87 1HB CYS 17 2HB CYS 17 -2.758 -2.696 2.495 88 2HB CYS 17 1HB CYS 17 -3.683 -1.643 3.561 89 H SER 18 H SER 18 -3.777 0.354 0.044 90 HA SER 18 HA SER 18 -5.496 2.197 1.485 91 1HB SER 18 2HB SER 18 -3.667 3.122 -0.760 92 2HB SER 18 1HB SER 18 -4.824 4.115 0.131 93 HG SER 18 HG SER 18 -3.313 3.021 1.953 94 H TRP 19 H TRP 19 -6.640 0.250 0.732 95 HA TRP 19 HA TRP 19 -7.131 -0.885 -1.527 96 1HB TRP 19 2HB TRP 19 -8.558 -0.946 0.629 97 2HB TRP 19 1HB TRP 19 -9.582 0.227 -0.203 98 HD1 TRP 19 HD1 TRP 19 -8.705 -3.447 -0.145 99 HE1 TRP 19 HE1 TRP 19 -10.135 -4.710 -1.870 100 HE3 TRP 19 HE3 TRP 19 -10.812 0.554 -2.516 101 HZ2 TRP 19 HZ2 TRP 19 -11.925 -4.078 -3.973 102 HZ3 TRP 19 HZ3 TRP 19 -12.351 0.144 -4.383 103 HH2 TRP 19 HH2 TRP 19 -12.888 -2.116 -5.097 104 HA PRO 20 HA PRO 20 -7.682 -1.668 -2.965 105 1HB PRO 20 2HB PRO 20 -7.870 -2.077 -5.580 106 2HB PRO 20 1HB PRO 20 -9.319 -1.778 -4.612 107 1HG PRO 20 2HG PRO 20 -7.914 0.015 -6.514 108 2HG PRO 20 1HG PRO 20 -9.630 -0.041 -6.079 109 1HD PRO 20 2HD PRO 20 -7.613 1.714 -5.049 110 2HD PRO 20 1HD PRO 20 -9.318 1.617 -4.567 111 H VAL 21 H VAL 21 -5.676 0.711 -3.224 112 HA VAL 21 HA VAL 21 -3.625 -0.851 -4.642 113 HB VAL 21 HB VAL 21 -2.684 1.509 -5.255 114 1HG1 VAL 21 1HG1 VAL 21 -3.385 -0.149 -6.890 115 2HG1 VAL 21 2HG1 VAL 21 -3.980 1.444 -7.358 116 3HG1 VAL 21 3HG1 VAL 21 -5.078 0.274 -6.624 117 1HG2 VAL 21 1HG2 VAL 21 -5.613 2.037 -4.762 118 2HG2 VAL 21 2HG2 VAL 21 -4.574 3.085 -5.734 119 3HG2 VAL 21 3HG2 VAL 21 -4.235 2.854 -4.018 120 H CYS 22 H CYS 22 -1.526 -0.744 -3.945 121 HA CYS 22 HA CYS 22 -1.177 -0.049 -1.163 122 1HB CYS 22 2HB CYS 22 0.743 -1.239 -3.185 123 2HB CYS 22 1HB CYS 22 1.069 -1.068 -1.464 124 H THR 23 H THR 23 -0.165 1.699 -0.374 125 HA THR 23 HA THR 23 1.064 3.554 -2.308 126 HB THR 23 HB THR 23 0.430 5.361 -0.731 127 HG1 THR 23 HG1 THR 23 -1.500 3.978 0.602 128 1HG2 THR 23 1HG2 THR 23 -1.644 3.622 -2.010 129 2HG2 THR 23 2HG2 THR 23 -1.074 5.222 -2.489 130 3HG2 THR 23 3HG2 THR 23 -2.135 5.045 -1.091 131 H ARG 24 H ARG 24 2.938 4.655 -1.703 132 HA ARG 24 HA ARG 24 4.331 3.524 0.633 133 1HB ARG 24 2HB ARG 24 5.422 3.094 -1.550 134 2HB ARG 24 1HB ARG 24 5.498 4.826 -1.839 135 1HG ARG 24 2HG ARG 24 6.929 5.072 0.150 136 2HG ARG 24 1HG ARG 24 6.898 3.319 0.360 137 1HD ARG 24 2HD ARG 24 7.939 4.772 -2.071 138 2HD ARG 24 1HD ARG 24 8.936 4.102 -0.783 139 HE ARG 24 HE ARG 24 7.820 2.696 -2.978 140 1HH1 ARG 24 1HH1 ARG 24 8.606 2.321 0.418 141 2HH1 ARG 24 2HH1 ARG 24 8.766 0.594 0.321 142 1HH2 ARG 24 1HH2 ARG 24 8.049 0.423 -3.101 143 2HH2 ARG 24 2HH2 ARG 24 8.451 -0.476 -1.674 144 H ASN 25 H ASN 25 4.277 4.869 2.300 145 HA ASN 25 HA ASN 25 4.285 6.750 3.582 146 1HB ASN 25 2HB ASN 25 5.501 8.187 1.211 147 2HB ASN 25 1HB ASN 25 5.588 8.663 2.901 148 1HD2 ASN 25 1HD2 ASN 25 7.400 7.594 0.537 149 2HD2 ASN 25 2HD2 ASN 25 8.530 6.611 1.395 150 H GLY 26 H GLY 26 2.011 6.084 2.012 151 1HA GLY 26 2HA GLY 26 -0.082 6.982 1.657 152 2HA GLY 26 1HA GLY 26 0.537 8.525 2.230 153 H LEU 27 H LEU 27 2.075 6.821 -0.382 154 HA LEU 27 HA LEU 27 0.783 8.525 -2.379 155 1HB LEU 27 2HB LEU 27 2.829 9.682 -1.578 156 2HB LEU 27 1HB LEU 27 3.779 8.284 -2.035 157 HG LEU 27 HG LEU 27 2.148 9.603 -4.148 158 1HD1 LEU 27 1HD1 LEU 27 4.646 10.734 -2.908 159 2HD1 LEU 27 2HD1 LEU 27 3.102 11.543 -3.185 160 3HD1 LEU 27 3HD1 LEU 27 4.135 11.123 -4.552 161 1HD2 LEU 27 1HD2 LEU 27 4.157 7.626 -4.007 162 2HD2 LEU 27 2HD2 LEU 27 4.860 9.020 -4.828 163 3HD2 LEU 27 3HD2 LEU 27 3.380 8.287 -5.446 164 HA PRO 28 HA PRO 28 0.782 4.459 -4.246 165 1HB PRO 28 2HB PRO 28 -0.243 5.879 -6.610 166 2HB PRO 28 1HB PRO 28 -0.972 4.579 -5.665 167 1HG PRO 28 2HG PRO 28 -1.902 7.099 -5.553 168 2HG PRO 28 1HG PRO 28 -1.910 6.034 -4.134 169 1HD PRO 28 2HD PRO 28 -0.020 8.252 -4.832 170 2HD PRO 28 1HD PRO 28 -0.718 7.819 -3.256 171 H VAL 29 H VAL 29 2.866 3.952 -4.607 172 HA VAL 29 HA VAL 29 3.911 4.490 -7.255 173 HB VAL 29 HB VAL 29 4.753 6.354 -5.782 174 1HG1 VAL 29 1HG1 VAL 29 5.422 5.820 -3.738 175 2HG1 VAL 29 2HG1 VAL 29 6.902 5.216 -4.482 176 3HG1 VAL 29 3HG1 VAL 29 5.569 4.111 -4.145 177 1HG2 VAL 29 1HG2 VAL 29 6.704 4.498 -7.114 178 2HG2 VAL 29 2HG2 VAL 29 7.163 6.082 -6.492 179 3HG2 VAL 29 3HG2 VAL 29 5.955 5.953 -7.769 Start of MODEL 16 1 H CYS 1 H CYS 1 3.052 2.265 -5.576 2 HA CYS 1 HA CYS 1 5.390 0.500 -5.416 3 1HB CYS 1 2HB CYS 1 2.570 -0.146 -4.521 4 2HB CYS 1 1HB CYS 1 4.062 -0.977 -4.073 5 H GLY 2 H GLY 2 2.479 1.170 -7.179 6 1HA GLY 2 2HA GLY 2 1.639 0.291 -9.140 7 2HA GLY 2 1HA GLY 2 3.208 -0.483 -9.368 8 H GLU 3 H GLU 3 1.268 -0.857 -6.556 9 HA GLU 3 HA GLU 3 0.560 -3.605 -7.283 10 1HB GLU 3 2HB GLU 3 2.515 -3.718 -5.886 11 2HB GLU 3 1HB GLU 3 1.828 -2.578 -4.744 12 1HG GLU 3 2HG GLU 3 0.146 -4.209 -4.112 13 2HG GLU 3 1HG GLU 3 0.808 -5.341 -5.285 14 H THR 4 H THR 4 -1.315 -4.386 -6.324 15 HA THR 4 HA THR 4 -3.059 -2.318 -5.175 16 HB THR 4 HB THR 4 -4.945 -3.829 -5.856 17 HG1 THR 4 HG1 THR 4 -3.187 -5.591 -6.249 18 1HG2 THR 4 1HG2 THR 4 -4.142 -3.349 -8.484 19 2HG2 THR 4 2HG2 THR 4 -3.299 -2.126 -7.534 20 3HG2 THR 4 3HG2 THR 4 -5.056 -2.257 -7.442 21 H CYS 5 H CYS 5 -4.212 -2.749 -3.325 22 HA CYS 5 HA CYS 5 -3.565 -5.305 -2.026 23 1HB CYS 5 2HB CYS 5 -3.675 -4.261 0.148 24 2HB CYS 5 1HB CYS 5 -2.504 -3.425 -0.845 25 H VAL 6 H VAL 6 -5.552 -5.251 -3.719 26 HA VAL 6 HA VAL 6 -8.095 -4.535 -2.835 27 HB VAL 6 HB VAL 6 -7.510 -7.020 -4.447 28 1HG1 VAL 6 1HG1 VAL 6 -9.667 -6.488 -5.502 29 2HG1 VAL 6 2HG1 VAL 6 -9.843 -5.112 -4.412 30 3HG1 VAL 6 3HG1 VAL 6 -9.824 -6.753 -3.765 31 1HG2 VAL 6 1HG2 VAL 6 -8.033 -4.460 -5.835 32 2HG2 VAL 6 2HG2 VAL 6 -7.031 -5.829 -6.317 33 3HG2 VAL 6 3HG2 VAL 6 -6.430 -4.671 -5.130 34 H GLY 7 H GLY 7 -6.052 -7.255 -2.050 35 1HA GLY 7 2HA GLY 7 -8.159 -8.451 -0.399 36 2HA GLY 7 1HA GLY 7 -6.634 -9.213 -0.833 37 H GLY 8 H GLY 8 -6.567 -5.911 0.191 38 1HA GLY 8 2HA GLY 8 -5.726 -4.879 2.053 39 2HA GLY 8 1HA GLY 8 -6.378 -6.224 2.975 40 H THR 9 H THR 9 -3.889 -6.344 0.469 41 HA THR 9 HA THR 9 -1.824 -6.765 2.471 42 HB THR 9 HB THR 9 -1.276 -8.868 0.807 43 HG1 THR 9 HG1 THR 9 -4.080 -8.976 1.336 44 1HG2 THR 9 1HG2 THR 9 -2.698 -8.739 3.455 45 2HG2 THR 9 2HG2 THR 9 -1.005 -9.113 3.131 46 3HG2 THR 9 3HG2 THR 9 -2.261 -10.275 2.706 47 H CYS 10 H CYS 10 0.229 -6.366 1.742 48 HA CYS 10 HA CYS 10 0.602 -5.726 -1.096 49 1HB CYS 10 2HB CYS 10 1.555 -4.004 1.208 50 2HB CYS 10 1HB CYS 10 1.914 -3.730 -0.491 51 H ASN 11 H ASN 11 2.501 -6.438 -1.911 52 HA ASN 11 HA ASN 11 4.212 -7.976 -0.116 53 1HB ASN 11 2HB ASN 11 4.047 -7.785 -3.125 54 2HB ASN 11 1HB ASN 11 5.334 -8.658 -2.303 55 1HD2 ASN 11 1HD2 ASN 11 2.560 -8.870 -0.485 56 2HD2 ASN 11 2HD2 ASN 11 1.981 -10.393 -1.055 57 H THR 12 H THR 12 4.238 -5.072 -2.049 58 HA THR 12 HA THR 12 7.016 -4.626 -2.132 59 HB THR 12 HB THR 12 5.111 -2.337 -1.878 60 HG1 THR 12 HG1 THR 12 3.999 -3.711 -3.287 61 1HG2 THR 12 1HG2 THR 12 6.774 -1.188 -2.841 62 2HG2 THR 12 2HG2 THR 12 6.965 -2.392 -4.117 63 3HG2 THR 12 3HG2 THR 12 7.787 -2.607 -2.571 64 HA PRO 13 HA PRO 13 7.600 -3.955 2.249 65 1HB PRO 13 2HB PRO 13 10.291 -3.121 1.410 66 2HB PRO 13 1HB PRO 13 9.799 -4.404 2.516 67 1HG PRO 13 2HG PRO 13 10.784 -4.951 0.078 68 2HG PRO 13 1HG PRO 13 9.513 -5.945 0.818 69 1HD PRO 13 2HD PRO 13 9.283 -3.828 -1.288 70 2HD PRO 13 1HD PRO 13 8.445 -5.390 -1.162 71 H GLY 14 H GLY 14 6.757 -2.204 3.085 72 1HA GLY 14 2HA GLY 14 7.122 -0.002 3.953 73 2HA GLY 14 1HA GLY 14 7.990 0.392 2.475 74 H CYS 15 H CYS 15 5.358 -1.372 1.597 75 HA CYS 15 HA CYS 15 3.925 1.087 0.911 76 1HB CYS 15 2HB CYS 15 3.778 -1.705 -0.216 77 2HB CYS 15 1HB CYS 15 2.674 -0.412 -0.688 78 H THR 16 H THR 16 2.191 1.683 1.908 79 HA THR 16 HA THR 16 0.885 -0.089 3.806 80 HB THR 16 HB THR 16 -0.457 2.126 4.199 81 HG1 THR 16 HG1 THR 16 0.359 3.220 2.344 82 1HG2 THR 16 1HG2 THR 16 0.821 1.688 6.013 83 2HG2 THR 16 2HG2 THR 16 1.818 2.994 5.372 84 3HG2 THR 16 3HG2 THR 16 2.248 1.314 5.049 85 H CYS 17 H CYS 17 -1.261 -0.744 3.636 86 HA CYS 17 HA CYS 17 -2.315 -0.803 0.990 87 1HB CYS 17 2HB CYS 17 -2.673 -2.698 2.486 88 2HB CYS 17 1HB CYS 17 -3.595 -1.676 3.584 89 H SER 18 H SER 18 -3.811 0.345 0.079 90 HA SER 18 HA SER 18 -5.557 2.125 1.561 91 1HB SER 18 2HB SER 18 -3.762 3.140 -0.670 92 2HB SER 18 1HB SER 18 -4.944 4.085 0.237 93 HG SER 18 HG SER 18 -3.400 3.006 2.040 94 H TRP 19 H TRP 19 -6.682 0.187 0.784 95 HA TRP 19 HA TRP 19 -7.156 -0.927 -1.493 96 1HB TRP 19 2HB TRP 19 -8.580 -1.038 0.663 97 2HB TRP 19 1HB TRP 19 -9.620 0.135 -0.148 98 HD1 TRP 19 HD1 TRP 19 -8.699 -3.529 -0.145 99 HE1 TRP 19 HE1 TRP 19 -10.119 -4.784 -1.883 100 HE3 TRP 19 HE3 TRP 19 -10.858 0.480 -2.457 101 HZ2 TRP 19 HZ2 TRP 19 -11.921 -4.145 -3.973 102 HZ3 TRP 19 HZ3 TRP 19 -12.397 0.077 -4.325 103 HH2 TRP 19 HH2 TRP 19 -12.911 -2.179 -5.067 104 HA PRO 20 HA PRO 20 -7.703 -1.696 -2.943 105 1HB PRO 20 2HB PRO 20 -7.896 -2.070 -5.563 106 2HB PRO 20 1HB PRO 20 -9.345 -1.804 -4.586 107 1HG PRO 20 2HG PRO 20 -7.973 0.035 -6.468 108 2HG PRO 20 1HG PRO 20 -9.685 -0.049 -6.024 109 1HD PRO 20 2HD PRO 20 -7.683 1.713 -4.979 110 2HD PRO 20 1HD PRO 20 -9.384 1.591 -4.492 111 H VAL 21 H VAL 21 -5.744 0.738 -3.219 112 HA VAL 21 HA VAL 21 -3.672 -0.785 -4.654 113 HB VAL 21 HB VAL 21 -2.768 1.600 -5.231 114 1HG1 VAL 21 1HG1 VAL 21 -5.152 0.355 -6.610 115 2HG1 VAL 21 2HG1 VAL 21 -3.456 -0.044 -6.889 116 3HG1 VAL 21 3HG1 VAL 21 -4.071 1.549 -7.329 117 1HG2 VAL 21 1HG2 VAL 21 -4.320 2.913 -3.975 118 2HG2 VAL 21 2HG2 VAL 21 -5.696 2.072 -4.693 119 3HG2 VAL 21 3HG2 VAL 21 -4.702 3.145 -5.682 120 H CYS 22 H CYS 22 -1.570 -0.657 -3.961 121 HA CYS 22 HA CYS 22 -1.229 -0.002 -1.168 122 1HB CYS 22 2HB CYS 22 0.699 -1.138 -3.211 123 2HB CYS 22 1HB CYS 22 1.032 -0.986 -1.492 124 H THR 23 H THR 23 -0.442 1.838 -0.402 125 HA THR 23 HA THR 23 0.727 3.754 -2.285 126 HB THR 23 HB THR 23 0.357 5.415 -0.431 127 HG1 THR 23 HG1 THR 23 -1.556 3.961 0.845 128 1HG2 THR 23 1HG2 THR 23 -2.326 4.936 -0.638 129 2HG2 THR 23 2HG2 THR 23 -1.694 4.034 -2.015 130 3HG2 THR 23 3HG2 THR 23 -1.352 5.757 -1.856 131 H ARG 24 H ARG 24 2.658 4.793 -1.857 132 HA ARG 24 HA ARG 24 4.379 3.425 0.080 133 1HB ARG 24 2HB ARG 24 4.789 4.149 -2.610 134 2HB ARG 24 1HB ARG 24 5.752 5.279 -1.669 135 1HG ARG 24 2HG ARG 24 5.886 2.280 -1.414 136 2HG ARG 24 1HG ARG 24 7.000 3.266 -2.364 137 1HD ARG 24 2HD ARG 24 7.783 4.386 -0.396 138 2HD ARG 24 1HD ARG 24 6.544 3.616 0.594 139 HE ARG 24 HE ARG 24 7.981 1.552 -0.511 140 1HH1 ARG 24 1HH1 ARG 24 8.714 4.305 1.514 141 2HH1 ARG 24 2HH1 ARG 24 10.005 3.517 2.354 142 1HH2 ARG 24 1HH2 ARG 24 9.669 0.482 0.615 143 2HH2 ARG 24 2HH2 ARG 24 10.557 1.339 1.835 144 H ASN 25 H ASN 25 4.301 4.429 1.937 145 HA ASN 25 HA ASN 25 4.132 5.983 3.545 146 1HB ASN 25 2HB ASN 25 5.790 7.740 3.558 147 2HB ASN 25 1HB ASN 25 6.493 6.273 2.902 148 1HD2 ASN 25 1HD2 ASN 25 7.670 6.508 1.145 149 2HD2 ASN 25 2HD2 ASN 25 7.591 7.822 0.032 150 H GLY 26 H GLY 26 2.083 6.172 1.494 151 1HA GLY 26 2HA GLY 26 0.258 7.762 2.098 152 2HA GLY 26 1HA GLY 26 1.436 9.033 1.840 153 H LEU 27 H LEU 27 2.500 7.683 -0.627 154 HA LEU 27 HA LEU 27 0.164 8.171 -2.357 155 1HB LEU 27 2HB LEU 27 1.581 9.301 -3.984 156 2HB LEU 27 1HB LEU 27 1.587 10.133 -2.445 157 HG LEU 27 HG LEU 27 3.810 8.246 -3.181 158 1HD1 LEU 27 1HD1 LEU 27 3.696 11.193 -3.810 159 2HD1 LEU 27 2HD1 LEU 27 3.539 9.901 -5.001 160 3HD1 LEU 27 3HD1 LEU 27 5.047 10.099 -4.108 161 1HD2 LEU 27 1HD2 LEU 27 5.010 10.044 -1.736 162 2HD2 LEU 27 2HD2 LEU 27 4.018 8.819 -0.947 163 3HD2 LEU 27 3HD2 LEU 27 3.379 10.444 -1.197 164 HA PRO 28 HA PRO 28 0.977 4.185 -4.015 165 1HB PRO 28 2HB PRO 28 -0.240 5.219 -6.502 166 2HB PRO 28 1HB PRO 28 -0.717 3.852 -5.490 167 1HG PRO 28 2HG PRO 28 -2.131 6.126 -5.515 168 2HG PRO 28 1HG PRO 28 -1.918 5.182 -4.028 169 1HD PRO 28 2HD PRO 28 -0.543 7.693 -4.895 170 2HD PRO 28 1HD PRO 28 -1.110 7.218 -3.280 171 H VAL 29 H VAL 29 3.097 3.929 -4.350 172 HA VAL 29 HA VAL 29 4.139 4.569 -7.012 173 HB VAL 29 HB VAL 29 5.887 4.929 -4.567 174 1HG1 VAL 29 1HG1 VAL 29 6.349 6.294 -7.169 175 2HG1 VAL 29 2HG1 VAL 29 6.687 4.566 -7.055 176 3HG1 VAL 29 3HG1 VAL 29 7.509 5.698 -5.981 177 1HG2 VAL 29 1HG2 VAL 29 5.536 7.469 -5.488 178 2HG2 VAL 29 2HG2 VAL 29 4.715 6.779 -4.088 179 3HG2 VAL 29 3HG2 VAL 29 3.914 6.798 -5.660 Start of MODEL 17 1 H CYS 1 H CYS 1 2.943 2.274 -5.328 2 HA CYS 1 HA CYS 1 5.324 0.593 -5.339 3 1HB CYS 1 2HB CYS 1 2.530 -0.215 -4.497 4 2HB CYS 1 1HB CYS 1 4.061 -0.958 -4.026 5 H GLY 2 H GLY 2 2.434 1.196 -7.138 6 1HA GLY 2 2HA GLY 2 1.660 0.327 -9.133 7 2HA GLY 2 1HA GLY 2 3.242 -0.433 -9.326 8 H GLU 3 H GLU 3 1.255 -0.818 -6.556 9 HA GLU 3 HA GLU 3 0.575 -3.572 -7.283 10 1HB GLU 3 2HB GLU 3 2.526 -3.660 -5.874 11 2HB GLU 3 1HB GLU 3 1.817 -2.534 -4.737 12 1HG GLU 3 2HG GLU 3 0.173 -4.176 -4.091 13 2HG GLU 3 1HG GLU 3 0.807 -5.296 -5.290 14 H THR 4 H THR 4 -1.301 -4.358 -6.359 15 HA THR 4 HA THR 4 -3.065 -2.317 -5.191 16 HB THR 4 HB THR 4 -4.938 -3.824 -5.919 17 HG1 THR 4 HG1 THR 4 -3.169 -5.573 -6.324 18 1HG2 THR 4 1HG2 THR 4 -3.286 -2.082 -7.547 19 2HG2 THR 4 2HG2 THR 4 -5.043 -2.228 -7.482 20 3HG2 THR 4 3HG2 THR 4 -4.107 -3.295 -8.530 21 H CYS 5 H CYS 5 -4.235 -2.794 -3.359 22 HA CYS 5 HA CYS 5 -3.568 -5.366 -2.103 23 1HB CYS 5 2HB CYS 5 -3.700 -4.371 0.085 24 2HB CYS 5 1HB CYS 5 -2.552 -3.475 -0.886 25 H VAL 6 H VAL 6 -5.539 -5.308 -3.816 26 HA VAL 6 HA VAL 6 -8.101 -4.649 -2.945 27 HB VAL 6 HB VAL 6 -7.461 -7.093 -4.599 28 1HG1 VAL 6 1HG1 VAL 6 -9.825 -5.222 -4.550 29 2HG1 VAL 6 2HG1 VAL 6 -9.785 -6.876 -3.936 30 3HG1 VAL 6 3HG1 VAL 6 -9.615 -6.573 -5.666 31 1HG2 VAL 6 1HG2 VAL 6 -8.009 -4.515 -5.942 32 2HG2 VAL 6 2HG2 VAL 6 -6.983 -5.859 -6.442 33 3HG2 VAL 6 3HG2 VAL 6 -6.411 -4.716 -5.226 34 H GLY 7 H GLY 7 -6.021 -7.347 -2.187 35 1HA GLY 7 2HA GLY 7 -8.124 -8.609 -0.579 36 2HA GLY 7 1HA GLY 7 -6.583 -9.337 -1.014 37 H GLY 8 H GLY 8 -6.574 -6.056 0.068 38 1HA GLY 8 2HA GLY 8 -5.768 -5.042 1.954 39 2HA GLY 8 1HA GLY 8 -6.407 -6.413 2.848 40 H THR 9 H THR 9 -3.893 -6.454 0.364 41 HA THR 9 HA THR 9 -1.838 -6.870 2.377 42 HB THR 9 HB THR 9 -1.245 -8.946 0.697 43 HG1 THR 9 HG1 THR 9 -4.050 -9.105 1.198 44 1HG2 THR 9 1HG2 THR 9 -2.871 -9.944 2.837 45 2HG2 THR 9 2HG2 THR 9 -1.925 -8.568 3.406 46 3HG2 THR 9 3HG2 THR 9 -1.115 -9.956 2.679 47 H CYS 10 H CYS 10 0.216 -6.436 1.669 48 HA CYS 10 HA CYS 10 0.606 -5.764 -1.160 49 1HB CYS 10 2HB CYS 10 1.521 -4.048 1.164 50 2HB CYS 10 1HB CYS 10 1.879 -3.754 -0.531 51 H ASN 11 H ASN 11 2.521 -6.450 -1.960 52 HA ASN 11 HA ASN 11 4.219 -8.002 -0.173 53 1HB ASN 11 2HB ASN 11 4.132 -7.713 -3.178 54 2HB ASN 11 1HB ASN 11 5.401 -8.606 -2.349 55 1HD2 ASN 11 1HD2 ASN 11 2.563 -8.884 -0.632 56 2HD2 ASN 11 2HD2 ASN 11 2.017 -10.395 -1.265 57 H THR 12 H THR 12 4.261 -5.040 -2.016 58 HA THR 12 HA THR 12 7.039 -4.565 -2.002 59 HB THR 12 HB THR 12 5.081 -2.313 -1.773 60 HG1 THR 12 HG1 THR 12 4.075 -3.679 -3.269 61 1HG2 THR 12 1HG2 THR 12 7.462 -2.714 -3.589 62 2HG2 THR 12 2HG2 THR 12 7.553 -1.950 -2.003 63 3HG2 THR 12 3HG2 THR 12 6.589 -1.213 -3.281 64 HA PRO 13 HA PRO 13 7.447 -3.967 2.417 65 1HB PRO 13 2HB PRO 13 10.184 -3.144 1.714 66 2HB PRO 13 1HB PRO 13 9.630 -4.450 2.764 67 1HG PRO 13 2HG PRO 13 10.719 -4.941 0.357 68 2HG PRO 13 1HG PRO 13 9.414 -5.945 1.016 69 1HD PRO 13 2HD PRO 13 9.280 -3.771 -1.040 70 2HD PRO 13 1HD PRO 13 8.439 -5.336 -0.997 71 H GLY 14 H GLY 14 6.556 -2.214 3.220 72 1HA GLY 14 2HA GLY 14 6.985 -0.002 4.117 73 2HA GLY 14 1HA GLY 14 7.783 0.391 2.600 74 H CYS 15 H CYS 15 5.337 -1.327 1.528 75 HA CYS 15 HA CYS 15 3.754 1.055 1.015 76 1HB CYS 15 2HB CYS 15 3.687 -1.714 -0.176 77 2HB CYS 15 1HB CYS 15 2.559 -0.433 -0.624 78 H THR 16 H THR 16 2.013 1.561 2.038 79 HA THR 16 HA THR 16 0.751 -0.320 3.863 80 HB THR 16 HB THR 16 -0.644 1.839 4.358 81 HG1 THR 16 HG1 THR 16 0.166 3.015 2.529 82 1HG2 THR 16 1HG2 THR 16 1.394 2.725 5.711 83 2HG2 THR 16 2HG2 THR 16 2.206 1.286 5.094 84 3HG2 THR 16 3HG2 THR 16 0.746 1.124 6.072 85 H CYS 17 H CYS 17 -1.426 -0.941 3.698 86 HA CYS 17 HA CYS 17 -2.446 -0.964 1.034 87 1HB CYS 17 2HB CYS 17 -2.805 -2.889 2.498 88 2HB CYS 17 1HB CYS 17 -3.760 -1.893 3.592 89 H SER 18 H SER 18 -3.937 0.191 0.130 90 HA SER 18 HA SER 18 -5.718 1.926 1.620 91 1HB SER 18 2HB SER 18 -3.889 3.001 -0.557 92 2HB SER 18 1HB SER 18 -5.103 3.918 0.339 93 HG SER 18 HG SER 18 -3.583 2.817 2.154 94 H TRP 19 H TRP 19 -6.807 -0.008 0.780 95 HA TRP 19 HA TRP 19 -7.236 -1.071 -1.529 96 1HB TRP 19 2HB TRP 19 -8.688 -1.254 0.603 97 2HB TRP 19 1HB TRP 19 -9.729 -0.072 -0.192 98 HD1 TRP 19 HD1 TRP 19 -8.772 -3.724 -0.267 99 HE1 TRP 19 HE1 TRP 19 -10.156 -4.948 -2.057 100 HE3 TRP 19 HE3 TRP 19 -10.938 0.320 -2.510 101 HZ2 TRP 19 HZ2 TRP 19 -11.935 -4.275 -4.155 102 HZ3 TRP 19 HZ3 TRP 19 -12.449 -0.050 -4.409 103 HH2 TRP 19 HH2 TRP 19 -12.929 -2.293 -5.214 104 HA PRO 20 HA PRO 20 -7.743 -1.808 -3.006 105 1HB PRO 20 2HB PRO 20 -7.903 -2.119 -5.637 106 2HB PRO 20 1HB PRO 20 -9.366 -1.898 -4.669 107 1HG PRO 20 2HG PRO 20 -8.002 0.004 -6.493 108 2HG PRO 20 1HG PRO 20 -9.716 -0.112 -6.065 109 1HD PRO 20 2HD PRO 20 -7.741 1.647 -4.959 110 2HD PRO 20 1HD PRO 20 -9.447 1.500 -4.495 111 H VAL 21 H VAL 21 -5.820 0.665 -3.206 112 HA VAL 21 HA VAL 21 -3.709 -0.788 -4.659 113 HB VAL 21 HB VAL 21 -2.835 1.628 -5.153 114 1HG1 VAL 21 1HG1 VAL 21 -5.188 0.397 -6.596 115 2HG1 VAL 21 2HG1 VAL 21 -3.486 0.019 -6.864 116 3HG1 VAL 21 3HG1 VAL 21 -4.107 1.619 -7.268 117 1HG2 VAL 21 1HG2 VAL 21 -5.775 2.034 -4.625 118 2HG2 VAL 21 2HG2 VAL 21 -4.794 3.151 -5.580 119 3HG2 VAL 21 3HG2 VAL 21 -4.417 2.881 -3.878 120 H CYS 22 H CYS 22 -1.599 -0.603 -3.960 121 HA CYS 22 HA CYS 22 -1.311 -0.058 -1.134 122 1HB CYS 22 2HB CYS 22 0.650 -1.103 -3.196 123 2HB CYS 22 1HB CYS 22 0.977 -0.991 -1.470 124 H THR 23 H THR 23 -0.542 1.749 -0.276 125 HA THR 23 HA THR 23 0.600 3.783 -2.051 126 HB THR 23 HB THR 23 0.251 5.299 -0.040 127 HG1 THR 23 HG1 THR 23 -1.714 3.752 1.039 128 1HG2 THR 23 1HG2 THR 23 -2.101 3.956 -1.372 129 2HG2 THR 23 2HG2 THR 23 -1.283 5.438 -1.867 130 3HG2 THR 23 3HG2 THR 23 -2.236 5.410 -0.383 131 H ARG 24 H ARG 24 2.536 4.840 -1.538 132 HA ARG 24 HA ARG 24 4.138 3.607 0.592 133 1HB ARG 24 2HB ARG 24 4.733 2.749 -1.724 134 2HB ARG 24 1HB ARG 24 5.252 4.386 -2.105 135 1HG ARG 24 2HG ARG 24 6.936 4.297 -0.376 136 2HG ARG 24 1HG ARG 24 6.374 2.700 0.124 137 1HD ARG 24 2HD ARG 24 8.334 2.454 -1.254 138 2HD ARG 24 1HD ARG 24 6.928 1.842 -2.125 139 HE ARG 24 HE ARG 24 7.495 4.586 -2.719 140 1HH1 ARG 24 1HH1 ARG 24 8.308 1.277 -3.499 141 2HH1 ARG 24 2HH1 ARG 24 8.930 1.656 -5.071 142 1HH2 ARG 24 1HH2 ARG 24 8.328 5.104 -4.791 143 2HH2 ARG 24 2HH2 ARG 24 8.936 3.844 -5.809 144 H ASN 25 H ASN 25 5.127 5.033 1.843 145 HA ASN 25 HA ASN 25 5.458 7.007 2.881 146 1HB ASN 25 2HB ASN 25 7.004 8.555 1.720 147 2HB ASN 25 1HB ASN 25 7.524 6.880 1.684 148 1HD2 ASN 25 1HD2 ASN 25 6.689 9.633 -0.139 149 2HD2 ASN 25 2HD2 ASN 25 6.936 8.955 -1.707 150 H GLY 26 H GLY 26 2.836 6.935 1.822 151 1HA GLY 26 2HA GLY 26 1.230 8.643 2.181 152 2HA GLY 26 1HA GLY 26 2.410 9.827 1.668 153 H LEU 27 H LEU 27 2.488 7.398 -0.632 154 HA LEU 27 HA LEU 27 0.111 8.115 -2.066 155 1HB LEU 27 2HB LEU 27 1.137 9.220 -3.966 156 2HB LEU 27 1HB LEU 27 1.409 10.135 -2.500 157 HG LEU 27 HG LEU 27 3.521 8.287 -3.583 158 1HD1 LEU 27 1HD1 LEU 27 2.513 10.691 -4.808 159 2HD1 LEU 27 2HD1 LEU 27 3.758 9.579 -5.376 160 3HD1 LEU 27 3HD1 LEU 27 4.187 10.904 -4.293 161 1HD2 LEU 27 1HD2 LEU 27 4.947 9.340 -2.147 162 2HD2 LEU 27 2HD2 LEU 27 3.449 9.516 -1.233 163 3HD2 LEU 27 3HD2 LEU 27 4.055 10.860 -2.202 164 HA PRO 28 HA PRO 28 0.885 4.156 -3.788 165 1HB PRO 28 2HB PRO 28 -0.549 4.997 -6.213 166 2HB PRO 28 1HB PRO 28 -0.949 3.738 -5.042 167 1HG PRO 28 2HG PRO 28 -2.342 6.036 -5.193 168 2HG PRO 28 1HG PRO 28 -2.070 5.197 -3.653 169 1HD PRO 28 2HD PRO 28 -0.695 7.611 -4.768 170 2HD PRO 28 1HD PRO 28 -1.198 7.269 -3.098 171 H VAL 29 H VAL 29 2.987 3.963 -4.295 172 HA VAL 29 HA VAL 29 3.763 4.580 -7.058 173 HB VAL 29 HB VAL 29 5.769 4.970 -4.842 174 1HG1 VAL 29 1HG1 VAL 29 5.587 5.943 -7.688 175 2HG1 VAL 29 2HG1 VAL 29 6.692 4.729 -7.042 176 3HG1 VAL 29 3HG1 VAL 29 6.849 6.417 -6.550 177 1HG2 VAL 29 1HG2 VAL 29 3.740 6.500 -4.558 178 2HG2 VAL 29 2HG2 VAL 29 4.284 7.282 -6.043 179 3HG2 VAL 29 3HG2 VAL 29 5.332 7.255 -4.625 Start of MODEL 18 1 H CYS 1 H CYS 1 2.930 2.227 -5.592 2 HA CYS 1 HA CYS 1 5.380 0.617 -5.435 3 1HB CYS 1 2HB CYS 1 2.601 -0.189 -4.532 4 2HB CYS 1 1HB CYS 1 4.136 -0.948 -4.100 5 H GLY 2 H GLY 2 2.484 1.149 -7.224 6 1HA GLY 2 2HA GLY 2 1.718 0.243 -9.204 7 2HA GLY 2 1HA GLY 2 3.285 -0.552 -9.362 8 H GLU 3 H GLU 3 1.309 -0.847 -6.570 9 HA GLU 3 HA GLU 3 0.598 -3.606 -7.261 10 1HB GLU 3 2HB GLU 3 2.555 -3.476 -5.719 11 2HB GLU 3 1HB GLU 3 1.550 -2.600 -4.574 12 1HG GLU 3 2HG GLU 3 0.038 -4.551 -4.490 13 2HG GLU 3 1HG GLU 3 1.170 -5.409 -5.521 14 H THR 4 H THR 4 -1.284 -4.399 -6.233 15 HA THR 4 HA THR 4 -3.049 -2.299 -5.183 16 HB THR 4 HB THR 4 -4.940 -3.809 -5.922 17 HG1 THR 4 HG1 THR 4 -2.992 -4.914 -7.683 18 1HG2 THR 4 1HG2 THR 4 -3.299 -2.010 -7.501 19 2HG2 THR 4 2HG2 THR 4 -5.056 -2.162 -7.427 20 3HG2 THR 4 3HG2 THR 4 -4.125 -3.194 -8.516 21 H CYS 5 H CYS 5 -4.260 -2.762 -3.365 22 HA CYS 5 HA CYS 5 -3.593 -5.319 -2.079 23 1HB CYS 5 2HB CYS 5 -3.729 -4.300 0.099 24 2HB CYS 5 1HB CYS 5 -2.581 -3.414 -0.880 25 H VAL 6 H VAL 6 -5.549 -5.300 -3.788 26 HA VAL 6 HA VAL 6 -8.119 -4.639 -2.923 27 HB VAL 6 HB VAL 6 -7.472 -7.086 -4.568 28 1HG1 VAL 6 1HG1 VAL 6 -9.625 -6.576 -5.638 29 2HG1 VAL 6 2HG1 VAL 6 -9.834 -5.212 -4.539 30 3HG1 VAL 6 3HG1 VAL 6 -9.799 -6.858 -3.906 31 1HG2 VAL 6 1HG2 VAL 6 -7.687 -5.534 -6.543 32 2HG2 VAL 6 2HG2 VAL 6 -6.211 -5.357 -5.593 33 3HG2 VAL 6 3HG2 VAL 6 -7.525 -4.195 -5.404 34 H GLY 7 H GLY 7 -6.013 -7.313 -2.161 35 1HA GLY 7 2HA GLY 7 -8.096 -8.613 -0.563 36 2HA GLY 7 1HA GLY 7 -6.526 -9.295 -0.964 37 H GLY 8 H GLY 8 -6.581 -6.011 0.064 38 1HA GLY 8 2HA GLY 8 -5.838 -4.956 1.954 39 2HA GLY 8 1HA GLY 8 -6.485 -6.316 2.856 40 H THR 9 H THR 9 -3.904 -6.368 0.437 41 HA THR 9 HA THR 9 -1.902 -6.727 2.516 42 HB THR 9 HB THR 9 -1.256 -8.824 0.855 43 HG1 THR 9 HG1 THR 9 -4.061 -8.978 1.374 44 1HG2 THR 9 1HG2 THR 9 -2.483 -8.563 3.551 45 2HG2 THR 9 2HG2 THR 9 -0.937 -9.264 3.076 46 3HG2 THR 9 3HG2 THR 9 -2.429 -10.169 2.825 47 H CYS 10 H CYS 10 0.186 -6.312 1.843 48 HA CYS 10 HA CYS 10 0.609 -5.652 -0.982 49 1HB CYS 10 2HB CYS 10 1.467 -3.916 1.345 50 2HB CYS 10 1HB CYS 10 1.882 -3.640 -0.340 51 H ASN 11 H ASN 11 2.477 -6.355 -1.766 52 HA ASN 11 HA ASN 11 4.221 -7.873 0.011 53 1HB ASN 11 2HB ASN 11 4.050 -7.662 -2.997 54 2HB ASN 11 1HB ASN 11 5.319 -8.560 -2.176 55 1HD2 ASN 11 1HD2 ASN 11 2.479 -8.710 -0.416 56 2HD2 ASN 11 2HD2 ASN 11 1.903 -10.235 -0.986 57 H THR 12 H THR 12 4.279 -5.002 -2.014 58 HA THR 12 HA THR 12 7.058 -4.582 -2.050 59 HB THR 12 HB THR 12 5.113 -2.303 -1.922 60 HG1 THR 12 HG1 THR 12 4.172 -3.730 -3.413 61 1HG2 THR 12 1HG2 THR 12 6.738 -1.101 -2.947 62 2HG2 THR 12 2HG2 THR 12 7.271 -2.461 -3.935 63 3HG2 THR 12 3HG2 THR 12 7.793 -2.335 -2.255 64 HA PRO 13 HA PRO 13 7.644 -3.761 2.295 65 1HB PRO 13 2HB PRO 13 10.304 -2.851 1.438 66 2HB PRO 13 1HB PRO 13 9.857 -4.136 2.560 67 1HG PRO 13 2HG PRO 13 10.857 -4.680 0.127 68 2HG PRO 13 1HG PRO 13 9.625 -5.708 0.884 69 1HD PRO 13 2HD PRO 13 9.311 -3.630 -1.250 70 2HD PRO 13 1HD PRO 13 8.531 -5.220 -1.101 71 H GLY 14 H GLY 14 6.702 -2.022 3.061 72 1HA GLY 14 2HA GLY 14 7.024 0.215 3.894 73 2HA GLY 14 1HA GLY 14 7.844 0.604 2.388 74 H CYS 15 H CYS 15 5.308 -1.292 1.577 75 HA CYS 15 HA CYS 15 3.725 1.074 0.893 76 1HB CYS 15 2HB CYS 15 3.694 -1.727 -0.232 77 2HB CYS 15 1HB CYS 15 2.591 -0.444 -0.740 78 H THR 16 H THR 16 2.035 1.575 1.981 79 HA THR 16 HA THR 16 0.777 -0.318 3.796 80 HB THR 16 HB THR 16 -0.596 1.851 4.319 81 HG1 THR 16 HG1 THR 16 0.252 3.014 2.479 82 1HG2 THR 16 1HG2 THR 16 2.219 2.242 5.128 83 2HG2 THR 16 2HG2 THR 16 1.513 0.670 5.502 84 3HG2 THR 16 3HG2 THR 16 0.758 2.142 6.113 85 H CYS 17 H CYS 17 -1.409 -0.905 3.651 86 HA CYS 17 HA CYS 17 -2.449 -0.927 1.001 87 1HB CYS 17 2HB CYS 17 -2.839 -2.822 2.499 88 2HB CYS 17 1HB CYS 17 -3.776 -1.790 3.575 89 H SER 18 H SER 18 -3.919 0.239 0.089 90 HA SER 18 HA SER 18 -5.651 2.041 1.557 91 1HB SER 18 2HB SER 18 -3.830 3.030 -0.665 92 2HB SER 18 1HB SER 18 -5.003 3.992 0.236 93 HG SER 18 HG SER 18 -3.475 2.886 2.042 94 H TRP 19 H TRP 19 -6.746 0.076 0.762 95 HA TRP 19 HA TRP 19 -7.204 -1.015 -1.527 96 1HB TRP 19 2HB TRP 19 -8.626 -1.176 0.627 97 2HB TRP 19 1HB TRP 19 -9.683 -0.008 -0.169 98 HD1 TRP 19 HD1 TRP 19 -8.704 -3.658 -0.223 99 HE1 TRP 19 HE1 TRP 19 -10.108 -4.906 -1.981 100 HE3 TRP 19 HE3 TRP 19 -10.931 0.354 -2.462 101 HZ2 TRP 19 HZ2 TRP 19 -11.923 -4.260 -4.057 102 HZ3 TRP 19 HZ3 TRP 19 -12.468 -0.040 -4.335 103 HH2 TRP 19 HH2 TRP 19 -12.945 -2.291 -5.116 104 HA PRO 20 HA PRO 20 -7.741 -1.777 -2.985 105 1HB PRO 20 2HB PRO 20 -7.936 -2.127 -5.606 106 2HB PRO 20 1HB PRO 20 -9.387 -1.881 -4.626 107 1HG PRO 20 2HG PRO 20 -8.026 -0.011 -6.487 108 2HG PRO 20 1HG PRO 20 -9.739 -0.119 -6.054 109 1HD PRO 20 2HD PRO 20 -7.766 1.658 -4.981 110 2HD PRO 20 1HD PRO 20 -9.467 1.505 -4.497 111 H VAL 21 H VAL 21 -5.810 0.672 -3.216 112 HA VAL 21 HA VAL 21 -3.730 -0.784 -4.707 113 HB VAL 21 HB VAL 21 -2.848 1.630 -5.191 114 1HG1 VAL 21 1HG1 VAL 21 -3.525 0.052 -6.913 115 2HG1 VAL 21 2HG1 VAL 21 -4.163 1.653 -7.284 116 3HG1 VAL 21 3HG1 VAL 21 -5.224 0.415 -6.609 117 1HG2 VAL 21 1HG2 VAL 21 -4.808 3.167 -5.576 118 2HG2 VAL 21 2HG2 VAL 21 -4.402 2.882 -3.883 119 3HG2 VAL 21 3HG2 VAL 21 -5.777 2.048 -4.614 120 H CYS 22 H CYS 22 -1.611 -0.644 -4.020 121 HA CYS 22 HA CYS 22 -1.297 -0.076 -1.197 122 1HB CYS 22 2HB CYS 22 0.596 -1.245 -3.254 123 2HB CYS 22 1HB CYS 22 0.997 -1.039 -1.555 124 H THR 23 H THR 23 -0.545 1.759 -0.393 125 HA THR 23 HA THR 23 0.715 3.692 -2.207 126 HB THR 23 HB THR 23 0.331 5.326 -0.338 127 HG1 THR 23 HG1 THR 23 -1.619 3.855 0.887 128 1HG2 THR 23 1HG2 THR 23 -1.246 4.978 -2.277 129 2HG2 THR 23 2HG2 THR 23 -1.979 5.667 -0.827 130 3HG2 THR 23 3HG2 THR 23 -2.217 3.962 -1.212 131 H ARG 24 H ARG 24 2.691 4.661 -1.688 132 HA ARG 24 HA ARG 24 4.173 3.307 0.459 133 1HB ARG 24 2HB ARG 24 4.937 2.720 -1.849 134 2HB ARG 24 1HB ARG 24 5.329 4.413 -2.105 135 1HG ARG 24 2HG ARG 24 7.198 4.318 -0.834 136 2HG ARG 24 1HG ARG 24 6.518 3.123 0.272 137 1HD ARG 24 2HD ARG 24 8.378 2.234 -1.103 138 2HD ARG 24 1HD ARG 24 6.864 1.361 -1.329 139 HE ARG 24 HE ARG 24 6.849 2.012 -3.516 140 1HH1 ARG 24 1HH1 ARG 24 9.180 3.969 -1.796 141 2HH1 ARG 24 2HH1 ARG 24 9.746 4.780 -3.217 142 1HH2 ARG 24 1HH2 ARG 24 7.579 3.080 -5.401 143 2HH2 ARG 24 2HH2 ARG 24 8.836 4.270 -5.276 144 H ASN 25 H ASN 25 4.729 4.550 2.026 145 HA ASN 25 HA ASN 25 4.899 6.339 3.366 146 1HB ASN 25 2HB ASN 25 6.659 7.939 2.804 147 2HB ASN 25 1HB ASN 25 7.145 6.288 2.468 148 1HD2 ASN 25 1HD2 ASN 25 8.174 6.005 0.641 149 2HD2 ASN 25 2HD2 ASN 25 8.061 7.006 -0.761 150 H GLY 26 H GLY 26 2.533 6.489 1.739 151 1HA GLY 26 2HA GLY 26 0.984 8.305 2.280 152 2HA GLY 26 1HA GLY 26 2.242 9.424 1.800 153 H LEU 27 H LEU 27 2.667 7.451 -0.632 154 HA LEU 27 HA LEU 27 0.233 8.137 -2.097 155 1HB LEU 27 2HB LEU 27 1.379 9.248 -3.896 156 2HB LEU 27 1HB LEU 27 1.716 10.072 -2.389 157 HG LEU 27 HG LEU 27 3.662 8.084 -3.536 158 1HD1 LEU 27 1HD1 LEU 27 3.296 9.658 -5.310 159 2HD1 LEU 27 2HD1 LEU 27 4.832 10.040 -4.532 160 3HD1 LEU 27 3HD1 LEU 27 3.403 11.015 -4.189 161 1HD2 LEU 27 1HD2 LEU 27 5.095 8.833 -1.964 162 2HD2 LEU 27 2HD2 LEU 27 3.620 9.329 -1.134 163 3HD2 LEU 27 3HD2 LEU 27 4.528 10.499 -2.092 164 HA PRO 28 HA PRO 28 0.847 4.198 -3.923 165 1HB PRO 28 2HB PRO 28 -0.509 5.180 -6.331 166 2HB PRO 28 1HB PRO 28 -1.002 3.927 -5.191 167 1HG PRO 28 2HG PRO 28 -2.243 6.320 -5.326 168 2HG PRO 28 1HG PRO 28 -2.075 5.421 -3.807 169 1HD PRO 28 2HD PRO 28 -0.514 7.771 -4.804 170 2HD PRO 28 1HD PRO 28 -1.081 7.407 -3.160 171 H VAL 29 H VAL 29 2.935 3.954 -4.391 172 HA VAL 29 HA VAL 29 3.771 4.510 -7.126 173 HB VAL 29 HB VAL 29 6.084 5.175 -6.246 174 1HG1 VAL 29 1HG1 VAL 29 5.242 7.584 -5.754 175 2HG1 VAL 29 2HG1 VAL 29 3.662 6.925 -6.180 176 3HG1 VAL 29 3HG1 VAL 29 4.982 6.878 -7.349 177 1HG2 VAL 29 1HG2 VAL 29 6.032 4.703 -3.965 178 2HG2 VAL 29 2HG2 VAL 29 4.454 5.461 -3.747 179 3HG2 VAL 29 3HG2 VAL 29 5.880 6.459 -4.029 Start of MODEL 19 1 H CYS 1 H CYS 1 2.988 2.238 -5.616 2 HA CYS 1 HA CYS 1 5.318 0.468 -5.351 3 1HB CYS 1 2HB CYS 1 2.471 -0.164 -4.536 4 2HB CYS 1 1HB CYS 1 3.946 -0.996 -4.040 5 H GLY 2 H GLY 2 2.440 1.137 -7.168 6 1HA GLY 2 2HA GLY 2 1.638 0.259 -9.149 7 2HA GLY 2 1HA GLY 2 3.212 -0.514 -9.349 8 H GLU 3 H GLU 3 1.250 -0.888 -6.560 9 HA GLU 3 HA GLU 3 0.537 -3.632 -7.294 10 1HB GLU 3 2HB GLU 3 2.501 -3.725 -5.888 11 2HB GLU 3 1HB GLU 3 1.779 -2.621 -4.735 12 1HG GLU 3 2HG GLU 3 0.177 -4.267 -4.075 13 2HG GLU 3 1HG GLU 3 0.726 -5.353 -5.345 14 H THR 4 H THR 4 -1.346 -4.406 -6.337 15 HA THR 4 HA THR 4 -3.069 -2.329 -5.180 16 HB THR 4 HB THR 4 -4.969 -3.840 -5.900 17 HG1 THR 4 HG1 THR 4 -3.441 -4.921 -7.930 18 1HG2 THR 4 1HG2 THR 4 -4.180 -3.215 -8.498 19 2HG2 THR 4 2HG2 THR 4 -3.345 -2.035 -7.488 20 3HG2 THR 4 3HG2 THR 4 -5.101 -2.187 -7.398 21 H CYS 5 H CYS 5 -4.283 -2.799 -3.362 22 HA CYS 5 HA CYS 5 -3.609 -5.354 -2.076 23 1HB CYS 5 2HB CYS 5 -3.722 -4.333 0.102 24 2HB CYS 5 1HB CYS 5 -2.578 -3.454 -0.887 25 H VAL 6 H VAL 6 -5.587 -5.307 -3.781 26 HA VAL 6 HA VAL 6 -8.143 -4.634 -2.897 27 HB VAL 6 HB VAL 6 -7.529 -7.093 -4.538 28 1HG1 VAL 6 1HG1 VAL 6 -9.873 -5.198 -4.493 29 2HG1 VAL 6 2HG1 VAL 6 -9.847 -6.848 -3.867 30 3HG1 VAL 6 3HG1 VAL 6 -9.682 -6.558 -5.600 31 1HG2 VAL 6 1HG2 VAL 6 -8.060 -4.528 -5.910 32 2HG2 VAL 6 2HG2 VAL 6 -7.032 -5.880 -6.386 33 3HG2 VAL 6 3HG2 VAL 6 -6.465 -4.720 -5.184 34 H GLY 7 H GLY 7 -6.062 -7.334 -2.146 35 1HA GLY 7 2HA GLY 7 -8.153 -8.581 -0.510 36 2HA GLY 7 1HA GLY 7 -6.623 -9.320 -0.961 37 H GLY 8 H GLY 8 -6.579 -6.034 0.110 38 1HA GLY 8 2HA GLY 8 -5.745 -5.023 1.986 39 2HA GLY 8 1HA GLY 8 -6.382 -6.388 2.889 40 H THR 9 H THR 9 -3.890 -6.428 0.380 41 HA THR 9 HA THR 9 -1.828 -6.888 2.382 42 HB THR 9 HB THR 9 -1.269 -8.913 0.600 43 HG1 THR 9 HG1 THR 9 -4.050 -9.072 1.236 44 1HG2 THR 9 1HG2 THR 9 -2.581 -8.907 3.307 45 2HG2 THR 9 2HG2 THR 9 -0.896 -9.232 2.901 46 3HG2 THR 9 3HG2 THR 9 -2.145 -10.406 2.485 47 H CYS 10 H CYS 10 0.237 -6.464 1.675 48 HA CYS 10 HA CYS 10 0.623 -5.720 -1.132 49 1HB CYS 10 2HB CYS 10 1.505 -4.033 1.223 50 2HB CYS 10 1HB CYS 10 1.896 -3.718 -0.460 51 H ASN 11 H ASN 11 2.503 -6.418 -1.935 52 HA ASN 11 HA ASN 11 4.236 -7.982 -0.197 53 1HB ASN 11 2HB ASN 11 4.252 -7.592 -3.200 54 2HB ASN 11 1HB ASN 11 5.301 -8.697 -2.319 55 1HD2 ASN 11 1HD2 ASN 11 2.241 -8.186 -3.706 56 2HD2 ASN 11 2HD2 ASN 11 1.546 -9.724 -3.295 57 H THR 12 H THR 12 4.248 -5.022 -2.054 58 HA THR 12 HA THR 12 7.023 -4.541 -2.085 59 HB THR 12 HB THR 12 5.073 -2.286 -1.848 60 HG1 THR 12 HG1 THR 12 4.063 -3.746 -3.297 61 1HG2 THR 12 1HG2 THR 12 7.144 -2.467 -3.963 62 2HG2 THR 12 2HG2 THR 12 7.716 -2.306 -2.303 63 3HG2 THR 12 3HG2 THR 12 6.639 -1.088 -2.987 64 HA PRO 13 HA PRO 13 7.538 -3.882 2.309 65 1HB PRO 13 2HB PRO 13 10.231 -2.999 1.518 66 2HB PRO 13 1HB PRO 13 9.741 -4.305 2.598 67 1HG PRO 13 2HG PRO 13 10.770 -4.801 0.168 68 2HG PRO 13 1HG PRO 13 9.506 -5.826 0.876 69 1HD PRO 13 2HD PRO 13 9.267 -3.679 -1.200 70 2HD PRO 13 1HD PRO 13 8.461 -5.261 -1.116 71 H GLY 14 H GLY 14 6.633 -2.145 3.128 72 1HA GLY 14 2HA GLY 14 6.994 0.071 4.006 73 2HA GLY 14 1HA GLY 14 7.806 0.480 2.500 74 H CYS 15 H CYS 15 5.303 -1.324 1.540 75 HA CYS 15 HA CYS 15 3.736 1.065 0.956 76 1HB CYS 15 2HB CYS 15 3.668 -1.717 -0.207 77 2HB CYS 15 1HB CYS 15 2.544 -0.437 -0.668 78 H THR 16 H THR 16 2.028 1.581 2.022 79 HA THR 16 HA THR 16 0.758 -0.294 3.845 80 HB THR 16 HB THR 16 -0.617 1.865 4.356 81 HG1 THR 16 HG1 THR 16 0.187 3.017 2.491 82 1HG2 THR 16 1HG2 THR 16 1.575 0.738 5.491 83 2HG2 THR 16 2HG2 THR 16 0.735 2.146 6.139 84 3HG2 THR 16 3HG2 THR 16 2.174 2.359 5.142 85 H CYS 17 H CYS 17 -1.414 -0.911 3.677 86 HA CYS 17 HA CYS 17 -2.445 -0.927 1.021 87 1HB CYS 17 2HB CYS 17 -2.817 -2.842 2.493 88 2HB CYS 17 1HB CYS 17 -3.760 -1.834 3.586 89 H SER 18 H SER 18 -3.926 0.234 0.115 90 HA SER 18 HA SER 18 -5.683 1.998 1.602 91 1HB SER 18 2HB SER 18 -3.868 3.030 -0.605 92 2HB SER 18 1HB SER 18 -5.062 3.968 0.294 93 HG SER 18 HG SER 18 -3.525 2.864 2.099 94 H TRP 19 H TRP 19 -6.786 0.054 0.796 95 HA TRP 19 HA TRP 19 -7.238 -1.032 -1.498 96 1HB TRP 19 2HB TRP 19 -8.670 -1.195 0.646 97 2HB TRP 19 1HB TRP 19 -9.716 -0.014 -0.146 98 HD1 TRP 19 HD1 TRP 19 -8.758 -3.670 -0.219 99 HE1 TRP 19 HE1 TRP 19 -10.166 -4.901 -1.987 100 HE3 TRP 19 HE3 TRP 19 -10.959 0.366 -2.440 101 HZ2 TRP 19 HZ2 TRP 19 -11.973 -4.234 -4.061 102 HZ3 TRP 19 HZ3 TRP 19 -12.495 -0.010 -4.319 103 HH2 TRP 19 HH2 TRP 19 -12.983 -2.254 -5.112 104 HA PRO 20 HA PRO 20 -7.762 -1.785 -2.959 105 1HB PRO 20 2HB PRO 20 -7.951 -2.128 -5.583 106 2HB PRO 20 1HB PRO 20 -9.403 -1.888 -4.604 107 1HG PRO 20 2HG PRO 20 -8.050 -0.014 -6.464 108 2HG PRO 20 1HG PRO 20 -9.760 -0.118 -6.018 109 1HD PRO 20 2HD PRO 20 -7.767 1.647 -4.953 110 2HD PRO 20 1HD PRO 20 -9.469 1.512 -4.471 111 H VAL 21 H VAL 21 -5.820 0.657 -3.174 112 HA VAL 21 HA VAL 21 -3.737 -0.808 -4.652 113 HB VAL 21 HB VAL 21 -2.855 1.599 -5.167 114 1HG1 VAL 21 1HG1 VAL 21 -4.163 1.596 -7.263 115 2HG1 VAL 21 2HG1 VAL 21 -5.235 0.376 -6.574 116 3HG1 VAL 21 3HG1 VAL 21 -3.538 -0.005 -6.868 117 1HG2 VAL 21 1HG2 VAL 21 -4.420 2.858 -3.867 118 2HG2 VAL 21 2HG2 VAL 21 -5.789 2.032 -4.617 119 3HG2 VAL 21 3HG2 VAL 21 -4.798 3.143 -5.567 120 H CYS 22 H CYS 22 -1.620 -0.644 -3.971 121 HA CYS 22 HA CYS 22 -1.294 -0.068 -1.155 122 1HB CYS 22 2HB CYS 22 0.631 -1.163 -3.223 123 2HB CYS 22 1HB CYS 22 0.987 -1.017 -1.507 124 H THR 23 H THR 23 -0.463 1.729 -0.323 125 HA THR 23 HA THR 23 0.729 3.702 -2.150 126 HB THR 23 HB THR 23 0.249 5.330 -0.286 127 HG1 THR 23 HG1 THR 23 -1.701 3.836 0.874 128 1HG2 THR 23 1HG2 THR 23 -1.778 3.902 -1.905 129 2HG2 THR 23 2HG2 THR 23 -1.344 5.612 -1.882 130 3HG2 THR 23 3HG2 THR 23 -2.387 4.949 -0.623 131 H ARG 24 H ARG 24 2.653 4.786 -1.553 132 HA ARG 24 HA ARG 24 4.102 3.619 0.720 133 1HB ARG 24 2HB ARG 24 4.843 2.600 -1.447 134 2HB ARG 24 1HB ARG 24 5.330 4.201 -1.983 135 1HG ARG 24 2HG ARG 24 7.134 4.279 -0.564 136 2HG ARG 24 1HG ARG 24 6.426 3.127 0.572 137 1HD ARG 24 2HD ARG 24 8.322 2.186 -0.710 138 2HD ARG 24 1HD ARG 24 6.816 1.306 -0.954 139 HE ARG 24 HE ARG 24 6.861 1.890 -3.162 140 1HH1 ARG 24 1HH1 ARG 24 9.178 3.855 -1.434 141 2HH1 ARG 24 2HH1 ARG 24 9.798 4.614 -2.861 142 1HH2 ARG 24 1HH2 ARG 24 7.658 2.892 -5.056 143 2HH2 ARG 24 2HH2 ARG 24 8.933 4.064 -4.929 144 H ASN 25 H ASN 25 4.784 5.131 2.052 145 HA ASN 25 HA ASN 25 5.339 7.129 2.962 146 1HB ASN 25 2HB ASN 25 6.195 7.858 0.150 147 2HB ASN 25 1HB ASN 25 6.584 8.773 1.602 148 1HD2 ASN 25 1HD2 ASN 25 7.937 6.893 -0.545 149 2HD2 ASN 25 2HD2 ASN 25 9.089 6.046 0.421 150 H GLY 26 H GLY 26 2.689 6.647 1.892 151 1HA GLY 26 2HA GLY 26 0.761 7.937 2.147 152 2HA GLY 26 1HA GLY 26 1.742 9.385 2.037 153 H LEU 27 H LEU 27 2.537 7.370 -0.543 154 HA LEU 27 HA LEU 27 0.338 8.262 -2.220 155 1HB LEU 27 2HB LEU 27 1.743 9.334 -3.887 156 2HB LEU 27 1HB LEU 27 1.865 10.153 -2.347 157 HG LEU 27 HG LEU 27 3.948 8.150 -3.165 158 1HD1 LEU 27 1HD1 LEU 27 5.117 9.670 -4.437 159 2HD1 LEU 27 2HD1 LEU 27 4.292 11.060 -3.730 160 3HD1 LEU 27 3HD1 LEU 27 3.457 10.041 -4.903 161 1HD2 LEU 27 1HD2 LEU 27 3.536 10.019 -1.002 162 2HD2 LEU 27 2HD2 LEU 27 5.053 10.339 -1.844 163 3HD2 LEU 27 3HD2 LEU 27 4.740 8.740 -1.169 164 HA PRO 28 HA PRO 28 0.963 4.269 -3.945 165 1HB PRO 28 2HB PRO 28 -0.238 5.310 -6.424 166 2HB PRO 28 1HB PRO 28 -0.794 4.022 -5.354 167 1HG PRO 28 2HG PRO 28 -2.042 6.397 -5.462 168 2HG PRO 28 1HG PRO 28 -1.902 5.482 -3.949 169 1HD PRO 28 2HD PRO 28 -0.329 7.851 -4.885 170 2HD PRO 28 1HD PRO 28 -0.951 7.481 -3.264 171 H VAL 29 H VAL 29 3.065 3.930 -4.313 172 HA VAL 29 HA VAL 29 4.083 4.500 -6.992 173 HB VAL 29 HB VAL 29 5.933 4.885 -4.640 174 1HG1 VAL 29 1HG1 VAL 29 6.068 5.204 -7.561 175 2HG1 VAL 29 2HG1 VAL 29 7.332 4.796 -6.400 176 3HG1 VAL 29 3HG1 VAL 29 6.847 6.477 -6.623 177 1HG2 VAL 29 1HG2 VAL 29 3.983 6.516 -4.546 178 2HG2 VAL 29 2HG2 VAL 29 4.624 7.197 -6.041 179 3HG2 VAL 29 3HG2 VAL 29 5.604 7.209 -4.574 Start of MODEL 20 1 H CYS 1 H CYS 1 3.170 2.365 -5.030 2 HA CYS 1 HA CYS 1 5.358 0.536 -5.357 3 1HB CYS 1 2HB CYS 1 2.571 -0.206 -4.455 4 2HB CYS 1 1HB CYS 1 4.107 -0.946 -3.995 5 H GLY 2 H GLY 2 2.385 1.291 -6.989 6 1HA GLY 2 2HA GLY 2 1.484 0.509 -8.964 7 2HA GLY 2 1HA GLY 2 3.055 -0.226 -9.284 8 H GLU 3 H GLU 3 1.253 -0.788 -6.430 9 HA GLU 3 HA GLU 3 0.582 -3.519 -7.258 10 1HB GLU 3 2HB GLU 3 2.546 -3.588 -5.864 11 2HB GLU 3 1HB GLU 3 1.811 -2.515 -4.689 12 1HG GLU 3 2HG GLU 3 0.211 -4.241 -4.098 13 2HG GLU 3 1HG GLU 3 0.922 -5.308 -5.305 14 H THR 4 H THR 4 -1.288 -4.369 -6.314 15 HA THR 4 HA THR 4 -3.084 -2.345 -5.165 16 HB THR 4 HB THR 4 -4.933 -3.887 -5.870 17 HG1 THR 4 HG1 THR 4 -3.115 -5.608 -6.253 18 1HG2 THR 4 1HG2 THR 4 -3.286 -2.169 -7.540 19 2HG2 THR 4 2HG2 THR 4 -5.044 -2.303 -7.445 20 3HG2 THR 4 3HG2 THR 4 -4.130 -3.396 -8.486 21 H CYS 5 H CYS 5 -4.249 -2.794 -3.334 22 HA CYS 5 HA CYS 5 -3.598 -5.347 -2.029 23 1HB CYS 5 2HB CYS 5 -3.727 -4.303 0.145 24 2HB CYS 5 1HB CYS 5 -2.550 -3.463 -0.839 25 H VAL 6 H VAL 6 -5.588 -5.236 -3.760 26 HA VAL 6 HA VAL 6 -8.132 -4.545 -2.876 27 HB VAL 6 HB VAL 6 -7.554 -7.010 -4.520 28 1HG1 VAL 6 1HG1 VAL 6 -9.862 -5.072 -4.491 29 2HG1 VAL 6 2HG1 VAL 6 -9.869 -6.720 -3.858 30 3HG1 VAL 6 3HG1 VAL 6 -9.690 -6.441 -5.591 31 1HG2 VAL 6 1HG2 VAL 6 -8.090 -4.678 -6.113 32 2HG2 VAL 6 2HG2 VAL 6 -6.733 -5.802 -6.196 33 3HG2 VAL 6 3HG2 VAL 6 -6.667 -4.419 -5.103 34 H GLY 7 H GLY 7 -6.114 -7.303 -2.137 35 1HA GLY 7 2HA GLY 7 -8.239 -8.487 -0.497 36 2HA GLY 7 1HA GLY 7 -6.749 -9.288 -0.978 37 H GLY 8 H GLY 8 -6.570 -6.018 0.151 38 1HA GLY 8 2HA GLY 8 -5.696 -5.080 2.047 39 2HA GLY 8 1HA GLY 8 -6.325 -6.469 2.920 40 H THR 9 H THR 9 -3.904 -6.445 0.342 41 HA THR 9 HA THR 9 -1.810 -7.046 2.278 42 HB THR 9 HB THR 9 -1.402 -8.886 0.187 43 HG1 THR 9 HG1 THR 9 -4.040 -9.062 1.280 44 1HG2 THR 9 1HG2 THR 9 -0.645 -9.862 2.046 45 2HG2 THR 9 2HG2 THR 9 -2.314 -10.331 2.381 46 3HG2 THR 9 3HG2 THR 9 -1.659 -8.846 3.072 47 H CYS 10 H CYS 10 0.247 -6.638 1.565 48 HA CYS 10 HA CYS 10 0.671 -5.731 -1.175 49 1HB CYS 10 2HB CYS 10 1.491 -4.108 1.247 50 2HB CYS 10 1HB CYS 10 1.901 -3.737 -0.419 51 H ASN 11 H ASN 11 2.543 -6.484 -1.936 52 HA ASN 11 HA ASN 11 4.244 -7.975 -0.110 53 1HB ASN 11 2HB ASN 11 4.085 -7.823 -3.116 54 2HB ASN 11 1HB ASN 11 5.400 -8.653 -2.290 55 1HD2 ASN 11 1HD2 ASN 11 5.114 -10.736 -2.024 56 2HD2 ASN 11 2HD2 ASN 11 3.601 -11.557 -1.917 57 H THR 12 H THR 12 4.245 -5.026 -1.936 58 HA THR 12 HA THR 12 7.040 -4.580 -2.001 59 HB THR 12 HB THR 12 5.096 -2.315 -1.756 60 HG1 THR 12 HG1 THR 12 4.075 -3.688 -3.238 61 1HG2 THR 12 1HG2 THR 12 7.268 -2.555 -3.792 62 2HG2 THR 12 2HG2 THR 12 7.707 -2.235 -2.115 63 3HG2 THR 12 3HG2 THR 12 6.645 -1.121 -2.978 64 HA PRO 13 HA PRO 13 7.519 -4.021 2.407 65 1HB PRO 13 2HB PRO 13 10.237 -3.174 1.655 66 2HB PRO 13 1HB PRO 13 9.711 -4.478 2.720 67 1HG PRO 13 2HG PRO 13 10.750 -4.980 0.297 68 2HG PRO 13 1HG PRO 13 9.450 -5.977 0.979 69 1HD PRO 13 2HD PRO 13 9.293 -3.805 -1.076 70 2HD PRO 13 1HD PRO 13 8.444 -5.364 -1.017 71 H GLY 14 H GLY 14 6.596 -2.304 3.225 72 1HA GLY 14 2HA GLY 14 6.983 -0.131 4.198 73 2HA GLY 14 1HA GLY 14 7.847 0.313 2.732 74 H CYS 15 H CYS 15 5.363 -1.371 1.585 75 HA CYS 15 HA CYS 15 3.874 1.068 1.037 76 1HB CYS 15 2HB CYS 15 3.764 -1.698 -0.154 77 2HB CYS 15 1HB CYS 15 2.630 -0.421 -0.593 78 H THR 16 H THR 16 2.127 1.638 2.031 79 HA THR 16 HA THR 16 0.811 -0.185 3.876 80 HB THR 16 HB THR 16 -0.548 2.019 4.297 81 HG1 THR 16 HG1 THR 16 0.297 3.163 2.494 82 1HG2 THR 16 1HG2 THR 16 1.204 2.795 5.856 83 2HG2 THR 16 2HG2 THR 16 2.357 1.718 5.066 84 3HG2 THR 16 3HG2 THR 16 0.968 1.050 5.924 85 H CYS 17 H CYS 17 -1.331 -0.847 3.671 86 HA CYS 17 HA CYS 17 -2.360 -0.863 1.018 87 1HB CYS 17 2HB CYS 17 -2.749 -2.774 2.480 88 2HB CYS 17 1HB CYS 17 -3.669 -1.761 3.589 89 H SER 18 H SER 18 -3.845 0.301 0.102 90 HA SER 18 HA SER 18 -5.586 2.084 1.584 91 1HB SER 18 2HB SER 18 -3.777 3.101 -0.635 92 2HB SER 18 1HB SER 18 -4.944 4.048 0.291 93 HG SER 18 HG SER 18 -3.408 2.927 2.073 94 H TRP 19 H TRP 19 -6.708 0.149 0.783 95 HA TRP 19 HA TRP 19 -7.175 -0.947 -1.498 96 1HB TRP 19 2HB TRP 19 -8.616 -1.062 0.645 97 2HB TRP 19 1HB TRP 19 -9.644 0.121 -0.169 98 HD1 TRP 19 HD1 TRP 19 -8.745 -3.548 -0.179 99 HE1 TRP 19 HE1 TRP 19 -10.155 -4.785 -1.939 100 HE3 TRP 19 HE3 TRP 19 -10.855 0.487 -2.489 101 HZ2 TRP 19 HZ2 TRP 19 -11.934 -4.123 -4.041 102 HZ3 TRP 19 HZ3 TRP 19 -12.381 0.105 -4.374 103 HH2 TRP 19 HH2 TRP 19 -12.900 -2.145 -5.133 104 HA PRO 20 HA PRO 20 -7.704 -1.708 -2.955 105 1HB PRO 20 2HB PRO 20 -7.865 -2.076 -5.574 106 2HB PRO 20 1HB PRO 20 -9.327 -1.795 -4.620 107 1HG PRO 20 2HG PRO 20 -7.892 0.037 -6.468 108 2HG PRO 20 1HG PRO 20 -9.618 -0.043 -6.078 109 1HD PRO 20 2HD PRO 20 -7.657 1.719 -4.971 110 2HD PRO 20 1HD PRO 20 -9.365 1.579 -4.516 111 H VAL 21 H VAL 21 -5.740 0.728 -3.198 112 HA VAL 21 HA VAL 21 -3.649 -0.793 -4.607 113 HB VAL 21 HB VAL 21 -2.735 1.587 -5.175 114 1HG1 VAL 21 1HG1 VAL 21 -4.021 1.547 -7.284 115 2HG1 VAL 21 2HG1 VAL 21 -5.114 0.356 -6.576 116 3HG1 VAL 21 3HG1 VAL 21 -3.417 -0.050 -6.841 117 1HG2 VAL 21 1HG2 VAL 21 -5.671 2.078 -4.682 118 2HG2 VAL 21 2HG2 VAL 21 -4.640 3.152 -5.631 119 3HG2 VAL 21 3HG2 VAL 21 -4.305 2.895 -3.919 120 H CYS 22 H CYS 22 -1.567 -0.680 -3.886 121 HA CYS 22 HA CYS 22 -1.237 -0.035 -1.091 122 1HB CYS 22 2HB CYS 22 0.701 -1.153 -3.133 123 2HB CYS 22 1HB CYS 22 1.016 -1.035 -1.409 124 H THR 23 H THR 23 -0.403 1.790 -0.305 125 HA THR 23 HA THR 23 0.747 3.713 -2.190 126 HB THR 23 HB THR 23 0.417 5.355 -0.302 127 HG1 THR 23 HG1 THR 23 -1.534 3.880 0.916 128 1HG2 THR 23 1HG2 THR 23 -1.744 3.977 -1.807 129 2HG2 THR 23 2HG2 THR 23 -1.215 5.659 -1.868 130 3HG2 THR 23 3HG2 THR 23 -2.228 5.100 -0.538 131 H ARG 24 H ARG 24 2.676 4.728 -1.805 132 HA ARG 24 HA ARG 24 4.357 3.549 0.301 133 1HB ARG 24 2HB ARG 24 5.086 2.847 -1.937 134 2HB ARG 24 1HB ARG 24 5.175 4.525 -2.450 135 1HG ARG 24 2HG ARG 24 7.368 3.468 -1.906 136 2HG ARG 24 1HG ARG 24 7.022 4.955 -1.024 137 1HD ARG 24 2HD ARG 24 6.342 3.647 0.924 138 2HD ARG 24 1HD ARG 24 6.663 2.154 0.041 139 HE ARG 24 HE ARG 24 9.032 3.378 -0.104 140 1HH1 ARG 24 1HH1 ARG 24 6.885 2.865 2.610 141 2HH1 ARG 24 2HH1 ARG 24 8.167 2.775 3.773 142 1HH2 ARG 24 1HH2 ARG 24 10.732 3.238 1.427 143 2HH2 ARG 24 2HH2 ARG 24 10.360 2.979 3.097 144 H ASN 25 H ASN 25 4.755 4.979 1.818 145 HA ASN 25 HA ASN 25 5.096 6.911 2.949 146 1HB ASN 25 2HB ASN 25 5.981 8.093 0.306 147 2HB ASN 25 1HB ASN 25 6.373 8.691 1.914 148 1HD2 ASN 25 1HD2 ASN 25 7.758 7.371 -0.575 149 2HD2 ASN 25 2HD2 ASN 25 8.921 6.339 0.177 150 H GLY 26 H GLY 26 2.523 6.364 1.777 151 1HA GLY 26 2HA GLY 26 0.537 7.579 2.114 152 2HA GLY 26 1HA GLY 26 1.449 9.068 1.959 153 H LEU 27 H LEU 27 2.571 7.590 -0.651 154 HA LEU 27 HA LEU 27 0.196 8.186 -2.283 155 1HB LEU 27 2HB LEU 27 1.569 9.290 -3.967 156 2HB LEU 27 1HB LEU 27 1.639 10.123 -2.431 157 HG LEU 27 HG LEU 27 3.814 8.200 -3.193 158 1HD1 LEU 27 1HD1 LEU 27 4.698 10.783 -3.793 159 2HD1 LEU 27 2HD1 LEU 27 3.127 10.630 -4.578 160 3HD1 LEU 27 3HD1 LEU 27 4.404 9.464 -4.926 161 1HD2 LEU 27 1HD2 LEU 27 5.153 9.610 -1.750 162 2HD2 LEU 27 2HD2 LEU 27 3.699 9.098 -0.891 163 3HD2 LEU 27 3HD2 LEU 27 3.806 10.731 -1.548 164 HA PRO 28 HA PRO 28 0.896 4.208 -4.008 165 1HB PRO 28 2HB PRO 28 -0.405 5.233 -6.447 166 2HB PRO 28 1HB PRO 28 -0.875 3.903 -5.386 167 1HG PRO 28 2HG PRO 28 -2.226 6.220 -5.413 168 2HG PRO 28 1HG PRO 28 -1.997 5.293 -3.919 169 1HD PRO 28 2HD PRO 28 -0.567 7.743 -4.868 170 2HD PRO 28 1HD PRO 28 -1.109 7.318 -3.232 171 H VAL 29 H VAL 29 3.013 3.964 -4.419 172 HA VAL 29 HA VAL 29 3.961 4.698 -7.106 173 HB VAL 29 HB VAL 29 5.757 4.809 -4.669 174 1HG1 VAL 29 1HG1 VAL 29 6.686 4.450 -7.025 175 2HG1 VAL 29 2HG1 VAL 29 7.383 5.752 -6.063 176 3HG1 VAL 29 3HG1 VAL 29 6.213 6.122 -7.330 177 1HG2 VAL 29 1HG2 VAL 29 3.755 6.658 -5.268 178 2HG2 VAL 29 2HG2 VAL 29 5.253 7.391 -5.842 179 3HG2 VAL 29 3HG2 VAL 29 5.111 6.872 -4.162
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