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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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12360 |
1sut ![]() ![]() |
cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H PRO 1 H PRO 1 10.464 -0.332 -2.216 2 HA PRO 1 HA PRO 1 11.610 2.339 -2.711 3 1HB PRO 1 1HB PRO 1 8.686 1.452 -3.011 4 2HB PRO 1 2HB PRO 1 9.411 2.945 -3.657 5 1HG PRO 1 1HG PRO 1 9.131 0.637 -5.171 6 2HG PRO 1 2HG PRO 1 10.509 1.745 -5.411 7 1HD PRO 1 1HD PRO 1 10.655 -0.996 -4.373 8 2HD PRO 1 2HD PRO 1 11.969 0.185 -4.640 9 H GLN 2 H GLN 2 8.747 2.752 -1.010 10 HA GLN 2 HA GLN 2 10.350 2.832 1.577 11 1HB GLN 2 1HB GLN 2 9.362 4.993 0.592 12 2HB GLN 2 2HB GLN 2 7.759 4.328 0.878 13 1HG GLN 2 1HG GLN 2 8.317 4.223 3.361 14 2HG GLN 2 2HG GLN 2 9.897 4.921 3.029 15 1HE2 GLN 2 1HE2 GLN 2 8.486 8.270 2.717 16 2HE2 GLN 2 2HE2 GLN 2 9.952 7.202 2.437 17 H ASN 3 H ASN 3 10.102 0.526 1.703 18 HA ASN 3 HA ASN 3 9.477 -1.227 3.019 19 1HB ASN 3 1HB ASN 3 8.740 0.522 4.712 20 2HB ASN 3 2HB ASN 3 7.086 0.247 4.210 21 1HD2 ASN 3 1HD2 ASN 3 6.903 -2.901 6.041 22 2HD2 ASN 3 2HD2 ASN 3 6.139 -1.843 4.751 23 H ALA 4 H ALA 4 8.901 -2.854 1.739 24 HA ALA 4 HA ALA 4 7.672 -4.488 0.685 25 1HB ALA 4 1HB ALA 4 6.622 -4.786 2.807 26 2HB ALA 4 2HB ALA 4 5.335 -3.619 2.399 27 3HB ALA 4 3HB ALA 4 5.471 -5.146 1.490 28 H LYS 5 H LYS 5 8.010 -3.515 -1.389 29 HA LYS 5 HA LYS 5 7.373 -3.197 -3.514 30 1HB LYS 5 1HB LYS 5 4.664 -3.936 -2.557 31 2HB LYS 5 2HB LYS 5 4.527 -2.738 -3.784 32 1HG LYS 5 1HG LYS 5 6.244 -5.266 -4.283 33 2HG LYS 5 2HG LYS 5 4.508 -5.338 -4.326 34 1HD LYS 5 1HD LYS 5 4.982 -5.148 -6.559 35 2HD LYS 5 2HD LYS 5 4.468 -3.528 -6.153 36 1HE LYS 5 1HE LYS 5 6.919 -2.801 -6.077 37 2HE LYS 5 2HE LYS 5 7.407 -4.453 -6.496 38 1HZ LYS 5 1HZ LYS 5 5.673 -2.698 -8.176 39 2HZ LYS 5 2HZ LYS 5 7.262 -3.043 -8.465 40 3HZ LYS 5 3HZ LYS 5 6.126 -4.238 -8.569 41 H LEU 6 H LEU 6 4.819 -0.884 -2.361 42 HA LEU 6 HA LEU 6 6.527 1.198 -3.799 43 1HB LEU 6 1HB LEU 6 3.567 1.343 -3.778 44 2HB LEU 6 2HB LEU 6 4.683 2.262 -4.744 45 HG LEU 6 HG LEU 6 4.403 -0.773 -5.128 46 1HD1 LEU 6 1HD1 LEU 6 2.140 0.183 -5.461 47 2HD1 LEU 6 2HD1 LEU 6 2.772 1.276 -6.722 48 3HD1 LEU 6 3HD1 LEU 6 2.785 -0.497 -6.959 49 1HD2 LEU 6 1HD2 LEU 6 6.442 0.210 -6.170 50 2HD2 LEU 6 2HD2 LEU 6 5.362 -0.509 -7.376 51 3HD2 LEU 6 3HD2 LEU 6 5.429 1.270 -7.185 52 H LYS 7 H LYS 7 3.682 2.127 -1.797 53 HA LYS 7 HA LYS 7 5.646 3.518 0.108 54 1HB LYS 7 1HB LYS 7 4.515 4.947 -1.802 55 2HB LYS 7 2HB LYS 7 3.003 4.576 -1.010 56 1HG LYS 7 1HG LYS 7 3.425 6.693 -0.251 57 2HG LYS 7 2HG LYS 7 3.944 5.743 1.128 58 1HD LYS 7 1HD LYS 7 6.339 6.044 0.448 59 2HD LYS 7 2HD LYS 7 5.871 6.915 -1.002 60 1HE LYS 7 1HE LYS 7 5.201 7.946 1.844 61 2HE LYS 7 2HE LYS 7 6.711 8.293 1.015 62 1HZ LYS 7 1HZ LYS 7 5.471 9.369 -0.774 63 2HZ LYS 7 2HZ LYS 7 4.032 9.055 -0.026 64 3HZ LYS 7 3HZ LYS 7 5.126 10.069 0.682 65 H ILE 8 H ILE 8 5.377 1.741 1.548 66 HA ILE 8 HA ILE 8 4.628 0.758 3.476 67 HB ILE 8 HB ILE 8 2.254 2.625 3.708 68 1HG1 ILE 8 1HG1 ILE 8 4.922 3.318 5.156 69 2HG1 ILE 8 2HG1 ILE 8 4.638 3.854 3.533 70 1HG2 ILE 8 1HG2 ILE 8 2.187 0.664 5.283 71 2HG2 ILE 8 2HG2 ILE 8 3.756 1.147 5.979 72 3HG2 ILE 8 3HG2 ILE 8 2.324 2.192 6.185 73 1HD1 ILE 8 1HD1 ILE 8 2.650 5.190 4.163 74 2HD1 ILE 8 2HD1 ILE 8 2.866 4.709 5.867 75 3HD1 ILE 8 3HD1 ILE 8 4.121 5.677 5.047 76 H LYS 9 H LYS 9 4.251 -1.167 2.168 77 HA LYS 9 HA LYS 9 3.107 -3.099 1.777 78 1HB LYS 9 1HB LYS 9 1.701 -2.552 3.990 79 2HB LYS 9 2HB LYS 9 0.517 -2.095 2.860 80 1HG LYS 9 1HG LYS 9 -0.095 -4.273 3.565 81 2HG LYS 9 2HG LYS 9 0.402 -4.385 1.894 82 1HD LYS 9 1HD LYS 9 1.239 -6.348 2.828 83 2HD LYS 9 2HD LYS 9 2.648 -5.326 2.682 84 1HE LYS 9 1HE LYS 9 2.928 -6.390 4.780 85 2HE LYS 9 2HE LYS 9 2.370 -4.778 5.229 86 1HZ LYS 9 1HZ LYS 9 0.665 -7.229 5.092 87 2HZ LYS 9 2HZ LYS 9 1.216 -6.509 6.473 88 3HZ LYS 9 3HZ LYS 9 0.120 -5.728 5.516 89 H ARG 10 H ARG 10 3.215 -2.951 -0.434 90 HA ARG 10 HA ARG 10 2.441 -3.112 -2.610 91 1HB ARG 10 1HB ARG 10 -0.098 -3.596 -1.033 92 2HB ARG 10 2HB ARG 10 -0.321 -3.626 -2.705 93 1HG ARG 10 1HG ARG 10 1.519 -5.506 -1.136 94 2HG ARG 10 2HG ARG 10 -0.033 -5.913 -1.850 95 1HD ARG 10 1HD ARG 10 0.906 -5.625 -4.153 96 2HD ARG 10 2HD ARG 10 2.445 -5.127 -3.506 97 HE ARG 10 HE ARG 10 2.124 -7.602 -4.366 98 1HH1 ARG 10 2HH1 ARG 10 2.895 -6.634 -0.986 99 2HH1 ARG 10 1HH1 ARG 10 3.900 -8.158 -0.817 100 1HH2 ARG 10 1HH2 ARG 10 3.135 -9.320 -3.951 101 2HH2 ARG 10 2HH2 ARG 10 4.020 -9.550 -2.359 102 HA PRO 11 HA PRO 11 1.096 1.201 -3.673 103 1HB PRO 11 1HB PRO 11 -1.904 1.144 -3.984 104 2HB PRO 11 2HB PRO 11 -0.674 1.889 -5.017 105 1HG PRO 11 1HG PRO 11 -1.788 -0.453 -5.809 106 2HG PRO 11 2HG PRO 11 -0.022 -0.228 -5.971 107 1HD PRO 11 1HD PRO 11 -1.510 -1.686 -3.724 108 2HD PRO 11 2HD PRO 11 -0.156 -2.279 -4.658 109 H VAL 12 H VAL 12 -1.012 2.976 -2.626 110 HA VAL 12 HA VAL 12 0.639 3.633 -0.392 111 HB VAL 12 HB VAL 12 -1.945 4.960 -1.318 112 1HG1 VAL 12 1HG1 VAL 12 -1.277 5.844 0.950 113 2HG1 VAL 12 2HG1 VAL 12 0.312 6.335 0.345 114 3HG1 VAL 12 3HG1 VAL 12 -1.175 7.135 -0.259 115 1HG2 VAL 12 1HG2 VAL 12 -0.197 4.883 -3.155 116 2HG2 VAL 12 2HG2 VAL 12 -0.531 6.563 -2.705 117 3HG2 VAL 12 3HG2 VAL 12 0.968 5.753 -2.147 118 H LYS 13 H LYS 13 0.491 2.399 1.492 119 HA LYS 13 HA LYS 13 -0.083 2.112 3.647 120 1HB LYS 13 1HB LYS 13 -1.137 4.475 3.385 121 2HB LYS 13 2HB LYS 13 -2.701 3.655 3.420 122 1HG LYS 13 1HG LYS 13 -2.142 2.751 5.734 123 2HG LYS 13 2HG LYS 13 -0.581 3.568 5.675 124 1HD LYS 13 1HD LYS 13 -1.804 5.819 5.496 125 2HD LYS 13 2HD LYS 13 -3.330 4.955 5.594 126 1HE LYS 13 1HE LYS 13 -3.031 5.750 7.766 127 2HE LYS 13 2HE LYS 13 -2.576 4.062 7.934 128 1HZ LYS 13 1HZ LYS 13 -0.686 6.365 7.661 129 2HZ LYS 13 2HZ LYS 13 -1.012 5.533 9.050 130 3HZ LYS 13 3HZ LYS 13 -0.218 4.788 7.808 131 H VAL 14 H VAL 14 -0.280 -0.168 3.274 132 HA VAL 14 HA VAL 14 -1.151 -2.082 4.046 133 HB VAL 14 HB VAL 14 -3.940 -1.107 4.894 134 1HG1 VAL 14 1HG1 VAL 14 -3.459 -3.586 4.985 135 2HG1 VAL 14 2HG1 VAL 14 -2.093 -3.310 6.080 136 3HG1 VAL 14 3HG1 VAL 14 -3.761 -2.930 6.605 137 1HG2 VAL 14 1HG2 VAL 14 -2.295 0.509 5.915 138 2HG2 VAL 14 2HG2 VAL 14 -3.080 -0.482 7.157 139 3HG2 VAL 14 3HG2 VAL 14 -1.395 -0.821 6.655 140 H GLN 15 H GLN 15 -1.009 -2.676 1.789 141 HA GLN 15 HA GLN 15 -2.353 -4.380 0.018 142 1HB GLN 15 1HB GLN 15 -4.202 -3.968 -0.908 143 2HB GLN 15 2HB GLN 15 -4.529 -4.151 0.814 144 1HG GLN 15 1HG GLN 15 -4.822 -1.634 1.044 145 2HG GLN 15 2HG GLN 15 -4.394 -1.402 -0.634 146 1HE2 GLN 15 1HE2 GLN 15 -7.777 -2.007 -1.653 147 2HE2 GLN 15 2HE2 GLN 15 -6.024 -1.748 -2.178 148 HA PRO 16 HA PRO 16 -2.931 -0.388 -2.695 149 1HB PRO 16 1HB PRO 16 -5.581 -0.730 -3.807 150 2HB PRO 16 2HB PRO 16 -4.001 -0.910 -4.595 151 1HG PRO 16 1HG PRO 16 -5.791 -3.035 -3.435 152 2HG PRO 16 2HG PRO 16 -4.632 -3.160 -4.775 153 1HD PRO 16 1HD PRO 16 -4.081 -4.204 -2.321 154 2HD PRO 16 2HD PRO 16 -2.797 -3.479 -3.303 155 H ILE 17 H ILE 17 -5.130 1.362 -2.926 156 HA ILE 17 HA ILE 17 -3.887 2.791 -0.878 157 HB ILE 17 HB ILE 17 -6.229 3.708 -2.558 158 1HG1 ILE 17 1HG1 ILE 17 -3.250 4.464 -3.104 159 2HG1 ILE 17 2HG1 ILE 17 -3.924 2.996 -3.723 160 1HG2 ILE 17 1HG2 ILE 17 -5.973 5.244 -0.563 161 2HG2 ILE 17 2HG2 ILE 17 -4.273 5.549 -1.003 162 3HG2 ILE 17 3HG2 ILE 17 -5.590 6.098 -2.077 163 1HD1 ILE 17 1HD1 ILE 17 -5.596 4.173 -5.121 164 2HD1 ILE 17 2HD1 ILE 17 -4.960 5.743 -4.554 165 3HD1 ILE 17 3HD1 ILE 17 -3.916 4.645 -5.492 166 H ALA 18 H ALA 18 -4.242 2.448 1.258 167 HA ALA 18 HA ALA 18 -5.123 2.381 3.350 168 1HB ALA 18 1HB ALA 18 -5.872 4.603 2.975 169 2HB ALA 18 2HB ALA 18 -7.454 4.034 2.387 170 3HB ALA 18 3HB ALA 18 -6.974 3.739 4.080 171 H ARG 19 H ARG 19 -5.241 -0.019 2.545 172 HA ARG 19 HA ARG 19 -6.487 -2.062 4.057 173 1HB ARG 19 1HB ARG 19 -8.397 -0.947 4.814 174 2HB ARG 19 2HB ARG 19 -8.908 -0.566 3.180 175 1HG ARG 19 1HG ARG 19 -8.550 -3.455 4.296 176 2HG ARG 19 2HG ARG 19 -10.085 -2.598 4.195 177 1HD ARG 19 1HD ARG 19 -8.309 -3.108 1.718 178 2HD ARG 19 2HD ARG 19 -9.536 -4.272 2.283 179 1HH1 ARG 19 1HH1 ARG 19 -9.755 -4.208 0.066 180 2HH1 ARG 19 2HH1 ARG 19 -10.951 -3.705 -1.248 181 1HH2 ARG 19 1HH2 ARG 19 -11.963 -1.102 0.673 182 2HH2 ARG 19 2HH2 ARG 19 -12.154 -2.017 -0.924 183 H ARG 20 H ARG 20 -5.522 -2.238 1.479 184 HA ARG 20 HA ARG 20 -5.625 -3.370 -0.555 185 1HB ARG 20 1HB ARG 20 -6.175 -5.141 1.050 186 2HB ARG 20 2HB ARG 20 -7.891 -4.941 0.729 187 1HG ARG 20 1HG ARG 20 -7.478 -5.581 -1.711 188 2HG ARG 20 2HG ARG 20 -5.776 -5.783 -1.334 189 1HD ARG 20 1HD ARG 20 -6.597 -7.982 -1.325 190 2HD ARG 20 2HD ARG 20 -6.466 -7.627 0.391 191 HE ARG 20 HE ARG 20 -9.192 -7.028 -0.606 192 1HH1 ARG 20 2HH1 ARG 20 -7.206 -9.868 0.379 193 2HH1 ARG 20 1HH1 ARG 20 -8.750 -10.795 0.729 194 1HH2 ARG 20 1HH2 ARG 20 -10.814 -8.201 -0.167 195 2HH2 ARG 20 2HH2 ARG 20 -10.629 -9.922 0.443 196 H VAL 21 H VAL 21 -9.217 -3.554 -0.666 197 HA VAL 21 HA VAL 21 -9.007 -2.161 -3.320 198 HB VAL 21 HB VAL 21 -11.494 -3.549 -2.205 199 1HG1 VAL 21 1HG1 VAL 21 -12.029 -1.924 -4.030 200 2HG1 VAL 21 2HG1 VAL 21 -10.932 -2.761 -5.143 201 3HG1 VAL 21 3HG1 VAL 21 -12.397 -3.584 -4.523 202 1HG2 VAL 21 1HG2 VAL 21 -9.621 -5.221 -2.513 203 2HG2 VAL 21 2HG2 VAL 21 -10.966 -5.547 -3.618 204 3HG2 VAL 21 3HG2 VAL 21 -9.468 -4.770 -4.221 205 H TYR 22 1H TYR 22 -9.412 2.423 -3.789 206 H TYR 22 2H TYR 22 -8.476 -0.062 -2.374 207 HA TYR 22 HA TYR 22 -10.550 1.884 -1.054 208 1HB TYR 22 1HB TYR 22 -8.486 2.512 -0.372 209 2HB TYR 22 2HB TYR 22 -7.870 2.554 -1.999 210 HD1 TYR 22 HD1 TYR 22 -10.127 4.295 0.376 211 HD2 TYR 22 HD2 TYR 22 -8.489 4.299 -3.599 212 HE1 TYR 22 HE1 TYR 22 -10.860 6.632 0.064 213 HE2 TYR 22 HE2 TYR 22 -9.229 6.622 -3.899 214 HH TYR 22 HH TYR 22 -10.247 8.357 -2.976 No H/Q in entry = 214 Start of MODEL 2 1 H PRO 1 H PRO 1 11.756 0.320 -2.631 2 HA PRO 1 HA PRO 1 9.978 2.135 -3.253 3 1HB PRO 1 1HB PRO 1 7.928 1.812 -1.494 4 2HB PRO 1 2HB PRO 1 7.981 0.970 -3.185 5 1HG PRO 1 1HG PRO 1 9.017 -0.177 -0.483 6 2HG PRO 1 2HG PRO 1 7.647 -0.776 -1.635 7 1HD PRO 1 1HD PRO 1 10.312 -1.566 -1.552 8 2HD PRO 1 2HD PRO 1 9.422 -1.356 -3.155 9 H GLN 2 H GLN 2 8.635 3.560 -1.118 10 HA GLN 2 HA GLN 2 10.246 3.482 1.332 11 1HB GLN 2 1HB GLN 2 7.444 4.616 0.728 12 2HB GLN 2 2HB GLN 2 8.228 4.764 2.290 13 1HG GLN 2 1HG GLN 2 10.125 6.073 1.275 14 2HG GLN 2 2HG GLN 2 9.336 5.967 -0.297 15 1HE2 GLN 2 1HE2 GLN 2 7.898 8.747 2.337 16 2HE2 GLN 2 2HE2 GLN 2 9.283 7.619 2.758 17 H ASN 3 H ASN 3 10.272 1.137 1.392 18 HA ASN 3 HA ASN 3 9.995 -0.732 2.741 19 1HB ASN 3 1HB ASN 3 7.601 0.479 4.147 20 2HB ASN 3 2HB ASN 3 8.287 -1.091 4.520 21 1HD2 ASN 3 1HD2 ASN 3 11.069 0.348 6.359 22 2HD2 ASN 3 2HD2 ASN 3 10.386 -1.153 5.556 23 H ALA 4 H ALA 4 9.582 -2.313 1.394 24 HA ALA 4 HA ALA 4 8.559 -4.090 0.409 25 1HB ALA 4 1HB ALA 4 7.617 -4.233 2.720 26 2HB ALA 4 2HB ALA 4 6.055 -3.725 2.034 27 3HB ALA 4 3HB ALA 4 6.863 -5.221 1.471 28 H LYS 5 H LYS 5 8.668 -3.083 -1.640 29 HA LYS 5 HA LYS 5 7.985 -3.011 -3.725 30 1HB LYS 5 1HB LYS 5 5.666 -4.397 -3.151 31 2HB LYS 5 2HB LYS 5 4.985 -2.836 -3.429 32 1HG LYS 5 1HG LYS 5 6.211 -2.785 -5.757 33 2HG LYS 5 2HG LYS 5 6.621 -4.469 -5.460 34 1HD LYS 5 1HD LYS 5 4.061 -4.948 -5.315 35 2HD LYS 5 2HD LYS 5 3.805 -3.255 -5.710 36 1HE LYS 5 1HE LYS 5 3.489 -4.331 -7.750 37 2HE LYS 5 2HE LYS 5 5.098 -3.648 -7.932 38 1HZ LYS 5 1HZ LYS 5 4.473 -6.491 -7.237 39 2HZ LYS 5 2HZ LYS 5 4.997 -5.942 -8.705 40 3HZ LYS 5 3HZ LYS 5 6.001 -5.883 -7.394 41 H LEU 6 H LEU 6 5.222 -0.941 -2.634 42 HA LEU 6 HA LEU 6 6.617 1.345 -4.090 43 1HB LEU 6 1HB LEU 6 3.685 0.619 -3.940 44 2HB LEU 6 2HB LEU 6 4.246 2.102 -4.639 45 HG LEU 6 HG LEU 6 5.288 -0.563 -5.797 46 1HD1 LEU 6 1HD1 LEU 6 2.818 -0.794 -5.789 47 2HD1 LEU 6 2HD1 LEU 6 2.664 0.720 -6.716 48 3HD1 LEU 6 3HD1 LEU 6 3.464 -0.714 -7.432 49 1HD2 LEU 6 1HD2 LEU 6 6.449 1.491 -6.566 50 2HD2 LEU 6 2HD2 LEU 6 5.656 0.630 -7.899 51 3HD2 LEU 6 3HD2 LEU 6 4.918 2.120 -7.229 52 H LYS 7 H LYS 7 3.811 1.600 -1.877 53 HA LYS 7 HA LYS 7 5.597 3.028 0.143 54 1HB LYS 7 1HB LYS 7 4.465 4.735 -1.420 55 2HB LYS 7 2HB LYS 7 2.903 4.142 -0.847 56 1HG LYS 7 1HG LYS 7 3.557 4.862 1.512 57 2HG LYS 7 2HG LYS 7 5.104 5.443 0.891 58 1HD LYS 7 1HD LYS 7 3.875 7.110 -0.592 59 2HD LYS 7 2HD LYS 7 2.331 6.524 0.033 60 1HE LYS 7 1HE LYS 7 2.987 7.274 2.366 61 2HE LYS 7 2HE LYS 7 4.538 7.862 1.737 62 1HZ LYS 7 1HZ LYS 7 3.301 9.371 0.269 63 2HZ LYS 7 2HZ LYS 7 1.857 8.825 0.856 64 3HZ LYS 7 3HZ LYS 7 2.898 9.636 1.849 65 H ILE 8 H ILE 8 5.462 1.144 1.382 66 HA ILE 8 HA ILE 8 4.761 -0.073 3.175 67 HB ILE 8 HB ILE 8 2.221 1.551 3.432 68 1HG1 ILE 8 1HG1 ILE 8 4.754 2.311 5.079 69 2HG1 ILE 8 2HG1 ILE 8 4.570 2.917 3.471 70 1HG2 ILE 8 1HG2 ILE 8 2.226 -0.517 4.854 71 2HG2 ILE 8 2HG2 ILE 8 3.721 0.022 5.661 72 3HG2 ILE 8 3HG2 ILE 8 2.209 0.950 5.862 73 1HD1 ILE 8 1HD1 ILE 8 2.472 4.115 3.990 74 2HD1 ILE 8 2HD1 ILE 8 2.576 3.566 5.685 75 3HD1 ILE 8 3HD1 ILE 8 3.841 4.627 5.009 76 H LYS 9 H LYS 9 4.673 -1.885 1.719 77 HA LYS 9 HA LYS 9 3.915 -3.972 1.373 78 1HB LYS 9 1HB LYS 9 2.675 -3.707 3.627 79 2HB LYS 9 2HB LYS 9 1.209 -3.484 2.684 80 1HG LYS 9 1HG LYS 9 1.694 -5.829 1.635 81 2HG LYS 9 2HG LYS 9 3.020 -5.986 2.791 82 1HD LYS 9 1HD LYS 9 1.325 -5.722 4.703 83 2HD LYS 9 2HD LYS 9 0.034 -5.609 3.502 84 1HE LYS 9 1HE LYS 9 0.565 -7.949 2.695 85 2HE LYS 9 2HE LYS 9 1.869 -8.066 3.892 86 1HZ LYS 9 1HZ LYS 9 0.203 -7.731 5.646 87 2HZ LYS 9 2HZ LYS 9 -1.010 -7.621 4.531 88 3HZ LYS 9 3HZ LYS 9 -0.186 -9.041 4.718 89 H ARG 10 H ARG 10 3.911 -3.867 -0.837 90 HA ARG 10 HA ARG 10 3.170 -4.020 -3.033 91 1HB ARG 10 1HB ARG 10 0.734 -5.109 -1.548 92 2HB ARG 10 2HB ARG 10 0.668 -4.962 -3.268 93 1HG ARG 10 1HG ARG 10 1.093 -7.145 -2.902 94 2HG ARG 10 2HG ARG 10 2.522 -6.494 -3.650 95 1HD ARG 10 1HD ARG 10 2.320 -6.965 -0.578 96 2HD ARG 10 2HD ARG 10 2.670 -8.279 -1.701 97 HE ARG 10 HE ARG 10 4.682 -6.827 -2.539 98 1HH1 ARG 10 2HH1 ARG 10 3.669 -6.676 0.907 99 2HH1 ARG 10 1HH1 ARG 10 5.390 -6.234 1.364 100 1HH2 ARG 10 1HH2 ARG 10 6.522 -6.290 -1.887 101 2HH2 ARG 10 2HH2 ARG 10 6.885 -6.033 -0.107 102 HA PRO 11 HA PRO 11 1.041 0.023 -4.130 103 1HB PRO 11 1HB PRO 11 -1.905 -0.645 -3.666 104 2HB PRO 11 2HB PRO 11 -1.337 0.430 -4.884 105 1HG PRO 11 1HG PRO 11 -1.878 -2.060 -5.670 106 2HG PRO 11 2HG PRO 11 -0.252 -1.463 -6.121 107 1HD PRO 11 1HD PRO 11 -1.015 -3.253 -3.750 108 2HD PRO 11 2HD PRO 11 0.312 -3.466 -4.902 109 H VAL 12 H VAL 12 -1.025 1.755 -2.934 110 HA VAL 12 HA VAL 12 0.742 2.686 -0.777 111 HB VAL 12 HB VAL 12 -1.816 3.978 -1.805 112 1HG1 VAL 12 1HG1 VAL 12 -1.227 4.889 0.464 113 2HG1 VAL 12 2HG1 VAL 12 0.368 5.397 -0.119 114 3HG1 VAL 12 3HG1 VAL 12 -1.122 6.146 -0.775 115 1HG2 VAL 12 1HG2 VAL 12 -0.056 3.844 -3.596 116 2HG2 VAL 12 2HG2 VAL 12 -0.426 5.525 -3.188 117 3HG2 VAL 12 3HG2 VAL 12 1.081 4.761 -2.591 118 H LYS 13 H LYS 13 0.572 1.806 1.230 119 HA LYS 13 HA LYS 13 -0.160 1.142 3.297 120 1HB LYS 13 1HB LYS 13 -0.901 3.522 3.281 121 2HB LYS 13 2HB LYS 13 -2.527 2.999 2.857 122 1HG LYS 13 1HG LYS 13 -2.636 1.711 5.053 123 2HG LYS 13 2HG LYS 13 -1.031 2.309 5.477 124 1HD LYS 13 1HD LYS 13 -1.865 4.683 5.429 125 2HD LYS 13 2HD LYS 13 -3.475 4.137 4.951 126 1HE LYS 13 1HE LYS 13 -3.733 2.886 7.118 127 2HE LYS 13 2HE LYS 13 -2.114 3.396 7.628 128 1HZ LYS 13 1HZ LYS 13 -4.371 5.237 6.992 129 2HZ LYS 13 2HZ LYS 13 -3.821 4.865 8.505 130 3HZ LYS 13 3HZ LYS 13 -2.862 5.716 7.463 131 H VAL 14 H VAL 14 -0.383 -1.023 2.511 132 HA VAL 14 HA VAL 14 -1.273 -3.104 2.909 133 HB VAL 14 HB VAL 14 -3.818 -1.971 4.115 134 1HG1 VAL 14 1HG1 VAL 14 -4.054 -4.382 3.474 135 2HG1 VAL 14 2HG1 VAL 14 -2.681 -4.817 4.512 136 3HG1 VAL 14 3HG1 VAL 14 -4.186 -4.159 5.225 137 1HG2 VAL 14 1HG2 VAL 14 -1.830 -1.184 5.419 138 2HG2 VAL 14 2HG2 VAL 14 -2.860 -2.252 6.385 139 3HG2 VAL 14 3HG2 VAL 14 -1.321 -2.862 5.700 140 H GLN 15 H GLN 15 -1.156 -3.250 0.590 141 HA GLN 15 HA GLN 15 -1.899 -4.057 -1.433 142 1HB GLN 15 1HB GLN 15 -4.622 -4.447 -0.132 143 2HB GLN 15 2HB GLN 15 -4.298 -4.985 -1.750 144 1HG GLN 15 1HG GLN 15 -2.863 -6.066 0.713 145 2HG GLN 15 2HG GLN 15 -4.278 -6.768 -0.054 146 1HE2 GLN 15 1HE2 GLN 15 -0.655 -7.507 -1.803 147 2HE2 GLN 15 2HE2 GLN 15 -0.827 -6.368 -0.374 148 HA PRO 16 HA PRO 16 -3.916 -0.274 -3.732 149 1HB PRO 16 1HB PRO 16 -6.891 -0.976 -3.449 150 2HB PRO 16 2HB PRO 16 -5.980 -0.637 -4.885 151 1HG PRO 16 1HG PRO 16 -6.553 -3.227 -3.509 152 2HG PRO 16 2HG PRO 16 -6.057 -2.978 -5.213 153 1HD PRO 16 1HD PRO 16 -4.153 -4.059 -3.573 154 2HD PRO 16 2HD PRO 16 -3.759 -2.741 -4.611 155 H ILE 17 H ILE 17 -5.689 1.613 -3.337 156 HA ILE 17 HA ILE 17 -4.120 2.743 -1.315 157 HB ILE 17 HB ILE 17 -6.410 4.398 -2.428 158 1HG1 ILE 17 1HG1 ILE 17 -5.802 3.512 -4.448 159 2HG1 ILE 17 2HG1 ILE 17 -5.273 5.162 -4.435 160 1HG2 ILE 17 1HG2 ILE 17 -4.995 5.499 -0.688 161 2HG2 ILE 17 2HG2 ILE 17 -3.589 5.375 -1.774 162 3HG2 ILE 17 3HG2 ILE 17 -4.997 6.367 -2.237 163 1HD1 ILE 17 1HD1 ILE 17 -3.465 2.662 -4.251 164 2HD1 ILE 17 2HD1 ILE 17 -3.689 3.720 -5.672 165 3HD1 ILE 17 3HD1 ILE 17 -2.857 4.342 -4.215 166 H ALA 18 H ALA 18 -4.421 2.591 0.837 167 HA ALA 18 HA ALA 18 -5.168 2.935 2.961 168 1HB ALA 18 1HB ALA 18 -5.797 5.161 2.348 169 2HB ALA 18 2HB ALA 18 -7.451 4.632 1.941 170 3HB ALA 18 3HB ALA 18 -6.865 4.513 3.621 171 H ARG 19 H ARG 19 -5.404 0.626 3.001 172 HA ARG 19 HA ARG 19 -6.306 -1.246 3.847 173 1HB ARG 19 1HB ARG 19 -7.336 0.232 5.573 174 2HB ARG 19 2HB ARG 19 -8.874 0.128 4.728 175 1HG ARG 19 1HG ARG 19 -8.935 -2.360 5.074 176 2HG ARG 19 2HG ARG 19 -7.344 -2.317 5.831 177 1HD ARG 19 1HD ARG 19 -8.240 -0.898 7.705 178 2HD ARG 19 2HD ARG 19 -9.848 -0.914 6.958 179 HE ARG 19 HE ARG 19 -10.052 -3.337 7.424 180 1HH1 ARG 19 2HH1 ARG 19 -7.059 -2.032 8.942 181 2HH1 ARG 19 1HH1 ARG 19 -6.992 -3.511 10.026 182 1HH2 ARG 19 1HH2 ARG 19 -9.831 -4.920 8.704 183 2HH2 ARG 19 2HH2 ARG 19 -8.441 -5.016 9.898 184 H ARG 20 H ARG 20 -6.117 -1.373 1.378 185 HA ARG 20 HA ARG 20 -6.534 -2.558 -0.450 186 1HB ARG 20 1HB ARG 20 -7.114 -4.425 1.083 187 2HB ARG 20 2HB ARG 20 -8.820 -4.036 0.922 188 1HG ARG 20 1HG ARG 20 -8.683 -4.512 -1.547 189 2HG ARG 20 2HG ARG 20 -6.976 -4.898 -1.405 190 1HD ARG 20 1HD ARG 20 -9.176 -6.471 0.117 191 2HD ARG 20 2HD ARG 20 -8.661 -6.859 -1.518 192 HE ARG 20 HE ARG 20 -6.256 -6.808 0.076 193 1HH1 ARG 20 2HH1 ARG 20 -9.178 -8.904 -0.137 194 2HH1 ARG 20 1HH1 ARG 20 -8.186 -10.310 0.498 195 1HH2 ARG 20 1HH2 ARG 20 -5.295 -8.478 0.773 196 2HH2 ARG 20 2HH2 ARG 20 -6.161 -10.083 0.972 197 H VAL 21 H VAL 21 -10.081 -2.571 -0.587 198 HA VAL 21 HA VAL 21 -9.540 -1.237 -3.146 199 HB VAL 21 HB VAL 21 -11.886 -1.631 -3.826 200 1HG1 VAL 21 1HG1 VAL 21 -10.094 -3.294 -4.337 201 2HG1 VAL 21 2HG1 VAL 21 -10.533 -4.223 -2.886 202 3HG1 VAL 21 3HG1 VAL 21 -11.695 -4.049 -4.233 203 1HG2 VAL 21 1HG2 VAL 21 -13.122 -1.643 -1.647 204 2HG2 VAL 21 2HG2 VAL 21 -13.500 -3.059 -2.646 205 3HG2 VAL 21 3HG2 VAL 21 -12.404 -3.216 -1.243 206 H TYR 22 1H TYR 22 -9.446 3.115 -4.272 207 H TYR 22 2H TYR 22 -8.890 0.828 -2.416 208 HA TYR 22 HA TYR 22 -10.774 3.164 -1.551 209 1HB TYR 22 1HB TYR 22 -8.683 3.630 -0.824 210 2HB TYR 22 2HB TYR 22 -7.995 3.397 -2.405 211 HD1 TYR 22 HD1 TYR 22 -8.392 5.007 -4.264 212 HD2 TYR 22 HD2 TYR 22 -10.099 5.638 -0.369 213 HE1 TYR 22 HE1 TYR 22 -8.856 7.362 -4.837 214 HE2 TYR 22 HE2 TYR 22 -10.549 7.982 -0.949 215 HH TYR 22 HH TYR 22 -10.400 9.548 -2.506 No H/Q in entry = 215 Start of MODEL 3 1 H PRO 1 H PRO 1 11.875 1.379 -3.545 2 HA PRO 1 HA PRO 1 11.205 3.626 -3.460 3 1HB PRO 1 1HB PRO 1 8.388 2.547 -4.031 4 2HB PRO 1 2HB PRO 1 8.984 4.192 -4.358 5 1HG PRO 1 1HG PRO 1 8.958 2.189 -6.282 6 2HG PRO 1 2HG PRO 1 10.219 3.452 -6.265 7 1HD PRO 1 1HD PRO 1 10.635 0.590 -5.756 8 2HD PRO 1 2HD PRO 1 11.821 1.928 -5.743 9 H GLN 2 H GLN 2 8.278 3.365 -1.807 10 HA GLN 2 HA GLN 2 9.877 3.298 0.782 11 1HB GLN 2 1HB GLN 2 8.558 5.380 0.067 12 2HB GLN 2 2HB GLN 2 7.078 4.441 0.236 13 1HG GLN 2 1HG GLN 2 7.600 4.147 2.697 14 2HG GLN 2 2HG GLN 2 9.095 5.055 2.498 15 1HE2 GLN 2 1HE2 GLN 2 7.320 8.229 2.561 16 2HE2 GLN 2 2HE2 GLN 2 8.918 7.353 2.346 17 H ASN 3 H ASN 3 9.992 0.980 0.549 18 HA ASN 3 HA ASN 3 9.690 -1.031 1.622 19 1HB ASN 3 1HB ASN 3 7.315 0.099 3.133 20 2HB ASN 3 2HB ASN 3 7.984 -1.501 3.400 21 1HD2 ASN 3 1HD2 ASN 3 10.804 -0.206 5.289 22 2HD2 ASN 3 2HD2 ASN 3 10.095 -1.649 4.404 23 H ALA 4 H ALA 4 9.283 -2.534 0.159 24 HA ALA 4 HA ALA 4 8.256 -4.113 -1.179 25 1HB ALA 4 1HB ALA 4 5.848 -3.712 0.588 26 2HB ALA 4 2HB ALA 4 5.925 -4.937 -0.710 27 3HB ALA 4 3HB ALA 4 7.055 -5.004 0.654 28 H LYS 5 H LYS 5 8.665 -2.672 -2.949 29 HA LYS 5 HA LYS 5 8.196 -2.075 -5.067 30 1HB LYS 5 1HB LYS 5 5.310 -2.981 -4.667 31 2HB LYS 5 2HB LYS 5 5.848 -2.186 -6.139 32 1HG LYS 5 1HG LYS 5 7.619 -4.038 -6.425 33 2HG LYS 5 2HG LYS 5 6.892 -4.854 -5.051 34 1HD LYS 5 1HD LYS 5 5.937 -5.963 -6.892 35 2HD LYS 5 2HD LYS 5 4.658 -4.905 -6.363 36 1HE LYS 5 1HE LYS 5 4.533 -4.710 -8.702 37 2HE LYS 5 2HE LYS 5 5.414 -3.251 -8.268 38 1HZ LYS 5 1HZ LYS 5 6.657 -5.781 -9.269 39 2HZ LYS 5 2HZ LYS 5 6.447 -4.393 -10.141 40 3HZ LYS 5 3HZ LYS 5 7.496 -4.416 -8.865 41 H LEU 6 H LEU 6 5.137 -0.602 -3.765 42 HA LEU 6 HA LEU 6 6.265 2.007 -4.868 43 1HB LEU 6 1HB LEU 6 3.388 1.156 -4.781 44 2HB LEU 6 2HB LEU 6 3.996 2.655 -5.442 45 HG LEU 6 HG LEU 6 4.580 -0.109 -6.704 46 1HD1 LEU 6 1HD1 LEU 6 2.152 0.441 -6.840 47 2HD1 LEU 6 2HD1 LEU 6 2.521 2.010 -7.593 48 3HD1 LEU 6 3HD1 LEU 6 2.887 0.484 -8.448 49 1HD2 LEU 6 1HD2 LEU 6 6.333 1.623 -7.303 50 2HD2 LEU 6 2HD2 LEU 6 5.392 1.141 -8.728 51 3HD2 LEU 6 3HD2 LEU 6 5.075 2.709 -7.928 52 H LYS 7 H LYS 7 3.406 1.938 -2.677 53 HA LYS 7 HA LYS 7 5.199 3.098 -0.481 54 1HB LYS 7 1HB LYS 7 4.010 4.911 -1.836 55 2HB LYS 7 2HB LYS 7 2.469 4.229 -1.338 56 1HG LYS 7 1HG LYS 7 3.067 4.719 1.055 57 2HG LYS 7 2HG LYS 7 4.617 5.367 0.576 58 1HD LYS 7 1HD LYS 7 1.913 6.561 -0.397 59 2HD LYS 7 2HD LYS 7 2.624 6.965 1.150 60 1HE LYS 7 1HE LYS 7 4.659 7.927 0.050 61 2HE LYS 7 2HE LYS 7 4.004 7.516 -1.544 62 1HZ LYS 7 1HZ LYS 7 2.088 8.957 -1.064 63 2HZ LYS 7 2HZ LYS 7 2.699 9.342 0.423 64 3HZ LYS 7 3HZ LYS 7 3.499 9.809 -0.945 65 H ILE 8 H ILE 8 5.177 1.117 0.554 66 HA ILE 8 HA ILE 8 4.611 -0.295 2.239 67 HB ILE 8 HB ILE 8 2.016 1.130 2.840 68 1HG1 ILE 8 1HG1 ILE 8 2.639 -1.223 3.989 69 2HG1 ILE 8 2HG1 ILE 8 3.774 -0.341 4.957 70 1HG2 ILE 8 1HG2 ILE 8 3.876 2.819 2.834 71 2HG2 ILE 8 2HG2 ILE 8 3.217 2.599 4.474 72 3HG2 ILE 8 3HG2 ILE 8 4.778 1.853 4.031 73 1HD1 ILE 8 1HD1 ILE 8 0.694 0.020 4.864 74 2HD1 ILE 8 2HD1 ILE 8 1.639 -0.795 6.139 75 3HD1 ILE 8 3HD1 ILE 8 1.779 0.970 5.921 76 H LYS 9 H LYS 9 4.517 -1.947 0.649 77 HA LYS 9 HA LYS 9 3.756 -4.026 -0.045 78 1HB LYS 9 1HB LYS 9 1.138 -3.662 1.442 79 2HB LYS 9 2HB LYS 9 1.619 -5.103 0.560 80 1HG LYS 9 1HG LYS 9 3.573 -5.434 2.111 81 2HG LYS 9 2HG LYS 9 3.096 -3.996 3.019 82 1HD LYS 9 1HD LYS 9 0.858 -5.092 3.570 83 2HD LYS 9 2HD LYS 9 1.341 -6.527 2.665 84 1HE LYS 9 1HE LYS 9 3.272 -6.898 4.273 85 2HE LYS 9 2HE LYS 9 2.788 -5.454 5.183 86 1HZ LYS 9 1HZ LYS 9 1.079 -7.860 4.750 87 2HZ LYS 9 2HZ LYS 9 1.860 -7.468 6.152 88 3HZ LYS 9 3HZ LYS 9 0.629 -6.516 5.598 89 H ARG 10 H ARG 10 3.812 -3.391 -2.175 90 HA ARG 10 HA ARG 10 3.088 -3.063 -4.366 91 1HB ARG 10 1HB ARG 10 0.607 -4.453 -3.242 92 2HB ARG 10 2HB ARG 10 0.738 -4.066 -4.942 93 1HG ARG 10 1HG ARG 10 2.877 -5.454 -5.093 94 2HG ARG 10 2HG ARG 10 2.607 -5.936 -3.430 95 1HD ARG 10 1HD ARG 10 1.780 -7.751 -4.684 96 2HD ARG 10 2HD ARG 10 0.316 -6.929 -4.163 97 HE ARG 10 HE ARG 10 1.519 -6.766 -6.990 98 1HH1 ARG 10 2HH1 ARG 10 -1.449 -6.398 -5.000 99 2HH1 ARG 10 1HH1 ARG 10 -2.412 -6.126 -6.538 100 1HH2 ARG 10 1HH2 ARG 10 0.320 -6.474 -8.595 101 2HH2 ARG 10 2HH2 ARG 10 -1.481 -6.166 -8.421 102 HA PRO 11 HA PRO 11 0.995 0.995 -4.700 103 1HB PRO 11 1HB PRO 11 -1.995 0.468 -4.806 104 2HB PRO 11 2HB PRO 11 -1.032 1.623 -5.749 105 1HG PRO 11 1HG PRO 11 -1.712 -0.712 -6.922 106 2HG PRO 11 2HG PRO 11 -0.032 -0.118 -7.087 107 1HD PRO 11 1HD PRO 11 -1.086 -2.233 -5.145 108 2HD PRO 11 2HD PRO 11 0.373 -2.264 -6.173 109 H VAL 12 H VAL 12 -1.272 2.409 -3.416 110 HA VAL 12 HA VAL 12 0.364 3.056 -1.111 111 HB VAL 12 HB VAL 12 -2.296 4.288 -1.955 112 1HG1 VAL 12 1HG1 VAL 12 -1.756 4.918 0.426 113 2HG1 VAL 12 2HG1 VAL 12 -0.199 5.602 -0.068 114 3HG1 VAL 12 3HG1 VAL 12 -1.734 6.346 -0.619 115 1HG2 VAL 12 1HG2 VAL 12 -0.521 4.541 -3.730 116 2HG2 VAL 12 2HG2 VAL 12 -0.998 6.123 -3.093 117 3HG2 VAL 12 3HG2 VAL 12 0.551 5.373 -2.593 118 H LYS 13 H LYS 13 0.301 1.848 0.728 119 HA LYS 13 HA LYS 13 -0.373 0.948 2.749 120 1HB LYS 13 1HB LYS 13 -2.875 2.653 2.422 121 2HB LYS 13 2HB LYS 13 -2.493 1.776 3.893 122 1HG LYS 13 1HG LYS 13 -0.489 3.129 4.340 123 2HG LYS 13 2HG LYS 13 -0.594 3.891 2.764 124 1HD LYS 13 1HD LYS 13 -1.351 5.571 4.160 125 2HD LYS 13 2HD LYS 13 -2.821 4.952 3.460 126 1HE LYS 13 1HE LYS 13 -3.361 5.402 5.717 127 2HE LYS 13 2HE LYS 13 -3.218 3.647 5.673 128 1HZ LYS 13 1HZ LYS 13 -1.116 5.537 6.649 129 2HZ LYS 13 2HZ LYS 13 -2.089 4.599 7.598 130 3HZ LYS 13 3HZ LYS 13 -0.959 3.893 6.622 131 H VAL 14 H VAL 14 -0.385 -1.126 1.689 132 HA VAL 14 HA VAL 14 -1.078 -3.293 1.912 133 HB VAL 14 HB VAL 14 -3.696 -2.545 3.241 134 1HG1 VAL 14 1HG1 VAL 14 -3.707 -4.895 2.361 135 2HG1 VAL 14 2HG1 VAL 14 -2.263 -5.286 3.313 136 3HG1 VAL 14 3HG1 VAL 14 -3.801 -4.870 4.131 137 1HG2 VAL 14 1HG2 VAL 14 -1.744 -1.703 4.580 138 2HG2 VAL 14 2HG2 VAL 14 -2.628 -2.966 5.454 139 3HG2 VAL 14 3HG2 VAL 14 -1.065 -3.339 4.664 140 H GLN 15 H GLN 15 -0.946 -3.283 -0.420 141 HA GLN 15 HA GLN 15 -1.636 -4.239 -2.354 142 1HB GLN 15 1HB GLN 15 -4.415 -4.853 -1.360 143 2HB GLN 15 2HB GLN 15 -3.574 -5.581 -2.714 144 1HG GLN 15 1HG GLN 15 -2.847 -6.045 0.208 145 2HG GLN 15 2HG GLN 15 -3.850 -7.079 -0.795 146 1HE2 GLN 15 1HE2 GLN 15 0.212 -7.389 -1.260 147 2HE2 GLN 15 2HE2 GLN 15 -0.544 -6.105 -0.190 148 HA PRO 16 HA PRO 16 -3.939 -0.639 -4.434 149 1HB PRO 16 1HB PRO 16 -6.831 -0.783 -4.537 150 2HB PRO 16 2HB PRO 16 -5.657 -1.156 -5.811 151 1HG PRO 16 1HG PRO 16 -6.900 -3.074 -3.759 152 2HG PRO 16 2HG PRO 16 -6.687 -3.316 -5.519 153 1HD PRO 16 1HD PRO 16 -4.820 -4.468 -3.976 154 2HD PRO 16 2HD PRO 16 -4.304 -3.457 -5.285 155 H ILE 17 H ILE 17 -5.770 1.282 -3.944 156 HA ILE 17 HA ILE 17 -4.344 2.506 -1.839 157 HB ILE 17 HB ILE 17 -6.801 3.654 -3.228 158 1HG1 ILE 17 1HG1 ILE 17 -5.877 4.915 -1.036 159 2HG1 ILE 17 2HG1 ILE 17 -4.509 5.398 -1.975 160 1HG2 ILE 17 1HG2 ILE 17 -4.981 2.998 -4.880 161 2HG2 ILE 17 2HG2 ILE 17 -5.192 4.763 -4.858 162 3HG2 ILE 17 3HG2 ILE 17 -3.801 4.018 -4.021 163 1HD1 ILE 17 1HD1 ILE 17 -7.484 6.150 -2.453 164 2HD1 ILE 17 2HD1 ILE 17 -6.212 7.187 -1.756 165 3HD1 ILE 17 3HD1 ILE 17 -6.133 6.725 -3.473 166 H ALA 18 H ALA 18 -4.663 2.166 0.279 167 HA ALA 18 HA ALA 18 -5.480 2.293 2.389 168 1HB ALA 18 1HB ALA 18 -6.278 4.487 1.828 169 2HB ALA 18 2HB ALA 18 -7.878 3.836 1.379 170 3HB ALA 18 3HB ALA 18 -7.306 3.714 3.065 171 H ARG 19 H ARG 19 -5.513 -0.078 2.159 172 HA ARG 19 HA ARG 19 -6.287 -2.060 3.039 173 1HB ARG 19 1HB ARG 19 -8.816 -0.737 4.116 174 2HB ARG 19 2HB ARG 19 -8.315 -2.385 4.374 175 1HG ARG 19 1HG ARG 19 -7.675 -1.441 6.364 176 2HG ARG 19 2HG ARG 19 -6.152 -1.528 5.491 177 1HD ARG 19 1HD ARG 19 -6.375 0.953 4.933 178 2HD ARG 19 2HD ARG 19 -7.901 1.006 5.826 179 HE ARG 19 HE ARG 19 -5.138 0.567 7.041 180 1HH1 ARG 19 2HH1 ARG 19 -8.615 1.172 7.752 181 2HH1 ARG 19 1HH1 ARG 19 -8.172 1.531 9.496 182 1HH2 ARG 19 1HH2 ARG 19 -4.814 0.996 9.017 183 2HH2 ARG 19 2HH2 ARG 19 -6.187 1.437 10.151 184 H ARG 20 H ARG 20 -6.232 -2.219 0.536 185 HA ARG 20 HA ARG 20 -6.929 -3.391 -1.284 186 1HB ARG 20 1HB ARG 20 -9.440 -4.264 0.157 187 2HB ARG 20 2HB ARG 20 -9.148 -4.655 -1.511 188 1HG ARG 20 1HG ARG 20 -7.186 -5.456 0.752 189 2HG ARG 20 2HG ARG 20 -8.628 -6.395 0.399 190 1HD ARG 20 1HD ARG 20 -7.840 -6.839 -1.940 191 2HD ARG 20 2HD ARG 20 -6.381 -5.891 -1.639 192 HE ARG 20 HE ARG 20 -5.583 -7.606 -0.036 193 1HH1 ARG 20 1HH1 ARG 20 -8.216 -10.444 -1.122 194 2HH1 ARG 20 2HH1 ARG 20 -8.603 -8.728 -1.645 195 1HH2 ARG 20 1HH2 ARG 20 -5.300 -9.571 0.468 196 2HH2 ARG 20 2HH2 ARG 20 -6.491 -10.878 -0.019 197 H VAL 21 H VAL 21 -10.243 -2.095 -0.775 198 HA VAL 21 HA VAL 21 -10.075 -2.166 -3.584 199 HB VAL 21 HB VAL 21 -12.455 -1.784 -3.800 200 1HG1 VAL 21 1HG1 VAL 21 -11.574 -4.079 -3.434 201 2HG1 VAL 21 2HG1 VAL 21 -11.901 -3.940 -1.692 202 3HG1 VAL 21 3HG1 VAL 21 -13.247 -3.908 -2.868 203 1HG2 VAL 21 1HG2 VAL 21 -12.975 -0.237 -1.881 204 2HG2 VAL 21 2HG2 VAL 21 -14.078 -1.623 -1.944 205 3HG2 VAL 21 3HG2 VAL 21 -12.757 -1.581 -0.740 206 H TYR 22 1H TYR 22 -9.310 -0.070 -6.933 207 H TYR 22 2H TYR 22 -8.558 -0.489 -4.183 208 HA TYR 22 HA TYR 22 -9.787 2.196 -4.820 209 1HB TYR 22 1HB TYR 22 -7.408 2.043 -4.462 210 2HB TYR 22 2HB TYR 22 -7.198 1.014 -5.854 211 HD1 TYR 22 HD1 TYR 22 -8.249 4.505 -4.739 212 HD2 TYR 22 HD2 TYR 22 -7.040 2.088 -8.095 213 HE1 TYR 22 HE1 TYR 22 -7.990 6.495 -6.113 214 HE2 TYR 22 HE2 TYR 22 -6.800 4.099 -9.425 215 HH TYR 22 HH TYR 22 -6.953 6.293 -9.499 No H/Q in entry = 215 Start of MODEL 4 1 H PRO 1 H PRO 1 12.441 1.689 -2.896 2 HA PRO 1 HA PRO 1 11.187 3.632 -3.243 3 1HB PRO 1 1HB PRO 1 8.827 1.624 -3.383 4 2HB PRO 1 2HB PRO 1 8.777 3.257 -4.043 5 1HG PRO 1 1HG PRO 1 9.441 1.198 -5.680 6 2HG PRO 1 2HG PRO 1 10.392 2.706 -5.777 7 1HD PRO 1 1HD PRO 1 11.301 0.069 -4.722 8 2HD PRO 1 2HD PRO 1 12.242 1.535 -5.136 9 H GLN 2 H GLN 2 8.445 3.263 -1.491 10 HA GLN 2 HA GLN 2 9.931 3.669 1.143 11 1HB GLN 2 1HB GLN 2 8.487 5.579 0.160 12 2HB GLN 2 2HB GLN 2 7.084 4.541 0.431 13 1HG GLN 2 1HG GLN 2 7.598 4.531 2.907 14 2HG GLN 2 2HG GLN 2 8.979 5.582 2.609 15 1HE2 GLN 2 1HE2 GLN 2 5.270 7.312 2.691 16 2HE2 GLN 2 2HE2 GLN 2 5.517 5.508 2.913 17 H ASN 3 H ASN 3 10.199 1.340 1.202 18 HA ASN 3 HA ASN 3 9.901 -0.562 2.464 19 1HB ASN 3 1HB ASN 3 7.373 0.612 3.664 20 2HB ASN 3 2HB ASN 3 8.076 -0.915 4.161 21 1HD2 ASN 3 1HD2 ASN 3 10.696 0.707 6.086 22 2HD2 ASN 3 2HD2 ASN 3 10.109 -0.856 5.325 23 H ALA 4 H ALA 4 9.644 -2.271 1.215 24 HA ALA 4 HA ALA 4 8.787 -4.042 0.053 25 1HB ALA 4 1HB ALA 4 7.645 -4.549 2.095 26 2HB ALA 4 2HB ALA 4 6.198 -3.650 1.564 27 3HB ALA 4 3HB ALA 4 6.716 -5.111 0.680 28 H LYS 5 H LYS 5 9.125 -2.930 -1.959 29 HA LYS 5 HA LYS 5 8.572 -2.916 -4.179 30 1HB LYS 5 1HB LYS 5 7.057 -4.772 -3.851 31 2HB LYS 5 2HB LYS 5 5.775 -3.692 -3.471 32 1HG LYS 5 1HG LYS 5 5.150 -4.170 -5.612 33 2HG LYS 5 2HG LYS 5 6.043 -2.686 -5.903 34 1HD LYS 5 1HD LYS 5 8.090 -4.181 -6.526 35 2HD LYS 5 2HD LYS 5 7.042 -5.587 -6.302 36 1HE LYS 5 1HE LYS 5 5.521 -4.759 -8.150 37 2HE LYS 5 2HE LYS 5 6.564 -3.343 -8.372 38 1HZ LYS 5 1HZ LYS 5 8.406 -4.858 -8.900 39 2HZ LYS 5 2HZ LYS 5 7.434 -6.178 -8.692 40 3HZ LYS 5 3HZ LYS 5 7.132 -5.115 -9.920 41 H LEU 6 H LEU 6 5.460 -1.155 -3.306 42 HA LEU 6 HA LEU 6 6.865 1.356 -4.383 43 1HB LEU 6 1HB LEU 6 3.980 0.516 -4.613 44 2HB LEU 6 2HB LEU 6 4.530 2.114 -5.014 45 HG LEU 6 HG LEU 6 5.637 -0.354 -6.479 46 1HD1 LEU 6 1HD1 LEU 6 3.155 -0.315 -6.802 47 2HD1 LEU 6 2HD1 LEU 6 3.235 1.365 -7.376 48 3HD1 LEU 6 3HD1 LEU 6 3.977 0.046 -8.326 49 1HD2 LEU 6 1HD2 LEU 6 7.013 1.737 -6.762 50 2HD2 LEU 6 2HD2 LEU 6 6.303 1.228 -8.309 51 3HD2 LEU 6 3HD2 LEU 6 5.602 2.604 -7.405 52 H LYS 7 H LYS 7 3.787 1.537 -2.503 53 HA LYS 7 HA LYS 7 5.384 3.147 -0.425 54 1HB LYS 7 1HB LYS 7 2.745 3.909 -1.734 55 2HB LYS 7 2HB LYS 7 3.438 4.746 -0.371 56 1HG LYS 7 1HG LYS 7 4.728 4.624 -3.169 57 2HG LYS 7 2HG LYS 7 3.585 5.851 -2.652 58 1HD LYS 7 1HD LYS 7 5.237 6.543 -0.794 59 2HD LYS 7 2HD LYS 7 6.363 5.373 -1.471 60 1HE LYS 7 1HE LYS 7 7.117 7.401 -2.351 61 2HE LYS 7 2HE LYS 7 6.277 6.680 -3.717 62 1HZ LYS 7 1HZ LYS 7 5.174 8.785 -1.900 63 2HZ LYS 7 2HZ LYS 7 5.716 9.020 -3.443 64 3HZ LYS 7 3HZ LYS 7 4.353 8.127 -3.173 65 H ILE 8 H ILE 8 5.329 1.343 0.949 66 HA ILE 8 HA ILE 8 4.667 0.251 2.828 67 HB ILE 8 HB ILE 8 1.992 1.655 3.061 68 1HG1 ILE 8 1HG1 ILE 8 2.702 -0.419 4.628 69 2HG1 ILE 8 2HG1 ILE 8 3.731 0.693 5.467 70 1HG2 ILE 8 1HG2 ILE 8 3.743 3.441 2.827 71 2HG2 ILE 8 2HG2 ILE 8 3.021 3.461 4.456 72 3HG2 ILE 8 3HG2 ILE 8 4.645 2.762 4.207 73 1HD1 ILE 8 1HD1 ILE 8 0.645 0.816 5.195 74 2HD1 ILE 8 2HD1 ILE 8 1.575 0.299 6.628 75 3HD1 ILE 8 3HD1 ILE 8 1.615 2.007 6.111 76 H LYS 9 H LYS 9 4.646 -1.698 1.617 77 HA LYS 9 HA LYS 9 3.880 -3.781 1.046 78 1HB LYS 9 1HB LYS 9 2.803 -4.026 3.081 79 2HB LYS 9 2HB LYS 9 1.470 -2.998 2.646 80 1HG LYS 9 1HG LYS 9 0.616 -5.165 2.852 81 2HG LYS 9 2HG LYS 9 0.508 -4.765 1.159 82 1HD LYS 9 1HD LYS 9 2.717 -6.554 2.372 83 2HD LYS 9 2HD LYS 9 1.141 -7.162 1.867 84 1HE LYS 9 1HE LYS 9 1.568 -6.498 -0.502 85 2HE LYS 9 2HE LYS 9 3.152 -5.842 -0.050 86 1HZ LYS 9 1HZ LYS 9 2.316 -8.687 0.288 87 2HZ LYS 9 2HZ LYS 9 3.337 -8.114 -0.878 88 3HZ LYS 9 3HZ LYS 9 3.792 -8.076 0.710 89 H ARG 10 H ARG 10 4.173 -3.378 -1.100 90 HA ARG 10 HA ARG 10 3.746 -3.187 -3.306 91 1HB ARG 10 1HB ARG 10 2.178 -5.340 -2.349 92 2HB ARG 10 2HB ARG 10 1.032 -4.456 -3.322 93 1HG ARG 10 1HG ARG 10 2.634 -4.574 -5.305 94 2HG ARG 10 2HG ARG 10 3.799 -5.415 -4.288 95 1HD ARG 10 1HD ARG 10 2.152 -7.335 -4.014 96 2HD ARG 10 2HD ARG 10 1.011 -6.482 -5.070 97 HE ARG 10 HE ARG 10 3.848 -7.205 -6.020 98 1HH1 ARG 10 2HH1 ARG 10 0.329 -7.298 -6.787 99 2HH1 ARG 10 1HH1 ARG 10 0.737 -7.960 -8.449 100 1HH2 ARG 10 1HH2 ARG 10 4.126 -7.956 -7.896 101 2HH2 ARG 10 2HH2 ARG 10 2.721 -8.302 -9.024 102 HA PRO 11 HA PRO 11 1.296 0.464 -4.649 103 1HB PRO 11 1HB PRO 11 -1.538 -0.755 -4.408 104 2HB PRO 11 2HB PRO 11 -1.127 0.573 -5.462 105 1HG PRO 11 1HG PRO 11 -1.136 -1.895 -6.523 106 2HG PRO 11 2HG PRO 11 0.339 -0.926 -6.824 107 1HD PRO 11 1HD PRO 11 -0.079 -3.159 -4.799 108 2HD PRO 11 2HD PRO 11 1.373 -2.775 -5.764 109 H VAL 12 H VAL 12 -1.073 1.914 -3.489 110 HA VAL 12 HA VAL 12 0.658 2.899 -1.297 111 HB VAL 12 HB VAL 12 -1.932 4.179 -2.280 112 1HG1 VAL 12 1HG1 VAL 12 -1.221 5.032 -0.021 113 2HG1 VAL 12 2HG1 VAL 12 0.346 5.544 -0.670 114 3HG1 VAL 12 3HG1 VAL 12 -1.167 6.325 -1.229 115 1HG2 VAL 12 1HG2 VAL 12 -0.258 4.091 -4.161 116 2HG2 VAL 12 2HG2 VAL 12 -0.599 5.765 -3.694 117 3HG2 VAL 12 3HG2 VAL 12 0.929 4.976 -3.190 118 H LYS 13 H LYS 13 0.429 2.049 0.743 119 HA LYS 13 HA LYS 13 -0.464 1.453 2.801 120 1HB LYS 13 1HB LYS 13 -2.787 3.110 1.733 121 2HB LYS 13 2HB LYS 13 -2.968 2.380 3.289 122 1HG LYS 13 1HG LYS 13 -1.003 3.676 4.194 123 2HG LYS 13 2HG LYS 13 -0.655 4.288 2.586 124 1HD LYS 13 1HD LYS 13 -1.657 6.096 3.572 125 2HD LYS 13 2HD LYS 13 -2.960 5.476 2.590 126 1HE LYS 13 1HE LYS 13 -2.706 5.004 5.641 127 2HE LYS 13 2HE LYS 13 -3.562 6.365 4.914 128 1HZ LYS 13 1HZ LYS 13 -5.055 4.802 3.803 129 2HZ LYS 13 2HZ LYS 13 -4.274 3.510 4.472 130 3HZ LYS 13 3HZ LYS 13 -5.085 4.576 5.439 131 H VAL 14 H VAL 14 -0.258 -0.747 1.840 132 HA VAL 14 HA VAL 14 -0.823 -2.943 2.260 133 HB VAL 14 HB VAL 14 -3.511 -2.214 3.463 134 1HG1 VAL 14 1HG1 VAL 14 -3.405 -4.618 2.756 135 2HG1 VAL 14 2HG1 VAL 14 -1.980 -4.883 3.778 136 3HG1 VAL 14 3HG1 VAL 14 -3.559 -4.469 4.514 137 1HG2 VAL 14 1HG2 VAL 14 -1.640 -1.199 4.793 138 2HG2 VAL 14 2HG2 VAL 14 -2.504 -2.429 5.730 139 3HG2 VAL 14 3HG2 VAL 14 -0.901 -2.796 5.019 140 H GLN 15 H GLN 15 -0.653 -3.206 -0.015 141 HA GLN 15 HA GLN 15 -1.255 -3.742 -2.195 142 1HB GLN 15 1HB GLN 15 -3.882 -4.638 -0.892 143 2HB GLN 15 2HB GLN 15 -3.557 -4.909 -2.584 144 1HG GLN 15 1HG GLN 15 -1.627 -6.326 -2.115 145 2HG GLN 15 2HG GLN 15 -1.809 -6.057 -0.379 146 1HE2 GLN 15 1HE2 GLN 15 -4.471 -8.521 -0.146 147 2HE2 GLN 15 2HE2 GLN 15 -3.450 -7.256 0.704 148 HA PRO 16 HA PRO 16 -3.479 -0.039 -4.177 149 1HB PRO 16 1HB PRO 16 -6.307 -1.305 -4.033 150 2HB PRO 16 2HB PRO 16 -5.754 -0.140 -5.230 151 1HG PRO 16 1HG PRO 16 -5.641 -2.756 -5.868 152 2HG PRO 16 2HG PRO 16 -4.209 -1.740 -6.229 153 1HD PRO 16 1HD PRO 16 -4.546 -3.778 -4.079 154 2HD PRO 16 2HD PRO 16 -3.071 -3.189 -4.837 155 H ILE 17 H ILE 17 -5.723 1.613 -3.691 156 HA ILE 17 HA ILE 17 -4.229 2.912 -1.613 157 HB ILE 17 HB ILE 17 -6.673 3.839 -3.202 158 1HG1 ILE 17 1HG1 ILE 17 -3.762 4.899 -3.526 159 2HG1 ILE 17 2HG1 ILE 17 -4.296 3.464 -4.338 160 1HG2 ILE 17 1HG2 ILE 17 -6.634 5.144 -1.034 161 2HG2 ILE 17 2HG2 ILE 17 -4.968 5.676 -1.376 162 3HG2 ILE 17 3HG2 ILE 17 -6.308 6.192 -2.437 163 1HD1 ILE 17 1HD1 ILE 17 -6.011 4.672 -5.656 164 2HD1 ILE 17 2HD1 ILE 17 -5.516 6.206 -4.886 165 3HD1 ILE 17 3HD1 ILE 17 -4.362 5.307 -5.902 166 H ALA 18 H ALA 18 -4.464 2.632 0.622 167 HA ALA 18 HA ALA 18 -5.345 2.781 2.696 168 1HB ALA 18 1HB ALA 18 -6.212 4.897 1.976 169 2HB ALA 18 2HB ALA 18 -7.771 4.154 1.529 170 3HB ALA 18 3HB ALA 18 -7.242 4.161 3.233 171 H ARG 19 H ARG 19 -5.279 0.417 2.735 172 HA ARG 19 HA ARG 19 -6.046 -1.556 3.644 173 1HB ARG 19 1HB ARG 19 -8.652 -0.204 4.452 174 2HB ARG 19 2HB ARG 19 -8.244 -1.874 4.807 175 1HG ARG 19 1HG ARG 19 -6.241 -1.133 6.116 176 2HG ARG 19 2HG ARG 19 -6.622 0.551 5.804 177 1HD ARG 19 1HD ARG 19 -8.554 -1.351 7.306 178 2HD ARG 19 2HD ARG 19 -7.279 -0.436 8.099 179 HE ARG 19 HE ARG 19 -8.831 1.485 6.598 180 1HH1 ARG 19 2HH1 ARG 19 -9.363 -0.585 9.497 181 2HH1 ARG 19 1HH1 ARG 19 -10.594 0.630 10.109 182 1HH2 ARG 19 1HH2 ARG 19 -10.228 2.737 7.423 183 2HH2 ARG 19 2HH2 ARG 19 -11.041 2.361 9.024 184 H ARG 20 H ARG 20 -5.774 -1.806 1.181 185 HA ARG 20 HA ARG 20 -6.114 -3.157 -0.517 186 1HB ARG 20 1HB ARG 20 -7.020 -4.867 1.085 187 2HB ARG 20 2HB ARG 20 -8.649 -4.409 0.613 188 1HG ARG 20 1HG ARG 20 -8.052 -5.064 -1.812 189 2HG ARG 20 2HG ARG 20 -6.474 -5.555 -1.232 190 1HD ARG 20 1HD ARG 20 -7.640 -7.584 -1.390 191 2HD ARG 20 2HD ARG 20 -7.674 -7.270 0.339 192 HE ARG 20 HE ARG 20 -10.104 -6.261 -1.093 193 1HH1 ARG 20 2HH1 ARG 20 -8.791 -9.210 0.506 194 2HH1 ARG 20 1HH1 ARG 20 -10.504 -9.833 0.711 195 1HH2 ARG 20 1HH2 ARG 20 -11.947 -7.100 -0.786 196 2HH2 ARG 20 2HH2 ARG 20 -12.147 -8.729 0.036 197 H VAL 21 H VAL 21 -9.672 -2.805 -0.815 198 HA VAL 21 HA VAL 21 -8.848 -1.759 -3.486 199 HB VAL 21 HB VAL 21 -11.692 -2.624 -2.709 200 1HG1 VAL 21 1HG1 VAL 21 -11.562 -1.348 -4.866 201 2HG1 VAL 21 2HG1 VAL 21 -10.438 -2.542 -5.541 202 3HG1 VAL 21 3HG1 VAL 21 -12.121 -3.004 -5.137 203 1HG2 VAL 21 1HG2 VAL 21 -10.184 -4.578 -2.296 204 2HG2 VAL 21 2HG2 VAL 21 -11.281 -4.920 -3.637 205 3HG2 VAL 21 3HG2 VAL 21 -9.567 -4.507 -3.960 206 H TYR 22 1H TYR 22 -7.860 2.874 -4.876 207 H TYR 22 2H TYR 22 -8.330 0.313 -2.160 208 HA TYR 22 HA TYR 22 -10.027 2.010 -4.017 209 1HB TYR 22 1HB TYR 22 -8.495 3.563 -1.953 210 2HB TYR 22 2HB TYR 22 -9.295 4.135 -3.365 211 HD1 TYR 22 HD1 TYR 22 -11.812 4.314 -3.452 212 HD2 TYR 22 HD2 TYR 22 -9.869 2.705 0.045 213 HE1 TYR 22 HE1 TYR 22 -13.865 4.539 -2.174 214 HE2 TYR 22 HE2 TYR 22 -11.943 2.949 1.277 215 HH TYR 22 HH TYR 22 -14.870 4.259 -0.236 No H/Q in entry = 215 Start of MODEL 5 1 H PRO 1 H PRO 1 11.120 0.917 -1.581 2 HA PRO 1 HA PRO 1 11.223 3.831 -2.040 3 1HB PRO 1 1HB PRO 1 8.876 1.843 -2.383 4 2HB PRO 1 2HB PRO 1 8.850 3.502 -2.964 5 1HG PRO 1 1HG PRO 1 9.582 1.502 -4.656 6 2HG PRO 1 2HG PRO 1 10.505 3.030 -4.677 7 1HD PRO 1 1HD PRO 1 11.468 0.383 -3.736 8 2HD PRO 1 2HD PRO 1 12.364 1.910 -3.993 9 H GLN 2 H GLN 2 8.410 3.348 -0.421 10 HA GLN 2 HA GLN 2 9.804 3.609 2.279 11 1HB GLN 2 1HB GLN 2 8.347 5.582 1.325 12 2HB GLN 2 2HB GLN 2 6.979 4.514 1.607 13 1HG GLN 2 1HG GLN 2 7.005 5.951 3.483 14 2HG GLN 2 2HG GLN 2 7.685 4.464 4.110 15 1HE2 GLN 2 1HE2 GLN 2 10.055 7.823 4.089 16 2HE2 GLN 2 2HE2 GLN 2 8.402 7.802 3.293 17 H ASN 3 H ASN 3 10.038 1.283 2.243 18 HA ASN 3 HA ASN 3 9.672 -0.665 3.411 19 1HB ASN 3 1HB ASN 3 7.087 0.455 4.569 20 2HB ASN 3 2HB ASN 3 7.833 -1.063 5.038 21 1HD2 ASN 3 1HD2 ASN 3 9.453 2.375 6.564 22 2HD2 ASN 3 2HD2 ASN 3 8.144 2.418 5.279 23 H ALA 4 H ALA 4 9.451 -2.298 2.068 24 HA ALA 4 HA ALA 4 8.620 -4.034 0.839 25 1HB ALA 4 1HB ALA 4 7.379 -4.570 2.826 26 2HB ALA 4 2HB ALA 4 5.943 -3.722 2.192 27 3HB ALA 4 3HB ALA 4 6.590 -5.157 1.340 28 H LYS 5 H LYS 5 9.054 -2.859 -1.074 29 HA LYS 5 HA LYS 5 8.729 -2.649 -3.246 30 1HB LYS 5 1HB LYS 5 7.109 -4.494 -3.187 31 2HB LYS 5 2HB LYS 5 5.775 -3.351 -3.112 32 1HG LYS 5 1HG LYS 5 6.482 -2.405 -5.357 33 2HG LYS 5 2HG LYS 5 7.819 -3.552 -5.423 34 1HD LYS 5 1HD LYS 5 6.209 -5.483 -5.425 35 2HD LYS 5 2HD LYS 5 4.838 -4.370 -5.316 36 1HE LYS 5 1HE LYS 5 5.449 -3.372 -7.554 37 2HE LYS 5 2HE LYS 5 6.831 -4.476 -7.678 38 1HZ LYS 5 1HZ LYS 5 3.980 -5.320 -7.449 39 2HZ LYS 5 2HZ LYS 5 4.892 -5.354 -8.826 40 3HZ LYS 5 3HZ LYS 5 5.267 -6.349 -7.562 41 H LEU 6 H LEU 6 5.576 -0.951 -2.464 42 HA LEU 6 HA LEU 6 6.972 1.579 -3.502 43 1HB LEU 6 1HB LEU 6 4.034 1.089 -3.769 44 2HB LEU 6 2HB LEU 6 4.964 2.379 -4.482 45 HG LEU 6 HG LEU 6 5.193 -0.555 -5.399 46 1HD1 LEU 6 1HD1 LEU 6 2.898 0.309 -5.850 47 2HD1 LEU 6 2HD1 LEU 6 3.569 1.707 -6.723 48 3HD1 LEU 6 3HD1 LEU 6 3.772 0.052 -7.365 49 1HD2 LEU 6 1HD2 LEU 6 7.235 0.811 -5.974 50 2HD2 LEU 6 2HD2 LEU 6 6.367 0.304 -7.437 51 3HD2 LEU 6 3HD2 LEU 6 6.227 1.987 -6.846 52 H LYS 7 H LYS 7 3.817 1.631 -1.787 53 HA LYS 7 HA LYS 7 5.215 3.243 0.442 54 1HB LYS 7 1HB LYS 7 2.733 3.866 -1.273 55 2HB LYS 7 2HB LYS 7 2.868 4.563 0.291 56 1HG LYS 7 1HG LYS 7 5.055 4.935 -1.870 57 2HG LYS 7 2HG LYS 7 3.585 5.893 -1.846 58 1HD LYS 7 1HD LYS 7 4.148 6.775 0.451 59 2HD LYS 7 2HD LYS 7 5.616 5.818 0.438 60 1HE LYS 7 1HE LYS 7 6.381 7.960 -0.116 61 2HE LYS 7 2HE LYS 7 6.375 7.155 -1.678 62 1HZ LYS 7 1HZ LYS 7 4.261 9.012 -0.659 63 2HZ LYS 7 2HZ LYS 7 5.404 9.371 -1.798 64 3HZ LYS 7 3HZ LYS 7 4.219 8.269 -2.135 65 H ILE 8 H ILE 8 5.222 1.288 1.701 66 HA ILE 8 HA ILE 8 4.559 0.047 3.398 67 HB ILE 8 HB ILE 8 3.470 1.994 4.515 68 1HG1 ILE 8 1HG1 ILE 8 2.563 -0.811 5.091 69 2HG1 ILE 8 2HG1 ILE 8 3.328 0.368 6.132 70 1HG2 ILE 8 1HG2 ILE 8 1.611 2.550 2.875 71 2HG2 ILE 8 2HG2 ILE 8 0.775 1.033 3.289 72 3HG2 ILE 8 3HG2 ILE 8 0.958 2.340 4.479 73 1HD1 ILE 8 1HD1 ILE 8 1.155 1.603 6.473 74 2HD1 ILE 8 2HD1 ILE 8 0.313 0.363 5.509 75 3HD1 ILE 8 3HD1 ILE 8 1.105 -0.086 7.029 76 H LYS 9 H LYS 9 4.535 -1.778 2.081 77 HA LYS 9 HA LYS 9 3.821 -3.828 1.425 78 1HB LYS 9 1HB LYS 9 2.442 -3.821 3.578 79 2HB LYS 9 2HB LYS 9 1.045 -3.399 2.600 80 1HG LYS 9 1HG LYS 9 1.449 -5.607 1.285 81 2HG LYS 9 2HG LYS 9 2.736 -5.987 2.427 82 1HD LYS 9 1HD LYS 9 0.994 -5.891 4.331 83 2HD LYS 9 2HD LYS 9 -0.234 -5.571 3.114 84 1HE LYS 9 1HE LYS 9 -0.491 -7.850 3.544 85 2HE LYS 9 2HE LYS 9 0.372 -7.860 2.015 86 1HZ LYS 9 1HZ LYS 9 1.591 -8.286 4.714 87 2HZ LYS 9 2HZ LYS 9 1.296 -9.455 3.585 88 3HZ LYS 9 3HZ LYS 9 2.438 -8.297 3.296 89 H ARG 10 H ARG 10 4.058 -3.365 -0.728 90 HA ARG 10 HA ARG 10 3.535 -3.345 -2.981 91 1HB ARG 10 1HB ARG 10 0.930 -4.586 -1.979 92 2HB ARG 10 2HB ARG 10 1.275 -4.405 -3.683 93 1HG ARG 10 1HG ARG 10 3.381 -5.799 -3.433 94 2HG ARG 10 2HG ARG 10 2.922 -6.093 -1.765 95 1HD ARG 10 1HD ARG 10 2.221 -8.033 -2.936 96 2HD ARG 10 2HD ARG 10 0.725 -7.164 -2.618 97 HE ARG 10 HE ARG 10 2.171 -7.221 -5.335 98 1HH1 ARG 10 2HH1 ARG 10 -0.972 -6.759 -3.643 99 2HH1 ARG 10 1HH1 ARG 10 -1.794 -6.597 -5.275 100 1HH2 ARG 10 1HH2 ARG 10 1.100 -7.053 -7.064 101 2HH2 ARG 10 2HH2 ARG 10 -0.709 -6.751 -7.056 102 HA PRO 11 HA PRO 11 1.580 0.659 -3.935 103 1HB PRO 11 1HB PRO 11 -1.428 0.352 -4.094 104 2HB PRO 11 2HB PRO 11 -0.330 1.197 -5.204 105 1HG PRO 11 1HG PRO 11 -1.268 -1.237 -5.920 106 2HG PRO 11 2HG PRO 11 0.465 -0.865 -6.165 107 1HD PRO 11 1HD PRO 11 -0.790 -2.428 -3.847 108 2HD PRO 11 2HD PRO 11 0.588 -2.843 -4.883 109 H VAL 12 H VAL 12 -0.747 2.299 -2.921 110 HA VAL 12 HA VAL 12 0.754 3.132 -0.541 111 HB VAL 12 HB VAL 12 -1.762 4.411 -1.694 112 1HG1 VAL 12 1HG1 VAL 12 -1.308 5.191 0.662 113 2HG1 VAL 12 2HG1 VAL 12 0.314 5.738 0.207 114 3HG1 VAL 12 3HG1 VAL 12 -1.138 6.530 -0.484 115 1HG2 VAL 12 1HG2 VAL 12 0.114 4.419 -3.379 116 2HG2 VAL 12 2HG2 VAL 12 -0.296 6.071 -2.891 117 3HG2 VAL 12 3HG2 VAL 12 1.176 5.274 -2.250 118 H LYS 13 H LYS 13 0.434 2.076 1.354 119 HA LYS 13 HA LYS 13 -0.461 1.347 3.343 120 1HB LYS 13 1HB LYS 13 -2.867 3.095 2.747 121 2HB LYS 13 2HB LYS 13 -2.528 2.353 4.302 122 1HG LYS 13 1HG LYS 13 -0.452 3.713 4.584 123 2HG LYS 13 2HG LYS 13 -0.670 4.411 2.980 124 1HD LYS 13 1HD LYS 13 -2.914 5.418 3.770 125 2HD LYS 13 2HD LYS 13 -2.578 4.766 5.365 126 1HE LYS 13 1HE LYS 13 -1.985 7.038 5.523 127 2HE LYS 13 2HE LYS 13 -0.424 6.236 5.415 128 1HZ LYS 13 1HZ LYS 13 -1.852 7.595 3.167 129 2HZ LYS 13 2HZ LYS 13 -0.544 8.185 3.985 130 3HZ LYS 13 3HZ LYS 13 -0.385 6.849 3.026 131 H VAL 14 H VAL 14 -0.505 -0.799 2.403 132 HA VAL 14 HA VAL 14 -1.351 -2.932 2.576 133 HB VAL 14 HB VAL 14 -3.997 -1.939 3.657 134 1HG1 VAL 14 1HG1 VAL 14 -4.166 -4.287 2.795 135 2HG1 VAL 14 2HG1 VAL 14 -2.868 -4.807 3.889 136 3HG1 VAL 14 3HG1 VAL 14 -4.427 -4.219 4.545 137 1HG2 VAL 14 1HG2 VAL 14 -2.119 -1.267 5.169 138 2HG2 VAL 14 2HG2 VAL 14 -3.206 -2.418 5.960 139 3HG2 VAL 14 3HG2 VAL 14 -1.616 -2.960 5.340 140 H GLN 15 H GLN 15 -1.012 -2.919 0.261 141 HA GLN 15 HA GLN 15 -1.548 -3.616 -1.851 142 1HB GLN 15 1HB GLN 15 -4.237 -4.442 -0.647 143 2HB GLN 15 2HB GLN 15 -3.813 -4.790 -2.305 144 1HG GLN 15 1HG GLN 15 -1.907 -6.166 -1.641 145 2HG GLN 15 2HG GLN 15 -2.218 -5.824 0.066 146 1HE2 GLN 15 1HE2 GLN 15 -4.861 -8.313 0.205 147 2HE2 GLN 15 2HE2 GLN 15 -3.900 -7.014 1.076 148 HA PRO 16 HA PRO 16 -3.680 -0.025 -4.018 149 1HB PRO 16 1HB PRO 16 -6.559 -1.201 -3.871 150 2HB PRO 16 2HB PRO 16 -5.985 -0.070 -5.085 151 1HG PRO 16 1HG PRO 16 -5.921 -2.713 -5.639 152 2HG PRO 16 2HG PRO 16 -4.482 -1.726 -6.050 153 1HD PRO 16 1HD PRO 16 -4.789 -3.714 -3.858 154 2HD PRO 16 2HD PRO 16 -3.329 -3.113 -4.631 155 H ILE 17 H ILE 17 -5.515 1.831 -3.704 156 HA ILE 17 HA ILE 17 -4.044 2.945 -1.584 157 HB ILE 17 HB ILE 17 -6.225 4.245 -3.238 158 1HG1 ILE 17 1HG1 ILE 17 -3.166 4.632 -3.753 159 2HG1 ILE 17 2HG1 ILE 17 -4.010 3.279 -4.420 160 1HG2 ILE 17 1HG2 ILE 17 -5.777 5.660 -1.189 161 2HG2 ILE 17 2HG2 ILE 17 -4.049 5.752 -1.613 162 3HG2 ILE 17 3HG2 ILE 17 -5.273 6.511 -2.668 163 1HD1 ILE 17 1HD1 ILE 17 -5.521 4.696 -5.778 164 2HD1 ILE 17 2HD1 ILE 17 -4.697 6.156 -5.163 165 3HD1 ILE 17 3HD1 ILE 17 -3.794 4.967 -6.135 166 H ALA 18 H ALA 18 -4.465 2.858 0.545 167 HA ALA 18 HA ALA 18 -5.360 3.201 2.616 168 1HB ALA 18 1HB ALA 18 -6.133 5.353 1.903 169 2HB ALA 18 2HB ALA 18 -7.712 4.675 1.422 170 3HB ALA 18 3HB ALA 18 -7.213 4.647 3.135 171 H ARG 19 H ARG 19 -5.411 0.865 2.711 172 HA ARG 19 HA ARG 19 -6.226 -0.988 3.665 173 1HB ARG 19 1HB ARG 19 -7.326 0.565 5.274 174 2HB ARG 19 2HB ARG 19 -8.855 0.317 4.445 175 1HG ARG 19 1HG ARG 19 -8.778 -2.141 4.983 176 2HG ARG 19 2HG ARG 19 -7.199 -1.944 5.741 177 1HD ARG 19 1HD ARG 19 -8.197 -0.431 7.488 178 2HD ARG 19 2HD ARG 19 -9.793 -0.608 6.736 179 HE ARG 19 HE ARG 19 -9.854 -2.992 7.401 180 1HH1 ARG 19 2HH1 ARG 19 -6.962 -1.384 8.822 181 2HH1 ARG 19 1HH1 ARG 19 -6.816 -2.763 10.024 182 1HH2 ARG 19 1HH2 ARG 19 -9.551 -4.448 8.808 183 2HH2 ARG 19 2HH2 ARG 19 -8.169 -4.359 10.013 184 H ARG 20 H ARG 20 -6.005 -1.388 1.215 185 HA ARG 20 HA ARG 20 -6.402 -2.908 -0.390 186 1HB ARG 20 1HB ARG 20 -8.848 -3.977 1.067 187 2HB ARG 20 2HB ARG 20 -8.218 -4.621 -0.441 188 1HG ARG 20 1HG ARG 20 -6.041 -5.222 0.684 189 2HG ARG 20 2HG ARG 20 -6.635 -4.553 2.204 190 1HD ARG 20 1HD ARG 20 -8.496 -6.281 2.238 191 2HD ARG 20 2HD ARG 20 -7.888 -6.955 0.714 192 HE ARG 20 HE ARG 20 -5.609 -7.018 2.368 193 1HH1 ARG 20 2HH1 ARG 20 -8.902 -8.385 2.891 194 2HH1 ARG 20 1HH1 ARG 20 -8.166 -9.682 3.961 195 1HH2 ARG 20 1HH2 ARG 20 -4.954 -8.530 3.584 196 2HH2 ARG 20 2HH2 ARG 20 -6.107 -9.753 4.319 197 H VAL 21 H VAL 21 -9.933 -2.629 -0.668 198 HA VAL 21 HA VAL 21 -9.176 -1.614 -3.376 199 HB VAL 21 HB VAL 21 -11.936 -2.660 -2.520 200 1HG1 VAL 21 1HG1 VAL 21 -12.014 -1.316 -4.632 201 2HG1 VAL 21 2HG1 VAL 21 -10.827 -2.386 -5.399 202 3HG1 VAL 21 3HG1 VAL 21 -12.443 -3.005 -4.936 203 1HG2 VAL 21 1HG2 VAL 21 -10.201 -4.482 -2.253 204 2HG2 VAL 21 2HG2 VAL 21 -11.371 -4.889 -3.518 205 3HG2 VAL 21 3HG2 VAL 21 -9.729 -4.318 -3.954 206 H TYR 22 1H TYR 22 -8.989 2.748 -4.641 207 H TYR 22 2H TYR 22 -8.658 0.584 -2.636 208 HA TYR 22 HA TYR 22 -10.833 2.843 -2.277 209 1HB TYR 22 1HB TYR 22 -8.976 3.581 -1.235 210 2HB TYR 22 2HB TYR 22 -7.975 3.252 -2.621 211 HD1 TYR 22 HD1 TYR 22 -10.681 5.470 -1.361 212 HD2 TYR 22 HD2 TYR 22 -8.024 4.617 -4.632 213 HE1 TYR 22 HE1 TYR 22 -11.067 7.729 -2.279 214 HE2 TYR 22 HE2 TYR 22 -8.422 6.865 -5.539 215 HH TYR 22 HH TYR 22 -9.479 8.791 -5.270 No H/Q in entry = 215 Start of MODEL 6 1 H PRO 1 H PRO 1 11.566 -0.630 -1.738 2 HA PRO 1 HA PRO 1 9.839 1.222 -2.424 3 1HB PRO 1 1HB PRO 1 7.831 1.059 -0.589 4 2HB PRO 1 2HB PRO 1 7.797 0.159 -2.251 5 1HG PRO 1 1HG PRO 1 8.865 -0.941 0.459 6 2HG PRO 1 2HG PRO 1 7.437 -1.518 -0.633 7 1HD PRO 1 1HD PRO 1 10.067 -2.419 -0.599 8 2HD PRO 1 2HD PRO 1 9.139 -2.224 -2.182 9 H GLN 2 H GLN 2 8.668 2.898 -0.379 10 HA GLN 2 HA GLN 2 10.133 2.588 2.168 11 1HB GLN 2 1HB GLN 2 7.649 4.222 1.380 12 2HB GLN 2 2HB GLN 2 8.283 4.188 3.013 13 1HG GLN 2 1HG GLN 2 10.479 5.140 2.251 14 2HG GLN 2 2HG GLN 2 9.873 5.203 0.599 15 1HE2 GLN 2 1HE2 GLN 2 8.675 8.166 3.151 16 2HE2 GLN 2 2HE2 GLN 2 9.769 6.793 3.685 17 H ASN 3 H ASN 3 9.804 0.289 2.295 18 HA ASN 3 HA ASN 3 9.173 -1.422 3.710 19 1HB ASN 3 1HB ASN 3 8.427 0.360 5.394 20 2HB ASN 3 2HB ASN 3 6.784 0.038 4.889 21 1HD2 ASN 3 1HD2 ASN 3 8.638 -2.708 7.335 22 2HD2 ASN 3 2HD2 ASN 3 9.574 -1.341 6.547 23 H ALA 4 H ALA 4 8.550 -3.081 2.550 24 HA ALA 4 HA ALA 4 7.408 -4.659 1.388 25 1HB ALA 4 1HB ALA 4 6.069 -4.804 3.397 26 2HB ALA 4 2HB ALA 4 4.817 -3.774 2.650 27 3HB ALA 4 3HB ALA 4 5.225 -5.361 1.929 28 H LYS 5 H LYS 5 8.083 -3.682 -0.588 29 HA LYS 5 HA LYS 5 7.761 -3.586 -2.785 30 1HB LYS 5 1HB LYS 5 5.904 -5.102 -2.584 31 2HB LYS 5 2HB LYS 5 4.739 -3.805 -2.554 32 1HG LYS 5 1HG LYS 5 6.725 -4.336 -4.893 33 2HG LYS 5 2HG LYS 5 5.228 -5.238 -4.733 34 1HD LYS 5 1HD LYS 5 3.844 -3.190 -4.969 35 2HD LYS 5 2HD LYS 5 5.288 -2.186 -5.039 36 1HE LYS 5 1HE LYS 5 6.007 -3.284 -7.169 37 2HE LYS 5 2HE LYS 5 4.589 -4.352 -7.119 38 1HZ LYS 5 1HZ LYS 5 4.487 -1.379 -7.270 39 2HZ LYS 5 2HZ LYS 5 4.191 -2.422 -8.516 40 3HZ LYS 5 3HZ LYS 5 3.169 -2.373 -7.219 41 H LEU 6 H LEU 6 4.981 -1.288 -2.079 42 HA LEU 6 HA LEU 6 6.969 0.962 -2.831 43 1HB LEU 6 1HB LEU 6 3.992 0.764 -3.412 44 2HB LEU 6 2HB LEU 6 4.862 2.250 -3.535 45 HG LEU 6 HG LEU 6 5.851 -0.124 -5.236 46 1HD1 LEU 6 1HD1 LEU 6 3.401 0.002 -5.692 47 2HD1 LEU 6 2HD1 LEU 6 3.558 1.724 -6.109 48 3HD1 LEU 6 3HD1 LEU 6 4.343 0.466 -7.114 49 1HD2 LEU 6 1HD2 LEU 6 7.303 1.880 -5.166 50 2HD2 LEU 6 2HD2 LEU 6 6.698 1.559 -6.805 51 3HD2 LEU 6 3HD2 LEU 6 5.981 2.878 -5.823 52 H LYS 7 H LYS 7 3.879 1.942 -1.309 53 HA LYS 7 HA LYS 7 5.697 2.814 1.000 54 1HB LYS 7 1HB LYS 7 5.021 4.492 -0.791 55 2HB LYS 7 2HB LYS 7 3.338 4.260 -0.322 56 1HG LYS 7 1HG LYS 7 3.934 5.118 2.009 57 2HG LYS 7 2HG LYS 7 5.603 5.341 1.481 58 1HD LYS 7 1HD LYS 7 4.819 7.013 -0.272 59 2HD LYS 7 2HD LYS 7 3.151 6.787 0.261 60 1HE LYS 7 1HE LYS 7 3.760 7.677 2.556 61 2HE LYS 7 2HE LYS 7 5.436 7.904 2.020 62 1HZ LYS 7 1HZ LYS 7 4.614 9.426 0.297 63 2HZ LYS 7 2HZ LYS 7 3.054 9.215 0.796 64 3HZ LYS 7 3HZ LYS 7 4.150 9.941 1.797 65 H ILE 8 H ILE 8 5.166 0.944 2.165 66 HA ILE 8 HA ILE 8 4.334 0.004 3.999 67 HB ILE 8 HB ILE 8 3.770 2.252 5.024 68 1HG1 ILE 8 1HG1 ILE 8 2.416 -0.300 5.883 69 2HG1 ILE 8 2HG1 ILE 8 3.528 0.737 6.747 70 1HG2 ILE 8 1HG2 ILE 8 1.880 3.026 3.512 71 2HG2 ILE 8 2HG2 ILE 8 0.844 1.709 4.113 72 3HG2 ILE 8 3HG2 ILE 8 1.362 3.033 5.178 73 1HD1 ILE 8 1HD1 ILE 8 1.714 2.420 7.236 74 2HD1 ILE 8 2HD1 ILE 8 0.523 1.344 6.461 75 3HD1 ILE 8 3HD1 ILE 8 1.386 0.809 7.913 76 H LYS 9 H LYS 9 3.794 -1.805 2.824 77 HA LYS 9 HA LYS 9 2.570 -3.591 2.205 78 1HB LYS 9 1HB LYS 9 -0.048 -2.419 3.428 79 2HB LYS 9 2HB LYS 9 0.008 -3.868 2.529 80 1HG LYS 9 1HG LYS 9 1.932 -3.570 4.928 81 2HG LYS 9 2HG LYS 9 0.233 -3.927 5.170 82 1HD LYS 9 1HD LYS 9 0.333 -5.990 3.835 83 2HD LYS 9 2HD LYS 9 2.024 -5.712 3.435 84 1HE LYS 9 1HE LYS 9 2.638 -5.896 5.898 85 2HE LYS 9 2HE LYS 9 0.933 -6.185 6.294 86 1HZ LYS 9 1HZ LYS 9 2.588 -7.896 4.495 87 2HZ LYS 9 2HZ LYS 9 2.150 -8.265 6.045 88 3HZ LYS 9 3HZ LYS 9 1.000 -8.165 4.863 89 H ARG 10 H ARG 10 3.077 -3.387 0.071 90 HA ARG 10 HA ARG 10 2.618 -3.591 -2.111 91 1HB ARG 10 1HB ARG 10 0.174 -4.478 -0.931 92 2HB ARG 10 2HB ARG 10 -0.395 -3.316 -2.045 93 1HG ARG 10 1HG ARG 10 -0.474 -5.239 -3.341 94 2HG ARG 10 2HG ARG 10 1.056 -4.606 -3.898 95 1HD ARG 10 1HD ARG 10 0.589 -6.921 -1.915 96 2HD ARG 10 2HD ARG 10 1.134 -7.057 -3.578 97 HE ARG 10 HE ARG 10 3.391 -6.360 -2.922 98 1HH1 ARG 10 2HH1 ARG 10 1.253 -6.214 -0.022 99 2HH1 ARG 10 1HH1 ARG 10 2.740 -6.116 1.048 100 1HH2 ARG 10 1HH2 ARG 10 4.956 -6.279 -1.559 101 2HH2 ARG 10 2HH2 ARG 10 4.656 -6.150 0.247 102 HA PRO 11 HA PRO 11 1.352 0.959 -3.690 103 1HB PRO 11 1HB PRO 11 -1.515 -0.153 -3.270 104 2HB PRO 11 2HB PRO 11 -1.217 1.248 -4.238 105 1HG PRO 11 1HG PRO 11 -1.340 -1.086 -5.541 106 2HG PRO 11 2HG PRO 11 0.097 -0.074 -5.891 107 1HD PRO 11 1HD PRO 11 -0.081 -2.581 -4.265 108 2HD PRO 11 2HD PRO 11 1.348 -1.887 -5.088 109 H VAL 12 H VAL 12 -0.791 2.510 -2.508 110 HA VAL 12 HA VAL 12 0.906 3.506 -0.329 111 HB VAL 12 HB VAL 12 -1.731 4.659 -1.362 112 1HG1 VAL 12 1HG1 VAL 12 -0.996 5.709 0.819 113 2HG1 VAL 12 2HG1 VAL 12 0.544 6.214 0.106 114 3HG1 VAL 12 3HG1 VAL 12 -0.999 6.919 -0.473 115 1HG2 VAL 12 1HG2 VAL 12 -0.079 4.529 -3.271 116 2HG2 VAL 12 2HG2 VAL 12 -0.465 6.217 -2.906 117 3HG2 VAL 12 3HG2 VAL 12 1.096 5.508 -2.381 118 H LYS 13 H LYS 13 0.662 2.656 1.815 119 HA LYS 13 HA LYS 13 -0.281 2.400 3.891 120 1HB LYS 13 1HB LYS 13 -1.246 4.764 3.103 121 2HB LYS 13 2HB LYS 13 -2.825 3.947 3.020 122 1HG LYS 13 1HG LYS 13 -2.674 3.421 5.480 123 2HG LYS 13 2HG LYS 13 -1.072 4.153 5.576 124 1HD LYS 13 1HD LYS 13 -1.993 6.377 4.957 125 2HD LYS 13 2HD LYS 13 -3.604 5.741 4.723 126 1HE LYS 13 1HE LYS 13 -2.166 5.738 7.448 127 2HE LYS 13 2HE LYS 13 -3.209 7.028 6.860 128 1HZ LYS 13 1HZ LYS 13 -5.060 5.466 6.742 129 2HZ LYS 13 2HZ LYS 13 -4.115 4.229 7.294 130 3HZ LYS 13 3HZ LYS 13 -4.437 5.522 8.271 131 H VAL 14 H VAL 14 -0.565 0.101 3.730 132 HA VAL 14 HA VAL 14 -2.558 -1.910 4.363 133 HB VAL 14 HB VAL 14 -4.405 -1.664 2.772 134 1HG1 VAL 14 1HG1 VAL 14 -4.182 -2.005 5.845 135 2HG1 VAL 14 2HG1 VAL 14 -5.624 -2.360 4.861 136 3HG1 VAL 14 3HG1 VAL 14 -4.169 -3.315 4.640 137 1HG2 VAL 14 1HG2 VAL 14 -4.563 0.813 3.283 138 2HG2 VAL 14 2HG2 VAL 14 -5.882 -0.104 4.019 139 3HG2 VAL 14 3HG2 VAL 14 -4.524 0.459 5.027 140 H GLN 15 H GLN 15 -1.319 -2.365 1.975 141 HA GLN 15 HA GLN 15 -2.278 -4.079 0.042 142 1HB GLN 15 1HB GLN 15 -4.587 -3.827 0.868 143 2HB GLN 15 2HB GLN 15 -4.668 -2.388 -0.145 144 1HG GLN 15 1HG GLN 15 -3.733 -5.114 -1.294 145 2HG GLN 15 2HG GLN 15 -5.430 -4.717 -1.174 146 1HE2 GLN 15 1HE2 GLN 15 -5.087 -3.517 -4.491 147 2HE2 GLN 15 2HE2 GLN 15 -5.892 -4.679 -3.301 148 HA PRO 16 HA PRO 16 -3.397 -0.236 -3.038 149 1HB PRO 16 1HB PRO 16 -6.159 -1.630 -2.875 150 2HB PRO 16 2HB PRO 16 -5.641 -0.555 -4.140 151 1HG PRO 16 1HG PRO 16 -5.371 -3.230 -4.460 152 2HG PRO 16 2HG PRO 16 -4.004 -2.181 -4.947 153 1HD PRO 16 1HD PRO 16 -4.150 -4.019 -2.618 154 2HD PRO 16 2HD PRO 16 -2.753 -3.301 -3.406 155 H ILE 17 H ILE 17 -5.375 1.535 -2.845 156 HA ILE 17 HA ILE 17 -3.982 2.868 -0.818 157 HB ILE 17 HB ILE 17 -6.371 3.886 -2.354 158 1HG1 ILE 17 1HG1 ILE 17 -3.412 4.593 -3.078 159 2HG1 ILE 17 2HG1 ILE 17 -4.132 3.131 -3.655 160 1HG2 ILE 17 1HG2 ILE 17 -5.948 5.387 -0.364 161 2HG2 ILE 17 2HG2 ILE 17 -4.268 5.647 -0.897 162 3HG2 ILE 17 3HG2 ILE 17 -5.628 6.251 -1.885 163 1HD1 ILE 17 1HD1 ILE 17 -5.885 4.319 -4.938 164 2HD1 ILE 17 2HD1 ILE 17 -5.203 5.884 -4.415 165 3HD1 ILE 17 3HD1 ILE 17 -4.230 4.780 -5.420 166 H ALA 18 H ALA 18 -4.304 2.451 1.405 167 HA ALA 18 HA ALA 18 -5.549 3.160 3.621 168 1HB ALA 18 1HB ALA 18 -7.953 3.448 1.911 169 2HB ALA 18 2HB ALA 18 -7.977 3.259 3.680 170 3HB ALA 18 3HB ALA 18 -7.116 4.628 2.937 171 H ARG 19 H ARG 19 -5.371 0.555 3.627 172 HA ARG 19 HA ARG 19 -6.245 -1.343 4.727 173 1HB ARG 19 1HB ARG 19 -7.701 0.364 5.960 174 2HB ARG 19 2HB ARG 19 -8.995 -0.055 4.873 175 1HG ARG 19 1HG ARG 19 -9.577 -1.311 6.680 176 2HG ARG 19 2HG ARG 19 -8.768 -2.531 5.720 177 1HD ARG 19 1HD ARG 19 -7.438 -1.017 8.070 178 2HD ARG 19 2HD ARG 19 -8.350 -2.509 8.257 179 HE ARG 19 HE ARG 19 -6.334 -3.051 6.255 180 1HH1 ARG 19 2HH1 ARG 19 -6.345 -2.384 9.796 181 2HH1 ARG 19 1HH1 ARG 19 -4.783 -3.334 9.955 182 1HH2 ARG 19 1HH2 ARG 19 -4.595 -4.077 6.608 183 2HH2 ARG 19 2HH2 ARG 19 -3.875 -4.215 8.290 184 H ARG 20 H ARG 20 -5.711 -1.970 2.360 185 HA ARG 20 HA ARG 20 -5.892 -3.463 0.696 186 1HB ARG 20 1HB ARG 20 -8.370 -4.647 2.022 187 2HB ARG 20 2HB ARG 20 -7.650 -5.266 0.548 188 1HG ARG 20 1HG ARG 20 -5.479 -5.719 1.784 189 2HG ARG 20 2HG ARG 20 -6.217 -5.101 3.252 190 1HD ARG 20 1HD ARG 20 -6.371 -7.429 3.510 191 2HD ARG 20 2HD ARG 20 -8.010 -6.995 3.047 192 HE ARG 20 HE ARG 20 -6.283 -7.815 0.735 193 1HH1 ARG 20 2HH1 ARG 20 -8.526 -9.153 3.215 194 2HH1 ARG 20 1HH1 ARG 20 -8.768 -10.636 2.162 195 1HH2 ARG 20 1HH2 ARG 20 -6.662 -9.533 -0.316 196 2HH2 ARG 20 2HH2 ARG 20 -7.794 -10.829 0.322 197 H VAL 21 H VAL 21 -9.455 -3.317 0.318 198 HA VAL 21 HA VAL 21 -8.939 -2.091 -2.404 199 HB VAL 21 HB VAL 21 -11.454 -3.497 -1.399 200 1HG1 VAL 21 1HG1 VAL 21 -11.956 -1.940 -3.297 201 2HG1 VAL 21 2HG1 VAL 21 -10.774 -2.762 -4.330 202 3HG1 VAL 21 3HG1 VAL 21 -12.238 -3.625 -3.762 203 1HG2 VAL 21 1HG2 VAL 21 -9.509 -5.100 -1.572 204 2HG2 VAL 21 2HG2 VAL 21 -10.780 -5.508 -2.736 205 3HG2 VAL 21 3HG2 VAL 21 -9.284 -4.685 -3.280 206 H TYR 22 1H TYR 22 -9.425 2.009 -3.457 207 H TYR 22 2H TYR 22 -8.479 0.072 -1.634 208 HA TYR 22 HA TYR 22 -10.659 2.121 -0.648 209 1HB TYR 22 1HB TYR 22 -8.636 2.880 0.012 210 2HB TYR 22 2HB TYR 22 -8.032 2.830 -1.620 211 HD1 TYR 22 HD1 TYR 22 -8.923 4.356 -3.399 212 HD2 TYR 22 HD2 TYR 22 -10.308 4.594 0.664 213 HE1 TYR 22 HE1 TYR 22 -9.847 6.604 -3.834 214 HE2 TYR 22 HE2 TYR 22 -11.217 6.833 0.221 215 HH TYR 22 HH TYR 22 -11.503 8.432 -1.283 No H/Q in entry = 215 Start of MODEL 7 1 H PRO 1 H PRO 1 11.110 1.432 -2.624 2 HA PRO 1 HA PRO 1 10.991 3.700 -2.216 3 1HB PRO 1 1HB PRO 1 7.992 3.453 -2.876 4 2HB PRO 1 2HB PRO 1 8.985 4.931 -2.960 5 1HG PRO 1 1HG PRO 1 8.556 3.403 -5.194 6 2HG PRO 1 2HG PRO 1 10.163 4.125 -4.899 7 1HD PRO 1 1HD PRO 1 9.423 1.244 -4.753 8 2HD PRO 1 2HD PRO 1 11.021 1.999 -4.815 9 H GLN 2 H GLN 2 8.020 3.871 -0.572 10 HA GLN 2 HA GLN 2 9.590 3.660 1.950 11 1HB GLN 2 1HB GLN 2 8.140 5.696 1.194 12 2HB GLN 2 2HB GLN 2 6.744 4.684 1.527 13 1HG GLN 2 1HG GLN 2 6.994 6.098 3.416 14 2HG GLN 2 2HG GLN 2 7.557 4.537 3.984 15 1HE2 GLN 2 1HE2 GLN 2 10.907 5.839 4.585 16 2HE2 GLN 2 2HE2 GLN 2 9.845 4.349 4.450 17 H ASN 3 H ASN 3 9.720 1.352 1.835 18 HA ASN 3 HA ASN 3 9.487 -0.552 3.097 19 1HB ASN 3 1HB ASN 3 8.398 0.918 4.902 20 2HB ASN 3 2HB ASN 3 6.861 0.261 4.395 21 1HD2 ASN 3 1HD2 ASN 3 9.351 -2.135 6.635 22 2HD2 ASN 3 2HD2 ASN 3 9.934 -0.546 5.927 23 H ALA 4 H ALA 4 9.232 -2.185 1.787 24 HA ALA 4 HA ALA 4 8.419 -3.953 0.601 25 1HB ALA 4 1HB ALA 4 7.272 -4.491 2.668 26 2HB ALA 4 2HB ALA 4 5.771 -3.767 2.031 27 3HB ALA 4 3HB ALA 4 6.508 -5.179 1.213 28 H LYS 5 H LYS 5 8.720 -2.761 -1.327 29 HA LYS 5 HA LYS 5 8.279 -2.499 -3.490 30 1HB LYS 5 1HB LYS 5 6.637 -4.392 -3.392 31 2HB LYS 5 2HB LYS 5 5.362 -3.218 -3.243 32 1HG LYS 5 1HG LYS 5 5.230 -3.670 -5.504 33 2HG LYS 5 2HG LYS 5 6.151 -2.181 -5.507 34 1HD LYS 5 1HD LYS 5 8.295 -3.630 -5.746 35 2HD LYS 5 2HD LYS 5 7.258 -5.055 -5.828 36 1HE LYS 5 1HE LYS 5 6.147 -4.116 -7.922 37 2HE LYS 5 2HE LYS 5 7.203 -2.694 -7.828 38 1HZ LYS 5 1HZ LYS 5 9.129 -4.185 -8.029 39 2HZ LYS 5 2HZ LYS 5 8.147 -5.510 -8.115 40 3HZ LYS 5 3HZ LYS 5 8.111 -4.377 -9.316 41 H LEU 6 H LEU 6 5.095 -0.917 -2.701 42 HA LEU 6 HA LEU 6 6.435 1.637 -3.708 43 1HB LEU 6 1HB LEU 6 3.557 0.787 -3.849 44 2HB LEU 6 2HB LEU 6 4.110 2.371 -4.318 45 HG LEU 6 HG LEU 6 5.210 -0.137 -5.727 46 1HD1 LEU 6 1HD1 LEU 6 2.724 -0.211 -5.966 47 2HD1 LEU 6 2HD1 LEU 6 2.722 1.432 -6.646 48 3HD1 LEU 6 3HD1 LEU 6 3.499 0.085 -7.527 49 1HD2 LEU 6 1HD2 LEU 6 6.501 1.974 -6.135 50 2HD2 LEU 6 2HD2 LEU 6 5.776 1.355 -7.633 51 3HD2 LEU 6 3HD2 LEU 6 5.046 2.757 -6.794 52 H LYS 7 H LYS 7 3.408 1.794 -1.715 53 HA LYS 7 HA LYS 7 5.141 3.071 0.487 54 1HB LYS 7 1HB LYS 7 4.026 4.731 -1.097 55 2HB LYS 7 2HB LYS 7 2.460 4.104 -0.605 56 1HG LYS 7 1HG LYS 7 2.956 4.838 1.757 57 2HG LYS 7 2HG LYS 7 4.523 5.449 1.267 58 1HD LYS 7 1HD LYS 7 1.871 6.511 0.077 59 2HD LYS 7 2HD LYS 7 2.512 7.103 1.583 60 1HE LYS 7 1HE LYS 7 4.114 7.290 -1.040 61 2HE LYS 7 2HE LYS 7 2.954 8.516 -0.527 62 1HZ LYS 7 1HZ LYS 7 4.268 8.871 1.492 63 2HZ LYS 7 2HZ LYS 7 5.368 7.729 1.029 64 3HZ LYS 7 3HZ LYS 7 5.190 9.112 0.143 65 H ILE 8 H ILE 8 5.079 1.145 1.628 66 HA ILE 8 HA ILE 8 4.458 -0.116 3.464 67 HB ILE 8 HB ILE 8 1.945 1.516 3.827 68 1HG1 ILE 8 1HG1 ILE 8 2.238 -0.801 5.151 69 2HG1 ILE 8 2HG1 ILE 8 3.408 0.015 6.135 70 1HG2 ILE 8 1HG2 ILE 8 3.971 3.008 3.842 71 2HG2 ILE 8 2HG2 ILE 8 3.209 2.956 5.451 72 3HG2 ILE 8 3HG2 ILE 8 4.701 2.027 5.140 73 1HD1 ILE 8 1HD1 ILE 8 0.400 0.714 5.820 74 2HD1 ILE 8 2HD1 ILE 8 1.165 -0.111 7.207 75 3HD1 ILE 8 3HD1 ILE 8 1.524 1.607 6.882 76 H LYS 9 H LYS 9 4.388 -1.885 1.997 77 HA LYS 9 HA LYS 9 3.622 -3.915 1.294 78 1HB LYS 9 1HB LYS 9 1.407 -3.329 3.235 79 2HB LYS 9 2HB LYS 9 0.956 -4.498 2.055 80 1HG LYS 9 1HG LYS 9 3.512 -4.769 3.778 81 2HG LYS 9 2HG LYS 9 1.918 -5.233 4.359 82 1HD LYS 9 1HD LYS 9 1.646 -6.894 2.506 83 2HD LYS 9 2HD LYS 9 3.214 -6.445 1.838 84 1HE LYS 9 1HE LYS 9 4.353 -7.247 3.966 85 2HE LYS 9 2HE LYS 9 2.773 -7.701 4.634 86 1HZ LYS 9 1HZ LYS 9 3.955 -8.807 2.128 87 2HZ LYS 9 2HZ LYS 9 3.866 -9.588 3.581 88 3HZ LYS 9 3HZ LYS 9 2.484 -9.229 2.750 89 H ARG 10 H ARG 10 3.768 -3.396 -0.830 90 HA ARG 10 HA ARG 10 3.155 -3.083 -3.039 91 1HB ARG 10 1HB ARG 10 0.878 -4.755 -1.950 92 2HB ARG 10 2HB ARG 10 0.681 -4.216 -3.558 93 1HG ARG 10 1HG ARG 10 3.176 -5.780 -2.665 94 2HG ARG 10 2HG ARG 10 1.678 -6.554 -3.166 95 1HD ARG 10 1HD ARG 10 1.839 -5.451 -5.435 96 2HD ARG 10 2HD ARG 10 3.358 -4.711 -4.955 97 HE ARG 10 HE ARG 10 4.399 -7.028 -4.767 98 1HH1 ARG 10 2HH1 ARG 10 1.395 -6.880 -6.754 99 2HH1 ARG 10 1HH1 ARG 10 1.955 -8.370 -7.665 100 1HH2 ARG 10 1HH2 ARG 10 4.862 -8.682 -5.860 101 2HH2 ARG 10 2HH2 ARG 10 3.764 -9.306 -7.194 102 HA PRO 11 HA PRO 11 1.039 0.856 -3.702 103 1HB PRO 11 1HB PRO 11 -1.949 0.320 -3.845 104 2HB PRO 11 2HB PRO 11 -0.963 1.413 -4.838 105 1HG PRO 11 1HG PRO 11 -1.619 -0.994 -5.873 106 2HG PRO 11 2HG PRO 11 0.067 -0.417 -6.035 107 1HD PRO 11 1HD PRO 11 -1.043 -2.394 -3.978 108 2HD PRO 11 2HD PRO 11 0.437 -2.510 -4.971 109 H VAL 12 H VAL 12 -1.353 2.308 -2.467 110 HA VAL 12 HA VAL 12 0.329 3.036 -0.194 111 HB VAL 12 HB VAL 12 -2.326 4.303 -0.983 112 1HG1 VAL 12 1HG1 VAL 12 -1.668 4.919 1.373 113 2HG1 VAL 12 2HG1 VAL 12 -0.112 5.549 0.809 114 3HG1 VAL 12 3HG1 VAL 12 -1.642 6.344 0.321 115 1HG2 VAL 12 1HG2 VAL 12 -0.624 4.488 -2.831 116 2HG2 VAL 12 2HG2 VAL 12 -1.025 6.087 -2.184 117 3HG2 VAL 12 3HG2 VAL 12 0.521 5.292 -1.746 118 H LYS 13 H LYS 13 0.284 1.846 1.619 119 HA LYS 13 HA LYS 13 -0.305 0.876 3.608 120 1HB LYS 13 1HB LYS 13 -2.764 2.668 3.504 121 2HB LYS 13 2HB LYS 13 -2.321 1.700 4.901 122 1HG LYS 13 1HG LYS 13 -0.175 2.911 5.131 123 2HG LYS 13 2HG LYS 13 -0.513 3.901 3.732 124 1HD LYS 13 1HD LYS 13 -2.327 3.875 6.258 125 2HD LYS 13 2HD LYS 13 -0.877 4.847 6.144 126 1HE LYS 13 1HE LYS 13 -1.798 6.130 4.198 127 2HE LYS 13 2HE LYS 13 -3.279 5.158 4.247 128 1HZ LYS 13 1HZ LYS 13 -3.663 5.963 6.523 129 2HZ LYS 13 2HZ LYS 13 -2.283 6.870 6.479 130 3HZ LYS 13 3HZ LYS 13 -3.542 7.232 5.472 131 H VAL 14 H VAL 14 -0.401 -1.155 2.490 132 HA VAL 14 HA VAL 14 -1.035 -3.325 2.887 133 HB VAL 14 HB VAL 14 -3.587 -2.534 4.318 134 1HG1 VAL 14 1HG1 VAL 14 -3.650 -4.915 3.512 135 2HG1 VAL 14 2HG1 VAL 14 -2.158 -5.282 4.397 136 3HG1 VAL 14 3HG1 VAL 14 -3.650 -4.839 5.282 137 1HG2 VAL 14 1HG2 VAL 14 -1.569 -1.665 5.529 138 2HG2 VAL 14 2HG2 VAL 14 -2.407 -2.899 6.486 139 3HG2 VAL 14 3HG2 VAL 14 -0.889 -3.300 5.626 140 H GLN 15 H GLN 15 -1.033 -3.491 0.610 141 HA GLN 15 HA GLN 15 -1.752 -3.999 -1.452 142 1HB GLN 15 1HB GLN 15 -3.286 -5.674 0.148 143 2HB GLN 15 2HB GLN 15 -4.567 -4.836 -0.714 144 1HG GLN 15 1HG GLN 15 -3.402 -5.675 -2.911 145 2HG GLN 15 2HG GLN 15 -2.243 -6.499 -1.902 146 1HE2 GLN 15 1HE2 GLN 15 -4.561 -9.213 -1.236 147 2HE2 GLN 15 2HE2 GLN 15 -2.899 -8.485 -0.964 148 HA PRO 16 HA PRO 16 -4.001 -0.427 -3.242 149 1HB PRO 16 1HB PRO 16 -6.992 -0.936 -3.218 150 2HB PRO 16 2HB PRO 16 -5.945 -0.334 -4.509 151 1HG PRO 16 1HG PRO 16 -6.747 -2.918 -4.550 152 2HG PRO 16 2HG PRO 16 -5.053 -2.510 -4.958 153 1HD PRO 16 1HD PRO 16 -6.110 -3.535 -2.267 154 2HD PRO 16 2HD PRO 16 -4.740 -4.071 -3.216 155 H ILE 17 H ILE 17 -6.016 1.456 -2.711 156 HA ILE 17 HA ILE 17 -4.499 2.840 -0.726 157 HB ILE 17 HB ILE 17 -6.945 3.501 -2.403 158 1HG1 ILE 17 1HG1 ILE 17 -7.159 5.869 -2.002 159 2HG1 ILE 17 2HG1 ILE 17 -7.747 4.808 -0.765 160 1HG2 ILE 17 1HG2 ILE 17 -4.682 3.472 -3.511 161 2HG2 ILE 17 2HG2 ILE 17 -5.529 5.019 -3.707 162 3HG2 ILE 17 3HG2 ILE 17 -4.204 4.873 -2.520 163 1HD1 ILE 17 1HD1 ILE 17 -5.875 5.370 0.758 164 2HD1 ILE 17 2HD1 ILE 17 -5.200 6.477 -0.479 165 3HD1 ILE 17 3HD1 ILE 17 -6.805 6.809 0.245 166 H ALA 18 H ALA 18 -4.608 2.452 1.397 167 HA ALA 18 HA ALA 18 -5.254 2.636 3.569 168 1HB ALA 18 1HB ALA 18 -6.088 4.814 3.001 169 2HB ALA 18 2HB ALA 18 -7.719 4.156 2.699 170 3HB ALA 18 3HB ALA 18 -7.017 4.086 4.338 171 H ARG 19 H ARG 19 -5.294 0.267 3.483 172 HA ARG 19 HA ARG 19 -6.049 -1.731 4.346 173 1HB ARG 19 1HB ARG 19 -8.482 -0.308 5.504 174 2HB ARG 19 2HB ARG 19 -8.130 -2.012 5.736 175 1HG ARG 19 1HG ARG 19 -6.009 -1.477 6.909 176 2HG ARG 19 2HG ARG 19 -6.255 0.245 6.669 177 1HD ARG 19 1HD ARG 19 -8.248 -1.506 8.274 178 2HD ARG 19 2HD ARG 19 -6.829 -0.767 8.991 179 HE ARG 19 HE ARG 19 -9.271 0.719 8.014 180 1HH1 ARG 19 2HH1 ARG 19 -6.026 1.102 9.524 181 2HH1 ARG 19 1HH1 ARG 19 -6.487 2.805 10.029 182 1HH2 ARG 19 2HH2 ARG 19 -9.628 2.634 8.650 183 2HH2 ARG 19 1HH2 ARG 19 -8.368 3.600 9.571 184 H ARG 20 H ARG 20 -6.110 -1.735 1.801 185 HA ARG 20 HA ARG 20 -6.838 -3.003 0.031 186 1HB ARG 20 1HB ARG 20 -9.290 -4.013 1.517 187 2HB ARG 20 2HB ARG 20 -8.886 -4.395 -0.151 188 1HG ARG 20 1HG ARG 20 -6.728 -5.480 0.596 189 2HG ARG 20 2HG ARG 20 -7.113 -5.098 2.274 190 1HD ARG 20 1HD ARG 20 -9.183 -6.557 2.138 191 2HD ARG 20 2HD ARG 20 -8.797 -6.941 0.450 192 HE ARG 20 HE ARG 20 -6.437 -7.576 1.980 193 1HH1 ARG 20 2HH1 ARG 20 -9.792 -8.884 1.846 194 2HH1 ARG 20 1HH1 ARG 20 -9.155 -10.507 2.417 195 1HH2 ARG 20 1HH2 ARG 20 -5.895 -9.449 2.609 196 2HH2 ARG 20 2HH2 ARG 20 -7.123 -10.797 2.813 197 H VAL 21 H VAL 21 -10.083 -1.719 0.888 198 HA VAL 21 HA VAL 21 -10.415 -2.048 -1.875 199 HB VAL 21 HB VAL 21 -12.577 -1.050 0.037 200 1HG1 VAL 21 1HG1 VAL 21 -13.263 -0.805 -2.363 201 2HG1 VAL 21 2HG1 VAL 21 -13.000 -2.533 -2.649 202 3HG1 VAL 21 3HG1 VAL 21 -14.279 -1.984 -1.521 203 1HG2 VAL 21 1HG2 VAL 21 -11.580 -3.224 0.840 204 2HG2 VAL 21 2HG2 VAL 21 -13.279 -3.423 0.384 205 3HG2 VAL 21 3HG2 VAL 21 -11.976 -4.006 -0.700 206 H TYR 22 1H TYR 22 -11.616 1.638 -4.749 207 H TYR 22 2H TYR 22 -8.998 -0.445 -2.860 208 HA TYR 22 HA TYR 22 -9.950 2.389 -3.178 209 1HB TYR 22 1HB TYR 22 -7.573 1.743 -3.439 210 2HB TYR 22 2HB TYR 22 -7.938 0.716 -4.771 211 HD1 TYR 22 HD1 TYR 22 -8.399 4.427 -3.800 212 HD2 TYR 22 HD2 TYR 22 -7.437 1.640 -6.938 213 HE1 TYR 22 HE1 TYR 22 -7.867 6.262 -5.300 214 HE2 TYR 22 HE2 TYR 22 -6.939 3.502 -8.404 215 HH TYR 22 HH TYR 22 -7.214 6.865 -7.315 No H/Q in entry = 215 Start of MODEL 8 1 H PRO 1 H PRO 1 11.062 0.714 -1.448 2 HA PRO 1 HA PRO 1 11.167 3.572 -2.166 3 1HB PRO 1 1HB PRO 1 8.777 1.603 -2.242 4 2HB PRO 1 2HB PRO 1 8.747 3.214 -2.949 5 1HG PRO 1 1HG PRO 1 9.372 1.097 -4.528 6 2HG PRO 1 2HG PRO 1 10.341 2.590 -4.678 7 1HD PRO 1 1HD PRO 1 11.225 -0.024 -3.558 8 2HD PRO 1 2HD PRO 1 12.181 1.419 -4.009 9 H GLN 2 H GLN 2 8.424 3.286 -0.410 10 HA GLN 2 HA GLN 2 9.895 3.743 2.221 11 1HB GLN 2 1HB GLN 2 8.529 5.645 1.181 12 2HB GLN 2 2HB GLN 2 7.087 4.652 1.374 13 1HG GLN 2 1HG GLN 2 7.508 4.669 3.906 14 2HG GLN 2 2HG GLN 2 8.902 5.707 3.630 15 1HE2 GLN 2 1HE2 GLN 2 5.204 7.455 3.534 16 2HE2 GLN 2 2HE2 GLN 2 5.433 5.656 3.811 17 H ASN 3 H ASN 3 10.143 1.414 2.340 18 HA ASN 3 HA ASN 3 9.843 -0.444 3.616 19 1HB ASN 3 1HB ASN 3 8.744 1.125 5.304 20 2HB ASN 3 2HB ASN 3 7.199 0.491 4.783 21 1HD2 ASN 3 1HD2 ASN 3 9.543 -1.858 7.222 22 2HD2 ASN 3 2HD2 ASN 3 10.196 -0.325 6.454 23 H ALA 4 H ALA 4 9.617 -2.178 2.392 24 HA ALA 4 HA ALA 4 8.801 -3.992 1.274 25 1HB ALA 4 1HB ALA 4 7.716 -4.455 3.363 26 2HB ALA 4 2HB ALA 4 6.222 -3.651 2.811 27 3HB ALA 4 3HB ALA 4 6.804 -5.122 1.983 28 H LYS 5 H LYS 5 9.058 -2.961 -0.786 29 HA LYS 5 HA LYS 5 8.440 -2.974 -2.996 30 1HB LYS 5 1HB LYS 5 6.972 -4.802 -2.812 31 2HB LYS 5 2HB LYS 5 5.725 -3.832 -2.119 32 1HG LYS 5 1HG LYS 5 4.822 -4.102 -4.219 33 2HG LYS 5 2HG LYS 5 5.586 -2.539 -4.393 34 1HD LYS 5 1HD LYS 5 7.630 -3.940 -5.456 35 2HD LYS 5 2HD LYS 5 6.498 -5.282 -5.425 36 1HE LYS 5 1HE LYS 5 6.339 -4.486 -7.628 37 2HE LYS 5 2HE LYS 5 4.882 -3.826 -6.893 38 1HZ LYS 5 1HZ LYS 5 7.433 -2.337 -7.354 39 2HZ LYS 5 2HZ LYS 5 6.042 -2.179 -8.230 40 3HZ LYS 5 3HZ LYS 5 6.084 -1.690 -6.653 41 H LEU 6 H LEU 6 5.399 -1.172 -2.054 42 HA LEU 6 HA LEU 6 6.796 1.317 -3.188 43 1HB LEU 6 1HB LEU 6 3.901 0.494 -3.340 44 2HB LEU 6 2HB LEU 6 4.466 2.078 -3.793 45 HG LEU 6 HG LEU 6 5.460 -0.453 -5.250 46 1HD1 LEU 6 1HD1 LEU 6 2.977 -0.302 -5.507 47 2HD1 LEU 6 2HD1 LEU 6 3.116 1.369 -6.095 48 3HD1 LEU 6 3HD1 LEU 6 3.775 0.012 -7.054 49 1HD2 LEU 6 1HD2 LEU 6 6.922 1.577 -5.583 50 2HD2 LEU 6 2HD2 LEU 6 6.151 1.085 -7.107 51 3HD2 LEU 6 3HD2 LEU 6 5.534 2.499 -6.199 52 H LYS 7 H LYS 7 3.757 1.492 -1.244 53 HA LYS 7 HA LYS 7 5.407 3.008 0.871 54 1HB LYS 7 1HB LYS 7 2.817 3.910 -0.508 55 2HB LYS 7 2HB LYS 7 3.376 4.587 1.012 56 1HG LYS 7 1HG LYS 7 5.491 5.391 -0.051 57 2HG LYS 7 2HG LYS 7 4.989 4.708 -1.598 58 1HD LYS 7 1HD LYS 7 2.967 6.249 -1.626 59 2HD LYS 7 2HD LYS 7 3.467 6.933 -0.076 60 1HE LYS 7 1HE LYS 7 5.611 7.777 -1.136 61 2HE LYS 7 2HE LYS 7 5.109 7.090 -2.692 62 1HZ LYS 7 1HZ LYS 7 3.134 8.524 -2.619 63 2HZ LYS 7 2HZ LYS 7 3.602 9.164 -1.170 64 3HZ LYS 7 3HZ LYS 7 4.513 9.428 -2.522 65 H ILE 8 H ILE 8 5.361 1.202 2.158 66 HA ILE 8 HA ILE 8 4.765 0.134 4.078 67 HB ILE 8 HB ILE 8 2.147 1.623 4.359 68 1HG1 ILE 8 1HG1 ILE 8 2.776 -0.476 5.926 69 2HG1 ILE 8 2HG1 ILE 8 3.884 0.580 6.738 70 1HG2 ILE 8 1HG2 ILE 8 3.982 3.318 4.091 71 2HG2 ILE 8 2HG2 ILE 8 3.292 3.382 5.733 72 3HG2 ILE 8 3HG2 ILE 8 4.872 2.598 5.458 73 1HD1 ILE 8 1HD1 ILE 8 0.804 0.872 6.538 74 2HD1 ILE 8 2HD1 ILE 8 1.739 0.308 7.950 75 3HD1 ILE 8 3HD1 ILE 8 1.860 2.010 7.427 76 H LYS 9 H LYS 9 4.679 -1.808 2.882 77 HA LYS 9 HA LYS 9 3.895 -3.887 2.337 78 1HB LYS 9 1HB LYS 9 2.860 -4.087 4.424 79 2HB LYS 9 2HB LYS 9 1.487 -3.129 3.963 80 1HG LYS 9 1HG LYS 9 0.680 -5.311 4.228 81 2HG LYS 9 2HG LYS 9 0.634 -4.992 2.501 82 1HD LYS 9 1HD LYS 9 2.699 -6.331 2.177 83 2HD LYS 9 2HD LYS 9 2.829 -6.644 3.904 84 1HE LYS 9 1HE LYS 9 0.399 -7.567 2.205 85 2HE LYS 9 2HE LYS 9 1.866 -8.516 2.389 86 1HZ LYS 9 1HZ LYS 9 1.513 -8.581 4.790 87 2HZ LYS 9 2HZ LYS 9 0.131 -7.685 4.656 88 3HZ LYS 9 3HZ LYS 9 0.206 -9.194 3.988 89 H ARG 10 H ARG 10 4.123 -3.485 0.191 90 HA ARG 10 HA ARG 10 3.654 -3.291 -2.006 91 1HB ARG 10 1HB ARG 10 2.046 -5.403 -1.018 92 2HB ARG 10 2HB ARG 10 0.896 -4.477 -1.949 93 1HG ARG 10 1HG ARG 10 2.454 -4.631 -3.977 94 2HG ARG 10 2HG ARG 10 3.596 -5.534 -2.987 95 1HD ARG 10 1HD ARG 10 1.890 -7.385 -2.708 96 2HD ARG 10 2HD ARG 10 0.752 -6.474 -3.718 97 HE ARG 10 HE ARG 10 3.534 -7.241 -4.783 98 1HH1 ARG 10 2HH1 ARG 10 -0.018 -7.328 -5.384 99 2HH1 ARG 10 1HH1 ARG 10 0.310 -7.975 -7.069 100 1HH2 ARG 10 1HH2 ARG 10 3.722 -7.980 -6.675 101 2HH2 ARG 10 2HH2 ARG 10 2.265 -8.314 -7.739 102 HA PRO 11 HA PRO 11 1.248 0.441 -3.301 103 1HB PRO 11 1HB PRO 11 -1.576 -0.768 -3.041 104 2HB PRO 11 2HB PRO 11 -1.189 0.564 -4.093 105 1HG PRO 11 1HG PRO 11 -1.207 -1.889 -5.174 106 2HG PRO 11 2HG PRO 11 0.268 -0.921 -5.481 107 1HD PRO 11 1HD PRO 11 -0.131 -3.184 -3.491 108 2HD PRO 11 2HD PRO 11 1.319 -2.763 -4.447 109 H VAL 12 H VAL 12 -0.991 1.976 -2.188 110 HA VAL 12 HA VAL 12 0.690 2.882 0.044 111 HB VAL 12 HB VAL 12 -1.883 4.159 -0.974 112 1HG1 VAL 12 1HG1 VAL 12 -1.229 5.044 1.292 113 2HG1 VAL 12 2HG1 VAL 12 0.355 5.548 0.679 114 3HG1 VAL 12 3HG1 VAL 12 -1.142 6.322 0.071 115 1HG2 VAL 12 1HG2 VAL 12 -0.157 4.057 -2.810 116 2HG2 VAL 12 2HG2 VAL 12 -0.509 5.735 -2.370 117 3HG2 VAL 12 3HG2 VAL 12 1.005 4.952 -1.816 118 H LYS 13 H LYS 13 0.505 1.762 1.960 119 HA LYS 13 HA LYS 13 -0.195 1.401 4.063 120 1HB LYS 13 1HB LYS 13 -1.225 3.721 3.783 121 2HB LYS 13 2HB LYS 13 -2.780 2.937 3.596 122 1HG LYS 13 1HG LYS 13 -2.408 1.903 5.940 123 2HG LYS 13 2HG LYS 13 -0.978 2.905 6.109 124 1HD LYS 13 1HD LYS 13 -3.813 4.032 5.628 125 2HD LYS 13 2HD LYS 13 -3.193 3.678 7.217 126 1HE LYS 13 1HE LYS 13 -1.872 5.749 5.357 127 2HE LYS 13 2HE LYS 13 -3.158 6.132 6.497 128 1HZ LYS 13 1HZ LYS 13 -1.730 5.377 8.321 129 2HZ LYS 13 2HZ LYS 13 -0.508 5.013 7.271 130 3HZ LYS 13 3HZ LYS 13 -0.995 6.580 7.459 131 H VAL 14 H VAL 14 -0.217 -0.855 3.241 132 HA VAL 14 HA VAL 14 -0.942 -3.002 3.739 133 HB VAL 14 HB VAL 14 -3.644 -2.096 4.807 134 1HG1 VAL 14 1HG1 VAL 14 -3.627 -4.512 4.129 135 2HG1 VAL 14 2HG1 VAL 14 -2.275 -4.840 5.229 136 3HG1 VAL 14 3HG1 VAL 14 -3.867 -4.334 5.875 137 1HG2 VAL 14 1HG2 VAL 14 -1.794 -1.166 6.227 138 2HG2 VAL 14 2HG2 VAL 14 -2.772 -2.337 7.127 139 3HG2 VAL 14 3HG2 VAL 14 -1.155 -2.797 6.509 140 H GLN 15 H GLN 15 -0.703 -3.296 1.453 141 HA GLN 15 HA GLN 15 -1.299 -3.877 -0.717 142 1HB GLN 15 1HB GLN 15 -3.911 -4.619 0.717 143 2HB GLN 15 2HB GLN 15 -3.795 -4.877 -0.993 144 1HG GLN 15 1HG GLN 15 -1.833 -6.386 -0.709 145 2HG GLN 15 2HG GLN 15 -1.925 -6.151 1.041 146 1HE2 GLN 15 1HE2 GLN 15 -4.561 -8.788 -0.650 147 2HE2 GLN 15 2HE2 GLN 15 -3.350 -7.837 -1.649 148 HA PRO 16 HA PRO 16 -3.592 -0.277 -2.989 149 1HB PRO 16 1HB PRO 16 -6.457 -1.371 -2.727 150 2HB PRO 16 2HB PRO 16 -5.622 -0.796 -4.153 151 1HG PRO 16 1HG PRO 16 -5.864 -3.535 -3.029 152 2HG PRO 16 2HG PRO 16 -5.284 -3.080 -4.661 153 1HD PRO 16 1HD PRO 16 -3.391 -4.060 -2.918 154 2HD PRO 16 2HD PRO 16 -3.084 -2.657 -3.883 155 H ILE 17 H ILE 17 -5.662 1.392 -2.600 156 HA ILE 17 HA ILE 17 -4.186 2.707 -0.536 157 HB ILE 17 HB ILE 17 -6.514 3.709 -2.247 158 1HG1 ILE 17 1HG1 ILE 17 -3.527 4.535 -2.553 159 2HG1 ILE 17 2HG1 ILE 17 -4.149 3.100 -3.302 160 1HG2 ILE 17 1HG2 ILE 17 -6.424 5.123 -0.149 161 2HG2 ILE 17 2HG2 ILE 17 -4.715 5.507 -0.474 162 3HG2 ILE 17 3HG2 ILE 17 -5.988 6.067 -1.594 163 1HD1 ILE 17 1HD1 ILE 17 -5.742 4.357 -4.723 164 2HD1 ILE 17 2HD1 ILE 17 -5.152 5.890 -4.023 165 3HD1 ILE 17 3HD1 ILE 17 -4.046 4.857 -4.962 166 H ALA 18 H ALA 18 -4.514 2.647 1.606 167 HA ALA 18 HA ALA 18 -5.384 2.881 3.699 168 1HB ALA 18 1HB ALA 18 -6.180 4.987 2.871 169 2HB ALA 18 2HB ALA 18 -7.761 4.273 2.453 170 3HB ALA 18 3HB ALA 18 -7.239 4.348 4.157 171 H ARG 19 H ARG 19 -5.398 0.518 3.872 172 HA ARG 19 HA ARG 19 -6.238 -1.360 4.893 173 1HB ARG 19 1HB ARG 19 -8.784 0.146 5.624 174 2HB ARG 19 2HB ARG 19 -8.439 -1.512 6.088 175 1HG ARG 19 1HG ARG 19 -6.399 -0.766 7.335 176 2HG ARG 19 2HG ARG 19 -6.715 0.908 6.911 177 1HD ARG 19 1HD ARG 19 -8.711 -0.807 8.545 178 2HD ARG 19 2HD ARG 19 -7.393 0.093 9.272 179 HE ARG 19 HE ARG 19 -9.848 1.313 7.998 180 1HH1 ARG 19 2HH1 ARG 19 -6.748 2.053 9.671 181 2HH1 ARG 19 1HH1 ARG 19 -7.345 3.761 9.972 182 1HH2 ARG 19 1HH2 ARG 19 -10.363 3.251 8.415 183 2HH2 ARG 19 2HH2 ARG 19 -9.233 4.382 9.315 184 H ARG 20 H ARG 20 -6.012 -1.762 2.457 185 HA ARG 20 HA ARG 20 -6.423 -3.274 0.854 186 1HB ARG 20 1HB ARG 20 -7.494 -4.787 2.544 187 2HB ARG 20 2HB ARG 20 -9.047 -4.178 2.043 188 1HG ARG 20 1HG ARG 20 -8.955 -6.165 0.872 189 2HG ARG 20 2HG ARG 20 -8.522 -4.998 -0.367 190 1HD ARG 20 1HD ARG 20 -6.074 -5.621 -0.058 191 2HD ARG 20 2HD ARG 20 -6.536 -6.789 1.188 192 HE ARG 20 HE ARG 20 -7.181 -7.002 -1.785 193 1HH1 ARG 20 1HH1 ARG 20 -7.619 -10.279 0.502 194 2HH1 ARG 20 2HH1 ARG 20 -7.258 -8.711 1.383 195 1HH2 ARG 20 1HH2 ARG 20 -7.587 -8.831 -2.612 196 2HH2 ARG 20 2HH2 ARG 20 -7.790 -10.337 -1.583 197 H VAL 21 H VAL 21 -9.917 -2.679 0.390 198 HA VAL 21 HA VAL 21 -8.911 -1.677 -2.242 199 HB VAL 21 HB VAL 21 -11.211 -2.044 -3.164 200 1HG1 VAL 21 1HG1 VAL 21 -9.431 -3.807 -3.345 201 2HG1 VAL 21 2HG1 VAL 21 -10.106 -4.620 -1.913 202 3HG1 VAL 21 3HG1 VAL 21 -11.077 -4.466 -3.402 203 1HG2 VAL 21 1HG2 VAL 21 -12.651 -1.824 -1.150 204 2HG2 VAL 21 2HG2 VAL 21 -13.000 -3.292 -2.087 205 3HG2 VAL 21 3HG2 VAL 21 -12.076 -3.400 -0.559 206 H TYR 22 1H TYR 22 -7.726 2.735 -3.898 207 H TYR 22 2H TYR 22 -8.382 0.375 -1.036 208 HA TYR 22 HA TYR 22 -9.949 2.033 -3.044 209 1HB TYR 22 1HB TYR 22 -8.384 3.629 -1.035 210 2HB TYR 22 2HB TYR 22 -9.119 4.157 -2.501 211 HD1 TYR 22 HD1 TYR 22 -11.620 4.461 -2.667 212 HD2 TYR 22 HD2 TYR 22 -9.850 2.970 0.972 213 HE1 TYR 22 HE1 TYR 22 -13.687 4.871 -1.461 214 HE2 TYR 22 HE2 TYR 22 -11.937 3.398 2.130 215 HH TYR 22 HH TYR 22 -14.006 4.137 1.994 No H/Q in entry = 215 Start of MODEL 9 1 H PRO 1 H PRO 1 11.399 2.563 -3.595 2 HA PRO 1 HA PRO 1 9.105 1.883 -2.532 3 1HB PRO 1 1HB PRO 1 9.682 0.002 -0.653 4 2HB PRO 1 2HB PRO 1 9.224 -0.425 -2.436 5 1HG PRO 1 1HG PRO 1 12.084 0.008 -1.285 6 2HG PRO 1 2HG PRO 1 11.276 -1.519 -2.048 7 1HD PRO 1 1HD PRO 1 12.843 0.415 -3.287 8 2HD PRO 1 2HD PRO 1 11.371 -0.311 -4.128 9 H GLN 2 H GLN 2 8.751 3.536 -0.874 10 HA GLN 2 HA GLN 2 10.094 3.250 1.696 11 1HB GLN 2 1HB GLN 2 7.382 4.486 0.920 12 2HB GLN 2 2HB GLN 2 8.022 4.511 2.553 13 1HG GLN 2 1HG GLN 2 10.010 5.836 1.813 14 2HG GLN 2 2HG GLN 2 9.410 5.837 0.156 15 1HE2 GLN 2 1HE2 GLN 2 7.051 8.506 0.877 16 2HE2 GLN 2 2HE2 GLN 2 7.724 7.316 -0.347 17 H ASN 3 H ASN 3 10.101 0.928 1.668 18 HA ASN 3 HA ASN 3 9.670 -1.011 2.894 19 1HB ASN 3 1HB ASN 3 7.104 0.160 4.045 20 2HB ASN 3 2HB ASN 3 7.762 -1.418 4.440 21 1HD2 ASN 3 1HD2 ASN 3 9.492 1.838 6.223 22 2HD2 ASN 3 2HD2 ASN 3 8.226 2.022 4.908 23 H ALA 4 H ALA 4 9.420 -2.535 1.424 24 HA ALA 4 HA ALA 4 8.526 -4.181 0.116 25 1HB ALA 4 1HB ALA 4 7.303 -4.786 2.075 26 2HB ALA 4 2HB ALA 4 5.898 -3.823 1.549 27 3HB ALA 4 3HB ALA 4 6.430 -5.234 0.586 28 H LYS 5 H LYS 5 8.971 -2.963 -1.776 29 HA LYS 5 HA LYS 5 8.606 -2.641 -3.927 30 1HB LYS 5 1HB LYS 5 5.912 -3.860 -3.458 31 2HB LYS 5 2HB LYS 5 5.852 -2.664 -4.712 32 1HG LYS 5 1HG LYS 5 7.825 -3.840 -5.898 33 2HG LYS 5 2HG LYS 5 7.677 -5.118 -4.708 34 1HD LYS 5 1HD LYS 5 6.564 -5.932 -6.585 35 2HD LYS 5 2HD LYS 5 5.259 -5.511 -5.497 36 1HE LYS 5 1HE LYS 5 6.167 -3.691 -7.844 37 2HE LYS 5 2HE LYS 5 4.982 -4.988 -8.041 38 1HZ LYS 5 1HZ LYS 5 3.568 -3.899 -6.388 39 2HZ LYS 5 2HZ LYS 5 4.664 -2.679 -6.192 40 3HZ LYS 5 3HZ LYS 5 3.898 -2.875 -7.642 41 H LEU 6 H LEU 6 5.551 -0.871 -3.012 42 HA LEU 6 HA LEU 6 6.953 1.554 -4.230 43 1HB LEU 6 1HB LEU 6 4.011 1.019 -4.352 44 2HB LEU 6 2HB LEU 6 4.870 2.338 -5.108 45 HG LEU 6 HG LEU 6 5.200 -0.603 -6.000 46 1HD1 LEU 6 1HD1 LEU 6 2.875 0.189 -6.428 47 2HD1 LEU 6 2HD1 LEU 6 3.492 1.603 -7.315 48 3HD1 LEU 6 3HD1 LEU 6 3.740 -0.048 -7.951 49 1HD2 LEU 6 1HD2 LEU 6 7.193 0.828 -6.615 50 2HD2 LEU 6 2HD2 LEU 6 6.321 0.281 -8.059 51 3HD2 LEU 6 3HD2 LEU 6 6.136 1.963 -7.480 52 H LYS 7 H LYS 7 3.930 1.791 -2.281 53 HA LYS 7 HA LYS 7 5.581 3.123 -0.064 54 1HB LYS 7 1HB LYS 7 3.081 4.304 -1.405 55 2HB LYS 7 2HB LYS 7 3.641 4.796 0.185 56 1HG LYS 7 1HG LYS 7 5.820 5.585 -0.752 57 2HG LYS 7 2HG LYS 7 5.323 5.079 -2.368 58 1HD LYS 7 1HD LYS 7 3.382 6.724 -2.288 59 2HD LYS 7 2HD LYS 7 3.884 7.233 -0.672 60 1HE LYS 7 1HE LYS 7 6.093 8.052 -1.615 61 2HE LYS 7 2HE LYS 7 5.587 7.540 -3.235 62 1HZ LYS 7 1HZ LYS 7 4.162 9.545 -1.549 63 2HZ LYS 7 2HZ LYS 7 5.114 9.882 -2.856 64 3HZ LYS 7 3HZ LYS 7 3.691 9.068 -3.059 65 H ILE 8 H ILE 8 5.370 1.276 1.179 66 HA ILE 8 HA ILE 8 4.541 0.056 2.920 67 HB ILE 8 HB ILE 8 2.028 1.730 3.019 68 1HG1 ILE 8 1HG1 ILE 8 4.477 2.356 4.835 69 2HG1 ILE 8 2HG1 ILE 8 4.368 3.038 3.247 70 1HG2 ILE 8 1HG2 ILE 8 1.861 -0.376 4.387 71 2HG2 ILE 8 2HG2 ILE 8 3.310 0.095 5.313 72 3HG2 ILE 8 3HG2 ILE 8 1.817 1.066 5.430 73 1HD1 ILE 8 1HD1 ILE 8 2.269 4.252 3.748 74 2HD1 ILE 8 2HD1 ILE 8 2.303 3.620 5.416 75 3HD1 ILE 8 3HD1 ILE 8 3.608 4.693 4.841 76 H LYS 9 H LYS 9 4.549 -1.753 1.488 77 HA LYS 9 HA LYS 9 3.759 -3.802 0.838 78 1HB LYS 9 1HB LYS 9 1.016 -3.259 1.975 79 2HB LYS 9 2HB LYS 9 1.551 -4.777 1.280 80 1HG LYS 9 1HG LYS 9 3.282 -5.025 3.095 81 2HG LYS 9 2HG LYS 9 2.741 -3.510 3.820 82 1HD LYS 9 1HD LYS 9 0.433 -4.485 4.151 83 2HD LYS 9 2HD LYS 9 0.936 -6.000 3.428 84 1HE LYS 9 1HE LYS 9 2.266 -4.853 5.991 85 2HE LYS 9 2HE LYS 9 0.818 -5.848 6.009 86 1HZ LYS 9 1HZ LYS 9 2.050 -7.647 4.942 87 2HZ LYS 9 2HZ LYS 9 3.430 -6.739 4.902 88 3HZ LYS 9 3HZ LYS 9 2.780 -7.192 6.352 89 H ARG 10 H ARG 10 4.058 -3.404 -1.300 90 HA ARG 10 HA ARG 10 3.568 -3.422 -3.571 91 1HB ARG 10 1HB ARG 10 0.976 -4.620 -2.470 92 2HB ARG 10 2HB ARG 10 1.239 -4.486 -4.189 93 1HG ARG 10 1HG ARG 10 3.399 -5.856 -3.949 94 2HG ARG 10 2HG ARG 10 2.943 -6.133 -2.279 95 1HD ARG 10 1HD ARG 10 2.249 -8.091 -3.424 96 2HD ARG 10 2HD ARG 10 0.747 -7.223 -3.126 97 HE ARG 10 HE ARG 10 2.211 -7.296 -5.834 98 1HH1 ARG 10 2HH1 ARG 10 -0.944 -6.847 -4.169 99 2HH1 ARG 10 1HH1 ARG 10 -1.754 -6.693 -5.809 100 1HH2 ARG 10 1HH2 ARG 10 1.163 -7.143 -7.567 101 2HH2 ARG 10 2HH2 ARG 10 -0.648 -6.848 -7.583 102 HA PRO 11 HA PRO 11 1.548 0.567 -4.631 103 1HB PRO 11 1HB PRO 11 -1.459 0.232 -4.668 104 2HB PRO 11 2HB PRO 11 -0.413 1.064 -5.836 105 1HG PRO 11 1HG PRO 11 -1.354 -1.393 -6.466 106 2HG PRO 11 2HG PRO 11 0.364 -1.011 -6.786 107 1HD PRO 11 1HD PRO 11 -0.787 -2.534 -4.386 108 2HD PRO 11 2HD PRO 11 0.559 -2.962 -5.468 109 H VAL 12 H VAL 12 -0.776 2.190 -3.541 110 HA VAL 12 HA VAL 12 0.847 3.095 -1.260 111 HB VAL 12 HB VAL 12 -1.764 4.328 -2.252 112 1HG1 VAL 12 1HG1 VAL 12 -1.106 5.163 0.034 113 2HG1 VAL 12 2HG1 VAL 12 0.453 5.733 -0.584 114 3HG1 VAL 12 3HG1 VAL 12 -1.075 6.480 -1.147 115 1HG2 VAL 12 1HG2 VAL 12 -0.065 4.338 -4.112 116 2HG2 VAL 12 2HG2 VAL 12 -0.463 5.989 -3.614 117 3HG2 VAL 12 3HG2 VAL 12 1.084 5.238 -3.107 118 H LYS 13 H LYS 13 0.599 2.108 0.698 119 HA LYS 13 HA LYS 13 -0.288 1.486 2.752 120 1HB LYS 13 1HB LYS 13 -2.754 3.228 2.117 121 2HB LYS 13 2HB LYS 13 -2.295 2.560 3.675 122 1HG LYS 13 1HG LYS 13 -0.200 3.853 3.759 123 2HG LYS 13 2HG LYS 13 -0.507 4.562 2.187 124 1HD LYS 13 1HD LYS 13 -2.425 4.944 4.586 125 2HD LYS 13 2HD LYS 13 -1.009 5.932 4.372 126 1HE LYS 13 1HE LYS 13 -3.212 5.786 2.226 127 2HE LYS 13 2HE LYS 13 -3.265 6.906 3.587 128 1HZ LYS 13 1HZ LYS 13 -1.167 7.881 2.827 129 2HZ LYS 13 2HZ LYS 13 -1.101 6.843 1.543 130 3HZ LYS 13 3HZ LYS 13 -2.315 7.960 1.641 131 H VAL 14 H VAL 14 -0.356 -0.688 1.919 132 HA VAL 14 HA VAL 14 -1.178 -2.818 2.226 133 HB VAL 14 HB VAL 14 -3.796 -1.836 3.372 134 1HG1 VAL 14 1HG1 VAL 14 -3.939 -4.216 2.614 135 2HG1 VAL 14 2HG1 VAL 14 -2.582 -4.657 3.669 136 3HG1 VAL 14 3HG1 VAL 14 -4.126 -4.078 4.369 137 1HG2 VAL 14 1HG2 VAL 14 -1.869 -1.047 4.765 138 2HG2 VAL 14 2HG2 VAL 14 -2.891 -2.189 5.651 139 3HG2 VAL 14 3HG2 VAL 14 -1.316 -2.719 4.982 140 H GLN 15 H GLN 15 -0.905 -2.928 -0.088 141 HA GLN 15 HA GLN 15 -1.488 -3.847 -2.053 142 1HB GLN 15 1HB GLN 15 -4.338 -4.345 -1.154 143 2HB GLN 15 2HB GLN 15 -3.576 -5.021 -2.573 144 1HG GLN 15 1HG GLN 15 -2.741 -5.671 0.282 145 2HG GLN 15 2HG GLN 15 -3.903 -6.588 -0.661 146 1HE2 GLN 15 1HE2 GLN 15 -1.309 -8.300 -2.547 147 2HE2 GLN 15 2HE2 GLN 15 -3.101 -7.953 -2.358 148 HA PRO 16 HA PRO 16 -3.672 -0.180 -4.311 149 1HB PRO 16 1HB PRO 16 -6.529 -1.376 -4.101 150 2HB PRO 16 2HB PRO 16 -5.977 -0.255 -5.332 151 1HG PRO 16 1HG PRO 16 -5.930 -2.899 -5.871 152 2HG PRO 16 2HG PRO 16 -4.481 -1.935 -6.292 153 1HD PRO 16 1HD PRO 16 -4.832 -3.864 -4.007 154 2HD PRO 16 2HD PRO 16 -3.371 -3.397 -4.884 155 H ILE 17 H ILE 17 -5.600 1.638 -3.875 156 HA ILE 17 HA ILE 17 -3.956 2.740 -1.842 157 HB ILE 17 HB ILE 17 -6.163 4.138 -3.354 158 1HG1 ILE 17 1HG1 ILE 17 -3.130 4.358 -4.056 159 2HG1 ILE 17 2HG1 ILE 17 -4.100 3.079 -4.701 160 1HG2 ILE 17 1HG2 ILE 17 -5.513 5.473 -1.308 161 2HG2 ILE 17 2HG2 ILE 17 -3.812 5.479 -1.839 162 3HG2 ILE 17 3HG2 ILE 17 -5.055 6.329 -2.798 163 1HD1 ILE 17 1HD1 ILE 17 -5.595 4.628 -5.926 164 2HD1 ILE 17 2HD1 ILE 17 -4.641 6.014 -5.327 165 3HD1 ILE 17 3HD1 ILE 17 -3.880 4.799 -6.383 166 H ALA 18 H ALA 18 -4.338 2.286 0.346 167 HA ALA 18 HA ALA 18 -5.540 3.094 2.587 168 1HB ALA 18 1HB ALA 18 -7.891 3.616 0.854 169 2HB ALA 18 2HB ALA 18 -7.956 3.379 2.616 170 3HB ALA 18 3HB ALA 18 -6.983 4.700 1.925 171 H ARG 19 H ARG 19 -5.510 0.522 2.229 172 HA ARG 19 HA ARG 19 -6.356 -1.506 3.073 173 1HB ARG 19 1HB ARG 19 -7.395 -0.056 4.828 174 2HB ARG 19 2HB ARG 19 -8.933 -0.173 3.986 175 1HG ARG 19 1HG ARG 19 -8.938 -2.676 4.311 176 2HG ARG 19 2HG ARG 19 -7.359 -2.591 5.091 177 1HD ARG 19 1HD ARG 19 -8.326 -1.201 6.954 178 2HD ARG 19 2HD ARG 19 -9.923 -1.255 6.179 179 HE ARG 19 HE ARG 19 -9.142 -3.991 6.429 180 1HH1 ARG 19 2HH1 ARG 19 -9.707 -1.378 8.845 181 2HH1 ARG 19 1HH1 ARG 19 -10.150 -2.655 10.086 182 1HH2 ARG 19 1HH2 ARG 19 -9.663 -5.284 7.931 183 2HH2 ARG 19 2HH2 ARG 19 -10.125 -4.690 9.605 184 H ARG 20 H ARG 20 -6.187 -1.636 0.600 185 HA ARG 20 HA ARG 20 -6.644 -2.919 -1.194 186 1HB ARG 20 1HB ARG 20 -9.021 -4.179 0.243 187 2HB ARG 20 2HB ARG 20 -8.501 -4.613 -1.376 188 1HG ARG 20 1HG ARG 20 -6.247 -5.344 -0.475 189 2HG ARG 20 2HG ARG 20 -6.774 -4.901 1.140 190 1HD ARG 20 1HD ARG 20 -7.049 -7.232 1.101 191 2HD ARG 20 2HD ARG 20 -8.698 -6.659 0.899 192 HE ARG 20 HE ARG 20 -7.278 -7.242 -1.685 193 1HH1 ARG 20 2HH1 ARG 20 -9.379 -8.756 0.820 194 2HH1 ARG 20 1HH1 ARG 20 -9.843 -10.056 -0.389 195 1HH2 ARG 20 1HH2 ARG 20 -7.898 -8.765 -2.908 196 2HH2 ARG 20 2HH2 ARG 20 -9.068 -10.056 -2.332 197 H VAL 21 H VAL 21 -10.177 -2.630 -1.344 198 HA VAL 21 HA VAL 21 -9.508 -1.195 -3.861 199 HB VAL 21 HB VAL 21 -11.886 -1.533 -4.580 200 1HG1 VAL 21 1HG1 VAL 21 -10.079 -3.146 -5.227 201 2HG1 VAL 21 2HG1 VAL 21 -10.521 -4.187 -3.853 202 3HG1 VAL 21 3HG1 VAL 21 -11.681 -3.906 -5.184 203 1HG2 VAL 21 1HG2 VAL 21 -13.108 -1.705 -2.421 204 2HG2 VAL 21 2HG2 VAL 21 -13.492 -3.036 -3.531 205 3HG2 VAL 21 3HG2 VAL 21 -12.401 -3.312 -2.142 206 H TYR 22 1H TYR 22 -10.938 2.640 -4.730 207 H TYR 22 2H TYR 22 -8.851 0.778 -2.843 208 HA TYR 22 HA TYR 22 -10.842 3.141 -2.234 209 1HB TYR 22 1HB TYR 22 -8.871 3.554 -1.140 210 2HB TYR 22 2HB TYR 22 -7.965 3.396 -2.618 211 HD1 TYR 22 HD1 TYR 22 -10.418 5.545 -0.844 212 HD2 TYR 22 HD2 TYR 22 -8.053 5.058 -4.401 213 HE1 TYR 22 HE1 TYR 22 -10.683 7.944 -1.362 214 HE2 TYR 22 HE2 TYR 22 -8.329 7.445 -4.909 215 HH TYR 22 HH TYR 22 -9.211 9.369 -4.259 No H/Q in entry = 215 Start of MODEL 10 1 H PRO 1 H PRO 1 11.485 1.279 -3.587 2 HA PRO 1 HA PRO 1 9.358 2.045 -3.927 3 1HB PRO 1 1HB PRO 1 8.169 0.563 -1.554 4 2HB PRO 1 2HB PRO 1 7.531 0.600 -3.180 5 1HG PRO 1 1HG PRO 1 9.518 -1.227 -1.756 6 2HG PRO 1 2HG PRO 1 8.651 -1.653 -3.237 7 1HD PRO 1 1HD PRO 1 11.278 -1.236 -3.352 8 2HD PRO 1 2HD PRO 1 10.274 -0.488 -4.633 9 H GLN 2 H GLN 2 7.841 2.793 -1.326 10 HA GLN 2 HA GLN 2 10.014 3.293 0.716 11 1HB GLN 2 1HB GLN 2 7.221 4.556 0.705 12 2HB GLN 2 2HB GLN 2 8.240 4.447 2.130 13 1HG GLN 2 1HG GLN 2 10.049 5.796 0.963 14 2HG GLN 2 2HG GLN 2 8.959 6.000 -0.405 15 1HE2 GLN 2 1HE2 GLN 2 7.758 8.987 1.234 16 2HE2 GLN 2 2HE2 GLN 2 8.314 8.127 -0.288 17 H ASN 3 H ASN 3 10.111 0.936 0.660 18 HA ASN 3 HA ASN 3 9.838 -1.051 1.781 19 1HB ASN 3 1HB ASN 3 7.816 0.366 3.565 20 2HB ASN 3 2HB ASN 3 8.280 -1.298 3.831 21 1HD2 ASN 3 1HD2 ASN 3 11.497 -0.358 5.237 22 2HD2 ASN 3 2HD2 ASN 3 10.489 -1.715 4.525 23 H ALA 4 H ALA 4 9.147 -2.629 0.505 24 HA ALA 4 HA ALA 4 7.888 -4.364 -0.222 25 1HB ALA 4 1HB ALA 4 7.215 -4.649 2.043 26 2HB ALA 4 2HB ALA 4 5.753 -3.667 1.783 27 3HB ALA 4 3HB ALA 4 5.959 -5.220 0.916 28 H LYS 5 H LYS 5 7.464 -4.079 -2.415 29 HA LYS 5 HA LYS 5 6.725 -3.405 -4.370 30 1HB LYS 5 1HB LYS 5 4.182 -4.041 -2.921 31 2HB LYS 5 2HB LYS 5 3.888 -2.975 -4.214 32 1HG LYS 5 1HG LYS 5 5.401 -5.591 -4.780 33 2HG LYS 5 2HG LYS 5 3.667 -5.472 -4.753 34 1HD LYS 5 1HD LYS 5 4.046 -5.342 -7.008 35 2HD LYS 5 2HD LYS 5 3.797 -3.658 -6.604 36 1HE LYS 5 1HE LYS 5 6.336 -3.317 -6.636 37 2HE LYS 5 2HE LYS 5 6.539 -5.024 -7.065 38 1HZ LYS 5 1HZ LYS 5 5.025 -3.019 -8.677 39 2HZ LYS 5 2HZ LYS 5 6.527 -3.609 -9.035 40 3HZ LYS 5 3HZ LYS 5 5.214 -4.611 -9.079 41 H LEU 6 H LEU 6 4.816 -1.161 -2.359 42 HA LEU 6 HA LEU 6 4.803 1.190 -4.473 43 1HB LEU 6 1HB LEU 6 2.575 0.497 -3.715 44 2HB LEU 6 2HB LEU 6 3.072 1.275 -2.226 45 HG LEU 6 HG LEU 6 3.758 3.334 -3.623 46 1HD1 LEU 6 1HD1 LEU 6 3.947 2.177 -5.845 47 2HD1 LEU 6 2HD1 LEU 6 2.198 1.842 -5.845 48 3HD1 LEU 6 3HD1 LEU 6 2.790 3.519 -5.925 49 1HD2 LEU 6 1HD2 LEU 6 0.777 2.478 -3.650 50 2HD2 LEU 6 2HD2 LEU 6 1.621 3.369 -2.359 51 3HD2 LEU 6 3HD2 LEU 6 1.366 4.140 -3.928 52 H LYS 7 H LYS 7 3.405 1.180 -1.178 53 HA LYS 7 HA LYS 7 5.214 3.162 -0.049 54 1HB LYS 7 1HB LYS 7 3.267 4.432 -1.604 55 2HB LYS 7 2HB LYS 7 2.274 3.918 -0.343 56 1HG LYS 7 1HG LYS 7 2.587 5.983 0.355 57 2HG LYS 7 2HG LYS 7 3.706 5.127 1.395 58 1HD LYS 7 1HD LYS 7 5.639 5.893 -0.052 59 2HD LYS 7 2HD LYS 7 4.516 6.638 -1.172 60 1HE LYS 7 1HE LYS 7 5.395 8.426 0.098 61 2HE LYS 7 2HE LYS 7 3.741 8.231 0.659 62 1HZ LYS 7 1HZ LYS 7 6.178 7.257 2.087 63 2HZ LYS 7 2HZ LYS 7 5.276 8.580 2.494 64 3HZ LYS 7 3HZ LYS 7 4.631 7.065 2.633 65 H ILE 8 H ILE 8 5.445 1.460 1.587 66 HA ILE 8 HA ILE 8 4.915 0.287 3.504 67 HB ILE 8 HB ILE 8 2.377 1.923 3.777 68 1HG1 ILE 8 1HG1 ILE 8 5.038 2.930 5.069 69 2HG1 ILE 8 2HG1 ILE 8 4.612 3.370 3.447 70 1HG2 ILE 8 1HG2 ILE 8 2.588 0.037 5.461 71 2HG2 ILE 8 2HG2 ILE 8 4.132 0.705 6.050 72 3HG2 ILE 8 3HG2 ILE 8 2.614 1.612 6.291 73 1HD1 ILE 8 1HD1 ILE 8 2.521 4.486 4.146 74 2HD1 ILE 8 2HD1 ILE 8 2.887 4.100 5.849 75 3HD1 ILE 8 3HD1 ILE 8 3.975 5.182 4.928 76 H LYS 9 H LYS 9 4.590 -1.760 2.349 77 HA LYS 9 HA LYS 9 3.545 -3.758 2.118 78 1HB LYS 9 1HB LYS 9 1.468 -2.662 3.990 79 2HB LYS 9 2HB LYS 9 0.920 -3.981 3.030 80 1HG LYS 9 1HG LYS 9 3.487 -4.255 4.682 81 2HG LYS 9 2HG LYS 9 1.883 -4.487 5.371 82 1HD LYS 9 1HD LYS 9 1.365 -6.307 3.717 83 2HD LYS 9 2HD LYS 9 2.930 -6.100 2.953 84 1HE LYS 9 1HE LYS 9 4.087 -6.776 5.125 85 2HE LYS 9 2HE LYS 9 2.502 -6.989 5.893 86 1HZ LYS 9 1HZ LYS 9 3.455 -8.477 3.490 87 2HZ LYS 9 2HZ LYS 9 3.354 -9.082 5.024 88 3HZ LYS 9 3HZ LYS 9 1.978 -8.675 4.205 89 H ARG 10 H ARG 10 3.459 -3.884 0.029 90 HA ARG 10 HA ARG 10 1.812 -4.437 -2.194 91 1HB ARG 10 1HB ARG 10 0.021 -2.562 -1.275 92 2HB ARG 10 2HB ARG 10 0.617 -2.529 -2.924 93 1HG ARG 10 1HG ARG 10 -0.612 -4.982 -1.451 94 2HG ARG 10 2HG ARG 10 -1.369 -4.039 -2.730 95 1HD ARG 10 1HD ARG 10 1.294 -5.552 -3.146 96 2HD ARG 10 2HD ARG 10 -0.298 -6.311 -3.406 97 1HH1 ARG 10 1HH1 ARG 10 1.198 -6.878 -5.092 98 2HH1 ARG 10 2HH1 ARG 10 1.402 -6.686 -6.917 99 1HH2 ARG 10 1HH2 ARG 10 -0.029 -3.618 -6.751 100 2HH2 ARG 10 2HH2 ARG 10 0.737 -4.915 -7.824 101 HA PRO 11 HA PRO 11 1.461 0.269 -3.918 102 1HB PRO 11 1HB PRO 11 -1.463 -0.686 -3.788 103 2HB PRO 11 2HB PRO 11 -0.876 0.520 -4.877 104 1HG PRO 11 1HG PRO 11 -1.069 -1.975 -5.825 105 2HG PRO 11 2HG PRO 11 0.540 -1.219 -6.048 106 1HD PRO 11 1HD PRO 11 -0.333 -3.240 -3.938 107 2HD PRO 11 2HD PRO 11 1.220 -3.132 -4.807 108 H VAL 12 H VAL 12 -0.951 1.841 -2.934 109 HA VAL 12 HA VAL 12 0.695 2.962 -0.816 110 HB VAL 12 HB VAL 12 -1.971 4.085 -1.703 111 1HG1 VAL 12 1HG1 VAL 12 -1.217 5.047 0.491 112 2HG1 VAL 12 2HG1 VAL 12 0.306 5.590 -0.234 113 3HG1 VAL 12 3HG1 VAL 12 -1.254 6.293 -0.767 114 1HG2 VAL 12 1HG2 VAL 12 -0.365 3.976 -3.641 115 2HG2 VAL 12 2HG2 VAL 12 -0.748 5.655 -3.228 116 3HG2 VAL 12 3HG2 VAL 12 0.823 4.939 -2.748 117 H LYS 13 H LYS 13 0.636 2.119 1.220 118 HA LYS 13 HA LYS 13 0.083 1.272 3.182 119 1HB LYS 13 1HB LYS 13 -0.754 3.669 3.226 120 2HB LYS 13 2HB LYS 13 -2.391 3.056 3.136 121 1HG LYS 13 1HG LYS 13 -0.435 2.116 5.355 122 2HG LYS 13 2HG LYS 13 -1.068 3.716 5.446 123 1HD LYS 13 1HD LYS 13 -2.974 1.269 5.220 124 2HD LYS 13 2HD LYS 13 -2.190 1.674 6.734 125 1HE LYS 13 1HE LYS 13 -3.221 3.930 6.780 126 2HE LYS 13 2HE LYS 13 -4.003 3.635 5.219 127 1HZ LYS 13 1HZ LYS 13 -4.469 2.034 7.700 128 2HZ LYS 13 2HZ LYS 13 -5.509 3.151 7.067 129 3HZ LYS 13 3HZ LYS 13 -5.198 1.752 6.244 130 H VAL 14 H VAL 14 -0.158 -0.854 2.248 131 HA VAL 14 HA VAL 14 -0.872 -2.933 2.840 132 HB VAL 14 HB VAL 14 -3.489 -2.037 4.053 133 1HG1 VAL 14 1HG1 VAL 14 -3.531 -4.458 3.378 134 2HG1 VAL 14 2HG1 VAL 14 -2.106 -4.787 4.381 135 3HG1 VAL 14 3HG1 VAL 14 -3.648 -4.280 5.138 136 1HG2 VAL 14 1HG2 VAL 14 -1.548 -1.115 5.343 137 2HG2 VAL 14 2HG2 VAL 14 -2.461 -2.285 6.310 138 3HG2 VAL 14 3HG2 VAL 14 -0.894 -2.746 5.576 139 H GLN 15 H GLN 15 -0.732 -3.340 0.559 140 HA GLN 15 HA GLN 15 -1.332 -3.889 -1.524 141 1HB GLN 15 1HB GLN 15 -4.074 -4.568 -0.267 142 2HB GLN 15 2HB GLN 15 -3.739 -4.853 -1.960 143 1HG GLN 15 1HG GLN 15 -2.192 -6.134 0.322 144 2HG GLN 15 2HG GLN 15 -3.564 -6.840 -0.519 145 1HE2 GLN 15 1HE2 GLN 15 -0.675 -8.490 -2.037 146 2HE2 GLN 15 2HE2 GLN 15 -1.611 -8.413 -0.461 147 HA PRO 16 HA PRO 16 -3.358 -0.010 -3.530 148 1HB PRO 16 1HB PRO 16 -6.159 -1.263 -3.813 149 2HB PRO 16 2HB PRO 16 -5.390 -0.065 -4.878 150 1HG PRO 16 1HG PRO 16 -5.265 -2.671 -5.580 151 2HG PRO 16 2HG PRO 16 -3.795 -1.658 -5.721 152 1HD PRO 16 1HD PRO 16 -4.398 -3.769 -3.711 153 2HD PRO 16 2HD PRO 16 -2.863 -3.189 -4.293 154 H ILE 17 H ILE 17 -5.793 1.456 -3.188 155 HA ILE 17 HA ILE 17 -4.100 2.812 -1.301 156 HB ILE 17 HB ILE 17 -6.481 3.792 -2.957 157 1HG1 ILE 17 1HG1 ILE 17 -4.653 5.143 -4.275 158 2HG1 ILE 17 2HG1 ILE 17 -3.446 4.272 -3.357 159 1HG2 ILE 17 1HG2 ILE 17 -6.290 5.311 -0.977 160 2HG2 ILE 17 2HG2 ILE 17 -4.600 5.669 -1.372 161 3HG2 ILE 17 3HG2 ILE 17 -5.918 6.172 -2.474 162 1HD1 ILE 17 1HD1 ILE 17 -5.422 3.103 -5.424 163 2HD1 ILE 17 2HD1 ILE 17 -3.695 3.465 -5.675 164 3HD1 ILE 17 3HD1 ILE 17 -4.170 2.159 -4.565 165 H ALA 18 H ALA 18 -4.295 2.715 0.886 166 HA ALA 18 HA ALA 18 -5.021 3.053 3.002 167 1HB ALA 18 1HB ALA 18 -5.851 5.183 2.273 168 2HB ALA 18 2HB ALA 18 -7.466 4.494 1.957 169 3HB ALA 18 3HB ALA 18 -6.822 4.530 3.620 170 H ARG 19 H ARG 19 -5.052 0.704 3.107 171 HA ARG 19 HA ARG 19 -5.793 -1.233 4.040 172 1HB ARG 19 1HB ARG 19 -6.831 0.255 5.803 173 2HB ARG 19 2HB ARG 19 -8.372 0.088 4.981 174 1HG ARG 19 1HG ARG 19 -8.225 -2.457 5.393 175 2HG ARG 19 2HG ARG 19 -6.728 -2.173 6.264 176 1HD ARG 19 1HD ARG 19 -8.324 -2.372 7.983 177 2HD ARG 19 2HD ARG 19 -8.085 -0.633 7.901 178 HE ARG 19 HE ARG 19 -10.347 -1.320 6.186 179 1HH1 ARG 19 2HH1 ARG 19 -9.673 -1.283 9.724 180 2HH1 ARG 19 1HH1 ARG 19 -11.468 -1.071 10.039 181 1HH2 ARG 19 1HH2 ARG 19 -12.313 -1.083 6.711 182 2HH2 ARG 19 2HH2 ARG 19 -12.841 -0.967 8.464 183 H ARG 20 H ARG 20 -5.793 -1.324 1.454 184 HA ARG 20 HA ARG 20 -6.588 -2.827 -0.366 185 1HB ARG 20 1HB ARG 20 -8.204 -4.387 -0.089 186 2HB ARG 20 2HB ARG 20 -7.756 -4.165 1.592 187 1HG ARG 20 1HG ARG 20 -10.122 -2.614 0.295 188 2HG ARG 20 2HG ARG 20 -10.319 -4.217 0.996 189 1HD ARG 20 1HD ARG 20 -9.504 -3.342 3.228 190 2HD ARG 20 2HD ARG 20 -9.252 -1.732 2.505 191 1HH1 ARG 20 1HH1 ARG 20 -10.070 -1.093 4.351 192 2HH1 ARG 20 2HH1 ARG 20 -11.563 -0.328 5.122 193 1HH2 ARG 20 1HH2 ARG 20 -13.539 -1.917 2.874 194 2HH2 ARG 20 2HH2 ARG 20 -13.451 -0.772 4.324 195 H VAL 21 H VAL 21 -10.185 -1.395 0.374 196 HA VAL 21 HA VAL 21 -9.665 -1.773 -2.564 197 HB VAL 21 HB VAL 21 -11.823 -2.639 -3.029 198 1HG1 VAL 21 1HG1 VAL 21 -9.868 -4.163 -3.046 199 2HG1 VAL 21 2HG1 VAL 21 -10.251 -4.696 -1.394 200 3HG1 VAL 21 3HG1 VAL 21 -11.381 -5.036 -2.737 201 1HG2 VAL 21 1HG2 VAL 21 -13.155 -2.191 -0.931 202 2HG2 VAL 21 2HG2 VAL 21 -13.328 -3.864 -1.484 203 3HG2 VAL 21 3HG2 VAL 21 -12.268 -3.483 -0.097 204 H TYR 22 1H TYR 22 -10.172 2.478 -4.488 205 H TYR 22 2H TYR 22 -9.214 0.474 -2.367 206 HA TYR 22 HA TYR 22 -11.243 2.720 -1.677 207 1HB TYR 22 1HB TYR 22 -9.139 3.446 -1.227 208 2HB TYR 22 2HB TYR 22 -8.566 3.042 -2.820 209 HD1 TYR 22 HD1 TYR 22 -9.247 4.344 -4.833 210 HD2 TYR 22 HD2 TYR 22 -10.662 5.400 -0.913 211 HE1 TYR 22 HE1 TYR 22 -9.942 6.560 -5.669 212 HE2 TYR 22 HE2 TYR 22 -11.344 7.604 -1.755 213 HH TYR 22 HH TYR 22 -11.451 8.943 -3.515 No H/Q in entry = 213
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