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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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5277 |
1gyz ![]() ![]() |
cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 TRP 59 1H TRP 59 -4.190 -12.056 0.258 2 H2 TRP 59 2H TRP 59 -3.081 -12.691 -0.859 3 H3 TRP 59 3H TRP 59 -2.808 -12.879 0.807 4 HA TRP 59 HA TRP 59 -2.534 -10.564 1.082 5 1HB TRP 59 1HB TRP 59 -0.740 -11.679 -1.144 6 2HB TRP 59 2HB TRP 59 -0.408 -10.256 -0.133 7 HD1 TRP 59 HD1 TRP 59 0.480 -10.724 2.379 8 HE1 TRP 59 HE1 TRP 59 1.267 -12.849 3.558 9 HE3 TRP 59 HE3 TRP 59 -1.239 -14.119 -0.974 10 HZ2 TRP 59 HZ2 TRP 59 1.135 -15.640 3.122 11 HZ3 TRP 59 HZ3 TRP 59 -0.884 -16.504 -0.535 12 HH2 TRP 59 HH2 TRP 59 0.278 -17.255 1.480 13 H ILE 60 H ILE 60 -4.711 -9.856 0.380 14 HA ILE 60 HA ILE 60 -4.627 -8.387 -2.068 15 HB ILE 60 HB ILE 60 -7.184 -9.471 -2.125 16 1HG1 ILE 60 1HG1 ILE 60 -6.624 -11.870 -2.696 17 2HG1 ILE 60 2HG1 ILE 60 -5.014 -11.657 -1.919 18 1HG2 ILE 60 1HG2 ILE 60 -5.849 -8.408 -3.896 19 2HG2 ILE 60 2HG2 ILE 60 -4.680 -9.790 -3.889 20 3HG2 ILE 60 3HG2 ILE 60 -6.393 -10.055 -4.405 21 1HD1 ILE 60 1HD1 ILE 60 -7.721 -11.231 -0.530 22 2HD1 ILE 60 2HD1 ILE 60 -6.658 -12.696 -0.344 23 3HD1 ILE 60 3HD1 ILE 60 -6.085 -11.066 0.203 24 H ALA 61 H ALA 61 -6.882 -9.420 0.506 25 HA ALA 61 HA ALA 61 -8.095 -6.795 0.389 26 1HB ALA 61 1HB ALA 61 -8.860 -9.331 1.963 27 2HB ALA 61 3HB ALA 61 -9.602 -8.828 0.396 28 3HB ALA 61 2HB ALA 61 -9.842 -7.817 1.871 29 H ARG 62 H ARG 62 -5.480 -8.246 1.830 30 HA ARG 62 HA ARG 62 -5.856 -7.098 4.439 31 1HB ARG 62 1HB ARG 62 -3.062 -7.570 3.840 32 2HB ARG 62 2HB ARG 62 -4.113 -8.364 5.061 33 1HG ARG 62 1HG ARG 62 -4.927 -9.943 3.125 34 2HG ARG 62 2HG ARG 62 -3.641 -9.186 2.147 35 1HD ARG 62 1HD ARG 62 -1.888 -10.130 3.497 36 2HD ARG 62 2HD ARG 62 -3.012 -10.390 4.914 37 HE ARG 62 HE ARG 62 -3.882 -11.870 2.555 38 1HH1 ARG 62 1HH1 ARG 62 -3.528 -14.186 2.554 39 2HH1 ARG 62 2HH1 ARG 62 -2.436 -14.903 3.691 40 1HH2 ARG 62 1HH2 ARG 62 -1.559 -11.828 5.261 41 2HH2 ARG 62 2HH2 ARG 62 -1.299 -13.541 5.254 42 H ILE 63 H ILE 63 -4.652 -6.218 1.190 43 HA ILE 63 HA ILE 63 -3.119 -4.077 1.975 44 HB ILE 63 HB ILE 63 -4.535 -4.754 -0.674 45 1HG1 ILE 63 1HG1 ILE 63 -1.905 -5.784 0.500 46 2HG1 ILE 63 2HG1 ILE 63 -3.363 -6.804 0.233 47 1HG2 ILE 63 1HG2 ILE 63 -1.924 -3.376 0.150 48 2HG2 ILE 63 2HG2 ILE 63 -2.475 -3.613 -1.560 49 3HG2 ILE 63 3HG2 ILE 63 -3.415 -2.534 -0.451 50 1HD1 ILE 63 1HD1 ILE 63 -3.179 -6.465 -2.239 51 2HD1 ILE 63 2HD1 ILE 63 -1.658 -5.523 -1.988 52 3HD1 ILE 63 3HD1 ILE 63 -1.714 -7.245 -1.536 53 H ASN 64 H ASN 64 -6.442 -4.840 0.893 54 HA ASN 64 HA ASN 64 -7.359 -2.219 0.629 55 1HB ASN 64 1HB ASN 64 -8.562 -4.413 -0.070 56 2HB ASN 64 2HB ASN 64 -8.980 -4.643 1.652 57 1HD2 ASN 64 2HD2 ASN 64 -10.966 -3.978 2.171 58 2HD2 ASN 64 1HD2 ASN 64 -11.803 -2.605 1.527 59 H ALA 65 H ALA 65 -7.200 -4.549 3.228 60 HA ALA 65 HA ALA 65 -8.671 -3.055 5.090 61 1HB ALA 65 3HB ALA 65 -7.739 -4.580 6.850 62 2HB ALA 65 1HB ALA 65 -8.297 -5.520 5.417 63 3HB ALA 65 2HB ALA 65 -6.536 -5.198 5.658 64 H ALA 66 H ALA 66 -5.231 -2.946 4.110 65 HA ALA 66 HA ALA 66 -4.547 -1.631 6.560 66 1HB ALA 66 2HB ALA 66 -2.972 -1.814 3.936 67 2HB ALA 66 3HB ALA 66 -2.329 -1.352 5.562 68 3HB ALA 66 1HB ALA 66 -2.904 -3.029 5.269 69 H VAL 67 H VAL 67 -5.469 -0.644 3.220 70 HA VAL 67 HA VAL 67 -4.319 1.947 3.689 71 HB VAL 67 HB VAL 67 -4.881 2.437 1.370 72 1HG1 VAL 67 1HG1 VAL 67 -3.438 -0.236 1.812 73 2HG1 VAL 67 2HG1 VAL 67 -3.465 0.700 0.273 74 3HG1 VAL 67 3HG1 VAL 67 -2.737 1.427 1.753 75 1HG2 VAL 67 1HG2 VAL 67 -6.261 -0.327 1.456 76 2HG2 VAL 67 2HG2 VAL 67 -7.016 1.254 1.074 77 3HG2 VAL 67 3HG2 VAL 67 -5.814 0.538 -0.049 78 H ARG 68 H ARG 68 -7.313 0.489 4.341 79 HA ARG 68 HA ARG 68 -8.957 2.594 3.367 80 1HB ARG 68 1HB ARG 68 -10.829 1.422 4.412 81 2HB ARG 68 2HB ARG 68 -9.805 0.266 3.503 82 1HG ARG 68 1HG ARG 68 -8.641 -0.310 5.701 83 2HG ARG 68 2HG ARG 68 -9.872 0.676 6.563 84 1HD ARG 68 1HD ARG 68 -10.475 -1.749 4.743 85 2HD ARG 68 2HD ARG 68 -10.450 -1.762 6.564 86 HE ARG 68 HE ARG 68 -12.210 0.336 5.578 87 1HH1 ARG 68 1HH1 ARG 68 -14.525 -0.055 5.729 88 2HH1 ARG 68 2HH1 ARG 68 -15.123 -1.667 5.948 89 1HH2 ARG 68 1HH2 ARG 68 -11.908 -3.195 5.986 90 2HH2 ARG 68 2HH2 ARG 68 -13.614 -3.477 6.096 91 H ALA 69 H ALA 69 -6.851 2.391 5.950 92 HA ALA 69 HA ALA 69 -8.339 3.761 7.917 93 1HB ALA 69 1HB ALA 69 -5.304 3.683 7.344 94 2HB ALA 69 2HB ALA 69 -6.056 4.304 8.863 95 3HB ALA 69 3HB ALA 69 -6.175 2.551 8.444 96 H TYR 70 H TYR 70 -6.463 4.632 4.985 97 HA TYR 70 HA TYR 70 -6.212 7.337 5.882 98 1HB TYR 70 1HB TYR 70 -5.501 6.052 3.175 99 2HB TYR 70 2HB TYR 70 -4.904 7.652 3.791 100 HD1 TYR 70 HD1 TYR 70 -3.990 7.243 6.435 101 HD2 TYR 70 HD2 TYR 70 -3.923 4.461 3.196 102 HE1 TYR 70 HE1 TYR 70 -2.134 6.048 7.493 103 HE2 TYR 70 HE2 TYR 70 -2.061 3.277 4.256 104 HH TYR 70 HH TYR 70 -0.695 4.379 7.372 105 H GLY 71 H GLY 71 -7.857 5.482 3.244 106 1HA GLY 71 2HA GLY 71 -9.046 7.980 2.361 107 2HA GLY 71 1HA GLY 71 -10.123 6.621 2.908 108 H LEU 72 H LEU 72 -7.108 5.583 1.644 109 HA LEU 72 HA LEU 72 -7.965 5.327 -1.121 110 1HB LEU 72 1HB LEU 72 -5.800 3.915 0.529 111 2HB LEU 72 2HB LEU 72 -6.080 3.655 -1.223 112 HG LEU 72 HG LEU 72 -4.184 4.993 -1.042 113 1HD1 LEU 72 1HD1 LEU 72 -5.716 5.700 -2.814 114 2HD1 LEU 72 2HD1 LEU 72 -6.465 6.936 -1.737 115 3HD1 LEU 72 3HD1 LEU 72 -4.733 7.092 -2.220 116 1HD2 LEU 72 1HD2 LEU 72 -4.335 5.754 1.281 117 2HD2 LEU 72 2HD2 LEU 72 -3.889 7.096 0.166 118 3HD2 LEU 72 3HD2 LEU 72 -5.563 6.999 0.825 119 H ASN 73 H ASN 73 -8.523 3.391 -2.090 120 HA ASN 73 HA ASN 73 -9.647 1.537 -0.193 121 1HB ASN 73 1HB ASN 73 -11.626 1.177 -1.616 122 2HB ASN 73 2HB ASN 73 -11.494 2.933 -1.249 123 1HD2 ASN 73 2HD2 ASN 73 -10.185 4.256 -2.976 124 2HD2 ASN 73 1HD2 ASN 73 -10.510 3.871 -4.633 125 H TYR 74 H TYR 74 -7.109 1.799 -1.699 126 HA TYR 74 HA TYR 74 -5.634 0.369 -2.314 127 1HB TYR 74 1HB TYR 74 -6.726 -1.526 -1.205 128 2HB TYR 74 2HB TYR 74 -7.792 -1.784 -2.632 129 HD1 TYR 74 HD1 TYR 74 -7.267 -4.021 -2.755 130 HD2 TYR 74 HD2 TYR 74 -4.086 -1.169 -3.031 131 HE1 TYR 74 HE1 TYR 74 -5.863 -5.687 -3.821 132 HE2 TYR 74 HE2 TYR 74 -2.699 -2.855 -4.117 133 HH TYR 74 HH TYR 74 -3.958 -6.137 -4.807 134 H SER 75 H SER 75 -8.388 1.296 -4.189 135 HA SER 75 HA SER 75 -7.274 0.193 -6.631 136 1HB SER 75 1HB SER 75 -9.691 2.066 -6.204 137 2HB SER 75 2HB SER 75 -9.204 1.315 -7.775 138 HG SER 75 HG SER 75 -10.152 0.092 -5.414 139 H THR 76 H THR 76 -7.620 3.312 -4.926 140 HA THR 76 HA THR 76 -6.526 4.692 -7.199 141 HB THR 76 HB THR 76 -6.555 6.617 -5.377 142 HG1 THR 76 HG1 THR 76 -6.957 5.303 -3.640 143 1HG2 THR 76 1HG2 THR 76 -9.117 5.262 -6.491 144 2HG2 THR 76 2HG2 THR 76 -8.985 6.975 -5.935 145 3HG2 THR 76 3HG2 THR 76 -8.071 6.428 -7.392 146 H PHE 77 H PHE 77 -5.581 3.192 -4.202 147 HA PHE 77 HA PHE 77 -3.080 4.399 -3.899 148 1HB PHE 77 1HB PHE 77 -4.379 2.702 -2.300 149 2HB PHE 77 2HB PHE 77 -3.686 1.416 -3.343 150 HD1 PHE 77 HD1 PHE 77 -2.361 4.616 -1.807 151 HD2 PHE 77 HD2 PHE 77 -1.867 0.415 -2.426 152 HE1 PHE 77 HE1 PHE 77 -0.387 4.660 -0.383 153 HE2 PHE 77 HE2 PHE 77 0.175 0.508 -1.019 154 HZ PHE 77 HZ PHE 77 0.897 2.592 0.009 155 H ILE 78 H ILE 78 -4.442 1.703 -5.697 156 HA ILE 78 HA ILE 78 -2.180 0.490 -6.523 157 HB ILE 78 HB ILE 78 -4.954 0.242 -7.003 158 1HG1 ILE 78 1HG1 ILE 78 -2.750 -1.652 -7.880 159 2HG1 ILE 78 2HG1 ILE 78 -2.998 -1.310 -6.129 160 1HG2 ILE 78 1HG2 ILE 78 -4.687 1.121 -9.310 161 2HG2 ILE 78 2HG2 ILE 78 -3.361 -0.077 -9.626 162 3HG2 ILE 78 3HG2 ILE 78 -5.037 -0.628 -9.306 163 1HD1 ILE 78 1HD1 ILE 78 -5.181 -2.457 -7.979 164 2HD1 ILE 78 2HD1 ILE 78 -4.177 -3.386 -6.796 165 3HD1 ILE 78 3HD1 ILE 78 -5.303 -2.115 -6.204 166 H ASN 79 H ASN 79 -3.898 3.253 -7.966 167 HA ASN 79 HA ASN 79 -2.404 3.055 -10.359 168 1HB ASN 79 1HB ASN 79 -3.401 4.993 -11.113 169 2HB ASN 79 2HB ASN 79 -4.704 4.086 -10.221 170 1HD2 ASN 79 2HD2 ASN 79 -6.029 5.303 -9.051 171 2HD2 ASN 79 1HD2 ASN 79 -5.745 6.936 -8.551 172 H GLY 80 H GLY 80 -2.435 4.932 -7.571 173 1HA GLY 80 2HA GLY 80 -0.890 6.244 -6.486 174 2HA GLY 80 1HA GLY 80 -0.323 6.663 -8.136 175 H LEU 81 H LEU 81 -0.178 3.285 -7.172 176 HA LEU 81 HA LEU 81 2.487 3.323 -6.272 177 1HB LEU 81 1HB LEU 81 1.419 1.073 -8.028 178 2HB LEU 81 2HB LEU 81 2.722 1.010 -6.826 179 HG LEU 81 HG LEU 81 -0.225 1.325 -6.173 180 1HD1 LEU 81 1HD1 LEU 81 0.447 -0.962 -6.951 181 2HD1 LEU 81 2HD1 LEU 81 1.733 -0.981 -5.681 182 3HD1 LEU 81 3HD1 LEU 81 -0.007 -0.957 -5.201 183 1HD2 LEU 81 1HD2 LEU 81 2.217 1.187 -4.301 184 2HD2 LEU 81 2HD2 LEU 81 1.027 2.543 -4.469 185 3HD2 LEU 81 3HD2 LEU 81 0.506 0.968 -3.778 186 H LYS 82 H LYS 82 0.999 3.282 -9.523 187 HA LYS 82 HA LYS 82 3.449 2.634 -10.808 188 1HB LYS 82 1HB LYS 82 1.135 2.054 -11.695 189 2HB LYS 82 2HB LYS 82 0.841 3.809 -11.941 190 1HG LYS 82 1HG LYS 82 2.712 3.891 -13.602 191 2HG LYS 82 2HG LYS 82 3.036 2.141 -13.326 192 1HD LYS 82 1HD LYS 82 0.751 1.580 -14.155 193 2HD LYS 82 2HD LYS 82 0.380 3.331 -14.349 194 1HE LYS 82 1HE LYS 82 2.199 3.532 -16.076 195 2HE LYS 82 2HE LYS 82 2.547 1.761 -15.903 196 1HZ LYS 82 1HZ LYS 82 -0.051 2.961 -16.717 197 2HZ LYS 82 2HZ LYS 82 1.093 2.242 -17.747 198 3HZ LYS 82 3HZ LYS 82 0.296 1.302 -16.579 199 H LYS 83 H LYS 83 1.696 5.508 -9.763 200 HA LYS 83 HA LYS 83 3.122 7.341 -11.383 201 1HB LYS 83 1HB LYS 83 1.501 7.644 -8.788 202 2HB LYS 83 2HB LYS 83 2.282 9.029 -9.634 203 1HG LYS 83 1HG LYS 83 0.984 8.524 -11.702 204 2HG LYS 83 2HG LYS 83 0.185 7.139 -10.879 205 1HD LYS 83 1HD LYS 83 -0.835 8.687 -9.221 206 2HD LYS 83 2HD LYS 83 -0.012 10.087 -10.001 207 1HE LYS 83 1HE LYS 83 -1.287 9.696 -12.116 208 2HE LYS 83 2HE LYS 83 -2.072 8.235 -11.387 209 1HZ LYS 83 1HZ LYS 83 -2.298 11.026 -10.384 210 2HZ LYS 83 2HZ LYS 83 -3.468 10.168 -11.268 211 3HZ LYS 83 3HZ LYS 83 -3.036 9.651 -9.711 212 H ALA 84 H ALA 84 3.595 5.730 -8.264 213 HA ALA 84 HA ALA 84 5.739 7.403 -7.458 214 1HB ALA 84 1HB ALA 84 4.431 6.010 -5.799 215 2HB ALA 84 2HB ALA 84 5.034 4.522 -6.601 216 3HB ALA 84 3HB ALA 84 6.193 5.623 -5.765 217 H GLY 85 H GLY 85 5.304 4.303 -9.198 218 1HA GLY 85 2HA GLY 85 7.969 4.631 -10.307 219 2HA GLY 85 1HA GLY 85 6.593 3.625 -10.931 220 H ILE 86 H ILE 86 5.890 2.667 -8.256 221 HA ILE 86 HA ILE 86 8.111 0.858 -7.698 222 HB ILE 86 HB ILE 86 6.112 2.283 -5.837 223 1HG1 ILE 86 1HG1 ILE 86 9.159 2.670 -6.060 224 2HG1 ILE 86 2HG1 ILE 86 7.911 3.822 -6.642 225 1HG2 ILE 86 1HG2 ILE 86 6.713 -0.086 -5.156 226 2HG2 ILE 86 2HG2 ILE 86 8.448 0.394 -5.107 227 3HG2 ILE 86 3HG2 ILE 86 7.244 1.149 -3.983 228 1HD1 ILE 86 1HD1 ILE 86 7.006 4.000 -4.278 229 2HD1 ILE 86 2HD1 ILE 86 8.412 3.019 -3.715 230 3HD1 ILE 86 3HD1 ILE 86 8.690 4.621 -4.491 231 H GLU 87 H GLU 87 7.194 -1.011 -8.708 232 HA GLU 87 HA GLU 87 4.311 -1.156 -8.753 233 1HB GLU 87 1HB GLU 87 6.445 -3.046 -9.886 234 2HB GLU 87 2HB GLU 87 4.666 -3.236 -10.108 235 1HG GLU 87 1HG GLU 87 4.579 -1.020 -11.292 236 2HG GLU 87 2HG GLU 87 6.370 -0.853 -11.108 237 H LEU 88 H LEU 88 3.642 -1.563 -6.650 238 HA LEU 88 HA LEU 88 4.801 -3.922 -5.373 239 1HB LEU 88 1HB LEU 88 5.051 -1.146 -4.776 240 2HB LEU 88 2HB LEU 88 3.936 -1.768 -3.539 241 HG LEU 88 HG LEU 88 5.595 -3.538 -2.913 242 1HD1 LEU 88 1HD1 LEU 88 7.478 -2.195 -4.956 243 2HD1 LEU 88 2HD1 LEU 88 7.984 -3.371 -3.688 244 3HD1 LEU 88 3HD1 LEU 88 6.868 -3.892 -4.995 245 1HD2 LEU 88 1HD2 LEU 88 5.557 -1.253 -1.783 246 2HD2 LEU 88 2HD2 LEU 88 7.148 -2.098 -1.698 247 3HD2 LEU 88 3HD2 LEU 88 6.903 -0.746 -2.855 248 H ASP 89 H ASP 89 3.282 -3.861 -3.068 249 HA ASP 89 HA ASP 89 1.543 -4.923 -2.252 250 1HB ASP 89 1HB ASP 89 -0.353 -3.066 -3.718 251 2HB ASP 89 2HB ASP 89 -0.512 -3.853 -2.137 252 H ARG 90 H ARG 90 2.389 -6.426 -4.367 253 HA ARG 90 HA ARG 90 0.057 -6.587 -6.080 254 1HB ARG 90 1HB ARG 90 1.575 -7.972 -7.571 255 2HB ARG 90 2HB ARG 90 2.205 -6.318 -7.256 256 1HG ARG 90 1HG ARG 90 3.728 -7.229 -5.477 257 2HG ARG 90 2HG ARG 90 3.138 -8.893 -5.837 258 1HD ARG 90 1HD ARG 90 4.035 -8.719 -8.167 259 2HD ARG 90 2HD ARG 90 4.588 -7.017 -7.824 260 HE ARG 90 HE ARG 90 5.609 -8.799 -5.789 261 1HH1 ARG 90 1HH1 ARG 90 7.877 -9.400 -5.925 262 2HH1 ARG 90 2HH1 ARG 90 8.732 -9.240 -7.422 263 1HH2 ARG 90 1HH2 ARG 90 5.946 -7.971 -9.242 264 2HH2 ARG 90 2HH2 ARG 90 7.618 -8.415 -9.336 265 H LYS 91 H LYS 91 1.328 -7.993 -3.288 266 HA LYS 91 HA LYS 91 0.000 -9.709 -2.358 267 1HB LYS 91 1HB LYS 91 1.109 -11.215 -4.806 268 2HB LYS 91 2HB LYS 91 0.973 -12.023 -3.216 269 1HG LYS 91 1HG LYS 91 -1.443 -11.656 -3.104 270 2HG LYS 91 2HG LYS 91 -1.435 -10.812 -4.681 271 1HD LYS 91 1HD LYS 91 -0.613 -12.898 -5.790 272 2HD LYS 91 2HD LYS 91 -0.593 -13.735 -4.194 273 1HE LYS 91 1HE LYS 91 -3.073 -13.409 -3.974 274 2HE LYS 91 2HE LYS 91 -3.101 -12.551 -5.569 275 1HZ LYS 91 1HZ LYS 91 -2.232 -14.560 -6.586 276 2HZ LYS 91 2HZ LYS 91 -2.255 -15.361 -5.090 277 3HZ LYS 91 3HZ LYS 91 -3.708 -14.838 -5.795 278 H ILE 92 H ILE 92 1.223 -9.953 -0.610 279 HA ILE 92 HA ILE 92 2.689 -10.670 0.687 280 HB ILE 92 HB ILE 92 4.264 -11.427 -1.722 281 1HG1 ILE 92 1HG1 ILE 92 1.728 -12.389 -0.787 282 2HG1 ILE 92 2HG1 ILE 92 2.655 -12.743 -2.255 283 1HG2 ILE 92 1HG2 ILE 92 4.408 -12.478 1.203 284 2HG2 ILE 92 2HG2 ILE 92 5.319 -13.195 -0.182 285 3HG2 ILE 92 3HG2 ILE 92 5.705 -11.558 0.359 286 1HD1 ILE 92 1HD1 ILE 92 3.889 -14.592 -1.059 287 2HD1 ILE 92 2HD1 ILE 92 2.945 -14.231 0.446 288 3HD1 ILE 92 3HD1 ILE 92 2.107 -14.831 -1.026 289 H LEU 93 H LEU 93 2.669 -8.001 -0.840 290 HA LEU 93 HA LEU 93 4.881 -6.903 0.828 291 1HB LEU 93 1HB LEU 93 4.510 -5.595 -0.972 292 2HB LEU 93 2HB LEU 93 2.763 -5.930 -0.931 293 HG LEU 93 HG LEU 93 3.899 -4.174 1.210 294 1HD1 LEU 93 1HD1 LEU 93 4.965 -3.249 -0.740 295 2HD1 LEU 93 2HD1 LEU 93 3.361 -2.986 -1.533 296 3HD1 LEU 93 3HD1 LEU 93 3.766 -2.111 -0.020 297 1HD2 LEU 93 1HD2 LEU 93 1.179 -4.175 -0.229 298 2HD2 LEU 93 2HD2 LEU 93 1.515 -4.443 1.509 299 3HD2 LEU 93 3HD2 LEU 93 1.741 -2.815 0.828 300 H ALA 94 H ALA 94 1.584 -7.424 0.293 301 HA ALA 94 HA ALA 94 0.256 -6.044 2.160 302 1HB ALA 94 1HB ALA 94 -0.599 -7.569 0.284 303 2HB ALA 94 2HB ALA 94 -0.342 -8.945 1.485 304 3HB ALA 94 3HB ALA 94 -1.536 -7.661 1.869 305 H ASP 95 H ASP 95 2.398 -8.738 2.664 306 HA ASP 95 HA ASP 95 1.432 -9.478 5.163 307 1HB ASP 95 1HB ASP 95 3.587 -10.363 5.581 308 2HB ASP 95 2HB ASP 95 3.151 -10.686 3.845 309 H MET 96 H MET 96 3.784 -7.137 3.950 310 HA MET 96 HA MET 96 4.335 -6.211 6.623 311 1HB MET 96 1HB MET 96 6.182 -5.538 5.475 312 2HB MET 96 2HB MET 96 5.286 -5.478 3.941 313 1HG MET 96 1HG MET 96 4.873 -3.184 5.825 314 2HG MET 96 2HG MET 96 6.353 -3.355 4.866 315 1HE MET 96 1HE MET 96 6.470 -4.055 2.502 316 2HE MET 96 2HE MET 96 5.894 -2.733 1.439 317 3HE MET 96 3HE MET 96 6.822 -2.340 2.924 318 H ALA 97 H ALA 97 1.840 -5.452 4.263 319 HA ALA 97 HA ALA 97 1.356 -2.870 4.927 320 1HB ALA 97 1HB ALA 97 0.218 -4.018 3.003 321 2HB ALA 97 2HB ALA 97 -0.769 -4.960 4.181 322 3HB ALA 97 3HB ALA 97 -0.950 -3.170 4.060 323 H VAL 98 H VAL 98 0.443 -5.817 6.682 324 HA VAL 98 HA VAL 98 -1.222 -4.190 8.448 325 HB VAL 98 HB VAL 98 -1.077 -7.141 8.715 326 1HG1 VAL 98 1HG1 VAL 98 -2.559 -5.654 10.104 327 2HG1 VAL 98 2HG1 VAL 98 -3.394 -5.090 8.606 328 3HG1 VAL 98 3HG1 VAL 98 -3.531 -6.814 9.124 329 1HG2 VAL 98 1HG2 VAL 98 -2.276 -5.897 6.177 330 2HG2 VAL 98 2HG2 VAL 98 -1.021 -7.206 6.348 331 3HG2 VAL 98 3HG2 VAL 98 -2.714 -7.521 6.825 332 H ARG 99 H ARG 99 1.433 -6.565 8.125 333 HA ARG 99 HA ARG 99 1.461 -6.946 10.956 334 1HB ARG 99 1HB ARG 99 2.981 -8.365 8.703 335 2HB ARG 99 2HB ARG 99 2.955 -8.901 10.412 336 1HG ARG 99 1HG ARG 99 0.837 -9.834 10.246 337 2HG ARG 99 2HG ARG 99 0.237 -8.516 9.219 338 1HD ARG 99 1HD ARG 99 0.070 -10.227 7.662 339 2HD ARG 99 2HD ARG 99 1.731 -9.703 7.297 340 HE ARG 99 HE ARG 99 1.941 -11.642 9.380 341 1HH1 ARG 99 1HH1 ARG 99 2.501 -13.855 8.746 342 2HH1 ARG 99 2HH1 ARG 99 2.237 -14.379 7.116 343 1HH2 ARG 99 1HH2 ARG 99 0.917 -11.279 5.986 344 2HH2 ARG 99 2HH2 ARG 99 1.325 -12.897 5.527 345 H ASP 100 H ASP 100 3.346 -5.176 8.563 346 HA ASP 100 HA ASP 100 5.288 -4.582 10.624 347 1HB ASP 100 1HB ASP 100 6.111 -5.938 8.568 348 2HB ASP 100 2HB ASP 100 5.885 -4.481 7.610 349 HA PRO 101 HA PRO 101 2.830 -1.119 8.969 350 1HB PRO 101 1HB PRO 101 2.450 0.302 11.409 351 2HB PRO 101 2HB PRO 101 1.341 -0.962 10.734 352 1HG PRO 101 1HG PRO 101 3.536 -1.273 12.824 353 2HG PRO 101 2HG PRO 101 1.893 -2.042 12.788 354 1HD PRO 101 1HD PRO 101 4.233 -3.356 11.952 355 2HD PRO 101 2HD PRO 101 2.660 -3.677 11.083 356 H GLN 102 H GLN 102 5.908 -1.233 10.486 357 HA GLN 102 HA GLN 102 6.452 1.551 10.451 358 1HB GLN 102 1HB GLN 102 7.778 -0.127 11.812 359 2HB GLN 102 2HB GLN 102 8.358 -0.863 10.282 360 1HG GLN 102 1HG GLN 102 9.510 1.311 9.692 361 2HG GLN 102 2HG GLN 102 8.893 2.034 11.231 362 1HE2 GLN 102 2HE2 GLN 102 10.277 1.952 12.909 363 2HE2 GLN 102 1HE2 GLN 102 11.513 0.767 13.171 364 H ALA 103 H ALA 103 7.158 -1.279 8.317 365 HA ALA 103 HA ALA 103 8.331 0.392 6.337 366 1HB ALA 103 1HB ALA 103 7.547 -2.572 6.387 367 2HB ALA 103 3HB ALA 103 9.199 -1.891 6.586 368 3HB ALA 103 2HB ALA 103 8.374 -1.779 4.985 369 H PHE 104 H PHE 104 5.139 -1.282 6.847 370 HA PHE 104 HA PHE 104 3.995 -0.489 4.537 371 1HB PHE 104 1HB PHE 104 2.695 -1.620 6.417 372 2HB PHE 104 2HB PHE 104 2.643 -0.010 7.249 373 HD1 PHE 104 HD1 PHE 104 2.155 -0.967 3.611 374 HD2 PHE 104 HD2 PHE 104 0.514 0.720 7.179 375 HE1 PHE 104 HE1 PHE 104 0.138 -0.413 2.402 376 HE2 PHE 104 HE2 PHE 104 -1.539 1.264 5.953 377 HZ PHE 104 HZ PHE 104 -1.747 0.704 3.578 378 H GLU 105 H GLU 105 4.527 1.759 7.355 379 HA GLU 105 HA GLU 105 3.183 3.848 6.079 380 1HB GLU 105 1HB GLU 105 5.248 3.776 8.310 381 2HB GLU 105 2HB GLU 105 4.661 5.336 7.636 382 1HG GLU 105 1HG GLU 105 2.317 4.786 8.192 383 2HG GLU 105 2HG GLU 105 2.817 3.188 8.864 384 H GLN 106 H GLN 106 6.401 2.557 5.468 385 HA GLN 106 HA GLN 106 7.426 5.001 4.422 386 1HB GLN 106 1HB GLN 106 8.215 2.069 3.905 387 2HB GLN 106 2HB GLN 106 9.074 3.470 3.230 388 1HG GLN 106 1HG GLN 106 8.745 2.823 6.247 389 2HG GLN 106 2HG GLN 106 10.226 2.521 5.262 390 1HE2 GLN 106 2HE2 GLN 106 11.073 4.512 4.014 391 2HE2 GLN 106 1HE2 GLN 106 11.082 6.024 4.858 392 H VAL 107 H VAL 107 5.817 2.083 3.121 393 HA VAL 107 HA VAL 107 6.229 2.820 0.415 394 HB VAL 107 HB VAL 107 4.114 1.002 1.680 395 1HG1 VAL 107 1HG1 VAL 107 4.848 1.495 -1.289 396 2HG1 VAL 107 2HG1 VAL 107 3.881 0.097 -0.694 397 3HG1 VAL 107 3HG1 VAL 107 3.233 1.759 -0.519 398 1HG2 VAL 107 1HG2 VAL 107 6.818 0.519 0.251 399 2HG2 VAL 107 2HG2 VAL 107 6.455 0.217 1.994 400 3HG2 VAL 107 3HG2 VAL 107 5.655 -0.771 0.716 401 H VAL 108 H VAL 108 3.669 3.330 2.797 402 HA VAL 108 HA VAL 108 1.799 4.528 1.127 403 HB VAL 108 HB VAL 108 2.446 4.553 4.103 404 1HG1 VAL 108 1HG1 VAL 108 0.155 6.056 2.686 405 2HG1 VAL 108 2HG1 VAL 108 0.195 5.655 4.449 406 3HG1 VAL 108 3HG1 VAL 108 1.437 6.751 3.767 407 1HG2 VAL 108 1HG2 VAL 108 1.541 2.479 2.969 408 2HG2 VAL 108 2HG2 VAL 108 0.398 3.155 4.186 409 3HG2 VAL 108 3HG2 VAL 108 0.106 3.423 2.425 410 H ASN 109 H ASN 109 4.586 5.816 2.964 411 HA ASN 109 HA ASN 109 3.918 8.503 2.653 412 1HB ASN 109 1HB ASN 109 5.678 7.724 4.269 413 2HB ASN 109 2HB ASN 109 6.719 7.236 2.878 414 1HD2 ASN 109 2HD2 ASN 109 8.159 8.683 2.143 415 2HD2 ASN 109 1HD2 ASN 109 8.123 10.394 2.411 416 H LYS 110 H LYS 110 5.787 6.235 0.587 417 HA LYS 110 HA LYS 110 6.698 8.243 -1.153 418 1HB LYS 110 1HB LYS 110 6.323 5.230 -1.559 419 2HB LYS 110 2HB LYS 110 7.184 6.301 -2.720 420 1HG LYS 110 1HG LYS 110 8.922 6.818 -1.082 421 2HG LYS 110 2HG LYS 110 8.003 6.028 0.236 422 1HD LYS 110 1HD LYS 110 8.165 3.827 -1.051 423 2HD LYS 110 2HD LYS 110 9.341 4.640 -2.147 424 1HE LYS 110 1HE LYS 110 9.644 4.301 0.917 425 2HE LYS 110 2HE LYS 110 10.517 3.350 -0.356 426 1HZ LYS 110 1HZ LYS 110 11.496 5.400 -1.134 427 2HZ LYS 110 2HZ LYS 110 10.680 6.289 0.061 428 3HZ LYS 110 3HZ LYS 110 11.845 5.138 0.508 429 H VAL 111 H VAL 111 3.758 6.216 -1.068 430 HA VAL 111 HA VAL 111 2.919 7.148 -3.694 431 HB VAL 111 HB VAL 111 1.743 5.249 -1.602 432 1HG1 VAL 111 1HG1 VAL 111 0.755 6.005 -4.442 433 2HG1 VAL 111 2HG1 VAL 111 0.242 4.523 -3.563 434 3HG1 VAL 111 3HG1 VAL 111 -0.182 6.144 -2.896 435 1HG2 VAL 111 1HG2 VAL 111 3.865 4.520 -2.910 436 2HG2 VAL 111 2HG2 VAL 111 2.408 3.513 -3.215 437 3HG2 VAL 111 3HG2 VAL 111 2.893 4.747 -4.427 438 H LYS 112 H LYS 112 2.850 8.355 -0.514 439 HA LYS 112 HA LYS 112 0.301 9.593 -0.910 440 1HB LYS 112 1HB LYS 112 0.903 9.076 1.373 441 2HB LYS 112 2HB LYS 112 2.527 9.786 1.195 442 1HG LYS 112 1HG LYS 112 0.003 11.528 1.031 443 2HG LYS 112 2HG LYS 112 0.638 10.962 2.609 444 1HD LYS 112 1HD LYS 112 2.211 12.712 0.627 445 2HD LYS 112 2HD LYS 112 1.390 13.245 2.128 446 1HE LYS 112 1HE LYS 112 2.926 11.825 3.502 447 2HE LYS 112 2HE LYS 112 3.784 11.296 1.995 448 1HZ LYS 112 1HZ LYS 112 3.501 14.098 2.931 449 2HZ LYS 112 2HZ LYS 112 4.879 13.119 3.084 450 3HZ LYS 112 3HZ LYS 112 4.326 13.572 1.543 451 H GLU 113 H GLU 113 3.768 10.405 -1.390 452 HA GLU 113 HA GLU 113 3.007 13.117 -1.919 453 1HB GLU 113 1HB GLU 113 5.306 13.436 -2.664 454 2HB GLU 113 2HB GLU 113 5.142 12.651 -1.029 455 1HG GLU 113 1HG GLU 113 5.735 10.443 -1.950 456 2HG GLU 113 2HG GLU 113 6.075 11.209 -3.556 457 H ALA 114 H ALA 114 3.959 10.309 -3.566 458 HA ALA 114 HA ALA 114 4.053 11.288 -6.167 459 1HB ALA 114 2HB ALA 114 3.293 8.411 -5.389 460 2HB ALA 114 1HB ALA 114 4.980 9.018 -5.618 461 3HB ALA 114 3HB ALA 114 3.842 8.954 -7.017 462 H LEU 115 H LEU 115 1.262 10.001 -4.308 463 HA LEU 115 HA LEU 115 -0.407 10.388 -6.722 464 1HB LEU 115 1HB LEU 115 -0.747 8.194 -5.593 465 2HB LEU 115 2HB LEU 115 -1.108 9.051 -4.069 466 HG LEU 115 HG LEU 115 -2.931 10.322 -5.327 467 1HD1 LEU 115 1HD1 LEU 115 -2.522 8.047 -7.352 468 2HD1 LEU 115 2HD1 LEU 115 -3.960 9.138 -7.301 469 3HD1 LEU 115 3HD1 LEU 115 -2.330 9.815 -7.662 470 1HD2 LEU 115 1HD2 LEU 115 -3.411 8.565 -3.643 471 2HD2 LEU 115 2HD2 LEU 115 -4.586 8.435 -5.006 472 3HD2 LEU 115 3HD2 LEU 115 -3.209 7.274 -4.885 473 H GLN 116 H GLN 116 -0.617 10.784 -3.209 474 HA GLN 116 HA GLN 116 -3.046 11.967 -3.851 475 1HB GLN 116 1HB GLN 116 -2.552 10.411 -1.951 476 2HB GLN 116 2HB GLN 116 -1.782 11.755 -1.057 477 1HG GLN 116 1HG GLN 116 -4.652 12.120 -2.080 478 2HG GLN 116 2HG GLN 116 -4.360 10.976 -0.716 479 1HE2 GLN 116 2HE2 GLN 116 -5.041 14.198 -1.464 480 2HE2 GLN 116 1HE2 GLN 116 -4.532 14.946 0.013 481 H VAL 117 H VAL 117 -0.023 13.321 -2.654 482 HA VAL 117 HA VAL 117 -1.332 15.877 -2.200 483 HB VAL 117 HB VAL 117 1.366 14.783 -1.246 484 1HG1 VAL 117 1HG1 VAL 117 -0.360 17.222 -0.428 485 2HG1 VAL 117 2HG1 VAL 117 1.051 16.606 0.519 486 3HG1 VAL 117 3HG1 VAL 117 1.305 17.265 -1.132 487 1HG2 VAL 117 1HG2 VAL 117 -1.490 14.789 -0.077 488 2HG2 VAL 117 2HG2 VAL 117 -0.464 13.353 -0.420 489 3HG2 VAL 117 3HG2 VAL 117 -0.018 14.470 0.920 490 H GLN 118 H GLN 118 0.289 14.144 -4.502 491 HA GLN 118 HA GLN 118 2.200 15.835 -5.446 492 1HB GLN 118 1HB GLN 118 2.186 14.804 -7.513 493 2HB GLN 118 2HB GLN 118 1.399 13.560 -6.487 494 1HG GLN 118 1HG GLN 118 -0.870 14.456 -7.317 495 2HG GLN 118 2HG GLN 118 0.038 15.520 -8.459 496 1HE2 GLN 118 2HE2 GLN 118 -1.660 12.749 -8.396 497 2HE2 GLN 118 1HE2 GLN 118 -0.827 11.801 -9.582 No H/Q in entry = 497 Start of MODEL 2 1 H1 TRP 59 1H TRP 59 -4.091 -12.007 1.312 2 H2 TRP 59 2H TRP 59 -3.121 -12.738 0.122 3 H3 TRP 59 3H TRP 59 -2.511 -12.506 1.690 4 HA TRP 59 HA TRP 59 -2.601 -10.162 1.427 5 1HB TRP 59 1HB TRP 59 -1.066 -11.411 -0.918 6 2HB TRP 59 2HB TRP 59 -0.714 -9.958 -0.036 7 HD1 TRP 59 HD1 TRP 59 0.560 -10.297 2.377 8 HE1 TRP 59 HE1 TRP 59 1.859 -12.300 3.293 9 HE3 TRP 59 HE3 TRP 59 -1.336 -13.870 -0.677 10 HZ2 TRP 59 HZ2 TRP 59 1.983 -15.086 2.822 11 HZ3 TRP 59 HZ3 TRP 59 -0.614 -16.194 -0.375 12 HH2 TRP 59 HH2 TRP 59 1.012 -16.795 1.348 13 H ILE 60 H ILE 60 -5.031 -9.807 0.921 14 HA ILE 60 HA ILE 60 -5.237 -8.613 -1.671 15 HB ILE 60 HB ILE 60 -7.612 -9.648 -1.883 16 1HG1 ILE 60 1HG1 ILE 60 -7.635 -11.241 -0.003 17 2HG1 ILE 60 2HG1 ILE 60 -7.758 -12.058 -1.611 18 1HG2 ILE 60 1HG2 ILE 60 -5.867 -9.466 -3.569 19 2HG2 ILE 60 2HG2 ILE 60 -5.066 -10.972 -2.978 20 3HG2 ILE 60 3HG2 ILE 60 -6.722 -11.052 -3.693 21 1HD1 ILE 60 1HD1 ILE 60 -5.100 -12.315 -1.243 22 2HD1 ILE 60 2HD1 ILE 60 -5.587 -12.095 0.480 23 3HD1 ILE 60 3HD1 ILE 60 -6.272 -13.477 -0.468 24 H ALA 61 H ALA 61 -7.258 -9.836 1.030 25 HA ALA 61 HA ALA 61 -8.716 -7.340 1.076 26 1HB ALA 61 1HB ALA 61 -8.949 -9.902 2.789 27 2HB ALA 61 3HB ALA 61 -10.007 -9.505 1.384 28 3HB ALA 61 2HB ALA 61 -10.070 -8.488 2.874 29 H ARG 62 H ARG 62 -5.860 -8.665 2.032 30 HA ARG 62 HA ARG 62 -5.599 -7.616 4.646 31 1HB ARG 62 1HB ARG 62 -3.459 -8.252 2.520 32 2HB ARG 62 2HB ARG 62 -3.202 -8.122 4.285 33 1HG ARG 62 1HG ARG 62 -4.995 -10.141 4.366 34 2HG ARG 62 2HG ARG 62 -4.477 -10.349 2.686 35 1HD ARG 62 1HD ARG 62 -2.038 -10.421 3.410 36 2HD ARG 62 2HD ARG 62 -2.581 -10.290 5.143 37 HE ARG 62 HE ARG 62 -3.969 -12.467 3.799 38 1HH1 ARG 62 1HH1 ARG 62 -3.155 -14.659 4.082 39 2HH1 ARG 62 2HH1 ARG 62 -1.561 -14.922 4.705 40 1HH2 ARG 62 1HH2 ARG 62 -0.798 -11.460 5.067 41 2HH2 ARG 62 2HH2 ARG 62 -0.199 -13.070 5.278 42 H ILE 63 H ILE 63 -4.741 -6.649 1.213 43 HA ILE 63 HA ILE 63 -3.560 -4.292 1.827 44 HB ILE 63 HB ILE 63 -5.073 -5.007 -0.739 45 1HG1 ILE 63 1HG1 ILE 63 -2.476 -6.121 0.375 46 2HG1 ILE 63 2HG1 ILE 63 -3.944 -7.078 -0.033 47 1HG2 ILE 63 1HG2 ILE 63 -3.925 -2.769 -0.414 48 2HG2 ILE 63 2HG2 ILE 63 -2.411 -3.678 -0.009 49 3HG2 ILE 63 3HG2 ILE 63 -3.108 -3.756 -1.685 50 1HD1 ILE 63 1HD1 ILE 63 -3.633 -6.567 -2.458 51 2HD1 ILE 63 2HD1 ILE 63 -2.105 -5.677 -2.074 52 3HD1 ILE 63 3HD1 ILE 63 -2.234 -7.437 -1.746 53 H ASN 64 H ASN 64 -6.845 -5.318 0.799 54 HA ASN 64 HA ASN 64 -7.912 -2.828 0.374 55 1HB ASN 64 1HB ASN 64 -8.957 -5.197 -0.020 56 2HB ASN 64 2HB ASN 64 -9.437 -5.159 1.702 57 1HD2 ASN 64 2HD2 ASN 64 -11.419 -4.418 2.121 58 2HD2 ASN 64 1HD2 ASN 64 -12.309 -3.253 1.198 59 H ALA 65 H ALA 65 -7.604 -4.807 3.257 60 HA ALA 65 HA ALA 65 -9.126 -3.004 4.873 61 1HB ALA 65 3HB ALA 65 -8.446 -4.396 6.832 62 2HB ALA 65 2HB ALA 65 -7.283 -5.288 5.776 63 3HB ALA 65 1HB ALA 65 -9.062 -5.431 5.491 64 H ALA 66 H ALA 66 -5.700 -3.248 3.963 65 HA ALA 66 HA ALA 66 -4.862 -1.942 6.349 66 1HB ALA 66 2HB ALA 66 -3.430 -2.227 3.643 67 2HB ALA 66 3HB ALA 66 -2.674 -1.697 5.195 68 3HB ALA 66 1HB ALA 66 -3.288 -3.381 5.027 69 H VAL 67 H VAL 67 -6.034 -0.912 3.136 70 HA VAL 67 HA VAL 67 -4.639 1.580 3.427 71 HB VAL 67 HB VAL 67 -5.392 2.052 1.150 72 1HG1 VAL 67 1HG1 VAL 67 -3.995 -0.650 1.621 73 2HG1 VAL 67 2HG1 VAL 67 -4.019 0.282 0.083 74 3HG1 VAL 67 3HG1 VAL 67 -3.240 0.987 1.552 75 1HG2 VAL 67 1HG2 VAL 67 -6.762 -0.712 1.359 76 2HG2 VAL 67 2HG2 VAL 67 -7.572 0.866 1.097 77 3HG2 VAL 67 3HG2 VAL 67 -6.476 0.194 -0.159 78 H ARG 68 H ARG 68 -7.750 0.262 4.161 79 HA ARG 68 HA ARG 68 -9.086 2.773 3.819 80 1HB ARG 68 1HB ARG 68 -10.943 1.679 5.182 81 2HB ARG 68 2HB ARG 68 -10.549 0.928 3.600 82 1HG ARG 68 1HG ARG 68 -9.144 -0.778 4.771 83 2HG ARG 68 2HG ARG 68 -9.668 -0.128 6.358 84 1HD ARG 68 1HD ARG 68 -11.560 -1.267 4.195 85 2HD ARG 68 2HD ARG 68 -10.951 -2.149 5.666 86 HE ARG 68 HE ARG 68 -12.191 0.432 6.332 87 1HH1 ARG 68 1HH1 ARG 68 -14.187 0.289 7.566 88 2HH1 ARG 68 2HH1 ARG 68 -15.059 -1.207 7.638 89 1HH2 ARG 68 1HH2 ARG 68 -12.774 -3.009 5.587 90 2HH2 ARG 68 2HH2 ARG 68 -14.245 -3.108 6.497 91 H ALA 69 H ALA 69 -8.385 4.415 4.928 92 HA ALA 69 HA ALA 69 -8.379 4.702 7.658 93 1HB ALA 69 1HB ALA 69 -5.617 3.977 6.418 94 2HB ALA 69 2HB ALA 69 -5.816 4.837 7.992 95 3HB ALA 69 3HB ALA 69 -6.379 3.135 7.815 96 H TYR 70 H TYR 70 -6.660 5.060 4.565 97 HA TYR 70 HA TYR 70 -6.086 7.817 5.077 98 1HB TYR 70 1HB TYR 70 -5.661 6.178 2.497 99 2HB TYR 70 2HB TYR 70 -4.801 7.705 2.969 100 HD1 TYR 70 HD1 TYR 70 -4.457 4.289 2.716 101 HD2 TYR 70 HD2 TYR 70 -3.784 7.433 5.525 102 HE1 TYR 70 HE1 TYR 70 -2.845 2.884 3.908 103 HE2 TYR 70 HE2 TYR 70 -2.175 6.014 6.715 104 HH TYR 70 HH TYR 70 -1.468 2.696 5.629 105 H GLY 71 H GLY 71 -8.177 5.762 3.021 106 1HA GLY 71 2HA GLY 71 -9.257 8.181 1.771 107 2HA GLY 71 1HA GLY 71 -10.307 6.865 2.460 108 H LEU 72 H LEU 72 -7.310 5.691 1.464 109 HA LEU 72 HA LEU 72 -7.957 5.130 -1.275 110 1HB LEU 72 1HB LEU 72 -5.983 3.863 0.701 111 2HB LEU 72 2HB LEU 72 -6.041 3.512 -1.066 112 HG LEU 72 HG LEU 72 -5.398 6.235 0.252 113 1HD1 LEU 72 1HD1 LEU 72 -3.597 4.519 0.586 114 2HD1 LEU 72 2HD1 LEU 72 -3.555 4.251 -1.196 115 3HD1 LEU 72 3HD1 LEU 72 -3.069 5.850 -0.517 116 1HD2 LEU 72 1HD2 LEU 72 -5.336 5.367 -2.698 117 2HD2 LEU 72 2HD2 LEU 72 -6.475 6.549 -1.967 118 3HD2 LEU 72 3HD2 LEU 72 -4.715 6.943 -2.068 119 H ASN 73 H ASN 73 -8.708 3.372 -2.126 120 HA ASN 73 HA ASN 73 -10.087 1.658 -0.261 121 1HB ASN 73 1HB ASN 73 -12.108 1.676 -1.727 122 2HB ASN 73 2HB ASN 73 -11.689 3.348 -1.213 123 1HD2 ASN 73 2HD2 ASN 73 -12.633 1.474 -3.799 124 2HD2 ASN 73 1HD2 ASN 73 -12.049 2.428 -5.121 125 H TYR 74 H TYR 74 -7.570 1.381 -1.764 126 HA TYR 74 HA TYR 74 -6.473 -0.365 -2.465 127 1HB TYR 74 1HB TYR 74 -8.080 -2.123 -1.854 128 2HB TYR 74 2HB TYR 74 -9.062 -1.770 -3.329 129 HD1 TYR 74 HD1 TYR 74 -6.130 -3.584 -2.065 130 HD2 TYR 74 HD2 TYR 74 -8.286 -2.284 -5.525 131 HE1 TYR 74 HE1 TYR 74 -4.863 -5.120 -3.453 132 HE2 TYR 74 HE2 TYR 74 -7.024 -3.870 -6.897 133 HH TYR 74 HH TYR 74 -4.491 -5.941 -5.488 134 H SER 75 H SER 75 -8.962 1.276 -4.410 135 HA SER 75 HA SER 75 -7.787 0.274 -6.819 136 1HB SER 75 1HB SER 75 -9.443 1.521 -8.070 137 2HB SER 75 2HB SER 75 -10.276 0.691 -6.697 138 HG SER 75 HG SER 75 -10.867 2.875 -6.986 139 H THR 76 H THR 76 -7.651 3.203 -4.832 140 HA THR 76 HA THR 76 -6.293 4.609 -6.961 141 HB THR 76 HB THR 76 -6.195 6.374 -4.998 142 HG1 THR 76 HG1 THR 76 -8.269 4.551 -4.288 143 1HG2 THR 76 1HG2 THR 76 -7.555 6.561 -7.115 144 2HG2 THR 76 2HG2 THR 76 -8.826 5.500 -6.393 145 3HG2 THR 76 3HG2 THR 76 -8.496 7.127 -5.683 146 H PHE 77 H PHE 77 -5.735 2.701 -4.129 147 HA PHE 77 HA PHE 77 -3.144 3.560 -3.505 148 1HB PHE 77 1HB PHE 77 -4.621 1.923 -2.126 149 2HB PHE 77 2HB PHE 77 -4.324 0.689 -3.385 150 HD1 PHE 77 HD1 PHE 77 -1.876 3.122 -1.776 151 HD2 PHE 77 HD2 PHE 77 -3.111 -0.915 -2.441 152 HE1 PHE 77 HE1 PHE 77 0.027 2.329 -0.483 153 HE2 PHE 77 HE2 PHE 77 -1.195 -1.700 -1.133 154 HZ PHE 77 HZ PHE 77 0.369 -0.078 -0.126 155 H ILE 78 H ILE 78 -4.633 1.171 -5.593 156 HA ILE 78 HA ILE 78 -2.561 -0.215 -6.541 157 HB ILE 78 HB ILE 78 -5.301 0.168 -7.125 158 1HG1 ILE 78 1HG1 ILE 78 -4.195 -1.921 -6.422 159 2HG1 ILE 78 2HG1 ILE 78 -5.240 -2.057 -7.876 160 1HG2 ILE 78 1HG2 ILE 78 -3.698 0.021 -9.754 161 2HG2 ILE 78 2HG2 ILE 78 -5.439 -0.381 -9.538 162 3HG2 ILE 78 3HG2 ILE 78 -4.890 1.290 -9.249 163 1HD1 ILE 78 1HD1 ILE 78 -2.151 -1.918 -7.960 164 2HD1 ILE 78 2HD1 ILE 78 -3.124 -3.428 -8.070 165 3HD1 ILE 78 3HD1 ILE 78 -3.249 -2.184 -9.368 166 H ASN 79 H ASN 79 -3.922 2.846 -7.743 167 HA ASN 79 HA ASN 79 -2.276 2.852 -10.007 168 1HB ASN 79 1HB ASN 79 -3.142 4.784 -10.720 169 2HB ASN 79 2HB ASN 79 -4.540 4.097 -9.790 170 1HD2 ASN 79 2HD2 ASN 79 -5.432 5.438 -8.187 171 2HD2 ASN 79 1HD2 ASN 79 -4.910 7.065 -7.898 172 H GLY 80 H GLY 80 -2.263 4.738 -7.153 173 1HA GLY 80 2HA GLY 80 -0.697 6.080 -6.138 174 2HA GLY 80 1HA GLY 80 -0.112 6.350 -7.813 175 H LEU 81 H LEU 81 -0.039 3.120 -6.470 176 HA LEU 81 HA LEU 81 2.630 3.148 -5.547 177 1HB LEU 81 1HB LEU 81 1.029 1.005 -6.933 178 2HB LEU 81 2HB LEU 81 2.507 0.593 -6.186 179 HG LEU 81 HG LEU 81 0.343 1.878 -4.471 180 1HD1 LEU 81 1HD1 LEU 81 -0.543 -0.236 -5.468 181 2HD1 LEU 81 2HD1 LEU 81 0.940 -1.108 -4.915 182 3HD1 LEU 81 3HD1 LEU 81 -0.211 -0.434 -3.705 183 1HD2 LEU 81 1HD2 LEU 81 2.680 1.994 -3.581 184 2HD2 LEU 81 2HD2 LEU 81 1.608 0.943 -2.587 185 3HD2 LEU 81 3HD2 LEU 81 2.793 0.198 -3.714 186 H LYS 82 H LYS 82 1.142 2.791 -8.802 187 HA LYS 82 HA LYS 82 3.591 1.974 -9.979 188 1HB LYS 82 1HB LYS 82 1.370 1.365 -10.960 189 2HB LYS 82 2HB LYS 82 1.012 3.106 -11.217 190 1HG LYS 82 1HG LYS 82 2.811 3.301 -12.877 191 2HG LYS 82 2HG LYS 82 3.354 1.619 -12.541 192 1HD LYS 82 1HD LYS 82 1.206 0.730 -13.414 193 2HD LYS 82 2HD LYS 82 0.565 2.401 -13.604 194 1HE LYS 82 1HE LYS 82 1.307 1.467 -15.801 195 2HE LYS 82 2HE LYS 82 2.324 2.892 -15.333 196 1HZ LYS 82 1HZ LYS 82 3.043 0.035 -14.941 197 2HZ LYS 82 2HZ LYS 82 3.618 1.057 -16.171 198 3HZ LYS 82 3HZ LYS 82 4.001 1.382 -14.550 199 H LYS 83 H LYS 83 1.928 4.997 -9.260 200 HA LYS 83 HA LYS 83 3.388 6.619 -10.991 201 1HB LYS 83 1HB LYS 83 1.189 7.200 -9.798 202 2HB LYS 83 2HB LYS 83 2.126 7.360 -8.284 203 1HG LYS 83 1HG LYS 83 1.701 9.555 -9.198 204 2HG LYS 83 2HG LYS 83 3.461 9.224 -9.326 205 1HD LYS 83 1HD LYS 83 3.201 8.745 -11.765 206 2HD LYS 83 2HD LYS 83 1.414 8.919 -11.617 207 1HE LYS 83 1HE LYS 83 2.454 10.985 -12.580 208 2HE LYS 83 2HE LYS 83 1.702 11.335 -10.969 209 1HZ LYS 83 1HZ LYS 83 4.582 10.795 -11.473 210 2HZ LYS 83 2HZ LYS 83 3.873 12.314 -11.205 211 3HZ LYS 83 3HZ LYS 83 3.868 11.147 -9.972 212 H ALA 84 H ALA 84 3.976 5.289 -7.734 213 HA ALA 84 HA ALA 84 6.328 6.840 -7.307 214 1HB ALA 84 3HB ALA 84 5.236 6.022 -5.314 215 2HB ALA 84 1HB ALA 84 5.164 4.346 -5.972 216 3HB ALA 84 2HB ALA 84 6.749 5.061 -5.500 217 H GLY 85 H GLY 85 5.723 3.365 -7.895 218 1HA GLY 85 2HA GLY 85 8.455 3.140 -8.914 219 2HA GLY 85 1HA GLY 85 7.019 2.367 -9.708 220 H ILE 86 H ILE 86 5.741 1.829 -7.064 221 HA ILE 86 HA ILE 86 7.468 0.046 -5.703 222 HB ILE 86 HB ILE 86 4.616 0.932 -5.344 223 1HG1 ILE 86 1HG1 ILE 86 6.303 2.699 -4.941 224 2HG1 ILE 86 2HG1 ILE 86 5.514 2.108 -3.457 225 1HG2 ILE 86 1HG2 ILE 86 6.388 -1.053 -3.767 226 2HG2 ILE 86 2HG2 ILE 86 4.982 -0.191 -3.037 227 3HG2 ILE 86 3HG2 ILE 86 4.717 -1.296 -4.424 228 1HD1 ILE 86 1HD1 ILE 86 7.534 0.805 -2.819 229 2HD1 ILE 86 2HD1 ILE 86 8.378 1.394 -4.305 230 3HD1 ILE 86 3HD1 ILE 86 7.884 2.557 -3.028 231 H GLU 87 H GLU 87 4.125 -0.117 -7.071 232 HA GLU 87 HA GLU 87 2.986 -1.603 -8.175 233 1HB GLU 87 1HB GLU 87 5.631 -2.244 -9.592 234 2HB GLU 87 2HB GLU 87 3.989 -2.711 -10.169 235 1HG GLU 87 1HG GLU 87 3.371 -0.315 -10.422 236 2HG GLU 87 2HG GLU 87 5.032 0.178 -9.884 237 H LEU 88 H LEU 88 3.543 -2.600 -5.727 238 HA LEU 88 HA LEU 88 4.760 -5.222 -6.225 239 1HB LEU 88 1HB LEU 88 5.795 -3.044 -4.957 240 2HB LEU 88 2HB LEU 88 5.020 -3.866 -3.561 241 HG LEU 88 HG LEU 88 7.040 -5.136 -5.517 242 1HD1 LEU 88 1HD1 LEU 88 8.055 -3.251 -4.255 243 2HD1 LEU 88 2HD1 LEU 88 7.520 -3.986 -2.696 244 3HD1 LEU 88 3HD1 LEU 88 8.741 -4.835 -3.721 245 1HD2 LEU 88 1HD2 LEU 88 6.024 -6.165 -2.789 246 2HD2 LEU 88 2HD2 LEU 88 5.684 -6.893 -4.407 247 3HD2 LEU 88 3HD2 LEU 88 7.360 -6.895 -3.754 248 H ASP 89 H ASP 89 1.974 -3.476 -5.285 249 HA ASP 89 HA ASP 89 0.978 -5.384 -3.362 250 1HB ASP 89 1HB ASP 89 -1.083 -4.186 -3.380 251 2HB ASP 89 2HB ASP 89 0.150 -2.920 -3.571 252 H ARG 90 H ARG 90 -1.246 -6.105 -3.822 253 HA ARG 90 HA ARG 90 -2.892 -6.622 -5.228 254 1HB ARG 90 1HB ARG 90 -1.700 -6.662 -7.477 255 2HB ARG 90 2HB ARG 90 -0.848 -8.164 -6.959 256 1HG ARG 90 1HG ARG 90 -3.028 -9.371 -6.845 257 2HG ARG 90 2HG ARG 90 -3.900 -7.857 -7.277 258 1HD ARG 90 1HD ARG 90 -2.773 -7.835 -9.514 259 2HD ARG 90 2HD ARG 90 -1.852 -9.340 -9.063 260 HE ARG 90 HE ARG 90 -4.646 -9.825 -8.619 261 1HH1 ARG 90 1HH1 ARG 90 -5.828 -11.055 -10.241 262 2HH1 ARG 90 2HH1 ARG 90 -5.220 -11.167 -11.860 263 1HH2 ARG 90 1HH2 ARG 90 -2.331 -9.178 -11.253 264 2HH2 ARG 90 2HH2 ARG 90 -3.204 -10.085 -12.443 265 H LYS 91 H LYS 91 0.087 -8.079 -4.128 266 HA LYS 91 HA LYS 91 -0.908 -9.477 -2.213 267 1HB LYS 91 1HB LYS 91 -0.168 -11.864 -2.967 268 2HB LYS 91 2HB LYS 91 -1.799 -11.302 -3.424 269 1HG LYS 91 1HG LYS 91 -0.803 -10.630 -5.731 270 2HG LYS 91 2HG LYS 91 0.669 -11.534 -5.230 271 1HD LYS 91 1HD LYS 91 -0.745 -12.971 -6.590 272 2HD LYS 91 2HD LYS 91 -0.799 -13.590 -4.902 273 1HE LYS 91 1HE LYS 91 -3.075 -12.535 -4.583 274 2HE LYS 91 2HE LYS 91 -2.978 -11.839 -6.250 275 1HZ LYS 91 1HZ LYS 91 -2.914 -14.727 -5.548 276 2HZ LYS 91 2HZ LYS 91 -4.243 -13.865 -6.162 277 3HZ LYS 91 3HZ LYS 91 -2.853 -14.075 -7.116 278 H ILE 92 H ILE 92 0.674 -9.428 -0.914 279 HA ILE 92 HA ILE 92 2.524 -9.705 0.012 280 HB ILE 92 HB ILE 92 3.591 -10.562 -2.628 281 1HG1 ILE 92 1HG1 ILE 92 1.588 -11.774 -1.006 282 2HG1 ILE 92 2HG1 ILE 92 2.311 -12.302 -2.530 283 1HG2 ILE 92 1HG2 ILE 92 5.414 -9.950 -0.973 284 2HG2 ILE 92 2HG2 ILE 92 4.639 -10.993 0.269 285 3HG2 ILE 92 3HG2 ILE 92 5.384 -11.720 -1.210 286 1HD1 ILE 92 1HD1 ILE 92 4.123 -13.534 -1.245 287 2HD1 ILE 92 2HD1 ILE 92 3.369 -12.988 0.304 288 3HD1 ILE 92 3HD1 ILE 92 2.474 -14.090 -0.797 289 H LEU 93 H LEU 93 2.202 -7.676 0.292 290 HA LEU 93 HA LEU 93 4.379 -5.969 0.294 291 1HB LEU 93 1HB LEU 93 3.912 -5.221 -1.832 292 2HB LEU 93 2HB LEU 93 2.197 -5.529 -1.616 293 HG LEU 93 HG LEU 93 3.211 -3.326 0.134 294 1HD1 LEU 93 1HD1 LEU 93 4.483 -2.762 -1.818 295 2HD1 LEU 93 2HD1 LEU 93 3.004 -2.815 -2.865 296 3HD1 LEU 93 3HD1 LEU 93 3.157 -1.569 -1.564 297 1HD2 LEU 93 1HD2 LEU 93 0.667 -3.658 -1.564 298 2HD2 LEU 93 2HD2 LEU 93 0.795 -3.667 0.224 299 3HD2 LEU 93 3HD2 LEU 93 1.096 -2.151 -0.676 300 H ALA 94 H ALA 94 1.030 -6.530 -0.207 301 HA ALA 94 HA ALA 94 -0.394 -5.650 1.871 302 1HB ALA 94 1HB ALA 94 -0.753 -7.463 -0.024 303 2HB ALA 94 2HB ALA 94 0.019 -8.592 1.154 304 3HB ALA 94 3HB ALA 94 -1.548 -7.827 1.598 305 H ASP 95 H ASP 95 2.226 -8.106 1.823 306 HA ASP 95 HA ASP 95 1.822 -9.090 4.364 307 1HB ASP 95 1HB ASP 95 3.992 -9.998 4.243 308 2HB ASP 95 2HB ASP 95 3.266 -10.098 2.581 309 H MET 96 H MET 96 3.914 -6.593 3.043 310 HA MET 96 HA MET 96 4.805 -5.850 5.646 311 1HB MET 96 1HB MET 96 6.350 -4.715 4.581 312 2HB MET 96 2HB MET 96 5.487 -4.920 3.046 313 1HG MET 96 1HG MET 96 4.711 -2.643 4.902 314 2HG MET 96 2HG MET 96 6.183 -2.582 3.928 315 1HE MET 96 1HE MET 96 6.575 -2.067 1.778 316 2HE MET 96 2HE MET 96 5.931 -3.650 1.218 317 3HE MET 96 3HE MET 96 5.435 -2.137 0.391 318 H ALA 97 H ALA 97 1.898 -4.999 3.835 319 HA ALA 97 HA ALA 97 1.414 -2.628 5.128 320 1HB ALA 97 1HB ALA 97 0.257 -3.375 3.007 321 2HB ALA 97 2HB ALA 97 -0.712 -4.526 4.005 322 3HB ALA 97 3HB ALA 97 -0.862 -2.748 4.265 323 H VAL 98 H VAL 98 0.907 -5.957 6.197 324 HA VAL 98 HA VAL 98 -0.669 -4.945 8.444 325 HB VAL 98 HB VAL 98 0.017 -7.870 8.056 326 1HG1 VAL 98 1HG1 VAL 98 -0.960 -7.029 10.224 327 2HG1 VAL 98 2HG1 VAL 98 -2.354 -6.330 9.314 328 3HG1 VAL 98 3HG1 VAL 98 -2.099 -8.117 9.351 329 1HG2 VAL 98 1HG2 VAL 98 -2.142 -6.295 6.537 330 2HG2 VAL 98 2HG2 VAL 98 -0.885 -7.445 5.909 331 3HG2 VAL 98 3HG2 VAL 98 -2.251 -8.067 6.872 332 H ARG 99 H ARG 99 2.131 -7.022 7.578 333 HA ARG 99 HA ARG 99 2.708 -7.490 10.285 334 1HB ARG 99 1HB ARG 99 4.232 -8.306 7.733 335 2HB ARG 99 2HB ARG 99 4.657 -8.804 9.395 336 1HG ARG 99 1HG ARG 99 3.574 -10.653 8.797 337 2HG ARG 99 2HG ARG 99 2.184 -9.771 9.508 338 1HD ARG 99 1HD ARG 99 1.225 -9.419 7.228 339 2HD ARG 99 2HD ARG 99 2.792 -9.828 6.453 340 HE ARG 99 HE ARG 99 2.458 -12.102 6.834 341 1HH1 ARG 99 1HH1 ARG 99 1.187 -13.958 7.417 342 2HH1 ARG 99 2HH1 ARG 99 -0.297 -13.764 8.287 343 1HH2 ARG 99 1HH2 ARG 99 -0.100 -10.214 8.473 344 2HH2 ARG 99 2HH2 ARG 99 -1.037 -11.610 8.895 345 H ASP 100 H ASP 100 4.082 -5.229 7.867 346 HA ASP 100 HA ASP 100 6.222 -4.655 9.744 347 1HB ASP 100 1HB ASP 100 6.846 -5.801 7.493 348 2HB ASP 100 2HB ASP 100 6.414 -4.294 6.694 349 HA PRO 101 HA PRO 101 3.498 -1.159 8.687 350 1HB PRO 101 1HB PRO 101 3.311 0.002 11.278 351 2HB PRO 101 2HB PRO 101 2.193 -1.251 10.601 352 1HG PRO 101 1HG PRO 101 4.609 -1.644 12.420 353 2HG PRO 101 2HG PRO 101 2.998 -2.478 12.484 354 1HD PRO 101 1HD PRO 101 5.261 -3.622 11.297 355 2HD PRO 101 2HD PRO 101 3.621 -3.910 10.547 356 H GLN 102 H GLN 102 6.713 -1.331 9.883 357 HA GLN 102 HA GLN 102 7.218 1.458 9.960 358 1HB GLN 102 1HB GLN 102 8.794 -0.134 11.046 359 2HB GLN 102 2HB GLN 102 9.035 -0.984 9.486 360 1HG GLN 102 1HG GLN 102 10.972 0.479 10.060 361 2HG GLN 102 2HG GLN 102 10.189 1.011 8.528 362 1HE2 GLN 102 2HE2 GLN 102 10.036 3.162 8.363 363 2HE2 GLN 102 1HE2 GLN 102 9.729 4.282 9.647 364 H ALA 103 H ALA 103 7.786 -1.221 7.568 365 HA ALA 103 HA ALA 103 8.607 0.589 5.590 366 1HB ALA 103 1HB ALA 103 7.691 -2.334 5.430 367 2HB ALA 103 3HB ALA 103 9.391 -1.750 5.528 368 3HB ALA 103 2HB ALA 103 8.413 -1.415 4.050 369 H PHE 104 H PHE 104 5.469 -1.061 6.356 370 HA PHE 104 HA PHE 104 4.082 -0.181 4.235 371 1HB PHE 104 1HB PHE 104 3.040 -1.466 6.192 372 2HB PHE 104 2HB PHE 104 2.975 0.099 7.089 373 HD1 PHE 104 HD1 PHE 104 2.171 -0.407 3.394 374 HD2 PHE 104 HD2 PHE 104 0.732 0.284 7.359 375 HE1 PHE 104 HE1 PHE 104 -0.043 0.009 2.513 376 HE2 PHE 104 HE2 PHE 104 -1.508 0.691 6.457 377 HZ PHE 104 HZ PHE 104 -1.911 0.567 4.031 378 H GLU 105 H GLU 105 4.680 1.884 7.188 379 HA GLU 105 HA GLU 105 3.123 3.926 6.026 380 1HB GLU 105 1HB GLU 105 5.112 3.979 8.353 381 2HB GLU 105 2HB GLU 105 4.125 5.399 7.857 382 1HG GLU 105 1HG GLU 105 2.981 2.699 8.830 383 2HG GLU 105 2HG GLU 105 3.091 4.219 9.798 384 H GLN 106 H GLN 106 6.397 2.941 5.432 385 HA GLN 106 HA GLN 106 7.311 5.561 4.708 386 1HB GLN 106 1HB GLN 106 8.308 2.717 4.138 387 2HB GLN 106 2HB GLN 106 9.018 4.153 3.349 388 1HG GLN 106 1HG GLN 106 9.634 5.103 5.592 389 2HG GLN 106 2HG GLN 106 8.895 3.670 6.408 390 1HE2 GLN 106 2HE2 GLN 106 10.138 1.895 6.720 391 2HE2 GLN 106 1HE2 GLN 106 11.661 1.570 5.960 392 H VAL 107 H VAL 107 5.773 2.763 3.149 393 HA VAL 107 HA VAL 107 6.278 3.719 0.509 394 HB VAL 107 HB VAL 107 4.521 1.501 1.657 395 1HG1 VAL 107 1HG1 VAL 107 4.977 2.316 -1.293 396 2HG1 VAL 107 2HG1 VAL 107 4.326 0.719 -0.772 397 3HG1 VAL 107 3HG1 VAL 107 3.392 2.210 -0.430 398 1HG2 VAL 107 1HG2 VAL 107 7.032 1.208 1.771 399 2HG2 VAL 107 2HG2 VAL 107 6.303 0.073 0.581 400 3HG2 VAL 107 3HG2 VAL 107 7.148 1.557 0.011 401 H VAL 108 H VAL 108 3.667 3.869 2.900 402 HA VAL 108 HA VAL 108 1.753 4.940 1.110 403 HB VAL 108 HB VAL 108 2.102 4.760 4.137 404 1HG1 VAL 108 1HG1 VAL 108 -0.196 6.145 2.608 405 2HG1 VAL 108 2HG1 VAL 108 -0.264 5.616 4.333 406 3HG1 VAL 108 3HG1 VAL 108 0.903 6.881 3.852 407 1HG2 VAL 108 1HG2 VAL 108 1.530 2.702 2.788 408 2HG2 VAL 108 2HG2 VAL 108 0.181 3.177 3.883 409 3HG2 VAL 108 3HG2 VAL 108 0.087 3.550 2.121 410 H ASN 109 H ASN 109 4.196 6.272 3.365 411 HA ASN 109 HA ASN 109 3.365 8.938 3.114 412 1HB ASN 109 1HB ASN 109 4.920 8.184 4.941 413 2HB ASN 109 2HB ASN 109 6.171 7.798 3.699 414 1HD2 ASN 109 2HD2 ASN 109 7.675 9.316 3.379 415 2HD2 ASN 109 1HD2 ASN 109 7.512 11.014 3.672 416 H LYS 110 H LYS 110 5.400 6.775 1.160 417 HA LYS 110 HA LYS 110 6.574 8.785 -0.371 418 1HB LYS 110 1HB LYS 110 7.404 6.403 -0.336 419 2HB LYS 110 2HB LYS 110 5.944 5.912 -1.260 420 1HG LYS 110 1HG LYS 110 6.629 7.384 -3.155 421 2HG LYS 110 2HG LYS 110 8.033 7.970 -2.192 422 1HD LYS 110 1HD LYS 110 8.931 5.610 -2.131 423 2HD LYS 110 2HD LYS 110 7.537 5.073 -3.136 424 1HE LYS 110 1HE LYS 110 9.538 5.399 -4.572 425 2HE LYS 110 2HE LYS 110 8.312 6.668 -4.974 426 1HZ LYS 110 1HZ LYS 110 10.661 7.003 -3.181 427 2HZ LYS 110 2HZ LYS 110 10.516 7.565 -4.777 428 3HZ LYS 110 3HZ LYS 110 9.512 8.195 -3.560 429 H VAL 111 H VAL 111 3.720 6.663 -0.991 430 HA VAL 111 HA VAL 111 2.905 8.075 -3.387 431 HB VAL 111 HB VAL 111 1.848 5.767 -1.592 432 1HG1 VAL 111 1HG1 VAL 111 0.860 6.670 -4.376 433 2HG1 VAL 111 2HG1 VAL 111 0.538 5.039 -3.676 434 3HG1 VAL 111 3HG1 VAL 111 -0.117 6.494 -2.861 435 1HG2 VAL 111 1HG2 VAL 111 3.378 5.786 -4.271 436 2HG2 VAL 111 2HG2 VAL 111 4.053 5.269 -2.678 437 3HG2 VAL 111 3HG2 VAL 111 2.746 4.311 -3.457 438 H LYS 112 H LYS 112 2.600 9.000 -0.196 439 HA LYS 112 HA LYS 112 0.083 10.184 -0.882 440 1HB LYS 112 1HB LYS 112 0.724 9.834 1.536 441 2HB LYS 112 2HB LYS 112 2.248 10.727 1.254 442 1HG LYS 112 1HG LYS 112 -0.094 12.419 0.649 443 2HG LYS 112 2HG LYS 112 -0.207 11.725 2.299 444 1HD LYS 112 1HD LYS 112 2.274 13.187 1.211 445 2HD LYS 112 2HD LYS 112 0.967 13.968 2.174 446 1HE LYS 112 1HE LYS 112 1.452 12.482 4.117 447 2HE LYS 112 2HE LYS 112 2.780 11.677 3.182 448 1HZ LYS 112 1HZ LYS 112 2.614 14.567 3.850 449 2HZ LYS 112 2HZ LYS 112 3.600 13.408 4.607 450 3HZ LYS 112 3HZ LYS 112 3.856 13.807 2.975 451 H GLU 113 H GLU 113 3.491 11.375 -0.767 452 HA GLU 113 HA GLU 113 2.585 13.758 -2.036 453 1HB GLU 113 1HB GLU 113 4.620 13.460 -0.519 454 2HB GLU 113 2HB GLU 113 5.429 12.579 -1.841 455 1HG GLU 113 1HG GLU 113 5.246 14.570 -3.342 456 2HG GLU 113 2HG GLU 113 4.400 15.480 -2.026 457 H ALA 114 H ALA 114 4.311 10.810 -2.889 458 HA ALA 114 HA ALA 114 4.893 11.544 -5.529 459 1HB ALA 114 2HB ALA 114 4.663 8.665 -4.485 460 2HB ALA 114 3HB ALA 114 5.462 9.182 -6.008 461 3HB ALA 114 1HB ALA 114 6.158 9.674 -4.417 462 H LEU 115 H LEU 115 1.827 10.431 -4.087 463 HA LEU 115 HA LEU 115 0.819 9.585 -6.701 464 1HB LEU 115 1HB LEU 115 -0.362 8.801 -4.733 465 2HB LEU 115 2HB LEU 115 -0.581 10.509 -4.189 466 HG LEU 115 HG LEU 115 -1.785 10.905 -6.357 467 1HD1 LEU 115 1HD1 LEU 115 -1.036 8.910 -7.679 468 2HD1 LEU 115 2HD1 LEU 115 -1.975 7.845 -6.563 469 3HD1 LEU 115 3HD1 LEU 115 -2.830 9.037 -7.599 470 1HD2 LEU 115 1HD2 LEU 115 -2.989 10.622 -4.184 471 2HD2 LEU 115 2HD2 LEU 115 -3.972 9.954 -5.544 472 3HD2 LEU 115 3HD2 LEU 115 -3.071 8.837 -4.448 473 H GLN 116 H GLN 116 0.061 12.232 -4.605 474 HA GLN 116 HA GLN 116 -0.858 13.525 -7.138 475 1HB GLN 116 1HB GLN 116 -2.657 12.645 -5.513 476 2HB GLN 116 2HB GLN 116 -2.116 13.919 -4.377 477 1HG GLN 116 1HG GLN 116 -2.812 15.681 -5.995 478 2HG GLN 116 2HG GLN 116 -3.182 14.418 -7.236 479 1HE2 GLN 116 2HE2 GLN 116 -5.158 13.485 -7.258 480 2HE2 GLN 116 1HE2 GLN 116 -6.376 13.658 -6.038 481 H VAL 117 H VAL 117 0.866 13.838 -4.217 482 HA VAL 117 HA VAL 117 2.102 15.358 -3.323 483 HB VAL 117 HB VAL 117 1.334 17.504 -5.322 484 1HG1 VAL 117 1HG1 VAL 117 3.539 17.097 -3.190 485 2HG1 VAL 117 2HG1 VAL 117 3.515 18.457 -4.380 486 3HG1 VAL 117 3HG1 VAL 117 2.225 18.320 -3.125 487 1HG2 VAL 117 1HG2 VAL 117 2.391 15.439 -6.405 488 2HG2 VAL 117 2HG2 VAL 117 3.524 16.850 -6.394 489 3HG2 VAL 117 3HG2 VAL 117 3.704 15.517 -5.186 490 H GLN 118 H GLN 118 -0.195 14.277 -2.891 491 HA GLN 118 HA GLN 118 -1.704 16.375 -1.516 492 1HB GLN 118 1HB GLN 118 -3.220 14.566 -0.659 493 2HB GLN 118 2HB GLN 118 -3.203 14.683 -2.446 494 1HG GLN 118 1HG GLN 118 -1.678 12.710 -2.594 495 2HG GLN 118 2HG GLN 118 -1.641 12.595 -0.792 496 1HE2 GLN 118 2HE2 GLN 118 -2.964 11.102 0.011 497 2HE2 GLN 118 1HE2 GLN 118 -4.500 10.625 -0.628 No H/Q in entry = 497 Start of MODEL 3 1 H1 TRP 59 1H TRP 59 -4.957 -12.923 -1.042 2 H2 TRP 59 2H TRP 59 -4.363 -13.124 -2.621 3 H3 TRP 59 3H TRP 59 -3.525 -13.796 -1.307 4 HA TRP 59 HA TRP 59 -3.055 -11.636 -0.449 5 1HB TRP 59 1HB TRP 59 -1.714 -10.892 -2.734 6 2HB TRP 59 2HB TRP 59 -1.165 -12.115 -1.629 7 HD1 TRP 59 HD1 TRP 59 -0.788 -14.510 -2.499 8 HE1 TRP 59 HE1 TRP 59 -1.186 -15.701 -4.733 9 HE3 TRP 59 HE3 TRP 59 -3.542 -10.921 -4.787 10 HZ2 TRP 59 HZ2 TRP 59 -2.520 -15.164 -7.162 11 HZ3 TRP 59 HZ3 TRP 59 -4.358 -11.315 -7.063 12 HH2 TRP 59 HH2 TRP 59 -3.848 -13.399 -8.239 13 H ILE 60 H ILE 60 -5.758 -11.322 -0.798 14 HA ILE 60 HA ILE 60 -5.928 -8.777 -2.051 15 HB ILE 60 HB ILE 60 -8.194 -9.790 -3.125 16 1HG1 ILE 60 1HG1 ILE 60 -7.647 -11.963 -4.213 17 2HG1 ILE 60 2HG1 ILE 60 -6.106 -12.049 -3.283 18 1HG2 ILE 60 1HG2 ILE 60 -6.492 -8.340 -4.200 19 2HG2 ILE 60 2HG2 ILE 60 -5.418 -9.765 -4.461 20 3HG2 ILE 60 3HG2 ILE 60 -7.016 -9.682 -5.289 21 1HD1 ILE 60 1HD1 ILE 60 -8.868 -11.857 -1.951 22 2HD1 ILE 60 2HD1 ILE 60 -8.010 -13.436 -2.263 23 3HD1 ILE 60 3HD1 ILE 60 -7.295 -12.185 -1.164 24 H ALA 61 H ALA 61 -7.760 -7.543 -1.793 25 HA ALA 61 HA ALA 61 -9.433 -6.647 -0.790 26 1HB ALA 61 2HB ALA 61 -10.211 -9.367 0.390 27 2HB ALA 61 1HB ALA 61 -10.759 -8.738 -1.211 28 3HB ALA 61 3HB ALA 61 -11.240 -7.893 0.308 29 H ARG 62 H ARG 62 -7.046 -8.267 0.781 30 HA ARG 62 HA ARG 62 -7.610 -7.629 3.481 31 1HB ARG 62 1HB ARG 62 -5.662 -9.163 3.805 32 2HB ARG 62 2HB ARG 62 -6.806 -9.823 2.636 33 1HG ARG 62 1HG ARG 62 -4.875 -10.303 1.522 34 2HG ARG 62 2HG ARG 62 -5.270 -8.757 0.765 35 1HD ARG 62 1HD ARG 62 -2.861 -8.802 1.335 36 2HD ARG 62 2HD ARG 62 -3.661 -7.577 2.371 37 HE ARG 62 HE ARG 62 -2.959 -10.384 3.278 38 1HH1 ARG 62 1HH1 ARG 62 -2.069 -10.498 5.418 39 2HH1 ARG 62 2HH1 ARG 62 -1.946 -9.072 6.393 40 1HH2 ARG 62 1HH2 ARG 62 -3.340 -6.891 3.959 41 2HH2 ARG 62 2HH2 ARG 62 -2.673 -7.004 5.555 42 H ILE 63 H ILE 63 -6.144 -6.248 0.610 43 HA ILE 63 HA ILE 63 -4.257 -4.614 1.946 44 HB ILE 63 HB ILE 63 -5.387 -5.177 -0.839 45 1HG1 ILE 63 1HG1 ILE 63 -2.470 -5.177 -0.026 46 2HG1 ILE 63 2HG1 ILE 63 -3.506 -6.529 0.519 47 1HG2 ILE 63 1HG2 ILE 63 -3.517 -2.902 0.055 48 2HG2 ILE 63 2HG2 ILE 63 -3.624 -3.496 -1.649 49 3HG2 ILE 63 3HG2 ILE 63 -5.083 -2.792 -0.861 50 1HD1 ILE 63 1HD1 ILE 63 -3.180 -5.625 -2.414 51 2HD1 ILE 63 2HD1 ILE 63 -2.340 -7.016 -1.657 52 3HD1 ILE 63 3HD1 ILE 63 -4.134 -7.045 -1.844 53 H ASN 64 H ASN 64 -7.457 -4.722 0.396 54 HA ASN 64 HA ASN 64 -8.045 -2.014 0.459 55 1HB ASN 64 1HB ASN 64 -9.284 -4.211 -0.514 56 2HB ASN 64 2HB ASN 64 -10.129 -4.182 1.063 57 1HD2 ASN 64 2HD2 ASN 64 -11.645 -3.930 -1.196 58 2HD2 ASN 64 1HD2 ASN 64 -12.234 -2.317 -1.401 59 H ALA 65 H ALA 65 -8.000 -4.590 2.785 60 HA ALA 65 HA ALA 65 -9.710 -3.260 4.668 61 1HB ALA 65 1HB ALA 65 -9.539 -5.777 4.660 62 2HB ALA 65 2HB ALA 65 -7.806 -5.631 5.135 63 3HB ALA 65 3HB ALA 65 -9.098 -5.079 6.264 64 H ALA 66 H ALA 66 -6.268 -3.253 3.913 65 HA ALA 66 HA ALA 66 -5.544 -2.282 6.519 66 1HB ALA 66 2HB ALA 66 -3.932 -2.411 3.892 67 2HB ALA 66 3HB ALA 66 -3.259 -2.022 5.517 68 3HB ALA 66 1HB ALA 66 -3.912 -3.671 5.183 69 H VAL 67 H VAL 67 -6.209 -0.982 3.237 70 HA VAL 67 HA VAL 67 -4.846 1.448 3.977 71 HB VAL 67 HB VAL 67 -5.058 2.134 1.666 72 1HG1 VAL 67 1HG1 VAL 67 -3.139 0.766 2.350 73 2HG1 VAL 67 2HG1 VAL 67 -4.046 -0.753 1.985 74 3HG1 VAL 67 3HG1 VAL 67 -3.649 0.393 0.657 75 1HG2 VAL 67 1HG2 VAL 67 -6.684 -0.477 1.318 76 2HG2 VAL 67 2HG2 VAL 67 -7.278 1.190 1.067 77 3HG2 VAL 67 3HG2 VAL 67 -6.022 0.518 -0.023 78 H ARG 68 H ARG 68 -7.889 0.368 4.549 79 HA ARG 68 HA ARG 68 -9.447 2.402 3.405 80 1HB ARG 68 1HB ARG 68 -11.285 1.497 4.774 81 2HB ARG 68 2HB ARG 68 -10.346 0.169 4.024 82 1HG ARG 68 1HG ARG 68 -9.029 -0.001 6.244 83 2HG ARG 68 2HG ARG 68 -10.250 1.117 6.950 84 1HD ARG 68 1HD ARG 68 -12.074 -0.561 6.326 85 2HD ARG 68 2HD ARG 68 -10.771 -1.639 5.669 86 HE ARG 68 HE ARG 68 -10.058 -2.119 7.869 87 1HH1 ARG 68 1HH1 ARG 68 -10.356 -2.155 10.184 88 2HH1 ARG 68 2HH1 ARG 68 -11.462 -1.056 10.938 89 1HH2 ARG 68 1HH2 ARG 68 -12.466 0.527 7.920 90 2HH2 ARG 68 2HH2 ARG 68 -12.672 0.484 9.639 91 H ALA 69 H ALA 69 -7.346 2.351 6.129 92 HA ALA 69 HA ALA 69 -8.717 4.114 7.818 93 1HB ALA 69 2HB ALA 69 -6.435 4.484 8.844 94 2HB ALA 69 1HB ALA 69 -5.692 3.627 7.439 95 3HB ALA 69 3HB ALA 69 -6.750 2.724 8.584 96 H TYR 70 H TYR 70 -6.485 4.499 5.025 97 HA TYR 70 HA TYR 70 -6.048 7.239 5.566 98 1HB TYR 70 1HB TYR 70 -5.599 5.622 2.968 99 2HB TYR 70 2HB TYR 70 -4.897 7.253 3.328 100 HD1 TYR 70 HD1 TYR 70 -4.113 3.929 3.183 101 HD2 TYR 70 HD2 TYR 70 -3.804 7.227 5.877 102 HE1 TYR 70 HE1 TYR 70 -2.233 2.829 4.324 103 HE2 TYR 70 HE2 TYR 70 -1.949 6.114 7.023 104 HH TYR 70 HH TYR 70 -0.739 2.936 5.985 105 H GLY 71 H GLY 71 -8.062 5.341 3.262 106 1HA GLY 71 2HA GLY 71 -9.218 7.878 2.339 107 2HA GLY 71 1HA GLY 71 -10.217 6.430 2.805 108 H LEU 72 H LEU 72 -7.195 5.465 1.724 109 HA LEU 72 HA LEU 72 -7.803 5.240 -1.079 110 1HB LEU 72 1HB LEU 72 -5.926 3.669 0.767 111 2HB LEU 72 2HB LEU 72 -5.934 3.543 -1.028 112 HG LEU 72 HG LEU 72 -5.235 6.066 0.609 113 1HD1 LEU 72 1HD1 LEU 72 -3.541 4.265 0.903 114 2HD1 LEU 72 2HD1 LEU 72 -3.407 4.094 -0.885 115 3HD1 LEU 72 3HD1 LEU 72 -2.884 5.626 -0.088 116 1HD2 LEU 72 1HD2 LEU 72 -5.062 5.459 -2.403 117 2HD2 LEU 72 2HD2 LEU 72 -6.178 6.630 -1.620 118 3HD2 LEU 72 3HD2 LEU 72 -4.397 6.940 -1.598 119 H ASN 73 H ASN 73 -8.380 3.362 -2.107 120 HA ASN 73 HA ASN 73 -9.798 1.561 -0.360 121 1HB ASN 73 1HB ASN 73 -11.764 1.515 -1.907 122 2HB ASN 73 2HB ASN 73 -11.464 3.193 -1.334 123 1HD2 ASN 73 2HD2 ASN 73 -12.267 1.396 -3.980 124 2HD2 ASN 73 1HD2 ASN 73 -11.664 2.392 -5.264 125 H TYR 74 H TYR 74 -7.204 1.447 -1.752 126 HA TYR 74 HA TYR 74 -5.999 -0.187 -2.501 127 1HB TYR 74 1HB TYR 74 -7.660 -1.903 -1.708 128 2HB TYR 74 2HB TYR 74 -8.467 -1.812 -3.313 129 HD1 TYR 74 HD1 TYR 74 -4.805 -1.802 -3.745 130 HD2 TYR 74 HD2 TYR 74 -8.209 -4.244 -2.867 131 HE1 TYR 74 HE1 TYR 74 -3.694 -3.732 -4.690 132 HE2 TYR 74 HE2 TYR 74 -7.036 -6.178 -3.737 133 HH TYR 74 HH TYR 74 -3.765 -5.901 -5.148 134 H SER 75 H SER 75 -8.540 1.416 -4.321 135 HA SER 75 HA SER 75 -7.465 0.542 -6.856 136 1HB SER 75 1HB SER 75 -9.963 0.963 -6.586 137 2HB SER 75 2HB SER 75 -9.586 2.694 -6.229 138 HG SER 75 HG SER 75 -9.160 1.225 -8.606 139 H THR 76 H THR 76 -7.483 3.417 -4.728 140 HA THR 76 HA THR 76 -6.122 4.942 -6.749 141 HB THR 76 HB THR 76 -6.043 6.609 -4.703 142 HG1 THR 76 HG1 THR 76 -7.982 4.650 -3.996 143 1HG2 THR 76 1HG2 THR 76 -8.689 5.688 -6.034 144 2HG2 THR 76 2HG2 THR 76 -8.405 7.281 -5.238 145 3HG2 THR 76 3HG2 THR 76 -7.504 6.852 -6.739 146 H PHE 77 H PHE 77 -5.520 2.969 -3.950 147 HA PHE 77 HA PHE 77 -2.908 3.717 -3.347 148 1HB PHE 77 1HB PHE 77 -4.437 2.039 -2.056 149 2HB PHE 77 2HB PHE 77 -4.159 0.876 -3.383 150 HD1 PHE 77 HD1 PHE 77 -3.126 -0.814 -2.347 151 HD2 PHE 77 HD2 PHE 77 -1.553 3.117 -1.750 152 HE1 PHE 77 HE1 PHE 77 -1.212 -1.753 -1.148 153 HE2 PHE 77 HE2 PHE 77 0.355 2.167 -0.574 154 HZ PHE 77 HZ PHE 77 0.541 -0.266 -0.255 155 H ILE 78 H ILE 78 -4.477 1.475 -5.560 156 HA ILE 78 HA ILE 78 -2.381 0.138 -6.557 157 HB ILE 78 HB ILE 78 -5.137 0.411 -7.155 158 1HG1 ILE 78 1HG1 ILE 78 -3.080 -1.649 -8.056 159 2HG1 ILE 78 2HG1 ILE 78 -3.663 -1.537 -6.360 160 1HG2 ILE 78 1HG2 ILE 78 -3.417 0.229 -9.711 161 2HG2 ILE 78 2HG2 ILE 78 -5.174 -0.115 -9.570 162 3HG2 ILE 78 3HG2 ILE 78 -4.594 1.544 -9.286 163 1HD1 ILE 78 1HD1 ILE 78 -6.024 -1.940 -7.140 164 2HD1 ILE 78 2HD1 ILE 78 -5.415 -2.182 -8.823 165 3HD1 ILE 78 3HD1 ILE 78 -4.918 -3.312 -7.508 166 H ASN 79 H ASN 79 -3.683 3.321 -7.535 167 HA ASN 79 HA ASN 79 -2.176 3.364 -9.908 168 1HB ASN 79 1HB ASN 79 -2.984 5.414 -10.444 169 2HB ASN 79 2HB ASN 79 -4.368 4.630 -9.567 170 1HD2 ASN 79 2HD2 ASN 79 -5.443 5.893 -8.170 171 2HD2 ASN 79 1HD2 ASN 79 -4.920 7.439 -7.590 172 H GLY 80 H GLY 80 -1.998 5.118 -6.947 173 1HA GLY 80 2HA GLY 80 -0.342 6.493 -6.067 174 2HA GLY 80 1HA GLY 80 0.211 6.621 -7.762 175 H LEU 81 H LEU 81 0.165 3.425 -6.319 176 HA LEU 81 HA LEU 81 2.847 3.343 -5.455 177 1HB LEU 81 1HB LEU 81 1.224 1.251 -6.915 178 2HB LEU 81 2HB LEU 81 2.695 0.842 -6.166 179 HG LEU 81 HG LEU 81 0.563 2.018 -4.369 180 1HD1 LEU 81 1HD1 LEU 81 1.035 -0.900 -5.224 181 2HD1 LEU 81 2HD1 LEU 81 0.037 -0.403 -3.799 182 3HD1 LEU 81 3HD1 LEU 81 -0.464 0.064 -5.475 183 1HD2 LEU 81 1HD2 LEU 81 2.934 1.948 -3.535 184 2HD2 LEU 81 2HD2 LEU 81 1.851 0.840 -2.618 185 3HD2 LEU 81 3HD2 LEU 81 2.973 0.175 -3.858 186 H LYS 82 H LYS 82 1.247 2.751 -8.641 187 HA LYS 82 HA LYS 82 3.562 1.911 -9.938 188 1HB LYS 82 1HB LYS 82 1.229 1.454 -10.762 189 2HB LYS 82 2HB LYS 82 0.998 3.209 -11.044 190 1HG LYS 82 1HG LYS 82 2.757 3.199 -12.794 191 2HG LYS 82 2HG LYS 82 3.054 1.448 -12.502 192 1HD LYS 82 1HD LYS 82 0.710 0.937 -13.182 193 2HD LYS 82 2HD LYS 82 0.381 2.689 -13.427 194 1HE LYS 82 1HE LYS 82 2.497 1.060 -14.997 195 2HE LYS 82 2HE LYS 82 0.840 1.478 -15.596 196 1HZ LYS 82 1HZ LYS 82 2.939 3.425 -14.798 197 2HZ LYS 82 2HZ LYS 82 2.519 2.991 -16.385 198 3HZ LYS 82 3HZ LYS 82 1.394 3.792 -15.400 199 H LYS 83 H LYS 83 2.106 5.067 -9.282 200 HA LYS 83 HA LYS 83 3.539 6.485 -11.199 201 1HB LYS 83 1HB LYS 83 1.422 7.261 -10.006 202 2HB LYS 83 2HB LYS 83 2.368 7.444 -8.505 203 1HG LYS 83 1HG LYS 83 2.006 9.611 -9.632 204 2HG LYS 83 2HG LYS 83 3.761 9.229 -9.596 205 1HD LYS 83 1HD LYS 83 3.686 8.600 -11.995 206 2HD LYS 83 2HD LYS 83 1.890 8.728 -12.000 207 1HE LYS 83 1HE LYS 83 2.942 10.731 -13.062 208 2HE LYS 83 2HE LYS 83 2.055 11.195 -11.551 209 1HZ LYS 83 1HZ LYS 83 4.155 11.160 -10.382 210 2HZ LYS 83 2HZ LYS 83 4.982 10.742 -11.804 211 3HZ LYS 83 3HZ LYS 83 4.190 12.240 -11.692 212 H ALA 84 H ALA 84 4.198 5.457 -7.842 213 HA ALA 84 HA ALA 84 6.559 7.004 -7.623 214 1HB ALA 84 3HB ALA 84 5.393 6.224 -5.566 215 2HB ALA 84 1HB ALA 84 5.665 4.513 -6.059 216 3HB ALA 84 2HB ALA 84 7.070 5.563 -5.646 217 H GLY 85 H GLY 85 5.773 3.607 -8.495 218 1HA GLY 85 2HA GLY 85 8.516 3.335 -9.492 219 2HA GLY 85 1HA GLY 85 7.021 2.689 -10.288 220 H ILE 86 H ILE 86 5.791 2.029 -7.667 221 HA ILE 86 HA ILE 86 7.531 -0.047 -6.669 222 HB ILE 86 HB ILE 86 4.991 1.324 -5.646 223 1HG1 ILE 86 1HG1 ILE 86 7.914 1.352 -4.667 224 2HG1 ILE 86 2HG1 ILE 86 7.076 2.691 -5.521 225 1HG2 ILE 86 1HG2 ILE 86 6.612 -1.048 -4.514 226 2HG2 ILE 86 2HG2 ILE 86 5.436 -0.091 -3.538 227 3HG2 ILE 86 3HG2 ILE 86 4.856 -0.979 -4.958 228 1HD1 ILE 86 1HD1 ILE 86 5.388 2.799 -3.623 229 2HD1 ILE 86 2HD1 ILE 86 6.391 1.597 -2.722 230 3HD1 ILE 86 3HD1 ILE 86 7.078 3.201 -3.137 231 H GLU 87 H GLU 87 4.052 0.574 -7.428 232 HA GLU 87 HA GLU 87 2.488 -0.551 -8.394 233 1HB GLU 87 1HB GLU 87 4.148 -0.248 -10.365 234 2HB GLU 87 2HB GLU 87 4.566 -1.974 -10.114 235 1HG GLU 87 1HG GLU 87 2.044 -2.505 -10.488 236 2HG GLU 87 2HG GLU 87 1.824 -0.765 -10.905 237 H LEU 88 H LEU 88 3.311 -1.611 -5.970 238 HA LEU 88 HA LEU 88 3.392 -4.503 -6.451 239 1HB LEU 88 1HB LEU 88 5.443 -2.905 -5.687 240 2HB LEU 88 2HB LEU 88 4.757 -3.236 -4.069 241 HG LEU 88 HG LEU 88 5.566 -5.390 -6.134 242 1HD1 LEU 88 1HD1 LEU 88 7.530 -3.988 -5.535 243 2HD1 LEU 88 2HD1 LEU 88 7.212 -4.266 -3.780 244 3HD1 LEU 88 3HD1 LEU 88 7.685 -5.649 -4.841 245 1HD2 LEU 88 1HD2 LEU 88 5.074 -5.599 -3.099 246 2HD2 LEU 88 2HD2 LEU 88 4.003 -6.247 -4.403 247 3HD2 LEU 88 3HD2 LEU 88 5.648 -6.938 -4.162 248 H ASP 89 H ASP 89 1.792 -5.621 -5.433 249 HA ASP 89 HA ASP 89 0.708 -4.618 -2.904 250 1HB ASP 89 1HB ASP 89 -1.169 -5.655 -5.085 251 2HB ASP 89 2HB ASP 89 -1.571 -4.996 -3.463 252 H ARG 90 H ARG 90 -1.268 -6.879 -3.518 253 HA ARG 90 HA ARG 90 -1.467 -8.912 -3.050 254 1HB ARG 90 1HB ARG 90 1.516 -9.388 -3.582 255 2HB ARG 90 2HB ARG 90 0.369 -10.661 -3.104 256 1HG ARG 90 1HG ARG 90 -1.105 -9.993 -5.079 257 2HG ARG 90 2HG ARG 90 0.246 -8.955 -5.654 258 1HD ARG 90 1HD ARG 90 1.716 -10.964 -5.883 259 2HD ARG 90 2HD ARG 90 0.418 -12.004 -5.138 260 HE ARG 90 HE ARG 90 -0.576 -10.491 -7.438 261 1HH1 ARG 90 1HH1 ARG 90 -1.054 -11.760 -9.363 262 2HH1 ARG 90 2HH1 ARG 90 -0.404 -13.356 -9.532 263 1HH2 ARG 90 1HH2 ARG 90 1.316 -13.336 -6.416 264 2HH2 ARG 90 2HH2 ARG 90 0.961 -14.264 -7.837 265 H LYS 91 H LYS 91 -0.396 -10.617 -1.224 266 HA LYS 91 HA LYS 91 -0.037 -8.979 1.143 267 1HB LYS 91 1HB LYS 91 -0.794 -10.680 2.550 268 2HB LYS 91 2HB LYS 91 -1.965 -10.631 1.190 269 1HG LYS 91 1HG LYS 91 -0.979 -12.737 0.263 270 2HG LYS 91 2HG LYS 91 0.215 -12.754 1.602 271 1HD LYS 91 1HD LYS 91 -1.553 -14.255 2.212 272 2HD LYS 91 2HD LYS 91 -1.667 -12.803 3.266 273 1HE LYS 91 1HE LYS 91 -3.599 -11.959 1.742 274 2HE LYS 91 2HE LYS 91 -3.482 -13.524 0.871 275 1HZ LYS 91 1HZ LYS 91 -3.985 -13.205 3.780 276 2HZ LYS 91 2HZ LYS 91 -5.144 -13.552 2.588 277 3HZ LYS 91 3HZ LYS 91 -3.912 -14.669 2.924 278 H ILE 92 H ILE 92 1.573 -9.846 -1.180 279 HA ILE 92 HA ILE 92 3.854 -10.969 0.238 280 HB ILE 92 HB ILE 92 3.293 -10.346 -2.733 281 1HG1 ILE 92 1HG1 ILE 92 3.358 -13.056 -1.264 282 2HG1 ILE 92 2HG1 ILE 92 1.893 -12.216 -1.880 283 1HG2 ILE 92 1HG2 ILE 92 5.694 -11.786 -1.382 284 2HG2 ILE 92 2HG2 ILE 92 5.436 -11.669 -3.161 285 3HG2 ILE 92 3HG2 ILE 92 5.751 -10.188 -2.220 286 1HD1 ILE 92 1HD1 ILE 92 2.816 -12.362 -4.233 287 2HD1 ILE 92 2HD1 ILE 92 4.162 -13.382 -3.599 288 3HD1 ILE 92 3HD1 ILE 92 2.463 -13.953 -3.465 289 H LEU 93 H LEU 93 2.014 -8.239 -0.518 290 HA LEU 93 HA LEU 93 4.485 -6.552 0.085 291 1HB LEU 93 1HB LEU 93 3.588 -5.502 -1.621 292 2HB LEU 93 2HB LEU 93 1.920 -5.912 -1.142 293 HG LEU 93 HG LEU 93 2.859 -3.927 0.773 294 1HD1 LEU 93 1HD1 LEU 93 3.417 -3.105 -2.101 295 2HD1 LEU 93 2HD1 LEU 93 3.336 -2.017 -0.668 296 3HD1 LEU 93 3HD1 LEU 93 4.610 -3.300 -0.778 297 1HD2 LEU 93 1HD2 LEU 93 0.450 -4.388 -0.112 298 2HD2 LEU 93 2HD2 LEU 93 0.979 -2.700 0.222 299 3HD2 LEU 93 3HD2 LEU 93 0.918 -3.285 -1.464 300 H ALA 94 H ALA 94 1.124 -7.081 0.496 301 HA ALA 94 HA ALA 94 0.898 -5.240 2.592 302 1HB ALA 94 1HB ALA 94 -0.863 -5.911 0.890 303 2HB ALA 94 2HB ALA 94 -1.089 -7.415 1.917 304 3HB ALA 94 3HB ALA 94 -1.432 -5.811 2.651 305 H ASP 95 H ASP 95 2.325 -8.225 2.561 306 HA ASP 95 HA ASP 95 1.714 -9.023 5.161 307 1HB ASP 95 1HB ASP 95 3.931 -9.970 5.185 308 2HB ASP 95 2HB ASP 95 3.140 -10.313 3.610 309 H MET 96 H MET 96 3.842 -6.760 3.500 310 HA MET 96 HA MET 96 4.968 -5.904 6.030 311 1HB MET 96 1HB MET 96 6.551 -5.274 4.478 312 2HB MET 96 2HB MET 96 5.314 -5.027 3.238 313 1HG MET 96 1HG MET 96 4.641 -2.831 4.168 314 2HG MET 96 2HG MET 96 6.026 -2.972 5.288 315 1HE MET 96 1HE MET 96 4.696 -3.153 1.753 316 2HE MET 96 2HE MET 96 4.718 -1.461 2.358 317 3HE MET 96 3HE MET 96 5.690 -1.914 0.916 318 H ALA 97 H ALA 97 1.983 -5.092 4.336 319 HA ALA 97 HA ALA 97 1.721 -2.517 5.206 320 1HB ALA 97 1HB ALA 97 0.157 -3.426 3.521 321 2HB ALA 97 2HB ALA 97 -0.537 -4.533 4.770 322 3HB ALA 97 3HB ALA 97 -0.744 -2.751 4.929 323 H VAL 98 H VAL 98 0.867 -5.582 6.883 324 HA VAL 98 HA VAL 98 -0.211 -3.968 9.056 325 HB VAL 98 HB VAL 98 -0.154 -6.916 9.205 326 1HG1 VAL 98 1HG1 VAL 98 -1.300 -5.444 10.885 327 2HG1 VAL 98 2HG1 VAL 98 -2.371 -4.789 9.588 328 3HG1 VAL 98 3HG1 VAL 98 -2.485 -6.528 10.063 329 1HG2 VAL 98 1HG2 VAL 98 -1.793 -5.549 6.986 330 2HG2 VAL 98 2HG2 VAL 98 -0.553 -6.871 6.831 331 3HG2 VAL 98 3HG2 VAL 98 -2.113 -7.200 7.633 332 H ARG 99 H ARG 99 2.195 -6.440 8.109 333 HA ARG 99 HA ARG 99 2.811 -6.920 10.846 334 1HB ARG 99 1HB ARG 99 3.985 -8.263 8.347 335 2HB ARG 99 2HB ARG 99 4.271 -8.721 10.045 336 1HG ARG 99 1HG ARG 99 2.748 -10.295 9.379 337 2HG ARG 99 2HG ARG 99 1.731 -9.122 10.275 338 1HD ARG 99 1HD ARG 99 0.749 -8.329 8.044 339 2HD ARG 99 2HD ARG 99 1.909 -9.341 7.166 340 HE ARG 99 HE ARG 99 0.709 -11.246 7.659 341 1HH1 ARG 99 1HH1 ARG 99 -1.223 -12.352 8.314 342 2HH1 ARG 99 2HH1 ARG 99 -2.352 -11.586 9.381 343 1HH2 ARG 99 1HH2 ARG 99 -0.508 -8.565 9.694 344 2HH2 ARG 99 2HH2 ARG 99 -1.941 -9.412 10.174 345 H ASP 100 H ASP 100 4.270 -5.070 8.163 346 HA ASP 100 HA ASP 100 6.486 -4.490 9.946 347 1HB ASP 100 1HB ASP 100 7.008 -5.792 7.754 348 2HB ASP 100 2HB ASP 100 6.630 -4.321 6.876 349 HA PRO 101 HA PRO 101 3.825 -0.983 8.660 350 1HB PRO 101 1HB PRO 101 3.467 0.271 11.158 351 2HB PRO 101 2HB PRO 101 2.447 -1.102 10.561 352 1HG PRO 101 1HG PRO 101 4.874 -1.210 12.418 353 2HG PRO 101 2HG PRO 101 3.291 -2.082 12.583 354 1HD PRO 101 1HD PRO 101 5.585 -3.263 11.451 355 2HD PRO 101 2HD PRO 101 3.928 -3.662 10.785 356 H GLN 102 H GLN 102 6.970 -1.202 9.977 357 HA GLN 102 HA GLN 102 7.519 1.578 10.100 358 1HB GLN 102 1HB GLN 102 8.980 -0.096 11.269 359 2HB GLN 102 2HB GLN 102 9.335 -0.882 9.697 360 1HG GLN 102 1HG GLN 102 11.234 0.531 10.462 361 2HG GLN 102 2HG GLN 102 10.557 1.177 8.923 362 1HE2 GLN 102 2HE2 GLN 102 10.423 3.334 8.903 363 2HE2 GLN 102 1HE2 GLN 102 10.058 4.365 10.246 364 H ALA 103 H ALA 103 7.808 -1.113 7.663 365 HA ALA 103 HA ALA 103 9.059 0.722 5.848 366 1HB ALA 103 1HB ALA 103 8.218 -2.220 5.556 367 2HB ALA 103 3HB ALA 103 9.880 -1.629 5.931 368 3HB ALA 103 2HB ALA 103 9.142 -1.277 4.321 369 H PHE 104 H PHE 104 5.911 -1.044 6.352 370 HA PHE 104 HA PHE 104 4.663 -0.115 4.136 371 1HB PHE 104 1HB PHE 104 3.532 -1.465 5.974 372 2HB PHE 104 2HB PHE 104 3.416 0.056 6.941 373 HD1 PHE 104 HD1 PHE 104 2.765 -0.738 3.280 374 HD2 PHE 104 HD2 PHE 104 1.284 0.726 7.013 375 HE1 PHE 104 HE1 PHE 104 0.592 -0.324 2.253 376 HE2 PHE 104 HE2 PHE 104 -0.914 1.085 5.982 377 HZ PHE 104 HZ PHE 104 -1.268 0.566 3.603 378 H GLU 105 H GLU 105 5.236 1.852 7.157 379 HA GLU 105 HA GLU 105 3.564 3.893 6.286 380 1HB GLU 105 1HB GLU 105 4.385 3.477 8.662 381 2HB GLU 105 2HB GLU 105 5.957 4.206 8.169 382 1HG GLU 105 1HG GLU 105 4.726 6.367 7.649 383 2HG GLU 105 2HG GLU 105 3.173 5.565 8.127 384 H GLN 106 H GLN 106 6.952 3.156 5.555 385 HA GLN 106 HA GLN 106 7.643 5.747 4.652 386 1HB GLN 106 1HB GLN 106 8.725 2.930 4.126 387 2HB GLN 106 2HB GLN 106 9.444 4.382 3.369 388 1HG GLN 106 1HG GLN 106 10.059 5.303 5.583 389 2HG GLN 106 2HG GLN 106 9.135 4.006 6.432 390 1HE2 GLN 106 2HE2 GLN 106 11.344 3.742 7.461 391 2HE2 GLN 106 1HE2 GLN 106 12.458 2.646 6.711 392 H VAL 107 H VAL 107 6.288 2.802 3.184 393 HA VAL 107 HA VAL 107 6.590 3.676 0.508 394 HB VAL 107 HB VAL 107 4.873 1.548 1.865 395 1HG1 VAL 107 1HG1 VAL 107 4.909 2.349 -1.119 396 2HG1 VAL 107 2HG1 VAL 107 4.324 0.758 -0.506 397 3HG1 VAL 107 3HG1 VAL 107 3.472 2.261 -0.027 398 1HG2 VAL 107 1HG2 VAL 107 7.272 1.529 -0.092 399 2HG2 VAL 107 2HG2 VAL 107 7.331 1.133 1.667 400 3HG2 VAL 107 3HG2 VAL 107 6.432 0.065 0.525 401 H VAL 108 H VAL 108 4.017 3.833 2.954 402 HA VAL 108 HA VAL 108 2.024 4.883 1.326 403 HB VAL 108 HB VAL 108 2.650 4.782 4.296 404 1HG1 VAL 108 1HG1 VAL 108 0.243 6.207 2.995 405 2HG1 VAL 108 2HG1 VAL 108 0.324 5.668 4.716 406 3HG1 VAL 108 3HG1 VAL 108 1.470 6.915 4.132 407 1HG2 VAL 108 1HG2 VAL 108 1.915 2.739 3.000 408 2HG2 VAL 108 2HG2 VAL 108 0.702 3.230 4.240 409 3HG2 VAL 108 3HG2 VAL 108 0.419 3.609 2.500 410 H ASN 109 H ASN 109 4.619 6.353 3.270 411 HA ASN 109 HA ASN 109 3.648 8.961 3.141 412 1HB ASN 109 1HB ASN 109 5.415 8.254 4.776 413 2HB ASN 109 2HB ASN 109 6.554 7.966 3.405 414 1HD2 ASN 109 2HD2 ASN 109 8.033 9.555 3.265 415 2HD2 ASN 109 1HD2 ASN 109 7.753 11.246 3.509 416 H LYS 110 H LYS 110 5.831 7.063 0.997 417 HA LYS 110 HA LYS 110 6.476 9.318 -0.568 418 1HB LYS 110 1HB LYS 110 7.906 7.271 -0.370 419 2HB LYS 110 2HB LYS 110 6.649 6.330 -1.243 420 1HG LYS 110 1HG LYS 110 7.024 7.637 -3.294 421 2HG LYS 110 2HG LYS 110 8.047 8.820 -2.405 422 1HD LYS 110 1HD LYS 110 9.424 7.318 -3.779 423 2HD LYS 110 2HD LYS 110 9.788 7.104 -2.031 424 1HE LYS 110 1HE LYS 110 8.484 4.983 -1.977 425 2HE LYS 110 2HE LYS 110 7.956 5.245 -3.690 426 1HZ LYS 110 1HZ LYS 110 10.257 5.130 -4.358 427 2HZ LYS 110 2HZ LYS 110 10.753 4.885 -2.751 428 3HZ LYS 110 3HZ LYS 110 9.786 3.726 -3.528 429 H VAL 111 H VAL 111 3.932 6.827 -0.683 430 HA VAL 111 HA VAL 111 3.085 7.650 -3.326 431 HB VAL 111 HB VAL 111 2.390 5.421 -1.342 432 1HG1 VAL 111 1HG1 VAL 111 0.936 6.012 -3.997 433 2HG1 VAL 111 2HG1 VAL 111 0.910 4.418 -3.155 434 3HG1 VAL 111 3HG1 VAL 111 0.205 5.862 -2.351 435 1HG2 VAL 111 1HG2 VAL 111 4.503 5.254 -2.712 436 2HG2 VAL 111 2HG2 VAL 111 3.293 4.015 -3.221 437 3HG2 VAL 111 3HG2 VAL 111 3.529 5.499 -4.214 438 H LYS 112 H LYS 112 2.574 8.841 -0.226 439 HA LYS 112 HA LYS 112 -0.099 9.611 -0.844 440 1HB LYS 112 1HB LYS 112 0.680 9.603 1.497 441 2HB LYS 112 2HB LYS 112 2.053 10.670 1.095 442 1HG LYS 112 1HG LYS 112 -0.806 11.639 0.661 443 2HG LYS 112 2HG LYS 112 -0.163 11.560 2.334 444 1HD LYS 112 1HD LYS 112 1.402 13.075 0.175 445 2HD LYS 112 2HD LYS 112 -0.032 13.793 0.990 446 1HE LYS 112 1HE LYS 112 1.914 14.577 2.175 447 2HE LYS 112 2HE LYS 112 1.096 13.370 3.248 448 1HZ LYS 112 1HZ LYS 112 2.708 11.735 2.501 449 2HZ LYS 112 2HZ LYS 112 3.468 12.893 1.519 450 3HZ LYS 112 3HZ LYS 112 3.464 13.084 3.207 451 H GLU 113 H GLU 113 3.159 10.614 -1.602 452 HA GLU 113 HA GLU 113 2.326 13.225 -2.502 453 1HB GLU 113 1HB GLU 113 5.002 11.715 -2.429 454 2HB GLU 113 2HB GLU 113 4.782 13.409 -2.941 455 1HG GLU 113 1HG GLU 113 3.873 13.935 -0.616 456 2HG GLU 113 2HG GLU 113 4.083 12.201 -0.171 457 H ALA 114 H ALA 114 3.416 10.149 -3.604 458 HA ALA 114 HA ALA 114 3.684 10.909 -6.354 459 1HB ALA 114 2HB ALA 114 3.234 8.057 -5.308 460 2HB ALA 114 1HB ALA 114 4.862 8.831 -5.448 461 3HB ALA 114 3HB ALA 114 3.866 8.529 -6.921 462 H LEU 115 H LEU 115 1.091 9.966 -4.163 463 HA LEU 115 HA LEU 115 -0.868 9.495 -6.280 464 1HB LEU 115 1HB LEU 115 -1.261 8.501 -4.080 465 2HB LEU 115 2HB LEU 115 -1.166 10.143 -3.338 466 HG LEU 115 HG LEU 115 -3.027 10.842 -4.782 467 1HD1 LEU 115 1HD1 LEU 115 -3.319 7.841 -5.468 468 2HD1 LEU 115 2HD1 LEU 115 -4.581 9.089 -5.784 469 3HD1 LEU 115 3HD1 LEU 115 -2.997 9.189 -6.626 470 1HD2 LEU 115 1HD2 LEU 115 -3.372 10.129 -2.390 471 2HD2 LEU 115 2HD2 LEU 115 -4.821 9.700 -3.382 472 3HD2 LEU 115 3HD2 LEU 115 -3.623 8.428 -2.934 473 H GLN 116 H GLN 116 0.562 11.974 -4.333 474 HA GLN 116 HA GLN 116 0.578 14.156 -4.461 475 1HB GLN 116 1HB GLN 116 1.123 13.655 -6.917 476 2HB GLN 116 2HB GLN 116 -0.576 14.107 -7.285 477 1HG GLN 116 1HG GLN 116 -0.138 16.406 -6.298 478 2HG GLN 116 2HG GLN 116 1.564 15.901 -5.942 479 1HE2 GLN 116 2HE2 GLN 116 -0.586 17.233 -8.278 480 2HE2 GLN 116 1HE2 GLN 116 0.437 17.147 -9.673 481 H VAL 117 H VAL 117 -1.264 13.254 -2.976 482 HA VAL 117 HA VAL 117 -3.566 15.014 -3.408 483 HB VAL 117 HB VAL 117 -3.078 12.475 -1.818 484 1HG1 VAL 117 1HG1 VAL 117 -5.151 14.648 -1.082 485 2HG1 VAL 117 2HG1 VAL 117 -5.192 12.942 -0.501 486 3HG1 VAL 117 3HG1 VAL 117 -3.824 14.005 -0.030 487 1HG2 VAL 117 1HG2 VAL 117 -4.171 12.502 -4.100 488 2HG2 VAL 117 2HG2 VAL 117 -5.326 11.960 -2.821 489 3HG2 VAL 117 3HG2 VAL 117 -5.424 13.635 -3.479 490 H GLN 118 H GLN 118 -0.453 14.503 -2.353 491 HA GLN 118 HA GLN 118 -0.264 15.919 -0.004 492 1HB GLN 118 1HB GLN 118 2.005 16.537 -0.523 493 2HB GLN 118 2HB GLN 118 1.731 14.876 -1.149 494 1HG GLN 118 1HG GLN 118 1.425 15.813 -3.471 495 2HG GLN 118 2HG GLN 118 1.729 17.476 -2.844 496 1HE2 GLN 118 2HE2 GLN 118 3.231 15.746 -4.801 497 2HE2 GLN 118 1HE2 GLN 118 4.861 15.688 -4.213 No H/Q in entry = 497 Start of MODEL 4 1 H1 TRP 59 1H TRP 59 -3.872 -12.259 0.551 2 H2 TRP 59 2H TRP 59 -2.753 -12.682 -0.654 3 H3 TRP 59 3H TRP 59 -2.351 -12.878 0.985 4 HA TRP 59 HA TRP 59 -2.449 -10.543 1.324 5 1HB TRP 59 1HB TRP 59 -0.605 -11.384 -0.993 6 2HB TRP 59 2HB TRP 59 -0.394 -9.940 0.007 7 HD1 TRP 59 HD1 TRP 59 0.199 -10.347 2.697 8 HE1 TRP 59 HE1 TRP 59 1.489 -12.254 3.800 9 HE3 TRP 59 HE3 TRP 59 -0.226 -13.790 -1.005 10 HZ2 TRP 59 HZ2 TRP 59 2.205 -14.910 3.182 11 HZ3 TRP 59 HZ3 TRP 59 0.755 -16.011 -0.674 12 HH2 TRP 59 HH2 TRP 59 1.951 -16.566 1.385 13 H ILE 60 H ILE 60 -4.649 -9.910 0.765 14 HA ILE 60 HA ILE 60 -4.834 -8.529 -1.715 15 HB ILE 60 HB ILE 60 -7.251 -9.882 -1.731 16 1HG1 ILE 60 1HG1 ILE 60 -6.567 -12.231 -2.186 17 2HG1 ILE 60 2HG1 ILE 60 -4.913 -11.894 -1.579 18 1HG2 ILE 60 1HG2 ILE 60 -6.010 -8.789 -3.567 19 2HG2 ILE 60 2HG2 ILE 60 -4.747 -10.081 -3.509 20 3HG2 ILE 60 3HG2 ILE 60 -6.438 -10.492 -3.989 21 1HD1 ILE 60 1HD1 ILE 60 -7.520 -11.635 0.046 22 2HD1 ILE 60 2HD1 ILE 60 -6.312 -12.988 0.188 23 3HD1 ILE 60 3HD1 ILE 60 -5.860 -11.300 0.654 24 H ALA 61 H ALA 61 -6.956 -9.786 0.887 25 HA ALA 61 HA ALA 61 -8.518 -7.382 0.718 26 1HB ALA 61 1HB ALA 61 -8.716 -9.838 2.575 27 2HB ALA 61 3HB ALA 61 -9.663 -9.618 1.055 28 3HB ALA 61 2HB ALA 61 -9.942 -8.517 2.458 29 H ARG 62 H ARG 62 -5.710 -8.547 2.267 30 HA ARG 62 HA ARG 62 -6.091 -7.089 4.694 31 1HB ARG 62 1HB ARG 62 -3.350 -7.447 4.443 32 2HB ARG 62 2HB ARG 62 -4.484 -8.495 5.363 33 1HG ARG 62 1HG ARG 62 -4.640 -10.027 3.364 34 2HG ARG 62 2HG ARG 62 -3.615 -8.883 2.437 35 1HD ARG 62 1HD ARG 62 -2.248 -10.805 3.316 36 2HD ARG 62 2HD ARG 62 -1.718 -9.228 4.033 37 HE ARG 62 HE ARG 62 -3.734 -10.618 5.663 38 1HH1 ARG 62 1HH1 ARG 62 -2.966 -11.677 7.620 39 2HH1 ARG 62 2HH1 ARG 62 -1.270 -11.936 7.858 40 1HH2 ARG 62 1HH2 ARG 62 -0.275 -10.465 4.779 41 2HH2 ARG 62 2HH2 ARG 62 0.275 -11.239 6.228 42 H ILE 63 H ILE 63 -4.991 -6.354 1.342 43 HA ILE 63 HA ILE 63 -3.574 -4.096 1.999 44 HB ILE 63 HB ILE 63 -5.086 -4.888 -0.558 45 1HG1 ILE 63 1HG1 ILE 63 -2.289 -5.715 0.341 46 2HG1 ILE 63 2HG1 ILE 63 -3.703 -6.829 0.313 47 1HG2 ILE 63 1HG2 ILE 63 -2.557 -3.306 0.134 48 2HG2 ILE 63 2HG2 ILE 63 -3.170 -3.567 -1.556 49 3HG2 ILE 63 3HG2 ILE 63 -4.133 -2.587 -0.395 50 1HD1 ILE 63 1HD1 ILE 63 -2.479 -5.475 -2.168 51 2HD1 ILE 63 2HD1 ILE 63 -2.276 -7.186 -1.681 52 3HD1 ILE 63 3HD1 ILE 63 -3.904 -6.571 -2.156 53 H ASN 64 H ASN 64 -6.891 -5.039 1.010 54 HA ASN 64 HA ASN 64 -7.847 -2.477 0.508 55 1HB ASN 64 1HB ASN 64 -8.911 -4.826 -0.006 56 2HB ASN 64 2HB ASN 64 -9.487 -4.811 1.690 57 1HD2 ASN 64 2HD2 ASN 64 -11.460 -4.001 2.027 58 2HD2 ASN 64 1HD2 ASN 64 -12.277 -2.814 1.067 59 H ALA 65 H ALA 65 -7.561 -4.549 3.280 60 HA ALA 65 HA ALA 65 -9.117 -2.903 5.022 61 1HB ALA 65 2HB ALA 65 -8.262 -4.389 6.869 62 2HB ALA 65 3HB ALA 65 -8.870 -5.373 5.484 63 3HB ALA 65 1HB ALA 65 -7.095 -5.129 5.708 64 H ALA 66 H ALA 66 -5.721 -2.969 3.981 65 HA ALA 66 HA ALA 66 -4.825 -1.610 6.309 66 1HB ALA 66 2HB ALA 66 -3.555 -1.773 3.509 67 2HB ALA 66 3HB ALA 66 -2.738 -1.214 5.015 68 3HB ALA 66 1HB ALA 66 -3.259 -2.933 4.854 69 H VAL 67 H VAL 67 -5.969 -0.626 3.011 70 HA VAL 67 HA VAL 67 -4.780 1.925 3.441 71 HB VAL 67 HB VAL 67 -5.363 2.346 1.100 72 1HG1 VAL 67 1HG1 VAL 67 -3.227 1.280 1.695 73 2HG1 VAL 67 2HG1 VAL 67 -3.987 -0.355 1.609 74 3HG1 VAL 67 3HG1 VAL 67 -3.879 0.659 0.130 75 1HG2 VAL 67 1HG2 VAL 67 -6.706 -0.438 1.262 76 2HG2 VAL 67 2HG2 VAL 67 -7.514 1.119 0.902 77 3HG2 VAL 67 3HG2 VAL 67 -6.320 0.439 -0.254 78 H ARG 68 H ARG 68 -7.756 0.633 4.274 79 HA ARG 68 HA ARG 68 -9.363 2.718 3.197 80 1HB ARG 68 1HB ARG 68 -11.228 1.628 4.452 81 2HB ARG 68 2HB ARG 68 -10.319 0.503 3.396 82 1HG ARG 68 1HG ARG 68 -8.999 -0.275 5.384 83 2HG ARG 68 2HG ARG 68 -10.019 0.747 6.455 84 1HD ARG 68 1HD ARG 68 -11.096 -1.472 4.584 85 2HD ARG 68 2HD ARG 68 -10.745 -1.685 6.356 86 HE ARG 68 HE ARG 68 -12.451 0.614 6.015 87 1HH1 ARG 68 1HH1 ARG 68 -14.695 0.354 6.666 88 2HH1 ARG 68 2HH1 ARG 68 -15.403 -1.226 6.739 89 1HH2 ARG 68 1HH2 ARG 68 -12.459 -2.941 5.710 90 2HH2 ARG 68 2HH2 ARG 68 -14.113 -3.124 6.188 91 H ALA 69 H ALA 69 -7.159 2.731 5.709 92 HA ALA 69 HA ALA 69 -8.636 4.344 7.534 93 1HB ALA 69 1HB ALA 69 -5.596 4.144 7.034 94 2HB ALA 69 2HB ALA 69 -6.374 4.983 8.427 95 3HB ALA 69 3HB ALA 69 -6.506 3.192 8.267 96 H TYR 70 H TYR 70 -6.690 4.775 4.554 97 HA TYR 70 HA TYR 70 -6.260 7.520 5.082 98 1HB TYR 70 1HB TYR 70 -5.857 5.940 2.460 99 2HB TYR 70 2HB TYR 70 -5.095 7.532 2.879 100 HD1 TYR 70 HD1 TYR 70 -4.374 4.245 2.525 101 HD2 TYR 70 HD2 TYR 70 -4.058 7.287 5.505 102 HE1 TYR 70 HE1 TYR 70 -2.610 2.964 3.653 103 HE2 TYR 70 HE2 TYR 70 -2.315 5.995 6.633 104 HH TYR 70 HH TYR 70 -1.211 2.852 5.390 105 H GLY 71 H GLY 71 -8.265 5.617 2.757 106 1HA GLY 71 2HA GLY 71 -9.301 8.148 1.751 107 2HA GLY 71 1HA GLY 71 -10.423 6.822 2.304 108 H LEU 72 H LEU 72 -7.347 5.788 1.247 109 HA LEU 72 HA LEU 72 -7.997 5.351 -1.519 110 1HB LEU 72 1HB LEU 72 -5.998 4.031 0.398 111 2HB LEU 72 2HB LEU 72 -6.031 3.764 -1.380 112 HG LEU 72 HG LEU 72 -5.453 6.432 0.067 113 1HD1 LEU 72 1HD1 LEU 72 -3.628 4.738 0.330 114 2HD1 LEU 72 2HD1 LEU 72 -3.566 4.554 -1.463 115 3HD1 LEU 72 3HD1 LEU 72 -3.116 6.128 -0.707 116 1HD2 LEU 72 1HD2 LEU 72 -5.402 5.698 -2.920 117 2HD2 LEU 72 2HD2 LEU 72 -6.525 6.856 -2.127 118 3HD2 LEU 72 3HD2 LEU 72 -4.764 7.244 -2.229 119 H ASN 73 H ASN 73 -8.610 3.510 -2.453 120 HA ASN 73 HA ASN 73 -9.996 1.781 -0.605 121 1HB ASN 73 1HB ASN 73 -11.945 1.679 -2.154 122 2HB ASN 73 2HB ASN 73 -11.616 3.384 -1.685 123 1HD2 ASN 73 2HD2 ASN 73 -12.424 1.416 -4.221 124 2HD2 ASN 73 1HD2 ASN 73 -11.809 2.325 -5.561 125 H TYR 74 H TYR 74 -7.389 1.520 -1.921 126 HA TYR 74 HA TYR 74 -6.198 -0.142 -2.604 127 1HB TYR 74 1HB TYR 74 -7.390 -1.940 -1.695 128 2HB TYR 74 2HB TYR 74 -8.761 -1.764 -2.836 129 HD1 TYR 74 HD1 TYR 74 -8.560 -2.336 -5.171 130 HD2 TYR 74 HD2 TYR 74 -5.668 -3.514 -2.256 131 HE1 TYR 74 HE1 TYR 74 -7.815 -4.158 -6.629 132 HE2 TYR 74 HE2 TYR 74 -4.897 -5.283 -3.740 133 HH TYR 74 HH TYR 74 -5.140 -6.322 -5.683 134 H SER 75 H SER 75 -8.693 1.334 -4.537 135 HA SER 75 HA SER 75 -7.574 0.342 -7.007 136 1HB SER 75 1HB SER 75 -10.082 0.684 -6.810 137 2HB SER 75 2HB SER 75 -9.777 2.442 -6.521 138 HG SER 75 HG SER 75 -9.267 0.888 -8.823 139 H THR 76 H THR 76 -7.765 3.395 -5.102 140 HA THR 76 HA THR 76 -6.324 4.781 -7.173 141 HB THR 76 HB THR 76 -6.365 6.607 -5.301 142 HG1 THR 76 HG1 THR 76 -8.263 4.684 -4.413 143 1HG2 THR 76 1HG2 THR 76 -7.813 6.600 -7.365 144 2HG2 THR 76 2HG2 THR 76 -8.974 5.487 -6.548 145 3HG2 THR 76 3HG2 THR 76 -8.737 7.162 -5.920 146 H PHE 77 H PHE 77 -5.811 2.937 -4.287 147 HA PHE 77 HA PHE 77 -3.223 3.801 -3.643 148 1HB PHE 77 1HB PHE 77 -4.747 2.199 -2.272 149 2HB PHE 77 2HB PHE 77 -4.467 0.968 -3.531 150 HD1 PHE 77 HD1 PHE 77 -3.375 -0.664 -2.575 151 HD2 PHE 77 HD2 PHE 77 -1.907 3.303 -1.951 152 HE1 PHE 77 HE1 PHE 77 -1.467 -1.550 -1.342 153 HE2 PHE 77 HE2 PHE 77 -0.003 2.408 -0.724 154 HZ PHE 77 HZ PHE 77 0.227 -0.019 -0.390 155 H ILE 78 H ILE 78 -4.713 1.417 -5.753 156 HA ILE 78 HA ILE 78 -2.579 0.015 -6.596 157 HB ILE 78 HB ILE 78 -5.295 0.223 -7.303 158 1HG1 ILE 78 1HG1 ILE 78 -3.141 -1.812 -8.060 159 2HG1 ILE 78 2HG1 ILE 78 -3.878 -1.657 -6.425 160 1HG2 ILE 78 1HG2 ILE 78 -4.699 1.335 -9.455 161 2HG2 ILE 78 2HG2 ILE 78 -3.519 0.005 -9.824 162 3HG2 ILE 78 3HG2 ILE 78 -5.281 -0.327 -9.712 163 1HD1 ILE 78 1HD1 ILE 78 -6.145 -2.123 -7.402 164 2HD1 ILE 78 2HD1 ILE 78 -5.379 -2.423 -9.011 165 3HD1 ILE 78 3HD1 ILE 78 -4.986 -3.489 -7.612 166 H ASN 79 H ASN 79 -3.811 3.156 -7.796 167 HA ASN 79 HA ASN 79 -2.105 3.047 -10.060 168 1HB ASN 79 1HB ASN 79 -2.877 5.092 -10.794 169 2HB ASN 79 2HB ASN 79 -4.324 4.258 -10.074 170 1HD2 ASN 79 2HD2 ASN 79 -2.090 7.002 -10.027 171 2HD2 ASN 79 1HD2 ASN 79 -3.016 8.014 -8.970 172 H GLY 80 H GLY 80 -2.277 4.968 -7.223 173 1HA GLY 80 2HA GLY 80 -0.771 6.348 -6.150 174 2HA GLY 80 1HA GLY 80 -0.083 6.559 -7.792 175 H LEU 81 H LEU 81 -0.089 3.367 -6.390 176 HA LEU 81 HA LEU 81 2.507 3.366 -5.265 177 1HB LEU 81 1HB LEU 81 0.991 1.263 -6.806 178 2HB LEU 81 2HB LEU 81 2.473 0.862 -6.080 179 HG LEU 81 HG LEU 81 0.334 1.938 -4.233 180 1HD1 LEU 81 1HD1 LEU 81 -0.601 -0.037 -5.449 181 2HD1 LEU 81 2HD1 LEU 81 0.896 -0.973 -5.073 182 3HD1 LEU 81 3HD1 LEU 81 -0.206 -0.467 -3.741 183 1HD2 LEU 81 1HD2 LEU 81 2.764 1.866 -3.465 184 2HD2 LEU 81 2HD2 LEU 81 1.694 0.757 -2.527 185 3HD2 LEU 81 3HD2 LEU 81 2.779 0.099 -3.804 186 H LYS 82 H LYS 82 1.229 2.706 -8.560 187 HA LYS 82 HA LYS 82 3.725 1.927 -9.574 188 1HB LYS 82 1HB LYS 82 1.339 1.352 -10.425 189 2HB LYS 82 2HB LYS 82 1.290 3.006 -11.118 190 1HG LYS 82 1HG LYS 82 3.272 2.443 -12.561 191 2HG LYS 82 2HG LYS 82 3.343 0.809 -11.806 192 1HD LYS 82 1HD LYS 82 1.052 0.307 -12.691 193 2HD LYS 82 2HD LYS 82 0.964 1.956 -13.401 194 1HE LYS 82 1HE LYS 82 1.541 0.290 -15.154 195 2HE LYS 82 2HE LYS 82 2.946 1.401 -14.883 196 1HZ LYS 82 1HZ LYS 82 2.604 -1.315 -13.718 197 2HZ LYS 82 2HZ LYS 82 3.605 -0.895 -15.024 198 3HZ LYS 82 3HZ LYS 82 3.926 -0.279 -13.473 199 H LYS 83 H LYS 83 2.053 4.948 -9.071 200 HA LYS 83 HA LYS 83 3.433 6.452 -10.995 201 1HB LYS 83 1HB LYS 83 1.187 6.973 -9.876 202 2HB LYS 83 2HB LYS 83 2.085 7.419 -8.396 203 1HG LYS 83 1HG LYS 83 3.165 9.294 -9.558 204 2HG LYS 83 2HG LYS 83 2.595 8.698 -11.161 205 1HD LYS 83 1HD LYS 83 0.236 9.107 -10.535 206 2HD LYS 83 2HD LYS 83 0.737 9.622 -8.890 207 1HE LYS 83 1HE LYS 83 2.041 11.549 -9.921 208 2HE LYS 83 2HE LYS 83 1.408 11.059 -11.548 209 1HZ LYS 83 1HZ LYS 83 -0.830 11.347 -10.666 210 2HZ LYS 83 2HZ LYS 83 -0.196 11.866 -9.177 211 3HZ LYS 83 3HZ LYS 83 0.084 12.778 -10.582 212 H ALA 84 H ALA 84 3.952 5.497 -7.594 213 HA ALA 84 HA ALA 84 6.281 7.098 -7.288 214 1HB ALA 84 3HB ALA 84 5.047 6.329 -5.265 215 2HB ALA 84 1HB ALA 84 5.380 4.621 -5.720 216 3HB ALA 84 2HB ALA 84 6.741 5.710 -5.267 217 H GLY 85 H GLY 85 5.602 3.651 -8.070 218 1HA GLY 85 2HA GLY 85 8.319 3.471 -9.144 219 2HA GLY 85 1HA GLY 85 6.834 2.685 -9.825 220 H ILE 86 H ILE 86 5.706 2.086 -7.203 221 HA ILE 86 HA ILE 86 7.608 0.279 -6.027 222 HB ILE 86 HB ILE 86 4.933 1.497 -5.171 223 1HG1 ILE 86 1HG1 ILE 86 7.807 1.906 -4.122 224 2HG1 ILE 86 2HG1 ILE 86 6.932 3.036 -5.206 225 1HG2 ILE 86 1HG2 ILE 86 6.758 -0.558 -3.761 226 2HG2 ILE 86 2HG2 ILE 86 5.473 0.386 -2.916 227 3HG2 ILE 86 3HG2 ILE 86 5.016 -0.727 -4.232 228 1HD1 ILE 86 1HD1 ILE 86 5.093 3.192 -3.402 229 2HD1 ILE 86 2HD1 ILE 86 6.261 2.372 -2.290 230 3HD1 ILE 86 3HD1 ILE 86 6.677 3.959 -3.026 231 H GLU 87 H GLU 87 4.145 0.549 -6.948 232 HA GLU 87 HA GLU 87 2.626 -0.976 -7.200 233 1HB GLU 87 1HB GLU 87 3.287 -0.230 -9.518 234 2HB GLU 87 2HB GLU 87 4.309 -1.692 -9.639 235 1HG GLU 87 1HG GLU 87 2.289 -2.167 -10.824 236 2HG GLU 87 2HG GLU 87 2.126 -3.084 -9.283 237 H LEU 88 H LEU 88 3.083 -2.150 -5.296 238 HA LEU 88 HA LEU 88 4.566 -4.620 -5.796 239 1HB LEU 88 1HB LEU 88 5.733 -2.690 -4.624 240 2HB LEU 88 2HB LEU 88 4.494 -2.782 -3.349 241 HG LEU 88 HG LEU 88 5.238 -5.186 -2.866 242 1HD1 LEU 88 1HD1 LEU 88 7.574 -4.471 -4.755 243 2HD1 LEU 88 2HD1 LEU 88 7.487 -5.915 -3.677 244 3HD1 LEU 88 3HD1 LEU 88 6.325 -5.743 -5.041 245 1HD2 LEU 88 1HD2 LEU 88 5.979 -3.272 -1.472 246 2HD2 LEU 88 2HD2 LEU 88 7.276 -4.517 -1.611 247 3HD2 LEU 88 3HD2 LEU 88 7.383 -2.994 -2.573 248 H ASP 89 H ASP 89 1.630 -3.104 -4.857 249 HA ASP 89 HA ASP 89 0.687 -5.128 -3.046 250 1HB ASP 89 1HB ASP 89 -1.464 -4.090 -3.203 251 2HB ASP 89 2HB ASP 89 -0.338 -2.745 -3.308 252 H ARG 90 H ARG 90 -1.498 -5.949 -3.667 253 HA ARG 90 HA ARG 90 -2.976 -6.777 -4.928 254 1HB ARG 90 1HB ARG 90 -2.022 -6.041 -7.159 255 2HB ARG 90 2HB ARG 90 -0.955 -7.491 -7.134 256 1HG ARG 90 1HG ARG 90 -2.925 -8.984 -7.239 257 2HG ARG 90 2HG ARG 90 -4.034 -7.581 -7.043 258 1HD ARG 90 1HD ARG 90 -3.951 -8.329 -9.418 259 2HD ARG 90 2HD ARG 90 -3.237 -6.662 -9.266 260 HE ARG 90 HE ARG 90 -1.106 -8.532 -8.955 261 1HH1 ARG 90 1HH1 ARG 90 0.247 -9.064 -10.809 262 2HH1 ARG 90 2HH1 ARG 90 -0.344 -8.804 -12.417 263 1HH2 ARG 90 1HH2 ARG 90 -3.504 -7.526 -11.398 264 2HH2 ARG 90 2HH2 ARG 90 -2.503 -7.919 -12.756 265 H LYS 91 H LYS 91 0.201 -7.741 -4.072 266 HA LYS 91 HA LYS 91 -0.501 -9.811 -2.628 267 1HB LYS 91 1HB LYS 91 -0.135 -10.709 -5.388 268 2HB LYS 91 2HB LYS 91 1.425 -11.007 -4.564 269 1HG LYS 91 1HG LYS 91 0.204 -13.037 -4.417 270 2HG LYS 91 2HG LYS 91 0.137 -12.312 -2.776 271 1HD LYS 91 1HD LYS 91 -2.180 -11.421 -3.324 272 2HD LYS 91 2HD LYS 91 -2.080 -12.217 -4.929 273 1HE LYS 91 1HE LYS 91 -2.039 -13.645 -2.183 274 2HE LYS 91 2HE LYS 91 -3.442 -13.546 -3.318 275 1HZ LYS 91 1HZ LYS 91 -0.804 -14.785 -3.911 276 2HZ LYS 91 2HZ LYS 91 -2.239 -15.609 -3.525 277 3HZ LYS 91 3HZ LYS 91 -2.136 -14.704 -4.959 278 H ILE 92 H ILE 92 0.819 -9.339 -1.089 279 HA ILE 92 HA ILE 92 2.560 -9.443 0.038 280 HB ILE 92 HB ILE 92 4.006 -10.042 -2.495 281 1HG1 ILE 92 1HG1 ILE 92 1.929 -11.511 -1.149 282 2HG1 ILE 92 2HG1 ILE 92 2.778 -11.820 -2.673 283 1HG2 ILE 92 1HG2 ILE 92 5.538 -9.420 -0.573 284 2HG2 ILE 92 2HG2 ILE 92 4.708 -10.622 0.476 285 3HG2 ILE 92 3HG2 ILE 92 5.693 -11.161 -0.938 286 1HD1 ILE 92 1HD1 ILE 92 4.605 -13.051 -1.416 287 2HD1 ILE 92 2HD1 ILE 92 3.700 -12.767 0.128 288 3HD1 ILE 92 3HD1 ILE 92 2.980 -13.777 -1.174 289 H LEU 93 H LEU 93 2.201 -7.509 0.563 290 HA LEU 93 HA LEU 93 4.158 -5.562 0.621 291 1HB LEU 93 1HB LEU 93 3.565 -4.774 -1.440 292 2HB LEU 93 2HB LEU 93 1.935 -5.400 -1.288 293 HG LEU 93 HG LEU 93 2.457 -3.131 0.606 294 1HD1 LEU 93 1HD1 LEU 93 3.783 -2.358 -1.250 295 2HD1 LEU 93 2HD1 LEU 93 2.367 -2.494 -2.369 296 3HD1 LEU 93 3HD1 LEU 93 2.323 -1.333 -0.984 297 1HD2 LEU 93 1HD2 LEU 93 0.146 -3.851 -1.301 298 2HD2 LEU 93 2HD2 LEU 93 0.148 -3.928 0.481 299 3HD2 LEU 93 3HD2 LEU 93 0.221 -2.332 -0.314 300 H ALA 94 H ALA 94 0.877 -6.489 0.143 301 HA ALA 94 HA ALA 94 -0.552 -5.685 2.274 302 1HB ALA 94 1HB ALA 94 -0.834 -7.459 0.245 303 2HB ALA 94 2HB ALA 94 -0.314 -8.622 1.571 304 3HB ALA 94 3HB ALA 94 -1.828 -7.686 1.788 305 H ASP 95 H ASP 95 2.104 -8.110 2.052 306 HA ASP 95 HA ASP 95 1.695 -9.218 4.548 307 1HB ASP 95 1HB ASP 95 3.897 -10.074 4.384 308 2HB ASP 95 2HB ASP 95 3.150 -10.149 2.739 309 H MET 96 H MET 96 3.747 -6.657 3.260 310 HA MET 96 HA MET 96 4.768 -6.072 5.825 311 1HB MET 96 1HB MET 96 6.304 -5.232 4.369 312 2HB MET 96 2HB MET 96 5.058 -5.080 3.099 313 1HG MET 96 1HG MET 96 4.291 -2.901 4.038 314 2HG MET 96 2HG MET 96 5.678 -2.995 5.171 315 1HE MET 96 1HE MET 96 4.351 -3.221 1.715 316 2HE MET 96 2HE MET 96 4.419 -1.479 2.160 317 3HE MET 96 3HE MET 96 5.360 -2.089 0.752 318 H ALA 97 H ALA 97 1.744 -5.124 4.313 319 HA ALA 97 HA ALA 97 1.283 -2.808 5.767 320 1HB ALA 97 1HB ALA 97 -0.168 -3.556 3.839 321 2HB ALA 97 2HB ALA 97 -0.785 -4.896 4.879 322 3HB ALA 97 3HB ALA 97 -1.111 -3.186 5.336 323 H VAL 98 H VAL 98 0.933 -6.267 6.598 324 HA VAL 98 HA VAL 98 -0.371 -5.502 9.066 325 HB VAL 98 HB VAL 98 0.442 -8.304 8.214 326 1HG1 VAL 98 1HG1 VAL 98 -1.658 -7.125 10.164 327 2HG1 VAL 98 2HG1 VAL 98 -1.435 -8.878 9.807 328 3HG1 VAL 98 3HG1 VAL 98 -0.126 -7.962 10.628 329 1HG2 VAL 98 1HG2 VAL 98 -2.060 -6.710 7.427 330 2HG2 VAL 98 2HG2 VAL 98 -0.874 -7.591 6.370 331 3HG2 VAL 98 3HG2 VAL 98 -1.970 -8.514 7.434 332 H ARG 99 H ARG 99 2.466 -7.580 8.017 333 HA ARG 99 HA ARG 99 3.228 -7.663 10.692 334 1HB ARG 99 1HB ARG 99 5.215 -8.958 9.576 335 2HB ARG 99 2HB ARG 99 3.599 -9.707 9.901 336 1HG ARG 99 1HG ARG 99 4.382 -8.617 7.154 337 2HG ARG 99 2HG ARG 99 4.903 -10.219 7.723 338 1HD ARG 99 1HD ARG 99 1.899 -9.525 7.279 339 2HD ARG 99 2HD ARG 99 2.972 -10.450 6.241 340 HE ARG 99 HE ARG 99 3.137 -12.241 7.789 341 1HH1 ARG 99 1HH1 ARG 99 1.892 -13.646 9.197 342 2HH1 ARG 99 2HH1 ARG 99 0.573 -12.994 10.111 343 1HH2 ARG 99 1HH2 ARG 99 0.920 -9.680 8.919 344 2HH2 ARG 99 2HH2 ARG 99 0.016 -10.732 9.954 345 H ASP 100 H ASP 100 4.339 -5.661 8.025 346 HA ASP 100 HA ASP 100 6.502 -4.767 9.765 347 1HB ASP 100 1HB ASP 100 7.114 -5.951 7.505 348 2HB ASP 100 2HB ASP 100 6.541 -4.517 6.693 349 HA PRO 101 HA PRO 101 3.519 -1.500 8.541 350 1HB PRO 101 1HB PRO 101 3.029 -0.337 11.066 351 2HB PRO 101 2HB PRO 101 2.133 -1.768 10.408 352 1HG PRO 101 1HG PRO 101 4.513 -1.749 12.323 353 2HG PRO 101 2HG PRO 101 3.001 -2.750 12.411 354 1HD PRO 101 1HD PRO 101 5.424 -3.687 11.329 355 2HD PRO 101 2HD PRO 101 3.844 -4.235 10.609 356 H GLN 102 H GLN 102 6.642 -1.453 9.961 357 HA GLN 102 HA GLN 102 7.014 1.350 10.078 358 1HB GLN 102 1HB GLN 102 8.570 -0.289 11.203 359 2HB GLN 102 2HB GLN 102 8.984 -0.968 9.595 360 1HG GLN 102 1HG GLN 102 10.016 1.254 8.939 361 2HG GLN 102 2HG GLN 102 9.587 1.907 10.570 362 1HE2 GLN 102 2HE2 GLN 102 11.277 -0.847 8.909 363 2HE2 GLN 102 1HE2 GLN 102 12.524 -1.057 10.090 364 H ALA 103 H ALA 103 7.435 -1.289 7.591 365 HA ALA 103 HA ALA 103 8.658 0.612 5.833 366 1HB ALA 103 1HB ALA 103 7.916 -2.353 5.482 367 2HB ALA 103 3HB ALA 103 9.551 -1.726 5.906 368 3HB ALA 103 2HB ALA 103 8.843 -1.363 4.287 369 H PHE 104 H PHE 104 5.589 -1.220 6.350 370 HA PHE 104 HA PHE 104 4.319 -0.377 4.118 371 1HB PHE 104 1HB PHE 104 3.203 -1.726 5.968 372 2HB PHE 104 2HB PHE 104 2.982 -0.178 6.879 373 HD1 PHE 104 HD1 PHE 104 2.500 -1.352 3.304 374 HD2 PHE 104 HD2 PHE 104 0.853 0.604 6.722 375 HE1 PHE 104 HE1 PHE 104 0.425 -0.960 2.075 376 HE2 PHE 104 HE2 PHE 104 -1.244 0.953 5.494 377 HZ PHE 104 HZ PHE 104 -1.459 0.198 3.164 378 H GLU 105 H GLU 105 4.728 1.680 7.110 379 HA GLU 105 HA GLU 105 3.147 3.713 5.995 380 1HB GLU 105 1HB GLU 105 5.162 3.696 8.279 381 2HB GLU 105 2HB GLU 105 4.295 5.189 7.772 382 1HG GLU 105 1HG GLU 105 2.096 4.149 8.194 383 2HG GLU 105 2HG GLU 105 2.880 2.599 8.678 384 H GLN 106 H GLN 106 6.509 2.850 5.457 385 HA GLN 106 HA GLN 106 7.305 5.474 4.654 386 1HB GLN 106 1HB GLN 106 8.445 2.654 4.292 387 2HB GLN 106 2HB GLN 106 9.151 4.068 3.458 388 1HG GLN 106 1HG GLN 106 9.597 5.177 5.664 389 2HG GLN 106 2HG GLN 106 8.805 3.805 6.529 390 1HE2 GLN 106 2HE2 GLN 106 11.651 4.917 4.744 391 2HE2 GLN 106 1HE2 GLN 106 12.659 3.538 5.030 392 H VAL 107 H VAL 107 5.952 2.573 3.165 393 HA VAL 107 HA VAL 107 6.378 3.389 0.478 394 HB VAL 107 HB VAL 107 4.759 1.248 1.897 395 1HG1 VAL 107 1HG1 VAL 107 4.559 1.957 -1.106 396 2HG1 VAL 107 2HG1 VAL 107 4.086 0.375 -0.391 397 3HG1 VAL 107 3HG1 VAL 107 3.212 1.864 0.091 398 1HG2 VAL 107 1HG2 VAL 107 7.055 1.329 -0.173 399 2HG2 VAL 107 2HG2 VAL 107 7.208 0.985 1.591 400 3HG2 VAL 107 3HG2 VAL 107 6.342 -0.174 0.516 401 H VAL 108 H VAL 108 3.834 3.660 2.906 402 HA VAL 108 HA VAL 108 1.869 4.728 1.210 403 HB VAL 108 HB VAL 108 2.391 4.698 4.197 404 1HG1 VAL 108 1HG1 VAL 108 0.050 6.087 2.735 405 2HG1 VAL 108 2HG1 VAL 108 0.058 5.635 4.484 406 3HG1 VAL 108 3HG1 VAL 108 1.236 6.841 3.883 407 1HG2 VAL 108 1HG2 VAL 108 1.690 2.624 2.895 408 2HG2 VAL 108 2HG2 VAL 108 0.470 3.130 4.118 409 3HG2 VAL 108 3HG2 VAL 108 0.205 3.492 2.369 410 H ASN 109 H ASN 109 4.545 6.113 3.095 411 HA ASN 109 HA ASN 109 3.740 8.782 2.791 412 1HB ASN 109 1HB ASN 109 5.505 8.118 4.452 413 2HB ASN 109 2HB ASN 109 6.605 7.692 3.085 414 1HD2 ASN 109 2HD2 ASN 109 8.031 9.226 2.533 415 2HD2 ASN 109 1HD2 ASN 109 7.818 10.938 2.681 416 H LYS 110 H LYS 110 5.766 6.595 0.763 417 HA LYS 110 HA LYS 110 6.571 8.606 -1.015 418 1HB LYS 110 1HB LYS 110 6.250 5.582 -1.396 419 2HB LYS 110 2HB LYS 110 6.904 6.679 -2.658 420 1HG LYS 110 1HG LYS 110 8.791 7.325 -1.183 421 2HG LYS 110 2HG LYS 110 8.114 6.337 0.153 422 1HD LYS 110 1HD LYS 110 9.918 5.084 -0.856 423 2HD LYS 110 2HD LYS 110 8.366 4.269 -1.261 424 1HE LYS 110 1HE LYS 110 8.450 5.321 -3.573 425 2HE LYS 110 2HE LYS 110 10.026 6.098 -3.134 426 1HZ LYS 110 1HZ LYS 110 10.926 3.897 -2.760 427 2HZ LYS 110 2HZ LYS 110 9.443 3.182 -3.179 428 3HZ LYS 110 3HZ LYS 110 10.320 4.059 -4.338 429 H VAL 111 H VAL 111 3.646 6.574 -0.810 430 HA VAL 111 HA VAL 111 2.781 7.388 -3.458 431 HB VAL 111 HB VAL 111 1.633 5.631 -1.210 432 1HG1 VAL 111 1HG1 VAL 111 0.455 6.228 -4.004 433 2HG1 VAL 111 2HG1 VAL 111 -0.019 4.815 -2.988 434 3HG1 VAL 111 3HG1 VAL 111 -0.342 6.481 -2.402 435 1HG2 VAL 111 1HG2 VAL 111 2.859 5.037 -3.983 436 2HG2 VAL 111 2HG2 VAL 111 3.644 4.707 -2.406 437 3HG2 VAL 111 3HG2 VAL 111 2.159 3.803 -2.866 438 H LYS 112 H LYS 112 2.636 8.701 -0.278 439 HA LYS 112 HA LYS 112 0.117 9.911 -0.876 440 1HB LYS 112 1HB LYS 112 0.628 9.476 1.464 441 2HB LYS 112 2HB LYS 112 2.263 10.183 1.313 442 1HG LYS 112 1HG LYS 112 -0.073 12.089 0.930 443 2HG LYS 112 2HG LYS 112 0.199 11.382 2.556 444 1HD LYS 112 1HD LYS 112 2.635 12.060 2.435 445 2HD LYS 112 2HD LYS 112 2.258 12.993 0.949 446 1HE LYS 112 1HE LYS 112 0.568 14.352 2.296 447 2HE LYS 112 2HE LYS 112 1.020 13.398 3.766 448 1HZ LYS 112 1HZ LYS 112 3.284 14.173 3.495 449 2HZ LYS 112 2HZ LYS 112 2.841 15.093 2.136 450 3HZ LYS 112 3HZ LYS 112 2.193 15.464 3.662 451 H GLU 113 H GLU 113 3.525 10.629 -1.393 452 HA GLU 113 HA GLU 113 2.831 13.352 -2.059 453 1HB GLU 113 1HB GLU 113 5.223 13.641 -2.404 454 2HB GLU 113 2HB GLU 113 4.794 12.882 -0.805 455 1HG GLU 113 1HG GLU 113 5.497 10.656 -1.666 456 2HG GLU 113 2HG GLU 113 6.142 11.459 -3.156 457 H ALA 114 H ALA 114 3.959 10.458 -3.385 458 HA ALA 114 HA ALA 114 4.212 11.254 -6.074 459 1HB ALA 114 2HB ALA 114 3.458 8.409 -5.193 460 2HB ALA 114 1HB ALA 114 5.144 9.025 -5.411 461 3HB ALA 114 3HB ALA 114 4.037 8.891 -6.826 462 H LEU 115 H LEU 115 1.327 10.025 -4.257 463 HA LEU 115 HA LEU 115 -0.342 9.963 -6.643 464 1HB LEU 115 1HB LEU 115 -0.959 8.558 -4.711 465 2HB LEU 115 2HB LEU 115 -1.053 10.057 -3.705 466 HG LEU 115 HG LEU 115 -2.721 10.967 -5.180 467 1HD1 LEU 115 1HD1 LEU 115 -2.784 8.193 -6.555 468 2HD1 LEU 115 2HD1 LEU 115 -4.050 9.459 -6.765 469 3HD1 LEU 115 3HD1 LEU 115 -2.372 9.768 -7.332 470 1HD2 LEU 115 1HD2 LEU 115 -3.316 9.646 -3.079 471 2HD2 LEU 115 2HD2 LEU 115 -4.639 9.600 -4.310 472 3HD2 LEU 115 3HD2 LEU 115 -3.548 8.180 -4.095 473 H GLN 116 H GLN 116 0.696 12.013 -4.064 474 HA GLN 116 HA GLN 116 0.608 14.194 -3.765 475 1HB GLN 116 1HB GLN 116 1.255 14.360 -6.260 476 2HB GLN 116 2HB GLN 116 -0.481 14.694 -6.570 477 1HG GLN 116 1HG GLN 116 -0.295 16.707 -4.983 478 2HG GLN 116 2HG GLN 116 1.468 16.344 -4.819 479 1HE2 GLN 116 2HE2 GLN 116 -1.114 16.761 -7.351 480 2HE2 GLN 116 1HE2 GLN 116 -0.128 17.611 -8.495 481 H VAL 117 H VAL 117 -1.191 12.684 -2.709 482 HA VAL 117 HA VAL 117 -3.689 14.167 -2.866 483 HB VAL 117 HB VAL 117 -3.839 11.707 -2.616 484 1HG1 VAL 117 1HG1 VAL 117 -1.673 11.305 -1.446 485 2HG1 VAL 117 2HG1 VAL 117 -2.292 12.136 0.034 486 3HG1 VAL 117 3HG1 VAL 117 -3.045 10.605 -0.528 487 1HG2 VAL 117 1HG2 VAL 117 -5.581 13.242 -1.652 488 2HG2 VAL 117 2HG2 VAL 117 -5.429 11.677 -0.767 489 3HG2 VAL 117 3HG2 VAL 117 -4.736 13.175 -0.056 490 H GLN 118 H GLN 118 -0.526 14.149 -1.839 491 HA GLN 118 HA GLN 118 -0.736 15.324 0.693 492 1HB GLN 118 1HB GLN 118 1.499 16.128 0.494 493 2HB GLN 118 2HB GLN 118 1.462 14.555 -0.381 494 1HG GLN 118 1HG GLN 118 1.180 15.873 -2.563 495 2HG GLN 118 2HG GLN 118 1.453 17.390 -1.628 496 1HE2 GLN 118 2HE2 GLN 118 3.383 16.189 0.284 497 2HE2 GLN 118 1HE2 GLN 118 4.860 15.964 -0.592 No H/Q in entry = 497 Start of MODEL 5 1 H1 TRP 59 1H TRP 59 -4.202 -12.678 0.160 2 H2 TRP 59 2H TRP 59 -3.055 -12.674 -1.094 3 H3 TRP 59 3H TRP 59 -2.723 -13.488 0.362 4 HA TRP 59 HA TRP 59 -2.756 -11.450 1.558 5 1HB TRP 59 1HB TRP 59 -0.839 -11.368 -0.865 6 2HB TRP 59 2HB TRP 59 -0.551 -10.457 0.559 7 HD1 TRP 59 HD1 TRP 59 -0.669 -14.168 -0.638 8 HE1 TRP 59 HE1 TRP 59 0.605 -15.609 1.058 9 HE3 TRP 59 HE3 TRP 59 0.299 -10.597 2.836 10 HZ2 TRP 59 HZ2 TRP 59 1.826 -15.264 3.579 11 HZ3 TRP 59 HZ3 TRP 59 1.466 -11.237 4.901 12 HH2 TRP 59 HH2 TRP 59 2.224 -13.518 5.264 13 H ILE 60 H ILE 60 -5.152 -11.265 -0.163 14 HA ILE 60 HA ILE 60 -5.016 -8.420 -0.257 15 HB ILE 60 HB ILE 60 -4.296 -9.206 -2.483 16 1HG1 ILE 60 1HG1 ILE 60 -4.374 -7.027 -2.274 17 2HG1 ILE 60 2HG1 ILE 60 -5.663 -7.198 -3.498 18 1HG2 ILE 60 1HG2 ILE 60 -6.221 -10.855 -2.781 19 2HG2 ILE 60 2HG2 ILE 60 -7.253 -9.428 -3.200 20 3HG2 ILE 60 3HG2 ILE 60 -5.790 -9.787 -4.171 21 1HD1 ILE 60 1HD1 ILE 60 -6.096 -6.732 -0.434 22 2HD1 ILE 60 2HD1 ILE 60 -6.169 -5.484 -1.689 23 3HD1 ILE 60 3HD1 ILE 60 -7.388 -6.794 -1.703 24 H ALA 61 H ALA 61 -6.363 -10.232 1.550 25 HA ALA 61 HA ALA 61 -8.941 -8.831 1.102 26 1HB ALA 61 1HB ALA 61 -8.049 -10.719 3.385 27 2HB ALA 61 3HB ALA 61 -9.192 -11.185 2.069 28 3HB ALA 61 2HB ALA 61 -9.663 -9.918 3.261 29 H ARG 62 H ARG 62 -5.735 -8.819 2.351 30 HA ARG 62 HA ARG 62 -6.363 -7.434 4.705 31 1HB ARG 62 1HB ARG 62 -3.871 -7.519 5.018 32 2HB ARG 62 2HB ARG 62 -4.746 -9.094 4.855 33 1HG ARG 62 1HG ARG 62 -4.004 -9.249 2.453 34 2HG ARG 62 2HG ARG 62 -3.125 -7.702 2.664 35 1HD ARG 62 1HD ARG 62 -1.592 -9.653 2.872 36 2HD ARG 62 2HD ARG 62 -1.679 -8.692 4.405 37 HE ARG 62 HE ARG 62 -3.402 -11.149 4.049 38 1HH1 ARG 62 1HH1 ARG 62 -3.075 -12.792 5.690 39 2HH1 ARG 62 2HH1 ARG 62 -1.848 -12.586 6.895 40 1HH2 ARG 62 1HH2 ARG 62 -0.721 -9.444 5.691 41 2HH2 ARG 62 2HH2 ARG 62 -0.496 -10.669 6.894 42 H ILE 63 H ILE 63 -4.710 -6.445 1.546 43 HA ILE 63 HA ILE 63 -3.953 -4.030 2.589 44 HB ILE 63 HB ILE 63 -4.680 -4.285 -0.306 45 1HG1 ILE 63 1HG1 ILE 63 -2.604 -6.044 1.096 46 2HG1 ILE 63 2HG1 ILE 63 -3.978 -6.576 0.079 47 1HG2 ILE 63 1HG2 ILE 63 -3.465 -2.367 0.811 48 2HG2 ILE 63 2HG2 ILE 63 -2.172 -3.546 1.277 49 3HG2 ILE 63 3HG2 ILE 63 -2.463 -3.152 -0.478 50 1HD1 ILE 63 1HD1 ILE 63 -2.857 -5.279 -1.889 51 2HD1 ILE 63 2HD1 ILE 63 -1.387 -5.197 -0.843 52 3HD1 ILE 63 3HD1 ILE 63 -2.050 -6.791 -1.346 53 H ASN 64 H ASN 64 -6.853 -5.343 1.090 54 HA ASN 64 HA ASN 64 -8.074 -2.969 0.358 55 1HB ASN 64 1HB ASN 64 -8.816 -5.505 -0.077 56 2HB ASN 64 2HB ASN 64 -9.544 -5.416 1.550 57 1HD2 ASN 64 2HD2 ASN 64 -9.333 -3.159 -1.318 58 2HD2 ASN 64 1HD2 ASN 64 -11.027 -2.809 -1.396 59 H ALA 65 H ALA 65 -8.003 -4.906 3.309 60 HA ALA 65 HA ALA 65 -9.802 -3.193 4.708 61 1HB ALA 65 3HB ALA 65 -9.311 -4.671 6.678 62 2HB ALA 65 2HB ALA 65 -7.979 -5.449 5.743 63 3HB ALA 65 1HB ALA 65 -9.691 -5.655 5.215 64 H ALA 66 H ALA 66 -6.333 -3.141 4.114 65 HA ALA 66 HA ALA 66 -5.745 -2.043 6.691 66 1HB ALA 66 1HB ALA 66 -4.071 -2.186 4.107 67 2HB ALA 66 2HB ALA 66 -3.452 -1.635 5.709 68 3HB ALA 66 3HB ALA 66 -3.984 -3.343 5.487 69 H VAL 67 H VAL 67 -6.175 -0.867 3.332 70 HA VAL 67 HA VAL 67 -5.016 1.631 4.091 71 HB VAL 67 HB VAL 67 -5.083 2.187 1.734 72 1HG1 VAL 67 1HG1 VAL 67 -3.233 0.851 2.590 73 2HG1 VAL 67 2HG1 VAL 67 -4.120 -0.690 2.280 74 3HG1 VAL 67 3HG1 VAL 67 -3.644 0.361 0.902 75 1HG2 VAL 67 1HG2 VAL 67 -6.823 -0.366 1.506 76 2HG2 VAL 67 2HG2 VAL 67 -7.241 1.295 1.008 77 3HG2 VAL 67 3HG2 VAL 67 -5.972 0.397 0.115 78 H ARG 68 H ARG 68 -8.091 0.440 4.399 79 HA ARG 68 HA ARG 68 -9.594 2.479 3.188 80 1HB ARG 68 1HB ARG 68 -11.520 1.508 4.381 81 2HB ARG 68 2HB ARG 68 -10.503 0.221 3.653 82 1HG ARG 68 1HG ARG 68 -9.351 -0.019 5.937 83 2HG ARG 68 2HG ARG 68 -10.634 1.035 6.623 84 1HD ARG 68 1HD ARG 68 -11.153 -1.599 5.084 85 2HD ARG 68 2HD ARG 68 -11.101 -1.444 6.895 86 HE ARG 68 HE ARG 68 -12.957 0.493 5.840 87 1HH1 ARG 68 1HH1 ARG 68 -15.256 -0.015 6.056 88 2HH1 ARG 68 2HH1 ARG 68 -15.762 -1.655 6.288 89 1HH2 ARG 68 1HH2 ARG 68 -12.478 -3.018 6.237 90 2HH2 ARG 68 2HH2 ARG 68 -14.164 -3.384 6.393 91 H ALA 69 H ALA 69 -7.654 2.407 6.008 92 HA ALA 69 HA ALA 69 -9.105 4.187 7.631 93 1HB ALA 69 2HB ALA 69 -6.881 4.552 8.765 94 2HB ALA 69 1HB ALA 69 -6.068 3.671 7.417 95 3HB ALA 69 3HB ALA 69 -7.193 2.791 8.520 96 H TYR 70 H TYR 70 -6.809 4.535 4.871 97 HA TYR 70 HA TYR 70 -6.269 7.250 5.539 98 1HB TYR 70 1HB TYR 70 -5.731 5.637 2.961 99 2HB TYR 70 2HB TYR 70 -5.060 7.279 3.322 100 HD1 TYR 70 HD1 TYR 70 -3.946 7.302 5.845 101 HD2 TYR 70 HD2 TYR 70 -4.293 3.949 3.228 102 HE1 TYR 70 HE1 TYR 70 -2.044 6.226 6.960 103 HE2 TYR 70 HE2 TYR 70 -2.386 2.883 4.339 104 HH TYR 70 HH TYR 70 -0.656 4.503 7.010 105 H GLY 71 H GLY 71 -8.046 5.471 2.939 106 1HA GLY 71 2HA GLY 71 -8.850 8.060 1.890 107 2HA GLY 71 1HA GLY 71 -10.106 6.808 2.304 108 H LEU 72 H LEU 72 -7.045 5.491 1.479 109 HA LEU 72 HA LEU 72 -7.662 5.074 -1.337 110 1HB LEU 72 1HB LEU 72 -5.754 3.661 0.613 111 2HB LEU 72 2HB LEU 72 -5.935 3.246 -1.123 112 HG LEU 72 HG LEU 72 -3.937 4.423 -0.986 113 1HD1 LEU 72 1HD1 LEU 72 -5.468 5.202 -2.803 114 2HD1 LEU 72 2HD1 LEU 72 -5.930 6.626 -1.804 115 3HD1 LEU 72 3HD1 LEU 72 -4.218 6.427 -2.345 116 1HD2 LEU 72 1HD2 LEU 72 -4.105 5.335 1.295 117 2HD2 LEU 72 2HD2 LEU 72 -3.492 6.562 0.126 118 3HD2 LEU 72 3HD2 LEU 72 -5.192 6.656 0.712 119 H ASN 73 H ASN 73 -8.318 3.047 -2.156 120 HA ASN 73 HA ASN 73 -9.775 1.557 -0.162 121 1HB ASN 73 1HB ASN 73 -11.700 1.264 -1.651 122 2HB ASN 73 2HB ASN 73 -11.385 3.025 -1.442 123 1HD2 ASN 73 2HD2 ASN 73 -12.186 0.696 -3.641 124 2HD2 ASN 73 1HD2 ASN 73 -11.581 1.393 -5.108 125 H TYR 74 H TYR 74 -7.167 1.386 -1.717 126 HA TYR 74 HA TYR 74 -5.870 -0.327 -2.211 127 1HB TYR 74 1HB TYR 74 -7.091 -2.305 -1.576 128 2HB TYR 74 2HB TYR 74 -8.336 -2.034 -2.853 129 HD1 TYR 74 HD1 TYR 74 -7.969 -2.385 -5.126 130 HD2 TYR 74 HD2 TYR 74 -5.097 -3.642 -2.214 131 HE1 TYR 74 HE1 TYR 74 -6.936 -3.874 -6.770 132 HE2 TYR 74 HE2 TYR 74 -4.037 -5.044 -3.882 133 HH TYR 74 HH TYR 74 -4.046 -5.801 -5.974 134 H SER 75 H SER 75 -8.542 0.938 -4.163 135 HA SER 75 HA SER 75 -7.270 -0.030 -6.566 136 1HB SER 75 1HB SER 75 -9.748 1.769 -6.251 137 2HB SER 75 2HB SER 75 -9.175 1.006 -7.782 138 HG SER 75 HG SER 75 -10.129 -0.237 -5.426 139 H THR 76 H THR 76 -7.618 3.018 -4.745 140 HA THR 76 HA THR 76 -6.565 4.466 -6.984 141 HB THR 76 HB THR 76 -6.596 6.354 -5.172 142 HG1 THR 76 HG1 THR 76 -7.953 5.879 -3.507 143 1HG2 THR 76 1HG2 THR 76 -8.205 6.095 -7.115 144 2HG2 THR 76 2HG2 THR 76 -9.175 4.919 -6.148 145 3HG2 THR 76 3HG2 THR 76 -9.059 6.639 -5.622 146 H PHE 77 H PHE 77 -5.548 2.758 -4.147 147 HA PHE 77 HA PHE 77 -3.125 4.037 -3.724 148 1HB PHE 77 1HB PHE 77 -4.420 2.185 -2.295 149 2HB PHE 77 2HB PHE 77 -3.622 1.003 -3.375 150 HD1 PHE 77 HD1 PHE 77 -2.835 0.039 -1.352 151 HD2 PHE 77 HD2 PHE 77 -1.553 3.975 -2.408 152 HE1 PHE 77 HE1 PHE 77 -0.953 -0.145 0.205 153 HE2 PHE 77 HE2 PHE 77 0.312 3.775 -0.870 154 HZ PHE 77 HZ PHE 77 0.629 1.727 0.457 155 H ILE 78 H ILE 78 -4.295 1.326 -5.714 156 HA ILE 78 HA ILE 78 -2.049 0.342 -6.751 157 HB ILE 78 HB ILE 78 -4.881 0.208 -7.002 158 1HG1 ILE 78 1HG1 ILE 78 -4.515 -1.991 -7.743 159 2HG1 ILE 78 2HG1 ILE 78 -2.786 -1.696 -8.142 160 1HG2 ILE 78 1HG2 ILE 78 -3.490 0.073 -9.762 161 2HG2 ILE 78 2HG2 ILE 78 -5.145 -0.499 -9.367 162 3HG2 ILE 78 3HG2 ILE 78 -4.781 1.245 -9.263 163 1HD1 ILE 78 1HD1 ILE 78 -4.031 -1.763 -5.310 164 2HD1 ILE 78 2HD1 ILE 78 -2.976 -3.015 -6.049 165 3HD1 ILE 78 3HD1 ILE 78 -2.304 -1.401 -5.660 166 H ASN 79 H ASN 79 -4.012 3.065 -7.914 167 HA ASN 79 HA ASN 79 -2.546 3.293 -10.288 168 1HB ASN 79 1HB ASN 79 -3.526 5.362 -10.787 169 2HB ASN 79 2HB ASN 79 -4.790 4.284 -10.038 170 1HD2 ASN 79 2HD2 ASN 79 -6.268 5.343 -9.035 171 2HD2 ASN 79 1HD2 ASN 79 -6.079 6.816 -8.145 172 H GLY 80 H GLY 80 -2.463 5.012 -7.359 173 1HA GLY 80 2HA GLY 80 -0.852 6.418 -6.386 174 2HA GLY 80 1HA GLY 80 -0.294 6.672 -8.065 175 H LEU 81 H LEU 81 -0.173 3.348 -7.119 176 HA LEU 81 HA LEU 81 2.469 3.406 -6.115 177 1HB LEU 81 1HB LEU 81 1.590 1.233 -8.031 178 2HB LEU 81 2HB LEU 81 2.808 1.157 -6.721 179 HG LEU 81 HG LEU 81 -0.202 1.355 -6.315 180 1HD1 LEU 81 1HD1 LEU 81 0.641 -0.803 -7.308 181 2HD1 LEU 81 2HD1 LEU 81 1.648 -1.038 -5.827 182 3HD1 LEU 81 3HD1 LEU 81 -0.152 -0.990 -5.712 183 1HD2 LEU 81 1HD2 LEU 81 1.080 2.467 -4.458 184 2HD2 LEU 81 2HD2 LEU 81 0.270 0.978 -3.899 185 3HD2 LEU 81 3HD2 LEU 81 2.044 0.959 -4.230 186 H LYS 82 H LYS 82 1.124 3.714 -9.381 187 HA LYS 82 HA LYS 82 3.536 2.947 -10.662 188 1HB LYS 82 1HB LYS 82 1.166 2.816 -11.636 189 2HB LYS 82 2HB LYS 82 1.219 4.604 -11.808 190 1HG LYS 82 1HG LYS 82 3.215 4.398 -13.309 191 2HG LYS 82 2HG LYS 82 3.195 2.616 -13.107 192 1HD LYS 82 1HD LYS 82 0.975 4.346 -14.380 193 2HD LYS 82 2HD LYS 82 2.202 3.383 -15.273 194 1HE LYS 82 1HE LYS 82 -0.001 2.217 -13.434 195 2HE LYS 82 2HE LYS 82 0.037 2.181 -15.240 196 1HZ LYS 82 1HZ LYS 82 2.038 0.938 -13.427 197 2HZ LYS 82 2HZ LYS 82 0.798 0.134 -14.265 198 3HZ LYS 82 3HZ LYS 82 2.053 0.891 -15.125 199 H LYS 83 H LYS 83 2.031 5.858 -9.396 200 HA LYS 83 HA LYS 83 3.734 7.724 -10.619 201 1HB LYS 83 1HB LYS 83 2.096 7.755 -8.008 202 2HB LYS 83 2HB LYS 83 2.991 9.190 -8.618 203 1HG LYS 83 1HG LYS 83 0.989 7.825 -10.480 204 2HG LYS 83 2HG LYS 83 0.380 8.705 -9.043 205 1HD LYS 83 1HD LYS 83 0.306 10.200 -10.916 206 2HD LYS 83 2HD LYS 83 1.530 10.783 -9.739 207 1HE LYS 83 1HE LYS 83 3.370 9.940 -11.225 208 2HE LYS 83 2HE LYS 83 2.137 9.278 -12.379 209 1HZ LYS 83 1HZ LYS 83 1.303 11.510 -12.670 210 2HZ LYS 83 2HZ LYS 83 2.455 12.127 -11.587 211 3HZ LYS 83 3HZ LYS 83 2.955 11.422 -13.050 212 H ALA 84 H ALA 84 3.880 5.682 -7.678 213 HA ALA 84 HA ALA 84 6.142 6.993 -6.606 214 1HB ALA 84 3HB ALA 84 4.679 5.751 -5.091 215 2HB ALA 84 1HB ALA 84 4.867 4.246 -6.059 216 3HB ALA 84 2HB ALA 84 6.270 4.907 -5.149 217 H GLY 85 H GLY 85 5.744 3.670 -7.884 218 1HA GLY 85 2HA GLY 85 8.536 3.737 -8.749 219 2HA GLY 85 1HA GLY 85 7.187 2.885 -9.612 220 H ILE 86 H ILE 86 5.818 2.019 -7.254 221 HA ILE 86 HA ILE 86 7.700 0.224 -5.976 222 HB ILE 86 HB ILE 86 5.021 1.472 -5.205 223 1HG1 ILE 86 1HG1 ILE 86 7.847 1.447 -3.965 224 2HG1 ILE 86 2HG1 ILE 86 7.083 2.815 -4.838 225 1HG2 ILE 86 1HG2 ILE 86 6.517 -0.894 -3.879 226 2HG2 ILE 86 2HG2 ILE 86 5.170 0.021 -3.103 227 3HG2 ILE 86 3HG2 ILE 86 4.851 -0.904 -4.590 228 1HD1 ILE 86 1HD1 ILE 86 5.288 2.912 -3.039 229 2HD1 ILE 86 2HD1 ILE 86 6.197 1.642 -2.129 230 3HD1 ILE 86 3HD1 ILE 86 6.957 3.241 -2.433 231 H GLU 87 H GLU 87 4.250 0.458 -7.006 232 HA GLU 87 HA GLU 87 2.891 -0.889 -8.025 233 1HB GLU 87 1HB GLU 87 5.313 -1.552 -9.757 234 2HB GLU 87 2HB GLU 87 3.595 -1.908 -10.167 235 1HG GLU 87 1HG GLU 87 3.065 0.545 -10.086 236 2HG GLU 87 2HG GLU 87 4.796 0.908 -9.711 237 H LEU 88 H LEU 88 3.317 -2.014 -5.741 238 HA LEU 88 HA LEU 88 4.310 -4.702 -6.287 239 1HB LEU 88 1HB LEU 88 5.855 -2.959 -5.166 240 2HB LEU 88 2HB LEU 88 4.757 -3.041 -3.774 241 HG LEU 88 HG LEU 88 5.229 -5.579 -3.660 242 1HD1 LEU 88 1HD1 LEU 88 7.465 -4.815 -5.647 243 2HD1 LEU 88 2HD1 LEU 88 7.317 -6.393 -4.785 244 3HD1 LEU 88 3HD1 LEU 88 6.075 -5.911 -5.996 245 1HD2 LEU 88 1HD2 LEU 88 6.305 -3.973 -2.106 246 2HD2 LEU 88 2HD2 LEU 88 7.450 -5.287 -2.555 247 3HD2 LEU 88 3HD2 LEU 88 7.612 -3.654 -3.307 248 H ASP 89 H ASP 89 1.794 -2.699 -4.722 249 HA ASP 89 HA ASP 89 0.867 -4.911 -3.089 250 1HB ASP 89 1HB ASP 89 -1.390 -3.326 -4.008 251 2HB ASP 89 2HB ASP 89 -0.847 -3.625 -2.342 252 H ARG 90 H ARG 90 -0.690 -6.298 -3.546 253 HA ARG 90 HA ARG 90 -2.533 -6.320 -5.496 254 1HB ARG 90 1HB ARG 90 -0.733 -6.607 -7.288 255 2HB ARG 90 2HB ARG 90 0.103 -7.790 -6.229 256 1HG ARG 90 1HG ARG 90 -1.756 -9.427 -6.562 257 2HG ARG 90 2HG ARG 90 -2.683 -8.201 -7.503 258 1HD ARG 90 1HD ARG 90 -1.499 -9.899 -8.972 259 2HD ARG 90 2HD ARG 90 -0.895 -8.203 -9.255 260 HE ARG 90 HE ARG 90 0.620 -9.659 -7.188 261 1HH1 ARG 90 1HH1 ARG 90 2.887 -9.951 -7.696 262 2HH1 ARG 90 2HH1 ARG 90 3.441 -9.802 -9.331 263 1HH2 ARG 90 1HH2 ARG 90 0.232 -9.079 -10.687 264 2HH2 ARG 90 2HH2 ARG 90 1.910 -9.299 -11.055 265 H LYS 91 H LYS 91 0.119 -7.713 -3.608 266 HA LYS 91 HA LYS 91 -1.011 -9.307 -1.933 267 1HB LYS 91 1HB LYS 91 -0.492 -10.565 -4.706 268 2HB LYS 91 2HB LYS 91 0.154 -11.452 -3.285 269 1HG LYS 91 1HG LYS 91 -1.924 -12.116 -2.520 270 2HG LYS 91 2HG LYS 91 -2.765 -10.678 -3.172 271 1HD LYS 91 1HD LYS 91 -2.532 -11.599 -5.492 272 2HD LYS 91 2HD LYS 91 -1.746 -13.072 -4.814 273 1HE LYS 91 1HE LYS 91 -3.820 -13.577 -3.493 274 2HE LYS 91 2HE LYS 91 -4.589 -12.060 -4.110 275 1HZ LYS 91 1HZ LYS 91 -3.643 -14.332 -5.788 276 2HZ LYS 91 2HZ LYS 91 -5.252 -14.032 -5.338 277 3HZ LYS 91 3HZ LYS 91 -4.428 -12.930 -6.332 278 H ILE 92 H ILE 92 0.648 -9.519 -0.646 279 HA ILE 92 HA ILE 92 2.606 -9.595 0.171 280 HB ILE 92 HB ILE 92 3.485 -10.362 -2.573 281 1HG1 ILE 92 1HG1 ILE 92 1.664 -11.639 -0.790 282 2HG1 ILE 92 2HG1 ILE 92 2.228 -12.118 -2.402 283 1HG2 ILE 92 1HG2 ILE 92 5.421 -9.733 -1.066 284 2HG2 ILE 92 2HG2 ILE 92 4.778 -10.816 0.217 285 3HG2 ILE 92 3HG2 ILE 92 5.412 -11.499 -1.333 286 1HD1 ILE 92 1HD1 ILE 92 4.171 -13.358 -1.351 287 2HD1 ILE 92 2HD1 ILE 92 3.595 -12.846 0.288 288 3HD1 ILE 92 3HD1 ILE 92 2.589 -13.939 -0.726 289 H LEU 93 H LEU 93 2.274 -7.583 0.543 290 HA LEU 93 HA LEU 93 4.409 -5.925 0.653 291 1HB LEU 93 1HB LEU 93 4.092 -5.101 -1.479 292 2HB LEU 93 2HB LEU 93 2.348 -5.359 -1.359 293 HG LEU 93 HG LEU 93 3.423 -3.258 0.502 294 1HD1 LEU 93 1HD1 LEU 93 4.697 -2.710 -1.468 295 2HD1 LEU 93 2HD1 LEU 93 3.188 -2.627 -2.463 296 3HD1 LEU 93 3HD1 LEU 93 3.454 -1.455 -1.125 297 1HD2 LEU 93 1HD2 LEU 93 0.825 -3.606 -1.051 298 2HD2 LEU 93 2HD2 LEU 93 1.053 -3.398 0.708 299 3HD2 LEU 93 3HD2 LEU 93 1.294 -1.991 -0.370 300 H ALA 94 H ALA 94 1.122 -6.450 -0.111 301 HA ALA 94 HA ALA 94 -0.537 -5.725 1.796 302 1HB ALA 94 1HB ALA 94 -0.495 -7.631 -0.065 303 2HB ALA 94 2HB ALA 94 0.186 -8.677 1.266 304 3HB ALA 94 3HB ALA 94 -1.441 -7.979 1.465 305 H ASP 95 H ASP 95 2.116 -8.073 1.970 306 HA ASP 95 HA ASP 95 1.619 -9.093 4.452 307 1HB ASP 95 1HB ASP 95 3.830 -10.034 4.323 308 2HB ASP 95 2HB ASP 95 3.137 -10.001 2.666 309 H MET 96 H MET 96 3.862 -6.578 3.357 310 HA MET 96 HA MET 96 4.503 -5.993 6.039 311 1HB MET 96 1HB MET 96 6.270 -5.051 5.185 312 2HB MET 96 2HB MET 96 5.588 -5.256 3.568 313 1HG MET 96 1HG MET 96 4.869 -2.786 5.188 314 2HG MET 96 2HG MET 96 6.444 -2.958 4.393 315 1HE MET 96 1HE MET 96 7.107 -2.884 2.166 316 2HE MET 96 2HE MET 96 6.194 -4.360 1.691 317 3HE MET 96 3HE MET 96 6.055 -2.872 0.705 318 H ALA 97 H ALA 97 1.826 -4.876 4.095 319 HA ALA 97 HA ALA 97 1.277 -2.517 5.384 320 1HB ALA 97 1HB ALA 97 0.094 -3.280 3.294 321 2HB ALA 97 2HB ALA 97 -0.769 -4.518 4.280 322 3HB ALA 97 3HB ALA 97 -1.054 -2.770 4.593 323 H VAL 98 H VAL 98 0.841 -5.830 6.466 324 HA VAL 98 HA VAL 98 -0.837 -4.896 8.661 325 HB VAL 98 HB VAL 98 0.019 -7.786 8.189 326 1HG1 VAL 98 1HG1 VAL 98 -2.374 -6.403 9.580 327 2HG1 VAL 98 2HG1 VAL 98 -2.091 -8.182 9.476 328 3HG1 VAL 98 3HG1 VAL 98 -0.958 -7.146 10.416 329 1HG2 VAL 98 1HG2 VAL 98 -2.192 -6.176 6.783 330 2HG2 VAL 98 2HG2 VAL 98 -0.914 -7.255 6.080 331 3HG2 VAL 98 3HG2 VAL 98 -2.269 -7.964 7.010 332 H ARG 99 H ARG 99 2.093 -6.925 8.026 333 HA ARG 99 HA ARG 99 2.426 -7.112 10.831 334 1HB ARG 99 1HB ARG 99 4.306 -8.679 10.195 335 2HB ARG 99 2HB ARG 99 2.635 -9.165 9.706 336 1HG ARG 99 1HG ARG 99 3.939 -7.676 7.543 337 2HG ARG 99 2HG ARG 99 5.017 -8.966 8.119 338 1HD ARG 99 1HD ARG 99 2.087 -9.519 7.150 339 2HD ARG 99 2HD ARG 99 3.562 -9.711 6.216 340 HE ARG 99 HE ARG 99 4.461 -11.279 7.986 341 1HH1 ARG 99 1HH1 ARG 99 3.930 -13.357 8.835 342 2HH1 ARG 99 2HH1 ARG 99 2.277 -13.858 8.964 343 1HH2 ARG 99 1HH2 ARG 99 0.923 -10.855 7.627 344 2HH2 ARG 99 2HH2 ARG 99 0.552 -12.419 8.269 345 H ASP 100 H ASP 100 3.980 -5.319 8.313 346 HA ASP 100 HA ASP 100 6.065 -4.505 10.186 347 1HB ASP 100 1HB ASP 100 6.760 -5.853 8.058 348 2HB ASP 100 2HB ASP 100 6.360 -4.425 7.127 349 HA PRO 101 HA PRO 101 3.504 -1.044 8.693 350 1HB PRO 101 1HB PRO 101 3.218 0.320 11.177 351 2HB PRO 101 2HB PRO 101 2.071 -0.912 10.507 352 1HG PRO 101 1HG PRO 101 4.301 -1.292 12.541 353 2HG PRO 101 2HG PRO 101 2.658 -2.062 12.503 354 1HD PRO 101 1HD PRO 101 5.015 -3.323 11.612 355 2HD PRO 101 2HD PRO 101 3.427 -3.684 10.790 356 H GLN 102 H GLN 102 6.630 -1.265 10.049 357 HA GLN 102 HA GLN 102 7.231 1.517 10.088 358 1HB GLN 102 1HB GLN 102 8.977 -1.018 9.936 359 2HB GLN 102 2HB GLN 102 9.651 0.644 9.872 360 1HG GLN 102 1HG GLN 102 9.895 -0.179 12.142 361 2HG GLN 102 2HG GLN 102 8.677 1.149 12.133 362 1HE2 GLN 102 2HE2 GLN 102 8.934 -2.485 11.877 363 2HE2 GLN 102 1HE2 GLN 102 7.484 -2.831 12.759 364 H ALA 103 H ALA 103 7.758 -1.279 7.862 365 HA ALA 103 HA ALA 103 8.856 0.388 5.842 366 1HB ALA 103 1HB ALA 103 7.882 -2.523 5.857 367 2HB ALA 103 3HB ALA 103 9.587 -1.961 5.960 368 3HB ALA 103 2HB ALA 103 8.660 -1.731 4.428 369 H PHE 104 H PHE 104 5.629 -1.131 6.536 370 HA PHE 104 HA PHE 104 4.452 -0.249 4.264 371 1HB PHE 104 1HB PHE 104 3.214 -1.502 6.118 372 2HB PHE 104 2HB PHE 104 3.098 0.074 7.001 373 HD1 PHE 104 HD1 PHE 104 2.653 -0.787 3.327 374 HD2 PHE 104 HD2 PHE 104 0.922 0.670 6.954 375 HE1 PHE 104 HE1 PHE 104 0.591 -0.305 2.141 376 HE2 PHE 104 HE2 PHE 104 -1.168 1.121 5.751 377 HZ PHE 104 HZ PHE 104 -1.330 0.646 3.343 378 H GLU 105 H GLU 105 5.190 1.868 7.128 379 HA GLU 105 HA GLU 105 3.694 3.984 6.039 380 1HB GLU 105 1HB GLU 105 5.941 3.879 8.103 381 2HB GLU 105 2HB GLU 105 5.301 5.449 7.517 382 1HG GLU 105 1HG GLU 105 3.577 3.263 8.853 383 2HG GLU 105 2HG GLU 105 4.218 4.744 9.663 384 H GLN 106 H GLN 106 6.880 2.747 5.204 385 HA GLN 106 HA GLN 106 7.778 5.193 4.060 386 1HB GLN 106 1HB GLN 106 8.516 2.255 3.492 387 2HB GLN 106 2HB GLN 106 9.292 3.642 2.706 388 1HG GLN 106 1HG GLN 106 9.306 3.025 5.747 389 2HG GLN 106 2HG GLN 106 10.675 2.741 4.602 390 1HE2 GLN 106 2HE2 GLN 106 9.509 4.827 6.923 391 2HE2 GLN 106 1HE2 GLN 106 10.235 6.319 6.422 392 H VAL 107 H VAL 107 6.001 2.328 2.990 393 HA VAL 107 HA VAL 107 6.126 2.896 0.225 394 HB VAL 107 HB VAL 107 4.152 1.283 1.924 395 1HG1 VAL 107 1HG1 VAL 107 4.201 1.569 -1.155 396 2HG1 VAL 107 2HG1 VAL 107 3.267 0.346 -0.219 397 3HG1 VAL 107 3HG1 VAL 107 2.856 2.070 -0.061 398 1HG2 VAL 107 1HG2 VAL 107 6.430 0.555 -0.039 399 2HG2 VAL 107 2HG2 VAL 107 6.448 0.352 1.753 400 3HG2 VAL 107 3HG2 VAL 107 5.322 -0.629 0.743 401 H VAL 108 H VAL 108 3.784 3.616 2.794 402 HA VAL 108 HA VAL 108 1.854 4.777 1.157 403 HB VAL 108 HB VAL 108 2.621 4.772 4.105 404 1HG1 VAL 108 1HG1 VAL 108 0.288 6.333 2.834 405 2HG1 VAL 108 2HG1 VAL 108 0.411 5.887 4.584 406 3HG1 VAL 108 3HG1 VAL 108 1.640 6.979 3.863 407 1HG2 VAL 108 1HG2 VAL 108 1.660 2.724 2.998 408 2HG2 VAL 108 2HG2 VAL 108 0.548 3.395 4.244 409 3HG2 VAL 108 3HG2 VAL 108 0.216 3.679 2.494 410 H ASN 109 H ASN 109 4.703 6.054 2.873 411 HA ASN 109 HA ASN 109 3.968 8.746 2.517 412 1HB ASN 109 1HB ASN 109 5.607 7.991 4.283 413 2HB ASN 109 2HB ASN 109 6.753 7.495 2.979 414 1HD2 ASN 109 2HD2 ASN 109 8.332 8.925 2.615 415 2HD2 ASN 109 1HD2 ASN 109 8.231 10.648 2.772 416 H LYS 110 H LYS 110 5.748 6.375 0.512 417 HA LYS 110 HA LYS 110 6.889 8.347 -1.144 418 1HB LYS 110 1HB LYS 110 7.763 5.988 -1.000 419 2HB LYS 110 2HB LYS 110 6.223 5.403 -1.712 420 1HG LYS 110 1HG LYS 110 7.935 5.398 -3.419 421 2HG LYS 110 2HG LYS 110 6.728 6.662 -3.827 422 1HD LYS 110 1HD LYS 110 8.289 8.426 -2.962 423 2HD LYS 110 2HD LYS 110 9.491 7.146 -2.561 424 1HE LYS 110 1HE LYS 110 9.607 6.500 -4.992 425 2HE LYS 110 2HE LYS 110 8.400 7.792 -5.388 426 1HZ LYS 110 1HZ LYS 110 11.048 8.233 -4.108 427 2HZ LYS 110 2HZ LYS 110 10.681 8.472 -5.749 428 3HZ LYS 110 3HZ LYS 110 9.926 9.425 -4.563 429 H VAL 111 H VAL 111 3.918 6.350 -1.237 430 HA VAL 111 HA VAL 111 3.067 7.265 -3.798 431 HB VAL 111 HB VAL 111 1.729 5.745 -1.489 432 1HG1 VAL 111 1HG1 VAL 111 0.715 6.413 -4.338 433 2HG1 VAL 111 2HG1 VAL 111 0.060 5.060 -3.358 434 3HG1 VAL 111 3HG1 VAL 111 -0.111 6.751 -2.765 435 1HG2 VAL 111 1HG2 VAL 111 3.684 4.594 -2.663 436 2HG2 VAL 111 2HG2 VAL 111 2.113 3.762 -2.929 437 3HG2 VAL 111 3HG2 VAL 111 2.814 4.795 -4.227 438 H LYS 112 H LYS 112 2.620 8.528 -0.496 439 HA LYS 112 HA LYS 112 0.293 9.820 -1.433 440 1HB LYS 112 1HB LYS 112 0.131 10.960 0.689 441 2HB LYS 112 2HB LYS 112 0.717 9.282 1.005 442 1HG LYS 112 1HG LYS 112 2.071 10.391 2.439 443 2HG LYS 112 2HG LYS 112 3.107 10.434 0.980 444 1HD LYS 112 1HD LYS 112 2.169 12.790 0.520 445 2HD LYS 112 2HD LYS 112 1.327 12.691 2.101 446 1HE LYS 112 1HE LYS 112 3.544 12.488 3.261 447 2HE LYS 112 2HE LYS 112 4.386 12.471 1.655 448 1HZ LYS 112 1HZ LYS 112 3.506 14.653 1.220 449 2HZ LYS 112 2HZ LYS 112 2.708 14.679 2.720 450 3HZ LYS 112 3HZ LYS 112 4.404 14.636 2.661 451 H GLU 113 H GLU 113 3.705 10.747 -1.165 452 HA GLU 113 HA GLU 113 3.127 13.417 -1.968 453 1HB GLU 113 1HB GLU 113 5.291 12.672 -0.910 454 2HB GLU 113 2HB GLU 113 5.677 11.825 -2.442 455 1HG GLU 113 1HG GLU 113 6.856 14.005 -2.384 456 2HG GLU 113 2HG GLU 113 5.621 13.960 -3.705 457 H ALA 114 H ALA 114 4.328 10.525 -3.580 458 HA ALA 114 HA ALA 114 4.795 11.678 -6.029 459 1HB ALA 114 2HB ALA 114 3.923 8.769 -5.514 460 2HB ALA 114 1HB ALA 114 5.625 9.376 -5.441 461 3HB ALA 114 3HB ALA 114 4.734 9.385 -7.007 462 H LEU 115 H LEU 115 1.781 10.466 -4.616 463 HA LEU 115 HA LEU 115 0.434 10.960 -7.204 464 1HB LEU 115 1HB LEU 115 -0.055 8.695 -6.369 465 2HB LEU 115 2HB LEU 115 -0.571 9.389 -4.801 466 HG LEU 115 HG LEU 115 -2.227 10.831 -6.105 467 1HD1 LEU 115 1HD1 LEU 115 -1.366 10.575 -8.413 468 2HD1 LEU 115 2HD1 LEU 115 -1.702 8.803 -8.367 469 3HD1 LEU 115 3HD1 LEU 115 -3.063 9.982 -8.299 470 1HD2 LEU 115 1HD2 LEU 115 -2.910 8.874 -4.711 471 2HD2 LEU 115 2HD2 LEU 115 -3.965 9.030 -6.168 472 3HD2 LEU 115 3HD2 LEU 115 -2.677 7.769 -6.119 473 H GLN 116 H GLN 116 -0.381 11.031 -3.779 474 HA GLN 116 HA GLN 116 -2.736 12.168 -4.518 475 1HB GLN 116 1HB GLN 116 -2.382 10.818 -2.441 476 2HB GLN 116 2HB GLN 116 -1.547 12.216 -1.692 477 1HG GLN 116 1HG GLN 116 -3.706 13.565 -1.907 478 2HG GLN 116 2HG GLN 116 -4.507 12.088 -2.576 479 1HE2 GLN 116 2HE2 GLN 116 -2.957 13.615 0.252 480 2HE2 GLN 116 1HE2 GLN 116 -3.509 12.488 1.447 481 H VAL 117 H VAL 117 -0.234 13.763 -2.553 482 HA VAL 117 HA VAL 117 -1.587 16.275 -2.812 483 HB VAL 117 HB VAL 117 -0.786 15.951 -0.657 484 1HG1 VAL 117 1HG1 VAL 117 1.597 14.684 -2.086 485 2HG1 VAL 117 2HG1 VAL 117 1.664 15.103 -0.325 486 3HG1 VAL 117 3HG1 VAL 117 0.429 13.941 -0.931 487 1HG2 VAL 117 1HG2 VAL 117 -0.057 18.198 -1.570 488 2HG2 VAL 117 2HG2 VAL 117 1.012 17.563 -0.264 489 3HG2 VAL 117 3HG2 VAL 117 1.554 17.478 -1.974 490 H GLN 118 H GLN 118 0.996 14.428 -4.493 491 HA GLN 118 HA GLN 118 2.136 16.671 -5.691 492 1HB GLN 118 1HB GLN 118 3.289 14.917 -6.621 493 2HB GLN 118 2HB GLN 118 1.886 13.833 -6.398 494 1HG GLN 118 1HG GLN 118 2.455 13.829 -8.713 495 2HG GLN 118 2HG GLN 118 0.847 14.596 -8.538 496 1HE2 GLN 118 2HE2 GLN 118 0.907 15.873 -10.381 497 2HE2 GLN 118 1HE2 GLN 118 2.019 17.175 -10.640 No H/Q in entry = 497 Start of MODEL 6 1 H1 TRP 59 1H TRP 59 -3.871 -12.123 0.503 2 H2 TRP 59 2H TRP 59 -2.817 -12.664 -0.712 3 H3 TRP 59 3H TRP 59 -2.355 -12.768 0.918 4 HA TRP 59 HA TRP 59 -2.376 -10.403 1.099 5 1HB TRP 59 1HB TRP 59 -0.619 -11.338 -1.245 6 2HB TRP 59 2HB TRP 59 -0.308 -9.973 -0.177 7 HD1 TRP 59 HD1 TRP 59 0.372 -10.627 2.463 8 HE1 TRP 59 HE1 TRP 59 1.561 -12.716 3.347 9 HE3 TRP 59 HE3 TRP 59 -0.494 -13.702 -1.474 10 HZ2 TRP 59 HZ2 TRP 59 2.055 -15.356 2.463 11 HZ3 TRP 59 HZ3 TRP 59 0.344 -16.006 -1.391 12 HH2 TRP 59 HH2 TRP 59 1.595 -16.821 0.545 13 H ILE 60 H ILE 60 -4.409 -9.466 0.620 14 HA ILE 60 HA ILE 60 -4.604 -8.270 -1.920 15 HB ILE 60 HB ILE 60 -7.162 -9.382 -1.787 16 1HG1 ILE 60 1HG1 ILE 60 -6.706 -11.778 -2.336 17 2HG1 ILE 60 2HG1 ILE 60 -5.012 -11.593 -1.770 18 1HG2 ILE 60 1HG2 ILE 60 -5.970 -8.352 -3.680 19 2HG2 ILE 60 2HG2 ILE 60 -4.828 -9.752 -3.753 20 3HG2 ILE 60 3HG2 ILE 60 -6.582 -9.999 -4.104 21 1HD1 ILE 60 1HD1 ILE 60 -7.538 -11.134 -0.072 22 2HD1 ILE 60 2HD1 ILE 60 -6.434 -12.575 0.029 23 3HD1 ILE 60 3HD1 ILE 60 -5.837 -10.925 0.475 24 H ALA 61 H ALA 61 -6.727 -9.301 0.781 25 HA ALA 61 HA ALA 61 -8.055 -6.745 0.589 26 1HB ALA 61 2HB ALA 61 -8.675 -9.252 2.275 27 2HB ALA 61 1HB ALA 61 -9.441 -8.871 0.684 28 3HB ALA 61 3HB ALA 61 -9.747 -7.807 2.107 29 H ARG 62 H ARG 62 -5.374 -8.021 2.051 30 HA ARG 62 HA ARG 62 -5.788 -6.914 4.661 31 1HB ARG 62 1HB ARG 62 -2.984 -7.176 4.050 32 2HB ARG 62 2HB ARG 62 -3.978 -8.121 5.208 33 1HG ARG 62 1HG ARG 62 -4.614 -9.659 3.170 34 2HG ARG 62 2HG ARG 62 -3.436 -8.688 2.230 35 1HD ARG 62 1HD ARG 62 -2.368 -10.784 3.074 36 2HD ARG 62 2HD ARG 62 -1.617 -9.354 3.895 37 HE ARG 62 HE ARG 62 -3.861 -10.249 5.457 38 1HH1 ARG 62 1HH1 ARG 62 -3.520 -11.713 7.259 39 2HH1 ARG 62 2HH1 ARG 62 -2.058 -12.634 7.366 40 1HH2 ARG 62 1HH2 ARG 62 -0.652 -11.349 4.357 41 2HH2 ARG 62 2HH2 ARG 62 -0.403 -12.424 5.693 42 H ILE 63 H ILE 63 -4.480 -5.989 1.445 43 HA ILE 63 HA ILE 63 -3.239 -3.677 2.192 44 HB ILE 63 HB ILE 63 -4.606 -4.298 -0.472 45 1HG1 ILE 63 1HG1 ILE 63 -2.012 -5.523 0.577 46 2HG1 ILE 63 2HG1 ILE 63 -3.532 -6.456 0.343 47 1HG2 ILE 63 1HG2 ILE 63 -3.364 -2.135 -0.029 48 2HG2 ILE 63 2HG2 ILE 63 -1.922 -3.125 0.439 49 3HG2 ILE 63 3HG2 ILE 63 -2.520 -3.140 -1.273 50 1HD1 ILE 63 1HD1 ILE 63 -3.487 -5.943 -2.113 51 2HD1 ILE 63 2HD1 ILE 63 -1.869 -5.181 -1.885 52 3HD1 ILE 63 3HD1 ILE 63 -2.089 -6.925 -1.540 53 H ASN 64 H ASN 64 -6.486 -4.678 1.022 54 HA ASN 64 HA ASN 64 -7.480 -2.107 0.643 55 1HB ASN 64 1HB ASN 64 -8.395 -4.563 0.015 56 2HB ASN 64 2HB ASN 64 -9.288 -4.386 1.566 57 1HD2 ASN 64 2HD2 ASN 64 -9.482 -3.976 -1.721 58 2HD2 ASN 64 1HD2 ASN 64 -10.645 -2.698 -1.846 59 H ALA 65 H ALA 65 -7.347 -4.344 3.374 60 HA ALA 65 HA ALA 65 -8.998 -2.818 5.073 61 1HB ALA 65 2HB ALA 65 -8.090 -4.258 6.924 62 2HB ALA 65 3HB ALA 65 -8.608 -5.260 5.517 63 3HB ALA 65 1HB ALA 65 -6.856 -4.914 5.783 64 H ALA 66 H ALA 66 -5.521 -2.735 4.203 65 HA ALA 66 HA ALA 66 -4.844 -1.400 6.611 66 1HB ALA 66 2HB ALA 66 -3.367 -1.424 3.913 67 2HB ALA 66 3HB ALA 66 -2.682 -0.912 5.503 68 3HB ALA 66 1HB ALA 66 -3.138 -2.633 5.232 69 H VAL 67 H VAL 67 -5.911 -0.351 3.329 70 HA VAL 67 HA VAL 67 -4.847 2.247 3.890 71 HB VAL 67 HB VAL 67 -5.281 2.729 1.537 72 1HG1 VAL 67 1HG1 VAL 67 -3.809 0.083 2.093 73 2HG1 VAL 67 2HG1 VAL 67 -3.701 1.068 0.596 74 3HG1 VAL 67 3HG1 VAL 67 -3.137 1.753 2.168 75 1HG2 VAL 67 1HG2 VAL 67 -6.516 -0.113 1.526 76 2HG2 VAL 67 2HG2 VAL 67 -7.358 1.422 1.151 77 3HG2 VAL 67 3HG2 VAL 67 -6.055 0.826 0.071 78 H ARG 68 H ARG 68 -7.732 0.844 4.659 79 HA ARG 68 HA ARG 68 -9.499 2.678 3.447 80 1HB ARG 68 1HB ARG 68 -11.249 1.642 4.826 81 2HB ARG 68 2HB ARG 68 -10.182 0.386 4.110 82 1HG ARG 68 1HG ARG 68 -8.868 0.427 6.348 83 2HG ARG 68 2HG ARG 68 -10.232 1.383 7.018 84 1HD ARG 68 1HD ARG 68 -11.816 -0.514 6.448 85 2HD ARG 68 2HD ARG 68 -10.424 -1.400 5.697 86 HE ARG 68 HE ARG 68 -9.552 -1.865 7.845 87 1HH1 ARG 68 1HH1 ARG 68 -9.734 -2.021 10.164 88 2HH1 ARG 68 2HH1 ARG 68 -10.946 -1.115 11.009 89 1HH2 ARG 68 1HH2 ARG 68 -12.299 0.411 8.097 90 2HH2 ARG 68 2HH2 ARG 68 -12.420 0.283 9.820 91 H ALA 69 H ALA 69 -7.353 2.908 6.105 92 HA ALA 69 HA ALA 69 -8.864 4.661 7.723 93 1HB ALA 69 2HB ALA 69 -6.620 5.219 8.740 94 2HB ALA 69 1HB ALA 69 -5.814 4.304 7.409 95 3HB ALA 69 3HB ALA 69 -6.841 3.433 8.608 96 H TYR 70 H TYR 70 -6.775 4.951 4.838 97 HA TYR 70 HA TYR 70 -6.327 7.722 5.278 98 1HB TYR 70 1HB TYR 70 -5.882 6.097 2.698 99 2HB TYR 70 2HB TYR 70 -5.105 7.677 3.128 100 HD1 TYR 70 HD1 TYR 70 -4.232 7.267 5.913 101 HD2 TYR 70 HD2 TYR 70 -4.272 4.537 2.631 102 HE1 TYR 70 HE1 TYR 70 -2.512 5.921 7.005 103 HE2 TYR 70 HE2 TYR 70 -2.515 3.213 3.722 104 HH TYR 70 HH TYR 70 -1.254 2.933 5.529 105 H GLY 71 H GLY 71 -8.370 5.676 3.131 106 1HA GLY 71 2HA GLY 71 -9.589 8.129 2.095 107 2HA GLY 71 1HA GLY 71 -10.572 6.752 2.767 108 H LEU 72 H LEU 72 -7.602 5.760 1.522 109 HA LEU 72 HA LEU 72 -8.393 5.354 -1.223 110 1HB LEU 72 1HB LEU 72 -6.196 4.117 0.507 111 2HB LEU 72 2HB LEU 72 -6.316 3.945 -1.277 112 HG LEU 72 HG LEU 72 -5.925 6.607 0.248 113 1HD1 LEU 72 1HD1 LEU 72 -3.947 5.087 0.469 114 2HD1 LEU 72 2HD1 LEU 72 -3.885 4.948 -1.327 115 3HD1 LEU 72 3HD1 LEU 72 -3.578 6.542 -0.540 116 1HD2 LEU 72 1HD2 LEU 72 -7.071 6.847 -1.996 117 2HD2 LEU 72 2HD2 LEU 72 -5.423 7.584 -1.976 118 3HD2 LEU 72 3HD2 LEU 72 -5.693 5.979 -2.759 119 H ASN 73 H ASN 73 -8.700 3.353 -2.149 120 HA ASN 73 HA ASN 73 -9.900 1.509 -0.288 121 1HB ASN 73 1HB ASN 73 -11.750 1.024 -1.819 122 2HB ASN 73 2HB ASN 73 -11.694 2.805 -1.571 123 1HD2 ASN 73 2HD2 ASN 73 -10.194 4.003 -3.292 124 2HD2 ASN 73 1HD2 ASN 73 -10.382 3.483 -4.934 125 H TYR 74 H TYR 74 -7.276 1.875 -1.709 126 HA TYR 74 HA TYR 74 -5.699 0.501 -2.175 127 1HB TYR 74 1HB TYR 74 -5.791 -1.510 -1.400 128 2HB TYR 74 2HB TYR 74 -7.577 -1.520 -1.458 129 HD1 TYR 74 HD1 TYR 74 -8.538 -1.982 -3.962 130 HD2 TYR 74 HD2 TYR 74 -4.746 -3.188 -2.437 131 HE1 TYR 74 HE1 TYR 74 -8.505 -3.864 -5.529 132 HE2 TYR 74 HE2 TYR 74 -4.721 -5.074 -3.990 133 HH TYR 74 HH TYR 74 -7.409 -5.665 -6.251 134 H SER 75 H SER 75 -8.324 1.242 -4.203 135 HA SER 75 HA SER 75 -7.069 0.107 -6.557 136 1HB SER 75 1HB SER 75 -9.551 1.903 -6.270 137 2HB SER 75 2HB SER 75 -8.967 1.180 -7.819 138 HG SER 75 HG SER 75 -9.383 -0.810 -7.047 139 H THR 76 H THR 76 -7.552 3.243 -4.930 140 HA THR 76 HA THR 76 -6.399 4.635 -7.160 141 HB THR 76 HB THR 76 -6.536 6.556 -5.328 142 HG1 THR 76 HG1 THR 76 -8.026 6.044 -3.787 143 1HG2 THR 76 1HG2 THR 76 -7.971 6.319 -7.405 144 2HG2 THR 76 2HG2 THR 76 -9.022 5.137 -6.535 145 3HG2 THR 76 3HG2 THR 76 -8.946 6.852 -5.984 146 H PHE 77 H PHE 77 -5.547 3.202 -4.098 147 HA PHE 77 HA PHE 77 -3.054 4.370 -3.722 148 1HB PHE 77 1HB PHE 77 -4.431 2.691 -2.182 149 2HB PHE 77 2HB PHE 77 -3.763 1.396 -3.226 150 HD1 PHE 77 HD1 PHE 77 -1.880 4.454 -1.968 151 HD2 PHE 77 HD2 PHE 77 -2.570 0.249 -1.701 152 HE1 PHE 77 HE1 PHE 77 -0.044 4.261 -0.391 153 HE2 PHE 77 HE2 PHE 77 -0.736 0.080 -0.063 154 HZ PHE 77 HZ PHE 77 0.551 2.072 0.567 155 H ILE 78 H ILE 78 -4.359 1.639 -5.554 156 HA ILE 78 HA ILE 78 -2.046 0.506 -6.373 157 HB ILE 78 HB ILE 78 -4.821 0.149 -6.846 158 1HG1 ILE 78 1HG1 ILE 78 -2.449 -1.645 -7.502 159 2HG1 ILE 78 2HG1 ILE 78 -2.896 -1.267 -5.800 160 1HG2 ILE 78 1HG2 ILE 78 -3.119 -0.256 -9.394 161 2HG2 ILE 78 2HG2 ILE 78 -4.791 -0.843 -9.113 162 3HG2 ILE 78 3HG2 ILE 78 -4.493 0.916 -9.205 163 1HD1 ILE 78 1HD1 ILE 78 -5.162 -2.225 -6.125 164 2HD1 ILE 78 2HD1 ILE 78 -4.739 -2.703 -7.816 165 3HD1 ILE 78 3HD1 ILE 78 -3.866 -3.441 -6.416 166 H ASN 79 H ASN 79 -3.859 3.192 -7.840 167 HA ASN 79 HA ASN 79 -2.371 3.101 -10.220 168 1HB ASN 79 1HB ASN 79 -3.223 5.130 -10.908 169 2HB ASN 79 2HB ASN 79 -4.586 4.290 -10.044 170 1HD2 ASN 79 2HD2 ASN 79 -5.824 5.526 -8.831 171 2HD2 ASN 79 1HD2 ASN 79 -5.443 7.109 -8.240 172 H GLY 80 H GLY 80 -2.266 5.027 -7.405 173 1HA GLY 80 2HA GLY 80 -0.616 6.367 -6.450 174 2HA GLY 80 1HA GLY 80 -0.054 6.575 -8.132 175 H LEU 81 H LEU 81 -0.055 3.292 -6.961 176 HA LEU 81 HA LEU 81 2.585 3.268 -5.982 177 1HB LEU 81 1HB LEU 81 1.636 0.998 -7.755 178 2HB LEU 81 2HB LEU 81 2.792 0.961 -6.393 179 HG LEU 81 HG LEU 81 -0.200 1.405 -6.099 180 1HD1 LEU 81 1HD1 LEU 81 0.261 -0.829 -7.023 181 2HD1 LEU 81 2HD1 LEU 81 1.432 -1.165 -5.695 182 3HD1 LEU 81 3HD1 LEU 81 -0.324 -0.946 -5.324 183 1HD2 LEU 81 1HD2 LEU 81 1.975 0.898 -3.978 184 2HD2 LEU 81 2HD2 LEU 81 1.014 2.406 -4.214 185 3HD2 LEU 81 3HD2 LEU 81 0.195 0.903 -3.667 186 H LYS 82 H LYS 82 1.233 3.196 -9.281 187 HA LYS 82 HA LYS 82 3.583 2.316 -10.540 188 1HB LYS 82 1HB LYS 82 1.192 2.251 -11.488 189 2HB LYS 82 2HB LYS 82 1.293 4.035 -11.672 190 1HG LYS 82 1HG LYS 82 3.313 3.688 -13.204 191 2HG LYS 82 2HG LYS 82 2.991 1.922 -13.130 192 1HD LYS 82 1HD LYS 82 1.052 4.109 -14.134 193 2HD LYS 82 2HD LYS 82 2.056 3.036 -15.173 194 1HE LYS 82 1HE LYS 82 0.806 1.026 -14.321 195 2HE LYS 82 2HE LYS 82 -0.231 2.108 -13.300 196 1HZ LYS 82 1HZ LYS 82 -0.915 3.243 -15.306 197 2HZ LYS 82 2HZ LYS 82 0.030 2.202 -16.257 198 3HZ LYS 82 3HZ LYS 82 -1.278 1.586 -15.367 199 H LYS 83 H LYS 83 2.100 5.434 -9.686 200 HA LYS 83 HA LYS 83 3.870 7.080 -11.086 201 1HB LYS 83 1HB LYS 83 2.000 7.484 -8.684 202 2HB LYS 83 2HB LYS 83 3.176 8.757 -9.171 203 1HG LYS 83 1HG LYS 83 1.089 9.339 -10.142 204 2HG LYS 83 2HG LYS 83 2.187 8.834 -11.471 205 1HD LYS 83 1HD LYS 83 1.001 6.658 -11.652 206 2HD LYS 83 2HD LYS 83 0.023 7.052 -10.194 207 1HE LYS 83 1HE LYS 83 -1.057 8.955 -11.388 208 2HE LYS 83 2HE LYS 83 -0.091 8.575 -12.875 209 1HZ LYS 83 1HZ LYS 83 -1.965 6.714 -11.505 210 2HZ LYS 83 2HZ LYS 83 -2.309 7.628 -12.895 211 3HZ LYS 83 3HZ LYS 83 -1.113 6.422 -12.945 212 H ALA 84 H ALA 84 3.990 5.488 -7.878 213 HA ALA 84 HA ALA 84 6.195 7.027 -6.996 214 1HB ALA 84 3HB ALA 84 4.707 5.912 -5.347 215 2HB ALA 84 1HB ALA 84 5.136 4.302 -6.025 216 3HB ALA 84 2HB ALA 84 6.391 5.294 -5.189 217 H GLY 85 H GLY 85 5.853 3.586 -8.046 218 1HA GLY 85 2HA GLY 85 8.655 3.670 -8.891 219 2HA GLY 85 1HA GLY 85 7.321 2.721 -9.673 220 H ILE 86 H ILE 86 6.020 2.020 -7.203 221 HA ILE 86 HA ILE 86 7.963 0.322 -5.880 222 HB ILE 86 HB ILE 86 5.249 1.513 -5.101 223 1HG1 ILE 86 1HG1 ILE 86 8.099 1.836 -3.968 224 2HG1 ILE 86 2HG1 ILE 86 7.213 3.038 -4.966 225 1HG2 ILE 86 1HG2 ILE 86 6.991 -0.601 -3.651 226 2HG2 ILE 86 2HG2 ILE 86 5.619 0.281 -2.883 227 3HG2 ILE 86 3HG2 ILE 86 5.300 -0.798 -4.264 228 1HD1 ILE 86 1HD1 ILE 86 5.406 3.108 -3.152 229 2HD1 ILE 86 2HD1 ILE 86 6.513 2.127 -2.114 230 3HD1 ILE 86 3HD1 ILE 86 7.017 3.761 -2.677 231 H GLU 87 H GLU 87 4.456 0.438 -6.634 232 HA GLU 87 HA GLU 87 3.045 -1.003 -7.397 233 1HB GLU 87 1HB GLU 87 4.191 -0.035 -9.442 234 2HB GLU 87 2HB GLU 87 5.059 -1.597 -9.602 235 1HG GLU 87 1HG GLU 87 2.872 -2.778 -9.904 236 2HG GLU 87 2HG GLU 87 1.977 -1.261 -9.490 237 H LEU 88 H LEU 88 3.717 -2.123 -5.316 238 HA LEU 88 HA LEU 88 4.994 -4.682 -5.912 239 1HB LEU 88 1HB LEU 88 6.318 -2.787 -4.765 240 2HB LEU 88 2HB LEU 88 5.168 -2.912 -3.413 241 HG LEU 88 HG LEU 88 5.897 -5.359 -3.105 242 1HD1 LEU 88 1HD1 LEU 88 8.082 -4.532 -5.122 243 2HD1 LEU 88 2HD1 LEU 88 8.096 -6.036 -4.121 244 3HD1 LEU 88 3HD1 LEU 88 6.825 -5.802 -5.377 245 1HD2 LEU 88 1HD2 LEU 88 6.773 -3.542 -1.658 246 2HD2 LEU 88 2HD2 LEU 88 8.043 -4.779 -1.979 247 3HD2 LEU 88 3HD2 LEU 88 8.082 -3.200 -2.852 248 H ASP 89 H ASP 89 2.202 -3.015 -4.824 249 HA ASP 89 HA ASP 89 1.348 -5.023 -2.907 250 1HB ASP 89 1HB ASP 89 -0.684 -3.191 -4.209 251 2HB ASP 89 2HB ASP 89 -0.608 -3.834 -2.564 252 H ARG 90 H ARG 90 -1.269 -5.254 -3.584 253 HA ARG 90 HA ARG 90 -2.785 -6.160 -4.842 254 1HB ARG 90 1HB ARG 90 -1.592 -5.439 -7.023 255 2HB ARG 90 2HB ARG 90 -0.802 -7.055 -6.974 256 1HG ARG 90 1HG ARG 90 -3.115 -8.118 -7.014 257 2HG ARG 90 2HG ARG 90 -3.833 -6.467 -7.081 258 1HD ARG 90 1HD ARG 90 -3.747 -7.463 -9.365 259 2HD ARG 90 2HD ARG 90 -2.570 -6.075 -9.269 260 HE ARG 90 HE ARG 90 -1.286 -8.578 -8.522 261 1HH1 ARG 90 1HH1 ARG 90 0.204 -9.506 -10.082 262 2HH1 ARG 90 2HH1 ARG 90 0.142 -9.021 -11.743 263 1HH2 ARG 90 1HH2 ARG 90 -2.548 -6.730 -11.302 264 2HH2 ARG 90 2HH2 ARG 90 -1.445 -7.420 -12.446 265 H LYS 91 H LYS 91 0.380 -7.429 -3.979 266 HA LYS 91 HA LYS 91 -0.513 -9.502 -2.678 267 1HB LYS 91 1HB LYS 91 -0.703 -10.270 -5.372 268 2HB LYS 91 2HB LYS 91 1.014 -10.643 -5.069 269 1HG LYS 91 1HG LYS 91 0.415 -12.241 -3.314 270 2HG LYS 91 2HG LYS 91 -1.283 -11.661 -3.281 271 1HD LYS 91 1HD LYS 91 -0.057 -13.022 -5.745 272 2HD LYS 91 2HD LYS 91 -0.895 -13.896 -4.411 273 1HE LYS 91 1HE LYS 91 -2.965 -12.497 -4.782 274 2HE LYS 91 2HE LYS 91 -2.170 -11.736 -6.218 275 1HZ LYS 91 1HZ LYS 91 -2.691 -14.639 -5.836 276 2HZ LYS 91 2HZ LYS 91 -3.567 -13.574 -6.824 277 3HZ LYS 91 3HZ LYS 91 -1.946 -13.926 -7.186 278 H ILE 92 H ILE 92 0.955 -9.367 -1.195 279 HA ILE 92 HA ILE 92 2.728 -9.787 -0.189 280 HB ILE 92 HB ILE 92 4.007 -10.188 -2.842 281 1HG1 ILE 92 1HG1 ILE 92 1.894 -11.650 -1.569 282 2HG1 ILE 92 2HG1 ILE 92 2.646 -11.838 -3.161 283 1HG2 ILE 92 1HG2 ILE 92 5.660 -9.897 -0.932 284 2HG2 ILE 92 2HG2 ILE 92 4.797 -11.168 0.003 285 3HG2 ILE 92 3HG2 ILE 92 5.684 -11.585 -1.515 286 1HD1 ILE 92 1HD1 ILE 92 4.426 -13.342 -2.169 287 2HD1 ILE 92 2HD1 ILE 92 3.623 -13.192 -0.553 288 3HD1 ILE 92 3HD1 ILE 92 2.761 -13.973 -1.926 289 H LEU 93 H LEU 93 2.578 -7.882 0.567 290 HA LEU 93 HA LEU 93 4.657 -6.145 0.781 291 1HB LEU 93 1HB LEU 93 4.254 -5.208 -1.286 292 2HB LEU 93 2HB LEU 93 2.543 -5.555 -1.182 293 HG LEU 93 HG LEU 93 3.452 -3.496 0.815 294 1HD1 LEU 93 1HD1 LEU 93 3.415 -2.862 -2.154 295 2HD1 LEU 93 2HD1 LEU 93 3.412 -1.652 -0.813 296 3HD1 LEU 93 3HD1 LEU 93 4.802 -2.784 -1.007 297 1HD2 LEU 93 1HD2 LEU 93 0.948 -3.959 -0.871 298 2HD2 LEU 93 2HD2 LEU 93 1.100 -3.779 0.902 299 3HD2 LEU 93 3HD2 LEU 93 1.295 -2.333 -0.136 300 H ALA 94 H ALA 94 1.353 -6.754 0.098 301 HA ALA 94 HA ALA 94 -0.080 -5.758 2.169 302 1HB ALA 94 1HB ALA 94 -0.610 -7.351 0.104 303 2HB ALA 94 2HB ALA 94 -0.169 -8.669 1.335 304 3HB ALA 94 3HB ALA 94 -1.576 -7.606 1.667 305 H ASP 95 H ASP 95 2.333 -8.421 2.088 306 HA ASP 95 HA ASP 95 1.659 -9.514 4.537 307 1HB ASP 95 1HB ASP 95 3.860 -10.448 4.566 308 2HB ASP 95 2HB ASP 95 3.219 -10.546 2.877 309 H MET 96 H MET 96 3.944 -7.062 3.430 310 HA MET 96 HA MET 96 4.683 -6.360 6.067 311 1HB MET 96 1HB MET 96 6.375 -5.537 4.837 312 2HB MET 96 2HB MET 96 5.342 -5.472 3.379 313 1HG MET 96 1HG MET 96 4.438 -3.265 3.997 314 2HG MET 96 2HG MET 96 5.499 -3.284 5.430 315 1HE MET 96 1HE MET 96 5.052 -2.354 1.882 316 2HE MET 96 2HE MET 96 6.598 -2.666 1.014 317 3HE MET 96 3HE MET 96 5.580 -4.047 1.558 318 H ALA 97 H ALA 97 1.765 -5.534 4.311 319 HA ALA 97 HA ALA 97 1.289 -3.064 5.490 320 1HB ALA 97 1HB ALA 97 -0.064 -3.918 3.550 321 2HB ALA 97 2HB ALA 97 -0.800 -5.144 4.653 322 3HB ALA 97 3HB ALA 97 -1.090 -3.391 4.936 323 H VAL 98 H VAL 98 0.724 -6.404 6.595 324 HA VAL 98 HA VAL 98 -0.648 -5.368 8.943 325 HB VAL 98 HB VAL 98 0.026 -8.284 8.569 326 1HG1 VAL 98 1HG1 VAL 98 -1.062 -7.426 10.665 327 2HG1 VAL 98 2HG1 VAL 98 -2.407 -6.733 9.681 328 3HG1 VAL 98 3HG1 VAL 98 -2.165 -8.520 9.751 329 1HG2 VAL 98 1HG2 VAL 98 -2.132 -6.787 6.955 330 2HG2 VAL 98 2HG2 VAL 98 -0.766 -7.810 6.337 331 3HG2 VAL 98 3HG2 VAL 98 -2.114 -8.568 7.235 332 H ARG 99 H ARG 99 2.182 -7.219 7.823 333 HA ARG 99 HA ARG 99 2.893 -7.929 10.454 334 1HB ARG 99 1HB ARG 99 4.222 -8.509 7.737 335 2HB ARG 99 2HB ARG 99 4.822 -9.090 9.317 336 1HG ARG 99 1HG ARG 99 3.713 -10.934 8.715 337 2HG ARG 99 2HG ARG 99 2.426 -10.117 9.647 338 1HD ARG 99 1HD ARG 99 1.241 -9.572 7.383 339 2HD ARG 99 2HD ARG 99 2.631 -10.272 6.532 340 HE ARG 99 HE ARG 99 1.976 -12.421 7.144 341 1HH1 ARG 99 1HH1 ARG 99 0.552 -13.992 8.102 342 2HH1 ARG 99 2HH1 ARG 99 -0.700 -13.489 9.187 343 1HH2 ARG 99 1HH2 ARG 99 0.080 -10.026 9.011 344 2HH2 ARG 99 2HH2 ARG 99 -0.971 -11.214 9.708 345 H ASP 100 H ASP 100 4.148 -5.557 8.052 346 HA ASP 100 HA ASP 100 6.120 -4.747 10.019 347 1HB ASP 100 1HB ASP 100 6.972 -5.960 7.873 348 2HB ASP 100 2HB ASP 100 6.518 -4.529 6.970 349 HA PRO 101 HA PRO 101 3.219 -1.555 8.473 350 1HB PRO 101 1HB PRO 101 2.539 -0.323 10.921 351 2HB PRO 101 2HB PRO 101 1.709 -1.785 10.243 352 1HG PRO 101 1HG PRO 101 3.959 -1.677 12.310 353 2HG PRO 101 2HG PRO 101 2.454 -2.692 12.337 354 1HD PRO 101 1HD PRO 101 4.940 -3.644 11.436 355 2HD PRO 101 2HD PRO 101 3.409 -4.211 10.620 356 H GLN 102 H GLN 102 6.243 -1.412 10.068 357 HA GLN 102 HA GLN 102 6.552 1.396 10.163 358 1HB GLN 102 1HB GLN 102 8.039 -0.234 11.403 359 2HB GLN 102 2HB GLN 102 8.623 -0.859 9.826 360 1HG GLN 102 1HG GLN 102 9.582 1.439 9.298 361 2HG GLN 102 2HG GLN 102 9.044 1.996 10.931 362 1HE2 GLN 102 2HE2 GLN 102 9.799 0.588 12.826 363 2HE2 GLN 102 1HE2 GLN 102 11.391 -0.092 12.751 364 H ALA 103 H ALA 103 7.160 -1.253 7.716 365 HA ALA 103 HA ALA 103 8.399 0.728 6.026 366 1HB ALA 103 1HB ALA 103 8.127 -2.320 5.821 367 2HB ALA 103 3HB ALA 103 9.607 -1.413 6.293 368 3HB ALA 103 2HB ALA 103 8.977 -1.278 4.609 369 H PHE 104 H PHE 104 5.454 -1.357 6.381 370 HA PHE 104 HA PHE 104 4.296 -0.573 4.039 371 1HB PHE 104 1HB PHE 104 3.094 -1.939 5.819 372 2HB PHE 104 2HB PHE 104 2.831 -0.399 6.738 373 HD1 PHE 104 HD1 PHE 104 0.771 0.498 6.464 374 HD2 PHE 104 HD2 PHE 104 2.491 -1.594 3.164 375 HE1 PHE 104 HE1 PHE 104 -1.237 0.946 5.124 376 HE2 PHE 104 HE2 PHE 104 0.492 -1.128 1.828 377 HZ PHE 104 HZ PHE 104 -1.378 0.139 2.803 378 H GLU 105 H GLU 105 4.642 1.489 7.031 379 HA GLU 105 HA GLU 105 3.112 3.566 5.939 380 1HB GLU 105 1HB GLU 105 5.134 3.410 8.193 381 2HB GLU 105 2HB GLU 105 4.495 5.005 7.652 382 1HG GLU 105 1HG GLU 105 2.177 4.345 8.113 383 2HG GLU 105 2HG GLU 105 2.685 2.673 8.549 384 H GLN 106 H GLN 106 6.412 2.574 5.252 385 HA GLN 106 HA GLN 106 7.251 5.175 4.397 386 1HB GLN 106 1HB GLN 106 8.308 2.338 3.899 387 2HB GLN 106 2HB GLN 106 8.996 3.780 3.112 388 1HG GLN 106 1HG GLN 106 9.608 4.744 5.335 389 2HG GLN 106 2HG GLN 106 8.780 3.381 6.181 390 1HE2 GLN 106 2HE2 GLN 106 10.183 1.943 6.966 391 2HE2 GLN 106 1HE2 GLN 106 11.635 1.387 6.201 392 H VAL 107 H VAL 107 5.795 2.257 2.988 393 HA VAL 107 HA VAL 107 6.077 3.075 0.291 394 HB VAL 107 HB VAL 107 4.163 1.126 1.668 395 1HG1 VAL 107 1HG1 VAL 107 4.386 1.855 -1.327 396 2HG1 VAL 107 2HG1 VAL 107 3.615 0.358 -0.706 397 3HG1 VAL 107 3HG1 VAL 107 2.910 1.945 -0.288 398 1HG2 VAL 107 1HG2 VAL 107 6.618 0.811 -0.190 399 2HG2 VAL 107 2HG2 VAL 107 6.573 0.469 1.581 400 3HG2 VAL 107 3HG2 VAL 107 5.608 -0.540 0.442 401 H VAL 108 H VAL 108 3.574 3.421 2.786 402 HA VAL 108 HA VAL 108 1.623 4.604 1.204 403 HB VAL 108 HB VAL 108 2.354 4.521 4.153 404 1HG1 VAL 108 1HG1 VAL 108 -0.032 6.039 2.924 405 2HG1 VAL 108 2HG1 VAL 108 0.112 5.551 4.657 406 3HG1 VAL 108 3HG1 VAL 108 1.288 6.712 3.974 407 1HG2 VAL 108 1HG2 VAL 108 1.444 2.490 2.928 408 2HG2 VAL 108 2HG2 VAL 108 0.366 3.064 4.253 409 3HG2 VAL 108 3HG2 VAL 108 -0.041 3.431 2.534 410 H ASN 109 H ASN 109 4.383 5.923 3.036 411 HA ASN 109 HA ASN 109 3.636 8.596 2.891 412 1HB ASN 109 1HB ASN 109 5.476 7.767 4.395 413 2HB ASN 109 2HB ASN 109 6.466 7.368 2.943 414 1HD2 ASN 109 2HD2 ASN 109 7.925 8.835 2.354 415 2HD2 ASN 109 1HD2 ASN 109 7.863 10.540 2.659 416 H LYS 110 H LYS 110 5.589 6.518 0.702 417 HA LYS 110 HA LYS 110 6.353 8.638 -0.971 418 1HB LYS 110 1HB LYS 110 6.213 5.606 -1.372 419 2HB LYS 110 2HB LYS 110 6.935 6.718 -2.588 420 1HG LYS 110 1HG LYS 110 8.712 7.375 -1.088 421 2HG LYS 110 2HG LYS 110 7.904 6.633 0.332 422 1HD LYS 110 1HD LYS 110 8.149 4.363 -0.691 423 2HD LYS 110 2HD LYS 110 9.074 5.085 -2.057 424 1HE LYS 110 1HE LYS 110 9.884 5.233 0.933 425 2HE LYS 110 2HE LYS 110 10.576 4.087 -0.289 426 1HZ LYS 110 1HZ LYS 110 10.671 7.055 -0.436 427 2HZ LYS 110 2HZ LYS 110 11.942 6.029 0.028 428 3HZ LYS 110 3HZ LYS 110 11.336 5.966 -1.557 429 H VAL 111 H VAL 111 3.547 6.436 -0.922 430 HA VAL 111 HA VAL 111 2.791 7.219 -3.606 431 HB VAL 111 HB VAL 111 1.666 5.260 -1.533 432 1HG1 VAL 111 1HG1 VAL 111 0.662 5.938 -4.381 433 2HG1 VAL 111 2HG1 VAL 111 0.243 4.414 -3.518 434 3HG1 VAL 111 3HG1 VAL 111 -0.285 5.992 -2.845 435 1HG2 VAL 111 1HG2 VAL 111 3.862 4.657 -2.696 436 2HG2 VAL 111 2HG2 VAL 111 2.512 3.552 -3.128 437 3HG2 VAL 111 3HG2 VAL 111 3.020 4.839 -4.280 438 H LYS 112 H LYS 112 2.368 8.426 -0.435 439 HA LYS 112 HA LYS 112 -0.206 9.501 -1.085 440 1HB LYS 112 1HB LYS 112 0.125 9.178 1.248 441 2HB LYS 112 2HB LYS 112 1.829 9.704 1.174 442 1HG LYS 112 1HG LYS 112 -0.348 11.784 0.702 443 2HG LYS 112 2HG LYS 112 -0.098 11.150 2.359 444 1HD LYS 112 1HD LYS 112 2.175 12.363 0.684 445 2HD LYS 112 2HD LYS 112 1.160 13.278 1.854 446 1HE LYS 112 1HE LYS 112 1.954 11.827 3.724 447 2HE LYS 112 2HE LYS 112 2.982 10.886 2.567 448 1HZ LYS 112 1HZ LYS 112 4.126 12.922 2.013 449 2HZ LYS 112 2HZ LYS 112 3.179 13.796 3.119 450 3HZ LYS 112 3HZ LYS 112 4.228 12.580 3.673 451 H GLU 113 H GLU 113 3.145 10.226 -1.609 452 HA GLU 113 HA GLU 113 2.659 12.991 -2.273 453 1HB GLU 113 1HB GLU 113 4.643 12.206 -1.138 454 2HB GLU 113 2HB GLU 113 4.983 10.994 -2.389 455 1HG GLU 113 1HG GLU 113 5.474 12.729 -4.087 456 2HG GLU 113 2HG GLU 113 5.091 14.032 -2.895 457 H ALA 114 H ALA 114 3.446 9.912 -3.659 458 HA ALA 114 HA ALA 114 3.781 10.830 -6.314 459 1HB ALA 114 2HB ALA 114 3.022 7.972 -5.484 460 2HB ALA 114 1HB ALA 114 4.716 8.603 -5.524 461 3HB ALA 114 3HB ALA 114 3.758 8.482 -7.039 462 H LEU 115 H LEU 115 0.982 9.779 -4.428 463 HA LEU 115 HA LEU 115 -0.855 9.712 -6.706 464 1HB LEU 115 1HB LEU 115 -1.384 8.320 -4.740 465 2HB LEU 115 2HB LEU 115 -1.312 9.803 -3.715 466 HG LEU 115 HG LEU 115 -3.054 10.820 -5.047 467 1HD1 LEU 115 1HD1 LEU 115 -2.951 9.609 -7.219 468 2HD1 LEU 115 2HD1 LEU 115 -3.404 8.062 -6.408 469 3HD1 LEU 115 3HD1 LEU 115 -4.593 9.412 -6.514 470 1HD2 LEU 115 1HD2 LEU 115 -3.549 9.542 -2.904 471 2HD2 LEU 115 2HD2 LEU 115 -4.964 9.537 -4.025 472 3HD2 LEU 115 3HD2 LEU 115 -3.916 8.076 -3.880 473 H GLN 116 H GLN 116 0.439 11.697 -4.178 474 HA GLN 116 HA GLN 116 0.483 13.846 -3.841 475 1HB GLN 116 1HB GLN 116 1.012 13.997 -6.370 476 2HB GLN 116 2HB GLN 116 -0.691 14.530 -6.567 477 1HG GLN 116 1HG GLN 116 -0.204 16.435 -4.917 478 2HG GLN 116 2HG GLN 116 1.514 15.875 -4.861 479 1HE2 GLN 116 2HE2 GLN 116 -0.761 17.863 -6.459 480 2HE2 GLN 116 1HE2 GLN 116 0.126 18.211 -7.906 481 H VAL 117 H VAL 117 -1.373 12.452 -2.720 482 HA VAL 117 HA VAL 117 -3.718 14.176 -2.736 483 HB VAL 117 HB VAL 117 -4.065 11.697 -2.607 484 1HG1 VAL 117 1HG1 VAL 117 -1.995 11.127 -1.303 485 2HG1 VAL 117 2HG1 VAL 117 -2.680 11.948 0.154 486 3HG1 VAL 117 3HG1 VAL 117 -3.485 10.493 -0.524 487 1HG2 VAL 117 1HG2 VAL 117 -5.718 13.362 -1.740 488 2HG2 VAL 117 2HG2 VAL 117 -5.744 11.808 -0.827 489 3HG2 VAL 117 3HG2 VAL 117 -4.967 13.257 -0.102 490 H GLN 118 H GLN 118 -0.511 13.811 -1.782 491 HA GLN 118 HA GLN 118 -0.533 14.853 0.775 492 1HB GLN 118 1HB GLN 118 1.684 15.731 0.435 493 2HB GLN 118 2HB GLN 118 1.575 14.162 -0.440 494 1HG GLN 118 1HG GLN 118 1.289 15.365 -2.603 495 2HG GLN 118 2HG GLN 118 1.379 16.956 -1.757 496 1HE2 GLN 118 2HE2 GLN 118 3.203 16.789 -3.594 497 2HE2 GLN 118 1HE2 GLN 118 4.780 16.414 -2.984 No H/Q in entry = 497 Start of MODEL 7 1 H1 TRP 59 1H TRP 59 -4.134 -12.350 0.564 2 H2 TRP 59 2H TRP 59 -3.195 -12.913 -0.736 3 H3 TRP 59 3H TRP 59 -2.692 -13.199 0.860 4 HA TRP 59 HA TRP 59 -2.415 -10.888 1.230 5 1HB TRP 59 1HB TRP 59 -0.864 -11.661 -1.315 6 2HB TRP 59 2HB TRP 59 -0.326 -10.668 0.068 7 HD1 TRP 59 HD1 TRP 59 -0.500 -14.283 -1.113 8 HE1 TRP 59 HE1 TRP 59 0.593 -15.778 0.661 9 HE3 TRP 59 HE3 TRP 59 -0.075 -10.859 2.600 10 HZ2 TRP 59 HZ2 TRP 59 1.499 -15.517 3.329 11 HZ3 TRP 59 HZ3 TRP 59 0.869 -11.549 4.758 12 HH2 TRP 59 HH2 TRP 59 1.658 -13.833 5.114 13 H ILE 60 H ILE 60 -4.686 -10.154 0.713 14 HA ILE 60 HA ILE 60 -4.794 -8.699 -1.741 15 HB ILE 60 HB ILE 60 -7.327 -9.818 -1.674 16 1HG1 ILE 60 1HG1 ILE 60 -6.834 -12.228 -2.125 17 2HG1 ILE 60 2HG1 ILE 60 -5.159 -12.008 -1.521 18 1HG2 ILE 60 1HG2 ILE 60 -6.055 -8.829 -3.530 19 2HG2 ILE 60 2HG2 ILE 60 -4.886 -10.211 -3.504 20 3HG2 ILE 60 3HG2 ILE 60 -6.616 -10.494 -3.951 21 1HD1 ILE 60 1HD1 ILE 60 -7.738 -11.533 0.098 22 2HD1 ILE 60 2HD1 ILE 60 -6.628 -12.963 0.263 23 3HD1 ILE 60 3HD1 ILE 60 -6.056 -11.300 0.693 24 H ALA 61 H ALA 61 -6.992 -9.691 0.929 25 HA ALA 61 HA ALA 61 -8.329 -7.151 0.640 26 1HB ALA 61 1HB ALA 61 -8.898 -9.576 2.458 27 2HB ALA 61 3HB ALA 61 -9.709 -9.257 0.879 28 3HB ALA 61 2HB ALA 61 -9.973 -8.139 2.267 29 H ARG 62 H ARG 62 -5.666 -8.420 2.216 30 HA ARG 62 HA ARG 62 -6.044 -7.097 4.715 31 1HB ARG 62 1HB ARG 62 -3.270 -7.460 4.261 32 2HB ARG 62 2HB ARG 62 -4.350 -8.418 5.336 33 1HG ARG 62 1HG ARG 62 -4.760 -10.014 3.381 34 2HG ARG 62 2HG ARG 62 -3.726 -8.959 2.362 35 1HD ARG 62 1HD ARG 62 -2.450 -10.961 3.255 36 2HD ARG 62 2HD ARG 62 -1.752 -9.384 3.778 37 HE ARG 62 HE ARG 62 -2.505 -9.775 6.001 38 1HH1 ARG 62 1HH1 ARG 62 -2.954 -11.298 7.701 39 2HH1 ARG 62 2HH1 ARG 62 -3.506 -12.894 7.322 40 1HH2 ARG 62 1HH2 ARG 62 -3.475 -12.423 3.800 41 2HH2 ARG 62 2HH2 ARG 62 -3.806 -13.542 5.081 42 H ILE 63 H ILE 63 -4.861 -6.292 1.423 43 HA ILE 63 HA ILE 63 -3.380 -4.092 2.104 44 HB ILE 63 HB ILE 63 -4.898 -4.838 -0.468 45 1HG1 ILE 63 1HG1 ILE 63 -2.261 -5.896 0.652 46 2HG1 ILE 63 2HG1 ILE 63 -3.741 -6.880 0.373 47 1HG2 ILE 63 1HG2 ILE 63 -2.240 -3.449 0.156 48 2HG2 ILE 63 2HG2 ILE 63 -2.907 -3.728 -1.509 49 3HG2 ILE 63 3HG2 ILE 63 -3.767 -2.615 -0.368 50 1HD1 ILE 63 1HD1 ILE 63 -3.569 -6.203 -2.124 51 2HD1 ILE 63 2HD1 ILE 63 -1.888 -5.656 -1.716 52 3HD1 ILE 63 3HD1 ILE 63 -2.355 -7.373 -1.495 53 H ASN 64 H ASN 64 -6.674 -4.890 0.940 54 HA ASN 64 HA ASN 64 -7.602 -2.306 0.637 55 1HB ASN 64 1HB ASN 64 -8.660 -4.736 0.119 56 2HB ASN 64 2HB ASN 64 -9.446 -4.490 1.716 57 1HD2 ASN 64 2HD2 ASN 64 -10.077 -4.318 -1.442 58 2HD2 ASN 64 1HD2 ASN 64 -11.112 -2.934 -1.557 59 H ALA 65 H ALA 65 -7.447 -4.507 3.420 60 HA ALA 65 HA ALA 65 -8.973 -2.893 5.132 61 1HB ALA 65 2HB ALA 65 -8.086 -4.350 6.976 62 2HB ALA 65 3HB ALA 65 -8.664 -5.342 5.585 63 3HB ALA 65 1HB ALA 65 -6.897 -5.059 5.820 64 H ALA 66 H ALA 66 -5.489 -2.954 4.252 65 HA ALA 66 HA ALA 66 -4.805 -1.586 6.662 66 1HB ALA 66 2HB ALA 66 -3.220 -1.898 4.046 67 2HB ALA 66 3HB ALA 66 -2.555 -1.342 5.630 68 3HB ALA 66 1HB ALA 66 -3.146 -3.033 5.445 69 H VAL 67 H VAL 67 -5.665 -0.648 3.319 70 HA VAL 67 HA VAL 67 -4.412 1.911 3.733 71 HB VAL 67 HB VAL 67 -4.843 2.354 1.383 72 1HG1 VAL 67 1HG1 VAL 67 -3.583 -0.393 1.952 73 2HG1 VAL 67 2HG1 VAL 67 -3.441 0.542 0.422 74 3HG1 VAL 67 3HG1 VAL 67 -2.778 1.224 1.949 75 1HG2 VAL 67 1HG2 VAL 67 -6.347 -0.353 1.456 76 2HG2 VAL 67 2HG2 VAL 67 -7.025 1.249 1.045 77 3HG2 VAL 67 3HG2 VAL 67 -5.816 0.490 -0.039 78 H ARG 68 H ARG 68 -7.400 0.709 4.563 79 HA ARG 68 HA ARG 68 -9.031 2.626 3.291 80 1HB ARG 68 1HB ARG 68 -10.882 1.701 4.568 81 2HB ARG 68 2HB ARG 68 -9.841 0.372 3.963 82 1HG ARG 68 1HG ARG 68 -8.673 0.421 6.279 83 2HG ARG 68 2HG ARG 68 -10.026 1.466 6.834 84 1HD ARG 68 1HD ARG 68 -11.673 -0.335 6.227 85 2HD ARG 68 2HD ARG 68 -10.293 -1.334 5.577 86 HE ARG 68 HE ARG 68 -9.941 -0.429 8.377 87 1HH1 ARG 68 1HH1 ARG 68 -9.856 -2.144 9.972 88 2HH1 ARG 68 2HH1 ARG 68 -10.382 -3.741 9.561 89 1HH2 ARG 68 1HH2 ARG 68 -11.251 -2.944 6.206 90 2HH2 ARG 68 2HH2 ARG 68 -11.184 -4.201 7.395 91 H ALA 69 H ALA 69 -6.927 2.866 5.960 92 HA ALA 69 HA ALA 69 -8.461 4.590 7.575 93 1HB ALA 69 2HB ALA 69 -6.241 5.204 8.593 94 2HB ALA 69 1HB ALA 69 -5.402 4.345 7.244 95 3HB ALA 69 3HB ALA 69 -6.394 3.413 8.428 96 H TYR 70 H TYR 70 -6.409 4.945 4.676 97 HA TYR 70 HA TYR 70 -6.092 7.740 5.085 98 1HB TYR 70 1HB TYR 70 -5.544 6.086 2.540 99 2HB TYR 70 2HB TYR 70 -4.839 7.706 2.955 100 HD1 TYR 70 HD1 TYR 70 -4.045 4.419 2.723 101 HD2 TYR 70 HD2 TYR 70 -3.897 7.556 5.617 102 HE1 TYR 70 HE1 TYR 70 -2.289 3.219 3.946 103 HE2 TYR 70 HE2 TYR 70 -2.161 6.343 6.838 104 HH TYR 70 HH TYR 70 -0.940 3.193 5.725 105 H GLY 71 H GLY 71 -7.991 5.575 2.910 106 1HA GLY 71 2HA GLY 71 -9.216 7.957 1.747 107 2HA GLY 71 1HA GLY 71 -10.221 6.617 2.459 108 H LEU 72 H LEU 72 -7.204 5.562 1.316 109 HA LEU 72 HA LEU 72 -7.963 5.003 -1.398 110 1HB LEU 72 1HB LEU 72 -5.867 3.769 0.456 111 2HB LEU 72 2HB LEU 72 -5.957 3.485 -1.318 112 HG LEU 72 HG LEU 72 -5.402 6.192 0.068 113 1HD1 LEU 72 1HD1 LEU 72 -3.543 4.571 0.400 114 2HD1 LEU 72 2HD1 LEU 72 -3.491 4.265 -1.375 115 3HD1 LEU 72 3HD1 LEU 72 -3.059 5.894 -0.731 116 1HD2 LEU 72 1HD2 LEU 72 -5.335 5.349 -2.889 117 2HD2 LEU 72 2HD2 LEU 72 -6.510 6.479 -2.143 118 3HD2 LEU 72 3HD2 LEU 72 -4.769 6.950 -2.259 119 H ASN 73 H ASN 73 -8.418 2.984 -2.220 120 HA ASN 73 HA ASN 73 -9.643 1.283 -0.241 121 1HB ASN 73 1HB ASN 73 -11.662 0.924 -1.608 122 2HB ASN 73 2HB ASN 73 -11.454 2.685 -1.302 123 1HD2 ASN 73 2HD2 ASN 73 -10.258 3.956 -3.071 124 2HD2 ASN 73 1HD2 ASN 73 -10.579 3.521 -4.716 125 H TYR 74 H TYR 74 -7.097 1.213 -1.689 126 HA TYR 74 HA TYR 74 -5.783 -0.345 -2.356 127 1HB TYR 74 1HB TYR 74 -6.382 -2.281 -1.437 128 2HB TYR 74 2HB TYR 74 -8.083 -2.180 -1.969 129 HD1 TYR 74 HD1 TYR 74 -4.893 -3.674 -2.619 130 HD2 TYR 74 HD2 TYR 74 -8.705 -2.748 -4.295 131 HE1 TYR 74 HE1 TYR 74 -4.563 -5.402 -4.307 132 HE2 TYR 74 HE2 TYR 74 -8.370 -4.487 -5.995 133 HH TYR 74 HH TYR 74 -5.384 -6.440 -6.090 134 H SER 75 H SER 75 -8.469 0.803 -4.201 135 HA SER 75 HA SER 75 -7.419 -0.227 -6.691 136 1HB SER 75 1HB SER 75 -9.925 -0.040 -6.380 137 2HB SER 75 2HB SER 75 -9.733 1.744 -6.164 138 HG SER 75 HG SER 75 -9.012 1.899 -8.227 139 H THR 76 H THR 76 -7.680 2.809 -4.810 140 HA THR 76 HA THR 76 -6.426 4.257 -6.966 141 HB THR 76 HB THR 76 -6.548 6.117 -5.134 142 HG1 THR 76 HG1 THR 76 -8.320 4.110 -4.176 143 1HG2 THR 76 1HG2 THR 76 -9.101 4.812 -6.316 144 2HG2 THR 76 2HG2 THR 76 -8.957 6.509 -5.725 145 3HG2 THR 76 3HG2 THR 76 -8.022 5.978 -7.172 146 H PHE 77 H PHE 77 -5.708 2.466 -4.094 147 HA PHE 77 HA PHE 77 -3.163 3.528 -3.537 148 1HB PHE 77 1HB PHE 77 -4.490 1.786 -2.111 149 2HB PHE 77 2HB PHE 77 -4.135 0.593 -3.390 150 HD1 PHE 77 HD1 PHE 77 -1.716 3.130 -1.915 151 HD2 PHE 77 HD2 PHE 77 -2.901 -0.947 -2.413 152 HE1 PHE 77 HE1 PHE 77 0.292 2.401 -0.742 153 HE2 PHE 77 HE2 PHE 77 -0.877 -1.666 -1.227 154 HZ PHE 77 HZ PHE 77 0.713 0.005 -0.365 155 H ILE 78 H ILE 78 -4.592 1.065 -5.602 156 HA ILE 78 HA ILE 78 -2.416 -0.200 -6.523 157 HB ILE 78 HB ILE 78 -5.160 -0.182 -7.114 158 1HG1 ILE 78 1HG1 ILE 78 -2.912 -2.073 -7.961 159 2HG1 ILE 78 2HG1 ILE 78 -3.551 -1.945 -6.282 160 1HG2 ILE 78 1HG2 ILE 78 -4.719 0.945 -9.302 161 2HG2 ILE 78 2HG2 ILE 78 -3.466 -0.307 -9.700 162 3HG2 ILE 78 3HG2 ILE 78 -5.196 -0.756 -9.521 163 1HD1 ILE 78 1HD1 ILE 78 -5.823 -2.608 -7.061 164 2HD1 ILE 78 2HD1 ILE 78 -5.193 -2.821 -8.744 165 3HD1 ILE 78 3HD1 ILE 78 -4.585 -3.870 -7.412 166 H ASN 79 H ASN 79 -3.862 2.847 -7.684 167 HA ASN 79 HA ASN 79 -2.222 2.821 -10.017 168 1HB ASN 79 1HB ASN 79 -3.198 4.780 -10.752 169 2HB ASN 79 2HB ASN 79 -4.551 3.834 -9.979 170 1HD2 ASN 79 2HD2 ASN 79 -2.593 6.763 -10.087 171 2HD2 ASN 79 1HD2 ASN 79 -3.527 7.700 -8.970 172 H GLY 80 H GLY 80 -2.495 4.728 -7.187 173 1HA GLY 80 2HA GLY 80 -1.078 6.179 -6.100 174 2HA GLY 80 1HA GLY 80 -0.433 6.502 -7.745 175 H LEU 81 H LEU 81 -0.167 3.257 -6.544 176 HA LEU 81 HA LEU 81 2.437 3.426 -5.445 177 1HB LEU 81 1HB LEU 81 1.076 1.251 -7.033 178 2HB LEU 81 2HB LEU 81 2.579 0.959 -6.270 179 HG LEU 81 HG LEU 81 0.410 1.904 -4.414 180 1HD1 LEU 81 1HD1 LEU 81 0.909 -0.933 -5.487 181 2HD1 LEU 81 2HD1 LEU 81 -0.081 -0.563 -4.019 182 3HD1 LEU 81 3HD1 LEU 81 -0.595 0.023 -5.647 183 1HD2 LEU 81 1HD2 LEU 81 2.792 1.856 -3.643 184 2HD2 LEU 81 2HD2 LEU 81 1.798 0.621 -2.787 185 3HD2 LEU 81 3HD2 LEU 81 2.907 0.122 -4.114 186 H LYS 82 H LYS 82 1.121 2.996 -8.761 187 HA LYS 82 HA LYS 82 3.635 2.383 -9.879 188 1HB LYS 82 1HB LYS 82 1.373 1.739 -10.868 189 2HB LYS 82 2HB LYS 82 1.088 3.477 -11.220 190 1HG LYS 82 1HG LYS 82 3.040 3.510 -12.763 191 2HG LYS 82 2HG LYS 82 3.385 1.783 -12.379 192 1HD LYS 82 1HD LYS 82 1.241 1.097 -13.393 193 2HD LYS 82 2HD LYS 82 0.732 2.812 -13.570 194 1HE LYS 82 1HE LYS 82 1.511 1.885 -15.762 195 2HE LYS 82 2HE LYS 82 2.592 3.226 -15.195 196 1HZ LYS 82 1HZ LYS 82 4.071 1.499 -14.299 197 2HZ LYS 82 2HZ LYS 82 3.096 0.307 -15.012 198 3HZ LYS 82 3HZ LYS 82 3.893 1.443 -15.987 199 H LYS 83 H LYS 83 1.796 5.291 -9.126 200 HA LYS 83 HA LYS 83 3.164 7.062 -10.790 201 1HB LYS 83 1HB LYS 83 0.933 7.487 -9.610 202 2HB LYS 83 2HB LYS 83 1.825 7.570 -8.064 203 1HG LYS 83 1HG LYS 83 1.332 9.785 -8.777 204 2HG LYS 83 2HG LYS 83 3.106 9.570 -8.926 205 1HD LYS 83 1HD LYS 83 2.876 9.280 -11.393 206 2HD LYS 83 2HD LYS 83 1.083 9.378 -11.253 207 1HE LYS 83 1HE LYS 83 3.043 11.652 -10.497 208 2HE LYS 83 2HE LYS 83 2.086 11.547 -12.033 209 1HZ LYS 83 1HZ LYS 83 0.077 11.557 -10.712 210 2HZ LYS 83 2HZ LYS 83 0.979 11.680 -9.277 211 3HZ LYS 83 3HZ LYS 83 1.023 12.938 -10.418 212 H ALA 84 H ALA 84 3.712 5.759 -7.489 213 HA ALA 84 HA ALA 84 5.981 7.358 -6.982 214 1HB ALA 84 1HB ALA 84 4.780 6.222 -5.109 215 2HB ALA 84 2HB ALA 84 5.235 4.621 -5.798 216 3HB ALA 84 3HB ALA 84 6.511 5.727 -5.182 217 H GLY 85 H GLY 85 5.525 3.971 -8.075 218 1HA GLY 85 2HA GLY 85 8.238 4.054 -9.168 219 2HA GLY 85 1HA GLY 85 6.800 3.320 -9.991 220 H ILE 86 H ILE 86 5.687 2.337 -7.409 221 HA ILE 86 HA ILE 86 7.652 0.367 -6.632 222 HB ILE 86 HB ILE 86 5.164 1.614 -5.365 223 1HG1 ILE 86 1HG1 ILE 86 8.157 1.545 -4.619 224 2HG1 ILE 86 2HG1 ILE 86 7.240 2.962 -5.236 225 1HG2 ILE 86 1HG2 ILE 86 6.804 -0.852 -4.493 226 2HG2 ILE 86 2HG2 ILE 86 5.665 0.034 -3.405 227 3HG2 ILE 86 3HG2 ILE 86 5.036 -0.728 -4.874 228 1HD1 ILE 86 1HD1 ILE 86 5.782 2.891 -3.169 229 2HD1 ILE 86 2HD1 ILE 86 6.811 1.551 -2.526 230 3HD1 ILE 86 3HD1 ILE 86 7.528 3.170 -2.801 231 H GLU 87 H GLU 87 4.164 0.927 -7.359 232 HA GLU 87 HA GLU 87 2.605 -0.216 -8.306 233 1HB GLU 87 1HB GLU 87 4.268 0.026 -10.273 234 2HB GLU 87 2HB GLU 87 4.670 -1.698 -9.980 235 1HG GLU 87 1HG GLU 87 2.084 -2.148 -10.262 236 2HG GLU 87 2HG GLU 87 1.975 -0.450 -10.846 237 H LEU 88 H LEU 88 3.232 -1.247 -5.844 238 HA LEU 88 HA LEU 88 3.313 -4.138 -6.306 239 1HB LEU 88 1HB LEU 88 5.462 -2.804 -5.546 240 2HB LEU 88 2HB LEU 88 4.632 -2.679 -3.983 241 HG LEU 88 HG LEU 88 4.430 -5.275 -4.011 242 1HD1 LEU 88 1HD1 LEU 88 6.494 -4.924 -6.280 243 2HD1 LEU 88 2HD1 LEU 88 6.083 -6.487 -5.470 244 3HD1 LEU 88 3HD1 LEU 88 4.842 -5.629 -6.459 245 1HD2 LEU 88 1HD2 LEU 88 6.095 -4.059 -2.597 246 2HD2 LEU 88 2HD2 LEU 88 6.763 -5.615 -3.217 247 3HD2 LEU 88 3HD2 LEU 88 7.265 -4.053 -3.971 248 H ASP 89 H ASP 89 1.694 -5.232 -5.413 249 HA ASP 89 HA ASP 89 0.670 -4.984 -2.875 250 1HB ASP 89 1HB ASP 89 -1.710 -4.239 -3.395 251 2HB ASP 89 2HB ASP 89 -0.595 -2.884 -3.546 252 H ARG 90 H ARG 90 1.321 -6.247 -5.783 253 HA ARG 90 HA ARG 90 -1.303 -7.246 -6.066 254 1HB ARG 90 1HB ARG 90 1.154 -7.695 -7.880 255 2HB ARG 90 2HB ARG 90 -0.556 -8.046 -8.328 256 1HG ARG 90 1HG ARG 90 -1.101 -5.597 -8.040 257 2HG ARG 90 2HG ARG 90 0.624 -5.267 -7.653 258 1HD ARG 90 1HD ARG 90 1.301 -6.094 -9.931 259 2HD ARG 90 2HD ARG 90 -0.447 -6.276 -10.370 260 HE ARG 90 HE ARG 90 1.075 -3.745 -9.923 261 1HH1 ARG 90 1HH1 ARG 90 -0.035 -1.771 -10.478 262 2HH1 ARG 90 2HH1 ARG 90 -1.732 -1.790 -10.826 263 1HH2 ARG 90 1HH2 ARG 90 -2.126 -5.287 -10.335 264 2HH2 ARG 90 2HH2 ARG 90 -2.934 -3.808 -10.746 265 H LYS 91 H LYS 91 0.105 -8.179 -3.781 266 HA LYS 91 HA LYS 91 -0.360 -9.900 -2.700 267 1HB LYS 91 1HB LYS 91 0.796 -11.690 -4.908 268 2HB LYS 91 2HB LYS 91 0.433 -12.218 -3.231 269 1HG LYS 91 1HG LYS 91 -1.946 -11.591 -3.478 270 2HG LYS 91 2HG LYS 91 -1.672 -11.178 -5.205 271 1HD LYS 91 1HD LYS 91 -1.004 -13.523 -5.675 272 2HD LYS 91 2HD LYS 91 -1.129 -13.933 -3.927 273 1HE LYS 91 1HE LYS 91 -3.585 -13.450 -3.960 274 2HE LYS 91 2HE LYS 91 -3.482 -13.022 -5.717 275 1HZ LYS 91 1HZ LYS 91 -2.781 -15.652 -4.515 276 2HZ LYS 91 2HZ LYS 91 -4.198 -15.283 -5.376 277 3HZ LYS 91 3HZ LYS 91 -2.694 -15.245 -6.161 278 H ILE 92 H ILE 92 0.883 -10.041 -1.069 279 HA ILE 92 HA ILE 92 2.494 -10.618 0.150 280 HB ILE 92 HB ILE 92 4.048 -10.989 -2.364 281 1HG1 ILE 92 1HG1 ILE 92 1.714 -12.359 -1.377 282 2HG1 ILE 92 2HG1 ILE 92 2.586 -12.469 -2.917 283 1HG2 ILE 92 1HG2 ILE 92 4.487 -12.210 0.461 284 2HG2 ILE 92 2HG2 ILE 92 5.391 -12.715 -1.020 285 3HG2 ILE 92 3HG2 ILE 92 5.610 -11.079 -0.383 286 1HD1 ILE 92 1HD1 ILE 92 4.120 -14.213 -1.992 287 2HD1 ILE 92 2HD1 ILE 92 3.264 -14.124 -0.395 288 3HD1 ILE 92 3HD1 ILE 92 2.396 -14.698 -1.864 289 H LEU 93 H LEU 93 2.267 -7.762 -1.320 290 HA LEU 93 HA LEU 93 4.467 -6.596 0.311 291 1HB LEU 93 1HB LEU 93 4.140 -5.389 -1.589 292 2HB LEU 93 2HB LEU 93 2.402 -5.756 -1.546 293 HG LEU 93 HG LEU 93 3.138 -3.869 0.602 294 1HD1 LEU 93 1HD1 LEU 93 4.817 -3.098 -0.948 295 2HD1 LEU 93 2HD1 LEU 93 3.580 -2.883 -2.225 296 3HD1 LEU 93 3HD1 LEU 93 3.497 -1.880 -0.732 297 1HD2 LEU 93 1HD2 LEU 93 0.730 -4.453 -0.249 298 2HD2 LEU 93 2HD2 LEU 93 1.135 -2.711 0.011 299 3HD2 LEU 93 3HD2 LEU 93 1.116 -3.393 -1.647 300 H ALA 94 H ALA 94 1.192 -7.102 -0.215 301 HA ALA 94 HA ALA 94 -0.282 -5.989 1.701 302 1HB ALA 94 1HB ALA 94 -0.857 -7.781 -0.087 303 2HB ALA 94 2HB ALA 94 -0.238 -8.998 1.133 304 3HB ALA 94 3HB ALA 94 -1.690 -8.023 1.534 305 H ASP 95 H ASP 95 2.129 -8.561 2.029 306 HA ASP 95 HA ASP 95 1.480 -9.350 4.590 307 1HB ASP 95 1HB ASP 95 3.513 -10.304 4.764 308 2HB ASP 95 2HB ASP 95 3.207 -10.413 2.988 309 H MET 96 H MET 96 3.668 -6.916 3.312 310 HA MET 96 HA MET 96 4.419 -6.108 5.953 311 1HB MET 96 1HB MET 96 6.136 -5.241 4.830 312 2HB MET 96 2HB MET 96 5.235 -5.288 3.293 313 1HG MET 96 1HG MET 96 4.773 -2.987 5.199 314 2HG MET 96 2HG MET 96 6.175 -3.072 4.124 315 1HE MET 96 1HE MET 96 6.267 -3.418 1.751 316 2HE MET 96 2HE MET 96 5.452 -2.068 0.888 317 3HE MET 96 3HE MET 96 6.354 -1.740 2.403 318 H ALA 97 H ALA 97 1.703 -5.260 3.905 319 HA ALA 97 HA ALA 97 1.211 -2.750 4.854 320 1HB ALA 97 1HB ALA 97 0.074 -3.809 2.853 321 2HB ALA 97 2HB ALA 97 -0.902 -4.804 4.000 322 3HB ALA 97 3HB ALA 97 -1.075 -3.010 3.985 323 H VAL 98 H VAL 98 0.608 -5.880 6.413 324 HA VAL 98 HA VAL 98 -1.013 -4.522 8.430 325 HB VAL 98 HB VAL 98 -0.586 -7.470 8.451 326 1HG1 VAL 98 1HG1 VAL 98 -1.984 -6.279 10.155 327 2HG1 VAL 98 2HG1 VAL 98 -3.033 -5.616 8.844 328 3HG1 VAL 98 3HG1 VAL 98 -3.004 -7.391 9.165 329 1HG2 VAL 98 1HG2 VAL 98 -2.228 -6.148 6.223 330 2HG2 VAL 98 2HG2 VAL 98 -0.846 -7.327 6.097 331 3HG2 VAL 98 3HG2 VAL 98 -2.411 -7.859 6.766 332 H ARG 99 H ARG 99 1.771 -6.661 7.723 333 HA ARG 99 HA ARG 99 2.076 -7.187 10.519 334 1HB ARG 99 1HB ARG 99 3.420 -8.382 8.034 335 2HB ARG 99 2HB ARG 99 3.674 -8.984 9.703 336 1HG ARG 99 1HG ARG 99 1.689 -10.131 9.751 337 2HG ARG 99 2HG ARG 99 0.796 -8.791 9.001 338 1HD ARG 99 1HD ARG 99 0.503 -10.198 7.240 339 2HD ARG 99 2HD ARG 99 2.166 -9.785 6.747 340 HE ARG 99 HE ARG 99 1.245 -12.271 8.090 341 1HH1 ARG 99 1HH1 ARG 99 2.754 -14.036 8.049 342 2HH1 ARG 99 2HH1 ARG 99 4.407 -13.765 7.607 343 1HH2 ARG 99 1HH2 ARG 99 4.034 -10.274 7.064 344 2HH2 ARG 99 2HH2 ARG 99 5.142 -11.604 7.042 345 H ASP 100 H ASP 100 3.671 -5.229 8.057 346 HA ASP 100 HA ASP 100 5.777 -4.675 9.965 347 1HB ASP 100 1HB ASP 100 6.429 -5.941 7.793 348 2HB ASP 100 2HB ASP 100 6.109 -4.447 6.917 349 HA PRO 101 HA PRO 101 3.098 -1.221 8.634 350 1HB PRO 101 1HB PRO 101 2.732 0.048 11.134 351 2HB PRO 101 2HB PRO 101 1.711 -1.311 10.504 352 1HG PRO 101 1HG PRO 101 4.106 -1.465 12.397 353 2HG PRO 101 2HG PRO 101 2.513 -2.328 12.522 354 1HD PRO 101 1HD PRO 101 4.811 -3.512 11.430 355 2HD PRO 101 2HD PRO 101 3.176 -3.881 10.696 356 H GLN 102 H GLN 102 6.244 -1.311 10.008 357 HA GLN 102 HA GLN 102 6.698 1.502 10.043 358 1HB GLN 102 1HB GLN 102 8.120 -0.083 11.364 359 2HB GLN 102 2HB GLN 102 8.617 -0.899 9.841 360 1HG GLN 102 1HG GLN 102 9.748 1.236 9.080 361 2HG GLN 102 2HG GLN 102 9.246 2.026 10.626 362 1HE2 GLN 102 2HE2 GLN 102 11.914 1.934 10.042 363 2HE2 GLN 102 1HE2 GLN 102 12.748 0.783 11.033 364 H ALA 103 H ALA 103 7.374 -1.296 7.861 365 HA ALA 103 HA ALA 103 8.536 0.344 5.878 366 1HB ALA 103 1HB ALA 103 7.462 -2.536 5.779 367 2HB ALA 103 3HB ALA 103 9.174 -2.051 6.050 368 3HB ALA 103 2HB ALA 103 8.398 -1.744 4.450 369 H PHE 104 H PHE 104 5.299 -1.229 6.365 370 HA PHE 104 HA PHE 104 4.077 -0.299 4.138 371 1HB PHE 104 1HB PHE 104 2.885 -1.588 5.979 372 2HB PHE 104 2HB PHE 104 2.888 -0.069 6.960 373 HD1 PHE 104 HD1 PHE 104 2.053 -0.735 3.310 374 HD2 PHE 104 HD2 PHE 104 0.813 0.690 7.142 375 HE1 PHE 104 HE1 PHE 104 -0.132 -0.150 2.389 376 HE2 PHE 104 HE2 PHE 104 -1.387 1.242 6.212 377 HZ PHE 104 HZ PHE 104 -1.866 0.823 3.845 378 H GLU 105 H GLU 105 4.717 1.693 7.111 379 HA GLU 105 HA GLU 105 3.211 3.823 6.187 380 1HB GLU 105 1HB GLU 105 4.070 3.401 8.576 381 2HB GLU 105 2HB GLU 105 5.646 4.069 8.023 382 1HG GLU 105 1HG GLU 105 4.448 6.244 7.449 383 2HG GLU 105 2HG GLU 105 2.900 5.500 8.023 384 H GLN 106 H GLN 106 6.575 2.859 5.491 385 HA GLN 106 HA GLN 106 7.358 5.402 4.534 386 1HB GLN 106 1HB GLN 106 8.396 2.554 3.987 387 2HB GLN 106 2HB GLN 106 9.133 4.012 3.273 388 1HG GLN 106 1HG GLN 106 8.921 3.348 6.296 389 2HG GLN 106 2HG GLN 106 10.408 3.249 5.281 390 1HE2 GLN 106 2HE2 GLN 106 10.689 5.448 3.882 391 2HE2 GLN 106 1HE2 GLN 106 10.628 6.898 4.827 392 H VAL 107 H VAL 107 5.948 2.483 3.064 393 HA VAL 107 HA VAL 107 6.361 3.368 0.401 394 HB VAL 107 HB VAL 107 4.607 1.226 1.671 395 1HG1 VAL 107 1HG1 VAL 107 4.742 2.063 -1.303 396 2HG1 VAL 107 2HG1 VAL 107 4.155 0.461 -0.730 397 3HG1 VAL 107 3HG1 VAL 107 3.268 1.949 -0.264 398 1HG2 VAL 107 1HG2 VAL 107 7.117 1.330 -0.138 399 2HG2 VAL 107 2HG2 VAL 107 7.042 0.808 1.586 400 3HG2 VAL 107 3HG2 VAL 107 6.259 -0.186 0.299 401 H VAL 108 H VAL 108 3.755 3.608 2.780 402 HA VAL 108 HA VAL 108 1.818 4.740 1.126 403 HB VAL 108 HB VAL 108 2.428 4.677 4.095 404 1HG1 VAL 108 1HG1 VAL 108 0.125 6.239 2.756 405 2HG1 VAL 108 2HG1 VAL 108 0.188 5.761 4.494 406 3HG1 VAL 108 3HG1 VAL 108 1.410 6.895 3.858 407 1HG2 VAL 108 1HG2 VAL 108 1.555 2.670 2.821 408 2HG2 VAL 108 2HG2 VAL 108 0.400 3.250 4.076 409 3HG2 VAL 108 3HG2 VAL 108 0.109 3.631 2.335 410 H ASN 109 H ASN 109 4.510 6.093 3.019 411 HA ASN 109 HA ASN 109 3.675 8.759 2.729 412 1HB ASN 109 1HB ASN 109 5.283 7.920 4.528 413 2HB ASN 109 2HB ASN 109 6.528 7.698 3.242 414 1HD2 ASN 109 2HD2 ASN 109 7.856 9.390 2.838 415 2HD2 ASN 109 1HD2 ASN 109 7.575 11.040 3.284 416 H LYS 110 H LYS 110 5.651 6.553 0.730 417 HA LYS 110 HA LYS 110 6.747 8.650 -0.809 418 1HB LYS 110 1HB LYS 110 7.642 6.236 -0.635 419 2HB LYS 110 2HB LYS 110 6.312 5.765 -1.749 420 1HG LYS 110 1HG LYS 110 7.217 7.400 -3.456 421 2HG LYS 110 2HG LYS 110 8.510 7.865 -2.295 422 1HD LYS 110 1HD LYS 110 9.287 5.438 -2.287 423 2HD LYS 110 2HD LYS 110 8.106 5.112 -3.605 424 1HE LYS 110 1HE LYS 110 10.470 7.105 -3.734 425 2HE LYS 110 2HE LYS 110 10.374 5.489 -4.551 426 1HZ LYS 110 1HZ LYS 110 8.455 6.306 -5.769 427 2HZ LYS 110 2HZ LYS 110 8.605 7.830 -5.032 428 3HZ LYS 110 3HZ LYS 110 9.839 7.250 -6.046 429 H VAL 111 H VAL 111 3.905 6.503 -1.061 430 HA VAL 111 HA VAL 111 3.092 7.357 -3.634 431 HB VAL 111 HB VAL 111 1.813 5.834 -1.311 432 1HG1 VAL 111 1HG1 VAL 111 0.573 6.483 -4.065 433 2HG1 VAL 111 2HG1 VAL 111 0.003 5.161 -2.983 434 3HG1 VAL 111 3HG1 VAL 111 -0.106 6.866 -2.436 435 1HG2 VAL 111 1HG2 VAL 111 3.686 4.705 -2.554 436 2HG2 VAL 111 2HG2 VAL 111 2.111 3.905 -2.907 437 3HG2 VAL 111 3HG2 VAL 111 2.848 5.030 -4.109 438 H LYS 112 H LYS 112 2.504 8.663 -0.363 439 HA LYS 112 HA LYS 112 0.188 9.893 -1.396 440 1HB LYS 112 1HB LYS 112 -0.113 10.985 0.733 441 2HB LYS 112 2HB LYS 112 0.523 9.325 1.048 442 1HG LYS 112 1HG LYS 112 1.732 10.468 2.573 443 2HG LYS 112 2HG LYS 112 2.861 10.543 1.184 444 1HD LYS 112 1HD LYS 112 1.958 12.899 0.698 445 2HD LYS 112 2HD LYS 112 0.894 12.728 2.136 446 1HE LYS 112 1HE LYS 112 2.908 14.051 2.716 447 2HE LYS 112 2HE LYS 112 2.986 12.455 3.575 448 1HZ LYS 112 1HZ LYS 112 4.431 11.663 1.819 449 2HZ LYS 112 2HZ LYS 112 4.364 13.168 1.036 450 3HZ LYS 112 3HZ LYS 112 5.071 13.042 2.575 451 H GLU 113 H GLU 113 3.559 10.920 -0.966 452 HA GLU 113 HA GLU 113 2.936 13.573 -1.821 453 1HB GLU 113 1HB GLU 113 5.129 12.888 -0.756 454 2HB GLU 113 2HB GLU 113 5.545 12.053 -2.289 455 1HG GLU 113 1HG GLU 113 5.456 14.169 -3.550 456 2HG GLU 113 2HG GLU 113 4.909 15.061 -2.074 457 H ALA 114 H ALA 114 4.228 10.666 -3.379 458 HA ALA 114 HA ALA 114 4.795 11.747 -5.818 459 1HB ALA 114 1HB ALA 114 3.803 8.880 -5.274 460 2HB ALA 114 3HB ALA 114 5.524 9.416 -5.229 461 3HB ALA 114 2HB ALA 114 4.615 9.424 -6.788 462 H LEU 115 H LEU 115 1.704 10.463 -4.581 463 HA LEU 115 HA LEU 115 0.525 11.052 -7.219 464 1HB LEU 115 1HB LEU 115 0.028 8.733 -6.430 465 2HB LEU 115 2HB LEU 115 -0.610 9.405 -4.899 466 HG LEU 115 HG LEU 115 -2.188 10.841 -6.373 467 1HD1 LEU 115 1HD1 LEU 115 -1.381 8.733 -8.486 468 2HD1 LEU 115 2HD1 LEU 115 -2.795 9.848 -8.617 469 3HD1 LEU 115 3HD1 LEU 115 -1.122 10.514 -8.586 470 1HD2 LEU 115 1HD2 LEU 115 -2.959 8.923 -4.972 471 2HD2 LEU 115 2HD2 LEU 115 -3.902 9.044 -6.506 472 3HD2 LEU 115 3HD2 LEU 115 -2.630 7.781 -6.329 473 H GLN 116 H GLN 116 -0.451 10.994 -3.822 474 HA GLN 116 HA GLN 116 -2.778 12.148 -4.690 475 1HB GLN 116 1HB GLN 116 -2.524 10.564 -2.757 476 2HB GLN 116 2HB GLN 116 -1.760 11.874 -1.801 477 1HG GLN 116 1HG GLN 116 -3.898 13.175 -1.836 478 2HG GLN 116 2HG GLN 116 -4.653 11.913 -2.897 479 1HE2 GLN 116 2HE2 GLN 116 -5.801 10.387 -1.870 480 2HE2 GLN 116 1HE2 GLN 116 -5.585 9.853 -0.236 481 H VAL 117 H VAL 117 0.020 13.535 -3.118 482 HA VAL 117 HA VAL 117 -1.417 15.989 -2.591 483 HB VAL 117 HB VAL 117 1.278 14.927 -1.621 484 1HG1 VAL 117 1HG1 VAL 117 -0.445 17.362 -0.804 485 2HG1 VAL 117 2HG1 VAL 117 0.965 16.742 0.138 486 3HG1 VAL 117 3HG1 VAL 117 1.216 17.401 -1.517 487 1HG2 VAL 117 1HG2 VAL 117 -1.574 14.963 -0.414 488 2HG2 VAL 117 2HG2 VAL 117 -0.662 13.500 -0.900 489 3HG2 VAL 117 3HG2 VAL 117 -0.083 14.484 0.489 490 H GLN 118 H GLN 118 1.025 14.454 -4.703 491 HA GLN 118 HA GLN 118 2.065 16.975 -5.416 492 1HB GLN 118 1HB GLN 118 3.228 16.204 -7.186 493 2HB GLN 118 2HB GLN 118 3.076 14.724 -6.220 494 1HG GLN 118 1HG GLN 118 2.728 14.012 -8.423 495 2HG GLN 118 2HG GLN 118 1.043 14.127 -7.807 496 1HE2 GLN 118 2HE2 GLN 118 -0.141 14.699 -9.576 497 2HE2 GLN 118 1HE2 GLN 118 0.172 16.049 -10.615 No H/Q in entry = 497 Start of MODEL 8 1 H1 TRP 59 1H TRP 59 -4.445 -11.922 0.815 2 H2 TRP 59 2H TRP 59 -3.487 -12.612 -0.407 3 H3 TRP 59 3H TRP 59 -2.962 -12.649 1.209 4 HA TRP 59 HA TRP 59 -2.757 -10.297 1.251 5 1HB TRP 59 1HB TRP 59 -1.270 -11.326 -1.192 6 2HB TRP 59 2HB TRP 59 -0.693 -10.241 0.086 7 HD1 TRP 59 HD1 TRP 59 -0.951 -13.930 -0.834 8 HE1 TRP 59 HE1 TRP 59 0.199 -15.314 0.995 9 HE3 TRP 59 HE3 TRP 59 -0.354 -10.268 2.628 10 HZ2 TRP 59 HZ2 TRP 59 1.239 -14.882 3.584 11 HZ3 TRP 59 HZ3 TRP 59 0.676 -10.829 4.773 12 HH2 TRP 59 HH2 TRP 59 1.485 -13.089 5.239 13 H ILE 60 H ILE 60 -5.300 -10.087 0.418 14 HA ILE 60 HA ILE 60 -5.129 -8.441 -1.963 15 HB ILE 60 HB ILE 60 -7.515 -9.274 -2.495 16 1HG1 ILE 60 1HG1 ILE 60 -7.867 -11.041 -0.848 17 2HG1 ILE 60 2HG1 ILE 60 -7.770 -11.708 -2.522 18 1HG2 ILE 60 1HG2 ILE 60 -5.602 -9.004 -3.936 19 2HG2 ILE 60 2HG2 ILE 60 -4.899 -10.584 -3.410 20 3HG2 ILE 60 3HG2 ILE 60 -6.459 -10.543 -4.331 21 1HD1 ILE 60 1HD1 ILE 60 -5.221 -12.156 -1.817 22 2HD1 ILE 60 2HD1 ILE 60 -5.909 -12.019 -0.154 23 3HD1 ILE 60 3HD1 ILE 60 -6.542 -13.290 -1.275 24 H ALA 61 H ALA 61 -7.469 -9.778 0.427 25 HA ALA 61 HA ALA 61 -8.800 -7.227 0.601 26 1HB ALA 61 1HB ALA 61 -9.249 -9.892 2.092 27 2HB ALA 61 3HB ALA 61 -10.208 -9.326 0.670 28 3HB ALA 61 2HB ALA 61 -10.306 -8.438 2.235 29 H ARG 62 H ARG 62 -6.052 -8.674 1.652 30 HA ARG 62 HA ARG 62 -6.021 -7.871 4.368 31 1HB ARG 62 1HB ARG 62 -3.670 -8.449 2.464 32 2HB ARG 62 2HB ARG 62 -3.682 -8.586 4.247 33 1HG ARG 62 1HG ARG 62 -5.605 -10.418 3.806 34 2HG ARG 62 2HG ARG 62 -4.925 -10.406 2.168 35 1HD ARG 62 1HD ARG 62 -3.735 -12.153 3.347 36 2HD ARG 62 2HD ARG 62 -2.566 -10.763 3.252 37 HE ARG 62 HE ARG 62 -3.934 -10.313 5.645 38 1HH1 ARG 62 1HH1 ARG 62 -3.581 -11.350 7.706 39 2HH1 ARG 62 2HH1 ARG 62 -2.761 -12.873 7.786 40 1HH2 ARG 62 1HH2 ARG 62 -2.264 -13.158 4.275 41 2HH2 ARG 62 2HH2 ARG 62 -2.006 -13.916 5.810 42 H ILE 63 H ILE 63 -4.914 -6.639 1.096 43 HA ILE 63 HA ILE 63 -3.737 -4.367 2.018 44 HB ILE 63 HB ILE 63 -5.108 -4.776 -0.680 45 1HG1 ILE 63 1HG1 ILE 63 -2.594 -6.086 0.445 46 2HG1 ILE 63 2HG1 ILE 63 -4.038 -6.930 -0.213 47 1HG2 ILE 63 1HG2 ILE 63 -3.963 -2.613 -0.001 48 2HG2 ILE 63 2HG2 ILE 63 -2.475 -3.585 0.340 49 3HG2 ILE 63 3HG2 ILE 63 -3.102 -3.429 -1.358 50 1HD1 ILE 63 1HD1 ILE 63 -3.537 -6.000 -2.507 51 2HD1 ILE 63 2HD1 ILE 63 -2.015 -5.270 -1.861 52 3HD1 ILE 63 3HD1 ILE 63 -2.219 -7.049 -1.869 53 H ASN 64 H ASN 64 -6.986 -5.265 0.730 54 HA ASN 64 HA ASN 64 -8.059 -2.740 0.629 55 1HB ASN 64 1HB ASN 64 -9.105 -5.059 -0.017 56 2HB ASN 64 2HB ASN 64 -9.620 -5.171 1.694 57 1HD2 ASN 64 2HD2 ASN 64 -9.828 -3.158 -1.296 58 2HD2 ASN 64 1HD2 ASN 64 -11.333 -2.389 -0.917 59 H ALA 65 H ALA 65 -7.742 -5.021 3.275 60 HA ALA 65 HA ALA 65 -9.238 -3.466 5.126 61 1HB ALA 65 2HB ALA 65 -8.372 -5.065 6.879 62 2HB ALA 65 3HB ALA 65 -9.051 -5.939 5.456 63 3HB ALA 65 1HB ALA 65 -7.263 -5.772 5.643 64 H ALA 66 H ALA 66 -5.837 -3.424 4.102 65 HA ALA 66 HA ALA 66 -5.013 -2.250 6.591 66 1HB ALA 66 1HB ALA 66 -3.586 -2.431 3.869 67 2HB ALA 66 2HB ALA 66 -2.827 -1.908 5.421 68 3HB ALA 66 3HB ALA 66 -3.402 -3.605 5.224 69 H VAL 67 H VAL 67 -6.051 -1.136 3.356 70 HA VAL 67 HA VAL 67 -4.777 1.401 3.819 71 HB VAL 67 HB VAL 67 -5.376 1.935 1.528 72 1HG1 VAL 67 1HG1 VAL 67 -4.098 -0.834 1.877 73 2HG1 VAL 67 2HG1 VAL 67 -4.053 0.188 0.395 74 3HG1 VAL 67 3HG1 VAL 67 -3.285 0.774 1.919 75 1HG2 VAL 67 1HG2 VAL 67 -6.951 -0.717 1.651 76 2HG2 VAL 67 2HG2 VAL 67 -7.580 0.921 1.264 77 3HG2 VAL 67 3HG2 VAL 67 -6.465 0.093 0.127 78 H ARG 68 H ARG 68 -7.759 0.145 4.707 79 HA ARG 68 HA ARG 68 -9.338 2.355 3.795 80 1HB ARG 68 1HB ARG 68 -11.209 1.154 4.997 81 2HB ARG 68 2HB ARG 68 -10.368 0.170 3.764 82 1HG ARG 68 1HG ARG 68 -9.018 -0.944 5.492 83 2HG ARG 68 2HG ARG 68 -9.812 0.006 6.794 84 1HD ARG 68 1HD ARG 68 -11.300 -1.893 4.853 85 2HD ARG 68 2HD ARG 68 -10.732 -2.334 6.526 86 HE ARG 68 HE ARG 68 -12.281 0.100 6.660 87 1HH1 ARG 68 1HH1 ARG 68 -14.448 -0.077 7.553 88 2HH1 ARG 68 2HH1 ARG 68 -15.255 -1.610 7.583 89 1HH2 ARG 68 1HH2 ARG 68 -12.582 -3.408 6.069 90 2HH2 ARG 68 2HH2 ARG 68 -14.179 -3.527 6.728 91 H ALA 69 H ALA 69 -7.100 2.993 5.596 92 HA ALA 69 HA ALA 69 -8.565 4.036 7.910 93 1HB ALA 69 1HB ALA 69 -5.536 3.746 7.365 94 2HB ALA 69 2HB ALA 69 -6.265 4.457 8.858 95 3HB ALA 69 3HB ALA 69 -6.487 2.703 8.483 96 H TYR 70 H TYR 70 -6.572 4.615 5.020 97 HA TYR 70 HA TYR 70 -6.148 7.344 5.617 98 1HB TYR 70 1HB TYR 70 -5.796 5.774 2.978 99 2HB TYR 70 2HB TYR 70 -5.168 7.449 3.293 100 HD1 TYR 70 HD1 TYR 70 -3.712 7.704 5.418 101 HD2 TYR 70 HD2 TYR 70 -4.503 3.970 3.516 102 HE1 TYR 70 HE1 TYR 70 -1.766 6.715 6.546 103 HE2 TYR 70 HE2 TYR 70 -2.551 2.990 4.625 104 HH TYR 70 HH TYR 70 -0.823 3.325 6.003 105 H GLY 71 H GLY 71 -8.214 5.544 3.255 106 1HA GLY 71 2HA GLY 71 -9.088 8.130 2.253 107 2HA GLY 71 1HA GLY 71 -10.311 6.885 2.779 108 H LEU 72 H LEU 72 -7.283 5.637 1.757 109 HA LEU 72 HA LEU 72 -7.863 5.227 -0.996 110 1HB LEU 72 1HB LEU 72 -6.279 3.607 1.056 111 2HB LEU 72 2HB LEU 72 -6.213 3.309 -0.714 112 HG LEU 72 HG LEU 72 -5.234 5.859 0.719 113 1HD1 LEU 72 1HD1 LEU 72 -3.739 3.389 -0.353 114 2HD1 LEU 72 2HD1 LEU 72 -2.942 4.883 0.258 115 3HD1 LEU 72 3HD1 LEU 72 -3.924 3.864 1.370 116 1HD2 LEU 72 1HD2 LEU 72 -5.005 4.879 -2.188 117 2HD2 LEU 72 2HD2 LEU 72 -5.896 6.328 -1.613 118 3HD2 LEU 72 3HD2 LEU 72 -4.095 6.288 -1.517 119 H ASN 73 H ASN 73 -8.570 3.379 -1.958 120 HA ASN 73 HA ASN 73 -10.072 1.641 -0.232 121 1HB ASN 73 1HB ASN 73 -11.973 1.567 -1.819 122 2HB ASN 73 2HB ASN 73 -11.682 3.272 -1.325 123 1HD2 ASN 73 2HD2 ASN 73 -10.005 4.477 -2.875 124 2HD2 ASN 73 1HD2 ASN 73 -10.280 4.255 -4.569 125 H TYR 74 H TYR 74 -7.415 1.599 -1.536 126 HA TYR 74 HA TYR 74 -6.112 0.058 -2.242 127 1HB TYR 74 1HB TYR 74 -6.823 -1.868 -1.355 128 2HB TYR 74 2HB TYR 74 -8.489 -1.705 -1.977 129 HD1 TYR 74 HD1 TYR 74 -8.982 -2.212 -4.353 130 HD2 TYR 74 HD2 TYR 74 -5.347 -3.362 -2.434 131 HE1 TYR 74 HE1 TYR 74 -8.651 -3.983 -6.020 132 HE2 TYR 74 HE2 TYR 74 -5.017 -5.111 -4.101 133 HH TYR 74 HH TYR 74 -5.797 -6.124 -5.916 134 H SER 75 H SER 75 -8.645 1.361 -4.157 135 HA SER 75 HA SER 75 -7.544 0.385 -6.636 136 1HB SER 75 1HB SER 75 -9.698 2.517 -6.103 137 2HB SER 75 2HB SER 75 -9.252 1.857 -7.723 138 HG SER 75 HG SER 75 -11.061 0.845 -6.773 139 H THR 76 H THR 76 -7.600 3.356 -4.625 140 HA THR 76 HA THR 76 -6.187 4.814 -6.649 141 HB THR 76 HB THR 76 -6.036 6.497 -4.639 142 HG1 THR 76 HG1 THR 76 -7.511 6.039 -3.071 143 1HG2 THR 76 1HG2 THR 76 -7.578 6.697 -6.636 144 2HG2 THR 76 2HG2 THR 76 -8.755 5.587 -5.834 145 3HG2 THR 76 3HG2 THR 76 -8.403 7.201 -5.112 146 H PHE 77 H PHE 77 -5.589 2.748 -3.929 147 HA PHE 77 HA PHE 77 -2.970 3.572 -3.344 148 1HB PHE 77 1HB PHE 77 -4.496 1.968 -1.964 149 2HB PHE 77 2HB PHE 77 -4.212 0.733 -3.229 150 HD1 PHE 77 HD1 PHE 77 -1.755 3.120 -1.574 151 HD2 PHE 77 HD2 PHE 77 -3.042 -0.888 -2.311 152 HE1 PHE 77 HE1 PHE 77 0.178 2.273 -0.344 153 HE2 PHE 77 HE2 PHE 77 -1.105 -1.728 -1.059 154 HZ PHE 77 HZ PHE 77 0.509 -0.146 -0.068 155 H ILE 78 H ILE 78 -4.574 1.248 -5.437 156 HA ILE 78 HA ILE 78 -2.500 -0.147 -6.439 157 HB ILE 78 HB ILE 78 -5.278 0.178 -6.966 158 1HG1 ILE 78 1HG1 ILE 78 -3.272 -1.953 -7.852 159 2HG1 ILE 78 2HG1 ILE 78 -3.875 -1.773 -6.165 160 1HG2 ILE 78 1HG2 ILE 78 -3.631 -0.111 -9.569 161 2HG2 ILE 78 2HG2 ILE 78 -5.395 -0.391 -9.378 162 3HG2 ILE 78 3HG2 ILE 78 -4.756 1.253 -9.154 163 1HD1 ILE 78 1HD1 ILE 78 -6.223 -2.142 -6.937 164 2HD1 ILE 78 2HD1 ILE 78 -5.628 -2.441 -8.617 165 3HD1 ILE 78 3HD1 ILE 78 -5.148 -3.547 -7.277 166 H ASN 79 H ASN 79 -3.791 3.037 -7.470 167 HA ASN 79 HA ASN 79 -2.247 2.997 -9.839 168 1HB ASN 79 1HB ASN 79 -3.054 5.035 -10.447 169 2HB ASN 79 2HB ASN 79 -4.459 4.257 -9.588 170 1HD2 ASN 79 2HD2 ASN 79 -2.100 6.881 -9.792 171 2HD2 ASN 79 1HD2 ASN 79 -2.823 7.935 -8.623 172 H GLY 80 H GLY 80 -2.159 4.810 -6.919 173 1HA GLY 80 2HA GLY 80 -0.539 6.194 -5.980 174 2HA GLY 80 1HA GLY 80 0.036 6.348 -7.660 175 H LEU 81 H LEU 81 0.056 3.138 -6.332 176 HA LEU 81 HA LEU 81 2.727 3.124 -5.396 177 1HB LEU 81 1HB LEU 81 1.096 1.041 -6.833 178 2HB LEU 81 2HB LEU 81 2.590 0.596 -6.145 179 HG LEU 81 HG LEU 81 0.505 1.826 -4.305 180 1HD1 LEU 81 1HD1 LEU 81 -0.416 -0.255 -5.354 181 2HD1 LEU 81 2HD1 LEU 81 1.086 -1.139 -4.873 182 3HD1 LEU 81 3HD1 LEU 81 -0.033 -0.508 -3.608 183 1HD2 LEU 81 1HD2 LEU 81 2.877 1.891 -3.497 184 2HD2 LEU 81 2HD2 LEU 81 1.868 0.752 -2.529 185 3HD2 LEU 81 3HD2 LEU 81 3.010 0.115 -3.770 186 H LYS 82 H LYS 82 1.261 2.974 -8.658 187 HA LYS 82 HA LYS 82 3.652 2.102 -9.905 188 1HB LYS 82 1HB LYS 82 1.282 3.625 -11.127 189 2HB LYS 82 2HB LYS 82 2.514 2.686 -12.030 190 1HG LYS 82 1HG LYS 82 1.672 0.578 -11.108 191 2HG LYS 82 2HG LYS 82 0.601 1.437 -9.952 192 1HD LYS 82 1HD LYS 82 -0.727 0.547 -11.785 193 2HD LYS 82 2HD LYS 82 -0.774 2.345 -11.775 194 1HE LYS 82 1HE LYS 82 0.834 2.414 -13.698 195 2HE LYS 82 2HE LYS 82 0.953 0.607 -13.669 196 1HZ LYS 82 1HZ LYS 82 -1.519 2.195 -14.120 197 2HZ LYS 82 2HZ LYS 82 -0.599 1.401 -15.307 198 3HZ LYS 82 3HZ LYS 82 -1.401 0.502 -14.110 199 H LYS 83 H LYS 83 2.152 5.159 -8.962 200 HA LYS 83 HA LYS 83 3.691 6.835 -10.599 201 1HB LYS 83 1HB LYS 83 2.325 7.340 -7.877 202 2HB LYS 83 2HB LYS 83 3.075 8.627 -8.883 203 1HG LYS 83 1HG LYS 83 0.737 6.827 -9.779 204 2HG LYS 83 2HG LYS 83 0.562 8.428 -8.985 205 1HD LYS 83 1HD LYS 83 1.797 9.509 -10.874 206 2HD LYS 83 2HD LYS 83 1.970 7.908 -11.681 207 1HE LYS 83 1HE LYS 83 0.074 9.188 -12.673 208 2HE LYS 83 2HE LYS 83 -0.546 7.713 -11.819 209 1HZ LYS 83 1HZ LYS 83 -0.470 10.468 -10.699 210 2HZ LYS 83 2HZ LYS 83 -1.833 9.683 -11.343 211 3HZ LYS 83 3HZ LYS 83 -1.089 9.083 -9.939 212 H ALA 84 H ALA 84 4.156 5.279 -7.420 213 HA ALA 84 HA ALA 84 6.513 6.744 -6.830 214 1HB ALA 84 3HB ALA 84 5.229 5.728 -4.971 215 2HB ALA 84 1HB ALA 84 5.445 4.094 -5.697 216 3HB ALA 84 2HB ALA 84 6.873 4.989 -5.062 217 H GLY 85 H GLY 85 5.800 3.396 -7.938 218 1HA GLY 85 2HA GLY 85 8.513 3.275 -9.035 219 2HA GLY 85 1HA GLY 85 7.022 2.554 -9.773 220 H ILE 86 H ILE 86 5.884 1.769 -7.213 221 HA ILE 86 HA ILE 86 7.718 -0.194 -6.192 222 HB ILE 86 HB ILE 86 5.064 1.029 -5.278 223 1HG1 ILE 86 1HG1 ILE 86 7.913 1.115 -4.096 224 2HG1 ILE 86 2HG1 ILE 86 7.148 2.437 -5.039 225 1HG2 ILE 86 1HG2 ILE 86 6.734 -1.253 -4.021 226 2HG2 ILE 86 2HG2 ILE 86 5.388 -0.387 -3.188 227 3HG2 ILE 86 3HG2 ILE 86 5.037 -1.337 -4.651 228 1HD1 ILE 86 1HD1 ILE 86 5.325 2.608 -3.298 229 2HD1 ILE 86 2HD1 ILE 86 6.197 1.378 -2.306 230 3HD1 ILE 86 3HD1 ILE 86 6.973 2.959 -2.652 231 H GLU 87 H GLU 87 4.192 0.100 -6.930 232 HA GLU 87 HA GLU 87 2.726 -1.330 -7.639 233 1HB GLU 87 1HB GLU 87 3.678 -0.389 -9.797 234 2HB GLU 87 2HB GLU 87 4.685 -1.868 -9.918 235 1HG GLU 87 1HG GLU 87 2.498 -3.245 -9.924 236 2HG GLU 87 2HG GLU 87 1.587 -1.690 -9.936 237 H LEU 88 H LEU 88 3.472 -2.563 -5.637 238 HA LEU 88 HA LEU 88 4.726 -5.096 -6.413 239 1HB LEU 88 1HB LEU 88 6.130 -3.282 -5.230 240 2HB LEU 88 2HB LEU 88 5.023 -3.450 -3.849 241 HG LEU 88 HG LEU 88 5.693 -5.924 -3.679 242 1HD1 LEU 88 1HD1 LEU 88 7.868 -5.064 -5.691 243 2HD1 LEU 88 2HD1 LEU 88 7.842 -6.615 -4.767 244 3HD1 LEU 88 3HD1 LEU 88 6.564 -6.276 -5.990 245 1HD2 LEU 88 1HD2 LEU 88 6.613 -4.197 -2.167 246 2HD2 LEU 88 2HD2 LEU 88 7.865 -5.435 -2.559 247 3HD2 LEU 88 3HD2 LEU 88 7.917 -3.817 -3.357 248 H ASP 89 H ASP 89 2.024 -3.454 -5.272 249 HA ASP 89 HA ASP 89 0.998 -5.296 -3.352 250 1HB ASP 89 1HB ASP 89 -1.135 -4.131 -3.645 251 2HB ASP 89 2HB ASP 89 0.128 -2.898 -3.692 252 H ARG 90 H ARG 90 -1.279 -5.951 -3.899 253 HA ARG 90 HA ARG 90 -2.829 -6.737 -5.172 254 1HB ARG 90 1HB ARG 90 -1.586 -6.586 -7.417 255 2HB ARG 90 2HB ARG 90 -0.812 -8.158 -7.000 256 1HG ARG 90 1HG ARG 90 -3.089 -9.237 -6.969 257 2HG ARG 90 2HG ARG 90 -3.843 -7.634 -7.283 258 1HD ARG 90 1HD ARG 90 -3.727 -8.916 -9.408 259 2HD ARG 90 2HD ARG 90 -2.573 -7.527 -9.493 260 HE ARG 90 HE ARG 90 -0.725 -9.032 -9.232 261 1HH1 ARG 90 1HH1 ARG 90 0.200 -11.151 -9.518 262 2HH1 ARG 90 2HH1 ARG 90 -0.821 -12.548 -9.590 263 1HH2 ARG 90 1HH2 ARG 90 -3.862 -10.757 -9.185 264 2HH2 ARG 90 2HH2 ARG 90 -3.150 -12.322 -9.399 265 H LYS 91 H LYS 91 0.223 -7.978 -3.934 266 HA LYS 91 HA LYS 91 -0.748 -9.532 -2.178 267 1HB LYS 91 1HB LYS 91 0.023 -11.861 -3.003 268 2HB LYS 91 2HB LYS 91 -1.551 -11.270 -3.566 269 1HG LYS 91 1HG LYS 91 -0.290 -10.467 -5.740 270 2HG LYS 91 2HG LYS 91 1.065 -11.485 -5.148 271 1HD LYS 91 1HD LYS 91 -0.304 -12.744 -6.729 272 2HD LYS 91 2HD LYS 91 -0.543 -13.461 -5.094 273 1HE LYS 91 1HE LYS 91 -2.785 -12.299 -4.910 274 2HE LYS 91 2HE LYS 91 -2.478 -11.470 -6.479 275 1HZ LYS 91 1HZ LYS 91 -2.627 -14.410 -6.078 276 2HZ LYS 91 2HZ LYS 91 -3.859 -13.420 -6.700 277 3HZ LYS 91 3HZ LYS 91 -2.402 -13.603 -7.554 278 H ILE 92 H ILE 92 0.719 -9.618 -0.784 279 HA ILE 92 HA ILE 92 2.545 -10.243 0.176 280 HB ILE 92 HB ILE 92 3.539 -10.768 -2.594 281 1HG1 ILE 92 1HG1 ILE 92 1.458 -11.991 -1.147 282 2HG1 ILE 92 2HG1 ILE 92 2.198 -12.451 -2.690 283 1HG2 ILE 92 1HG2 ILE 92 4.758 -11.713 0.090 284 2HG2 ILE 92 2HG2 ILE 92 5.185 -12.394 -1.532 285 3HG2 ILE 92 3HG2 ILE 92 5.557 -10.704 -1.176 286 1HD1 ILE 92 1HD1 ILE 92 3.086 -13.450 0.113 287 2HD1 ILE 92 2HD1 ILE 92 2.069 -14.358 -1.060 288 3HD1 ILE 92 3HD1 ILE 92 3.780 -14.004 -1.465 289 H LEU 93 H LEU 93 2.071 -7.535 -1.292 290 HA LEU 93 HA LEU 93 4.436 -6.249 0.071 291 1HB LEU 93 1HB LEU 93 4.102 -5.115 -1.885 292 2HB LEU 93 2HB LEU 93 2.368 -5.494 -1.811 293 HG LEU 93 HG LEU 93 3.332 -3.399 0.112 294 1HD1 LEU 93 1HD1 LEU 93 4.522 -2.713 -1.895 295 2HD1 LEU 93 2HD1 LEU 93 2.991 -2.762 -2.858 296 3HD1 LEU 93 3HD1 LEU 93 3.180 -1.571 -1.518 297 1HD2 LEU 93 1HD2 LEU 93 0.767 -3.673 -1.588 298 2HD2 LEU 93 2HD2 LEU 93 0.899 -3.806 0.202 299 3HD2 LEU 93 3HD2 LEU 93 1.180 -2.234 -0.593 300 H ALA 94 H ALA 94 1.113 -6.584 -0.349 301 HA ALA 94 HA ALA 94 -0.311 -5.652 1.660 302 1HB ALA 94 1HB ALA 94 -0.808 -7.500 -0.127 303 2HB ALA 94 2HB ALA 94 -0.020 -8.640 1.041 304 3HB ALA 94 3HB ALA 94 -1.540 -7.819 1.539 305 H ASP 95 H ASP 95 2.219 -8.145 1.773 306 HA ASP 95 HA ASP 95 1.822 -9.035 4.344 307 1HB ASP 95 1HB ASP 95 3.943 -9.896 4.317 308 2HB ASP 95 2HB ASP 95 3.426 -9.981 2.584 309 H MET 96 H MET 96 3.815 -6.469 3.033 310 HA MET 96 HA MET 96 4.658 -5.703 5.664 311 1HB MET 96 1HB MET 96 6.255 -4.698 4.489 312 2HB MET 96 2HB MET 96 5.289 -4.805 3.013 313 1HG MET 96 1HG MET 96 4.651 -2.538 4.901 314 2HG MET 96 2HG MET 96 6.137 -2.515 3.940 315 1HE MET 96 1HE MET 96 6.555 -1.947 1.824 316 2HE MET 96 2HE MET 96 5.994 -3.587 1.350 317 3HE MET 96 3HE MET 96 5.472 -2.152 0.406 318 H ALA 97 H ALA 97 1.807 -4.910 3.746 319 HA ALA 97 HA ALA 97 1.204 -2.544 5.010 320 1HB ALA 97 1HB ALA 97 0.107 -3.409 2.887 321 2HB ALA 97 2HB ALA 97 -0.847 -4.541 3.921 322 3HB ALA 97 3HB ALA 97 -1.044 -2.759 4.111 323 H VAL 98 H VAL 98 0.863 -5.876 6.196 324 HA VAL 98 HA VAL 98 -0.789 -4.858 8.388 325 HB VAL 98 HB VAL 98 -0.097 -7.769 8.069 326 1HG1 VAL 98 1HG1 VAL 98 -1.265 -6.886 10.126 327 2HG1 VAL 98 2HG1 VAL 98 -2.571 -6.210 9.079 328 3HG1 VAL 98 3HG1 VAL 98 -2.329 -7.993 9.183 329 1HG2 VAL 98 1HG2 VAL 98 -2.174 -6.290 6.350 330 2HG2 VAL 98 2HG2 VAL 98 -0.812 -7.381 5.840 331 3HG2 VAL 98 3HG2 VAL 98 -2.219 -8.064 6.695 332 H ARG 99 H ARG 99 2.069 -6.874 7.537 333 HA ARG 99 HA ARG 99 2.626 -7.372 10.251 334 1HB ARG 99 1HB ARG 99 4.202 -8.100 7.704 335 2HB ARG 99 2HB ARG 99 4.638 -8.594 9.366 336 1HG ARG 99 1HG ARG 99 3.628 -10.485 8.672 337 2HG ARG 99 2HG ARG 99 2.255 -9.677 9.498 338 1HD ARG 99 1HD ARG 99 1.267 -9.117 7.197 339 2HD ARG 99 2HD ARG 99 2.731 -9.776 6.413 340 HE ARG 99 HE ARG 99 2.114 -11.964 6.997 341 1HH1 ARG 99 1HH1 ARG 99 0.544 -13.547 7.632 342 2HH1 ARG 99 2HH1 ARG 99 -0.909 -13.068 8.442 343 1HH2 ARG 99 1HH2 ARG 99 -0.129 -9.594 8.459 344 2HH2 ARG 99 2HH2 ARG 99 -1.297 -10.785 8.921 345 H ASP 100 H ASP 100 3.934 -5.073 7.845 346 HA ASP 100 HA ASP 100 6.045 -4.422 9.724 347 1HB ASP 100 1HB ASP 100 6.711 -5.609 7.508 348 2HB ASP 100 2HB ASP 100 6.290 -4.122 6.670 349 HA PRO 101 HA PRO 101 3.226 -1.024 8.560 350 1HB PRO 101 1HB PRO 101 2.948 0.164 11.126 351 2HB PRO 101 2HB PRO 101 1.892 -1.153 10.467 352 1HG PRO 101 1HG PRO 101 4.306 -1.396 12.315 353 2HG PRO 101 2HG PRO 101 2.727 -2.289 12.397 354 1HD PRO 101 1HD PRO 101 5.044 -3.374 11.247 355 2HD PRO 101 2HD PRO 101 3.417 -3.752 10.510 356 H GLN 102 H GLN 102 6.390 -1.127 9.875 357 HA GLN 102 HA GLN 102 6.826 1.682 10.010 358 1HB GLN 102 1HB GLN 102 8.811 -0.650 9.667 359 2HB GLN 102 2HB GLN 102 9.244 1.041 10.098 360 1HG GLN 102 1HG GLN 102 7.970 0.812 12.255 361 2HG GLN 102 2HG GLN 102 7.520 -0.886 11.811 362 1HE2 GLN 102 2HE2 GLN 102 8.926 -2.532 12.170 363 2HE2 GLN 102 1HE2 GLN 102 10.551 -2.353 12.744 364 H ALA 103 H ALA 103 7.376 -1.037 7.692 365 HA ALA 103 HA ALA 103 8.575 0.687 5.780 366 1HB ALA 103 1HB ALA 103 7.498 -2.184 5.598 367 2HB ALA 103 3HB ALA 103 9.220 -1.702 5.809 368 3HB ALA 103 2HB ALA 103 8.368 -1.341 4.257 369 H PHE 104 H PHE 104 5.348 -0.897 6.272 370 HA PHE 104 HA PHE 104 4.090 0.079 4.098 371 1HB PHE 104 1HB PHE 104 2.973 -1.298 5.938 372 2HB PHE 104 2HB PHE 104 2.911 0.215 6.929 373 HD1 PHE 104 HD1 PHE 104 0.784 0.844 7.120 374 HD2 PHE 104 HD2 PHE 104 2.111 -0.456 3.274 375 HE1 PHE 104 HE1 PHE 104 -1.438 1.298 6.189 376 HE2 PHE 104 HE2 PHE 104 -0.088 0.032 2.348 377 HZ PHE 104 HZ PHE 104 -1.886 0.890 3.801 378 H GLU 105 H GLU 105 4.808 2.002 7.093 379 HA GLU 105 HA GLU 105 3.208 4.133 6.321 380 1HB GLU 105 1HB GLU 105 4.276 3.581 8.621 381 2HB GLU 105 2HB GLU 105 5.746 4.410 8.022 382 1HG GLU 105 1HG GLU 105 2.901 5.648 8.188 383 2HG GLU 105 2HG GLU 105 4.130 5.756 9.506 384 H GLN 106 H GLN 106 6.619 3.299 5.607 385 HA GLN 106 HA GLN 106 7.295 5.827 4.576 386 1HB GLN 106 1HB GLN 106 8.397 2.991 4.118 387 2HB GLN 106 2HB GLN 106 9.086 4.422 3.315 388 1HG GLN 106 1HG GLN 106 8.917 3.975 6.381 389 2HG GLN 106 2HG GLN 106 10.396 3.773 5.364 390 1HE2 GLN 106 2HE2 GLN 106 8.811 5.857 7.434 391 2HE2 GLN 106 1HE2 GLN 106 9.436 7.381 6.901 392 H VAL 107 H VAL 107 5.873 2.916 3.193 393 HA VAL 107 HA VAL 107 6.274 3.643 0.486 394 HB VAL 107 HB VAL 107 4.560 1.604 1.955 395 1HG1 VAL 107 1HG1 VAL 107 4.453 2.287 -1.056 396 2HG1 VAL 107 2HG1 VAL 107 3.945 0.702 -0.365 397 3HG1 VAL 107 3HG1 VAL 107 3.078 2.197 0.109 398 1HG2 VAL 107 1HG2 VAL 107 6.906 1.514 -0.064 399 2HG2 VAL 107 2HG2 VAL 107 7.010 1.214 1.709 400 3HG2 VAL 107 3HG2 VAL 107 6.101 0.072 0.650 401 H VAL 108 H VAL 108 3.672 3.985 2.883 402 HA VAL 108 HA VAL 108 1.745 4.994 1.141 403 HB VAL 108 HB VAL 108 2.262 5.022 4.120 404 1HG1 VAL 108 1HG1 VAL 108 -0.030 6.507 2.680 405 2HG1 VAL 108 2HG1 VAL 108 0.007 6.084 4.434 406 3HG1 VAL 108 3HG1 VAL 108 1.217 7.226 3.786 407 1HG2 VAL 108 1HG2 VAL 108 1.457 2.984 2.820 408 2HG2 VAL 108 2HG2 VAL 108 0.284 3.534 4.070 409 3HG2 VAL 108 3HG2 VAL 108 -0.003 3.917 2.329 410 H ASN 109 H ASN 109 4.252 6.552 3.162 411 HA ASN 109 HA ASN 109 3.418 9.163 2.679 412 1HB ASN 109 1HB ASN 109 5.029 8.622 4.504 413 2HB ASN 109 2HB ASN 109 6.225 8.043 3.287 414 1HD2 ASN 109 2HD2 ASN 109 4.142 10.972 3.953 415 2HD2 ASN 109 1HD2 ASN 109 5.349 12.146 3.542 416 H LYS 110 H LYS 110 5.580 6.949 0.901 417 HA LYS 110 HA LYS 110 6.637 8.890 -0.808 418 1HB LYS 110 1HB LYS 110 7.591 6.561 -0.297 419 2HB LYS 110 2HB LYS 110 6.295 5.881 -1.338 420 1HG LYS 110 1HG LYS 110 7.205 7.269 -3.271 421 2HG LYS 110 2HG LYS 110 8.548 7.808 -2.203 422 1HD LYS 110 1HD LYS 110 7.901 4.895 -2.993 423 2HD LYS 110 2HD LYS 110 9.141 5.934 -3.778 424 1HE LYS 110 1HE LYS 110 10.429 6.052 -1.630 425 2HE LYS 110 2HE LYS 110 9.193 4.993 -0.827 426 1HZ LYS 110 1HZ LYS 110 10.822 4.279 -3.206 427 2HZ LYS 110 2HZ LYS 110 11.078 3.754 -1.610 428 3HZ LYS 110 3HZ LYS 110 9.668 3.294 -2.443 429 H VAL 111 H VAL 111 3.695 6.901 -0.842 430 HA VAL 111 HA VAL 111 3.189 7.426 -3.641 431 HB VAL 111 HB VAL 111 1.874 5.858 -1.349 432 1HG1 VAL 111 1HG1 VAL 111 0.704 6.340 -4.153 433 2HG1 VAL 111 2HG1 VAL 111 0.199 4.990 -3.069 434 3HG1 VAL 111 3HG1 VAL 111 -0.070 6.693 -2.561 435 1HG2 VAL 111 1HG2 VAL 111 3.901 4.879 -2.513 436 2HG2 VAL 111 2HG2 VAL 111 2.413 3.908 -2.810 437 3HG2 VAL 111 3HG2 VAL 111 3.046 5.015 -4.085 438 H LYS 112 H LYS 112 2.394 8.934 -0.588 439 HA LYS 112 HA LYS 112 0.105 10.189 -1.857 440 1HB LYS 112 1HB LYS 112 1.435 10.245 0.870 441 2HB LYS 112 2HB LYS 112 0.443 11.663 0.392 442 1HG LYS 112 1HG LYS 112 -0.674 9.713 1.752 443 2HG LYS 112 2HG LYS 112 -1.563 10.508 0.410 444 1HD LYS 112 1HD LYS 112 -1.102 8.655 -1.124 445 2HD LYS 112 2HD LYS 112 0.001 7.891 0.045 446 1HE LYS 112 1HE LYS 112 -2.190 6.744 0.002 447 2HE LYS 112 2HE LYS 112 -1.943 7.503 1.631 448 1HZ LYS 112 1HZ LYS 112 -3.530 8.632 -0.619 449 2HZ LYS 112 2HZ LYS 112 -4.145 7.874 0.771 450 3HZ LYS 112 3HZ LYS 112 -3.305 9.343 0.908 451 H GLU 113 H GLU 113 3.433 10.457 -1.936 452 HA GLU 113 HA GLU 113 3.371 13.339 -2.371 453 1HB GLU 113 1HB GLU 113 4.988 12.195 -0.912 454 2HB GLU 113 2HB GLU 113 5.508 11.115 -2.217 455 1HG GLU 113 1HG GLU 113 6.495 12.894 -3.532 456 2HG GLU 113 2HG GLU 113 5.866 14.161 -2.407 457 H ALA 114 H ALA 114 3.740 10.202 -3.683 458 HA ALA 114 HA ALA 114 4.967 11.078 -6.168 459 1HB ALA 114 1HB ALA 114 3.695 8.339 -5.554 460 2HB ALA 114 3HB ALA 114 5.452 8.734 -5.379 461 3HB ALA 114 2HB ALA 114 4.684 8.748 -7.004 462 H LEU 115 H LEU 115 1.881 10.331 -4.868 463 HA LEU 115 HA LEU 115 0.314 10.606 -7.334 464 1HB LEU 115 1HB LEU 115 -0.518 9.100 -5.536 465 2HB LEU 115 2HB LEU 115 -0.452 10.497 -4.398 466 HG LEU 115 HG LEU 115 -1.971 11.741 -5.822 467 1HD1 LEU 115 1HD1 LEU 115 -2.322 9.130 -7.424 468 2HD1 LEU 115 2HD1 LEU 115 -3.432 10.548 -7.535 469 3HD1 LEU 115 3HD1 LEU 115 -1.719 10.709 -8.054 470 1HD2 LEU 115 1HD2 LEU 115 -2.771 10.360 -3.843 471 2HD2 LEU 115 2HD2 LEU 115 -4.059 10.501 -5.100 472 3HD2 LEU 115 3HD2 LEU 115 -3.098 8.980 -4.949 473 H GLN 116 H GLN 116 1.463 12.183 -4.464 474 HA GLN 116 HA GLN 116 1.633 14.289 -3.872 475 1HB GLN 116 1HB GLN 116 2.622 14.564 -6.259 476 2HB GLN 116 2HB GLN 116 1.069 15.367 -6.655 477 1HG GLN 116 1HG GLN 116 1.503 17.012 -4.746 478 2HG GLN 116 2HG GLN 116 3.077 16.179 -4.435 479 1HE2 GLN 116 2HE2 GLN 116 1.678 18.800 -5.935 480 2HE2 GLN 116 1HE2 GLN 116 2.810 19.089 -7.214 481 H VAL 117 H VAL 117 -0.608 13.084 -3.271 482 HA VAL 117 HA VAL 117 -2.702 15.066 -3.621 483 HB VAL 117 HB VAL 117 -3.290 12.640 -3.683 484 1HG1 VAL 117 1HG1 VAL 117 -1.533 11.814 -2.100 485 2HG1 VAL 117 2HG1 VAL 117 -2.368 12.632 -0.723 486 3HG1 VAL 117 3HG1 VAL 117 -3.178 11.293 -1.606 487 1HG2 VAL 117 1HG2 VAL 117 -4.934 14.402 -2.987 488 2HG2 VAL 117 2HG2 VAL 117 -5.236 12.802 -2.213 489 3HG2 VAL 117 3HG2 VAL 117 -4.488 14.127 -1.259 490 H GLN 118 H GLN 118 0.179 14.356 -2.026 491 HA GLN 118 HA GLN 118 -0.343 15.088 0.561 492 1HB GLN 118 1HB GLN 118 1.974 15.668 0.892 493 2HB GLN 118 2HB GLN 118 1.858 14.174 -0.095 494 1HG GLN 118 1HG GLN 118 2.353 15.491 -2.166 495 2HG GLN 118 2HG GLN 118 2.395 17.022 -1.213 496 1HE2 GLN 118 2HE2 GLN 118 4.601 17.250 -1.992 497 2HE2 GLN 118 1HE2 GLN 118 5.901 16.423 -1.200 No H/Q in entry = 497 Start of MODEL 9 1 H1 TRP 59 1H TRP 59 -2.816 -9.320 -0.017 2 H2 TRP 59 2H TRP 59 -1.705 -10.066 -1.063 3 H3 TRP 59 3H TRP 59 -1.177 -9.416 0.415 4 HA TRP 59 HA TRP 59 -1.824 -7.277 -0.297 5 1HB TRP 59 1HB TRP 59 0.498 -8.602 -0.783 6 2HB TRP 59 2HB TRP 59 -0.027 -8.335 -2.487 7 HD1 TRP 59 HD1 TRP 59 0.362 -5.050 -0.680 8 HE1 TRP 59 HE1 TRP 59 2.086 -3.926 -2.158 9 HE3 TRP 59 HE3 TRP 59 2.157 -9.137 -3.035 10 HZ2 TRP 59 HZ2 TRP 59 4.368 -4.783 -3.653 11 HZ3 TRP 59 HZ3 TRP 59 4.040 -8.892 -4.571 12 HH2 TRP 59 HH2 TRP 59 5.184 -6.753 -4.816 13 H ILE 60 H ILE 60 -3.950 -8.875 -0.613 14 HA ILE 60 HA ILE 60 -5.005 -7.625 -2.926 15 HB ILE 60 HB ILE 60 -6.680 -9.793 -2.839 16 1HG1 ILE 60 1HG1 ILE 60 -5.134 -11.621 -3.590 17 2HG1 ILE 60 2HG1 ILE 60 -3.726 -10.667 -2.993 18 1HG2 ILE 60 1HG2 ILE 60 -6.184 -8.162 -4.599 19 2HG2 ILE 60 2HG2 ILE 60 -4.505 -8.821 -4.782 20 3HG2 ILE 60 3HG2 ILE 60 -5.934 -9.851 -5.210 21 1HD1 ILE 60 1HD1 ILE 60 -6.134 -11.499 -1.264 22 2HD1 ILE 60 2HD1 ILE 60 -4.568 -12.415 -1.321 23 3HD1 ILE 60 3HD1 ILE 60 -4.614 -10.702 -0.721 24 H ALA 61 H ALA 61 -6.042 -9.618 -0.158 25 HA ALA 61 HA ALA 61 -8.429 -7.927 0.084 26 1HB ALA 61 1HB ALA 61 -7.713 -10.689 1.270 27 2HB ALA 61 3HB ALA 61 -8.844 -10.418 -0.108 28 3HB ALA 61 2HB ALA 61 -9.270 -9.819 1.541 29 H ARG 62 H ARG 62 -5.499 -9.192 1.553 30 HA ARG 62 HA ARG 62 -5.971 -7.984 4.104 31 1HB ARG 62 1HB ARG 62 -3.445 -8.591 4.366 32 2HB ARG 62 2HB ARG 62 -4.622 -9.943 4.246 33 1HG ARG 62 1HG ARG 62 -4.095 -10.278 1.847 34 2HG ARG 62 2HG ARG 62 -3.040 -8.827 1.867 35 1HD ARG 62 1HD ARG 62 -1.553 -10.686 1.964 36 2HD ARG 62 2HD ARG 62 -1.630 -10.118 3.689 37 HE ARG 62 HE ARG 62 -3.652 -12.064 3.443 38 1HH1 ARG 62 1HH1 ARG 62 -3.176 -14.299 4.048 39 2HH1 ARG 62 2HH1 ARG 62 -1.549 -14.887 3.977 40 1HH2 ARG 62 1HH2 ARG 62 -0.148 -11.825 2.832 41 2HH2 ARG 62 2HH2 ARG 62 0.196 -13.463 3.278 42 H ILE 63 H ILE 63 -4.925 -7.062 0.944 43 HA ILE 63 HA ILE 63 -3.376 -4.827 1.810 44 HB ILE 63 HB ILE 63 -3.654 -6.303 -0.461 45 1HG1 ILE 63 1HG1 ILE 63 -2.293 -3.665 0.123 46 2HG1 ILE 63 2HG1 ILE 63 -1.601 -5.350 0.104 47 1HG2 ILE 63 1HG2 ILE 63 -5.736 -5.126 -1.163 48 2HG2 ILE 63 2HG2 ILE 63 -4.733 -3.636 -1.354 49 3HG2 ILE 63 3HG2 ILE 63 -4.387 -5.162 -2.312 50 1HD1 ILE 63 1HD1 ILE 63 -2.574 -4.119 -2.539 51 2HD1 ILE 63 2HD1 ILE 63 -0.932 -3.904 -1.863 52 3HD1 ILE 63 3HD1 ILE 63 -1.533 -5.563 -2.154 53 H ASN 64 H ASN 64 -6.673 -5.669 0.945 54 HA ASN 64 HA ASN 64 -7.563 -3.014 0.599 55 1HB ASN 64 1HB ASN 64 -8.501 -5.734 0.293 56 2HB ASN 64 2HB ASN 64 -9.681 -4.898 1.361 57 1HD2 ASN 64 2HD2 ASN 64 -10.118 -2.470 0.553 58 2HD2 ASN 64 1HD2 ASN 64 -10.485 -2.308 -1.133 59 H ALA 65 H ALA 65 -6.691 -4.917 3.211 60 HA ALA 65 HA ALA 65 -8.703 -3.757 5.021 61 1HB ALA 65 3HB ALA 65 -7.888 -5.449 6.694 62 2HB ALA 65 1HB ALA 65 -8.367 -6.274 5.163 63 3HB ALA 65 2HB ALA 65 -6.622 -5.983 5.523 64 H ALA 66 H ALA 66 -5.478 -3.374 3.917 65 HA ALA 66 HA ALA 66 -4.545 -2.362 6.464 66 1HB ALA 66 1HB ALA 66 -3.205 -2.533 3.700 67 2HB ALA 66 2HB ALA 66 -2.391 -2.030 5.227 68 3HB ALA 66 3HB ALA 66 -2.984 -3.724 5.036 69 H VAL 67 H VAL 67 -5.813 -1.304 3.342 70 HA VAL 67 HA VAL 67 -4.554 1.257 3.486 71 HB VAL 67 HB VAL 67 -5.952 1.710 1.435 72 1HG1 VAL 67 1HG1 VAL 67 -4.080 -0.744 1.464 73 2HG1 VAL 67 2HG1 VAL 67 -4.545 0.209 0.005 74 3HG1 VAL 67 3HG1 VAL 67 -3.600 0.984 1.331 75 1HG2 VAL 67 1HG2 VAL 67 -6.782 -1.238 1.816 76 2HG2 VAL 67 2HG2 VAL 67 -7.861 0.197 1.865 77 3HG2 VAL 67 3HG2 VAL 67 -7.041 -0.264 0.343 78 H ARG 68 H ARG 68 -7.545 -0.223 4.522 79 HA ARG 68 HA ARG 68 -9.045 2.180 4.432 80 1HB ARG 68 1HB ARG 68 -10.652 0.816 5.957 81 2HB ARG 68 2HB ARG 68 -10.395 0.253 4.273 82 1HG ARG 68 1HG ARG 68 -8.783 -1.446 5.049 83 2HG ARG 68 2HG ARG 68 -8.994 -0.921 6.753 84 1HD ARG 68 1HD ARG 68 -11.236 -2.046 4.949 85 2HD ARG 68 2HD ARG 68 -10.314 -2.963 6.224 86 HE ARG 68 HE ARG 68 -11.459 -0.522 7.326 87 1HH1 ARG 68 1HH1 ARG 68 -13.286 -0.794 8.780 88 2HH1 ARG 68 2HH1 ARG 68 -14.184 -2.276 8.779 89 1HH2 ARG 68 1HH2 ARG 68 -12.228 -3.836 6.248 90 2HH2 ARG 68 2HH2 ARG 68 -13.575 -4.026 7.322 91 H ALA 69 H ALA 69 -8.169 3.833 5.518 92 HA ALA 69 HA ALA 69 -8.269 4.048 8.264 93 1HB ALA 69 1HB ALA 69 -5.452 3.447 7.098 94 2HB ALA 69 2HB ALA 69 -5.736 4.240 8.695 95 3HB ALA 69 3HB ALA 69 -6.246 2.537 8.433 96 H TYR 70 H TYR 70 -6.340 4.657 5.301 97 HA TYR 70 HA TYR 70 -5.863 7.352 6.073 98 1HB TYR 70 1HB TYR 70 -5.360 6.033 3.331 99 2HB TYR 70 2HB TYR 70 -4.524 7.491 4.013 100 HD1 TYR 70 HD1 TYR 70 -3.500 6.955 6.479 101 HD2 TYR 70 HD2 TYR 70 -4.276 4.063 3.431 102 HE1 TYR 70 HE1 TYR 70 -1.891 5.420 7.514 103 HE2 TYR 70 HE2 TYR 70 -2.648 2.562 4.444 104 HH TYR 70 HH TYR 70 -1.211 2.210 6.119 105 H GLY 71 H GLY 71 -7.839 5.553 3.686 106 1HA GLY 71 2HA GLY 71 -8.749 8.098 2.585 107 2HA GLY 71 1HA GLY 71 -9.912 6.787 3.081 108 H LEU 72 H LEU 72 -6.829 5.622 2.223 109 HA LEU 72 HA LEU 72 -7.345 5.220 -0.563 110 1HB LEU 72 1HB LEU 72 -5.529 3.719 1.420 111 2HB LEU 72 2HB LEU 72 -5.556 3.450 -0.357 112 HG LEU 72 HG LEU 72 -4.747 6.063 1.075 113 1HD1 LEU 72 1HD1 LEU 72 -3.094 4.241 1.436 114 2HD1 LEU 72 2HD1 LEU 72 -3.032 3.931 -0.337 115 3HD1 LEU 72 3HD1 LEU 72 -2.431 5.498 0.324 116 1HD2 LEU 72 1HD2 LEU 72 -4.706 5.279 -1.899 117 2HD2 LEU 72 2HD2 LEU 72 -5.705 6.566 -1.145 118 3HD2 LEU 72 3HD2 LEU 72 -3.909 6.753 -1.217 119 H ASN 73 H ASN 73 -8.169 3.536 -1.544 120 HA ASN 73 HA ASN 73 -9.527 1.648 0.162 121 1HB ASN 73 1HB ASN 73 -11.528 1.665 -1.281 122 2HB ASN 73 2HB ASN 73 -11.221 3.312 -0.623 123 1HD2 ASN 73 2HD2 ASN 73 -12.119 1.628 -3.317 124 2HD2 ASN 73 1HD2 ASN 73 -11.628 2.718 -4.569 125 H TYR 74 H TYR 74 -6.977 1.784 -1.393 126 HA TYR 74 HA TYR 74 -5.693 0.297 -2.258 127 1HB TYR 74 1HB TYR 74 -6.799 -1.662 -1.405 128 2HB TYR 74 2HB TYR 74 -8.103 -1.539 -2.632 129 HD1 TYR 74 HD1 TYR 74 -4.299 -1.635 -2.967 130 HD2 TYR 74 HD2 TYR 74 -8.111 -3.330 -3.849 131 HE1 TYR 74 HE1 TYR 74 -3.250 -3.214 -4.506 132 HE2 TYR 74 HE2 TYR 74 -7.045 -4.970 -5.301 133 HH TYR 74 HH TYR 74 -3.532 -5.013 -5.820 134 H SER 75 H SER 75 -8.430 1.648 -3.971 135 HA SER 75 HA SER 75 -7.325 0.856 -6.513 136 1HB SER 75 1HB SER 75 -9.106 2.067 -7.607 137 2HB SER 75 2HB SER 75 -9.840 1.148 -6.238 138 HG SER 75 HG SER 75 -10.522 3.315 -6.388 139 H THR 76 H THR 76 -7.151 3.556 -4.256 140 HA THR 76 HA THR 76 -6.119 5.311 -6.293 141 HB THR 76 HB THR 76 -5.841 6.755 -4.061 142 HG1 THR 76 HG1 THR 76 -7.745 4.724 -3.467 143 1HG2 THR 76 1HG2 THR 76 -8.569 5.987 -5.321 144 2HG2 THR 76 2HG2 THR 76 -8.230 7.474 -4.359 145 3HG2 THR 76 3HG2 THR 76 -7.428 7.232 -5.958 146 H PHE 77 H PHE 77 -5.161 3.193 -3.684 147 HA PHE 77 HA PHE 77 -2.515 3.997 -3.383 148 1HB PHE 77 1HB PHE 77 -3.863 2.195 -2.001 149 2HB PHE 77 2HB PHE 77 -3.569 1.075 -3.370 150 HD1 PHE 77 HD1 PHE 77 -2.141 -0.539 -2.533 151 HD2 PHE 77 HD2 PHE 77 -1.209 3.574 -1.744 152 HE1 PHE 77 HE1 PHE 77 -0.127 -1.199 -1.354 153 HE2 PHE 77 HE2 PHE 77 0.851 2.887 -0.650 154 HZ PHE 77 HZ PHE 77 1.399 0.495 -0.435 155 H ILE 78 H ILE 78 -4.304 1.786 -5.476 156 HA ILE 78 HA ILE 78 -2.311 0.614 -6.813 157 HB ILE 78 HB ILE 78 -5.127 0.732 -7.014 158 1HG1 ILE 78 1HG1 ILE 78 -3.075 -1.155 -8.273 159 2HG1 ILE 78 2HG1 ILE 78 -3.382 -1.112 -6.500 160 1HG2 ILE 78 1HG2 ILE 78 -3.718 0.699 -9.768 161 2HG2 ILE 78 2HG2 ILE 78 -5.421 0.245 -9.439 162 3HG2 ILE 78 3HG2 ILE 78 -4.915 1.936 -9.200 163 1HD1 ILE 78 1HD1 ILE 78 -5.528 -1.790 -8.614 164 2HD1 ILE 78 2HD1 ILE 78 -4.655 -2.953 -7.547 165 3HD1 ILE 78 3HD1 ILE 78 -5.747 -1.720 -6.817 166 H ASN 79 H ASN 79 -3.943 3.736 -7.467 167 HA ASN 79 HA ASN 79 -2.872 3.968 -10.024 168 1HB ASN 79 1HB ASN 79 -3.788 5.991 -10.309 169 2HB ASN 79 2HB ASN 79 -4.967 5.220 -9.168 170 1HD2 ASN 79 2HD2 ASN 79 -5.568 6.462 -7.407 171 2HD2 ASN 79 1HD2 ASN 79 -4.906 8.017 -7.026 172 H GLY 80 H GLY 80 -2.136 5.602 -7.066 173 1HA GLY 80 2HA GLY 80 -0.340 6.903 -6.435 174 2HA GLY 80 1HA GLY 80 -0.113 7.148 -8.196 175 H LEU 81 H LEU 81 0.095 3.881 -6.881 176 HA LEU 81 HA LEU 81 2.915 3.887 -6.583 177 1HB LEU 81 1HB LEU 81 1.224 1.632 -7.645 178 2HB LEU 81 2HB LEU 81 2.770 1.381 -7.004 179 HG LEU 81 HG LEU 81 0.896 2.736 -5.076 180 1HD1 LEU 81 1HD1 LEU 81 0.956 -0.277 -5.655 181 2HD1 LEU 81 2HD1 LEU 81 0.150 0.507 -4.247 182 3HD1 LEU 81 3HD1 LEU 81 -0.428 0.815 -5.930 183 1HD2 LEU 81 1HD2 LEU 81 3.369 2.522 -4.666 184 2HD2 LEU 81 2HD2 LEU 81 2.373 1.634 -3.446 185 3HD2 LEU 81 3HD2 LEU 81 3.211 0.747 -4.784 186 H LYS 82 H LYS 82 0.687 3.514 -9.369 187 HA LYS 82 HA LYS 82 2.747 2.459 -11.016 188 1HB LYS 82 1HB LYS 82 0.199 2.038 -11.269 189 2HB LYS 82 2HB LYS 82 0.070 3.735 -11.840 190 1HG LYS 82 1HG LYS 82 0.056 2.241 -13.746 191 2HG LYS 82 2HG LYS 82 1.597 3.161 -13.782 192 1HD LYS 82 1HD LYS 82 2.805 1.175 -12.843 193 2HD LYS 82 2HD LYS 82 1.245 0.285 -12.714 194 1HE LYS 82 1HE LYS 82 0.985 0.390 -15.218 195 2HE LYS 82 2HE LYS 82 2.569 1.262 -15.336 196 1HZ LYS 82 1HZ LYS 82 3.620 -0.638 -14.301 197 2HZ LYS 82 2HZ LYS 82 2.132 -1.451 -14.198 198 3HZ LYS 82 3HZ LYS 82 2.796 -1.084 -15.717 199 H LYS 83 H LYS 83 1.516 5.562 -10.012 200 HA LYS 83 HA LYS 83 2.605 7.093 -12.104 201 1HB LYS 83 1HB LYS 83 0.765 7.834 -10.537 202 2HB LYS 83 2HB LYS 83 1.964 7.925 -9.212 203 1HG LYS 83 1HG LYS 83 3.180 9.724 -10.347 204 2HG LYS 83 2HG LYS 83 2.228 9.488 -11.855 205 1HD LYS 83 1HD LYS 83 0.160 10.245 -10.736 206 2HD LYS 83 2HD LYS 83 1.009 10.323 -9.154 207 1HE LYS 83 1HE LYS 83 0.765 12.608 -10.117 208 2HE LYS 83 2HE LYS 83 2.514 12.145 -10.053 209 1HZ LYS 83 1HZ LYS 83 2.373 11.532 -12.376 210 2HZ LYS 83 2HZ LYS 83 0.736 11.975 -12.432 211 3HZ LYS 83 3HZ LYS 83 1.922 13.152 -12.135 212 H ALA 84 H ALA 84 3.792 5.738 -9.021 213 HA ALA 84 HA ALA 84 6.296 7.056 -9.195 214 1HB ALA 84 1HB ALA 84 5.499 6.091 -7.018 215 2HB ALA 84 3HB ALA 84 7.094 5.415 -7.519 216 3HB ALA 84 2HB ALA 84 5.593 4.446 -7.733 217 H GLY 85 H GLY 85 5.075 3.776 -10.014 218 1HA GLY 85 2HA GLY 85 7.324 3.490 -11.852 219 2HA GLY 85 1HA GLY 85 5.621 2.962 -12.177 220 H ILE 86 H ILE 86 5.219 2.126 -9.345 221 HA ILE 86 HA ILE 86 7.159 -0.022 -9.092 222 HB ILE 86 HB ILE 86 5.220 1.380 -7.183 223 1HG1 ILE 86 1HG1 ILE 86 8.303 1.317 -7.260 224 2HG1 ILE 86 2HG1 ILE 86 7.288 2.680 -7.834 225 1HG2 ILE 86 1HG2 ILE 86 7.154 -0.983 -6.689 226 2HG2 ILE 86 2HG2 ILE 86 6.251 -0.076 -5.412 227 3HG2 ILE 86 3HG2 ILE 86 5.348 -1.029 -6.621 228 1HD1 ILE 86 1HD1 ILE 86 6.332 2.962 -5.528 229 2HD1 ILE 86 2HD1 ILE 86 7.441 1.669 -4.924 230 3HD1 ILE 86 3HD1 ILE 86 8.121 3.193 -5.599 231 H GLU 87 H GLU 87 6.404 -1.968 -9.827 232 HA GLU 87 HA GLU 87 3.541 -2.319 -10.051 233 1HB GLU 87 1HB GLU 87 4.097 -4.676 -10.761 234 2HB GLU 87 2HB GLU 87 4.678 -3.384 -11.865 235 1HG GLU 87 1HG GLU 87 6.992 -3.575 -10.912 236 2HG GLU 87 2HG GLU 87 6.435 -4.925 -9.846 237 H LEU 88 H LEU 88 2.335 -3.029 -8.420 238 HA LEU 88 HA LEU 88 3.807 -4.077 -6.119 239 1HB LEU 88 1HB LEU 88 2.944 -1.529 -6.254 240 2HB LEU 88 2HB LEU 88 1.371 -2.320 -5.814 241 HG LEU 88 HG LEU 88 2.866 -3.481 -3.987 242 1HD1 LEU 88 1HD1 LEU 88 5.047 -2.555 -4.734 243 2HD1 LEU 88 2HD1 LEU 88 4.446 -0.883 -4.424 244 3HD1 LEU 88 3HD1 LEU 88 4.675 -2.014 -3.058 245 1HD2 LEU 88 1HD2 LEU 88 0.891 -2.048 -3.541 246 2HD2 LEU 88 2HD2 LEU 88 2.178 -1.942 -2.288 247 3HD2 LEU 88 3HD2 LEU 88 1.987 -0.618 -3.467 248 H ASP 89 H ASP 89 1.543 -4.575 -4.546 249 HA ASP 89 HA ASP 89 0.334 -6.156 -3.867 250 1HB ASP 89 1HB ASP 89 -1.858 -6.578 -5.112 251 2HB ASP 89 2HB ASP 89 -1.467 -4.903 -4.680 252 H ARG 90 H ARG 90 -0.846 -8.106 -4.085 253 HA ARG 90 HA ARG 90 -1.455 -9.954 -4.542 254 1HB ARG 90 1HB ARG 90 0.725 -10.314 -6.666 255 2HB ARG 90 2HB ARG 90 -0.429 -11.616 -6.236 256 1HG ARG 90 1HG ARG 90 -2.299 -10.506 -7.108 257 2HG ARG 90 2HG ARG 90 -1.527 -8.885 -7.067 258 1HD ARG 90 1HD ARG 90 -0.522 -11.108 -8.946 259 2HD ARG 90 2HD ARG 90 -1.746 -9.843 -9.418 260 HE ARG 90 HE ARG 90 0.410 -8.456 -8.217 261 1HH1 ARG 90 1HH1 ARG 90 2.075 -7.478 -9.550 262 2HH1 ARG 90 2HH1 ARG 90 2.359 -8.066 -11.154 263 1HH2 ARG 90 1HH2 ARG 90 -0.165 -10.576 -11.022 264 2HH2 ARG 90 2HH2 ARG 90 1.067 -9.854 -12.006 265 H LYS 91 H LYS 91 -0.457 -9.933 -2.289 266 HA LYS 91 HA LYS 91 0.340 -10.500 -0.647 267 1HB LYS 91 1HB LYS 91 0.089 -13.386 -0.598 268 2HB LYS 91 2HB LYS 91 -0.793 -12.055 0.234 269 1HG LYS 91 1HG LYS 91 -2.456 -13.260 -0.928 270 2HG LYS 91 2HG LYS 91 -2.183 -11.761 -1.864 271 1HD LYS 91 1HD LYS 91 -0.474 -13.405 -3.223 272 2HD LYS 91 2HD LYS 91 -1.583 -14.658 -2.575 273 1HE LYS 91 1HE LYS 91 -3.535 -13.416 -3.607 274 2HE LYS 91 2HE LYS 91 -2.397 -12.142 -4.206 275 1HZ LYS 91 1HZ LYS 91 -2.327 -15.036 -4.917 276 2HZ LYS 91 2HZ LYS 91 -2.934 -13.780 -5.884 277 3HZ LYS 91 3HZ LYS 91 -1.280 -13.834 -5.502 278 H ILE 92 H ILE 92 2.151 -9.598 -0.744 279 HA ILE 92 HA ILE 92 4.230 -11.433 0.015 280 HB ILE 92 HB ILE 92 4.600 -9.220 -2.021 281 1HG1 ILE 92 1HG1 ILE 92 4.133 -12.158 -2.480 282 2HG1 ILE 92 2HG1 ILE 92 3.580 -10.754 -3.374 283 1HG2 ILE 92 1HG2 ILE 92 6.586 -9.606 -0.476 284 2HG2 ILE 92 2HG2 ILE 92 6.602 -11.341 -0.959 285 3HG2 ILE 92 3HG2 ILE 92 6.988 -10.045 -2.153 286 1HD1 ILE 92 1HD1 ILE 92 5.928 -10.406 -4.300 287 2HD1 ILE 92 2HD1 ILE 92 6.412 -11.959 -3.509 288 3HD1 ILE 92 3HD1 ILE 92 5.149 -11.954 -4.790 289 H LEU 93 H LEU 93 2.983 -7.972 -0.492 290 HA LEU 93 HA LEU 93 5.223 -7.060 1.196 291 1HB LEU 93 1HB LEU 93 4.651 -5.895 -0.983 292 2HB LEU 93 2HB LEU 93 3.075 -6.022 -0.451 293 HG LEU 93 HG LEU 93 4.535 -4.117 1.223 294 1HD1 LEU 93 1HD1 LEU 93 5.386 -3.434 -1.021 295 2HD1 LEU 93 2HD1 LEU 93 3.695 -3.275 -1.619 296 3HD1 LEU 93 3HD1 LEU 93 4.258 -2.203 -0.317 297 1HD2 LEU 93 1HD2 LEU 93 1.786 -4.752 0.863 298 2HD2 LEU 93 2HD2 LEU 93 2.432 -3.279 1.698 299 3HD2 LEU 93 3HD2 LEU 93 1.976 -3.237 -0.049 300 H ALA 94 H ALA 94 1.764 -7.335 0.600 301 HA ALA 94 HA ALA 94 1.058 -5.986 2.894 302 1HB ALA 94 1HB ALA 94 -0.231 -6.579 0.713 303 2HB ALA 94 2HB ALA 94 -0.516 -8.171 1.537 304 3HB ALA 94 3HB ALA 94 -1.179 -6.688 2.321 305 H ASP 95 H ASP 95 2.975 -8.239 3.053 306 HA ASP 95 HA ASP 95 1.868 -9.561 5.429 307 1HB ASP 95 1HB ASP 95 3.880 -10.664 4.522 308 2HB ASP 95 2HB ASP 95 4.565 -9.100 4.070 309 H MET 96 H MET 96 4.098 -7.029 4.152 310 HA MET 96 HA MET 96 4.418 -5.984 6.827 311 1HB MET 96 1HB MET 96 6.317 -5.301 5.766 312 2HB MET 96 2HB MET 96 5.486 -5.265 4.193 313 1HG MET 96 1HG MET 96 4.875 -2.955 5.972 314 2HG MET 96 2HG MET 96 6.465 -3.114 5.213 315 1HE MET 96 1HE MET 96 6.825 -3.922 2.773 316 2HE MET 96 2HE MET 96 6.391 -2.560 1.687 317 3HE MET 96 3HE MET 96 7.185 -2.228 3.264 318 H ALA 97 H ALA 97 2.083 -5.340 4.218 319 HA ALA 97 HA ALA 97 1.460 -2.799 4.932 320 1HB ALA 97 1HB ALA 97 0.507 -3.886 2.875 321 2HB ALA 97 2HB ALA 97 -0.606 -4.824 3.950 322 3HB ALA 97 3HB ALA 97 -0.723 -3.027 3.856 323 H VAL 98 H VAL 98 0.533 -5.802 6.432 324 HA VAL 98 HA VAL 98 -1.561 -4.504 7.983 325 HB VAL 98 HB VAL 98 -0.837 -7.450 8.094 326 1HG1 VAL 98 1HG1 VAL 98 -3.483 -5.875 8.302 327 2HG1 VAL 98 2HG1 VAL 98 -3.294 -7.661 8.486 328 3HG1 VAL 98 3HG1 VAL 98 -2.528 -6.551 9.677 329 1HG2 VAL 98 1HG2 VAL 98 -2.342 -6.116 5.766 330 2HG2 VAL 98 2HG2 VAL 98 -0.779 -7.040 5.720 331 3HG2 VAL 98 3HG2 VAL 98 -2.293 -7.888 6.122 332 H ARG 99 H ARG 99 1.388 -6.531 8.151 333 HA ARG 99 HA ARG 99 1.097 -6.619 11.005 334 1HB ARG 99 1HB ARG 99 2.813 -8.335 9.128 335 2HB ARG 99 2HB ARG 99 2.591 -8.582 10.890 336 1HG ARG 99 1HG ARG 99 0.810 -9.882 10.476 337 2HG ARG 99 2HG ARG 99 -0.058 -8.434 9.902 338 1HD ARG 99 1HD ARG 99 -0.324 -9.630 7.902 339 2HD ARG 99 2HD ARG 99 1.388 -9.289 7.584 340 HE ARG 99 HE ARG 99 1.481 -11.484 9.315 341 1HH1 ARG 99 1HH1 ARG 99 1.663 -13.652 8.420 342 2HH1 ARG 99 2HH1 ARG 99 1.098 -13.982 6.817 343 1HH2 ARG 99 1HH2 ARG 99 0.008 -10.657 6.172 344 2HH2 ARG 99 2HH2 ARG 99 0.142 -12.256 5.522 345 H ASP 100 H ASP 100 3.108 -4.979 8.638 346 HA ASP 100 HA ASP 100 4.738 -4.093 10.861 347 1HB ASP 100 1HB ASP 100 5.903 -5.480 8.979 348 2HB ASP 100 2HB ASP 100 5.671 -4.103 7.923 349 HA PRO 101 HA PRO 101 2.231 -0.989 8.613 350 1HB PRO 101 1HB PRO 101 1.148 0.425 10.800 351 2HB PRO 101 2HB PRO 101 0.436 -1.092 10.114 352 1HG PRO 101 1HG PRO 101 2.302 -0.814 12.521 353 2HG PRO 101 2HG PRO 101 0.796 -1.815 12.366 354 1HD PRO 101 1HD PRO 101 3.371 -2.863 11.985 355 2HD PRO 101 2HD PRO 101 1.988 -3.464 10.957 356 H GLN 102 H GLN 102 4.983 -0.735 10.611 357 HA GLN 102 HA GLN 102 5.207 2.111 10.544 358 1HB GLN 102 1HB GLN 102 7.366 -0.071 10.858 359 2HB GLN 102 2HB GLN 102 7.602 1.682 11.169 360 1HG GLN 102 1HG GLN 102 5.736 -0.221 12.749 361 2HG GLN 102 2HG GLN 102 7.332 0.417 13.296 362 1HE2 GLN 102 2HE2 GLN 102 4.018 0.850 13.522 363 2HE2 GLN 102 1HE2 GLN 102 3.945 2.529 13.938 364 H ALA 103 H ALA 103 6.407 -0.750 8.737 365 HA ALA 103 HA ALA 103 7.825 0.883 6.886 366 1HB ALA 103 1HB ALA 103 7.152 -2.104 6.941 367 2HB ALA 103 3HB ALA 103 8.724 -1.347 7.376 368 3HB ALA 103 2HB ALA 103 8.165 -1.322 5.659 369 H PHE 104 H PHE 104 4.686 -1.009 6.905 370 HA PHE 104 HA PHE 104 3.948 -0.210 4.426 371 1HB PHE 104 1HB PHE 104 2.430 -1.470 6.122 372 2HB PHE 104 2HB PHE 104 1.980 0.157 6.759 373 HD1 PHE 104 HD1 PHE 104 -0.211 0.371 6.159 374 HD2 PHE 104 HD2 PHE 104 2.518 -0.934 3.139 375 HE1 PHE 104 HE1 PHE 104 -1.981 0.492 4.469 376 HE2 PHE 104 HE2 PHE 104 0.764 -0.792 1.482 377 HZ PHE 104 HZ PHE 104 -1.506 -0.077 2.120 378 H GLU 105 H GLU 105 3.930 1.960 7.319 379 HA GLU 105 HA GLU 105 2.608 3.988 5.881 380 1HB GLU 105 1HB GLU 105 4.164 3.909 8.481 381 2HB GLU 105 2HB GLU 105 3.714 5.497 7.777 382 1HG GLU 105 1HG GLU 105 1.559 3.354 8.213 383 2HG GLU 105 2HG GLU 105 2.121 4.430 9.551 384 H GLN 106 H GLN 106 5.873 2.856 5.686 385 HA GLN 106 HA GLN 106 6.935 5.393 4.838 386 1HB GLN 106 1HB GLN 106 7.951 2.503 4.641 387 2HB GLN 106 2HB GLN 106 8.763 3.872 3.868 388 1HG GLN 106 1HG GLN 106 9.051 4.968 6.149 389 2HG GLN 106 2HG GLN 106 8.211 3.557 6.905 390 1HE2 GLN 106 2HE2 GLN 106 11.207 4.865 6.291 391 2HE2 GLN 106 1HE2 GLN 106 12.181 3.433 6.258 392 H VAL 107 H VAL 107 5.499 2.473 3.472 393 HA VAL 107 HA VAL 107 6.182 3.056 0.774 394 HB VAL 107 HB VAL 107 3.847 1.391 1.855 395 1HG1 VAL 107 1HG1 VAL 107 4.998 1.717 -1.000 396 2HG1 VAL 107 2HG1 VAL 107 3.895 0.385 -0.497 397 3HG1 VAL 107 3HG1 VAL 107 3.311 2.080 -0.464 398 1HG2 VAL 107 1HG2 VAL 107 6.644 0.630 0.774 399 2HG2 VAL 107 2HG2 VAL 107 6.098 0.489 2.488 400 3HG2 VAL 107 3HG2 VAL 107 5.336 -0.528 1.212 401 H VAL 108 H VAL 108 3.510 3.889 2.950 402 HA VAL 108 HA VAL 108 1.929 5.122 0.929 403 HB VAL 108 HB VAL 108 2.029 5.005 3.985 404 1HG1 VAL 108 1HG1 VAL 108 0.022 6.533 2.219 405 2HG1 VAL 108 2HG1 VAL 108 -0.271 6.075 3.947 406 3HG1 VAL 108 3HG1 VAL 108 1.077 7.193 3.542 407 1HG2 VAL 108 1HG2 VAL 108 1.353 2.936 2.703 408 2HG2 VAL 108 2HG2 VAL 108 -0.021 3.599 3.657 409 3HG2 VAL 108 3HG2 VAL 108 0.063 3.881 1.875 410 H ASN 109 H ASN 109 4.499 6.081 3.185 411 HA ASN 109 HA ASN 109 4.064 8.859 2.855 412 1HB ASN 109 1HB ASN 109 5.453 7.870 4.755 413 2HB ASN 109 2HB ASN 109 6.715 7.430 3.541 414 1HD2 ASN 109 2HD2 ASN 109 8.295 8.899 3.189 415 2HD2 ASN 109 1HD2 ASN 109 8.231 10.588 3.567 416 H LYS 110 H LYS 110 5.634 6.332 0.933 417 HA LYS 110 HA LYS 110 7.013 8.191 -0.713 418 1HB LYS 110 1HB LYS 110 7.556 5.727 -0.587 419 2HB LYS 110 2HB LYS 110 6.024 5.384 -1.452 420 1HG LYS 110 1HG LYS 110 6.805 6.753 -3.400 421 2HG LYS 110 2HG LYS 110 8.354 7.076 -2.546 422 1HD LYS 110 1HD LYS 110 7.277 4.294 -3.337 423 2HD LYS 110 2HD LYS 110 8.481 5.247 -4.273 424 1HE LYS 110 1HE LYS 110 10.084 5.147 -2.338 425 2HE LYS 110 2HE LYS 110 8.893 4.146 -1.408 426 1HZ LYS 110 1HZ LYS 110 10.099 3.442 -4.031 427 2HZ LYS 110 2HZ LYS 110 10.529 2.810 -2.514 428 3HZ LYS 110 3HZ LYS 110 8.982 2.508 -3.153 429 H VAL 111 H VAL 111 3.854 6.432 -0.904 430 HA VAL 111 HA VAL 111 3.099 7.968 -3.261 431 HB VAL 111 HB VAL 111 1.716 5.598 -1.869 432 1HG1 VAL 111 1HG1 VAL 111 1.608 6.760 -4.753 433 2HG1 VAL 111 2HG1 VAL 111 0.915 5.168 -4.287 434 3HG1 VAL 111 3HG1 VAL 111 0.210 6.672 -3.612 435 1HG2 VAL 111 1HG2 VAL 111 3.852 5.714 -4.102 436 2HG2 VAL 111 2HG2 VAL 111 4.013 4.869 -2.507 437 3HG2 VAL 111 3HG2 VAL 111 2.844 4.273 -3.733 438 H LYS 112 H LYS 112 3.142 9.109 -0.379 439 HA LYS 112 HA LYS 112 0.604 10.348 -1.113 440 1HB LYS 112 1HB LYS 112 0.934 11.900 0.811 441 2HB LYS 112 2HB LYS 112 1.054 10.169 1.313 442 1HG LYS 112 1HG LYS 112 2.748 10.987 2.538 443 2HG LYS 112 2HG LYS 112 3.634 10.517 1.049 444 1HD LYS 112 1HD LYS 112 3.531 12.942 0.305 445 2HD LYS 112 2HD LYS 112 2.717 13.350 1.856 446 1HE LYS 112 1HE LYS 112 4.747 12.661 3.121 447 2HE LYS 112 2HE LYS 112 5.543 12.114 1.585 448 1HZ LYS 112 1HZ LYS 112 4.652 14.883 2.202 449 2HZ LYS 112 2HZ LYS 112 6.247 14.299 2.246 450 3HZ LYS 112 3HZ LYS 112 5.407 14.362 0.772 451 H GLU 113 H GLU 113 4.014 10.675 -1.371 452 HA GLU 113 HA GLU 113 3.822 13.323 -2.459 453 1HB GLU 113 1HB GLU 113 5.747 12.298 -1.044 454 2HB GLU 113 2HB GLU 113 6.225 11.391 -2.494 455 1HG GLU 113 1HG GLU 113 6.596 13.487 -3.773 456 2HG GLU 113 2HG GLU 113 6.011 14.468 -2.372 457 H ALA 114 H ALA 114 4.646 10.031 -3.559 458 HA ALA 114 HA ALA 114 5.084 10.801 -6.259 459 1HB ALA 114 1HB ALA 114 4.362 8.015 -5.152 460 2HB ALA 114 3HB ALA 114 6.042 8.627 -5.396 461 3HB ALA 114 2HB ALA 114 4.957 8.360 -6.819 462 H LEU 115 H LEU 115 2.318 10.174 -4.240 463 HA LEU 115 HA LEU 115 0.442 9.630 -6.354 464 1HB LEU 115 1HB LEU 115 0.041 8.894 -4.076 465 2HB LEU 115 2HB LEU 115 0.178 10.586 -3.493 466 HG LEU 115 HG LEU 115 -1.710 11.148 -5.065 467 1HD1 LEU 115 1HD1 LEU 115 -1.732 9.167 -6.553 468 2HD1 LEU 115 2HD1 LEU 115 -2.115 8.085 -5.162 469 3HD1 LEU 115 3HD1 LEU 115 -3.318 9.309 -5.717 470 1HD2 LEU 115 1HD2 LEU 115 -1.997 10.982 -2.608 471 2HD2 LEU 115 2HD2 LEU 115 -3.484 10.395 -3.443 472 3HD2 LEU 115 3HD2 LEU 115 -2.317 9.212 -2.734 473 H GLN 116 H GLN 116 0.576 12.327 -4.102 474 HA GLN 116 HA GLN 116 -0.867 13.712 -6.271 475 1HB GLN 116 1HB GLN 116 -1.381 13.251 -3.456 476 2HB GLN 116 2HB GLN 116 -1.189 15.018 -3.691 477 1HG GLN 116 1HG GLN 116 -3.116 13.217 -5.311 478 2HG GLN 116 2HG GLN 116 -3.588 14.230 -3.893 479 1HE2 GLN 116 2HE2 GLN 116 -3.231 14.152 -7.297 480 2HE2 GLN 116 1HE2 GLN 116 -3.301 15.850 -7.628 481 H VAL 117 H VAL 117 1.984 13.699 -4.506 482 HA VAL 117 HA VAL 117 3.589 15.032 -4.056 483 HB VAL 117 HB VAL 117 2.604 17.310 -5.773 484 1HG1 VAL 117 1HG1 VAL 117 5.325 16.147 -4.845 485 2HG1 VAL 117 2HG1 VAL 117 5.121 17.632 -5.858 486 3HG1 VAL 117 3HG1 VAL 117 4.534 17.605 -4.151 487 1HG2 VAL 117 1HG2 VAL 117 4.035 14.681 -6.548 488 2HG2 VAL 117 2HG2 VAL 117 2.461 15.262 -7.184 489 3HG2 VAL 117 3HG2 VAL 117 3.973 16.147 -7.605 490 H GLN 118 H GLN 118 1.290 14.583 -2.764 491 HA GLN 118 HA GLN 118 0.513 16.998 -1.453 492 1HB GLN 118 1HB GLN 118 -1.186 15.542 -0.881 493 2HB GLN 118 2HB GLN 118 -0.143 14.148 -1.263 494 1HG GLN 118 1HG GLN 118 -0.821 13.876 0.995 495 2HG GLN 118 2HG GLN 118 0.925 14.286 1.036 496 1HE2 GLN 118 2HE2 GLN 118 0.313 14.805 3.338 497 2HE2 GLN 118 1HE2 GLN 118 -0.286 16.386 3.713 No H/Q in entry = 497 Start of MODEL 10 1 H1 TRP 59 1H TRP 59 -4.381 -10.882 -0.898 2 H2 TRP 59 2H TRP 59 -4.148 -10.698 -2.570 3 H3 TRP 59 3H TRP 59 -2.937 -11.413 -1.618 4 HA TRP 59 HA TRP 59 -2.627 -9.359 -0.437 5 1HB TRP 59 1HB TRP 59 -1.557 -8.134 -2.443 6 2HB TRP 59 2HB TRP 59 -1.308 -9.855 -2.448 7 HD1 TRP 59 HD1 TRP 59 -2.880 -7.145 -4.578 8 HE1 TRP 59 HE1 TRP 59 -3.802 -8.141 -6.747 9 HE3 TRP 59 HE3 TRP 59 -2.333 -12.077 -3.460 10 HZ2 TRP 59 HZ2 TRP 59 -4.282 -10.704 -7.819 11 HZ3 TRP 59 HZ3 TRP 59 -3.066 -13.745 -5.091 12 HH2 TRP 59 HH2 TRP 59 -4.038 -13.075 -7.231 13 H ILE 60 H ILE 60 -5.106 -9.576 0.118 14 HA ILE 60 HA ILE 60 -6.369 -7.625 -1.446 15 HB ILE 60 HB ILE 60 -8.516 -8.807 -1.587 16 1HG1 ILE 60 1HG1 ILE 60 -8.483 -10.473 0.135 17 2HG1 ILE 60 2HG1 ILE 60 -8.519 -11.306 -1.450 18 1HG2 ILE 60 1HG2 ILE 60 -6.867 -8.591 -3.411 19 2HG2 ILE 60 2HG2 ILE 60 -6.096 -10.151 -2.928 20 3HG2 ILE 60 3HG2 ILE 60 -7.800 -10.136 -3.521 21 1HD1 ILE 60 1HD1 ILE 60 -6.023 -11.695 -1.223 22 2HD1 ILE 60 2HD1 ILE 60 -6.095 -10.948 0.414 23 3HD1 ILE 60 3HD1 ILE 60 -6.986 -12.488 0.095 24 H ALA 61 H ALA 61 -7.154 -9.571 1.466 25 HA ALA 61 HA ALA 61 -9.000 -7.525 2.251 26 1HB ALA 61 1HB ALA 61 -7.936 -10.002 3.767 27 2HB ALA 61 3HB ALA 61 -9.468 -9.949 2.816 28 3HB ALA 61 2HB ALA 61 -9.301 -8.957 4.316 29 H ARG 62 H ARG 62 -5.797 -8.749 2.903 30 HA ARG 62 HA ARG 62 -5.200 -7.164 5.146 31 1HB ARG 62 1HB ARG 62 -2.767 -7.710 4.090 32 2HB ARG 62 2HB ARG 62 -3.706 -8.945 5.001 33 1HG ARG 62 1HG ARG 62 -4.464 -10.008 2.938 34 2HG ARG 62 2HG ARG 62 -3.832 -8.671 1.931 35 1HD ARG 62 1HD ARG 62 -2.174 -10.460 1.787 36 2HD ARG 62 2HD ARG 62 -1.464 -9.277 2.939 37 HE ARG 62 HE ARG 62 -3.119 -11.234 4.336 38 1HH1 ARG 62 1HH1 ARG 62 -2.009 -12.941 5.504 39 2HH1 ARG 62 2HH1 ARG 62 -0.335 -13.261 5.194 40 1HH2 ARG 62 1HH2 ARG 62 0.022 -10.726 2.721 41 2HH2 ARG 62 2HH2 ARG 62 0.835 -11.986 3.587 42 H ILE 63 H ILE 63 -5.099 -6.706 1.616 43 HA ILE 63 HA ILE 63 -3.328 -4.499 1.899 44 HB ILE 63 HB ILE 63 -3.776 -6.344 0.011 45 1HG1 ILE 63 1HG1 ILE 63 -2.440 -3.613 -0.244 46 2HG1 ILE 63 2HG1 ILE 63 -1.781 -5.089 0.547 47 1HG2 ILE 63 1HG2 ILE 63 -5.798 -5.318 -0.962 48 2HG2 ILE 63 2HG2 ILE 63 -4.880 -3.772 -1.219 49 3HG2 ILE 63 3HG2 ILE 63 -4.393 -5.284 -2.087 50 1HD1 ILE 63 1HD1 ILE 63 -2.223 -6.280 -1.755 51 2HD1 ILE 63 2HD1 ILE 63 -2.323 -4.633 -2.454 52 3HD1 ILE 63 3HD1 ILE 63 -0.791 -5.179 -1.673 53 H ASN 64 H ASN 64 -6.780 -5.033 1.593 54 HA ASN 64 HA ASN 64 -7.403 -2.340 0.960 55 1HB ASN 64 1HB ASN 64 -8.835 -4.642 0.960 56 2HB ASN 64 2HB ASN 64 -9.232 -4.132 2.630 57 1HD2 ASN 64 2HD2 ASN 64 -10.995 -2.893 2.856 58 2HD2 ASN 64 1HD2 ASN 64 -11.656 -1.802 1.684 59 H ALA 65 H ALA 65 -6.514 -4.206 3.659 60 HA ALA 65 HA ALA 65 -8.149 -2.802 5.546 61 1HB ALA 65 2HB ALA 65 -6.912 -4.064 7.367 62 2HB ALA 65 3HB ALA 65 -7.562 -5.155 6.099 63 3HB ALA 65 1HB ALA 65 -5.807 -4.724 6.105 64 H ALA 66 H ALA 66 -4.915 -2.193 4.341 65 HA ALA 66 HA ALA 66 -4.331 -0.641 6.747 66 1HB ALA 66 2HB ALA 66 -2.065 -0.379 5.758 67 2HB ALA 66 1HB ALA 66 -2.604 -1.312 4.306 68 3HB ALA 66 3HB ALA 66 -2.519 -2.114 5.922 69 H VAL 67 H VAL 67 -5.324 -0.383 3.356 70 HA VAL 67 HA VAL 67 -4.296 2.272 3.160 71 HB VAL 67 HB VAL 67 -5.179 2.244 0.870 72 1HG1 VAL 67 1HG1 VAL 67 -2.922 1.372 1.358 73 2HG1 VAL 67 2HG1 VAL 67 -3.598 -0.273 1.680 74 3HG1 VAL 67 3HG1 VAL 67 -3.716 0.438 0.032 75 1HG2 VAL 67 1HG2 VAL 67 -6.253 -0.535 1.636 76 2HG2 VAL 67 2HG2 VAL 67 -7.257 0.894 1.203 77 3HG2 VAL 67 3HG2 VAL 67 -6.191 0.134 -0.028 78 H ARG 68 H ARG 68 -7.175 0.776 4.277 79 HA ARG 68 HA ARG 68 -9.059 2.548 3.253 80 1HB ARG 68 1HB ARG 68 -10.602 1.550 4.963 81 2HB ARG 68 2HB ARG 68 -9.714 0.320 4.013 82 1HG ARG 68 1HG ARG 68 -8.050 0.099 5.872 83 2HG ARG 68 2HG ARG 68 -8.992 1.254 6.870 84 1HD ARG 68 1HD ARG 68 -10.125 -1.392 5.748 85 2HD ARG 68 2HD ARG 68 -9.444 -1.204 7.412 86 HE ARG 68 HE ARG 68 -12.000 -0.062 6.373 87 1HH1 ARG 68 1HH1 ARG 68 -13.399 0.869 7.986 88 2HH1 ARG 68 2HH1 ARG 68 -12.823 1.145 9.595 89 1HH2 ARG 68 1HH2 ARG 68 -9.553 -0.117 8.985 90 2HH2 ARG 68 2HH2 ARG 68 -10.610 0.577 10.170 91 H ALA 69 H ALA 69 -6.767 2.953 5.820 92 HA ALA 69 HA ALA 69 -8.323 4.563 7.508 93 1HB ALA 69 1HB ALA 69 -5.275 4.519 7.027 94 2HB ALA 69 2HB ALA 69 -6.093 5.339 8.410 95 3HB ALA 69 3HB ALA 69 -6.149 3.540 8.262 96 H TYR 70 H TYR 70 -6.246 5.159 4.652 97 HA TYR 70 HA TYR 70 -6.165 7.942 5.136 98 1HB TYR 70 1HB TYR 70 -5.452 6.450 2.536 99 2HB TYR 70 2HB TYR 70 -4.803 8.057 3.092 100 HD1 TYR 70 HD1 TYR 70 -3.871 7.865 5.663 101 HD2 TYR 70 HD2 TYR 70 -4.096 4.678 2.833 102 HE1 TYR 70 HE1 TYR 70 -2.266 6.569 6.989 103 HE2 TYR 70 HE2 TYR 70 -2.481 3.391 4.158 104 HH TYR 70 HH TYR 70 -1.158 4.660 7.217 105 H GLY 71 H GLY 71 -8.016 5.729 3.015 106 1HA GLY 71 2HA GLY 71 -9.367 8.073 1.869 107 2HA GLY 71 1HA GLY 71 -10.241 6.611 2.508 108 H LEU 72 H LEU 72 -7.209 5.732 1.427 109 HA LEU 72 HA LEU 72 -7.845 5.315 -1.343 110 1HB LEU 72 1HB LEU 72 -5.761 4.078 0.537 111 2HB LEU 72 2HB LEU 72 -5.808 3.810 -1.245 112 HG LEU 72 HG LEU 72 -5.371 6.506 0.195 113 1HD1 LEU 72 1HD1 LEU 72 -3.456 4.939 0.513 114 2HD1 LEU 72 2HD1 LEU 72 -3.359 4.704 -1.274 115 3HD1 LEU 72 3HD1 LEU 72 -3.011 6.324 -0.559 116 1HD2 LEU 72 1HD2 LEU 72 -6.460 6.789 -2.031 117 2HD2 LEU 72 2HD2 LEU 72 -4.747 7.360 -2.068 118 3HD2 LEU 72 3HD2 LEU 72 -5.196 5.759 -2.785 119 H ASN 73 H ASN 73 -8.457 3.490 -2.293 120 HA ASN 73 HA ASN 73 -9.781 1.706 -0.449 121 1HB ASN 73 1HB ASN 73 -11.736 1.578 -1.968 122 2HB ASN 73 2HB ASN 73 -11.425 3.288 -1.506 123 1HD2 ASN 73 2HD2 ASN 73 -12.259 1.326 -4.022 124 2HD2 ASN 73 1HD2 ASN 73 -11.665 2.234 -5.373 125 H TYR 74 H TYR 74 -7.184 1.572 -1.871 126 HA TYR 74 HA TYR 74 -5.936 -0.031 -2.587 127 1HB TYR 74 1HB TYR 74 -7.224 -1.891 -1.698 128 2HB TYR 74 2HB TYR 74 -8.391 -1.794 -3.070 129 HD1 TYR 74 HD1 TYR 74 -8.266 -3.528 -4.410 130 HD2 TYR 74 HD2 TYR 74 -4.613 -2.041 -2.795 131 HE1 TYR 74 HE1 TYR 74 -7.010 -5.117 -5.782 132 HE2 TYR 74 HE2 TYR 74 -3.359 -3.571 -4.231 133 HH TYR 74 HH TYR 74 -5.016 -5.866 -6.397 134 H SER 75 H SER 75 -8.551 1.371 -4.429 135 HA SER 75 HA SER 75 -7.472 0.461 -6.944 136 1HB SER 75 1HB SER 75 -9.971 0.783 -6.680 137 2HB SER 75 2HB SER 75 -9.675 2.541 -6.380 138 HG SER 75 HG SER 75 -10.193 2.062 -8.534 139 H THR 76 H THR 76 -7.616 3.476 -4.981 140 HA THR 76 HA THR 76 -6.296 4.922 -7.090 141 HB THR 76 HB THR 76 -6.271 6.708 -5.149 142 HG1 THR 76 HG1 THR 76 -6.777 5.289 -3.516 143 1HG2 THR 76 1HG2 THR 76 -8.888 5.588 -6.388 144 2HG2 THR 76 2HG2 THR 76 -8.663 7.246 -5.717 145 3HG2 THR 76 3HG2 THR 76 -7.754 6.740 -7.193 146 H PHE 77 H PHE 77 -5.642 3.135 -4.179 147 HA PHE 77 HA PHE 77 -3.034 3.958 -3.662 148 1HB PHE 77 1HB PHE 77 -4.468 2.301 -2.269 149 2HB PHE 77 2HB PHE 77 -4.233 1.101 -3.568 150 HD1 PHE 77 HD1 PHE 77 -3.005 -0.538 -2.764 151 HD2 PHE 77 HD2 PHE 77 -1.718 3.443 -1.924 152 HE1 PHE 77 HE1 PHE 77 -1.031 -1.418 -1.633 153 HE2 PHE 77 HE2 PHE 77 0.272 2.562 -0.816 154 HZ PHE 77 HZ PHE 77 0.627 0.130 -0.648 155 H ILE 78 H ILE 78 -4.564 1.544 -5.742 156 HA ILE 78 HA ILE 78 -2.454 0.207 -6.674 157 HB ILE 78 HB ILE 78 -5.211 0.346 -7.296 158 1HG1 ILE 78 1HG1 ILE 78 -3.053 -1.660 -8.119 159 2HG1 ILE 78 2HG1 ILE 78 -3.745 -1.532 -6.464 160 1HG2 ILE 78 1HG2 ILE 78 -4.708 1.453 -9.475 161 2HG2 ILE 78 2HG2 ILE 78 -3.533 0.130 -9.878 162 3HG2 ILE 78 3HG2 ILE 78 -5.285 -0.211 -9.695 163 1HD1 ILE 78 1HD1 ILE 78 -6.030 -2.060 -7.373 164 2HD1 ILE 78 2HD1 ILE 78 -5.330 -2.248 -9.028 165 3HD1 ILE 78 3HD1 ILE 78 -4.845 -3.375 -7.720 166 H ASN 79 H ASN 79 -3.808 3.289 -7.846 167 HA ASN 79 HA ASN 79 -2.283 3.189 -10.235 168 1HB ASN 79 1HB ASN 79 -3.027 5.298 -10.856 169 2HB ASN 79 2HB ASN 79 -4.451 4.469 -10.082 170 1HD2 ASN 79 2HD2 ASN 79 -2.063 7.117 -9.950 171 2HD2 ASN 79 1HD2 ASN 79 -2.942 8.125 -8.848 172 H GLY 80 H GLY 80 -2.204 4.987 -7.338 173 1HA GLY 80 2HA GLY 80 -0.546 6.201 -6.257 174 2HA GLY 80 1HA GLY 80 0.082 6.476 -7.904 175 H LEU 81 H LEU 81 -0.062 3.147 -6.978 176 HA LEU 81 HA LEU 81 2.523 2.814 -5.910 177 1HB LEU 81 1HB LEU 81 1.023 1.082 -7.949 178 2HB LEU 81 2HB LEU 81 2.592 0.703 -7.480 179 HG LEU 81 HG LEU 81 2.319 0.265 -5.254 180 1HD1 LEU 81 1HD1 LEU 81 0.511 1.888 -4.572 181 2HD1 LEU 81 2HD1 LEU 81 -0.692 0.775 -5.360 182 3HD1 LEU 81 3HD1 LEU 81 0.286 0.206 -3.969 183 1HD2 LEU 81 1HD2 LEU 81 1.819 -1.550 -6.883 184 2HD2 LEU 81 2HD2 LEU 81 0.900 -1.736 -5.345 185 3HD2 LEU 81 3HD2 LEU 81 0.065 -1.132 -6.826 186 H LYS 82 H LYS 82 1.336 2.978 -9.306 187 HA LYS 82 HA LYS 82 3.829 2.350 -10.407 188 1HB LYS 82 1HB LYS 82 1.606 2.001 -11.546 189 2HB LYS 82 2HB LYS 82 1.406 3.784 -11.651 190 1HG LYS 82 1HG LYS 82 3.366 3.949 -13.161 191 2HG LYS 82 2HG LYS 82 3.696 2.189 -12.956 192 1HD LYS 82 1HD LYS 82 1.531 1.638 -14.047 193 2HD LYS 82 2HD LYS 82 1.109 3.385 -14.138 194 1HE LYS 82 1HE LYS 82 1.923 2.546 -16.349 195 2HE LYS 82 2HE LYS 82 3.062 3.785 -15.675 196 1HZ LYS 82 1HZ LYS 82 3.385 0.832 -15.513 197 2HZ LYS 82 2HZ LYS 82 4.207 1.886 -16.562 198 3HZ LYS 82 3HZ LYS 82 4.451 1.995 -14.885 199 H LYS 83 H LYS 83 2.164 5.325 -9.486 200 HA LYS 83 HA LYS 83 3.802 7.110 -10.860 201 1HB LYS 83 1HB LYS 83 2.233 7.415 -8.222 202 2HB LYS 83 2HB LYS 83 2.951 8.783 -9.151 203 1HG LYS 83 1HG LYS 83 0.740 6.869 -10.127 204 2HG LYS 83 2HG LYS 83 0.490 8.516 -9.464 205 1HD LYS 83 1HD LYS 83 1.851 9.474 -11.353 206 2HD LYS 83 2HD LYS 83 1.983 7.827 -12.072 207 1HE LYS 83 1HE LYS 83 -0.662 9.345 -11.535 208 2HE LYS 83 2HE LYS 83 0.139 9.132 -13.148 209 1HZ LYS 83 1HZ LYS 83 -0.858 6.957 -11.381 210 2HZ LYS 83 2HZ LYS 83 -1.612 7.545 -12.784 211 3HZ LYS 83 3HZ LYS 83 -0.112 6.757 -12.894 212 H ALA 84 H ALA 84 4.047 5.515 -7.651 213 HA ALA 84 HA ALA 84 6.250 7.126 -6.864 214 1HB ALA 84 3HB ALA 84 4.795 6.172 -5.117 215 2HB ALA 84 1HB ALA 84 5.118 4.512 -5.728 216 3HB ALA 84 2HB ALA 84 6.447 5.469 -4.963 217 H GLY 85 H GLY 85 5.853 3.674 -7.757 218 1HA GLY 85 2HA GLY 85 8.730 3.559 -8.285 219 2HA GLY 85 1HA GLY 85 7.450 2.732 -9.270 220 H ILE 86 H ILE 86 5.793 2.112 -6.937 221 HA ILE 86 HA ILE 86 7.352 0.373 -5.310 222 HB ILE 86 HB ILE 86 4.482 1.286 -5.370 223 1HG1 ILE 86 1HG1 ILE 86 6.162 2.956 -4.609 224 2HG1 ILE 86 2HG1 ILE 86 5.096 2.364 -3.313 225 1HG2 ILE 86 1HG2 ILE 86 5.871 -0.788 -3.545 226 2HG2 ILE 86 2HG2 ILE 86 4.334 0.062 -3.134 227 3HG2 ILE 86 3HG2 ILE 86 4.395 -1.013 -4.564 228 1HD1 ILE 86 1HD1 ILE 86 6.944 0.893 -2.434 229 2HD1 ILE 86 2HD1 ILE 86 8.044 1.571 -3.695 230 3HD1 ILE 86 3HD1 ILE 86 7.352 2.641 -2.430 231 H GLU 87 H GLU 87 4.225 0.153 -7.109 232 HA GLU 87 HA GLU 87 3.353 -1.255 -8.494 233 1HB GLU 87 1HB GLU 87 6.191 -1.862 -9.446 234 2HB GLU 87 2HB GLU 87 4.673 -2.282 -10.313 235 1HG GLU 87 1HG GLU 87 4.084 0.129 -10.517 236 2HG GLU 87 2HG GLU 87 5.614 0.593 -9.671 237 H LEU 88 H LEU 88 3.893 -2.108 -5.873 238 HA LEU 88 HA LEU 88 4.508 -4.961 -6.161 239 1HB LEU 88 1HB LEU 88 5.781 -2.728 -4.791 240 2HB LEU 88 2HB LEU 88 5.027 -3.779 -3.531 241 HG LEU 88 HG LEU 88 6.243 -5.759 -4.657 242 1HD1 LEU 88 1HD1 LEU 88 6.810 -4.674 -6.839 243 2HD1 LEU 88 2HD1 LEU 88 7.926 -3.549 -5.973 244 3HD1 LEU 88 3HD1 LEU 88 8.262 -5.317 -5.989 245 1HD2 LEU 88 1HD2 LEU 88 6.948 -4.766 -2.485 246 2HD2 LEU 88 2HD2 LEU 88 8.375 -5.306 -3.450 247 3HD2 LEU 88 3HD2 LEU 88 7.959 -3.551 -3.358 248 H ASP 89 H ASP 89 2.907 -6.325 -5.173 249 HA ASP 89 HA ASP 89 1.145 -5.104 -3.212 250 1HB ASP 89 1HB ASP 89 0.067 -6.350 -5.830 251 2HB ASP 89 2HB ASP 89 -0.890 -6.142 -4.327 252 H ARG 90 H ARG 90 1.930 -7.962 -5.209 253 HA ARG 90 HA ARG 90 -0.177 -9.192 -4.159 254 1HB ARG 90 1HB ARG 90 1.004 -9.412 -6.436 255 2HB ARG 90 2HB ARG 90 2.210 -10.466 -5.647 256 1HG ARG 90 1HG ARG 90 0.193 -12.051 -5.085 257 2HG ARG 90 2HG ARG 90 -0.758 -11.016 -6.210 258 1HD ARG 90 1HD ARG 90 0.884 -11.543 -8.060 259 2HD ARG 90 2HD ARG 90 1.853 -12.526 -6.897 260 HE ARG 90 HE ARG 90 0.131 -14.177 -6.811 261 1HH1 ARG 90 1HH1 ARG 90 -1.506 -15.361 -7.962 262 2HH1 ARG 90 2HH1 ARG 90 -2.392 -14.607 -9.246 263 1HH2 ARG 90 1HH2 ARG 90 -0.727 -11.477 -8.995 264 2HH2 ARG 90 2HH2 ARG 90 -1.946 -12.376 -9.839 265 H LYS 91 H LYS 91 0.414 -9.226 -1.751 266 HA LYS 91 HA LYS 91 0.895 -10.017 0.106 267 1HB LYS 91 1HB LYS 91 1.034 -12.842 -1.089 268 2HB LYS 91 2HB LYS 91 0.964 -12.416 0.662 269 1HG LYS 91 1HG LYS 91 -1.164 -11.031 0.001 270 2HG LYS 91 2HG LYS 91 -1.206 -12.061 -1.470 271 1HD LYS 91 1HD LYS 91 -1.424 -14.091 -0.003 272 2HD LYS 91 2HD LYS 91 -1.246 -13.051 1.451 273 1HE LYS 91 1HE LYS 91 -3.430 -11.799 0.708 274 2HE LYS 91 2HE LYS 91 -3.618 -13.074 -0.530 275 1HZ LYS 91 1HZ LYS 91 -3.582 -14.730 1.223 276 2HZ LYS 91 2HZ LYS 91 -3.395 -13.520 2.402 277 3HZ LYS 91 3HZ LYS 91 -4.810 -13.583 1.463 278 H ILE 92 H ILE 92 2.420 -8.808 -1.168 279 HA ILE 92 HA ILE 92 5.185 -9.686 -0.692 280 HB ILE 92 HB ILE 92 3.498 -8.649 -2.955 281 1HG1 ILE 92 1HG1 ILE 92 4.318 -11.043 -2.753 282 2HG1 ILE 92 2HG1 ILE 92 4.597 -10.245 -4.331 283 1HG2 ILE 92 1HG2 ILE 92 6.479 -7.842 -2.778 284 2HG2 ILE 92 2HG2 ILE 92 5.503 -7.835 -4.290 285 3HG2 ILE 92 3HG2 ILE 92 5.032 -6.767 -2.930 286 1HD1 ILE 92 1HD1 ILE 92 6.733 -10.630 -2.115 287 2HD1 ILE 92 2HD1 ILE 92 6.549 -11.660 -3.581 288 3HD1 ILE 92 3HD1 ILE 92 7.023 -9.934 -3.756 289 H LEU 93 H LEU 93 2.608 -7.503 -0.121 290 HA LEU 93 HA LEU 93 4.442 -5.443 0.839 291 1HB LEU 93 1HB LEU 93 4.268 -4.669 -1.378 292 2HB LEU 93 2HB LEU 93 2.652 -5.334 -1.482 293 HG LEU 93 HG LEU 93 2.696 -3.150 0.516 294 1HD1 LEU 93 1HD1 LEU 93 3.569 -2.400 -2.312 295 2HD1 LEU 93 2HD1 LEU 93 2.981 -1.278 -1.031 296 3HD1 LEU 93 3HD1 LEU 93 4.500 -2.229 -0.778 297 1HD2 LEU 93 1HD2 LEU 93 0.587 -4.080 -0.522 298 2HD2 LEU 93 2HD2 LEU 93 0.767 -2.301 -0.708 299 3HD2 LEU 93 3HD2 LEU 93 1.091 -3.382 -2.107 300 H ALA 94 H ALA 94 1.301 -6.460 -0.281 301 HA ALA 94 HA ALA 94 -0.312 -5.782 1.833 302 1HB ALA 94 1HB ALA 94 -0.674 -7.532 -0.259 303 2HB ALA 94 2HB ALA 94 -0.270 -8.702 1.096 304 3HB ALA 94 3HB ALA 94 -1.689 -7.623 1.255 305 H ASP 95 H ASP 95 2.323 -8.214 1.666 306 HA ASP 95 HA ASP 95 1.674 -9.451 4.058 307 1HB ASP 95 1HB ASP 95 3.716 -10.419 4.056 308 2HB ASP 95 2HB ASP 95 3.421 -10.249 2.299 309 H MET 96 H MET 96 3.830 -6.867 3.157 310 HA MET 96 HA MET 96 4.587 -6.198 5.746 311 1HB MET 96 1HB MET 96 6.125 -5.154 4.466 312 2HB MET 96 2HB MET 96 5.032 -5.265 3.064 313 1HG MET 96 1HG MET 96 3.941 -3.074 4.310 314 2HG MET 96 2HG MET 96 5.662 -2.938 4.715 315 1HE MET 96 1HE MET 96 7.580 -2.923 2.883 316 2HE MET 96 2HE MET 96 6.983 -4.386 2.014 317 3HE MET 96 3HE MET 96 7.315 -2.875 1.105 318 H ALA 97 H ALA 97 1.552 -5.527 4.138 319 HA ALA 97 HA ALA 97 0.934 -3.148 5.462 320 1HB ALA 97 1HB ALA 97 -0.386 -4.010 3.486 321 2HB ALA 97 2HB ALA 97 -1.014 -5.337 4.536 322 3HB ALA 97 3HB ALA 97 -1.434 -3.634 4.904 323 H VAL 98 H VAL 98 0.624 -6.583 6.365 324 HA VAL 98 HA VAL 98 -0.786 -5.807 8.786 325 HB VAL 98 HB VAL 98 0.074 -8.638 8.215 326 1HG1 VAL 98 1HG1 VAL 98 -1.107 -7.990 10.333 327 2HG1 VAL 98 2HG1 VAL 98 -2.472 -7.312 9.367 328 3HG1 VAL 98 3HG1 VAL 98 -2.128 -9.083 9.328 329 1HG2 VAL 98 1HG2 VAL 98 -2.147 -7.184 6.652 330 2HG2 VAL 98 2HG2 VAL 98 -0.697 -8.054 5.994 331 3HG2 VAL 98 3HG2 VAL 98 -1.997 -8.974 6.803 332 H ARG 99 H ARG 99 2.133 -7.413 7.519 333 HA ARG 99 HA ARG 99 2.933 -8.237 10.092 334 1HB ARG 99 1HB ARG 99 4.254 -8.556 7.328 335 2HB ARG 99 2HB ARG 99 4.925 -9.185 8.862 336 1HG ARG 99 1HG ARG 99 3.932 -11.068 8.162 337 2HG ARG 99 2HG ARG 99 2.604 -10.395 9.157 338 1HD ARG 99 1HD ARG 99 1.369 -9.774 6.947 339 2HD ARG 99 2HD ARG 99 2.790 -10.341 6.044 340 HE ARG 99 HE ARG 99 2.256 -12.561 6.520 341 1HH1 ARG 99 1HH1 ARG 99 0.901 -14.253 7.365 342 2HH1 ARG 99 2HH1 ARG 99 -0.382 -13.881 8.468 343 1HH2 ARG 99 1HH2 ARG 99 0.235 -10.382 8.513 344 2HH2 ARG 99 2HH2 ARG 99 -0.763 -11.656 9.128 345 H ASP 100 H ASP 100 4.058 -5.701 7.766 346 HA ASP 100 HA ASP 100 5.954 -4.854 9.795 347 1HB ASP 100 1HB ASP 100 6.884 -5.972 7.609 348 2HB ASP 100 2HB ASP 100 6.404 -4.533 6.749 349 HA PRO 101 HA PRO 101 2.964 -1.775 8.208 350 1HB PRO 101 1HB PRO 101 2.087 -0.639 10.639 351 2HB PRO 101 2HB PRO 101 1.384 -2.137 9.897 352 1HG PRO 101 1HG PRO 101 3.518 -1.926 12.078 353 2HG PRO 101 2HG PRO 101 2.078 -3.031 12.014 354 1HD PRO 101 1HD PRO 101 4.650 -3.829 11.244 355 2HD PRO 101 2HD PRO 101 3.202 -4.456 10.331 356 H GLN 102 H GLN 102 5.897 -1.502 9.929 357 HA GLN 102 HA GLN 102 5.990 1.349 10.031 358 1HB GLN 102 1HB GLN 102 8.240 -0.756 10.032 359 2HB GLN 102 2HB GLN 102 8.440 0.990 10.419 360 1HG GLN 102 1HG GLN 102 6.958 0.710 12.430 361 2HG GLN 102 2HG GLN 102 6.746 -1.043 12.034 362 1HE2 GLN 102 2HE2 GLN 102 8.151 -2.453 12.896 363 2HE2 GLN 102 1HE2 GLN 102 9.724 -2.084 13.521 364 H ALA 103 H ALA 103 7.001 -1.348 7.875 365 HA ALA 103 HA ALA 103 8.291 0.429 6.051 366 1HB ALA 103 1HB ALA 103 7.466 -2.519 5.755 367 2HB ALA 103 3HB ALA 103 9.099 -1.922 6.219 368 3HB ALA 103 2HB ALA 103 8.459 -1.592 4.566 369 H PHE 104 H PHE 104 5.142 -1.360 6.302 370 HA PHE 104 HA PHE 104 4.104 -0.435 3.964 371 1HB PHE 104 1HB PHE 104 2.832 -1.850 5.762 372 2HB PHE 104 2HB PHE 104 2.372 -0.252 6.486 373 HD1 PHE 104 HD1 PHE 104 2.460 -2.129 3.238 374 HD2 PHE 104 HD2 PHE 104 0.540 0.892 5.555 375 HE1 PHE 104 HE1 PHE 104 0.777 -1.926 1.525 376 HE2 PHE 104 HE2 PHE 104 -1.183 1.098 3.811 377 HZ PHE 104 HZ PHE 104 -1.079 -0.306 1.786 378 H GLU 105 H GLU 105 4.441 1.466 7.014 379 HA GLU 105 HA GLU 105 2.892 3.591 6.143 380 1HB GLU 105 1HB GLU 105 3.722 3.038 8.503 381 2HB GLU 105 2HB GLU 105 5.278 3.805 8.061 382 1HG GLU 105 1HG GLU 105 2.532 5.226 7.856 383 2HG GLU 105 2HG GLU 105 3.485 5.165 9.388 384 H GLN 106 H GLN 106 6.285 2.707 5.486 385 HA GLN 106 HA GLN 106 7.023 5.276 4.554 386 1HB GLN 106 1HB GLN 106 8.138 2.467 3.970 387 2HB GLN 106 2HB GLN 106 8.839 3.957 3.303 388 1HG GLN 106 1HG GLN 106 8.588 3.228 6.310 389 2HG GLN 106 2HG GLN 106 10.101 3.171 5.326 390 1HE2 GLN 106 1HE2 GLN 106 10.554 5.334 4.072 391 2HE2 GLN 106 2HE2 GLN 106 10.378 6.793 4.988 392 H VAL 107 H VAL 107 5.685 2.343 3.057 393 HA VAL 107 HA VAL 107 6.010 3.228 0.396 394 HB VAL 107 HB VAL 107 4.019 1.251 1.617 395 1HG1 VAL 107 1HG1 VAL 107 4.463 2.155 -1.299 396 2HG1 VAL 107 2HG1 VAL 107 3.708 0.587 -0.870 397 3HG1 VAL 107 3HG1 VAL 107 2.903 2.109 -0.387 398 1HG2 VAL 107 1HG2 VAL 107 6.589 0.965 -0.085 399 2HG2 VAL 107 2HG2 VAL 107 6.417 0.541 1.663 400 3HG2 VAL 107 3HG2 VAL 107 5.513 -0.391 0.408 401 H VAL 108 H VAL 108 3.425 3.527 2.824 402 HA VAL 108 HA VAL 108 1.498 4.707 1.232 403 HB VAL 108 HB VAL 108 2.199 4.579 4.171 404 1HG1 VAL 108 1HG1 VAL 108 -0.068 6.315 3.002 405 2HG1 VAL 108 2HG1 VAL 108 0.071 5.779 4.721 406 3HG1 VAL 108 3HG1 VAL 108 1.315 6.863 4.047 407 1HG2 VAL 108 1HG2 VAL 108 1.185 2.675 2.897 408 2HG2 VAL 108 2HG2 VAL 108 0.084 3.286 4.191 409 3HG2 VAL 108 3HG2 VAL 108 -0.222 3.714 2.461 410 H ASN 109 H ASN 109 4.232 6.053 3.064 411 HA ASN 109 HA ASN 109 3.439 8.711 2.820 412 1HB ASN 109 1HB ASN 109 5.233 7.971 4.429 413 2HB ASN 109 2HB ASN 109 6.304 7.589 3.026 414 1HD2 ASN 109 2HD2 ASN 109 4.214 10.297 4.287 415 2HD2 ASN 109 1HD2 ASN 109 5.310 11.579 3.895 416 H LYS 110 H LYS 110 5.511 6.605 0.752 417 HA LYS 110 HA LYS 110 6.297 8.664 -0.969 418 1HB LYS 110 1HB LYS 110 6.034 5.639 -1.417 419 2HB LYS 110 2HB LYS 110 6.737 6.769 -2.626 420 1HG LYS 110 1HG LYS 110 8.551 7.392 -1.078 421 2HG LYS 110 2HG LYS 110 7.809 6.427 0.242 422 1HD LYS 110 1HD LYS 110 9.683 5.189 -0.684 423 2HD LYS 110 2HD LYS 110 8.150 4.329 -1.067 424 1HE LYS 110 1HE LYS 110 8.237 5.200 -3.424 425 2HE LYS 110 2HE LYS 110 9.738 6.133 -3.022 426 1HZ LYS 110 1HZ LYS 110 10.817 4.051 -2.504 427 2HZ LYS 110 2HZ LYS 110 9.407 3.182 -2.879 428 3HZ LYS 110 3HZ LYS 110 10.217 4.053 -4.092 429 H VAL 111 H VAL 111 3.506 6.437 -0.983 430 HA VAL 111 HA VAL 111 2.701 7.298 -3.634 431 HB VAL 111 HB VAL 111 1.712 5.273 -1.507 432 1HG1 VAL 111 1HG1 VAL 111 0.528 5.807 -4.300 433 2HG1 VAL 111 2HG1 VAL 111 0.252 4.285 -3.374 434 3HG1 VAL 111 3HG1 VAL 111 -0.325 5.852 -2.708 435 1HG2 VAL 111 1HG2 VAL 111 3.869 4.668 -2.664 436 2HG2 VAL 111 2HG2 VAL 111 2.538 3.548 -3.121 437 3HG2 VAL 111 3HG2 VAL 111 3.052 4.843 -4.259 438 H LYS 112 H LYS 112 2.260 8.494 -0.482 439 HA LYS 112 HA LYS 112 -0.348 9.440 -1.189 440 1HB LYS 112 1HB LYS 112 0.265 9.274 1.218 441 2HB LYS 112 2HB LYS 112 1.663 10.372 0.954 442 1HG LYS 112 1HG LYS 112 -0.345 11.470 2.051 443 2HG LYS 112 2HG LYS 112 0.230 12.270 0.556 444 1HD LYS 112 1HD LYS 112 -2.178 12.259 0.507 445 2HD LYS 112 2HD LYS 112 -1.553 11.176 -0.781 446 1HE LYS 112 1HE LYS 112 -3.564 10.197 0.370 447 2HE LYS 112 2HE LYS 112 -2.108 9.161 0.646 448 1HZ LYS 112 1HZ LYS 112 -3.205 11.185 2.529 449 2HZ LYS 112 2HZ LYS 112 -3.375 9.499 2.641 450 3HZ LYS 112 3HZ LYS 112 -1.840 10.209 2.791 451 H GLU 113 H GLU 113 3.035 10.328 -1.472 452 HA GLU 113 HA GLU 113 2.479 13.033 -2.243 453 1HB GLU 113 1HB GLU 113 4.902 11.164 -2.116 454 2HB GLU 113 2HB GLU 113 4.974 12.841 -2.712 455 1HG GLU 113 1HG GLU 113 4.101 13.620 -0.445 456 2HG GLU 113 2HG GLU 113 3.932 11.903 0.053 457 H ALA 114 H ALA 114 2.799 10.052 -3.591 458 HA ALA 114 HA ALA 114 3.729 11.036 -6.218 459 1HB ALA 114 2HB ALA 114 3.142 8.113 -5.466 460 2HB ALA 114 1HB ALA 114 4.787 8.862 -5.394 461 3HB ALA 114 3HB ALA 114 3.933 8.709 -6.966 462 H LEU 115 H LEU 115 1.025 10.216 -4.328 463 HA LEU 115 HA LEU 115 -0.817 9.898 -6.610 464 1HB LEU 115 1HB LEU 115 -1.351 8.642 -4.563 465 2HB LEU 115 2HB LEU 115 -1.302 10.187 -3.631 466 HG LEU 115 HG LEU 115 -3.055 11.062 -5.094 467 1HD1 LEU 115 1HD1 LEU 115 -3.327 8.170 -6.160 468 2HD1 LEU 115 2HD1 LEU 115 -4.549 9.473 -6.408 469 3HD1 LEU 115 3HD1 LEU 115 -2.907 9.638 -7.122 470 1HD2 LEU 115 1HD2 LEU 115 -3.552 10.051 -2.833 471 2HD2 LEU 115 2HD2 LEU 115 -4.943 9.804 -3.958 472 3HD2 LEU 115 3HD2 LEU 115 -3.802 8.448 -3.617 473 H GLN 116 H GLN 116 0.781 12.013 -4.494 474 HA GLN 116 HA GLN 116 0.977 14.235 -4.385 475 1HB GLN 116 1HB GLN 116 -0.430 14.458 -7.096 476 2HB GLN 116 2HB GLN 116 0.527 15.739 -6.282 477 1HG GLN 116 1HG GLN 116 2.608 14.441 -6.552 478 2HG GLN 116 2HG GLN 116 1.689 13.047 -7.253 479 1HE2 GLN 116 2HE2 GLN 116 0.713 13.216 -9.309 480 2HE2 GLN 116 1HE2 GLN 116 1.137 14.454 -10.444 481 H VAL 117 H VAL 117 -1.174 13.016 -3.109 482 HA VAL 117 HA VAL 117 -3.241 15.092 -3.200 483 HB VAL 117 HB VAL 117 -3.139 12.187 -2.358 484 1HG1 VAL 117 1HG1 VAL 117 -5.170 14.267 -1.309 485 2HG1 VAL 117 2HG1 VAL 117 -5.388 12.477 -1.236 486 3HG1 VAL 117 3HG1 VAL 117 -4.046 13.248 -0.323 487 1HG2 VAL 117 1HG2 VAL 117 -3.879 12.963 -4.659 488 2HG2 VAL 117 2HG2 VAL 117 -5.230 12.179 -3.749 489 3HG2 VAL 117 3HG2 VAL 117 -5.153 13.976 -3.893 490 H GLN 118 H GLN 118 -0.319 14.088 -2.041 491 HA GLN 118 HA GLN 118 -0.252 14.782 0.598 492 1HB GLN 118 1HB GLN 118 2.023 15.679 0.330 493 2HB GLN 118 2HB GLN 118 1.829 14.150 -0.587 494 1HG GLN 118 1HG GLN 118 1.602 15.426 -2.722 495 2HG GLN 118 2HG GLN 118 1.681 16.994 -1.837 496 1HE2 GLN 118 2HE2 GLN 118 3.465 15.385 -3.873 497 2HE2 GLN 118 1HE2 GLN 118 5.060 15.577 -3.228 No H/Q in entry = 497 Start of MODEL 11 1 H1 TRP 59 1H TRP 59 -4.036 -12.082 0.596 2 H2 TRP 59 2H TRP 59 -2.970 -12.760 -0.540 3 H3 TRP 59 3H TRP 59 -2.603 -12.831 1.117 4 HA TRP 59 HA TRP 59 -2.418 -10.475 1.217 5 1HB TRP 59 1HB TRP 59 -0.653 -11.626 -1.036 6 2HB TRP 59 2HB TRP 59 -0.301 -10.235 -0.004 7 HD1 TRP 59 HD1 TRP 59 0.331 -10.807 2.649 8 HE1 TRP 59 HE1 TRP 59 1.261 -12.955 3.691 9 HE3 TRP 59 HE3 TRP 59 -0.820 -14.012 -1.105 10 HZ2 TRP 59 HZ2 TRP 59 1.447 -15.692 2.991 11 HZ3 TRP 59 HZ3 TRP 59 -0.264 -16.387 -0.855 12 HH2 TRP 59 HH2 TRP 59 0.851 -17.216 1.157 13 H ILE 60 H ILE 60 -4.442 -9.508 0.577 14 HA ILE 60 HA ILE 60 -4.357 -8.297 -1.959 15 HB ILE 60 HB ILE 60 -6.952 -9.321 -2.083 16 1HG1 ILE 60 1HG1 ILE 60 -6.511 -11.710 -2.657 17 2HG1 ILE 60 2HG1 ILE 60 -4.868 -11.591 -1.946 18 1HG2 ILE 60 1HG2 ILE 60 -5.545 -8.263 -3.813 19 2HG2 ILE 60 2HG2 ILE 60 -4.447 -9.700 -3.826 20 3HG2 ILE 60 3HG2 ILE 60 -6.165 -9.871 -4.357 21 1HD1 ILE 60 1HD1 ILE 60 -7.514 -11.096 -0.450 22 2HD1 ILE 60 2HD1 ILE 60 -6.480 -12.585 -0.310 23 3HD1 ILE 60 3HD1 ILE 60 -5.861 -10.978 0.250 24 H ALA 61 H ALA 61 -6.711 -9.328 0.534 25 HA ALA 61 HA ALA 61 -8.007 -6.749 0.322 26 1HB ALA 61 1HB ALA 61 -8.768 -9.324 1.838 27 2HB ALA 61 3HB ALA 61 -9.446 -8.826 0.242 28 3HB ALA 61 2HB ALA 61 -9.796 -7.846 1.716 29 H ARG 62 H ARG 62 -5.512 -8.257 1.977 30 HA ARG 62 HA ARG 62 -6.045 -7.034 4.518 31 1HB ARG 62 1HB ARG 62 -3.306 -7.595 4.407 32 2HB ARG 62 2HB ARG 62 -4.591 -8.559 5.218 33 1HG ARG 62 1HG ARG 62 -4.806 -9.946 3.092 34 2HG ARG 62 2HG ARG 62 -3.550 -8.910 2.335 35 1HD ARG 62 1HD ARG 62 -2.515 -11.034 3.225 36 2HD ARG 62 2HD ARG 62 -1.907 -9.598 4.129 37 HE ARG 62 HE ARG 62 -3.126 -10.296 6.038 38 1HH1 ARG 62 1HH1 ARG 62 -4.302 -11.899 7.262 39 2HH1 ARG 62 2HH1 ARG 62 -5.008 -13.264 6.461 40 1HH2 ARG 62 1HH2 ARG 62 -3.917 -12.333 3.209 41 2HH2 ARG 62 2HH2 ARG 62 -4.786 -13.514 4.134 42 H ILE 63 H ILE 63 -4.668 -6.099 1.354 43 HA ILE 63 HA ILE 63 -3.105 -4.039 2.321 44 HB ILE 63 HB ILE 63 -4.474 -4.521 -0.395 45 1HG1 ILE 63 1HG1 ILE 63 -1.734 -5.520 0.507 46 2HG1 ILE 63 2HG1 ILE 63 -3.183 -6.577 0.469 47 1HG2 ILE 63 1HG2 ILE 63 -1.960 -3.091 0.616 48 2HG2 ILE 63 2HG2 ILE 63 -2.446 -3.209 -1.129 49 3HG2 ILE 63 3HG2 ILE 63 -3.476 -2.291 0.024 50 1HD1 ILE 63 1HD1 ILE 63 -3.447 -6.101 -2.011 51 2HD1 ILE 63 2HD1 ILE 63 -1.856 -5.267 -1.962 52 3HD1 ILE 63 3HD1 ILE 63 -1.959 -7.013 -1.565 53 H ASN 64 H ASN 64 -6.341 -4.705 0.940 54 HA ASN 64 HA ASN 64 -7.242 -2.094 0.798 55 1HB ASN 64 1HB ASN 64 -8.281 -4.532 0.113 56 2HB ASN 64 2HB ASN 64 -9.208 -4.249 1.630 57 1HD2 ASN 64 2HD2 ASN 64 -9.807 -1.574 1.661 58 2HD2 ASN 64 1HD2 ASN 64 -10.688 -1.094 0.251 59 H ALA 65 H ALA 65 -7.072 -4.490 3.412 60 HA ALA 65 HA ALA 65 -8.710 -3.084 5.206 61 1HB ALA 65 3HB ALA 65 -7.758 -4.581 6.973 62 2HB ALA 65 1HB ALA 65 -8.243 -5.537 5.522 63 3HB ALA 65 2HB ALA 65 -6.504 -5.143 5.808 64 H ALA 66 H ALA 66 -5.195 -2.937 4.378 65 HA ALA 66 HA ALA 66 -4.659 -1.563 6.821 66 1HB ALA 66 2HB ALA 66 -3.022 -1.660 4.228 67 2HB ALA 66 3HB ALA 66 -2.440 -1.066 5.830 68 3HB ALA 66 1HB ALA 66 -2.867 -2.805 5.618 69 H VAL 67 H VAL 67 -5.570 -0.576 3.477 70 HA VAL 67 HA VAL 67 -4.513 2.038 4.006 71 HB VAL 67 HB VAL 67 -4.985 2.524 1.669 72 1HG1 VAL 67 1HG1 VAL 67 -2.840 1.538 2.283 73 2HG1 VAL 67 2HG1 VAL 67 -3.510 -0.132 2.134 74 3HG1 VAL 67 3HG1 VAL 67 -3.391 0.918 0.678 75 1HG2 VAL 67 1HG2 VAL 67 -6.155 -0.344 1.608 76 2HG2 VAL 67 2HG2 VAL 67 -7.072 1.165 1.333 77 3HG2 VAL 67 3HG2 VAL 67 -5.797 0.668 0.172 78 H ARG 68 H ARG 68 -7.400 0.614 4.780 79 HA ARG 68 HA ARG 68 -9.148 2.479 3.559 80 1HB ARG 68 1HB ARG 68 -10.939 1.382 4.794 81 2HB ARG 68 2HB ARG 68 -9.822 0.145 4.137 82 1HG ARG 68 1HG ARG 68 -8.655 0.171 6.460 83 2HG ARG 68 2HG ARG 68 -10.071 1.112 7.048 84 1HD ARG 68 1HD ARG 68 -11.603 -0.763 6.325 85 2HD ARG 68 2HD ARG 68 -10.142 -1.661 5.707 86 HE ARG 68 HE ARG 68 -9.984 -0.799 8.549 87 1HH1 ARG 68 1HH1 ARG 68 -9.929 -2.534 10.130 88 2HH1 ARG 68 2HH1 ARG 68 -10.315 -4.152 9.655 89 1HH2 ARG 68 1HH2 ARG 68 -10.943 -3.354 6.247 90 2HH2 ARG 68 2HH2 ARG 68 -10.899 -4.625 7.424 91 H ALA 69 H ALA 69 -7.066 2.614 6.264 92 HA ALA 69 HA ALA 69 -8.613 4.310 7.911 93 1HB ALA 69 2HB ALA 69 -6.382 4.870 8.962 94 2HB ALA 69 1HB ALA 69 -5.556 3.992 7.616 95 3HB ALA 69 3HB ALA 69 -6.583 3.084 8.787 96 H TYR 70 H TYR 70 -6.467 4.674 5.077 97 HA TYR 70 HA TYR 70 -6.126 7.463 5.506 98 1HB TYR 70 1HB TYR 70 -5.637 5.845 2.927 99 2HB TYR 70 2HB TYR 70 -4.903 7.443 3.355 100 HD1 TYR 70 HD1 TYR 70 -3.925 4.411 2.765 101 HD2 TYR 70 HD2 TYR 70 -4.046 6.951 6.200 102 HE1 TYR 70 HE1 TYR 70 -2.101 3.134 3.784 103 HE2 TYR 70 HE2 TYR 70 -2.250 5.648 7.218 104 HH TYR 70 HH TYR 70 -0.860 3.923 7.033 105 H GLY 71 H GLY 71 -8.071 5.292 3.411 106 1HA GLY 71 2HA GLY 71 -9.555 7.645 2.474 107 2HA GLY 71 1HA GLY 71 -10.343 6.136 3.112 108 H LEU 72 H LEU 72 -7.399 5.360 1.757 109 HA LEU 72 HA LEU 72 -8.247 5.082 -0.994 110 1HB LEU 72 1HB LEU 72 -5.965 3.783 0.564 111 2HB LEU 72 2HB LEU 72 -6.149 3.750 -1.222 112 HG LEU 72 HG LEU 72 -5.747 6.291 0.488 113 1HD1 LEU 72 1HD1 LEU 72 -3.727 4.809 0.520 114 2HD1 LEU 72 2HD1 LEU 72 -3.727 4.799 -1.283 115 3HD1 LEU 72 3HD1 LEU 72 -3.432 6.338 -0.394 116 1HD2 LEU 72 1HD2 LEU 72 -6.981 6.665 -1.692 117 2HD2 LEU 72 2HD2 LEU 72 -5.348 7.437 -1.679 118 3HD2 LEU 72 3HD2 LEU 72 -5.616 5.881 -2.560 119 H ASN 73 H ASN 73 -8.511 3.113 -2.018 120 HA ASN 73 HA ASN 73 -9.600 1.141 -0.223 121 1HB ASN 73 1HB ASN 73 -11.515 0.702 -1.721 122 2HB ASN 73 2HB ASN 73 -11.515 2.429 -1.220 123 1HD2 ASN 73 2HD2 ASN 73 -10.263 3.969 -2.822 124 2HD2 ASN 73 1HD2 ASN 73 -10.559 3.700 -4.508 125 H TYR 74 H TYR 74 -7.003 1.373 -1.422 126 HA TYR 74 HA TYR 74 -5.495 0.039 -2.174 127 1HB TYR 74 1HB TYR 74 -6.178 -2.050 -1.466 128 2HB TYR 74 2HB TYR 74 -7.701 -2.018 -2.406 129 HD1 TYR 74 HD1 TYR 74 -4.316 -3.188 -2.389 130 HD2 TYR 74 HD2 TYR 74 -7.700 -2.349 -4.838 131 HE1 TYR 74 HE1 TYR 74 -3.397 -4.614 -4.140 132 HE2 TYR 74 HE2 TYR 74 -6.772 -3.781 -6.600 133 HH TYR 74 HH TYR 74 -5.092 -5.097 -7.237 134 H SER 75 H SER 75 -8.179 1.081 -4.119 135 HA SER 75 HA SER 75 -7.013 0.175 -6.569 136 1HB SER 75 1HB SER 75 -9.428 1.998 -6.041 137 2HB SER 75 2HB SER 75 -8.940 1.348 -7.658 138 HG SER 75 HG SER 75 -10.528 0.099 -6.626 139 H THR 76 H THR 76 -7.400 3.218 -4.732 140 HA THR 76 HA THR 76 -6.333 4.707 -6.933 141 HB THR 76 HB THR 76 -6.334 6.502 -4.970 142 HG1 THR 76 HG1 THR 76 -7.891 5.942 -3.486 143 1HG2 THR 76 1HG2 THR 76 -8.850 5.316 -6.355 144 2HG2 THR 76 2HG2 THR 76 -8.745 6.960 -5.618 145 3HG2 THR 76 3HG2 THR 76 -7.736 6.552 -7.058 146 H PHE 77 H PHE 77 -5.331 3.157 -3.996 147 HA PHE 77 HA PHE 77 -2.884 4.384 -3.584 148 1HB PHE 77 1HB PHE 77 -4.149 2.612 -2.111 149 2HB PHE 77 2HB PHE 77 -3.561 1.373 -3.262 150 HD1 PHE 77 HD1 PHE 77 -2.288 0.110 -1.934 151 HD2 PHE 77 HD2 PHE 77 -1.566 4.320 -1.904 152 HE1 PHE 77 HE1 PHE 77 -0.298 -0.229 -0.534 153 HE2 PHE 77 HE2 PHE 77 0.418 3.967 -0.542 154 HZ PHE 77 HZ PHE 77 1.072 1.700 0.154 155 H ILE 78 H ILE 78 -4.044 1.697 -5.533 156 HA ILE 78 HA ILE 78 -1.707 0.674 -6.476 157 HB ILE 78 HB ILE 78 -4.550 0.455 -6.906 158 1HG1 ILE 78 1HG1 ILE 78 -3.108 -1.273 -5.905 159 2HG1 ILE 78 2HG1 ILE 78 -4.118 -1.806 -7.293 160 1HG2 ILE 78 1HG2 ILE 78 -2.948 0.161 -9.526 161 2HG2 ILE 78 2HG2 ILE 78 -4.581 -0.516 -9.193 162 3HG2 ILE 78 3HG2 ILE 78 -4.360 1.251 -9.188 163 1HD1 ILE 78 1HD1 ILE 78 -1.090 -1.198 -7.450 164 2HD1 ILE 78 2HD1 ILE 78 -1.804 -2.836 -7.289 165 3HD1 ILE 78 3HD1 ILE 78 -2.110 -1.870 -8.778 166 H ASN 79 H ASN 79 -3.803 3.255 -7.864 167 HA ASN 79 HA ASN 79 -2.319 3.643 -10.115 168 1HB ASN 79 1HB ASN 79 -3.537 6.004 -8.710 169 2HB ASN 79 2HB ASN 79 -3.280 5.730 -10.422 170 1HD2 ASN 79 2HD2 ASN 79 -4.526 3.052 -10.560 171 2HD2 ASN 79 1HD2 ASN 79 -6.221 3.244 -10.263 172 H GLY 80 H GLY 80 -2.043 5.294 -7.032 173 1HA GLY 80 2HA GLY 80 -0.374 6.645 -6.220 174 2HA GLY 80 1HA GLY 80 -0.016 6.989 -7.937 175 H LEU 81 H LEU 81 0.249 3.650 -6.771 176 HA LEU 81 HA LEU 81 3.031 3.776 -6.245 177 1HB LEU 81 1HB LEU 81 2.033 1.359 -7.714 178 2HB LEU 81 2HB LEU 81 3.214 1.444 -6.375 179 HG LEU 81 HG LEU 81 0.200 1.868 -6.144 180 1HD1 LEU 81 1HD1 LEU 81 1.023 -0.406 -7.034 181 2HD1 LEU 81 2HD1 LEU 81 1.714 -0.646 -5.376 182 3HD1 LEU 81 3HD1 LEU 81 -0.058 -0.421 -5.609 183 1HD2 LEU 81 1HD2 LEU 81 1.464 2.854 -4.225 184 2HD2 LEU 81 2HD2 LEU 81 0.497 1.432 -3.700 185 3HD2 LEU 81 3HD2 LEU 81 2.282 1.276 -3.932 186 H LYS 82 H LYS 82 1.069 3.401 -9.201 187 HA LYS 82 HA LYS 82 3.252 2.484 -10.765 188 1HB LYS 82 1HB LYS 82 0.829 1.909 -11.207 189 2HB LYS 82 2HB LYS 82 0.507 3.642 -11.549 190 1HG LYS 82 1HG LYS 82 2.029 3.547 -13.519 191 2HG LYS 82 2HG LYS 82 2.397 1.820 -13.165 192 1HD LYS 82 1HD LYS 82 0.005 1.221 -13.479 193 2HD LYS 82 2HD LYS 82 -0.414 2.947 -13.763 194 1HE LYS 82 1HE LYS 82 1.493 1.291 -15.554 195 2HE LYS 82 2HE LYS 82 -0.251 1.634 -15.908 196 1HZ LYS 82 1HZ LYS 82 0.259 3.977 -15.875 197 2HZ LYS 82 2HZ LYS 82 1.897 3.658 -15.556 198 3HZ LYS 82 3HZ LYS 82 1.203 3.157 -17.024 199 H LYS 83 H LYS 83 1.778 5.496 -9.787 200 HA LYS 83 HA LYS 83 2.903 7.163 -11.734 201 1HB LYS 83 1HB LYS 83 0.929 7.479 -9.979 202 2HB LYS 83 2HB LYS 83 2.206 8.007 -8.863 203 1HG LYS 83 1HG LYS 83 1.573 9.248 -11.641 204 2HG LYS 83 2HG LYS 83 0.940 9.832 -10.066 205 1HD LYS 83 1HD LYS 83 3.394 10.162 -9.331 206 2HD LYS 83 2HD LYS 83 3.837 9.947 -11.063 207 1HE LYS 83 1HE LYS 83 2.392 11.889 -11.690 208 2HE LYS 83 2HE LYS 83 1.883 12.078 -9.960 209 1HZ LYS 83 1HZ LYS 83 4.183 12.450 -9.381 210 2HZ LYS 83 2HZ LYS 83 4.658 12.285 -11.004 211 3HZ LYS 83 3HZ LYS 83 3.649 13.571 -10.541 212 H ALA 84 H ALA 84 3.947 5.776 -8.580 213 HA ALA 84 HA ALA 84 6.190 7.486 -8.323 214 1HB ALA 84 3HB ALA 84 5.191 6.380 -6.308 215 2HB ALA 84 1HB ALA 84 5.485 4.774 -7.035 216 3HB ALA 84 2HB ALA 84 6.884 5.809 -6.552 217 H GLY 85 H GLY 85 5.570 4.091 -9.369 218 1HA GLY 85 2HA GLY 85 8.084 4.185 -10.855 219 2HA GLY 85 1HA GLY 85 6.545 3.380 -11.377 220 H ILE 86 H ILE 86 5.939 2.517 -8.585 221 HA ILE 86 HA ILE 86 8.144 0.759 -7.984 222 HB ILE 86 HB ILE 86 5.535 1.451 -6.533 223 1HG1 ILE 86 1HG1 ILE 86 8.358 2.410 -5.801 224 2HG1 ILE 86 2HG1 ILE 86 7.202 3.387 -6.755 225 1HG2 ILE 86 1HG2 ILE 86 6.536 -0.849 -6.008 226 2HG2 ILE 86 2HG2 ILE 86 8.112 -0.059 -5.648 227 3HG2 ILE 86 3HG2 ILE 86 6.676 0.277 -4.615 228 1HD1 ILE 86 1HD1 ILE 86 5.493 3.153 -4.885 229 2HD1 ILE 86 2HD1 ILE 86 6.774 2.385 -3.873 230 3HD1 ILE 86 3HD1 ILE 86 6.966 4.083 -4.447 231 H GLU 87 H GLU 87 4.566 0.895 -8.336 232 HA GLU 87 HA GLU 87 3.037 -0.522 -8.816 233 1HB GLU 87 1HB GLU 87 4.070 -0.523 -11.079 234 2HB GLU 87 2HB GLU 87 5.019 -1.979 -10.626 235 1HG GLU 87 1HG GLU 87 2.877 -3.265 -10.287 236 2HG GLU 87 2HG GLU 87 1.927 -1.780 -10.688 237 H LEU 88 H LEU 88 2.947 -1.105 -6.672 238 HA LEU 88 HA LEU 88 4.173 -3.665 -6.017 239 1HB LEU 88 1HB LEU 88 4.635 -1.093 -4.983 240 2HB LEU 88 2HB LEU 88 3.533 -1.793 -3.762 241 HG LEU 88 HG LEU 88 6.245 -2.897 -4.739 242 1HD1 LEU 88 1HD1 LEU 88 5.357 -1.871 -1.972 243 2HD1 LEU 88 2HD1 LEU 88 6.954 -2.615 -2.349 244 3HD1 LEU 88 3HD1 LEU 88 6.476 -1.054 -3.103 245 1HD2 LEU 88 1HD2 LEU 88 4.251 -4.244 -2.836 246 2HD2 LEU 88 2HD2 LEU 88 4.889 -4.891 -4.388 247 3HD2 LEU 88 3HD2 LEU 88 5.989 -4.710 -2.976 248 H ASP 89 H ASP 89 2.584 -3.588 -3.427 249 HA ASP 89 HA ASP 89 0.850 -4.960 -2.855 250 1HB ASP 89 1HB ASP 89 -1.411 -3.577 -3.093 251 2HB ASP 89 2HB ASP 89 -0.235 -3.338 -1.814 252 H ARG 90 H ARG 90 0.787 -6.638 -4.243 253 HA ARG 90 HA ARG 90 -1.846 -6.524 -5.389 254 1HB ARG 90 1HB ARG 90 0.587 -7.939 -6.704 255 2HB ARG 90 2HB ARG 90 -1.121 -8.299 -7.133 256 1HG ARG 90 1HG ARG 90 -1.442 -5.958 -7.917 257 2HG ARG 90 2HG ARG 90 0.263 -5.566 -7.494 258 1HD ARG 90 1HD ARG 90 1.101 -7.182 -9.188 259 2HD ARG 90 2HD ARG 90 -0.608 -7.667 -9.591 260 HE ARG 90 HE ARG 90 -0.495 -4.841 -9.825 261 1HH1 ARG 90 1HH1 ARG 90 -0.284 -3.900 -11.970 262 2HH1 ARG 90 2HH1 ARG 90 0.422 -4.821 -13.256 263 1HH2 ARG 90 1HH2 ARG 90 1.023 -7.721 -11.285 264 2HH2 ARG 90 2HH2 ARG 90 1.174 -7.019 -12.863 265 H LYS 91 H LYS 91 0.943 -7.780 -3.672 266 HA LYS 91 HA LYS 91 -0.205 -9.390 -2.056 267 1HB LYS 91 1HB LYS 91 0.530 -11.706 -2.891 268 2HB LYS 91 2HB LYS 91 -0.937 -11.042 -3.637 269 1HG LYS 91 1HG LYS 91 0.670 -10.216 -5.586 270 2HG LYS 91 2HG LYS 91 1.852 -11.358 -4.857 271 1HD LYS 91 1HD LYS 91 0.664 -12.492 -6.645 272 2HD LYS 91 2HD LYS 91 0.077 -13.190 -5.093 273 1HE LYS 91 1HE LYS 91 -2.019 -11.751 -5.263 274 2HE LYS 91 2HE LYS 91 -1.377 -11.036 -6.791 275 1HZ LYS 91 1HZ LYS 91 -1.934 -13.920 -6.327 276 2HZ LYS 91 2HZ LYS 91 -2.922 -12.831 -7.177 277 3HZ LYS 91 3HZ LYS 91 -1.378 -13.220 -7.769 278 H ILE 92 H ILE 92 1.224 -9.574 -0.616 279 HA ILE 92 HA ILE 92 2.933 -10.257 0.449 280 HB ILE 92 HB ILE 92 4.181 -10.744 -2.218 281 1HG1 ILE 92 1HG1 ILE 92 1.927 -11.946 -0.971 282 2HG1 ILE 92 2HG1 ILE 92 2.735 -12.332 -2.502 283 1HG2 ILE 92 1HG2 ILE 92 4.968 -11.781 0.603 284 2HG2 ILE 92 2HG2 ILE 92 5.660 -12.416 -0.943 285 3HG2 ILE 92 3HG2 ILE 92 5.980 -10.740 -0.462 286 1HD1 ILE 92 1HD1 ILE 92 3.438 -13.563 0.258 287 2HD1 ILE 92 2HD1 ILE 92 2.476 -14.342 -1.045 288 3HD1 ILE 92 3HD1 ILE 92 4.214 -13.997 -1.320 289 H LEU 93 H LEU 93 2.379 -7.609 -0.786 290 HA LEU 93 HA LEU 93 4.575 -6.313 0.783 291 1HB LEU 93 1HB LEU 93 4.148 -4.886 -0.864 292 2HB LEU 93 2HB LEU 93 2.500 -5.532 -1.065 293 HG LEU 93 HG LEU 93 2.993 -3.606 1.239 294 1HD1 LEU 93 1HD1 LEU 93 2.737 -2.699 -1.658 295 2HD1 LEU 93 2HD1 LEU 93 2.547 -1.655 -0.193 296 3HD1 LEU 93 3HD1 LEU 93 4.118 -2.474 -0.506 297 1HD2 LEU 93 1HD2 LEU 93 0.607 -4.502 -0.403 298 2HD2 LEU 93 2HD2 LEU 93 0.735 -4.142 1.351 299 3HD2 LEU 93 3HD2 LEU 93 0.631 -2.790 0.181 300 H ALA 94 H ALA 94 1.319 -6.955 0.284 301 HA ALA 94 HA ALA 94 -0.146 -5.974 2.241 302 1HB ALA 94 1HB ALA 94 -0.648 -7.602 0.245 303 2HB ALA 94 2HB ALA 94 -0.267 -8.907 1.489 304 3HB ALA 94 3HB ALA 94 -1.662 -7.813 1.781 305 H ASP 95 H ASP 95 2.234 -8.562 2.438 306 HA ASP 95 HA ASP 95 1.443 -9.539 4.931 307 1HB ASP 95 1HB ASP 95 3.618 -10.465 5.089 308 2HB ASP 95 2HB ASP 95 3.052 -10.636 3.365 309 H MET 96 H MET 96 3.644 -7.094 3.723 310 HA MET 96 HA MET 96 4.355 -6.317 6.423 311 1HB MET 96 1HB MET 96 6.131 -5.568 5.264 312 2HB MET 96 2HB MET 96 5.193 -5.537 3.746 313 1HG MET 96 1HG MET 96 4.223 -3.318 4.318 314 2HG MET 96 2HG MET 96 5.303 -3.298 5.741 315 1HE MET 96 1HE MET 96 5.090 -3.994 1.964 316 2HE MET 96 2HE MET 96 4.753 -2.257 2.306 317 3HE MET 96 3HE MET 96 6.176 -2.722 1.303 318 H ALA 97 H ALA 97 1.614 -5.628 4.352 319 HA ALA 97 HA ALA 97 1.115 -3.059 5.205 320 1HB ALA 97 1HB ALA 97 -0.045 -4.067 3.239 321 2HB ALA 97 2HB ALA 97 -0.996 -5.112 4.366 322 3HB ALA 97 3HB ALA 97 -1.181 -3.322 4.401 323 H VAL 98 H VAL 98 0.233 -6.208 6.691 324 HA VAL 98 HA VAL 98 -1.354 -4.739 8.636 325 HB VAL 98 HB VAL 98 -0.996 -7.683 8.815 326 1HG1 VAL 98 1HG1 VAL 98 -2.501 -6.324 10.325 327 2HG1 VAL 98 2HG1 VAL 98 -3.434 -5.772 8.884 328 3HG1 VAL 98 3HG1 VAL 98 -3.456 -7.511 9.358 329 1HG2 VAL 98 1HG2 VAL 98 -2.460 -6.435 6.414 330 2HG2 VAL 98 2HG2 VAL 98 -1.108 -7.652 6.422 331 3HG2 VAL 98 3HG2 VAL 98 -2.728 -8.113 7.016 332 H ARG 99 H ARG 99 1.416 -6.940 8.081 333 HA ARG 99 HA ARG 99 1.670 -7.314 10.886 334 1HB ARG 99 1HB ARG 99 3.313 -8.544 8.601 335 2HB ARG 99 2HB ARG 99 3.432 -8.943 10.338 336 1HG ARG 99 1HG ARG 99 2.144 -10.674 9.642 337 2HG ARG 99 2HG ARG 99 0.889 -9.537 10.226 338 1HD ARG 99 1HD ARG 99 0.322 -8.989 7.785 339 2HD ARG 99 2HD ARG 99 1.616 -10.107 7.244 340 HE ARG 99 HE ARG 99 -0.339 -11.259 9.163 341 1HH1 ARG 99 1HH1 ARG 99 -1.545 -13.079 8.352 342 2HH1 ARG 99 2HH1 ARG 99 -1.543 -13.442 6.657 343 1HH2 ARG 99 1HH2 ARG 99 0.583 -10.751 5.743 344 2HH2 ARG 99 2HH2 ARG 99 -0.323 -12.108 5.165 345 H ASP 100 H ASP 100 3.369 -5.361 8.412 346 HA ASP 100 HA ASP 100 5.275 -4.610 10.472 347 1HB ASP 100 1HB ASP 100 6.112 -6.028 8.406 348 2HB ASP 100 2HB ASP 100 5.925 -4.552 7.482 349 HA PRO 101 HA PRO 101 2.721 -1.307 8.565 350 1HB PRO 101 1HB PRO 101 1.916 0.078 10.882 351 2HB PRO 101 2HB PRO 101 1.063 -1.377 10.220 352 1HG PRO 101 1HG PRO 101 3.153 -1.265 12.449 353 2HG PRO 101 2HG PRO 101 1.597 -2.195 12.414 354 1HD PRO 101 1HD PRO 101 4.082 -3.334 11.757 355 2HD PRO 101 2HD PRO 101 2.579 -3.850 10.856 356 H GLN 102 H GLN 102 5.634 -1.284 10.346 357 HA GLN 102 HA GLN 102 6.047 1.523 10.378 358 1HB GLN 102 1HB GLN 102 7.403 -0.054 11.807 359 2HB GLN 102 2HB GLN 102 8.027 -0.833 10.317 360 1HG GLN 102 1HG GLN 102 9.154 1.350 9.669 361 2HG GLN 102 2HG GLN 102 8.516 2.099 11.185 362 1HE2 GLN 102 2HE2 GLN 102 10.359 -0.784 9.957 363 2HE2 GLN 102 1HE2 GLN 102 11.464 -0.893 11.286 364 H ALA 103 H ALA 103 6.776 -1.269 8.131 365 HA ALA 103 HA ALA 103 8.226 0.553 6.450 366 1HB ALA 103 1HB ALA 103 7.683 -2.467 6.284 367 2HB ALA 103 3HB ALA 103 9.205 -1.699 6.861 368 3HB ALA 103 2HB ALA 103 8.723 -1.536 5.130 369 H PHE 104 H PHE 104 5.149 -1.359 6.657 370 HA PHE 104 HA PHE 104 4.270 -0.656 4.187 371 1HB PHE 104 1HB PHE 104 2.856 -1.959 5.857 372 2HB PHE 104 2HB PHE 104 2.493 -0.387 6.688 373 HD1 PHE 104 HD1 PHE 104 2.660 -1.609 3.108 374 HD2 PHE 104 HD2 PHE 104 0.447 0.435 6.138 375 HE1 PHE 104 HE1 PHE 104 0.922 -1.069 1.480 376 HE2 PHE 104 HE2 PHE 104 -1.327 0.907 4.505 377 HZ PHE 104 HZ PHE 104 -1.063 0.170 2.160 378 H GLU 105 H GLU 105 4.274 1.507 7.119 379 HA GLU 105 HA GLU 105 2.868 3.492 5.700 380 1HB GLU 105 1HB GLU 105 4.413 3.542 8.308 381 2HB GLU 105 2HB GLU 105 3.736 5.043 7.579 382 1HG GLU 105 1HG GLU 105 1.450 4.158 7.635 383 2HG GLU 105 2HG GLU 105 2.029 2.554 8.222 384 H GLN 106 H GLN 106 6.175 2.516 5.462 385 HA GLN 106 HA GLN 106 7.151 5.127 4.751 386 1HB GLN 106 1HB GLN 106 8.238 2.280 4.412 387 2HB GLN 106 2HB GLN 106 9.022 3.698 3.670 388 1HG GLN 106 1HG GLN 106 9.417 4.706 5.918 389 2HG GLN 106 2HG GLN 106 8.475 3.382 6.702 390 1HE2 GLN 106 2HE2 GLN 106 9.810 2.011 7.717 391 2HE2 GLN 106 1HE2 GLN 106 11.303 1.380 7.104 392 H VAL 107 H VAL 107 5.845 2.207 3.195 393 HA VAL 107 HA VAL 107 6.433 3.032 0.543 394 HB VAL 107 HB VAL 107 4.302 1.112 1.615 395 1HG1 VAL 107 1HG1 VAL 107 5.144 1.761 -1.292 396 2HG1 VAL 107 2HG1 VAL 107 4.195 0.310 -0.802 397 3HG1 VAL 107 3HG1 VAL 107 3.494 1.943 -0.577 398 1HG2 VAL 107 1HG2 VAL 107 7.062 0.737 0.267 399 2HG2 VAL 107 2HG2 VAL 107 6.654 0.366 1.986 400 3HG2 VAL 107 3HG2 VAL 107 5.910 -0.591 0.651 401 H VAL 108 H VAL 108 3.735 3.455 2.804 402 HA VAL 108 HA VAL 108 1.973 4.693 1.023 403 HB VAL 108 HB VAL 108 2.343 4.564 4.032 404 1HG1 VAL 108 1HG1 VAL 108 0.138 6.070 2.498 405 2HG1 VAL 108 2HG1 VAL 108 0.042 5.572 4.234 406 3HG1 VAL 108 3HG1 VAL 108 1.300 6.740 3.723 407 1HG2 VAL 108 1HG2 VAL 108 1.613 2.520 2.717 408 2HG2 VAL 108 2HG2 VAL 108 0.351 3.099 3.860 409 3HG2 VAL 108 3HG2 VAL 108 0.202 3.454 2.098 410 H ASN 109 H ASN 109 4.613 5.849 3.121 411 HA ASN 109 HA ASN 109 3.898 8.562 2.894 412 1HB ASN 109 1HB ASN 109 5.381 7.647 4.738 413 2HB ASN 109 2HB ASN 109 6.667 7.353 3.507 414 1HD2 ASN 109 2HD2 ASN 109 8.171 8.903 3.389 415 2HD2 ASN 109 1HD2 ASN 109 7.962 10.584 3.751 416 H LYS 110 H LYS 110 5.783 6.340 0.844 417 HA LYS 110 HA LYS 110 6.913 8.472 -0.667 418 1HB LYS 110 1HB LYS 110 7.891 6.170 -0.570 419 2HB LYS 110 2HB LYS 110 6.458 5.537 -1.448 420 1HG LYS 110 1HG LYS 110 7.048 6.781 -3.458 421 2HG LYS 110 2HG LYS 110 8.273 7.758 -2.566 422 1HD LYS 110 1HD LYS 110 9.692 5.767 -2.233 423 2HD LYS 110 2HD LYS 110 8.441 4.707 -2.962 424 1HE LYS 110 1HE LYS 110 10.262 5.170 -4.605 425 2HE LYS 110 2HE LYS 110 8.709 5.916 -5.166 426 1HZ LYS 110 1HZ LYS 110 10.914 7.316 -3.746 427 2HZ LYS 110 2HZ LYS 110 10.569 7.398 -5.406 428 3HZ LYS 110 3HZ LYS 110 9.461 8.014 -4.277 429 H VAL 111 H VAL 111 3.982 6.439 -0.842 430 HA VAL 111 HA VAL 111 3.293 7.453 -3.446 431 HB VAL 111 HB VAL 111 2.200 5.333 -1.537 432 1HG1 VAL 111 1HG1 VAL 111 1.101 6.110 -4.318 433 2HG1 VAL 111 2HG1 VAL 111 0.716 4.575 -3.460 434 3HG1 VAL 111 3HG1 VAL 111 0.200 6.126 -2.749 435 1HG2 VAL 111 1HG2 VAL 111 4.399 4.902 -2.774 436 2HG2 VAL 111 2HG2 VAL 111 3.089 3.785 -3.272 437 3HG2 VAL 111 3HG2 VAL 111 3.524 5.174 -4.330 438 H LYS 112 H LYS 112 2.760 8.697 -0.310 439 HA LYS 112 HA LYS 112 0.121 9.537 -1.011 440 1HB LYS 112 1HB LYS 112 0.285 11.098 0.931 441 2HB LYS 112 2HB LYS 112 0.741 9.400 1.352 442 1HG LYS 112 1HG LYS 112 2.368 10.464 2.492 443 2HG LYS 112 2HG LYS 112 3.203 10.243 0.921 444 1HD LYS 112 1HD LYS 112 2.593 12.638 0.332 445 2HD LYS 112 2HD LYS 112 1.845 12.810 1.957 446 1HE LYS 112 1HE LYS 112 4.087 12.394 3.014 447 2HE LYS 112 2HE LYS 112 4.812 12.136 1.373 448 1HZ LYS 112 1HZ LYS 112 4.157 14.381 0.802 449 2HZ LYS 112 2HZ LYS 112 3.525 14.626 2.361 450 3HZ LYS 112 3HZ LYS 112 5.188 14.347 2.150 451 H GLU 113 H GLU 113 3.317 10.509 -1.589 452 HA GLU 113 HA GLU 113 2.674 13.165 -2.497 453 1HB GLU 113 1HB GLU 113 4.738 12.585 -1.383 454 2HB GLU 113 2HB GLU 113 5.117 11.313 -2.566 455 1HG GLU 113 1HG GLU 113 5.465 12.937 -4.382 456 2HG GLU 113 2HG GLU 113 4.971 14.302 -3.304 457 H ALA 114 H ALA 114 3.695 10.069 -3.755 458 HA ALA 114 HA ALA 114 3.816 10.848 -6.456 459 1HB ALA 114 2HB ALA 114 3.191 8.018 -5.440 460 2HB ALA 114 1HB ALA 114 4.856 8.692 -5.614 461 3HB ALA 114 3HB ALA 114 3.811 8.460 -7.069 462 H LEU 115 H LEU 115 1.161 9.683 -4.406 463 HA LEU 115 HA LEU 115 -0.781 9.447 -6.570 464 1HB LEU 115 1HB LEU 115 -1.076 8.097 -4.521 465 2HB LEU 115 2HB LEU 115 -1.097 9.624 -3.564 466 HG LEU 115 HG LEU 115 -2.984 10.420 -4.830 467 1HD1 LEU 115 1HD1 LEU 115 -3.071 7.636 -6.165 468 2HD1 LEU 115 2HD1 LEU 115 -4.445 8.804 -6.186 469 3HD1 LEU 115 3HD1 LEU 115 -2.893 9.232 -6.985 470 1HD2 LEU 115 1HD2 LEU 115 -3.268 9.142 -2.648 471 2HD2 LEU 115 2HD2 LEU 115 -4.720 8.979 -3.711 472 3HD2 LEU 115 3HD2 LEU 115 -3.530 7.627 -3.586 473 H GLN 116 H GLN 116 0.470 11.633 -4.186 474 HA GLN 116 HA GLN 116 0.315 13.786 -3.911 475 1HB GLN 116 1HB GLN 116 0.742 13.906 -6.438 476 2HB GLN 116 2HB GLN 116 -1.011 14.245 -6.617 477 1HG GLN 116 1HG GLN 116 -0.754 16.294 -5.172 478 2HG GLN 116 2HG GLN 116 0.988 15.889 -4.914 479 1HE2 GLN 116 2HE2 GLN 116 2.396 15.701 -6.840 480 2HE2 GLN 116 1HE2 GLN 116 2.093 16.707 -8.217 481 H VAL 117 H VAL 117 -1.362 12.240 -2.687 482 HA VAL 117 HA VAL 117 -3.861 13.719 -2.611 483 HB VAL 117 HB VAL 117 -3.967 11.255 -2.339 484 1HG1 VAL 117 1HG1 VAL 117 -1.745 10.858 -1.308 485 2HG1 VAL 117 2HG1 VAL 117 -2.244 11.730 0.193 486 3HG1 VAL 117 3HG1 VAL 117 -3.053 10.196 -0.274 487 1HG2 VAL 117 1HG2 VAL 117 -5.650 12.799 -1.287 488 2HG2 VAL 117 2HG2 VAL 117 -5.437 11.249 -0.393 489 3HG2 VAL 117 3HG2 VAL 117 -4.705 12.759 0.252 490 H GLN 118 H GLN 118 -0.566 13.701 -1.763 491 HA GLN 118 HA GLN 118 -0.615 14.874 0.736 492 1HB GLN 118 1HB GLN 118 1.537 15.885 0.285 493 2HB GLN 118 2HB GLN 118 1.510 14.256 -0.479 494 1HG GLN 118 1HG GLN 118 1.072 15.298 -2.709 495 2HG GLN 118 2HG GLN 118 1.075 16.941 -1.970 496 1HE2 GLN 118 2HE2 GLN 118 2.807 16.862 -3.843 497 2HE2 GLN 118 1HE2 GLN 118 4.439 16.626 -3.312 No H/Q in entry = 497 Start of MODEL 12 1 H1 TRP 59 1H TRP 59 -3.900 -12.043 0.408 2 H2 TRP 59 2H TRP 59 -2.862 -12.640 -0.799 3 H3 TRP 59 3H TRP 59 -2.425 -12.768 0.838 4 HA TRP 59 HA TRP 59 -2.263 -10.446 1.046 5 1HB TRP 59 1HB TRP 59 -0.639 -11.105 -1.460 6 2HB TRP 59 2HB TRP 59 -0.163 -10.196 -0.009 7 HD1 TRP 59 HD1 TRP 59 -0.350 -13.741 -1.470 8 HE1 TRP 59 HE1 TRP 59 0.926 -15.321 0.089 9 HE3 TRP 59 HE3 TRP 59 0.270 -10.590 2.457 10 HZ2 TRP 59 HZ2 TRP 59 2.096 -15.210 2.658 11 HZ3 TRP 59 HZ3 TRP 59 1.474 -11.390 4.440 12 HH2 TRP 59 HH2 TRP 59 2.368 -13.663 4.538 13 H ILE 60 H ILE 60 -4.595 -9.903 0.461 14 HA ILE 60 HA ILE 60 -4.711 -8.465 -2.000 15 HB ILE 60 HB ILE 60 -7.174 -9.728 -2.024 16 1HG1 ILE 60 1HG1 ILE 60 -6.508 -12.098 -2.522 17 2HG1 ILE 60 2HG1 ILE 60 -4.878 -11.784 -1.829 18 1HG2 ILE 60 1HG2 ILE 60 -5.896 -8.616 -3.810 19 2HG2 ILE 60 2HG2 ILE 60 -4.660 -9.936 -3.786 20 3HG2 ILE 60 3HG2 ILE 60 -6.358 -10.296 -4.295 21 1HD1 ILE 60 1HD1 ILE 60 -7.550 -11.483 -0.328 22 2HD1 ILE 60 2HD1 ILE 60 -6.384 -12.867 -0.143 23 3HD1 ILE 60 3HD1 ILE 60 -5.908 -11.188 0.343 24 H ALA 61 H ALA 61 -6.876 -9.612 0.612 25 HA ALA 61 HA ALA 61 -8.335 -7.137 0.366 26 1HB ALA 61 1HB ALA 61 -8.739 -9.572 2.214 27 2HB ALA 61 3HB ALA 61 -9.606 -9.300 0.655 28 3HB ALA 61 2HB ALA 61 -9.883 -8.184 2.046 29 H ARG 62 H ARG 62 -5.589 -8.301 1.925 30 HA ARG 62 HA ARG 62 -5.992 -6.966 4.414 31 1HB ARG 62 1HB ARG 62 -3.197 -7.330 3.915 32 2HB ARG 62 2HB ARG 62 -4.257 -8.216 5.064 33 1HG ARG 62 1HG ARG 62 -4.796 -9.856 3.122 34 2HG ARG 62 2HG ARG 62 -3.672 -8.900 2.111 35 1HD ARG 62 1HD ARG 62 -2.605 -10.973 3.061 36 2HD ARG 62 2HD ARG 62 -1.761 -9.464 3.611 37 HE ARG 62 HE ARG 62 -3.542 -9.808 5.641 38 1HH1 ARG 62 1HH1 ARG 62 -3.215 -11.137 7.532 39 2HH1 ARG 62 2HH1 ARG 62 -2.238 -12.563 7.436 40 1HH2 ARG 62 1HH2 ARG 62 -1.455 -12.198 3.990 41 2HH2 ARG 62 2HH2 ARG 62 -1.230 -13.171 5.405 42 H ILE 63 H ILE 63 -4.981 -6.105 1.121 43 HA ILE 63 HA ILE 63 -3.392 -3.948 1.788 44 HB ILE 63 HB ILE 63 -4.945 -4.810 -0.729 45 1HG1 ILE 63 1HG1 ILE 63 -2.161 -5.612 0.242 46 2HG1 ILE 63 2HG1 ILE 63 -3.583 -6.715 0.222 47 1HG2 ILE 63 1HG2 ILE 63 -2.390 -3.188 -0.253 48 2HG2 ILE 63 2HG2 ILE 63 -3.088 -3.592 -1.882 49 3HG2 ILE 63 3HG2 ILE 63 -3.995 -2.514 -0.756 50 1HD1 ILE 63 1HD1 ILE 63 -3.741 -6.484 -2.270 51 2HD1 ILE 63 2HD1 ILE 63 -2.246 -5.479 -2.235 52 3HD1 ILE 63 3HD1 ILE 63 -2.169 -7.186 -1.719 53 H ASN 64 H ASN 64 -6.709 -4.740 0.689 54 HA ASN 64 HA ASN 64 -7.638 -2.137 0.415 55 1HB ASN 64 1HB ASN 64 -8.785 -4.379 -0.277 56 2HB ASN 64 2HB ASN 64 -9.286 -4.548 1.431 57 1HD2 ASN 64 2HD2 ASN 64 -11.269 -3.802 1.883 58 2HD2 ASN 64 1HD2 ASN 64 -12.076 -2.470 1.124 59 H ALA 65 H ALA 65 -7.504 -4.441 3.044 60 HA ALA 65 HA ALA 65 -9.018 -2.927 4.864 61 1HB ALA 65 3HB ALA 65 -8.159 -4.460 6.646 62 2HB ALA 65 1HB ALA 65 -8.709 -5.391 5.206 63 3HB ALA 65 2HB ALA 65 -6.945 -5.112 5.480 64 H ALA 66 H ALA 66 -5.580 -2.878 3.934 65 HA ALA 66 HA ALA 66 -4.799 -1.596 6.342 66 1HB ALA 66 2HB ALA 66 -3.448 -1.592 3.573 67 2HB ALA 66 3HB ALA 66 -2.681 -1.103 5.132 68 3HB ALA 66 1HB ALA 66 -3.178 -2.817 4.863 69 H VAL 67 H VAL 67 -5.853 -0.510 3.070 70 HA VAL 67 HA VAL 67 -4.730 2.062 3.669 71 HB VAL 67 HB VAL 67 -5.130 2.620 1.338 72 1HG1 VAL 67 1HG1 VAL 67 -3.037 1.526 2.033 73 2HG1 VAL 67 2HG1 VAL 67 -3.768 -0.104 1.773 74 3HG1 VAL 67 3HG1 VAL 67 -3.542 1.005 0.378 75 1HG2 VAL 67 1HG2 VAL 67 -6.409 -0.199 1.171 76 2HG2 VAL 67 2HG2 VAL 67 -7.249 1.355 0.918 77 3HG2 VAL 67 3HG2 VAL 67 -5.972 0.837 -0.229 78 H ARG 68 H ARG 68 -7.674 0.690 4.342 79 HA ARG 68 HA ARG 68 -9.371 2.669 3.255 80 1HB ARG 68 1HB ARG 68 -11.169 1.580 4.510 81 2HB ARG 68 2HB ARG 68 -10.128 0.347 3.724 82 1HG ARG 68 1HG ARG 68 -8.864 0.160 5.965 83 2HG ARG 68 2HG ARG 68 -10.186 1.129 6.701 84 1HD ARG 68 1HD ARG 68 -11.857 -0.618 6.001 85 2HD ARG 68 2HD ARG 68 -10.510 -1.522 5.163 86 HE ARG 68 HE ARG 68 -9.873 -0.985 7.967 87 1HH1 ARG 68 1HH1 ARG 68 -9.756 -2.883 9.344 88 2HH1 ARG 68 2HH1 ARG 68 -10.513 -4.361 8.852 89 1HH2 ARG 68 1HH2 ARG 68 -11.753 -3.080 5.774 90 2HH2 ARG 68 2HH2 ARG 68 -11.662 -4.474 6.799 91 H ALA 69 H ALA 69 -7.215 2.675 5.884 92 HA ALA 69 HA ALA 69 -8.660 4.281 7.685 93 1HB ALA 69 1HB ALA 69 -5.625 4.053 7.156 94 2HB ALA 69 2HB ALA 69 -6.368 4.856 8.591 95 3HB ALA 69 3HB ALA 69 -6.547 3.076 8.360 96 H TYR 70 H TYR 70 -6.620 4.843 4.787 97 HA TYR 70 HA TYR 70 -6.388 7.619 5.336 98 1HB TYR 70 1HB TYR 70 -5.834 6.116 2.696 99 2HB TYR 70 2HB TYR 70 -5.169 7.734 3.182 100 HD1 TYR 70 HD1 TYR 70 -4.160 7.502 5.794 101 HD2 TYR 70 HD2 TYR 70 -4.293 4.475 2.786 102 HE1 TYR 70 HE1 TYR 70 -2.358 6.295 6.925 103 HE2 TYR 70 HE2 TYR 70 -2.470 3.278 3.918 104 HH TYR 70 HH TYR 70 -1.056 4.515 6.957 105 H GLY 71 H GLY 71 -8.268 5.505 3.111 106 1HA GLY 71 2HA GLY 71 -9.695 7.895 2.189 107 2HA GLY 71 1HA GLY 71 -10.540 6.394 2.779 108 H LEU 72 H LEU 72 -7.541 5.626 1.489 109 HA LEU 72 HA LEU 72 -8.341 5.314 -1.273 110 1HB LEU 72 1HB LEU 72 -6.121 4.057 0.426 111 2HB LEU 72 2HB LEU 72 -6.263 3.876 -1.357 112 HG LEU 72 HG LEU 72 -5.859 6.544 0.147 113 1HD1 LEU 72 1HD1 LEU 72 -3.877 5.065 0.408 114 2HD1 LEU 72 2HD1 LEU 72 -3.805 4.841 -1.383 115 3HD1 LEU 72 3HD1 LEU 72 -3.512 6.471 -0.665 116 1HD2 LEU 72 1HD2 LEU 72 -7.018 6.757 -2.082 117 2HD2 LEU 72 2HD2 LEU 72 -5.366 7.488 -2.102 118 3HD2 LEU 72 3HD2 LEU 72 -5.660 5.867 -2.850 119 H ASN 73 H ASN 73 -8.865 3.423 -2.242 120 HA ASN 73 HA ASN 73 -9.826 1.453 -0.376 121 1HB ASN 73 1HB ASN 73 -11.974 1.187 -1.661 122 2HB ASN 73 2HB ASN 73 -11.815 2.824 -0.936 123 1HD2 ASN 73 2HD2 ASN 73 -12.728 1.171 -3.668 124 2HD2 ASN 73 1HD2 ASN 73 -12.533 2.403 -4.869 125 H TYR 74 H TYR 74 -7.427 1.339 -1.658 126 HA TYR 74 HA TYR 74 -6.199 -0.182 -2.547 127 1HB TYR 74 1HB TYR 74 -7.386 -2.043 -1.753 128 2HB TYR 74 2HB TYR 74 -8.755 -1.798 -2.885 129 HD1 TYR 74 HD1 TYR 74 -5.560 -3.447 -2.428 130 HD2 TYR 74 HD2 TYR 74 -8.618 -2.361 -5.194 131 HE1 TYR 74 HE1 TYR 74 -4.794 -5.191 -3.953 132 HE2 TYR 74 HE2 TYR 74 -7.889 -4.159 -6.692 133 HH TYR 74 HH TYR 74 -5.114 -6.251 -5.879 134 H SER 75 H SER 75 -8.707 1.366 -4.441 135 HA SER 75 HA SER 75 -7.584 0.378 -6.908 136 1HB SER 75 1HB SER 75 -9.385 1.743 -8.023 137 2HB SER 75 2HB SER 75 -10.055 0.584 -6.810 138 HG SER 75 HG SER 75 -10.934 2.655 -6.629 139 H THR 76 H THR 76 -7.687 3.394 -4.997 140 HA THR 76 HA THR 76 -6.386 4.810 -7.162 141 HB THR 76 HB THR 76 -6.448 6.630 -5.193 142 HG1 THR 76 HG1 THR 76 -7.148 5.219 -3.633 143 1HG2 THR 76 1HG2 THR 76 -8.931 5.568 -6.726 144 2HG2 THR 76 2HG2 THR 76 -8.771 7.208 -5.991 145 3HG2 THR 76 3HG2 THR 76 -7.709 6.732 -7.369 146 H PHE 77 H PHE 77 -5.855 3.157 -4.167 147 HA PHE 77 HA PHE 77 -3.254 3.958 -3.580 148 1HB PHE 77 1HB PHE 77 -4.777 2.388 -2.180 149 2HB PHE 77 2HB PHE 77 -4.533 1.135 -3.429 150 HD1 PHE 77 HD1 PHE 77 -2.126 3.496 -1.675 151 HD2 PHE 77 HD2 PHE 77 -3.243 -0.493 -2.718 152 HE1 PHE 77 HE1 PHE 77 -0.161 2.641 -0.502 153 HE2 PHE 77 HE2 PHE 77 -1.277 -1.340 -1.548 154 HZ PHE 77 HZ PHE 77 0.267 0.217 -0.408 155 H ILE 78 H ILE 78 -4.765 1.534 -5.643 156 HA ILE 78 HA ILE 78 -2.652 0.116 -6.436 157 HB ILE 78 HB ILE 78 -5.344 0.276 -7.222 158 1HG1 ILE 78 1HG1 ILE 78 -3.095 -1.725 -7.818 159 2HG1 ILE 78 2HG1 ILE 78 -3.994 -1.579 -6.269 160 1HG2 ILE 78 1HG2 ILE 78 -4.715 1.365 -9.374 161 2HG2 ILE 78 2HG2 ILE 78 -3.524 0.031 -9.703 162 3HG2 ILE 78 3HG2 ILE 78 -5.288 -0.300 -9.609 163 1HD1 ILE 78 1HD1 ILE 78 -6.138 -2.128 -7.498 164 2HD1 ILE 78 2HD1 ILE 78 -5.178 -2.415 -9.000 165 3HD1 ILE 78 3HD1 ILE 78 -4.913 -3.453 -7.556 166 H ASN 79 H ASN 79 -3.842 3.221 -7.724 167 HA ASN 79 HA ASN 79 -2.205 2.987 -10.033 168 1HB ASN 79 1HB ASN 79 -2.998 4.948 -10.849 169 2HB ASN 79 2HB ASN 79 -4.441 4.242 -10.000 170 1HD2 ASN 79 2HD2 ASN 79 -5.540 5.580 -8.630 171 2HD2 ASN 79 1HD2 ASN 79 -5.077 7.206 -8.249 172 H GLY 80 H GLY 80 -2.285 4.953 -7.255 173 1HA GLY 80 2HA GLY 80 -0.695 6.253 -6.161 174 2HA GLY 80 1HA GLY 80 -0.017 6.471 -7.799 175 H LEU 81 H LEU 81 -0.143 3.209 -6.600 176 HA LEU 81 HA LEU 81 2.471 3.085 -5.532 177 1HB LEU 81 1HB LEU 81 0.980 1.047 -7.204 178 2HB LEU 81 2HB LEU 81 2.421 0.643 -6.371 179 HG LEU 81 HG LEU 81 0.117 1.723 -4.722 180 1HD1 LEU 81 1HD1 LEU 81 -0.598 -0.370 -5.956 181 2HD1 LEU 81 2HD1 LEU 81 0.823 -1.221 -5.231 182 3HD1 LEU 81 3HD1 LEU 81 -0.491 -0.593 -4.167 183 1HD2 LEU 81 1HD2 LEU 81 2.489 1.741 -3.752 184 2HD2 LEU 81 2HD2 LEU 81 1.283 0.772 -2.829 185 3HD2 LEU 81 3HD2 LEU 81 2.475 -0.056 -3.884 186 H LYS 82 H LYS 82 1.213 3.032 -8.896 187 HA LYS 82 HA LYS 82 3.706 2.148 -9.939 188 1HB LYS 82 1HB LYS 82 1.493 1.705 -11.068 189 2HB LYS 82 2HB LYS 82 1.310 3.470 -11.352 190 1HG LYS 82 1HG LYS 82 3.257 3.479 -12.863 191 2HG LYS 82 2HG LYS 82 3.643 1.777 -12.430 192 1HD LYS 82 1HD LYS 82 1.489 1.020 -13.448 193 2HD LYS 82 2HD LYS 82 1.063 2.726 -13.830 194 1HE LYS 82 1HE LYS 82 1.922 1.568 -15.857 195 2HE LYS 82 2HE LYS 82 3.078 2.871 -15.358 196 1HZ LYS 82 1HZ LYS 82 3.325 -0.025 -14.731 197 2HZ LYS 82 2HZ LYS 82 4.180 0.822 -15.929 198 3HZ LYS 82 3HZ LYS 82 4.419 1.196 -14.289 199 H LYS 83 H LYS 83 2.110 5.177 -9.138 200 HA LYS 83 HA LYS 83 3.815 6.853 -10.612 201 1HB LYS 83 1HB LYS 83 2.197 7.343 -8.033 202 2HB LYS 83 2HB LYS 83 3.037 8.634 -8.966 203 1HG LYS 83 1HG LYS 83 0.756 6.852 -10.035 204 2HG LYS 83 2HG LYS 83 0.567 8.504 -9.360 205 1HD LYS 83 1HD LYS 83 2.058 9.413 -11.161 206 2HD LYS 83 2HD LYS 83 2.182 7.766 -11.880 207 1HE LYS 83 1HE LYS 83 -0.297 7.728 -12.258 208 2HE LYS 83 2HE LYS 83 -0.432 9.383 -11.526 209 1HZ LYS 83 1HZ LYS 83 1.168 8.661 -13.927 210 2HZ LYS 83 2HZ LYS 83 -0.343 9.436 -13.919 211 3HZ LYS 83 3HZ LYS 83 1.012 10.209 -13.247 212 H ALA 84 H ALA 84 4.033 5.209 -7.428 213 HA ALA 84 HA ALA 84 6.274 6.753 -6.603 214 1HB ALA 84 3HB ALA 84 4.880 5.644 -4.888 215 2HB ALA 84 1HB ALA 84 5.133 4.043 -5.670 216 3HB ALA 84 2HB ALA 84 6.517 4.882 -4.888 217 H GLY 85 H GLY 85 5.725 3.403 -7.801 218 1HA GLY 85 2HA GLY 85 8.534 3.296 -8.616 219 2HA GLY 85 1HA GLY 85 7.140 2.491 -9.456 220 H ILE 86 H ILE 86 5.755 1.800 -7.026 221 HA ILE 86 HA ILE 86 7.422 -0.331 -5.990 222 HB ILE 86 HB ILE 86 5.505 1.470 -4.394 223 1HG1 ILE 86 1HG1 ILE 86 8.578 1.452 -4.315 224 2HG1 ILE 86 2HG1 ILE 86 7.541 2.759 -4.982 225 1HG2 ILE 86 1HG2 ILE 86 5.706 -0.944 -3.571 226 2HG2 ILE 86 2HG2 ILE 86 7.496 -0.756 -3.509 227 3HG2 ILE 86 3HG2 ILE 86 6.431 0.189 -2.403 228 1HD1 ILE 86 1HD1 ILE 86 6.507 3.092 -2.699 229 2HD1 ILE 86 2HD1 ILE 86 7.686 1.903 -2.024 230 3HD1 ILE 86 3HD1 ILE 86 8.277 3.430 -2.765 231 H GLU 87 H GLU 87 6.051 -1.114 -8.030 232 HA GLU 87 HA GLU 87 3.215 -1.287 -7.484 233 1HB GLU 87 1HB GLU 87 4.918 -2.514 -9.729 234 2HB GLU 87 2HB GLU 87 3.127 -2.655 -9.589 235 1HG GLU 87 1HG GLU 87 2.926 -0.159 -9.802 236 2HG GLU 87 2HG GLU 87 4.725 -0.034 -9.949 237 H LEU 88 H LEU 88 3.187 -2.495 -5.539 238 HA LEU 88 HA LEU 88 4.609 -5.041 -5.690 239 1HB LEU 88 1HB LEU 88 5.712 -2.963 -4.601 240 2HB LEU 88 2HB LEU 88 4.445 -3.078 -3.352 241 HG LEU 88 HG LEU 88 5.275 -5.440 -2.835 242 1HD1 LEU 88 1HD1 LEU 88 7.617 -4.658 -4.689 243 2HD1 LEU 88 2HD1 LEU 88 7.573 -6.084 -3.584 244 3HD1 LEU 88 3HD1 LEU 88 6.432 -5.991 -4.971 245 1HD2 LEU 88 1HD2 LEU 88 5.901 -3.445 -1.486 246 2HD2 LEU 88 2HD2 LEU 88 7.221 -4.676 -1.518 247 3HD2 LEU 88 3HD2 LEU 88 7.350 -3.184 -2.530 248 H ASP 89 H ASP 89 1.640 -3.415 -5.095 249 HA ASP 89 HA ASP 89 0.669 -5.047 -2.977 250 1HB ASP 89 1HB ASP 89 -1.504 -4.033 -3.370 251 2HB ASP 89 2HB ASP 89 -0.290 -2.790 -3.584 252 H ARG 90 H ARG 90 1.389 -6.102 -6.037 253 HA ARG 90 HA ARG 90 -1.256 -6.920 -6.464 254 1HB ARG 90 1HB ARG 90 1.279 -7.757 -8.025 255 2HB ARG 90 2HB ARG 90 -0.416 -7.958 -8.599 256 1HG ARG 90 1HG ARG 90 -0.667 -5.419 -8.511 257 2HG ARG 90 2HG ARG 90 1.070 -5.300 -8.063 258 1HD ARG 90 1HD ARG 90 0.841 -4.875 -10.489 259 2HD ARG 90 2HD ARG 90 1.686 -6.453 -10.241 260 HE ARG 90 HE ARG 90 -0.194 -7.589 -11.102 261 1HH1 ARG 90 1HH1 ARG 90 -2.217 -7.659 -12.264 262 2HH1 ARG 90 2HH1 ARG 90 -3.189 -6.234 -12.412 263 1HH2 ARG 90 1HH2 ARG 90 -0.985 -4.139 -10.574 264 2HH2 ARG 90 2HH2 ARG 90 -2.482 -4.213 -11.441 265 H LYS 91 H LYS 91 0.317 -7.877 -4.087 266 HA LYS 91 HA LYS 91 -0.323 -9.568 -2.906 267 1HB LYS 91 1HB LYS 91 0.928 -11.379 -5.063 268 2HB LYS 91 2HB LYS 91 0.804 -11.851 -3.333 269 1HG LYS 91 1HG LYS 91 -1.663 -11.487 -3.377 270 2HG LYS 91 2HG LYS 91 -1.595 -11.159 -5.136 271 1HD LYS 91 1HD LYS 91 -0.763 -13.479 -5.533 272 2HD LYS 91 2HD LYS 91 -0.726 -13.777 -3.756 273 1HE LYS 91 1HE LYS 91 -3.217 -13.361 -3.640 274 2HE LYS 91 2HE LYS 91 -3.247 -13.149 -5.437 275 1HZ LYS 91 1HZ LYS 91 -2.385 -15.389 -5.652 276 2HZ LYS 91 2HZ LYS 91 -2.378 -15.584 -3.965 277 3HZ LYS 91 3HZ LYS 91 -3.845 -15.364 -4.788 278 H ILE 92 H ILE 92 0.942 -9.352 -1.225 279 HA ILE 92 HA ILE 92 2.599 -9.389 0.019 280 HB ILE 92 HB ILE 92 4.246 -10.112 -2.366 281 1HG1 ILE 92 1HG1 ILE 92 2.119 -11.499 -0.972 282 2HG1 ILE 92 2HG1 ILE 92 2.940 -11.862 -2.495 283 1HG2 ILE 92 1HG2 ILE 92 5.614 -9.329 -0.370 284 2HG2 ILE 92 2HG2 ILE 92 4.757 -10.528 0.667 285 3HG2 ILE 92 3HG2 ILE 92 5.845 -11.076 -0.667 286 1HD1 ILE 92 1HD1 ILE 92 4.804 -13.035 -1.230 287 2HD1 ILE 92 2HD1 ILE 92 3.909 -12.732 0.314 288 3HD1 ILE 92 3HD1 ILE 92 3.188 -13.777 -0.959 289 H LEU 93 H LEU 93 2.175 -7.414 0.426 290 HA LEU 93 HA LEU 93 4.114 -5.470 0.586 291 1HB LEU 93 1HB LEU 93 3.598 -4.676 -1.538 292 2HB LEU 93 2HB LEU 93 1.963 -5.281 -1.402 293 HG LEU 93 HG LEU 93 2.477 -3.024 0.487 294 1HD1 LEU 93 1HD1 LEU 93 3.816 -2.222 -1.361 295 2HD1 LEU 93 2HD1 LEU 93 2.422 -2.414 -2.502 296 3HD1 LEU 93 3HD1 LEU 93 2.326 -1.225 -1.144 297 1HD2 LEU 93 1HD2 LEU 93 0.176 -3.517 -1.499 298 2HD2 LEU 93 2HD2 LEU 93 0.138 -3.886 0.246 299 3HD2 LEU 93 3HD2 LEU 93 0.278 -2.186 -0.285 300 H ALA 94 H ALA 94 0.855 -6.427 -0.070 301 HA ALA 94 HA ALA 94 -0.663 -5.745 2.036 302 1HB ALA 94 1HB ALA 94 -0.859 -7.547 0.058 303 2HB ALA 94 2HB ALA 94 -0.211 -8.678 1.354 304 3HB ALA 94 3HB ALA 94 -1.780 -7.844 1.620 305 H ASP 95 H ASP 95 2.057 -8.091 1.850 306 HA ASP 95 HA ASP 95 1.825 -9.123 4.367 307 1HB ASP 95 1HB ASP 95 4.005 -9.920 4.157 308 2HB ASP 95 2HB ASP 95 3.319 -9.927 2.486 309 H MET 96 H MET 96 3.835 -6.461 3.158 310 HA MET 96 HA MET 96 4.691 -5.947 5.758 311 1HB MET 96 1HB MET 96 6.142 -4.440 5.048 312 2HB MET 96 2HB MET 96 5.749 -5.108 3.455 313 1HG MET 96 1HG MET 96 4.190 -2.672 4.466 314 2HG MET 96 2HG MET 96 5.904 -2.507 4.129 315 1HE MET 96 1HE MET 96 7.093 -2.353 2.143 316 2HE MET 96 2HE MET 96 6.783 -4.073 1.695 317 3HE MET 96 3HE MET 96 6.529 -2.764 0.492 318 H ALA 97 H ALA 97 1.740 -4.922 4.217 319 HA ALA 97 HA ALA 97 1.240 -2.699 5.808 320 1HB ALA 97 1HB ALA 97 -0.086 -3.278 3.731 321 2HB ALA 97 2HB ALA 97 -0.807 -4.666 4.630 322 3HB ALA 97 3HB ALA 97 -1.112 -2.978 5.185 323 H VAL 98 H VAL 98 0.886 -6.189 6.410 324 HA VAL 98 HA VAL 98 -0.632 -5.631 8.808 325 HB VAL 98 HB VAL 98 0.467 -8.341 7.927 326 1HG1 VAL 98 1HG1 VAL 98 -1.739 -7.419 9.884 327 2HG1 VAL 98 2HG1 VAL 98 -1.392 -9.130 9.435 328 3HG1 VAL 98 3HG1 VAL 98 -0.160 -8.171 10.330 329 1HG2 VAL 98 1HG2 VAL 98 -2.152 -6.925 7.167 330 2HG2 VAL 98 2HG2 VAL 98 -0.890 -7.647 6.086 331 3HG2 VAL 98 3HG2 VAL 98 -1.911 -8.714 7.094 332 H ARG 99 H ARG 99 2.397 -7.458 7.932 333 HA ARG 99 HA ARG 99 2.929 -7.587 10.664 334 1HB ARG 99 1HB ARG 99 5.035 -8.816 9.727 335 2HB ARG 99 2HB ARG 99 3.407 -9.601 9.793 336 1HG ARG 99 1HG ARG 99 4.391 -8.261 7.231 337 2HG ARG 99 2HG ARG 99 5.023 -9.856 7.724 338 1HD ARG 99 1HD ARG 99 2.020 -9.349 7.100 339 2HD ARG 99 2HD ARG 99 3.201 -10.142 6.073 340 HE ARG 99 HE ARG 99 2.056 -11.240 8.598 341 1HH1 ARG 99 1HH1 ARG 99 2.100 -13.573 8.667 342 2HH1 ARG 99 2HH1 ARG 99 3.093 -14.458 7.559 343 1HH2 ARG 99 1HH2 ARG 99 4.370 -11.595 5.891 344 2HH2 ARG 99 2HH2 ARG 99 4.396 -13.325 5.968 345 H ASP 100 H ASP 100 4.269 -5.520 8.135 346 HA ASP 100 HA ASP 100 6.283 -4.666 10.061 347 1HB ASP 100 1HB ASP 100 7.080 -5.867 7.889 348 2HB ASP 100 2HB ASP 100 6.613 -4.434 7.014 349 HA PRO 101 HA PRO 101 3.527 -1.334 8.671 350 1HB PRO 101 1HB PRO 101 3.152 -0.062 11.204 351 2HB PRO 101 2HB PRO 101 2.072 -1.316 10.467 352 1HG PRO 101 1HG PRO 101 4.275 -1.665 12.533 353 2HG PRO 101 2HG PRO 101 2.686 -2.532 12.409 354 1HD PRO 101 1HD PRO 101 5.132 -3.615 11.538 355 2HD PRO 101 2HD PRO 101 3.592 -4.021 10.650 356 H GLN 102 H GLN 102 6.653 -1.369 10.024 357 HA GLN 102 HA GLN 102 7.046 1.458 10.102 358 1HB GLN 102 1HB GLN 102 9.090 -0.828 9.820 359 2HB GLN 102 2HB GLN 102 9.467 0.877 10.248 360 1HG GLN 102 1HG GLN 102 8.156 0.621 12.389 361 2HG GLN 102 2HG GLN 102 7.826 -1.107 11.966 362 1HE2 GLN 102 2HE2 GLN 102 9.849 -2.424 11.322 363 2HE2 GLN 102 1HE2 GLN 102 11.286 -2.183 12.260 364 H ALA 103 H ALA 103 7.616 -1.335 7.880 365 HA ALA 103 HA ALA 103 8.831 0.302 5.900 366 1HB ALA 103 1HB ALA 103 7.635 -2.536 5.769 367 2HB ALA 103 3HB ALA 103 9.377 -2.136 6.016 368 3HB ALA 103 2HB ALA 103 8.578 -1.752 4.445 369 H PHE 104 H PHE 104 5.608 -1.160 6.582 370 HA PHE 104 HA PHE 104 4.375 -0.309 4.308 371 1HB PHE 104 1HB PHE 104 3.205 -1.568 6.234 372 2HB PHE 104 2HB PHE 104 3.051 0.032 7.069 373 HD1 PHE 104 HD1 PHE 104 2.560 -1.265 3.553 374 HD2 PHE 104 HD2 PHE 104 0.975 0.934 6.852 375 HE1 PHE 104 HE1 PHE 104 0.539 -0.857 2.283 376 HE2 PHE 104 HE2 PHE 104 -1.106 1.283 5.597 377 HZ PHE 104 HZ PHE 104 -1.339 0.409 3.310 378 H GLU 105 H GLU 105 5.085 1.722 7.211 379 HA GLU 105 HA GLU 105 3.523 3.839 6.380 380 1HB GLU 105 1HB GLU 105 4.648 3.431 8.687 381 2HB GLU 105 2HB GLU 105 6.127 4.146 7.954 382 1HG GLU 105 1HG GLU 105 4.802 6.276 7.503 383 2HG GLU 105 2HG GLU 105 3.343 5.478 8.222 384 H GLN 106 H GLN 106 6.829 2.870 5.451 385 HA GLN 106 HA GLN 106 7.520 5.368 4.321 386 1HB GLN 106 1HB GLN 106 8.535 2.503 3.827 387 2HB GLN 106 2HB GLN 106 9.210 3.937 3.019 388 1HG GLN 106 1HG GLN 106 9.190 3.403 6.074 389 2HG GLN 106 2HG GLN 106 10.615 3.241 4.977 390 1HE2 GLN 106 2HE2 GLN 106 9.143 5.243 7.203 391 2HE2 GLN 106 1HE2 GLN 106 9.746 6.787 6.698 392 H VAL 107 H VAL 107 6.011 2.392 3.105 393 HA VAL 107 HA VAL 107 6.275 3.101 0.373 394 HB VAL 107 HB VAL 107 4.354 1.190 1.788 395 1HG1 VAL 107 1HG1 VAL 107 4.682 1.809 -1.229 396 2HG1 VAL 107 2HG1 VAL 107 3.898 0.326 -0.576 397 3HG1 VAL 107 3HG1 VAL 107 3.163 1.928 -0.250 398 1HG2 VAL 107 1HG2 VAL 107 6.866 0.858 0.007 399 2HG2 VAL 107 2HG2 VAL 107 6.756 0.510 1.775 400 3HG2 VAL 107 3HG2 VAL 107 5.831 -0.489 0.589 401 H VAL 108 H VAL 108 3.798 3.571 2.875 402 HA VAL 108 HA VAL 108 1.842 4.696 1.244 403 HB VAL 108 HB VAL 108 2.549 4.690 4.197 404 1HG1 VAL 108 1HG1 VAL 108 0.196 6.188 2.882 405 2HG1 VAL 108 2HG1 VAL 108 0.295 5.740 4.630 406 3HG1 VAL 108 3HG1 VAL 108 1.499 6.877 3.943 407 1HG2 VAL 108 1HG2 VAL 108 1.668 2.627 3.053 408 2HG2 VAL 108 2HG2 VAL 108 0.508 3.268 4.275 409 3HG2 VAL 108 3HG2 VAL 108 0.215 3.549 2.517 410 H ASN 109 H ASN 109 4.657 6.009 2.958 411 HA ASN 109 HA ASN 109 3.847 8.692 2.700 412 1HB ASN 109 1HB ASN 109 5.548 7.848 4.416 413 2HB ASN 109 2HB ASN 109 6.703 7.561 3.062 414 1HD2 ASN 109 2HD2 ASN 109 4.654 10.081 4.662 415 2HD2 ASN 109 1HD2 ASN 109 5.696 11.426 4.332 416 H LYS 110 H LYS 110 5.685 6.443 0.619 417 HA LYS 110 HA LYS 110 6.668 8.537 -1.027 418 1HB LYS 110 1HB LYS 110 7.759 6.256 -0.853 419 2HB LYS 110 2HB LYS 110 6.298 5.545 -1.616 420 1HG LYS 110 1HG LYS 110 8.050 5.708 -3.261 421 2HG LYS 110 2HG LYS 110 6.759 6.871 -3.706 422 1HD LYS 110 1HD LYS 110 8.132 8.750 -2.740 423 2HD LYS 110 2HD LYS 110 9.434 7.570 -2.349 424 1HE LYS 110 1HE LYS 110 8.354 8.211 -5.182 425 2HE LYS 110 2HE LYS 110 9.922 8.786 -4.480 426 1HZ LYS 110 1HZ LYS 110 10.600 6.483 -4.282 427 2HZ LYS 110 2HZ LYS 110 9.137 5.961 -4.969 428 3HZ LYS 110 3HZ LYS 110 10.222 6.891 -5.887 429 H VAL 111 H VAL 111 3.777 6.481 -0.872 430 HA VAL 111 HA VAL 111 2.910 7.224 -3.527 431 HB VAL 111 HB VAL 111 1.857 5.443 -1.261 432 1HG1 VAL 111 1HG1 VAL 111 0.559 5.968 -4.014 433 2HG1 VAL 111 2HG1 VAL 111 0.179 4.552 -2.967 434 3HG1 VAL 111 3HG1 VAL 111 -0.186 6.211 -2.387 435 1HG2 VAL 111 1HG2 VAL 111 3.890 4.652 -2.579 436 2HG2 VAL 111 2HG2 VAL 111 2.444 3.614 -2.835 437 3HG2 VAL 111 3HG2 VAL 111 2.929 4.812 -4.091 438 H LYS 112 H LYS 112 2.552 8.652 -0.353 439 HA LYS 112 HA LYS 112 -0.048 9.524 -1.135 440 1HB LYS 112 1HB LYS 112 -0.083 10.887 0.898 441 2HB LYS 112 2HB LYS 112 0.574 9.239 1.253 442 1HG LYS 112 1HG LYS 112 2.017 10.402 2.494 443 2HG LYS 112 2HG LYS 112 2.923 10.435 0.947 444 1HD LYS 112 1HD LYS 112 2.073 12.762 0.528 445 2HD LYS 112 2HD LYS 112 1.072 12.661 2.021 446 1HE LYS 112 1HE LYS 112 3.124 13.979 2.456 447 2HE LYS 112 2HE LYS 112 3.206 12.424 3.383 448 1HZ LYS 112 1HZ LYS 112 4.581 11.527 1.619 449 2HZ LYS 112 2HZ LYS 112 4.507 12.994 0.768 450 3HZ LYS 112 3HZ LYS 112 5.265 12.931 2.288 451 H GLU 113 H GLU 113 3.188 10.639 -1.451 452 HA GLU 113 HA GLU 113 2.334 13.233 -2.350 453 1HB GLU 113 1HB GLU 113 4.731 13.677 -2.692 454 2HB GLU 113 2HB GLU 113 4.327 12.978 -1.061 455 1HG GLU 113 1HG GLU 113 5.190 10.775 -1.725 456 2HG GLU 113 2HG GLU 113 5.754 11.467 -3.302 457 H ALA 114 H ALA 114 3.712 10.386 -3.556 458 HA ALA 114 HA ALA 114 3.963 11.147 -6.255 459 1HB ALA 114 2HB ALA 114 3.529 8.264 -5.289 460 2HB ALA 114 1HB ALA 114 5.131 9.090 -5.432 461 3HB ALA 114 3HB ALA 114 4.148 8.766 -6.903 462 H LEU 115 H LEU 115 1.186 9.715 -4.483 463 HA LEU 115 HA LEU 115 -0.505 9.447 -6.839 464 1HB LEU 115 1HB LEU 115 -0.957 8.079 -4.820 465 2HB LEU 115 2HB LEU 115 -1.131 9.607 -3.880 466 HG LEU 115 HG LEU 115 -2.918 10.321 -5.341 467 1HD1 LEU 115 1HD1 LEU 115 -2.824 7.500 -6.582 468 2HD1 LEU 115 2HD1 LEU 115 -4.184 8.662 -6.789 469 3HD1 LEU 115 3HD1 LEU 115 -2.557 9.067 -7.437 470 1HD2 LEU 115 1HD2 LEU 115 -3.343 9.073 -3.158 471 2HD2 LEU 115 2HD2 LEU 115 -4.685 8.813 -4.340 472 3HD2 LEU 115 3HD2 LEU 115 -3.443 7.531 -4.079 473 H GLN 116 H GLN 116 0.397 11.613 -4.298 474 HA GLN 116 HA GLN 116 0.143 13.781 -4.012 475 1HB GLN 116 1HB GLN 116 0.829 13.933 -6.515 476 2HB GLN 116 2HB GLN 116 -0.907 14.250 -6.832 477 1HG GLN 116 1HG GLN 116 -0.763 16.231 -5.203 478 2HG GLN 116 2HG GLN 116 1.008 15.899 -5.048 479 1HE2 GLN 116 2HE2 GLN 116 -1.357 17.636 -6.729 480 2HE2 GLN 116 1HE2 GLN 116 -0.478 18.040 -8.167 481 H VAL 117 H VAL 117 -1.607 12.213 -2.970 482 HA VAL 117 HA VAL 117 -4.178 13.541 -3.258 483 HB VAL 117 HB VAL 117 -4.200 11.096 -2.901 484 1HG1 VAL 117 1HG1 VAL 117 -2.044 10.840 -1.686 485 2HG1 VAL 117 2HG1 VAL 117 -2.710 11.718 -0.254 486 3HG1 VAL 117 3HG1 VAL 117 -3.394 10.130 -0.741 487 1HG2 VAL 117 1HG2 VAL 117 -6.042 12.565 -2.020 488 2HG2 VAL 117 2HG2 VAL 117 -5.817 11.044 -1.077 489 3HG2 VAL 117 3HG2 VAL 117 -5.220 12.602 -0.411 490 H GLN 118 H GLN 118 -1.045 13.741 -2.082 491 HA GLN 118 HA GLN 118 -1.503 14.958 0.394 492 1HB GLN 118 1HB GLN 118 0.757 15.741 0.422 493 2HB GLN 118 2HB GLN 118 0.722 14.121 -0.342 494 1HG GLN 118 1HG GLN 118 2.243 15.274 -1.675 495 2HG GLN 118 2HG GLN 118 0.730 15.402 -2.646 496 1HE2 GLN 118 2HE2 GLN 118 0.760 17.360 -3.627 497 2HE2 GLN 118 1HE2 GLN 118 1.155 18.877 -2.889 No H/Q in entry = 497 Start of MODEL 13 1 H1 TRP 59 1H TRP 59 -1.447 -8.872 -1.701 2 H2 TRP 59 2H TRP 59 -0.804 -8.463 -0.184 3 H3 TRP 59 3H TRP 59 -2.435 -8.144 -0.527 4 HA TRP 59 HA TRP 59 -1.254 -6.194 -0.629 5 1HB TRP 59 1HB TRP 59 0.981 -7.385 -1.207 6 2HB TRP 59 2HB TRP 59 0.525 -7.316 -2.849 7 HD1 TRP 59 HD1 TRP 59 0.160 -3.761 -2.439 8 HE1 TRP 59 HE1 TRP 59 2.427 -2.616 -2.383 9 HE3 TRP 59 HE3 TRP 59 3.025 -7.878 -2.001 10 HZ2 TRP 59 HZ2 TRP 59 5.198 -3.487 -2.308 11 HZ3 TRP 59 HZ3 TRP 59 5.358 -7.664 -2.710 12 HH2 TRP 59 HH2 TRP 59 6.446 -5.492 -2.786 13 H ILE 60 H ILE 60 -3.358 -8.038 -1.324 14 HA ILE 60 HA ILE 60 -4.416 -6.517 -3.453 15 HB ILE 60 HB ILE 60 -5.835 -8.658 -4.076 16 1HG1 ILE 60 1HG1 ILE 60 -4.587 -10.241 -2.562 17 2HG1 ILE 60 2HG1 ILE 60 -4.601 -10.676 -4.308 18 1HG2 ILE 60 1HG2 ILE 60 -4.788 -7.063 -5.534 19 2HG2 ILE 60 2HG2 ILE 60 -3.147 -7.744 -5.246 20 3HG2 ILE 60 3HG2 ILE 60 -4.395 -8.733 -6.107 21 1HD1 ILE 60 1HD1 ILE 60 -2.203 -9.379 -4.263 22 2HD1 ILE 60 2HD1 ILE 60 -2.322 -9.842 -2.527 23 3HD1 ILE 60 3HD1 ILE 60 -2.371 -11.122 -3.782 24 H ALA 61 H ALA 61 -5.527 -9.291 -1.385 25 HA ALA 61 HA ALA 61 -8.091 -7.896 -1.114 26 1HB ALA 61 1HB ALA 61 -7.239 -10.801 -0.481 27 2HB ALA 61 3HB ALA 61 -8.170 -10.297 -1.942 28 3HB ALA 61 2HB ALA 61 -8.910 -10.144 -0.301 29 H ARG 62 H ARG 62 -5.224 -9.108 0.405 30 HA ARG 62 HA ARG 62 -5.842 -8.829 3.125 31 1HB ARG 62 1HB ARG 62 -3.329 -8.382 1.369 32 2HB ARG 62 2HB ARG 62 -3.258 -8.217 3.130 33 1HG ARG 62 1HG ARG 62 -4.533 -10.752 2.628 34 2HG ARG 62 2HG ARG 62 -3.289 -10.569 1.391 35 1HD ARG 62 1HD ARG 62 -2.363 -11.766 3.398 36 2HD ARG 62 2HD ARG 62 -1.493 -10.204 3.071 37 HE ARG 62 HE ARG 62 -3.585 -9.605 4.902 38 1HH1 ARG 62 1HH1 ARG 62 -2.989 -9.375 7.180 39 2HH1 ARG 62 2HH1 ARG 62 -1.570 -10.160 7.787 40 1HH2 ARG 62 1HH2 ARG 62 -0.658 -11.625 4.675 41 2HH2 ARG 62 2HH2 ARG 62 -0.226 -11.454 6.344 42 H ILE 63 H ILE 63 -4.865 -6.782 0.461 43 HA ILE 63 HA ILE 63 -4.125 -4.661 2.179 44 HB ILE 63 HB ILE 63 -3.365 -5.884 -0.134 45 1HG1 ILE 63 1HG1 ILE 63 -2.463 -3.582 1.509 46 2HG1 ILE 63 2HG1 ILE 63 -1.645 -5.108 0.914 47 1HG2 ILE 63 1HG2 ILE 63 -5.076 -4.697 -1.486 48 2HG2 ILE 63 2HG2 ILE 63 -4.238 -3.146 -1.091 49 3HG2 ILE 63 3HG2 ILE 63 -3.406 -4.491 -2.015 50 1HD1 ILE 63 1HD1 ILE 63 -1.482 -4.229 -1.329 51 2HD1 ILE 63 2HD1 ILE 63 -2.068 -2.590 -0.797 52 3HD1 ILE 63 3HD1 ILE 63 -0.521 -3.264 -0.148 53 H ASN 64 H ASN 64 -6.800 -5.600 0.120 54 HA ASN 64 HA ASN 64 -7.924 -3.047 -0.147 55 1HB ASN 64 1HB ASN 64 -8.561 -5.769 -0.815 56 2HB ASN 64 2HB ASN 64 -9.935 -5.184 0.175 57 1HD2 ASN 64 2HD2 ASN 64 -10.663 -2.817 -0.420 58 2HD2 ASN 64 1HD2 ASN 64 -10.806 -2.465 -2.110 59 H ALA 65 H ALA 65 -7.517 -5.250 2.499 60 HA ALA 65 HA ALA 65 -9.799 -4.107 3.955 61 1HB ALA 65 3HB ALA 65 -9.530 -6.053 5.500 62 2HB ALA 65 2HB ALA 65 -8.072 -6.583 4.577 63 3HB ALA 65 1HB ALA 65 -9.701 -6.641 3.802 64 H ALA 66 H ALA 66 -6.464 -3.705 3.536 65 HA ALA 66 HA ALA 66 -5.931 -3.347 6.369 66 1HB ALA 66 1HB ALA 66 -4.112 -3.057 3.901 67 2HB ALA 66 2HB ALA 66 -3.585 -2.912 5.620 68 3HB ALA 66 3HB ALA 66 -4.175 -4.494 4.989 69 H VAL 67 H VAL 67 -6.252 -1.571 3.287 70 HA VAL 67 HA VAL 67 -5.044 0.730 4.503 71 HB VAL 67 HB VAL 67 -5.015 1.715 2.294 72 1HG1 VAL 67 1HG1 VAL 67 -3.240 0.109 2.984 73 2HG1 VAL 67 2HG1 VAL 67 -4.159 -1.248 2.235 74 3HG1 VAL 67 3HG1 VAL 67 -3.539 0.085 1.201 75 1HG2 VAL 67 1HG2 VAL 67 -6.773 -0.718 1.525 76 2HG2 VAL 67 2HG2 VAL 67 -7.172 1.018 1.359 77 3HG2 VAL 67 3HG2 VAL 67 -5.886 0.302 0.337 78 H ARG 68 H ARG 68 -8.069 -0.463 4.640 79 HA ARG 68 HA ARG 68 -9.644 1.675 3.744 80 1HB ARG 68 1HB ARG 68 -11.482 0.505 4.954 81 2HB ARG 68 2HB ARG 68 -10.532 -0.605 3.910 82 1HG ARG 68 1HG ARG 68 -9.190 -1.321 5.938 83 2HG ARG 68 2HG ARG 68 -10.267 -0.325 6.971 84 1HD ARG 68 1HD ARG 68 -11.164 -2.649 5.147 85 2HD ARG 68 2HD ARG 68 -10.937 -2.764 6.940 86 HE ARG 68 HE ARG 68 -13.153 -1.409 5.486 87 1HH1 ARG 68 1HH1 ARG 68 -14.885 -0.573 6.808 88 2HH1 ARG 68 2HH1 ARG 68 -14.696 -0.463 8.527 89 1HH2 ARG 68 1HH2 ARG 68 -11.395 -1.777 8.582 90 2HH2 ARG 68 2HH2 ARG 68 -12.694 -1.155 9.544 91 H ALA 69 H ALA 69 -7.666 1.291 6.541 92 HA ALA 69 HA ALA 69 -9.265 2.715 8.369 93 1HB ALA 69 2HB ALA 69 -7.124 2.943 9.675 94 2HB ALA 69 1HB ALA 69 -6.205 2.335 8.244 95 3HB ALA 69 3HB ALA 69 -7.353 1.245 9.108 96 H TYR 70 H TYR 70 -6.834 3.570 5.874 97 HA TYR 70 HA TYR 70 -6.460 6.176 6.911 98 1HB TYR 70 1HB TYR 70 -5.755 4.990 4.145 99 2HB TYR 70 2HB TYR 70 -5.149 6.573 4.801 100 HD1 TYR 70 HD1 TYR 70 -3.960 6.484 7.071 101 HD2 TYR 70 HD2 TYR 70 -4.635 3.043 4.652 102 HE1 TYR 70 HE1 TYR 70 -2.204 5.279 8.294 103 HE2 TYR 70 HE2 TYR 70 -2.924 1.821 5.912 104 HH TYR 70 HH TYR 70 -1.074 3.373 8.536 105 H GLY 71 H GLY 71 -8.288 4.698 4.178 106 1HA GLY 71 2HA GLY 71 -9.272 7.371 3.519 107 2HA GLY 71 1HA GLY 71 -10.403 5.977 3.816 108 H LEU 72 H LEU 72 -7.356 4.977 2.694 109 HA LEU 72 HA LEU 72 -7.908 5.118 -0.122 110 1HB LEU 72 1HB LEU 72 -6.081 3.284 1.520 111 2HB LEU 72 2HB LEU 72 -6.051 3.416 -0.272 112 HG LEU 72 HG LEU 72 -5.407 5.704 1.692 113 1HD1 LEU 72 1HD1 LEU 72 -3.740 3.871 1.889 114 2HD1 LEU 72 2HD1 LEU 72 -3.495 3.886 0.101 115 3HD1 LEU 72 3HD1 LEU 72 -3.019 5.321 1.089 116 1HD2 LEU 72 1HD2 LEU 72 -6.244 6.455 -0.557 117 2HD2 LEU 72 2HD2 LEU 72 -4.502 6.859 -0.322 118 3HD2 LEU 72 3HD2 LEU 72 -4.982 5.450 -1.350 119 H ASN 73 H ASN 73 -8.365 3.311 -1.410 120 HA ASN 73 HA ASN 73 -9.733 1.240 0.045 121 1HB ASN 73 1HB ASN 73 -11.583 1.144 -1.594 122 2HB ASN 73 2HB ASN 73 -11.511 2.783 -0.854 123 1HD2 ASN 73 2HD2 ASN 73 -12.214 1.323 -3.616 124 2HD2 ASN 73 1HD2 ASN 73 -11.621 2.439 -4.801 125 H TYR 74 H TYR 74 -7.105 1.794 -1.309 126 HA TYR 74 HA TYR 74 -5.572 0.549 -2.132 127 1HB TYR 74 1HB TYR 74 -6.531 -1.587 -1.386 128 2HB TYR 74 2HB TYR 74 -7.619 -1.625 -2.827 129 HD1 TYR 74 HD1 TYR 74 -3.899 -0.966 -2.479 130 HD2 TYR 74 HD2 TYR 74 -7.035 -3.354 -4.091 131 HE1 TYR 74 HE1 TYR 74 -2.277 -2.140 -3.897 132 HE2 TYR 74 HE2 TYR 74 -5.408 -4.563 -5.463 133 HH TYR 74 HH TYR 74 -3.289 -4.757 -6.096 134 H SER 75 H SER 75 -8.299 1.725 -3.853 135 HA SER 75 HA SER 75 -7.177 1.082 -6.443 136 1HB SER 75 1HB SER 75 -9.500 2.944 -5.689 137 2HB SER 75 2HB SER 75 -9.002 2.527 -7.376 138 HG SER 75 HG SER 75 -9.542 0.445 -7.016 139 H THR 76 H THR 76 -7.229 3.698 -4.068 140 HA THR 76 HA THR 76 -6.189 5.585 -5.948 141 HB THR 76 HB THR 76 -5.907 6.845 -3.586 142 HG1 THR 76 HG1 THR 76 -7.362 5.991 -2.156 143 1HG2 THR 76 1HG2 THR 76 -8.603 6.141 -4.962 144 2HG2 THR 76 2HG2 THR 76 -8.319 7.548 -3.869 145 3HG2 THR 76 3HG2 THR 76 -7.482 7.461 -5.464 146 H PHE 77 H PHE 77 -5.137 3.422 -3.382 147 HA PHE 77 HA PHE 77 -2.508 4.247 -3.104 148 1HB PHE 77 1HB PHE 77 -3.802 2.396 -1.763 149 2HB PHE 77 2HB PHE 77 -3.511 1.314 -3.164 150 HD1 PHE 77 HD1 PHE 77 -1.416 3.747 -1.145 151 HD2 PHE 77 HD2 PHE 77 -1.821 -0.154 -2.832 152 HE1 PHE 77 HE1 PHE 77 0.750 3.104 -0.204 153 HE2 PHE 77 HE2 PHE 77 0.321 -0.803 -1.851 154 HZ PHE 77 HZ PHE 77 1.620 0.823 -0.542 155 H ILE 78 H ILE 78 -4.201 2.004 -5.256 156 HA ILE 78 HA ILE 78 -2.125 0.989 -6.656 157 HB ILE 78 HB ILE 78 -4.992 0.987 -6.894 158 1HG1 ILE 78 1HG1 ILE 78 -2.826 -0.800 -8.111 159 2HG1 ILE 78 2HG1 ILE 78 -3.270 -0.844 -6.370 160 1HG2 ILE 78 1HG2 ILE 78 -3.528 1.060 -9.613 161 2HG2 ILE 78 2HG2 ILE 78 -5.223 0.555 -9.328 162 3HG2 ILE 78 3HG2 ILE 78 -4.773 2.249 -9.035 163 1HD1 ILE 78 1HD1 ILE 78 -5.625 -1.464 -6.964 164 2HD1 ILE 78 2HD1 ILE 78 -5.179 -1.512 -8.713 165 3HD1 ILE 78 3HD1 ILE 78 -4.430 -2.672 -7.562 166 H ASN 79 H ASN 79 -3.926 4.024 -7.181 167 HA ASN 79 HA ASN 79 -2.946 4.377 -9.749 168 1HB ASN 79 1HB ASN 79 -3.702 6.578 -9.795 169 2HB ASN 79 2HB ASN 79 -4.935 5.583 -8.889 170 1HD2 ASN 79 2HD2 ASN 79 -6.063 6.885 -7.722 171 2HD2 ASN 79 1HD2 ASN 79 -5.473 8.168 -6.717 172 H GLY 80 H GLY 80 -2.040 5.587 -6.712 173 1HA GLY 80 2HA GLY 80 -0.099 6.616 -5.951 174 2HA GLY 80 1HA GLY 80 0.065 7.183 -7.638 175 H LEU 81 H LEU 81 0.079 3.705 -6.828 176 HA LEU 81 HA LEU 81 2.911 3.553 -6.820 177 1HB LEU 81 1HB LEU 81 1.564 1.197 -8.025 178 2HB LEU 81 2HB LEU 81 2.881 1.259 -6.830 179 HG LEU 81 HG LEU 81 -0.039 1.869 -6.263 180 1HD1 LEU 81 1HD1 LEU 81 0.843 -0.658 -6.703 181 2HD1 LEU 81 2HD1 LEU 81 1.251 -0.489 -4.939 182 3HD1 LEU 81 3HD1 LEU 81 -0.438 -0.260 -5.477 183 1HD2 LEU 81 1HD2 LEU 81 1.518 3.080 -4.694 184 2HD2 LEU 81 2HD2 LEU 81 0.575 1.821 -3.837 185 3HD2 LEU 81 3HD2 LEU 81 2.299 1.517 -4.268 186 H LYS 82 H LYS 82 0.421 3.447 -9.379 187 HA LYS 82 HA LYS 82 2.311 2.651 -11.365 188 1HB LYS 82 1HB LYS 82 -0.505 3.867 -11.582 189 2HB LYS 82 2HB LYS 82 0.439 3.260 -12.986 190 1HG LYS 82 1HG LYS 82 -0.462 1.519 -10.601 191 2HG LYS 82 2HG LYS 82 -1.334 1.678 -12.162 192 1HD LYS 82 1HD LYS 82 0.672 0.790 -13.372 193 2HD LYS 82 2HD LYS 82 1.521 0.570 -11.799 194 1HE LYS 82 1HE LYS 82 -0.237 -1.048 -11.054 195 2HE LYS 82 2HE LYS 82 -1.124 -0.810 -12.618 196 1HZ LYS 82 1HZ LYS 82 0.815 -1.615 -13.778 197 2HZ LYS 82 2HZ LYS 82 1.648 -1.844 -12.315 198 3HZ LYS 82 3HZ LYS 82 0.255 -2.758 -12.653 199 H LYS 83 H LYS 83 1.398 5.590 -9.798 200 HA LYS 83 HA LYS 83 2.060 7.330 -11.937 201 1HB LYS 83 1HB LYS 83 0.543 7.841 -9.836 202 2HB LYS 83 2HB LYS 83 2.060 7.943 -8.910 203 1HG LYS 83 1HG LYS 83 1.379 10.179 -9.489 204 2HG LYS 83 2HG LYS 83 2.817 9.812 -10.500 205 1HD LYS 83 1HD LYS 83 1.319 9.386 -12.461 206 2HD LYS 83 2HD LYS 83 -0.128 9.568 -11.405 207 1HE LYS 83 1HE LYS 83 0.240 11.636 -12.735 208 2HE LYS 83 2HE LYS 83 0.509 11.978 -10.974 209 1HZ LYS 83 1HZ LYS 83 2.614 11.419 -12.999 210 2HZ LYS 83 2HZ LYS 83 2.205 12.938 -12.358 211 3HZ LYS 83 3HZ LYS 83 2.868 11.743 -11.350 212 H ALA 84 H ALA 84 3.560 5.685 -9.208 213 HA ALA 84 HA ALA 84 6.038 7.040 -9.342 214 1HB ALA 84 1HB ALA 84 5.169 5.830 -7.263 215 2HB ALA 84 3HB ALA 84 6.811 5.278 -7.773 216 3HB ALA 84 2HB ALA 84 5.353 4.280 -8.135 217 H GLY 85 H GLY 85 4.579 4.056 -10.681 218 1HA GLY 85 2HA GLY 85 6.747 3.916 -12.606 219 2HA GLY 85 1HA GLY 85 5.112 3.131 -12.671 220 H ILE 86 H ILE 86 5.012 2.192 -10.058 221 HA ILE 86 HA ILE 86 7.189 0.229 -9.935 222 HB ILE 86 HB ILE 86 5.723 1.778 -7.738 223 1HG1 ILE 86 1HG1 ILE 86 8.695 1.696 -8.576 224 2HG1 ILE 86 2HG1 ILE 86 7.554 3.052 -8.859 225 1HG2 ILE 86 1HG2 ILE 86 6.032 -0.614 -7.063 226 2HG2 ILE 86 2HG2 ILE 86 7.786 -0.509 -7.471 227 3HG2 ILE 86 3HG2 ILE 86 7.081 0.466 -6.119 228 1HD1 ILE 86 1HD1 ILE 86 7.279 3.294 -6.338 229 2HD1 ILE 86 2HD1 ILE 86 8.587 2.069 -6.124 230 3HD1 ILE 86 3HD1 ILE 86 8.943 3.627 -6.948 231 H GLU 87 H GLU 87 6.444 -1.861 -9.981 232 HA GLU 87 HA GLU 87 3.575 -2.273 -9.675 233 1HB GLU 87 1HB GLU 87 4.727 -3.446 -11.585 234 2HB GLU 87 2HB GLU 87 5.813 -4.250 -10.401 235 1HG GLU 87 1HG GLU 87 3.828 -5.424 -9.378 236 2HG GLU 87 2HG GLU 87 2.734 -4.555 -10.528 237 H LEU 88 H LEU 88 2.927 -2.459 -7.605 238 HA LEU 88 HA LEU 88 4.818 -3.657 -5.720 239 1HB LEU 88 1HB LEU 88 4.246 -0.976 -6.025 240 2HB LEU 88 2HB LEU 88 2.919 -1.417 -4.928 241 HG LEU 88 HG LEU 88 4.367 -1.990 -3.177 242 1HD1 LEU 88 1HD1 LEU 88 6.792 -1.475 -5.038 243 2HD1 LEU 88 2HD1 LEU 88 6.877 -1.748 -3.265 244 3HD1 LEU 88 3HD1 LEU 88 6.313 -3.064 -4.349 245 1HD2 LEU 88 1HD2 LEU 88 3.810 0.328 -3.313 246 2HD2 LEU 88 2HD2 LEU 88 5.480 0.142 -2.681 247 3HD2 LEU 88 3HD2 LEU 88 5.223 0.674 -4.393 248 H ASP 89 H ASP 89 3.747 -5.726 -5.719 249 HA ASP 89 HA ASP 89 1.919 -6.423 -3.892 250 1HB ASP 89 1HB ASP 89 -0.193 -6.920 -5.026 251 2HB ASP 89 2HB ASP 89 0.000 -5.163 -4.818 252 H ARG 90 H ARG 90 2.376 -8.320 -3.570 253 HA ARG 90 HA ARG 90 0.119 -8.994 -4.294 254 1HB ARG 90 1HB ARG 90 0.864 -9.862 -6.620 255 2HB ARG 90 2HB ARG 90 2.001 -10.986 -5.809 256 1HG ARG 90 1HG ARG 90 -0.020 -12.179 -4.803 257 2HG ARG 90 2HG ARG 90 -1.082 -11.052 -5.723 258 1HD ARG 90 1HD ARG 90 -0.122 -11.879 -7.879 259 2HD ARG 90 2HD ARG 90 1.015 -12.961 -6.960 260 HE ARG 90 HE ARG 90 -1.696 -13.490 -6.117 261 1HH1 ARG 90 1HH1 ARG 90 -2.691 -15.463 -6.961 262 2HH1 ARG 90 2HH1 ARG 90 -2.058 -16.209 -8.390 263 1HH2 ARG 90 1HH2 ARG 90 0.529 -13.815 -8.882 264 2HH2 ARG 90 2HH2 ARG 90 -0.203 -15.261 -9.498 265 H LYS 91 H LYS 91 0.564 -8.889 -2.033 266 HA LYS 91 HA LYS 91 0.379 -9.697 -0.235 267 1HB LYS 91 1HB LYS 91 -0.891 -11.221 -1.685 268 2HB LYS 91 2HB LYS 91 0.321 -12.518 -1.352 269 1HG LYS 91 1HG LYS 91 -0.253 -12.388 1.083 270 2HG LYS 91 2HG LYS 91 -1.226 -10.907 0.769 271 1HD LYS 91 1HD LYS 91 -1.913 -13.740 -0.257 272 2HD LYS 91 2HD LYS 91 -2.675 -12.878 1.122 273 1HE LYS 91 1HE LYS 91 -3.299 -10.986 -0.646 274 2HE LYS 91 2HE LYS 91 -2.909 -12.241 -1.874 275 1HZ LYS 91 1HZ LYS 91 -4.495 -13.708 -0.827 276 2HZ LYS 91 2HZ LYS 91 -4.856 -12.539 0.350 277 3HZ LYS 91 3HZ LYS 91 -5.221 -12.240 -1.283 278 H ILE 92 H ILE 92 2.400 -8.701 -0.019 279 HA ILE 92 HA ILE 92 4.256 -10.400 1.372 280 HB ILE 92 HB ILE 92 5.079 -8.508 -0.844 281 1HG1 ILE 92 1HG1 ILE 92 4.739 -11.527 -1.070 282 2HG1 ILE 92 2HG1 ILE 92 4.040 -10.219 -2.075 283 1HG2 ILE 92 1HG2 ILE 92 6.811 -8.838 0.975 284 2HG2 ILE 92 2HG2 ILE 92 6.710 -10.621 0.743 285 3HG2 ILE 92 3HG2 ILE 92 7.392 -9.555 -0.542 286 1HD1 ILE 92 1HD1 ILE 92 6.354 -9.687 -2.960 287 2HD1 ILE 92 2HD1 ILE 92 6.976 -11.138 -2.082 288 3HD1 ILE 92 3HD1 ILE 92 5.746 -11.332 -3.378 289 H LEU 93 H LEU 93 3.148 -7.115 0.257 290 HA LEU 93 HA LEU 93 4.680 -5.865 2.447 291 1HB LEU 93 1HB LEU 93 4.725 -4.876 0.168 292 2HB LEU 93 2HB LEU 93 3.028 -5.141 0.161 293 HG LEU 93 HG LEU 93 3.669 -3.141 2.222 294 1HD1 LEU 93 1HD1 LEU 93 5.284 -2.565 0.481 295 2HD1 LEU 93 2HD1 LEU 93 3.931 -2.301 -0.696 296 3HD1 LEU 93 3HD1 LEU 93 4.025 -1.301 0.801 297 1HD2 LEU 93 1HD2 LEU 93 1.395 -3.882 0.462 298 2HD2 LEU 93 2HD2 LEU 93 1.404 -2.960 1.995 299 3HD2 LEU 93 3HD2 LEU 93 1.728 -2.110 0.433 300 H ALA 94 H ALA 94 1.706 -6.517 0.918 301 HA ALA 94 HA ALA 94 -0.466 -5.996 2.064 302 1HB ALA 94 1HB ALA 94 0.557 -7.814 0.477 303 2HB ALA 94 2HB ALA 94 1.013 -8.738 1.967 304 3HB ALA 94 3HB ALA 94 -0.731 -8.486 1.628 305 H ASP 95 H ASP 95 2.030 -8.000 3.335 306 HA ASP 95 HA ASP 95 0.499 -8.767 5.576 307 1HB ASP 95 1HB ASP 95 2.315 -10.238 6.015 308 2HB ASP 95 2HB ASP 95 1.916 -10.271 4.262 309 H MET 96 H MET 96 3.251 -6.929 4.672 310 HA MET 96 HA MET 96 3.879 -5.956 7.261 311 1HB MET 96 1HB MET 96 5.770 -5.540 6.229 312 2HB MET 96 2HB MET 96 4.959 -5.743 4.663 313 1HG MET 96 1HG MET 96 4.283 -3.257 4.775 314 2HG MET 96 2HG MET 96 5.554 -3.148 6.018 315 1HE MET 96 1HE MET 96 5.385 -1.812 3.051 316 2HE MET 96 2HE MET 96 7.004 -1.476 3.764 317 3HE MET 96 3HE MET 96 6.884 -2.178 2.129 318 H ALA 97 H ALA 97 1.180 -5.130 5.333 319 HA ALA 97 HA ALA 97 0.981 -2.428 6.128 320 1HB ALA 97 1HB ALA 97 -0.332 -3.367 4.181 321 2HB ALA 97 2HB ALA 97 -1.274 -4.361 5.358 322 3HB ALA 97 3HB ALA 97 -1.375 -2.559 5.411 323 H VAL 98 H VAL 98 0.237 -5.540 7.497 324 HA VAL 98 HA VAL 98 -1.287 -4.345 9.653 325 HB VAL 98 HB VAL 98 -0.619 -7.296 9.175 326 1HG1 VAL 98 1HG1 VAL 98 -2.781 -5.813 10.825 327 2HG1 VAL 98 2HG1 VAL 98 -2.663 -7.601 10.623 328 3HG1 VAL 98 3HG1 VAL 98 -1.366 -6.711 11.495 329 1HG2 VAL 98 1HG2 VAL 98 -2.961 -5.581 8.120 330 2HG2 VAL 98 2HG2 VAL 98 -1.755 -6.516 7.147 331 3HG2 VAL 98 3HG2 VAL 98 -2.955 -7.381 8.161 332 H ARG 99 H ARG 99 1.594 -6.449 9.019 333 HA ARG 99 HA ARG 99 1.997 -6.577 11.827 334 1HB ARG 99 1HB ARG 99 3.601 -8.353 11.343 335 2HB ARG 99 2HB ARG 99 2.000 -8.608 10.540 336 1HG ARG 99 1HG ARG 99 3.505 -7.327 8.576 337 2HG ARG 99 2HG ARG 99 4.723 -8.359 9.377 338 1HD ARG 99 1HD ARG 99 2.039 -9.313 8.071 339 2HD ARG 99 2HD ARG 99 3.658 -9.537 7.427 340 HE ARG 99 HE ARG 99 4.006 -10.697 9.892 341 1HH1 ARG 99 1HH1 ARG 99 3.450 -12.890 10.467 342 2HH1 ARG 99 2HH1 ARG 99 2.153 -13.702 9.657 343 1HH2 ARG 99 1HH2 ARG 99 1.340 -10.979 7.523 344 2HH2 ARG 99 2HH2 ARG 99 0.942 -12.605 7.969 345 H ASP 100 H ASP 100 3.609 -5.065 9.100 346 HA ASP 100 HA ASP 100 5.547 -3.927 10.975 347 1HB ASP 100 1HB ASP 100 6.365 -5.572 9.042 348 2HB ASP 100 2HB ASP 100 6.101 -4.215 7.987 349 HA PRO 101 HA PRO 101 2.942 -0.891 8.688 350 1HB PRO 101 1HB PRO 101 1.887 0.594 10.806 351 2HB PRO 101 2HB PRO 101 1.202 -1.005 10.299 352 1HG PRO 101 1HG PRO 101 3.200 -0.443 12.551 353 2HG PRO 101 2HG PRO 101 1.702 -1.471 12.606 354 1HD PRO 101 1HD PRO 101 4.287 -2.510 12.125 355 2HD PRO 101 2HD PRO 101 2.820 -3.245 11.319 356 H GLN 102 H GLN 102 5.759 -0.738 10.535 357 HA GLN 102 HA GLN 102 6.138 2.092 10.405 358 1HB GLN 102 1HB GLN 102 7.377 0.618 12.051 359 2HB GLN 102 2HB GLN 102 8.131 -0.242 10.667 360 1HG GLN 102 1HG GLN 102 9.321 1.867 9.996 361 2HG GLN 102 2HG GLN 102 8.488 2.762 11.330 362 1HE2 GLN 102 2HE2 GLN 102 10.437 -0.259 10.735 363 2HE2 GLN 102 1HE2 GLN 102 11.357 -0.184 12.200 364 H ALA 103 H ALA 103 6.816 -0.890 8.455 365 HA ALA 103 HA ALA 103 8.419 0.631 6.624 366 1HB ALA 103 1HB ALA 103 7.464 -2.299 6.598 367 2HB ALA 103 3HB ALA 103 9.090 -1.729 7.123 368 3HB ALA 103 2HB ALA 103 8.595 -1.566 5.396 369 H PHE 104 H PHE 104 5.206 -1.130 6.811 370 HA PHE 104 HA PHE 104 4.424 -0.323 4.318 371 1HB PHE 104 1HB PHE 104 2.938 -1.666 5.820 372 2HB PHE 104 2HB PHE 104 2.576 -0.150 6.755 373 HD1 PHE 104 HD1 PHE 104 0.435 0.449 6.315 374 HD2 PHE 104 HD2 PHE 104 2.822 -0.892 3.036 375 HE1 PHE 104 HE1 PHE 104 -1.396 0.933 4.753 376 HE2 PHE 104 HE2 PHE 104 1.017 -0.322 1.496 377 HZ PHE 104 HZ PHE 104 -1.102 0.568 2.337 378 H GLU 105 H GLU 105 4.428 1.835 7.255 379 HA GLU 105 HA GLU 105 3.033 3.852 5.901 380 1HB GLU 105 1HB GLU 105 4.796 3.805 8.362 381 2HB GLU 105 2HB GLU 105 4.377 5.389 7.644 382 1HG GLU 105 1HG GLU 105 2.242 3.306 8.428 383 2HG GLU 105 2HG GLU 105 2.841 4.593 9.543 384 H GLN 106 H GLN 106 6.439 2.881 5.766 385 HA GLN 106 HA GLN 106 7.328 5.399 4.798 386 1HB GLN 106 1HB GLN 106 8.445 2.545 4.561 387 2HB GLN 106 2HB GLN 106 9.199 3.933 3.742 388 1HG GLN 106 1HG GLN 106 8.784 3.674 6.803 389 2HG GLN 106 2HG GLN 106 10.332 3.375 5.922 390 1HE2 GLN 106 2HE2 GLN 106 8.610 5.633 7.699 391 2HE2 GLN 106 1HE2 GLN 106 9.333 7.101 7.129 392 H VAL 107 H VAL 107 6.006 2.442 3.344 393 HA VAL 107 HA VAL 107 6.639 3.194 0.673 394 HB VAL 107 HB VAL 107 4.597 1.250 1.835 395 1HG1 VAL 107 1HG1 VAL 107 5.057 2.013 -1.130 396 2HG1 VAL 107 2HG1 VAL 107 4.231 0.512 -0.582 397 3HG1 VAL 107 3HG1 VAL 107 3.497 2.101 -0.217 398 1HG2 VAL 107 1HG2 VAL 107 7.156 1.009 0.111 399 2HG2 VAL 107 2HG2 VAL 107 7.017 0.609 1.874 400 3HG2 VAL 107 3HG2 VAL 107 6.130 -0.367 0.632 401 H VAL 108 H VAL 108 3.879 3.669 2.844 402 HA VAL 108 HA VAL 108 2.133 4.780 0.996 403 HB VAL 108 HB VAL 108 2.515 4.899 4.009 404 1HG1 VAL 108 1HG1 VAL 108 0.371 6.390 2.378 405 2HG1 VAL 108 2HG1 VAL 108 0.247 6.006 4.141 406 3HG1 VAL 108 3HG1 VAL 108 1.558 7.086 3.565 407 1HG2 VAL 108 1HG2 VAL 108 1.709 2.802 2.866 408 2HG2 VAL 108 2HG2 VAL 108 0.455 3.512 3.949 409 3HG2 VAL 108 3HG2 VAL 108 0.334 3.729 2.160 410 H ASN 109 H ASN 109 4.634 6.270 3.104 411 HA ASN 109 HA ASN 109 3.913 8.900 2.441 412 1HB ASN 109 1HB ASN 109 6.693 7.810 3.233 413 2HB ASN 109 2HB ASN 109 6.254 9.557 3.160 414 1HD2 ASN 109 2HD2 ASN 109 3.567 9.358 4.258 415 2HD2 ASN 109 1HD2 ASN 109 3.712 8.969 5.940 416 H LYS 110 H LYS 110 6.084 6.523 0.914 417 HA LYS 110 HA LYS 110 7.363 8.371 -0.752 418 1HB LYS 110 1HB LYS 110 8.250 6.094 -0.083 419 2HB LYS 110 2HB LYS 110 6.981 5.341 -1.110 420 1HG LYS 110 1HG LYS 110 7.993 6.390 -3.141 421 2HG LYS 110 2HG LYS 110 9.202 7.232 -2.104 422 1HD LYS 110 1HD LYS 110 10.123 5.019 -1.391 423 2HD LYS 110 2HD LYS 110 8.857 4.174 -2.350 424 1HE LYS 110 1HE LYS 110 11.023 4.189 -3.582 425 2HE LYS 110 2HE LYS 110 9.797 5.184 -4.468 426 1HZ LYS 110 1HZ LYS 110 11.904 6.212 -2.638 427 2HZ LYS 110 2HZ LYS 110 11.927 6.266 -4.336 428 3HZ LYS 110 3HZ LYS 110 10.758 7.148 -3.474 429 H VAL 111 H VAL 111 4.354 6.508 -1.010 430 HA VAL 111 HA VAL 111 4.119 7.072 -3.855 431 HB VAL 111 HB VAL 111 2.683 5.405 -1.695 432 1HG1 VAL 111 1HG1 VAL 111 1.568 5.916 -4.525 433 2HG1 VAL 111 2HG1 VAL 111 0.983 4.657 -3.382 434 3HG1 VAL 111 3HG1 VAL 111 0.771 6.387 -2.968 435 1HG2 VAL 111 1HG2 VAL 111 4.709 4.499 -3.004 436 2HG2 VAL 111 2HG2 VAL 111 3.200 3.527 -3.210 437 3HG2 VAL 111 3HG2 VAL 111 3.709 4.656 -4.513 438 H LYS 112 H LYS 112 3.130 8.507 -0.866 439 HA LYS 112 HA LYS 112 1.083 9.908 -2.389 440 1HB LYS 112 1HB LYS 112 1.873 9.791 0.512 441 2HB LYS 112 2HB LYS 112 1.155 11.321 -0.103 442 1HG LYS 112 1HG LYS 112 -0.580 9.768 0.831 443 2HG LYS 112 2HG LYS 112 -0.838 10.241 -0.885 444 1HD LYS 112 1HD LYS 112 0.126 8.026 -1.629 445 2HD LYS 112 2HD LYS 112 0.326 7.560 0.092 446 1HE LYS 112 1HE LYS 112 -1.720 6.528 -0.840 447 2HE LYS 112 2HE LYS 112 -2.214 7.781 0.371 448 1HZ LYS 112 1HZ LYS 112 -2.090 8.143 -2.580 449 2HZ LYS 112 2HZ LYS 112 -3.492 7.899 -1.654 450 3HZ LYS 112 3HZ LYS 112 -2.571 9.310 -1.446 451 H GLU 113 H GLU 113 4.423 9.906 -2.085 452 HA GLU 113 HA GLU 113 4.597 12.787 -2.453 453 1HB GLU 113 1HB GLU 113 6.139 11.385 -1.003 454 2HB GLU 113 2HB GLU 113 6.724 10.544 -2.451 455 1HG GLU 113 1HG GLU 113 7.656 12.575 -3.432 456 2HG GLU 113 2HG GLU 113 6.970 13.592 -2.106 457 H ALA 114 H ALA 114 4.728 9.662 -3.857 458 HA ALA 114 HA ALA 114 6.083 10.477 -6.297 459 1HB ALA 114 1HB ALA 114 4.464 7.901 -5.798 460 2HB ALA 114 3HB ALA 114 6.251 8.053 -5.562 461 3HB ALA 114 2HB ALA 114 5.537 8.220 -7.208 462 H LEU 115 H LEU 115 2.954 10.247 -4.974 463 HA LEU 115 HA LEU 115 1.457 10.678 -7.456 464 1HB LEU 115 1HB LEU 115 0.484 9.181 -5.728 465 2HB LEU 115 2HB LEU 115 0.624 10.532 -4.542 466 HG LEU 115 HG LEU 115 -0.764 11.919 -5.958 467 1HD1 LEU 115 1HD1 LEU 115 -1.123 9.443 -7.747 468 2HD1 LEU 115 2HD1 LEU 115 -2.257 10.848 -7.764 469 3HD1 LEU 115 3HD1 LEU 115 -0.535 11.080 -8.218 470 1HD2 LEU 115 1HD2 LEU 115 -1.760 10.580 -4.073 471 2HD2 LEU 115 2HD2 LEU 115 -2.969 10.774 -5.400 472 3HD2 LEU 115 3HD2 LEU 115 -2.087 9.214 -5.201 473 H GLN 116 H GLN 116 2.845 12.025 -4.614 474 HA GLN 116 HA GLN 116 3.258 14.118 -3.968 475 1HB GLN 116 1HB GLN 116 4.245 14.235 -6.378 476 2HB GLN 116 2HB GLN 116 2.773 15.157 -6.800 477 1HG GLN 116 1HG GLN 116 4.519 16.762 -6.364 478 2HG GLN 116 2HG GLN 116 3.435 16.838 -4.923 479 1HE2 GLN 116 2HE2 GLN 116 6.493 15.463 -6.250 480 2HE2 GLN 116 1HE2 GLN 116 7.309 15.265 -4.735 481 H VAL 117 H VAL 117 0.891 13.296 -3.280 482 HA VAL 117 HA VAL 117 -0.888 15.601 -3.621 483 HB VAL 117 HB VAL 117 -1.276 12.646 -3.121 484 1HG1 VAL 117 1HG1 VAL 117 -3.213 14.811 -2.058 485 2HG1 VAL 117 2HG1 VAL 117 -3.611 13.066 -2.264 486 3HG1 VAL 117 3HG1 VAL 117 -2.353 13.552 -1.081 487 1HG2 VAL 117 1HG2 VAL 117 -1.608 13.775 -5.375 488 2HG2 VAL 117 2HG2 VAL 117 -3.143 13.061 -4.743 489 3HG2 VAL 117 3HG2 VAL 117 -2.860 14.838 -4.640 490 H GLN 118 H GLN 118 1.542 13.968 -1.920 491 HA GLN 118 HA GLN 118 0.836 14.176 0.653 492 1HB GLN 118 1HB GLN 118 3.083 14.326 1.425 493 2HB GLN 118 2HB GLN 118 2.923 13.103 0.115 494 1HG GLN 118 1HG GLN 118 4.005 14.625 -1.501 495 2HG GLN 118 2HG GLN 118 3.996 15.984 -0.319 496 1HE2 GLN 118 2HE2 GLN 118 4.569 12.751 0.992 497 2HE2 GLN 118 1HE2 GLN 118 6.268 12.940 1.272 No H/Q in entry = 497 Start of MODEL 14 1 H1 TRP 59 1H TRP 59 -3.317 -9.444 0.052 2 H2 TRP 59 2H TRP 59 -2.840 -10.198 -1.392 3 H3 TRP 59 3H TRP 59 -1.689 -9.408 -0.425 4 HA TRP 59 HA TRP 59 -2.715 -7.370 -0.775 5 1HB TRP 59 1HB TRP 59 -1.132 -7.236 -2.306 6 2HB TRP 59 2HB TRP 59 -1.352 -8.927 -2.746 7 HD1 TRP 59 HD1 TRP 59 -1.800 -5.404 -4.141 8 HE1 TRP 59 HE1 TRP 59 -2.685 -5.577 -6.533 9 HE3 TRP 59 HE3 TRP 59 -3.146 -10.289 -4.092 10 HZ2 TRP 59 HZ2 TRP 59 -3.808 -7.569 -8.199 11 HZ3 TRP 59 HZ3 TRP 59 -4.153 -11.269 -6.104 12 HH2 TRP 59 HH2 TRP 59 -4.475 -9.934 -8.127 13 H ILE 60 H ILE 60 -4.900 -8.754 0.056 14 HA ILE 60 HA ILE 60 -6.528 -7.369 -1.668 15 HB ILE 60 HB ILE 60 -8.342 -9.487 -1.212 16 1HG1 ILE 60 1HG1 ILE 60 -7.245 -11.414 -2.383 17 2HG1 ILE 60 2HG1 ILE 60 -5.661 -10.577 -2.292 18 1HG2 ILE 60 1HG2 ILE 60 -8.268 -7.872 -3.117 19 2HG2 ILE 60 2HG2 ILE 60 -6.843 -8.746 -3.801 20 3HG2 ILE 60 3HG2 ILE 60 -8.427 -9.587 -3.655 21 1HD1 ILE 60 1HD1 ILE 60 -5.880 -10.519 0.212 22 2HD1 ILE 60 2HD1 ILE 60 -7.417 -11.443 0.094 23 3HD1 ILE 60 3HD1 ILE 60 -5.857 -12.215 -0.430 24 H ALA 61 H ALA 61 -7.358 -9.591 1.083 25 HA ALA 61 HA ALA 61 -9.251 -7.619 1.877 26 1HB ALA 61 1HB ALA 61 -8.217 -10.115 3.368 27 2HB ALA 61 3HB ALA 61 -9.677 -10.071 2.309 28 3HB ALA 61 2HB ALA 61 -9.650 -9.127 3.846 29 H ARG 62 H ARG 62 -6.005 -8.689 2.736 30 HA ARG 62 HA ARG 62 -5.765 -7.150 5.094 31 1HB ARG 62 1HB ARG 62 -3.206 -7.519 4.450 32 2HB ARG 62 2HB ARG 62 -4.198 -8.910 5.009 33 1HG ARG 62 1HG ARG 62 -4.532 -9.732 2.741 34 2HG ARG 62 2HG ARG 62 -3.806 -8.255 2.021 35 1HD ARG 62 1HD ARG 62 -2.206 -10.149 1.941 36 2HD ARG 62 2HD ARG 62 -1.591 -8.858 3.063 37 HE ARG 62 HE ARG 62 -3.123 -10.735 4.595 38 1HH1 ARG 62 1HH1 ARG 62 -1.934 -12.323 5.859 39 2HH1 ARG 62 2HH1 ARG 62 -0.295 -12.712 5.449 40 1HH2 ARG 62 1HH2 ARG 62 -0.125 -10.487 2.676 41 2HH2 ARG 62 2HH2 ARG 62 0.747 -11.656 3.611 42 H ILE 63 H ILE 63 -5.453 -6.559 1.635 43 HA ILE 63 HA ILE 63 -3.742 -4.317 2.086 44 HB ILE 63 HB ILE 63 -4.011 -6.233 0.199 45 1HG1 ILE 63 1HG1 ILE 63 -2.529 -3.603 0.409 46 2HG1 ILE 63 2HG1 ILE 63 -1.959 -5.291 0.690 47 1HG2 ILE 63 1HG2 ILE 63 -5.955 -5.067 -0.904 48 2HG2 ILE 63 2HG2 ILE 63 -4.825 -3.685 -1.250 49 3HG2 ILE 63 3HG2 ILE 63 -4.525 -5.330 -1.953 50 1HD1 ILE 63 1HD1 ILE 63 -2.602 -5.539 -1.929 51 2HD1 ILE 63 2HD1 ILE 63 -2.230 -3.782 -1.938 52 3HD1 ILE 63 3HD1 ILE 63 -0.983 -4.998 -1.407 53 H ASN 64 H ASN 64 -7.113 -4.931 1.824 54 HA ASN 64 HA ASN 64 -7.741 -2.301 0.834 55 1HB ASN 64 1HB ASN 64 -9.073 -4.672 0.699 56 2HB ASN 64 2HB ASN 64 -9.693 -4.167 2.293 57 1HD2 ASN 64 2HD2 ASN 64 -11.750 -4.328 0.887 58 2HD2 ASN 64 1HD2 ASN 64 -12.287 -2.887 0.091 59 H ALA 65 H ALA 65 -7.027 -4.107 3.584 60 HA ALA 65 HA ALA 65 -8.748 -2.629 5.381 61 1HB ALA 65 2HB ALA 65 -7.739 -4.031 7.222 62 2HB ALA 65 3HB ALA 65 -8.354 -5.053 5.873 63 3HB ALA 65 1HB ALA 65 -6.584 -4.727 6.025 64 H ALA 66 H ALA 66 -5.499 -2.345 4.183 65 HA ALA 66 HA ALA 66 -4.615 -0.954 6.561 66 1HB ALA 66 2HB ALA 66 -3.220 -1.419 3.858 67 2HB ALA 66 3HB ALA 66 -2.450 -0.788 5.369 68 3HB ALA 66 1HB ALA 66 -3.050 -2.487 5.302 69 H VAL 67 H VAL 67 -5.873 -0.367 3.308 70 HA VAL 67 HA VAL 67 -4.651 2.220 3.196 71 HB VAL 67 HB VAL 67 -5.556 2.277 0.894 72 1HG1 VAL 67 1HG1 VAL 67 -4.040 -0.279 1.728 73 2HG1 VAL 67 2HG1 VAL 67 -4.218 0.345 0.054 74 3HG1 VAL 67 3HG1 VAL 67 -3.338 1.325 1.292 75 1HG2 VAL 67 1HG2 VAL 67 -6.785 -0.431 1.703 76 2HG2 VAL 67 2HG2 VAL 67 -7.686 1.043 1.194 77 3HG2 VAL 67 3HG2 VAL 67 -6.643 0.166 0.024 78 H ARG 68 H ARG 68 -7.599 0.915 4.332 79 HA ARG 68 HA ARG 68 -9.350 2.781 3.197 80 1HB ARG 68 1HB ARG 68 -11.040 1.801 4.760 81 2HB ARG 68 2HB ARG 68 -10.112 0.558 3.867 82 1HG ARG 68 1HG ARG 68 -8.599 0.303 5.887 83 2HG ARG 68 2HG ARG 68 -9.668 1.429 6.793 84 1HD ARG 68 1HD ARG 68 -11.592 -0.167 6.496 85 2HD ARG 68 2HD ARG 68 -10.502 -1.255 5.520 86 HE ARG 68 HE ARG 68 -9.287 -0.615 8.079 87 1HH1 ARG 68 1HH1 ARG 68 -9.133 -2.390 9.602 88 2HH1 ARG 68 2HH1 ARG 68 -10.161 -3.774 9.436 89 1HH2 ARG 68 1HH2 ARG 68 -11.845 -2.568 6.540 90 2HH2 ARG 68 2HH2 ARG 68 -11.725 -3.875 7.670 91 H ALA 69 H ALA 69 -7.113 3.102 5.773 92 HA ALA 69 HA ALA 69 -8.632 4.804 7.431 93 1HB ALA 69 2HB ALA 69 -5.578 4.584 7.034 94 2HB ALA 69 3HB ALA 69 -6.398 5.434 8.399 95 3HB ALA 69 1HB ALA 69 -6.537 3.642 8.236 96 H TYR 70 H TYR 70 -6.450 5.211 4.616 97 HA TYR 70 HA TYR 70 -6.147 7.970 5.073 98 1HB TYR 70 1HB TYR 70 -5.568 6.389 2.489 99 2HB TYR 70 2HB TYR 70 -4.825 7.971 2.989 100 HD1 TYR 70 HD1 TYR 70 -3.837 7.822 5.528 101 HD2 TYR 70 HD2 TYR 70 -4.314 4.548 2.836 102 HE1 TYR 70 HE1 TYR 70 -2.213 6.518 6.820 103 HE2 TYR 70 HE2 TYR 70 -2.681 3.249 4.127 104 HH TYR 70 HH TYR 70 -1.142 4.584 7.052 105 H GLY 71 H GLY 71 -8.170 5.962 2.875 106 1HA GLY 71 2HA GLY 71 -9.226 8.436 1.712 107 2HA GLY 71 1HA GLY 71 -10.298 7.121 2.372 108 H LEU 72 H LEU 72 -7.316 5.970 1.311 109 HA LEU 72 HA LEU 72 -7.956 5.477 -1.441 110 1HB LEU 72 1HB LEU 72 -6.022 4.176 0.555 111 2HB LEU 72 2HB LEU 72 -6.052 3.811 -1.207 112 HG LEU 72 HG LEU 72 -5.465 6.572 0.053 113 1HD1 LEU 72 1HD1 LEU 72 -3.693 4.945 0.651 114 2HD1 LEU 72 2HD1 LEU 72 -3.524 4.477 -1.080 115 3HD1 LEU 72 3HD1 LEU 72 -3.082 6.145 -0.552 116 1HD2 LEU 72 1HD2 LEU 72 -5.265 5.513 -2.830 117 2HD2 LEU 72 2HD2 LEU 72 -6.372 6.795 -2.225 118 3HD2 LEU 72 3HD2 LEU 72 -4.590 7.094 -2.276 119 H ASN 73 H ASN 73 -8.685 3.677 -2.336 120 HA ASN 73 HA ASN 73 -10.142 2.002 -0.493 121 1HB ASN 73 1HB ASN 73 -12.027 1.873 -2.075 122 2HB ASN 73 2HB ASN 73 -11.695 3.597 -1.677 123 1HD2 ASN 73 2HD2 ASN 73 -10.152 4.772 -3.276 124 2HD2 ASN 73 1HD2 ASN 73 -10.373 4.430 -4.960 125 H TYR 74 H TYR 74 -7.482 1.819 -1.735 126 HA TYR 74 HA TYR 74 -6.180 0.219 -2.335 127 1HB TYR 74 1HB TYR 74 -7.179 -1.673 -1.462 128 2HB TYR 74 2HB TYR 74 -8.649 -1.531 -2.478 129 HD1 TYR 74 HD1 TYR 74 -4.980 -2.244 -2.825 130 HD2 TYR 74 HD2 TYR 74 -8.953 -2.786 -4.275 131 HE1 TYR 74 HE1 TYR 74 -4.182 -3.975 -4.364 132 HE2 TYR 74 HE2 TYR 74 -8.147 -4.485 -5.846 133 HH TYR 74 HH TYR 74 -4.726 -5.449 -5.962 134 H SER 75 H SER 75 -8.690 1.446 -4.424 135 HA SER 75 HA SER 75 -7.498 0.269 -6.756 136 1HB SER 75 1HB SER 75 -9.683 2.429 -6.494 137 2HB SER 75 2HB SER 75 -9.196 1.613 -8.032 138 HG SER 75 HG SER 75 -11.018 0.685 -7.038 139 H THR 76 H THR 76 -7.638 3.433 -5.090 140 HA THR 76 HA THR 76 -6.189 4.628 -7.248 141 HB THR 76 HB THR 76 -6.126 6.571 -5.507 142 HG1 THR 76 HG1 THR 76 -7.684 6.327 -3.947 143 1HG2 THR 76 1HG2 THR 76 -7.593 6.455 -7.567 144 2HG2 THR 76 2HG2 THR 76 -8.786 5.447 -6.662 145 3HG2 THR 76 3HG2 THR 76 -8.492 7.157 -6.170 146 H PHE 77 H PHE 77 -5.606 3.024 -4.215 147 HA PHE 77 HA PHE 77 -3.079 4.034 -3.622 148 1HB PHE 77 1HB PHE 77 -4.515 2.447 -2.154 149 2HB PHE 77 2HB PHE 77 -4.162 1.140 -3.315 150 HD1 PHE 77 HD1 PHE 77 -1.663 3.702 -2.002 151 HD2 PHE 77 HD2 PHE 77 -3.081 -0.329 -2.061 152 HE1 PHE 77 HE1 PHE 77 0.244 3.009 -0.652 153 HE2 PHE 77 HE2 PHE 77 -1.213 -0.999 -0.653 154 HZ PHE 77 HZ PHE 77 0.485 0.658 0.044 155 H ILE 78 H ILE 78 -4.380 1.393 -5.548 156 HA ILE 78 HA ILE 78 -2.095 0.139 -6.224 157 HB ILE 78 HB ILE 78 -4.842 0.051 -6.872 158 1HG1 ILE 78 1HG1 ILE 78 -3.482 -1.746 -5.876 159 2HG1 ILE 78 2HG1 ILE 78 -4.462 -2.215 -7.309 160 1HG2 ILE 78 1HG2 ILE 78 -3.206 -0.236 -9.465 161 2HG2 ILE 78 2HG2 ILE 78 -4.889 -0.806 -9.179 162 3HG2 ILE 78 3HG2 ILE 78 -4.540 0.941 -9.109 163 1HD1 ILE 78 1HD1 ILE 78 -1.405 -1.700 -7.355 164 2HD1 ILE 78 2HD1 ILE 78 -2.187 -3.320 -7.290 165 3HD1 ILE 78 3HD1 ILE 78 -2.410 -2.275 -8.738 166 H ASN 79 H ASN 79 -3.757 2.814 -7.855 167 HA ASN 79 HA ASN 79 -2.118 2.791 -10.098 168 1HB ASN 79 1HB ASN 79 -2.905 4.805 -10.827 169 2HB ASN 79 2HB ASN 79 -4.326 4.062 -9.971 170 1HD2 ASN 79 2HD2 ASN 79 -5.518 5.444 -8.838 171 2HD2 ASN 79 1HD2 ASN 79 -5.045 7.027 -8.317 172 H GLY 80 H GLY 80 -2.065 4.661 -7.275 173 1HA GLY 80 2HA GLY 80 -0.487 5.920 -6.198 174 2HA GLY 80 1HA GLY 80 0.113 6.266 -7.855 175 H LEU 81 H LEU 81 0.114 2.943 -6.664 176 HA LEU 81 HA LEU 81 2.797 2.948 -5.785 177 1HB LEU 81 1HB LEU 81 1.616 0.610 -7.344 178 2HB LEU 81 2HB LEU 81 2.944 0.570 -6.207 179 HG LEU 81 HG LEU 81 0.079 1.091 -5.379 180 1HD1 LEU 81 1HD1 LEU 81 0.542 -1.259 -6.075 181 2HD1 LEU 81 2HD1 LEU 81 1.987 -1.290 -4.992 182 3HD1 LEU 81 3HD1 LEU 81 0.327 -1.168 -4.279 183 1HD2 LEU 81 1HD2 LEU 81 2.660 0.903 -3.703 184 2HD2 LEU 81 2HD2 LEU 81 1.557 2.326 -3.848 185 3HD2 LEU 81 3HD2 LEU 81 0.993 0.829 -3.028 186 H LYS 82 H LYS 82 1.307 2.551 -9.020 187 HA LYS 82 HA LYS 82 3.737 1.747 -10.231 188 1HB LYS 82 1HB LYS 82 1.439 1.108 -11.066 189 2HB LYS 82 2HB LYS 82 1.120 2.835 -11.438 190 1HG LYS 82 1HG LYS 82 2.924 2.825 -13.145 191 2HG LYS 82 2HG LYS 82 3.331 1.120 -12.731 192 1HD LYS 82 1HD LYS 82 1.064 0.383 -13.431 193 2HD LYS 82 2HD LYS 82 0.600 2.082 -13.797 194 1HE LYS 82 1HE LYS 82 2.877 0.547 -15.224 195 2HE LYS 82 2HE LYS 82 1.200 0.778 -15.870 196 1HZ LYS 82 1HZ LYS 82 3.110 2.946 -15.173 197 2HZ LYS 82 2HZ LYS 82 2.743 2.387 -16.735 198 3HZ LYS 82 3HZ LYS 82 1.544 3.142 -15.801 199 H LYS 83 H LYS 83 2.024 4.738 -9.535 200 HA LYS 83 HA LYS 83 3.367 6.380 -11.359 201 1HB LYS 83 1HB LYS 83 1.150 6.878 -10.148 202 2HB LYS 83 2HB LYS 83 2.090 7.069 -8.639 203 1HG LYS 83 1HG LYS 83 1.550 9.237 -9.520 204 2HG LYS 83 2HG LYS 83 3.324 9.021 -9.687 205 1HD LYS 83 1HD LYS 83 3.060 8.533 -12.111 206 2HD LYS 83 2HD LYS 83 1.268 8.587 -11.951 207 1HE LYS 83 1HE LYS 83 3.164 10.978 -11.434 208 2HE LYS 83 2HE LYS 83 2.183 10.709 -12.935 209 1HZ LYS 83 1HZ LYS 83 0.198 10.775 -11.579 210 2HZ LYS 83 2HZ LYS 83 1.120 11.049 -10.181 211 3HZ LYS 83 3HZ LYS 83 1.104 12.203 -11.426 212 H ALA 84 H ALA 84 3.930 5.239 -8.034 213 HA ALA 84 HA ALA 84 6.070 6.981 -7.466 214 1HB ALA 84 3HB ALA 84 4.793 5.830 -5.648 215 2HB ALA 84 1HB ALA 84 5.300 4.230 -6.278 216 3HB ALA 84 2HB ALA 84 6.532 5.351 -5.582 217 H GLY 85 H GLY 85 5.715 3.646 -8.752 218 1HA GLY 85 2HA GLY 85 8.426 3.846 -9.789 219 2HA GLY 85 1HA GLY 85 7.094 2.719 -10.296 220 H ILE 86 H ILE 86 6.247 2.207 -7.556 221 HA ILE 86 HA ILE 86 8.374 0.420 -6.707 222 HB ILE 86 HB ILE 86 6.316 2.007 -5.048 223 1HG1 ILE 86 1HG1 ILE 86 9.386 2.224 -5.134 224 2HG1 ILE 86 2HG1 ILE 86 8.220 3.419 -5.796 225 1HG2 ILE 86 1HG2 ILE 86 8.426 -0.106 -4.215 226 2HG2 ILE 86 2HG2 ILE 86 7.452 0.883 -3.061 227 3HG2 ILE 86 3HG2 ILE 86 6.630 -0.269 -4.135 228 1HD1 ILE 86 1HD1 ILE 86 7.260 3.725 -3.464 229 2HD1 ILE 86 2HD1 ILE 86 8.595 2.693 -2.823 230 3HD1 ILE 86 3HD1 ILE 86 8.980 4.248 -3.645 231 H GLU 87 H GLU 87 7.353 -0.978 -8.314 232 HA GLU 87 HA GLU 87 4.498 -1.322 -8.087 233 1HB GLU 87 1HB GLU 87 5.628 -1.267 -10.337 234 2HB GLU 87 2HB GLU 87 6.512 -2.767 -9.905 235 1HG GLU 87 1HG GLU 87 4.324 -4.003 -9.722 236 2HG GLU 87 2HG GLU 87 3.431 -2.474 -10.088 237 H LEU 88 H LEU 88 4.449 -2.042 -5.950 238 HA LEU 88 HA LEU 88 5.790 -4.581 -5.408 239 1HB LEU 88 1HB LEU 88 6.797 -2.339 -4.545 240 2HB LEU 88 2HB LEU 88 5.321 -2.150 -3.569 241 HG LEU 88 HG LEU 88 5.912 -4.393 -2.445 242 1HD1 LEU 88 1HD1 LEU 88 7.485 -5.304 -4.171 243 2HD1 LEU 88 2HD1 LEU 88 8.628 -3.948 -3.846 244 3HD1 LEU 88 3HD1 LEU 88 8.280 -5.167 -2.562 245 1HD2 LEU 88 1HD2 LEU 88 6.304 -2.192 -1.364 246 2HD2 LEU 88 2HD2 LEU 88 7.587 -3.384 -0.928 247 3HD2 LEU 88 3HD2 LEU 88 7.931 -2.090 -2.139 248 H ASP 89 H ASP 89 4.075 -6.033 -5.377 249 HA ASP 89 HA ASP 89 1.957 -5.753 -3.527 250 1HB ASP 89 1HB ASP 89 0.168 -5.835 -5.532 251 2HB ASP 89 2HB ASP 89 0.698 -4.252 -4.909 252 H ARG 90 H ARG 90 0.421 -7.407 -3.813 253 HA ARG 90 HA ARG 90 -0.480 -9.131 -4.507 254 1HB ARG 90 1HB ARG 90 0.586 -8.993 -6.819 255 2HB ARG 90 2HB ARG 90 1.891 -10.063 -6.206 256 1HG ARG 90 1HG ARG 90 0.074 -11.812 -5.687 257 2HG ARG 90 2HG ARG 90 -1.128 -10.683 -6.400 258 1HD ARG 90 1HD ARG 90 -0.479 -12.413 -8.060 259 2HD ARG 90 2HD ARG 90 0.146 -10.793 -8.609 260 HE ARG 90 HE ARG 90 2.164 -12.041 -6.993 261 1HH1 ARG 90 1HH1 ARG 90 3.957 -13.113 -8.069 262 2HH1 ARG 90 2HH1 ARG 90 3.800 -13.633 -9.714 263 1HH2 ARG 90 1HH2 ARG 90 0.452 -12.478 -10.091 264 2HH2 ARG 90 2HH2 ARG 90 1.778 -13.266 -10.880 265 H LYS 91 H LYS 91 0.413 -8.883 -2.199 266 HA LYS 91 HA LYS 91 0.838 -9.753 -0.342 267 1HB LYS 91 1HB LYS 91 1.209 -12.503 -1.717 268 2HB LYS 91 2HB LYS 91 1.222 -12.208 0.059 269 1HG LYS 91 1HG LYS 91 -0.844 -13.156 -0.348 270 2HG LYS 91 2HG LYS 91 -1.189 -11.415 -0.124 271 1HD LYS 91 1HD LYS 91 -1.382 -11.180 -2.646 272 2HD LYS 91 2HD LYS 91 -0.990 -12.924 -2.826 273 1HE LYS 91 1HE LYS 91 -3.496 -11.789 -1.386 274 2HE LYS 91 2HE LYS 91 -3.447 -12.481 -3.048 275 1HZ LYS 91 1HZ LYS 91 -2.725 -13.918 -0.546 276 2HZ LYS 91 2HZ LYS 91 -4.177 -14.074 -1.416 277 3HZ LYS 91 3HZ LYS 91 -2.709 -14.562 -2.117 278 H ILE 92 H ILE 92 2.497 -8.346 -0.671 279 HA ILE 92 HA ILE 92 5.179 -9.413 -0.733 280 HB ILE 92 HB ILE 92 3.637 -8.009 -2.938 281 1HG1 ILE 92 1HG1 ILE 92 4.098 -10.420 -3.271 282 2HG1 ILE 92 2HG1 ILE 92 4.834 -9.396 -4.521 283 1HG2 ILE 92 1HG2 ILE 92 6.658 -7.596 -2.363 284 2HG2 ILE 92 2HG2 ILE 92 5.904 -7.279 -3.971 285 3HG2 ILE 92 3HG2 ILE 92 5.366 -6.346 -2.547 286 1HD1 ILE 92 1HD1 ILE 92 6.345 -10.684 -2.145 287 2HD1 ILE 92 2HD1 ILE 92 6.344 -11.259 -3.849 288 3HD1 ILE 92 3HD1 ILE 92 7.093 -9.676 -3.444 289 H LEU 93 H LEU 93 2.846 -6.689 -1.136 290 HA LEU 93 HA LEU 93 4.543 -5.004 0.568 291 1HB LEU 93 1HB LEU 93 4.088 -4.116 -1.531 292 2HB LEU 93 2HB LEU 93 2.513 -4.886 -1.528 293 HG LEU 93 HG LEU 93 2.377 -2.852 0.537 294 1HD1 LEU 93 1HD1 LEU 93 4.232 -1.694 -0.577 295 2HD1 LEU 93 2HD1 LEU 93 3.328 -1.710 -2.138 296 3HD1 LEU 93 3HD1 LEU 93 2.675 -0.800 -0.730 297 1HD2 LEU 93 1HD2 LEU 93 1.054 -3.142 -2.236 298 2HD2 LEU 93 2HD2 LEU 93 0.450 -3.780 -0.651 299 3HD2 LEU 93 3HD2 LEU 93 0.552 -2.002 -0.931 300 H ALA 94 H ALA 94 1.459 -6.290 -0.242 301 HA ALA 94 HA ALA 94 -0.133 -5.722 1.916 302 1HB ALA 94 1HB ALA 94 -0.230 -7.436 -0.288 303 2HB ALA 94 2HB ALA 94 -0.007 -8.600 1.106 304 3HB ALA 94 3HB ALA 94 -1.434 -7.510 1.093 305 H ASP 95 H ASP 95 2.585 -7.962 1.553 306 HA ASP 95 HA ASP 95 2.204 -9.531 3.878 307 1HB ASP 95 1HB ASP 95 3.992 -10.317 2.382 308 2HB ASP 95 2HB ASP 95 4.380 -8.654 1.987 309 H MET 96 H MET 96 4.052 -6.696 2.862 310 HA MET 96 HA MET 96 4.959 -6.166 5.463 311 1HB MET 96 1HB MET 96 6.383 -4.953 4.223 312 2HB MET 96 2HB MET 96 5.240 -5.008 2.854 313 1HG MET 96 1HG MET 96 4.105 -2.973 4.347 314 2HG MET 96 2HG MET 96 5.836 -2.806 4.670 315 1HE MET 96 1HE MET 96 7.605 -2.810 2.878 316 2HE MET 96 2HE MET 96 6.992 -3.981 1.651 317 3HE MET 96 3HE MET 96 7.388 -2.297 1.168 318 H ALA 97 H ALA 97 1.797 -5.537 4.091 319 HA ALA 97 HA ALA 97 1.215 -3.235 5.548 320 1HB ALA 97 1HB ALA 97 -0.231 -4.035 3.639 321 2HB ALA 97 2HB ALA 97 -0.779 -5.404 4.680 322 3HB ALA 97 3HB ALA 97 -1.170 -3.712 5.144 323 H VAL 98 H VAL 98 0.990 -6.714 6.352 324 HA VAL 98 HA VAL 98 -0.378 -6.031 8.811 325 HB VAL 98 HB VAL 98 0.514 -8.817 8.213 326 1HG1 VAL 98 1HG1 VAL 98 -0.879 -8.180 10.215 327 2HG1 VAL 98 2HG1 VAL 98 -2.166 -7.559 9.112 328 3HG1 VAL 98 3HG1 VAL 98 -1.759 -9.317 9.126 329 1HG2 VAL 98 1HG2 VAL 98 -1.549 -7.384 6.435 330 2HG2 VAL 98 2HG2 VAL 98 -0.031 -8.260 5.945 331 3HG2 VAL 98 3HG2 VAL 98 -1.418 -9.173 6.609 332 H ARG 99 H ARG 99 2.587 -7.480 7.434 333 HA ARG 99 HA ARG 99 3.385 -8.383 10.006 334 1HB ARG 99 1HB ARG 99 4.720 -8.698 7.251 335 2HB ARG 99 2HB ARG 99 5.313 -9.398 8.788 336 1HG ARG 99 1HG ARG 99 4.238 -11.219 7.981 337 2HG ARG 99 2HG ARG 99 2.926 -10.506 8.979 338 1HD ARG 99 1HD ARG 99 1.832 -9.642 6.812 339 2HD ARG 99 2HD ARG 99 3.165 -10.344 5.873 340 HE ARG 99 HE ARG 99 1.043 -11.814 7.363 341 1HH1 ARG 99 1HH1 ARG 99 0.796 -14.043 6.724 342 2HH1 ARG 99 2HH1 ARG 99 1.978 -14.798 5.706 343 1HH2 ARG 99 1HH2 ARG 99 4.043 -11.922 5.412 344 2HH2 ARG 99 2HH2 ARG 99 3.841 -13.580 4.953 345 H ASP 100 H ASP 100 4.367 -5.793 7.716 346 HA ASP 100 HA ASP 100 6.325 -4.957 9.685 347 1HB ASP 100 1HB ASP 100 7.183 -5.959 7.406 348 2HB ASP 100 2HB ASP 100 6.620 -4.497 6.639 349 HA PRO 101 HA PRO 101 3.136 -1.953 8.349 350 1HB PRO 101 1HB PRO 101 2.319 -0.946 10.855 351 2HB PRO 101 2HB PRO 101 1.650 -2.448 10.094 352 1HG PRO 101 1HG PRO 101 3.868 -2.220 12.185 353 2HG PRO 101 2HG PRO 101 2.476 -3.384 12.144 354 1HD PRO 101 1HD PRO 101 5.041 -4.041 11.232 355 2HD PRO 101 2HD PRO 101 3.583 -4.698 10.362 356 H GLN 102 H GLN 102 6.077 -1.607 10.106 357 HA GLN 102 HA GLN 102 6.084 1.223 10.273 358 1HB GLN 102 1HB GLN 102 7.585 -0.288 11.637 359 2HB GLN 102 2HB GLN 102 8.402 -0.803 10.124 360 1HG GLN 102 1HG GLN 102 9.218 1.541 9.745 361 2HG GLN 102 2HG GLN 102 8.343 2.084 11.233 362 1HE2 GLN 102 2HE2 GLN 102 8.860 0.836 13.290 363 2HE2 GLN 102 1HE2 GLN 102 10.504 0.361 13.560 364 H ALA 103 H ALA 103 7.173 -1.326 7.960 365 HA ALA 103 HA ALA 103 8.305 0.597 6.198 366 1HB ALA 103 1HB ALA 103 7.628 -2.370 5.774 367 2HB ALA 103 3HB ALA 103 9.241 -1.705 6.236 368 3HB ALA 103 2HB ALA 103 8.545 -1.335 4.612 369 H PHE 104 H PHE 104 5.240 -1.356 6.383 370 HA PHE 104 HA PHE 104 4.127 -0.447 4.111 371 1HB PHE 104 1HB PHE 104 2.901 -1.866 5.905 372 2HB PHE 104 2HB PHE 104 2.445 -0.289 6.674 373 HD1 PHE 104 HD1 PHE 104 2.480 -2.063 3.362 374 HD2 PHE 104 HD2 PHE 104 0.549 0.826 5.832 375 HE1 PHE 104 HE1 PHE 104 0.726 -1.858 1.712 376 HE2 PHE 104 HE2 PHE 104 -1.243 1.027 4.163 377 HZ PHE 104 HZ PHE 104 -1.188 -0.338 2.106 378 H GLU 105 H GLU 105 4.277 1.507 7.164 379 HA GLU 105 HA GLU 105 2.747 3.569 6.024 380 1HB GLU 105 1HB GLU 105 4.585 3.442 8.451 381 2HB GLU 105 2HB GLU 105 3.717 4.947 7.979 382 1HG GLU 105 1HG GLU 105 1.527 3.883 8.245 383 2HG GLU 105 2HG GLU 105 2.280 2.268 8.522 384 H GLN 106 H GLN 106 6.084 2.711 5.538 385 HA GLN 106 HA GLN 106 6.932 5.398 4.946 386 1HB GLN 106 1HB GLN 106 8.139 2.609 4.570 387 2HB GLN 106 2HB GLN 106 8.860 4.052 3.812 388 1HG GLN 106 1HG GLN 106 9.251 5.081 6.046 389 2HG GLN 106 2HG GLN 106 8.334 3.751 6.854 390 1HE2 GLN 106 2HE2 GLN 106 9.643 2.342 7.837 391 2HE2 GLN 106 1HE2 GLN 106 11.155 1.744 7.239 392 H VAL 107 H VAL 107 5.708 2.515 3.278 393 HA VAL 107 HA VAL 107 6.317 3.524 0.678 394 HB VAL 107 HB VAL 107 4.366 1.344 1.559 395 1HG1 VAL 107 1HG1 VAL 107 5.339 2.263 -1.237 396 2HG1 VAL 107 2HG1 VAL 107 4.573 0.667 -0.926 397 3HG1 VAL 107 3HG1 VAL 107 3.629 2.169 -0.653 398 1HG2 VAL 107 1HG2 VAL 107 7.235 1.297 0.376 399 2HG2 VAL 107 2HG2 VAL 107 6.776 0.822 2.051 400 3HG2 VAL 107 3HG2 VAL 107 6.208 -0.154 0.652 401 H VAL 108 H VAL 108 3.639 3.663 2.986 402 HA VAL 108 HA VAL 108 1.802 4.919 1.248 403 HB VAL 108 HB VAL 108 2.154 4.728 4.265 404 1HG1 VAL 108 1HG1 VAL 108 -0.023 6.265 2.707 405 2HG1 VAL 108 2HG1 VAL 108 -0.146 5.765 4.437 406 3HG1 VAL 108 3HG1 VAL 108 1.119 6.931 3.953 407 1HG2 VAL 108 1HG2 VAL 108 1.429 2.711 2.924 408 2HG2 VAL 108 2HG2 VAL 108 0.126 3.292 4.023 409 3HG2 VAL 108 3HG2 VAL 108 0.053 3.662 2.258 410 H ASN 109 H ASN 109 4.434 6.032 3.397 411 HA ASN 109 HA ASN 109 3.755 8.737 3.186 412 1HB ASN 109 1HB ASN 109 5.354 7.780 4.934 413 2HB ASN 109 2HB ASN 109 6.588 7.622 3.625 414 1HD2 ASN 109 2HD2 ASN 109 4.269 10.008 5.099 415 2HD2 ASN 109 1HD2 ASN 109 5.304 11.391 4.973 416 H LYS 110 H LYS 110 5.507 6.521 1.022 417 HA LYS 110 HA LYS 110 6.463 8.652 -0.593 418 1HB LYS 110 1HB LYS 110 7.435 6.294 -0.603 419 2HB LYS 110 2HB LYS 110 5.937 5.746 -1.418 420 1HG LYS 110 1HG LYS 110 7.662 6.030 -3.077 421 2HG LYS 110 2HG LYS 110 6.460 7.333 -3.346 422 1HD LYS 110 1HD LYS 110 7.975 8.973 -2.238 423 2HD LYS 110 2HD LYS 110 9.099 7.645 -1.774 424 1HE LYS 110 1HE LYS 110 9.572 7.187 -4.198 425 2HE LYS 110 2HE LYS 110 8.478 8.555 -4.663 426 1HZ LYS 110 1HZ LYS 110 10.902 8.749 -2.951 427 2HZ LYS 110 2HZ LYS 110 10.782 9.207 -4.582 428 3HZ LYS 110 3HZ LYS 110 9.886 10.034 -3.400 429 H VAL 111 H VAL 111 3.644 6.394 -0.754 430 HA VAL 111 HA VAL 111 2.632 7.689 -3.130 431 HB VAL 111 HB VAL 111 1.729 5.213 -1.543 432 1HG1 VAL 111 1HG1 VAL 111 0.886 6.294 -4.319 433 2HG1 VAL 111 2HG1 VAL 111 0.694 4.567 -3.833 434 3HG1 VAL 111 3HG1 VAL 111 -0.197 5.832 -2.943 435 1HG2 VAL 111 1HG2 VAL 111 3.434 5.620 -4.076 436 2HG2 VAL 111 2HG2 VAL 111 4.037 4.979 -2.500 437 3HG2 VAL 111 3HG2 VAL 111 2.875 4.018 -3.476 438 H LYS 112 H LYS 112 2.553 8.882 -0.178 439 HA LYS 112 HA LYS 112 -0.200 9.619 -0.534 440 1HB LYS 112 1HB LYS 112 0.166 11.380 1.176 441 2HB LYS 112 2HB LYS 112 0.625 9.741 1.747 442 1HG LYS 112 1HG LYS 112 2.481 10.720 2.518 443 2HG LYS 112 2HG LYS 112 3.056 10.694 0.814 444 1HD LYS 112 1HD LYS 112 2.141 13.018 0.502 445 2HD LYS 112 2HD LYS 112 1.581 13.019 2.208 446 1HE LYS 112 1HE LYS 112 3.930 12.839 3.018 447 2HE LYS 112 2HE LYS 112 4.527 12.710 1.311 448 1HZ LYS 112 1HZ LYS 112 3.050 15.015 2.474 449 2HZ LYS 112 2HZ LYS 112 4.722 14.930 2.187 450 3HZ LYS 112 3HZ LYS 112 3.634 14.890 0.883 451 H GLU 113 H GLU 113 3.041 10.904 -1.332 452 HA GLU 113 HA GLU 113 1.726 13.152 -2.563 453 1HB GLU 113 1HB GLU 113 3.998 13.984 -2.912 454 2HB GLU 113 2HB GLU 113 3.578 13.515 -1.206 455 1HG GLU 113 1HG GLU 113 4.963 11.510 -1.307 456 2HG GLU 113 2HG GLU 113 5.372 11.825 -3.043 457 H ALA 114 H ALA 114 3.587 10.456 -3.225 458 HA ALA 114 HA ALA 114 3.664 10.739 -6.055 459 1HB ALA 114 2HB ALA 114 3.809 8.004 -4.691 460 2HB ALA 114 1HB ALA 114 5.216 9.097 -4.962 461 3HB ALA 114 3HB ALA 114 4.305 8.420 -6.363 462 H LEU 115 H LEU 115 1.033 9.667 -3.870 463 HA LEU 115 HA LEU 115 -0.619 8.854 -6.094 464 1HB LEU 115 1HB LEU 115 -1.360 8.357 -3.752 465 2HB LEU 115 2HB LEU 115 -1.391 10.121 -3.414 466 HG LEU 115 HG LEU 115 -3.035 10.262 -5.435 467 1HD1 LEU 115 1HD1 LEU 115 -2.694 7.959 -6.333 468 2HD1 LEU 115 2HD1 LEU 115 -3.305 7.257 -4.789 469 3HD1 LEU 115 3HD1 LEU 115 -4.408 8.214 -5.846 470 1HD2 LEU 115 1HD2 LEU 115 -3.832 8.971 -2.761 471 2HD2 LEU 115 2HD2 LEU 115 -3.708 10.727 -3.137 472 3HD2 LEU 115 3HD2 LEU 115 -4.988 9.729 -3.927 473 H GLN 116 H GLN 116 -0.228 11.788 -4.079 474 HA GLN 116 HA GLN 116 -0.611 13.441 -6.410 475 1HB GLN 116 1HB GLN 116 -2.988 12.723 -5.891 476 2HB GLN 116 2HB GLN 116 -2.814 13.409 -4.249 477 1HG GLN 116 1HG GLN 116 -2.446 15.707 -5.304 478 2HG GLN 116 2HG GLN 116 -2.640 14.950 -6.934 479 1HE2 GLN 116 2HE2 GLN 116 -4.637 15.038 -7.766 480 2HE2 GLN 116 1HE2 GLN 116 -6.126 15.114 -6.883 481 H VAL 117 H VAL 117 -1.364 13.696 -2.878 482 HA VAL 117 HA VAL 117 0.960 15.262 -2.395 483 HB VAL 117 HB VAL 117 -0.449 16.974 -3.512 484 1HG1 VAL 117 1HG1 VAL 117 -2.689 15.840 -3.049 485 2HG1 VAL 117 2HG1 VAL 117 -2.580 16.418 -1.347 486 3HG1 VAL 117 3HG1 VAL 117 -2.661 17.605 -2.693 487 1HG2 VAL 117 1HG2 VAL 117 1.042 17.587 -1.582 488 2HG2 VAL 117 2HG2 VAL 117 -0.395 18.665 -1.736 489 3HG2 VAL 117 3HG2 VAL 117 -0.357 17.405 -0.455 490 H GLN 118 H GLN 118 -1.909 13.565 -1.833 491 HA GLN 118 HA GLN 118 -1.674 13.803 1.072 492 1HB GLN 118 1HB GLN 118 -4.174 13.686 1.249 493 2HB GLN 118 2HB GLN 118 -3.591 15.178 0.433 494 1HG GLN 118 1HG GLN 118 -4.090 14.122 -1.821 495 2HG GLN 118 2HG GLN 118 -4.792 12.696 -0.960 496 1HE2 GLN 118 2HE2 GLN 118 -5.306 15.910 -2.128 497 2HE2 GLN 118 1HE2 GLN 118 -6.853 16.216 -1.409 No H/Q in entry = 497 Start of MODEL 15 1 H1 TRP 59 1H TRP 59 -4.248 -11.846 0.753 2 H2 TRP 59 2H TRP 59 -3.194 -12.557 -0.375 3 H3 TRP 59 3H TRP 59 -2.779 -12.523 1.271 4 HA TRP 59 HA TRP 59 -2.644 -10.162 1.231 5 1HB TRP 59 1HB TRP 59 -0.989 -11.521 -0.944 6 2HB TRP 59 2HB TRP 59 -0.565 -10.044 -0.048 7 HD1 TRP 59 HD1 TRP 59 0.356 -10.454 2.528 8 HE1 TRP 59 HE1 TRP 59 1.190 -12.557 3.716 9 HE3 TRP 59 HE3 TRP 59 -1.434 -13.912 -0.721 10 HZ2 TRP 59 HZ2 TRP 59 1.037 -15.355 3.345 11 HZ3 TRP 59 HZ3 TRP 59 -1.101 -16.290 -0.227 12 HH2 TRP 59 HH2 TRP 59 0.112 -17.003 1.774 13 H ILE 60 H ILE 60 -5.017 -9.856 0.315 14 HA ILE 60 HA ILE 60 -4.794 -8.355 -2.139 15 HB ILE 60 HB ILE 60 -7.140 -9.242 -2.737 16 1HG1 ILE 60 1HG1 ILE 60 -7.495 -10.952 -0.976 17 2HG1 ILE 60 2HG1 ILE 60 -7.459 -11.647 -2.634 18 1HG2 ILE 60 1HG2 ILE 60 -5.174 -9.032 -4.119 19 2HG2 ILE 60 2HG2 ILE 60 -4.481 -10.577 -3.500 20 3HG2 ILE 60 3HG2 ILE 60 -6.007 -10.596 -4.475 21 1HD1 ILE 60 1HD1 ILE 60 -4.857 -12.052 -1.926 22 2HD1 ILE 60 2HD1 ILE 60 -5.608 -11.979 -0.289 23 3HD1 ILE 60 3HD1 ILE 60 -6.179 -13.226 -1.471 24 H ALA 61 H ALA 61 -7.049 -9.712 0.266 25 HA ALA 61 HA ALA 61 -8.536 -7.237 0.365 26 1HB ALA 61 1HB ALA 61 -8.909 -9.943 1.809 27 2HB ALA 61 3HB ALA 61 -9.821 -9.428 0.340 28 3HB ALA 61 2HB ALA 61 -10.056 -8.553 1.900 29 H ARG 62 H ARG 62 -5.794 -8.690 1.489 30 HA ARG 62 HA ARG 62 -5.846 -7.815 4.197 31 1HB ARG 62 1HB ARG 62 -3.440 -8.545 2.431 32 2HB ARG 62 2HB ARG 62 -3.527 -8.590 4.214 33 1HG ARG 62 1HG ARG 62 -5.458 -10.406 3.804 34 2HG ARG 62 2HG ARG 62 -4.716 -10.517 2.201 35 1HD ARG 62 1HD ARG 62 -2.436 -10.936 3.248 36 2HD ARG 62 2HD ARG 62 -3.219 -10.904 4.891 37 HE ARG 62 HE ARG 62 -4.578 -12.772 3.106 38 1HH1 ARG 62 1HH1 ARG 62 -4.089 -15.061 3.324 39 2HH1 ARG 62 2HH1 ARG 62 -2.694 -15.572 4.214 40 1HH2 ARG 62 1HH2 ARG 62 -1.635 -12.279 5.056 41 2HH2 ARG 62 2HH2 ARG 62 -1.276 -13.965 5.213 42 H ILE 63 H ILE 63 -4.773 -6.617 0.894 43 HA ILE 63 HA ILE 63 -3.343 -4.488 1.908 44 HB ILE 63 HB ILE 63 -4.618 -5.122 -0.830 45 1HG1 ILE 63 1HG1 ILE 63 -1.800 -5.606 0.245 46 2HG1 ILE 63 2HG1 ILE 63 -3.020 -6.913 0.072 47 1HG2 ILE 63 1HG2 ILE 63 -2.463 -3.234 0.258 48 2HG2 ILE 63 2HG2 ILE 63 -2.728 -3.512 -1.511 49 3HG2 ILE 63 3HG2 ILE 63 -4.032 -2.764 -0.519 50 1HD1 ILE 63 1HD1 ILE 63 -1.942 -5.284 -2.309 51 2HD1 ILE 63 2HD1 ILE 63 -1.272 -6.850 -1.771 52 3HD1 ILE 63 3HD1 ILE 63 -2.980 -6.753 -2.363 53 H ASN 64 H ASN 64 -6.570 -5.290 0.564 54 HA ASN 64 HA ASN 64 -7.571 -2.710 0.528 55 1HB ASN 64 1HB ASN 64 -8.547 -5.200 -0.105 56 2HB ASN 64 2HB ASN 64 -9.483 -4.862 1.395 57 1HD2 ASN 64 2HD2 ASN 64 -9.681 -4.671 -1.875 58 2HD2 ASN 64 1HD2 ASN 64 -10.679 -3.270 -2.088 59 H ALA 65 H ALA 65 -7.074 -5.011 3.120 60 HA ALA 65 HA ALA 65 -8.801 -3.599 4.943 61 1HB ALA 65 2HB ALA 65 -7.895 -5.147 6.712 62 2HB ALA 65 3HB ALA 65 -8.511 -6.059 5.287 63 3HB ALA 65 1HB ALA 65 -6.734 -5.811 5.500 64 H ALA 66 H ALA 66 -5.406 -3.402 3.959 65 HA ALA 66 HA ALA 66 -4.646 -2.231 6.463 66 1HB ALA 66 1HB ALA 66 -3.228 -2.291 3.733 67 2HB ALA 66 2HB ALA 66 -2.479 -1.778 5.290 68 3HB ALA 66 3HB ALA 66 -2.989 -3.492 5.057 69 H VAL 67 H VAL 67 -6.133 -1.077 3.484 70 HA VAL 67 HA VAL 67 -4.741 1.455 3.695 71 HB VAL 67 HB VAL 67 -5.903 1.957 1.531 72 1HG1 VAL 67 1HG1 VAL 67 -4.069 -0.519 1.684 73 2HG1 VAL 67 2HG1 VAL 67 -4.387 0.467 0.209 74 3HG1 VAL 67 3HG1 VAL 67 -3.561 1.207 1.630 75 1HG2 VAL 67 1HG2 VAL 67 -6.786 -0.975 1.786 76 2HG2 VAL 67 2HG2 VAL 67 -7.860 0.467 1.725 77 3HG2 VAL 67 3HG2 VAL 67 -6.873 -0.001 0.300 78 H ARG 68 H ARG 68 -7.688 -0.051 4.613 79 HA ARG 68 HA ARG 68 -9.292 2.295 4.343 80 1HB ARG 68 1HB ARG 68 -10.973 0.882 5.732 81 2HB ARG 68 2HB ARG 68 -10.539 0.323 4.084 82 1HG ARG 68 1HG ARG 68 -8.918 -1.300 5.058 83 2HG ARG 68 2HG ARG 68 -9.335 -0.755 6.713 84 1HD ARG 68 1HD ARG 68 -10.407 -2.855 6.147 85 2HD ARG 68 2HD ARG 68 -11.699 -1.583 6.356 86 HE ARG 68 HE ARG 68 -11.308 -1.431 3.680 87 1HH1 ARG 68 1HH1 ARG 68 -12.115 -2.837 1.996 88 2HH1 ARG 68 2HH1 ARG 68 -12.457 -4.500 2.338 89 1HH2 ARG 68 1HH2 ARG 68 -11.507 -4.333 5.759 90 2HH2 ARG 68 2HH2 ARG 68 -12.109 -5.359 4.498 91 H ALA 69 H ALA 69 -8.380 3.951 5.456 92 HA ALA 69 HA ALA 69 -8.639 4.140 8.225 93 1HB ALA 69 1HB ALA 69 -5.786 3.606 7.107 94 2HB ALA 69 2HB ALA 69 -6.121 4.315 8.733 95 3HB ALA 69 3HB ALA 69 -6.602 2.617 8.367 96 H TYR 70 H TYR 70 -6.695 4.789 5.296 97 HA TYR 70 HA TYR 70 -6.308 7.519 6.027 98 1HB TYR 70 1HB TYR 70 -5.716 6.104 3.345 99 2HB TYR 70 2HB TYR 70 -5.004 7.667 3.924 100 HD1 TYR 70 HD1 TYR 70 -4.653 4.150 3.747 101 HD2 TYR 70 HD2 TYR 70 -3.701 7.512 6.188 102 HE1 TYR 70 HE1 TYR 70 -2.831 2.883 4.765 103 HE2 TYR 70 HE2 TYR 70 -1.865 6.238 7.213 104 HH TYR 70 HH TYR 70 -1.154 2.880 6.232 105 H GLY 71 H GLY 71 -8.173 5.593 3.631 106 1HA GLY 71 2HA GLY 71 -9.189 8.083 2.496 107 2HA GLY 71 1HA GLY 71 -10.304 6.738 3.011 108 H LEU 72 H LEU 72 -7.196 5.686 2.151 109 HA LEU 72 HA LEU 72 -7.590 5.287 -0.648 110 1HB LEU 72 1HB LEU 72 -5.827 3.957 1.490 111 2HB LEU 72 2HB LEU 72 -5.709 3.579 -0.263 112 HG LEU 72 HG LEU 72 -5.266 6.386 0.951 113 1HD1 LEU 72 1HD1 LEU 72 -3.261 4.147 0.334 114 2HD1 LEU 72 2HD1 LEU 72 -2.794 5.874 0.607 115 3HD1 LEU 72 3HD1 LEU 72 -3.586 4.924 1.917 116 1HD2 LEU 72 1HD2 LEU 72 -4.642 5.186 -1.818 117 2HD2 LEU 72 2HD2 LEU 72 -5.853 6.461 -1.436 118 3HD2 LEU 72 3HD2 LEU 72 -4.092 6.813 -1.248 119 H ASN 73 H ASN 73 -8.198 3.479 -1.690 120 HA ASN 73 HA ASN 73 -9.696 1.660 -0.028 121 1HB ASN 73 1HB ASN 73 -11.530 1.566 -1.610 122 2HB ASN 73 2HB ASN 73 -11.234 3.293 -1.193 123 1HD2 ASN 73 2HD2 ASN 73 -9.602 4.454 -2.762 124 2HD2 ASN 73 1HD2 ASN 73 -9.802 4.121 -4.452 125 H TYR 74 H TYR 74 -7.008 1.831 -1.620 126 HA TYR 74 HA TYR 74 -5.623 0.246 -2.158 127 1HB TYR 74 1HB TYR 74 -6.989 -1.641 -1.259 128 2HB TYR 74 2HB TYR 74 -7.922 -1.684 -2.796 129 HD1 TYR 74 HD1 TYR 74 -4.203 -1.315 -3.088 130 HD2 TYR 74 HD2 TYR 74 -7.513 -4.012 -2.787 131 HE1 TYR 74 HE1 TYR 74 -2.909 -3.061 -4.175 132 HE2 TYR 74 HE2 TYR 74 -6.189 -5.749 -3.834 133 HH TYR 74 HH TYR 74 -4.293 -6.298 -4.816 134 H SER 75 H SER 75 -8.219 1.554 -4.002 135 HA SER 75 HA SER 75 -7.195 0.579 -6.517 136 1HB SER 75 1HB SER 75 -9.674 0.958 -6.287 137 2HB SER 75 2HB SER 75 -9.353 2.708 -5.973 138 HG SER 75 HG SER 75 -8.553 2.913 -7.993 139 H THR 76 H THR 76 -7.341 3.581 -4.583 140 HA THR 76 HA THR 76 -6.031 5.055 -6.645 141 HB THR 76 HB THR 76 -5.885 6.766 -4.690 142 HG1 THR 76 HG1 THR 76 -6.229 5.334 -3.042 143 1HG2 THR 76 1HG2 THR 76 -7.562 6.842 -6.582 144 2HG2 THR 76 2HG2 THR 76 -8.617 5.676 -5.696 145 3HG2 THR 76 3HG2 THR 76 -8.328 7.324 -5.020 146 H PHE 77 H PHE 77 -5.189 3.130 -3.825 147 HA PHE 77 HA PHE 77 -2.660 4.335 -3.494 148 1HB PHE 77 1HB PHE 77 -3.939 2.718 -1.826 149 2HB PHE 77 2HB PHE 77 -3.328 1.380 -2.856 150 HD1 PHE 77 HD1 PHE 77 -1.375 0.420 -1.981 151 HD2 PHE 77 HD2 PHE 77 -1.916 4.633 -1.512 152 HE1 PHE 77 HE1 PHE 77 0.780 0.602 -0.802 153 HE2 PHE 77 HE2 PHE 77 0.208 4.786 -0.348 154 HZ PHE 77 HZ PHE 77 1.573 2.765 0.016 155 H ILE 78 H ILE 78 -4.107 1.659 -5.227 156 HA ILE 78 HA ILE 78 -1.887 0.444 -6.164 157 HB ILE 78 HB ILE 78 -4.684 0.407 -6.780 158 1HG1 ILE 78 1HG1 ILE 78 -3.306 -1.412 -5.803 159 2HG1 ILE 78 2HG1 ILE 78 -4.283 -1.872 -7.240 160 1HG2 ILE 78 1HG2 ILE 78 -3.001 0.186 -9.342 161 2HG2 ILE 78 2HG2 ILE 78 -4.672 -0.433 -9.095 162 3HG2 ILE 78 3HG2 ILE 78 -4.377 1.319 -8.981 163 1HD1 ILE 78 1HD1 ILE 78 -2.208 -1.861 -8.666 164 2HD1 ILE 78 2HD1 ILE 78 -1.226 -1.346 -7.244 165 3HD1 ILE 78 3HD1 ILE 78 -2.015 -2.961 -7.255 166 H ASN 79 H ASN 79 -3.727 3.185 -7.486 167 HA ASN 79 HA ASN 79 -2.324 3.239 -9.864 168 1HB ASN 79 1HB ASN 79 -3.329 5.126 -10.519 169 2HB ASN 79 2HB ASN 79 -4.590 4.408 -9.429 170 1HD2 ASN 79 2HD2 ASN 79 -2.367 7.039 -10.223 171 2HD2 ASN 79 1HD2 ASN 79 -2.986 8.215 -9.111 172 H GLY 80 H GLY 80 -2.044 5.154 -7.069 173 1HA GLY 80 2HA GLY 80 -0.393 6.513 -6.204 174 2HA GLY 80 1HA GLY 80 -0.033 6.854 -7.924 175 H LEU 81 H LEU 81 0.285 3.599 -6.562 176 HA LEU 81 HA LEU 81 3.067 3.746 -6.043 177 1HB LEU 81 1HB LEU 81 1.650 1.363 -7.295 178 2HB LEU 81 2HB LEU 81 3.172 1.264 -6.539 179 HG LEU 81 HG LEU 81 1.025 2.289 -4.719 180 1HD1 LEU 81 1HD1 LEU 81 0.109 0.272 -5.987 181 2HD1 LEU 81 2HD1 LEU 81 1.521 -0.655 -5.394 182 3HD1 LEU 81 3HD1 LEU 81 0.306 -0.022 -4.207 183 1HD2 LEU 81 1HD2 LEU 81 3.505 2.152 -4.086 184 2HD2 LEU 81 2HD2 LEU 81 2.415 1.177 -3.025 185 3HD2 LEU 81 3HD2 LEU 81 3.406 0.372 -4.297 186 H LYS 82 H LYS 82 1.100 3.050 -8.959 187 HA LYS 82 HA LYS 82 3.384 2.295 -10.467 188 1HB LYS 82 1HB LYS 82 0.492 2.927 -11.303 189 2HB LYS 82 2HB LYS 82 1.724 2.158 -12.364 190 1HG LYS 82 1HG LYS 82 1.792 0.161 -10.931 191 2HG LYS 82 2HG LYS 82 0.781 0.945 -9.688 192 1HD LYS 82 1HD LYS 82 -0.588 -0.631 -10.908 193 2HD LYS 82 2HD LYS 82 -1.154 1.046 -11.224 194 1HE LYS 82 1HE LYS 82 -1.226 -0.300 -13.303 195 2HE LYS 82 2HE LYS 82 0.043 0.975 -13.481 196 1HZ LYS 82 1HZ LYS 82 1.687 -0.689 -12.868 197 2HZ LYS 82 2HZ LYS 82 0.476 -1.875 -12.751 198 3HZ LYS 82 3HZ LYS 82 0.805 -1.142 -14.248 199 H LYS 83 H LYS 83 1.819 5.213 -9.584 200 HA LYS 83 HA LYS 83 2.470 6.703 -11.919 201 1HB LYS 83 1HB LYS 83 0.550 7.279 -10.376 202 2HB LYS 83 2HB LYS 83 1.728 7.618 -9.069 203 1HG LYS 83 1HG LYS 83 2.637 9.527 -10.301 204 2HG LYS 83 2HG LYS 83 1.683 9.106 -11.770 205 1HD LYS 83 1HD LYS 83 -0.426 9.612 -10.639 206 2HD LYS 83 2HD LYS 83 0.401 9.767 -9.052 207 1HE LYS 83 1HE LYS 83 -0.156 12.016 -9.970 208 2HE LYS 83 2HE LYS 83 1.639 11.797 -9.875 209 1HZ LYS 83 1HZ LYS 83 -0.042 11.439 -12.302 210 2HZ LYS 83 2HZ LYS 83 0.945 12.773 -11.945 211 3HZ LYS 83 3HZ LYS 83 1.642 11.247 -12.210 212 H ALA 84 H ALA 84 3.885 5.788 -8.755 213 HA ALA 84 HA ALA 84 6.156 7.478 -9.130 214 1HB ALA 84 3HB ALA 84 5.734 6.743 -6.828 215 2HB ALA 84 2HB ALA 84 7.235 5.940 -7.410 216 3HB ALA 84 1HB ALA 84 5.672 5.039 -7.355 217 H GLY 85 H GLY 85 5.355 4.013 -9.614 218 1HA GLY 85 2HA GLY 85 7.632 3.867 -11.443 219 2HA GLY 85 1HA GLY 85 6.022 3.079 -11.689 220 H ILE 86 H ILE 86 5.696 2.447 -8.827 221 HA ILE 86 HA ILE 86 7.993 0.842 -8.216 222 HB ILE 86 HB ILE 86 5.401 1.430 -6.720 223 1HG1 ILE 86 1HG1 ILE 86 8.187 2.611 -6.174 224 2HG1 ILE 86 2HG1 ILE 86 6.965 3.445 -7.172 225 1HG2 ILE 86 1HG2 ILE 86 6.718 -0.739 -6.103 226 2HG2 ILE 86 2HG2 ILE 86 8.130 0.302 -5.740 227 3HG2 ILE 86 3HG2 ILE 86 6.621 0.458 -4.766 228 1HD1 ILE 86 1HD1 ILE 86 5.329 3.361 -5.246 229 2HD1 ILE 86 2HD1 ILE 86 6.624 2.651 -4.210 230 3HD1 ILE 86 3HD1 ILE 86 6.815 4.311 -4.886 231 H GLU 87 H GLU 87 4.447 0.633 -8.848 232 HA GLU 87 HA GLU 87 3.095 -0.982 -9.396 233 1HB GLU 87 1HB GLU 87 5.547 -2.422 -10.576 234 2HB GLU 87 2HB GLU 87 3.855 -3.008 -10.688 235 1HG GLU 87 1HG GLU 87 4.402 -2.034 -12.786 236 2HG GLU 87 2HG GLU 87 3.210 -0.957 -11.977 237 H LEU 88 H LEU 88 3.098 -1.167 -6.902 238 HA LEU 88 HA LEU 88 3.985 -3.868 -6.265 239 1HB LEU 88 1HB LEU 88 4.960 -1.374 -5.291 240 2HB LEU 88 2HB LEU 88 4.154 -2.152 -3.905 241 HG LEU 88 HG LEU 88 6.369 -3.351 -5.686 242 1HD1 LEU 88 1HD1 LEU 88 6.436 -2.484 -2.728 243 2HD1 LEU 88 2HD1 LEU 88 7.752 -3.364 -3.586 244 3HD1 LEU 88 3HD1 LEU 88 7.288 -1.709 -4.101 245 1HD2 LEU 88 1HD2 LEU 88 4.940 -4.717 -3.320 246 2HD2 LEU 88 2HD2 LEU 88 4.938 -5.246 -5.037 247 3HD2 LEU 88 3HD2 LEU 88 6.461 -5.294 -4.089 248 H ASP 89 H ASP 89 3.052 -3.749 -3.554 249 HA ASP 89 HA ASP 89 1.412 -4.752 -2.524 250 1HB ASP 89 1HB ASP 89 -0.527 -2.638 -3.579 251 2HB ASP 89 2HB ASP 89 -0.686 -3.662 -2.142 252 H ARG 90 H ARG 90 1.855 -6.351 -4.378 253 HA ARG 90 HA ARG 90 -0.523 -6.550 -6.052 254 1HB ARG 90 1HB ARG 90 1.889 -6.823 -6.942 255 2HB ARG 90 2HB ARG 90 1.974 -8.352 -6.004 256 1HG ARG 90 1HG ARG 90 -0.007 -9.234 -7.292 257 2HG ARG 90 2HG ARG 90 -0.090 -7.688 -8.202 258 1HD ARG 90 1HD ARG 90 2.251 -9.710 -8.243 259 2HD ARG 90 2HD ARG 90 1.070 -9.420 -9.583 260 HE ARG 90 HE ARG 90 3.357 -7.707 -8.775 261 1HH1 ARG 90 1HH1 ARG 90 3.778 -5.823 -10.080 262 2HH1 ARG 90 2HH1 ARG 90 2.617 -5.295 -11.252 263 1HH2 ARG 90 1HH2 ARG 90 0.268 -7.875 -10.571 264 2HH2 ARG 90 2HH2 ARG 90 0.601 -6.474 -11.534 265 H LYS 91 H LYS 91 1.483 -8.094 -3.475 266 HA LYS 91 HA LYS 91 -0.192 -9.253 -2.000 267 1HB LYS 91 1HB LYS 91 0.044 -11.744 -2.666 268 2HB LYS 91 2HB LYS 91 -1.200 -10.799 -3.537 269 1HG LYS 91 1HG LYS 91 0.462 -10.598 -5.491 270 2HG LYS 91 2HG LYS 91 1.559 -11.682 -4.577 271 1HD LYS 91 1HD LYS 91 0.281 -12.981 -6.215 272 2HD LYS 91 2HD LYS 91 -0.208 -13.452 -4.548 273 1HE LYS 91 1HE LYS 91 -2.184 -13.302 -6.073 274 2HE LYS 91 2HE LYS 91 -2.318 -12.042 -4.788 275 1HZ LYS 91 1HZ LYS 91 -1.289 -11.616 -7.544 276 2HZ LYS 91 2HZ LYS 91 -2.832 -11.199 -6.965 277 3HZ LYS 91 3HZ LYS 91 -1.452 -10.436 -6.333 278 H ILE 92 H ILE 92 1.109 -9.903 -0.416 279 HA ILE 92 HA ILE 92 2.627 -10.948 0.668 280 HB ILE 92 HB ILE 92 3.920 -11.393 -1.985 281 1HG1 ILE 92 1HG1 ILE 92 1.533 -12.441 -0.939 282 2HG1 ILE 92 2HG1 ILE 92 2.432 -12.918 -2.392 283 1HG2 ILE 92 1HG2 ILE 92 4.636 -12.648 0.749 284 2HG2 ILE 92 2HG2 ILE 92 5.233 -13.261 -0.846 285 3HG2 ILE 92 3HG2 ILE 92 5.704 -11.638 -0.298 286 1HD1 ILE 92 1HD1 ILE 92 2.785 -14.148 0.436 287 2HD1 ILE 92 2HD1 ILE 92 1.850 -14.868 -0.921 288 3HD1 ILE 92 3HD1 ILE 92 3.630 -14.704 -1.066 289 H LEU 93 H LEU 93 2.759 -8.142 -0.906 290 HA LEU 93 HA LEU 93 5.021 -7.086 0.722 291 1HB LEU 93 1HB LEU 93 4.744 -5.915 -1.214 292 2HB LEU 93 2HB LEU 93 2.983 -6.046 -1.121 293 HG LEU 93 HG LEU 93 4.382 -4.251 0.850 294 1HD1 LEU 93 1HD1 LEU 93 5.409 -3.608 -1.257 295 2HD1 LEU 93 2HD1 LEU 93 3.782 -3.307 -1.986 296 3HD1 LEU 93 3HD1 LEU 93 4.350 -2.301 -0.607 297 1HD2 LEU 93 1HD2 LEU 93 1.602 -4.143 -0.460 298 2HD2 LEU 93 2HD2 LEU 93 1.995 -4.221 1.289 299 3HD2 LEU 93 3HD2 LEU 93 2.335 -2.722 0.386 300 H ALA 94 H ALA 94 1.690 -7.369 0.154 301 HA ALA 94 HA ALA 94 0.483 -5.789 1.945 302 1HB ALA 94 1HB ALA 94 -0.497 -7.387 0.187 303 2HB ALA 94 2HB ALA 94 -0.288 -8.691 1.469 304 3HB ALA 94 3HB ALA 94 -1.405 -7.322 1.786 305 H ASP 95 H ASP 95 2.408 -8.643 2.562 306 HA ASP 95 HA ASP 95 1.466 -9.241 5.082 307 1HB ASP 95 1HB ASP 95 3.558 -10.183 5.524 308 2HB ASP 95 2HB ASP 95 3.213 -10.494 3.766 309 H MET 96 H MET 96 3.878 -6.972 3.830 310 HA MET 96 HA MET 96 4.327 -5.962 6.489 311 1HB MET 96 1HB MET 96 6.208 -5.321 5.288 312 2HB MET 96 2HB MET 96 5.276 -5.277 3.791 313 1HG MET 96 1HG MET 96 4.777 -2.951 5.581 314 2HG MET 96 2HG MET 96 6.353 -3.107 4.783 315 1HE MET 96 1HE MET 96 6.606 -3.966 2.316 316 2HE MET 96 2HE MET 96 6.175 -2.588 1.250 317 3HE MET 96 3HE MET 96 7.027 -2.284 2.800 318 H ALA 97 H ALA 97 1.946 -5.193 3.967 319 HA ALA 97 HA ALA 97 1.284 -2.703 4.872 320 1HB ALA 97 1HB ALA 97 0.416 -3.699 2.728 321 2HB ALA 97 2HB ALA 97 -0.703 -4.718 3.715 322 3HB ALA 97 3HB ALA 97 -0.853 -2.922 3.728 323 H VAL 98 H VAL 98 0.489 -5.866 6.269 324 HA VAL 98 HA VAL 98 -1.371 -4.525 8.074 325 HB VAL 98 HB VAL 98 -0.801 -7.489 8.189 326 1HG1 VAL 98 1HG1 VAL 98 -3.204 -5.670 8.883 327 2HG1 VAL 98 2HG1 VAL 98 -3.119 -7.452 9.143 328 3HG1 VAL 98 3HG1 VAL 98 -2.026 -6.357 10.066 329 1HG2 VAL 98 1HG2 VAL 98 -2.625 -6.044 6.182 330 2HG2 VAL 98 2HG2 VAL 98 -1.340 -7.294 5.888 331 3HG2 VAL 98 3HG2 VAL 98 -2.859 -7.760 6.699 332 H ARG 99 H ARG 99 1.404 -6.943 8.203 333 HA ARG 99 HA ARG 99 1.389 -6.525 10.983 334 1HB ARG 99 1HB ARG 99 3.252 -8.322 10.760 335 2HB ARG 99 2HB ARG 99 1.487 -8.743 10.696 336 1HG ARG 99 1HG ARG 99 3.274 -8.455 8.223 337 2HG ARG 99 2HG ARG 99 3.152 -9.966 9.161 338 1HD ARG 99 1HD ARG 99 0.724 -8.700 7.725 339 2HD ARG 99 2HD ARG 99 1.692 -10.073 7.137 340 HE ARG 99 HE ARG 99 0.813 -10.689 9.809 341 1HH1 ARG 99 1HH1 ARG 99 -1.065 -12.120 10.003 342 2HH1 ARG 99 2HH1 ARG 99 -2.151 -12.308 8.668 343 1HH2 ARG 99 1HH2 ARG 99 -0.398 -10.096 6.505 344 2HH2 ARG 99 2HH2 ARG 99 -1.768 -11.146 6.655 345 H ASP 100 H ASP 100 3.327 -5.269 8.460 346 HA ASP 100 HA ASP 100 5.216 -4.366 10.504 347 1HB ASP 100 1HB ASP 100 6.127 -5.754 8.491 348 2HB ASP 100 2HB ASP 100 5.802 -4.358 7.486 349 HA PRO 101 HA PRO 101 2.632 -1.114 8.612 350 1HB PRO 101 1HB PRO 101 1.806 0.268 10.927 351 2HB PRO 101 2HB PRO 101 0.981 -1.206 10.270 352 1HG PRO 101 1HG PRO 101 3.089 -1.046 12.481 353 2HG PRO 101 2HG PRO 101 1.542 -1.995 12.470 354 1HD PRO 101 1HD PRO 101 4.014 -3.132 11.791 355 2HD PRO 101 2HD PRO 101 2.514 -3.627 10.870 356 H GLN 102 H GLN 102 5.573 -0.997 10.340 357 HA GLN 102 HA GLN 102 5.839 1.856 10.317 358 1HB GLN 102 1HB GLN 102 7.150 0.506 11.962 359 2HB GLN 102 2HB GLN 102 7.864 -0.448 10.622 360 1HG GLN 102 1HG GLN 102 9.473 1.226 11.531 361 2HG GLN 102 2HG GLN 102 9.107 1.564 9.802 362 1HE2 GLN 102 2HE2 GLN 102 8.888 3.673 9.397 363 2HE2 GLN 102 1HE2 GLN 102 8.178 4.864 10.435 364 H ALA 103 H ALA 103 6.921 -1.023 8.441 365 HA ALA 103 HA ALA 103 8.271 0.563 6.524 366 1HB ALA 103 1HB ALA 103 7.340 -2.360 6.485 367 2HB ALA 103 3HB ALA 103 8.996 -1.771 6.866 368 3HB ALA 103 2HB ALA 103 8.349 -1.600 5.189 369 H PHE 104 H PHE 104 5.040 -1.119 6.703 370 HA PHE 104 HA PHE 104 4.110 -0.231 4.316 371 1HB PHE 104 1HB PHE 104 2.703 -1.527 6.014 372 2HB PHE 104 2HB PHE 104 2.472 0.035 6.899 373 HD1 PHE 104 HD1 PHE 104 2.362 -0.784 3.183 374 HD2 PHE 104 HD2 PHE 104 0.331 0.640 6.662 375 HE1 PHE 104 HE1 PHE 104 0.389 -0.319 1.836 376 HE2 PHE 104 HE2 PHE 104 -1.666 1.052 5.308 377 HZ PHE 104 HZ PHE 104 -1.648 0.588 2.889 378 H GLU 105 H GLU 105 4.380 1.831 7.296 379 HA GLU 105 HA GLU 105 2.932 3.917 6.193 380 1HB GLU 105 1HB GLU 105 3.712 3.500 8.652 381 2HB GLU 105 2HB GLU 105 5.198 4.383 8.191 382 1HG GLU 105 1HG GLU 105 2.301 5.461 7.882 383 2HG GLU 105 2HG GLU 105 3.287 5.671 9.379 384 H GLN 106 H GLN 106 6.359 2.970 5.831 385 HA GLN 106 HA GLN 106 7.224 5.446 4.808 386 1HB GLN 106 1HB GLN 106 8.247 2.572 4.531 387 2HB GLN 106 2HB GLN 106 9.050 3.955 3.744 388 1HG GLN 106 1HG GLN 106 9.523 4.999 5.946 389 2HG GLN 106 2HG GLN 106 8.511 3.765 6.792 390 1HE2 GLN 106 2HE2 GLN 106 9.742 2.365 7.868 391 2HE2 GLN 106 1HE2 GLN 106 11.204 1.629 7.304 392 H VAL 107 H VAL 107 5.845 2.495 3.351 393 HA VAL 107 HA VAL 107 6.409 3.297 0.686 394 HB VAL 107 HB VAL 107 4.332 1.327 1.764 395 1HG1 VAL 107 1HG1 VAL 107 5.319 1.876 -1.121 396 2HG1 VAL 107 2HG1 VAL 107 4.370 0.429 -0.619 397 3HG1 VAL 107 3HG1 VAL 107 3.630 2.058 -0.513 398 1HG2 VAL 107 1HG2 VAL 107 7.167 1.000 0.558 399 2HG2 VAL 107 2HG2 VAL 107 6.709 0.708 2.276 400 3HG2 VAL 107 3HG2 VAL 107 6.053 -0.351 0.979 401 H VAL 108 H VAL 108 3.726 3.734 2.953 402 HA VAL 108 HA VAL 108 1.896 4.857 1.159 403 HB VAL 108 HB VAL 108 2.317 4.797 4.164 404 1HG1 VAL 108 1HG1 VAL 108 0.099 6.315 2.658 405 2HG1 VAL 108 2HG1 VAL 108 0.026 5.834 4.399 406 3HG1 VAL 108 3HG1 VAL 108 1.290 6.986 3.856 407 1HG2 VAL 108 1HG2 VAL 108 1.544 2.759 2.883 408 2HG2 VAL 108 2HG2 VAL 108 0.306 3.357 4.050 409 3HG2 VAL 108 3HG2 VAL 108 0.127 3.695 2.285 410 H ASN 109 H ASN 109 4.545 6.125 3.124 411 HA ASN 109 HA ASN 109 3.780 8.828 2.811 412 1HB ASN 109 1HB ASN 109 5.241 7.935 4.723 413 2HB ASN 109 2HB ASN 109 6.565 7.702 3.520 414 1HD2 ASN 109 2HD2 ASN 109 4.218 10.171 4.778 415 2HD2 ASN 109 1HD2 ASN 109 5.275 11.537 4.651 416 H LYS 110 H LYS 110 5.701 6.519 0.926 417 HA LYS 110 HA LYS 110 6.965 8.540 -0.610 418 1HB LYS 110 1HB LYS 110 7.793 6.153 -0.401 419 2HB LYS 110 2HB LYS 110 6.383 5.623 -1.382 420 1HG LYS 110 1HG LYS 110 7.198 6.956 -3.313 421 2HG LYS 110 2HG LYS 110 8.521 7.646 -2.304 422 1HD LYS 110 1HD LYS 110 9.445 5.327 -1.964 423 2HD LYS 110 2HD LYS 110 8.192 4.681 -3.077 424 1HE LYS 110 1HE LYS 110 10.371 6.760 -3.811 425 2HE LYS 110 2HE LYS 110 10.376 5.004 -4.260 426 1HZ LYS 110 1HZ LYS 110 8.339 5.373 -5.480 427 2HZ LYS 110 2HZ LYS 110 8.345 7.019 -5.067 428 3HZ LYS 110 3HZ LYS 110 9.585 6.384 -6.037 429 H VAL 111 H VAL 111 3.983 6.585 -0.839 430 HA VAL 111 HA VAL 111 3.373 7.607 -3.466 431 HB VAL 111 HB VAL 111 2.139 5.562 -1.542 432 1HG1 VAL 111 1HG1 VAL 111 1.174 6.335 -4.372 433 2HG1 VAL 111 2HG1 VAL 111 0.747 4.790 -3.546 434 3HG1 VAL 111 3HG1 VAL 111 0.209 6.352 -2.841 435 1HG2 VAL 111 1HG2 VAL 111 4.327 4.936 -2.650 436 2HG2 VAL 111 2HG2 VAL 111 2.949 3.952 -3.256 437 3HG2 VAL 111 3HG2 VAL 111 3.590 5.300 -4.262 438 H LYS 112 H LYS 112 2.755 8.845 -0.307 439 HA LYS 112 HA LYS 112 0.248 9.884 -1.232 440 1HB LYS 112 1HB LYS 112 0.296 11.407 0.704 441 2HB LYS 112 2HB LYS 112 0.676 9.709 1.188 442 1HG LYS 112 1HG LYS 112 2.191 10.801 2.473 443 2HG LYS 112 2HG LYS 112 3.179 10.483 1.011 444 1HD LYS 112 1HD LYS 112 2.683 12.861 0.253 445 2HD LYS 112 2HD LYS 112 1.788 13.133 1.784 446 1HE LYS 112 1HE LYS 112 3.896 12.812 3.076 447 2HE LYS 112 2HE LYS 112 4.778 12.346 1.561 448 1HZ LYS 112 1HZ LYS 112 3.477 14.967 2.079 449 2HZ LYS 112 2HZ LYS 112 5.141 14.635 2.152 450 3HZ LYS 112 3HZ LYS 112 4.315 14.516 0.672 451 H GLU 113 H GLU 113 3.589 10.633 -1.423 452 HA GLU 113 HA GLU 113 3.164 13.285 -2.410 453 1HB GLU 113 1HB GLU 113 5.062 12.464 -1.027 454 2HB GLU 113 2HB GLU 113 5.645 11.480 -2.393 455 1HG GLU 113 1HG GLU 113 5.968 13.498 -3.805 456 2HG GLU 113 2HG GLU 113 5.372 14.554 -2.464 457 H ALA 114 H ALA 114 4.083 10.130 -3.583 458 HA ALA 114 HA ALA 114 4.596 11.001 -6.238 459 1HB ALA 114 2HB ALA 114 3.870 8.145 -5.378 460 2HB ALA 114 1HB ALA 114 5.546 8.821 -5.345 461 3HB ALA 114 3HB ALA 114 4.665 8.643 -6.910 462 H LEU 115 H LEU 115 1.703 10.196 -4.462 463 HA LEU 115 HA LEU 115 0.027 9.777 -6.833 464 1HB LEU 115 1HB LEU 115 -0.612 8.616 -4.773 465 2HB LEU 115 2HB LEU 115 -0.658 10.208 -3.921 466 HG LEU 115 HG LEU 115 -2.326 10.992 -5.481 467 1HD1 LEU 115 1HD1 LEU 115 -2.450 8.107 -6.577 468 2HD1 LEU 115 2HD1 LEU 115 -3.683 9.379 -6.910 469 3HD1 LEU 115 3HD1 LEU 115 -1.999 9.591 -7.500 470 1HD2 LEU 115 1HD2 LEU 115 -2.963 9.906 -3.265 471 2HD2 LEU 115 2HD2 LEU 115 -4.272 9.724 -4.496 472 3HD2 LEU 115 3HD2 LEU 115 -3.183 8.337 -4.115 473 H GLN 116 H GLN 116 1.237 12.107 -4.613 474 HA GLN 116 HA GLN 116 1.219 14.317 -4.569 475 1HB GLN 116 1HB GLN 116 -0.084 14.449 -7.336 476 2HB GLN 116 2HB GLN 116 0.669 15.803 -6.434 477 1HG GLN 116 1HG GLN 116 2.905 14.752 -6.623 478 2HG GLN 116 2HG GLN 116 2.189 13.324 -7.476 479 1HE2 GLN 116 2HE2 GLN 116 3.623 16.381 -7.868 480 2HE2 GLN 116 1HE2 GLN 116 3.139 16.725 -9.495 481 H VAL 117 H VAL 117 -0.738 12.806 -3.358 482 HA VAL 117 HA VAL 117 -3.067 14.545 -3.510 483 HB VAL 117 HB VAL 117 -3.440 12.100 -3.235 484 1HG1 VAL 117 1HG1 VAL 117 -1.433 11.512 -1.907 485 2HG1 VAL 117 2HG1 VAL 117 -2.018 12.494 -0.507 486 3HG1 VAL 117 3HG1 VAL 117 -2.923 11.035 -1.034 487 1HG2 VAL 117 1HG2 VAL 117 -5.083 13.828 -2.463 488 2HG2 VAL 117 2HG2 VAL 117 -5.136 12.313 -1.485 489 3HG2 VAL 117 3HG2 VAL 117 -4.348 13.782 -0.813 490 H GLN 118 H GLN 118 0.089 14.176 -2.324 491 HA GLN 118 HA GLN 118 -0.068 15.403 0.137 492 1HB GLN 118 1HB GLN 118 2.261 16.052 -0.097 493 2HB GLN 118 2HB GLN 118 2.010 14.453 -0.863 494 1HG GLN 118 1HG GLN 118 3.372 15.453 -2.435 495 2HG GLN 118 2HG GLN 118 1.757 15.828 -3.130 496 1HE2 GLN 118 2HE2 GLN 118 1.910 17.801 -4.050 497 2HE2 GLN 118 1HE2 GLN 118 2.611 19.218 -3.341 No H/Q in entry = 497 Start of MODEL 16 1 H1 TRP 59 1H TRP 59 -3.262 -9.704 0.287 2 H2 TRP 59 2H TRP 59 -2.739 -10.495 -1.121 3 H3 TRP 59 3H TRP 59 -1.639 -9.589 -0.198 4 HA TRP 59 HA TRP 59 -2.798 -7.645 -0.635 5 1HB TRP 59 1HB TRP 59 -1.212 -7.492 -2.171 6 2HB TRP 59 2HB TRP 59 -1.323 -9.199 -2.537 7 HD1 TRP 59 HD1 TRP 59 -2.250 -5.727 -3.982 8 HE1 TRP 59 HE1 TRP 59 -3.018 -6.032 -6.394 9 HE3 TRP 59 HE3 TRP 59 -2.782 -10.774 -3.977 10 HZ2 TRP 59 HZ2 TRP 59 -3.809 -8.158 -8.077 11 HZ3 TRP 59 HZ3 TRP 59 -3.577 -11.885 -6.014 12 HH2 TRP 59 HH2 TRP 59 -4.079 -10.601 -8.033 13 H ILE 60 H ILE 60 -4.971 -8.780 0.302 14 HA ILE 60 HA ILE 60 -6.501 -7.622 -1.604 15 HB ILE 60 HB ILE 60 -8.386 -9.695 -0.996 16 1HG1 ILE 60 1HG1 ILE 60 -7.349 -11.677 -2.128 17 2HG1 ILE 60 2HG1 ILE 60 -5.747 -10.869 -2.070 18 1HG2 ILE 60 1HG2 ILE 60 -8.404 -8.164 -2.943 19 2HG2 ILE 60 2HG2 ILE 60 -7.002 -9.043 -3.664 20 3HG2 ILE 60 3HG2 ILE 60 -8.567 -9.895 -3.420 21 1HD1 ILE 60 1HD1 ILE 60 -5.956 -10.703 0.426 22 2HD1 ILE 60 2HD1 ILE 60 -7.515 -11.593 0.352 23 3HD1 ILE 60 3HD1 ILE 60 -5.976 -12.425 -0.141 24 H ALA 61 H ALA 61 -7.379 -9.680 1.257 25 HA ALA 61 HA ALA 61 -9.320 -7.679 1.920 26 1HB ALA 61 1HB ALA 61 -8.379 -10.206 3.424 27 2HB ALA 61 3HB ALA 61 -9.818 -10.115 2.344 28 3HB ALA 61 2HB ALA 61 -9.793 -9.188 3.893 29 H ARG 62 H ARG 62 -6.132 -8.831 2.870 30 HA ARG 62 HA ARG 62 -5.895 -7.269 5.215 31 1HB ARG 62 1HB ARG 62 -3.337 -7.706 4.630 32 2HB ARG 62 2HB ARG 62 -4.367 -9.072 5.182 33 1HG ARG 62 1HG ARG 62 -4.665 -9.908 2.908 34 2HG ARG 62 2HG ARG 62 -3.876 -8.458 2.200 35 1HD ARG 62 1HD ARG 62 -2.274 -10.301 2.164 36 2HD ARG 62 2HD ARG 62 -1.725 -9.116 3.430 37 HE ARG 62 HE ARG 62 -3.416 -11.106 4.655 38 1HH1 ARG 62 1HH1 ARG 62 -2.375 -12.907 5.770 39 2HH1 ARG 62 2HH1 ARG 62 -0.715 -13.282 5.445 40 1HH2 ARG 62 1HH2 ARG 62 -0.255 -10.678 3.061 41 2HH2 ARG 62 2HH2 ARG 62 0.508 -12.000 3.880 42 H ILE 63 H ILE 63 -5.546 -6.759 1.755 43 HA ILE 63 HA ILE 63 -3.839 -4.501 2.173 44 HB ILE 63 HB ILE 63 -4.061 -6.489 0.345 45 1HG1 ILE 63 1HG1 ILE 63 -2.555 -3.871 0.575 46 2HG1 ILE 63 2HG1 ILE 63 -2.021 -5.567 0.887 47 1HG2 ILE 63 1HG2 ILE 63 -5.934 -5.277 -0.884 48 2HG2 ILE 63 2HG2 ILE 63 -4.714 -3.971 -1.232 49 3HG2 ILE 63 3HG2 ILE 63 -4.472 -5.666 -1.850 50 1HD1 ILE 63 1HD1 ILE 63 -2.534 -5.839 -1.744 51 2HD1 ILE 63 2HD1 ILE 63 -2.209 -4.075 -1.769 52 3HD1 ILE 63 3HD1 ILE 63 -0.944 -5.240 -1.176 53 H ASN 64 H ASN 64 -7.201 -5.179 1.778 54 HA ASN 64 HA ASN 64 -7.850 -2.579 0.737 55 1HB ASN 64 1HB ASN 64 -9.225 -4.976 0.790 56 2HB ASN 64 2HB ASN 64 -9.871 -4.236 2.288 57 1HD2 ASN 64 2HD2 ASN 64 -9.468 -3.871 -1.255 58 2HD2 ASN 64 1HD2 ASN 64 -10.700 -2.679 -1.499 59 H ALA 65 H ALA 65 -7.158 -4.284 3.602 60 HA ALA 65 HA ALA 65 -8.828 -2.654 5.326 61 1HB ALA 65 2HB ALA 65 -7.825 -3.997 7.219 62 2HB ALA 65 3HB ALA 65 -8.529 -5.060 5.948 63 3HB ALA 65 1HB ALA 65 -6.742 -4.812 6.030 64 H ALA 66 H ALA 66 -5.598 -2.665 4.053 65 HA ALA 66 HA ALA 66 -4.516 -1.193 6.262 66 1HB ALA 66 2HB ALA 66 -3.396 -1.702 3.438 67 2HB ALA 66 3HB ALA 66 -2.480 -1.056 4.857 68 3HB ALA 66 1HB ALA 66 -3.092 -2.752 4.872 69 H VAL 67 H VAL 67 -5.892 -0.609 2.996 70 HA VAL 67 HA VAL 67 -4.747 1.986 2.952 71 HB VAL 67 HB VAL 67 -5.670 2.103 0.674 72 1HG1 VAL 67 1HG1 VAL 67 -3.420 1.195 1.108 73 2HG1 VAL 67 2HG1 VAL 67 -4.097 -0.457 1.366 74 3HG1 VAL 67 3HG1 VAL 67 -4.223 0.320 -0.253 75 1HG2 VAL 67 1HG2 VAL 67 -6.824 -0.671 1.370 76 2HG2 VAL 67 2HG2 VAL 67 -7.765 0.807 0.957 77 3HG2 VAL 67 3HG2 VAL 67 -6.721 0.025 -0.279 78 H ARG 68 H ARG 68 -7.706 0.647 4.102 79 HA ARG 68 HA ARG 68 -9.380 2.630 3.030 80 1HB ARG 68 1HB ARG 68 -11.128 1.749 4.645 81 2HB ARG 68 2HB ARG 68 -10.442 0.588 3.469 82 1HG ARG 68 1HG ARG 68 -10.751 -0.526 5.557 83 2HG ARG 68 2HG ARG 68 -8.995 -0.402 5.221 84 1HD ARG 68 1HD ARG 68 -8.701 1.282 6.944 85 2HD ARG 68 2HD ARG 68 -10.505 1.456 7.180 86 HE ARG 68 HE ARG 68 -10.022 -1.256 7.591 87 1HH1 ARG 68 1HH1 ARG 68 -9.517 -2.136 9.709 88 2HH1 ARG 68 2HH1 ARG 68 -8.781 -1.133 10.915 89 1HH2 ARG 68 1HH2 ARG 68 -8.653 1.779 8.878 90 2HH2 ARG 68 2HH2 ARG 68 -8.283 1.122 10.437 91 H ALA 69 H ALA 69 -7.128 2.840 5.559 92 HA ALA 69 HA ALA 69 -8.656 4.442 7.317 93 1HB ALA 69 1HB ALA 69 -5.600 4.216 6.940 94 2HB ALA 69 2HB ALA 69 -6.421 4.988 8.348 95 3HB ALA 69 3HB ALA 69 -6.577 3.210 8.075 96 H TYR 70 H TYR 70 -6.643 4.935 4.435 97 HA TYR 70 HA TYR 70 -6.229 7.685 5.038 98 1HB TYR 70 1HB TYR 70 -5.707 6.259 2.360 99 2HB TYR 70 2HB TYR 70 -4.885 7.746 3.007 100 HD1 TYR 70 HD1 TYR 70 -4.032 7.160 5.639 101 HD2 TYR 70 HD2 TYR 70 -4.378 4.462 2.349 102 HE1 TYR 70 HE1 TYR 70 -2.487 5.611 6.739 103 HE2 TYR 70 HE2 TYR 70 -2.787 2.940 3.437 104 HH TYR 70 HH TYR 70 -1.476 3.642 6.676 105 H GLY 71 H GLY 71 -8.208 5.721 2.770 106 1HA GLY 71 2HA GLY 71 -9.314 8.205 1.690 107 2HA GLY 71 1HA GLY 71 -10.374 6.862 2.315 108 H LEU 72 H LEU 72 -7.392 5.745 1.187 109 HA LEU 72 HA LEU 72 -8.075 5.371 -1.576 110 1HB LEU 72 1HB LEU 72 -6.090 3.972 0.299 111 2HB LEU 72 2HB LEU 72 -6.155 3.731 -1.483 112 HG LEU 72 HG LEU 72 -5.468 6.345 0.015 113 1HD1 LEU 72 1HD1 LEU 72 -3.746 4.373 -1.589 114 2HD1 LEU 72 2HD1 LEU 72 -3.170 5.957 -0.961 115 3HD1 LEU 72 3HD1 LEU 72 -3.670 4.651 0.187 116 1HD2 LEU 72 1HD2 LEU 72 -6.602 6.842 -2.163 117 2HD2 LEU 72 2HD2 LEU 72 -4.844 7.259 -2.232 118 3HD2 LEU 72 3HD2 LEU 72 -5.453 5.739 -3.001 119 H ASN 73 H ASN 73 -8.782 3.634 -2.558 120 HA ASN 73 HA ASN 73 -10.195 1.831 -0.801 121 1HB ASN 73 1HB ASN 73 -12.068 1.733 -2.452 122 2HB ASN 73 2HB ASN 73 -11.816 3.411 -1.853 123 1HD2 ASN 73 2HD2 ASN 73 -10.621 4.951 -3.226 124 2HD2 ASN 73 1HD2 ASN 73 -10.676 4.777 -4.949 125 H TYR 74 H TYR 74 -7.527 1.703 -2.021 126 HA TYR 74 HA TYR 74 -6.239 0.106 -2.655 127 1HB TYR 74 1HB TYR 74 -7.326 -1.745 -1.768 128 2HB TYR 74 2HB TYR 74 -8.742 -1.594 -2.853 129 HD1 TYR 74 HD1 TYR 74 -5.187 -2.662 -2.785 130 HD2 TYR 74 HD2 TYR 74 -8.926 -2.640 -4.830 131 HE1 TYR 74 HE1 TYR 74 -4.389 -4.444 -4.264 132 HE2 TYR 74 HE2 TYR 74 -8.132 -4.434 -6.302 133 HH TYR 74 HH TYR 74 -6.493 -5.802 -6.823 134 H SER 75 H SER 75 -8.682 1.428 -4.722 135 HA SER 75 HA SER 75 -7.419 0.380 -7.118 136 1HB SER 75 1HB SER 75 -9.942 0.690 -7.073 137 2HB SER 75 2HB SER 75 -9.683 2.459 -6.805 138 HG SER 75 HG SER 75 -8.739 2.601 -8.774 139 H THR 76 H THR 76 -7.665 3.333 -5.150 140 HA THR 76 HA THR 76 -6.261 4.835 -7.162 141 HB THR 76 HB THR 76 -6.409 6.604 -5.221 142 HG1 THR 76 HG1 THR 76 -7.997 6.075 -3.777 143 1HG2 THR 76 1HG2 THR 76 -7.770 6.589 -7.358 144 2HG2 THR 76 2HG2 THR 76 -8.923 5.419 -6.610 145 3HG2 THR 76 3HG2 THR 76 -8.770 7.086 -5.940 146 H PHE 77 H PHE 77 -5.700 2.916 -4.330 147 HA PHE 77 HA PHE 77 -3.137 3.858 -3.658 148 1HB PHE 77 1HB PHE 77 -4.554 2.167 -2.304 149 2HB PHE 77 2HB PHE 77 -4.299 0.980 -3.614 150 HD1 PHE 77 HD1 PHE 77 -1.872 3.323 -1.845 151 HD2 PHE 77 HD2 PHE 77 -3.011 -0.655 -2.909 152 HE1 PHE 77 HE1 PHE 77 0.095 2.451 -0.695 153 HE2 PHE 77 HE2 PHE 77 -1.035 -1.520 -1.772 154 HZ PHE 77 HZ PHE 77 0.519 0.029 -0.627 155 H ILE 78 H ILE 78 -4.549 1.444 -5.784 156 HA ILE 78 HA ILE 78 -2.322 0.278 -6.777 157 HB ILE 78 HB ILE 78 -5.143 0.295 -7.344 158 1HG1 ILE 78 1HG1 ILE 78 -2.896 -1.642 -8.069 159 2HG1 ILE 78 2HG1 ILE 78 -3.620 -1.512 -6.427 160 1HG2 ILE 78 1HG2 ILE 78 -3.387 0.047 -9.880 161 2HG2 ILE 78 2HG2 ILE 78 -5.128 -0.367 -9.740 162 3HG2 ILE 78 3HG2 ILE 78 -4.631 1.329 -9.570 163 1HD1 ILE 78 1HD1 ILE 78 -5.874 -2.141 -7.391 164 2HD1 ILE 78 2HD1 ILE 78 -5.093 -2.410 -8.996 165 3HD1 ILE 78 3HD1 ILE 78 -4.628 -3.431 -7.593 166 H ASN 79 H ASN 79 -3.968 3.271 -7.842 167 HA ASN 79 HA ASN 79 -2.531 3.366 -10.247 168 1HB ASN 79 1HB ASN 79 -3.395 5.406 -10.760 169 2HB ASN 79 2HB ASN 79 -4.750 4.596 -9.860 170 1HD2 ASN 79 2HD2 ASN 79 -2.339 7.215 -10.035 171 2HD2 ASN 79 1HD2 ASN 79 -3.082 8.268 -8.877 172 H GLY 80 H GLY 80 -2.336 5.044 -7.282 173 1HA GLY 80 2HA GLY 80 -0.652 6.263 -6.249 174 2HA GLY 80 1HA GLY 80 -0.100 6.589 -7.920 175 H LEU 81 H LEU 81 -0.177 3.220 -7.009 176 HA LEU 81 HA LEU 81 2.518 3.079 -6.163 177 1HB LEU 81 1HB LEU 81 1.350 0.939 -7.986 178 2HB LEU 81 2HB LEU 81 2.692 0.792 -6.853 179 HG LEU 81 HG LEU 81 -0.238 1.037 -6.067 180 1HD1 LEU 81 1HD1 LEU 81 0.495 -1.207 -6.859 181 2HD1 LEU 81 2HD1 LEU 81 1.846 -1.192 -5.657 182 3HD1 LEU 81 3HD1 LEU 81 0.132 -1.204 -5.089 183 1HD2 LEU 81 1HD2 LEU 81 2.275 1.008 -4.266 184 2HD2 LEU 81 2HD2 LEU 81 1.058 2.336 -4.399 185 3HD2 LEU 81 3HD2 LEU 81 0.586 0.751 -3.696 186 H LYS 82 H LYS 82 1.032 3.302 -9.410 187 HA LYS 82 HA LYS 82 3.394 2.550 -10.765 188 1HB LYS 82 1HB LYS 82 1.117 2.347 -11.809 189 2HB LYS 82 2HB LYS 82 0.918 4.128 -11.686 190 1HG LYS 82 1HG LYS 82 1.401 3.490 -13.976 191 2HG LYS 82 2HG LYS 82 2.748 4.485 -13.335 192 1HD LYS 82 1HD LYS 82 4.126 2.433 -13.010 193 2HD LYS 82 2HD LYS 82 2.746 1.405 -13.542 194 1HE LYS 82 1HE LYS 82 2.820 2.482 -15.812 195 2HE LYS 82 2HE LYS 82 4.219 3.505 -15.276 196 1HZ LYS 82 1HZ LYS 82 4.151 0.532 -15.346 197 2HZ LYS 82 2HZ LYS 82 4.908 1.549 -16.476 198 3HZ LYS 82 3HZ LYS 82 5.465 1.499 -14.873 199 H LYS 83 H LYS 83 1.877 5.538 -9.623 200 HA LYS 83 HA LYS 83 3.570 7.309 -10.967 201 1HB LYS 83 1HB LYS 83 1.951 7.604 -8.358 202 2HB LYS 83 2HB LYS 83 2.773 8.962 -9.220 203 1HG LYS 83 1HG LYS 83 1.352 8.398 -11.281 204 2HG LYS 83 2HG LYS 83 0.505 7.166 -10.283 205 1HD LYS 83 1HD LYS 83 -0.927 9.035 -10.233 206 2HD LYS 83 2HD LYS 83 -0.080 9.088 -8.646 207 1HE LYS 83 1HE LYS 83 1.482 10.865 -9.623 208 2HE LYS 83 2HE LYS 83 0.542 10.791 -11.165 209 1HZ LYS 83 1HZ LYS 83 -0.549 11.484 -8.486 210 2HZ LYS 83 2HZ LYS 83 -0.171 12.573 -9.734 211 3HZ LYS 83 3HZ LYS 83 -1.416 11.437 -9.946 212 H ALA 84 H ALA 84 3.814 5.448 -7.962 213 HA ALA 84 HA ALA 84 5.983 6.969 -6.939 214 1HB ALA 84 3HB ALA 84 4.465 5.723 -5.400 215 2HB ALA 84 1HB ALA 84 4.928 4.175 -6.189 216 3HB ALA 84 2HB ALA 84 6.150 5.112 -5.251 217 H GLY 85 H GLY 85 5.638 3.634 -8.268 218 1HA GLY 85 2HA GLY 85 8.458 3.746 -9.049 219 2HA GLY 85 1HA GLY 85 7.128 2.870 -9.920 220 H ILE 86 H ILE 86 5.762 1.996 -7.572 221 HA ILE 86 HA ILE 86 7.653 0.303 -6.189 222 HB ILE 86 HB ILE 86 4.783 1.235 -5.713 223 1HG1 ILE 86 1HG1 ILE 86 7.420 1.575 -4.141 224 2HG1 ILE 86 2HG1 ILE 86 6.671 2.815 -5.195 225 1HG2 ILE 86 1HG2 ILE 86 6.418 -0.910 -4.198 226 2HG2 ILE 86 2HG2 ILE 86 4.912 -0.146 -3.565 227 3HG2 ILE 86 3HG2 ILE 86 4.835 -1.119 -5.054 228 1HD1 ILE 86 1HD1 ILE 86 4.587 2.721 -3.709 229 2HD1 ILE 86 2HD1 ILE 86 5.536 1.685 -2.574 230 3HD1 ILE 86 3HD1 ILE 86 6.067 3.369 -2.910 231 H GLU 87 H GLU 87 4.296 0.174 -7.523 232 HA GLU 87 HA GLU 87 3.227 -1.280 -8.751 233 1HB GLU 87 1HB GLU 87 5.936 -1.638 -10.148 234 2HB GLU 87 2HB GLU 87 4.331 -2.081 -10.835 235 1HG GLU 87 1HG GLU 87 3.656 0.301 -10.881 236 2HG GLU 87 2HG GLU 87 5.193 0.793 -10.065 237 H LEU 88 H LEU 88 3.592 -2.503 -6.467 238 HA LEU 88 HA LEU 88 5.197 -4.889 -6.986 239 1HB LEU 88 1HB LEU 88 5.971 -2.910 -5.490 240 2HB LEU 88 2HB LEU 88 4.741 -3.448 -4.317 241 HG LEU 88 HG LEU 88 5.944 -5.757 -4.371 242 1HD1 LEU 88 1HD1 LEU 88 8.132 -4.108 -5.787 243 2HD1 LEU 88 2HD1 LEU 88 8.342 -5.759 -5.094 244 3HD1 LEU 88 3HD1 LEU 88 7.230 -5.506 -6.486 245 1HD2 LEU 88 1HD2 LEU 88 6.165 -4.139 -2.491 246 2HD2 LEU 88 2HD2 LEU 88 7.719 -5.006 -2.783 247 3HD2 LEU 88 3HD2 LEU 88 7.515 -3.305 -3.351 248 H ASP 89 H ASP 89 3.957 -5.277 -3.969 249 HA ASP 89 HA ASP 89 2.209 -6.229 -3.009 250 1HB ASP 89 1HB ASP 89 0.385 -5.786 -5.386 251 2HB ASP 89 2HB ASP 89 -0.020 -6.019 -3.651 252 H ARG 90 H ARG 90 0.263 -7.775 -3.648 253 HA ARG 90 HA ARG 90 -0.471 -9.603 -4.257 254 1HB ARG 90 1HB ARG 90 2.012 -10.294 -5.927 255 2HB ARG 90 2HB ARG 90 0.507 -11.270 -5.823 256 1HG ARG 90 1HG ARG 90 -0.814 -9.395 -6.772 257 2HG ARG 90 2HG ARG 90 0.660 -8.372 -6.870 258 1HD ARG 90 1HD ARG 90 1.684 -9.952 -8.507 259 2HD ARG 90 2HD ARG 90 0.200 -11.008 -8.419 260 HE ARG 90 HE ARG 90 -0.723 -8.385 -8.958 261 1HH1 ARG 90 1HH1 ARG 90 -1.163 -7.712 -11.162 262 2HH1 ARG 90 2HH1 ARG 90 -0.399 -8.522 -12.489 263 1HH2 ARG 90 1HH2 ARG 90 1.423 -10.810 -10.458 264 2HH2 ARG 90 2HH2 ARG 90 1.093 -10.309 -12.083 265 H LYS 91 H LYS 91 0.416 -9.178 -1.935 266 HA LYS 91 HA LYS 91 0.779 -9.980 -0.041 267 1HB LYS 91 1HB LYS 91 1.195 -12.783 -1.302 268 2HB LYS 91 2HB LYS 91 1.200 -12.426 0.460 269 1HG LYS 91 1HG LYS 91 -0.852 -13.414 0.086 270 2HG LYS 91 2HG LYS 91 -1.218 -11.670 0.254 271 1HD LYS 91 1HD LYS 91 -1.378 -11.530 -2.287 272 2HD LYS 91 2HD LYS 91 -1.013 -13.285 -2.384 273 1HE LYS 91 1HE LYS 91 -3.508 -12.045 -1.010 274 2HE LYS 91 2HE LYS 91 -3.464 -12.815 -2.637 275 1HZ LYS 91 1HZ LYS 91 -2.765 -14.863 -1.601 276 2HZ LYS 91 2HZ LYS 91 -2.787 -14.142 -0.063 277 3HZ LYS 91 3HZ LYS 91 -4.232 -14.314 -0.942 278 H ILE 92 H ILE 92 2.431 -8.576 -0.333 279 HA ILE 92 HA ILE 92 5.117 -9.637 -0.256 280 HB ILE 92 HB ILE 92 3.687 -8.245 -2.553 281 1HG1 ILE 92 1HG1 ILE 92 4.056 -10.659 -2.866 282 2HG1 ILE 92 2HG1 ILE 92 4.938 -9.689 -4.063 283 1HG2 ILE 92 1HG2 ILE 92 6.692 -7.952 -1.807 284 2HG2 ILE 92 2HG2 ILE 92 6.075 -7.672 -3.474 285 3HG2 ILE 92 3HG2 ILE 92 5.493 -6.635 -2.133 286 1HD1 ILE 92 1HD1 ILE 92 7.092 -10.077 -2.784 287 2HD1 ILE 92 2HD1 ILE 92 6.179 -11.061 -1.576 288 3HD1 ILE 92 3HD1 ILE 92 6.302 -11.615 -3.282 289 H LEU 93 H LEU 93 2.813 -6.931 -0.843 290 HA LEU 93 HA LEU 93 4.465 -5.203 0.853 291 1HB LEU 93 1HB LEU 93 4.034 -4.260 -1.177 292 2HB LEU 93 2HB LEU 93 2.469 -5.113 -1.272 293 HG LEU 93 HG LEU 93 2.514 -2.998 0.842 294 1HD1 LEU 93 1HD1 LEU 93 4.050 -1.954 -0.676 295 2HD1 LEU 93 2HD1 LEU 93 2.910 -2.142 -2.062 296 3HD1 LEU 93 3HD1 LEU 93 2.466 -1.080 -0.666 297 1HD2 LEU 93 1HD2 LEU 93 0.603 -3.482 -1.535 298 2HD2 LEU 93 2HD2 LEU 93 0.360 -4.042 0.159 299 3HD2 LEU 93 3HD2 LEU 93 0.373 -2.290 -0.208 300 H ALA 94 H ALA 94 1.411 -6.504 0.050 301 HA ALA 94 HA ALA 94 -0.269 -5.921 2.128 302 1HB ALA 94 1HB ALA 94 -0.187 -7.875 0.081 303 2HB ALA 94 2HB ALA 94 -0.024 -8.854 1.628 304 3HB ALA 94 3HB ALA 94 -1.469 -7.809 1.385 305 H ASP 95 H ASP 95 2.439 -8.165 1.922 306 HA ASP 95 HA ASP 95 2.099 -9.610 4.302 307 1HB ASP 95 1HB ASP 95 3.832 -10.415 2.730 308 2HB ASP 95 2HB ASP 95 4.213 -8.759 2.334 309 H MET 96 H MET 96 3.997 -6.797 3.197 310 HA MET 96 HA MET 96 4.893 -6.326 5.822 311 1HB MET 96 1HB MET 96 6.474 -5.399 4.530 312 2HB MET 96 2HB MET 96 5.315 -5.238 3.179 313 1HG MET 96 1HG MET 96 4.433 -3.108 4.170 314 2HG MET 96 2HG MET 96 5.772 -3.205 5.346 315 1HE MET 96 1HE MET 96 4.531 -3.241 1.900 316 2HE MET 96 2HE MET 96 4.693 -1.496 2.277 317 3HE MET 96 3HE MET 96 5.645 -2.219 0.930 318 H ALA 97 H ALA 97 1.825 -5.493 4.417 319 HA ALA 97 HA ALA 97 1.314 -3.170 5.885 320 1HB ALA 97 1HB ALA 97 -0.171 -4.018 3.983 321 2HB ALA 97 2HB ALA 97 -0.721 -5.333 5.086 322 3HB ALA 97 3HB ALA 97 -1.076 -3.618 5.495 323 H VAL 98 H VAL 98 1.104 -6.643 6.638 324 HA VAL 98 HA VAL 98 -0.279 -6.030 9.090 325 HB VAL 98 HB VAL 98 0.780 -8.790 8.435 326 1HG1 VAL 98 1HG1 VAL 98 -1.763 -7.667 9.788 327 2HG1 VAL 98 2HG1 VAL 98 -1.315 -9.409 9.652 328 3HG1 VAL 98 3HG1 VAL 98 -0.304 -8.294 10.644 329 1HG2 VAL 98 1HG2 VAL 98 -1.593 -7.410 7.043 330 2HG2 VAL 98 2HG2 VAL 98 -0.137 -8.199 6.300 331 3HG2 VAL 98 3HG2 VAL 98 -1.360 -9.198 7.143 332 H ARG 99 H ARG 99 2.734 -7.811 8.054 333 HA ARG 99 HA ARG 99 3.460 -7.921 10.751 334 1HB ARG 99 1HB ARG 99 5.531 -9.071 9.598 335 2HB ARG 99 2HB ARG 99 3.969 -9.920 9.896 336 1HG ARG 99 1HG ARG 99 4.633 -8.629 7.194 337 2HG ARG 99 2HG ARG 99 5.273 -10.225 7.670 338 1HD ARG 99 1HD ARG 99 2.246 -9.663 7.238 339 2HD ARG 99 2HD ARG 99 3.352 -10.599 6.233 340 HE ARG 99 HE ARG 99 3.440 -11.619 8.966 341 1HH1 ARG 99 1HH1 ARG 99 2.346 -13.690 9.302 342 2HH1 ARG 99 2HH1 ARG 99 1.177 -14.246 8.153 343 1HH2 ARG 99 1HH2 ARG 99 1.473 -11.425 6.004 344 2HH2 ARG 99 2HH2 ARG 99 0.671 -12.940 6.253 345 H ASP 100 H ASP 100 4.493 -5.824 8.091 346 HA ASP 100 HA ASP 100 6.540 -4.800 9.903 347 1HB ASP 100 1HB ASP 100 7.288 -5.971 7.666 348 2HB ASP 100 2HB ASP 100 6.679 -4.571 6.831 349 HA PRO 101 HA PRO 101 3.355 -1.816 8.458 350 1HB PRO 101 1HB PRO 101 2.531 -0.701 10.903 351 2HB PRO 101 2HB PRO 101 1.888 -2.263 10.248 352 1HG PRO 101 1HG PRO 101 4.136 -1.854 12.284 353 2HG PRO 101 2HG PRO 101 2.750 -3.024 12.360 354 1HD PRO 101 1HD PRO 101 5.305 -3.733 11.431 355 2HD PRO 101 2HD PRO 101 3.825 -4.464 10.654 356 H GLN 102 H GLN 102 6.351 -1.447 10.055 357 HA GLN 102 HA GLN 102 6.345 1.405 10.148 358 1HB GLN 102 1HB GLN 102 7.871 -0.003 11.587 359 2HB GLN 102 2HB GLN 102 8.656 -0.633 10.099 360 1HG GLN 102 1HG GLN 102 9.487 1.673 9.546 361 2HG GLN 102 2HG GLN 102 8.635 2.327 11.002 362 1HE2 GLN 102 2HE2 GLN 102 11.549 1.039 9.787 363 2HE2 GLN 102 1HE2 GLN 102 12.331 0.633 11.279 364 H ALA 103 H ALA 103 7.262 -1.258 7.878 365 HA ALA 103 HA ALA 103 8.525 0.622 6.119 366 1HB ALA 103 1HB ALA 103 7.890 -2.369 5.799 367 2HB ALA 103 3HB ALA 103 9.477 -1.686 6.312 368 3HB ALA 103 2HB ALA 103 8.864 -1.381 4.644 369 H PHE 104 H PHE 104 5.493 -1.351 6.423 370 HA PHE 104 HA PHE 104 4.333 -0.463 4.115 371 1HB PHE 104 1HB PHE 104 3.190 -1.920 5.930 372 2HB PHE 104 2HB PHE 104 2.713 -0.356 6.711 373 HD1 PHE 104 HD1 PHE 104 0.859 0.850 5.816 374 HD2 PHE 104 HD2 PHE 104 2.584 -2.318 3.546 375 HE1 PHE 104 HE1 PHE 104 -1.056 0.893 4.275 376 HE2 PHE 104 HE2 PHE 104 0.658 -2.302 2.057 377 HZ PHE 104 HZ PHE 104 -1.176 -0.716 2.384 378 H GLU 105 H GLU 105 4.684 1.439 7.178 379 HA GLU 105 HA GLU 105 3.056 3.515 6.312 380 1HB GLU 105 1HB GLU 105 3.804 3.036 8.692 381 2HB GLU 105 2HB GLU 105 5.414 3.711 8.262 382 1HG GLU 105 1HG GLU 105 4.343 5.939 7.794 383 2HG GLU 105 2HG GLU 105 2.716 5.221 8.134 384 H GLN 106 H GLN 106 6.471 2.767 5.648 385 HA GLN 106 HA GLN 106 7.148 5.397 4.818 386 1HB GLN 106 1HB GLN 106 8.336 2.615 4.241 387 2HB GLN 106 2HB GLN 106 9.001 4.107 3.534 388 1HG GLN 106 1HG GLN 106 8.786 3.491 6.566 389 2HG GLN 106 2HG GLN 106 10.286 3.364 5.569 390 1HE2 GLN 106 2HE2 GLN 106 8.611 5.318 7.702 391 2HE2 GLN 106 1HE2 GLN 106 9.230 6.876 7.265 392 H VAL 107 H VAL 107 5.850 2.490 3.299 393 HA VAL 107 HA VAL 107 6.235 3.368 0.628 394 HB VAL 107 HB VAL 107 4.617 1.191 1.995 395 1HG1 VAL 107 1HG1 VAL 107 4.337 2.124 -0.931 396 2HG1 VAL 107 2HG1 VAL 107 3.968 0.453 -0.390 397 3HG1 VAL 107 3HG1 VAL 107 3.026 1.828 0.274 398 1HG2 VAL 107 1HG2 VAL 107 6.872 1.340 -0.114 399 2HG2 VAL 107 2HG2 VAL 107 7.044 0.881 1.627 400 3HG2 VAL 107 3HG2 VAL 107 6.132 -0.184 0.486 401 H VAL 108 H VAL 108 3.679 3.557 3.047 402 HA VAL 108 HA VAL 108 1.696 4.596 1.380 403 HB VAL 108 HB VAL 108 2.263 4.595 4.356 404 1HG1 VAL 108 1HG1 VAL 108 -0.085 6.007 2.932 405 2HG1 VAL 108 2HG1 VAL 108 -0.048 5.565 4.681 406 3HG1 VAL 108 3HG1 VAL 108 1.132 6.758 4.049 407 1HG2 VAL 108 1HG2 VAL 108 1.500 2.540 3.031 408 2HG2 VAL 108 2HG2 VAL 108 0.353 3.046 4.322 409 3HG2 VAL 108 3HG2 VAL 108 0.001 3.436 2.595 410 H ASN 109 H ASN 109 4.245 6.132 3.384 411 HA ASN 109 HA ASN 109 3.421 8.742 2.941 412 1HB ASN 109 1HB ASN 109 5.158 8.123 4.658 413 2HB ASN 109 2HB ASN 109 6.292 7.684 3.326 414 1HD2 ASN 109 2HD2 ASN 109 4.148 10.435 4.396 415 2HD2 ASN 109 1HD2 ASN 109 5.247 11.702 3.965 416 H LYS 110 H LYS 110 5.501 6.553 1.021 417 HA LYS 110 HA LYS 110 6.415 8.519 -0.733 418 1HB LYS 110 1HB LYS 110 7.534 6.306 -0.356 419 2HB LYS 110 2HB LYS 110 6.148 5.486 -1.152 420 1HG LYS 110 1HG LYS 110 6.677 6.604 -3.301 421 2HG LYS 110 2HG LYS 110 7.988 7.554 -2.514 422 1HD LYS 110 1HD LYS 110 9.244 5.454 -2.052 423 2HD LYS 110 2HD LYS 110 7.891 4.481 -2.724 424 1HE LYS 110 1HE LYS 110 8.237 5.618 -4.977 425 2HE LYS 110 2HE LYS 110 9.689 6.450 -4.288 426 1HZ LYS 110 1HZ LYS 110 9.254 3.509 -4.437 427 2HZ LYS 110 2HZ LYS 110 10.241 4.435 -5.465 428 3HZ LYS 110 3HZ LYS 110 10.629 4.293 -3.817 429 H VAL 111 H VAL 111 3.461 6.500 -0.700 430 HA VAL 111 HA VAL 111 2.862 7.199 -3.448 431 HB VAL 111 HB VAL 111 1.535 5.473 -1.278 432 1HG1 VAL 111 1HG1 VAL 111 0.542 5.980 -4.164 433 2HG1 VAL 111 2HG1 VAL 111 -0.022 4.635 -3.110 434 3HG1 VAL 111 3HG1 VAL 111 -0.350 6.333 -2.630 435 1HG2 VAL 111 1HG2 VAL 111 3.646 4.588 -2.395 436 2HG2 VAL 111 2HG2 VAL 111 2.194 3.593 -2.768 437 3HG2 VAL 111 3HG2 VAL 111 2.831 4.750 -3.993 438 H LYS 112 H LYS 112 2.288 8.537 -0.318 439 HA LYS 112 HA LYS 112 -0.093 9.864 -1.302 440 1HB LYS 112 1HB LYS 112 1.482 9.789 1.269 441 2HB LYS 112 2HB LYS 112 0.654 11.337 0.890 442 1HG LYS 112 1HG LYS 112 -0.718 9.740 2.309 443 2HG LYS 112 2HG LYS 112 -1.508 10.340 0.811 444 1HD LYS 112 1HD LYS 112 -0.982 8.187 -0.363 445 2HD LYS 112 2HD LYS 112 -0.140 7.606 1.095 446 1HE LYS 112 1HE LYS 112 -2.402 6.626 1.061 447 2HE LYS 112 2HE LYS 112 -2.322 7.822 2.414 448 1HZ LYS 112 1HZ LYS 112 -3.344 9.445 0.955 449 2HZ LYS 112 2HZ LYS 112 -3.440 8.304 -0.301 450 3HZ LYS 112 3HZ LYS 112 -4.317 8.065 1.135 451 H GLU 113 H GLU 113 3.274 10.110 -1.575 452 HA GLU 113 HA GLU 113 3.209 12.987 -1.982 453 1HB GLU 113 1HB GLU 113 4.871 11.756 -0.635 454 2HB GLU 113 2HB GLU 113 5.338 10.750 -2.017 455 1HG GLU 113 1HG GLU 113 6.221 12.610 -3.298 456 2HG GLU 113 2HG GLU 113 5.702 13.800 -2.041 457 H ALA 114 H ALA 114 3.331 9.888 -3.355 458 HA ALA 114 HA ALA 114 4.503 10.718 -5.895 459 1HB ALA 114 1HB ALA 114 2.955 8.117 -5.316 460 2HB ALA 114 3HB ALA 114 4.754 8.287 -5.225 461 3HB ALA 114 2HB ALA 114 3.902 8.477 -6.799 462 H LEU 115 H LEU 115 1.463 10.181 -4.419 463 HA LEU 115 HA LEU 115 -0.217 10.576 -6.785 464 1HB LEU 115 1HB LEU 115 -0.960 9.018 -4.978 465 2HB LEU 115 2HB LEU 115 -0.850 10.393 -3.817 466 HG LEU 115 HG LEU 115 -2.432 11.652 -5.162 467 1HD1 LEU 115 1HD1 LEU 115 -2.806 9.044 -6.790 468 2HD1 LEU 115 2HD1 LEU 115 -3.945 10.444 -6.849 469 3HD1 LEU 115 3HD1 LEU 115 -2.253 10.641 -7.423 470 1HD2 LEU 115 1HD2 LEU 115 -3.156 10.217 -3.184 471 2HD2 LEU 115 2HD2 LEU 115 -4.486 10.405 -4.392 472 3HD2 LEU 115 3HD2 LEU 115 -3.535 8.873 -4.317 473 H GLN 116 H GLN 116 1.198 12.015 -3.981 474 HA GLN 116 HA GLN 116 1.458 14.083 -3.300 475 1HB GLN 116 1HB GLN 116 2.358 14.378 -5.702 476 2HB GLN 116 2HB GLN 116 0.829 15.247 -6.039 477 1HG GLN 116 1HG GLN 116 1.391 16.877 -4.168 478 2HG GLN 116 2HG GLN 116 2.903 15.941 -3.839 479 1HE2 GLN 116 2HE2 GLN 116 1.501 18.510 -5.601 480 2HE2 GLN 116 1HE2 GLN 116 2.738 18.752 -6.789 481 H VAL 117 H VAL 117 -0.795 12.952 -2.629 482 HA VAL 117 HA VAL 117 -2.816 15.039 -2.804 483 HB VAL 117 HB VAL 117 -3.485 12.616 -3.061 484 1HG1 VAL 117 1HG1 VAL 117 -1.793 11.647 -1.468 485 2HG1 VAL 117 2HG1 VAL 117 -2.661 12.408 -0.077 486 3HG1 VAL 117 3HG1 VAL 117 -3.473 11.153 -1.067 487 1HG2 VAL 117 1HG2 VAL 117 -5.064 14.413 -2.317 488 2HG2 VAL 117 2HG2 VAL 117 -5.459 12.798 -1.619 489 3HG2 VAL 117 3HG2 VAL 117 -4.669 14.045 -0.594 490 H GLN 118 H GLN 118 0.020 13.982 -1.345 491 HA GLN 118 HA GLN 118 -0.343 14.368 1.308 492 1HB GLN 118 1HB GLN 118 1.992 14.949 1.601 493 2HB GLN 118 2HB GLN 118 1.812 13.573 0.463 494 1HG GLN 118 1HG GLN 118 2.224 15.083 -1.477 495 2HG GLN 118 2HG GLN 118 2.294 16.520 -0.385 496 1HE2 GLN 118 2HE2 GLN 118 4.463 16.756 -1.372 497 2HE2 GLN 118 1HE2 GLN 118 5.802 15.925 -0.655 No H/Q in entry = 497 Start of MODEL 17 1 H1 TRP 59 1H TRP 59 -5.172 -11.751 -4.026 2 H2 TRP 59 2H TRP 59 -4.317 -10.832 -5.171 3 H3 TRP 59 3H TRP 59 -3.514 -12.029 -4.270 4 HA TRP 59 HA TRP 59 -3.895 -10.820 -2.264 5 1HB TRP 59 1HB TRP 59 -2.334 -8.862 -2.825 6 2HB TRP 59 2HB TRP 59 -1.762 -10.441 -3.249 7 HD1 TRP 59 HD1 TRP 59 -3.191 -7.312 -5.152 8 HE1 TRP 59 HE1 TRP 59 -2.105 -7.366 -7.471 9 HE3 TRP 59 HE3 TRP 59 -0.849 -11.798 -4.787 10 HZ2 TRP 59 HZ2 TRP 59 -0.415 -9.097 -8.938 11 HZ3 TRP 59 HZ3 TRP 59 0.550 -12.563 -6.646 12 HH2 TRP 59 HH2 TRP 59 0.759 -11.242 -8.693 13 H ILE 60 H ILE 60 -5.629 -9.987 -1.237 14 HA ILE 60 HA ILE 60 -7.179 -8.133 -2.782 15 HB ILE 60 HB ILE 60 -9.287 -9.394 -2.032 16 1HG1 ILE 60 1HG1 ILE 60 -8.212 -11.312 -0.827 17 2HG1 ILE 60 2HG1 ILE 60 -9.218 -11.784 -2.235 18 1HG2 ILE 60 1HG2 ILE 60 -8.666 -8.621 -4.228 19 2HG2 ILE 60 2HG2 ILE 60 -7.553 -10.015 -4.484 20 3HG2 ILE 60 3HG2 ILE 60 -9.333 -10.296 -4.329 21 1HD1 ILE 60 1HD1 ILE 60 -6.950 -11.889 -3.560 22 2HD1 ILE 60 2HD1 ILE 60 -6.185 -11.843 -1.933 23 3HD1 ILE 60 3HD1 ILE 60 -7.293 -13.201 -2.352 24 H ALA 61 H ALA 61 -8.168 -9.977 0.125 25 HA ALA 61 HA ALA 61 -9.393 -7.629 1.156 26 1HB ALA 61 1HB ALA 61 -9.045 -10.452 2.350 27 2HB ALA 61 3HB ALA 61 -10.467 -9.912 1.380 28 3HB ALA 61 2HB ALA 61 -10.144 -9.175 2.997 29 H ARG 62 H ARG 62 -6.440 -9.287 1.341 30 HA ARG 62 HA ARG 62 -5.455 -8.668 3.862 31 1HB ARG 62 1HB ARG 62 -4.512 -9.334 1.058 32 2HB ARG 62 2HB ARG 62 -3.262 -8.724 2.169 33 1HG ARG 62 1HG ARG 62 -5.039 -10.935 3.230 34 2HG ARG 62 2HG ARG 62 -3.958 -11.364 1.884 35 1HD ARG 62 1HD ARG 62 -2.736 -11.809 4.011 36 2HD ARG 62 2HD ARG 62 -1.957 -10.450 3.102 37 HE ARG 62 HE ARG 62 -2.632 -8.950 4.798 38 1HH1 ARG 62 1HH1 ARG 62 -3.532 -8.415 6.883 39 2HH1 ARG 62 2HH1 ARG 62 -4.512 -9.562 7.735 40 1HH2 ARG 62 1HH2 ARG 62 -4.291 -12.091 5.249 41 2HH2 ARG 62 2HH2 ARG 62 -4.946 -11.670 6.797 42 H ILE 63 H ILE 63 -5.592 -6.864 0.702 43 HA ILE 63 HA ILE 63 -3.816 -4.880 1.651 44 HB ILE 63 HB ILE 63 -5.361 -5.713 -0.835 45 1HG1 ILE 63 1HG1 ILE 63 -2.416 -5.128 -0.256 46 2HG1 ILE 63 2HG1 ILE 63 -3.179 -6.727 0.031 47 1HG2 ILE 63 1HG2 ILE 63 -3.956 -3.029 -0.299 48 2HG2 ILE 63 2HG2 ILE 63 -4.260 -3.688 -1.950 49 3HG2 ILE 63 3HG2 ILE 63 -5.653 -3.332 -0.882 50 1HD1 ILE 63 1HD1 ILE 63 -3.208 -5.344 -2.742 51 2HD1 ILE 63 2HD1 ILE 63 -1.957 -6.500 -2.214 52 3HD1 ILE 63 3HD1 ILE 63 -3.677 -7.035 -2.347 53 H ASN 64 H ASN 64 -7.231 -5.455 0.782 54 HA ASN 64 HA ASN 64 -8.139 -2.869 1.000 55 1HB ASN 64 1HB ASN 64 -9.307 -5.632 1.216 56 2HB ASN 64 2HB ASN 64 -10.269 -4.306 1.934 57 1HD2 ASN 64 2HD2 ASN 64 -11.632 -3.284 0.554 58 2HD2 ASN 64 1HD2 ASN 64 -11.440 -3.118 -1.160 59 H ALA 65 H ALA 65 -7.188 -5.155 3.463 60 HA ALA 65 HA ALA 65 -8.786 -3.836 5.490 61 1HB ALA 65 2HB ALA 65 -7.607 -5.371 7.119 62 2HB ALA 65 3HB ALA 65 -8.316 -6.303 5.748 63 3HB ALA 65 1HB ALA 65 -6.547 -5.945 5.776 64 H ALA 66 H ALA 66 -5.520 -3.590 4.152 65 HA ALA 66 HA ALA 66 -4.558 -2.266 6.518 66 1HB ALA 66 1HB ALA 66 -3.315 -2.581 3.721 67 2HB ALA 66 2HB ALA 66 -2.479 -1.915 5.176 68 3HB ALA 66 3HB ALA 66 -2.986 -3.646 5.141 69 H VAL 67 H VAL 67 -5.874 -1.421 3.284 70 HA VAL 67 HA VAL 67 -4.627 1.142 3.422 71 HB VAL 67 HB VAL 67 -5.573 1.508 1.187 72 1HG1 VAL 67 1HG1 VAL 67 -4.133 -1.185 1.575 73 2HG1 VAL 67 2HG1 VAL 67 -4.267 -0.259 0.037 74 3HG1 VAL 67 3HG1 VAL 67 -3.382 0.443 1.443 75 1HG2 VAL 67 1HG2 VAL 67 -6.974 -1.181 1.693 76 2HG2 VAL 67 2HG2 VAL 67 -7.738 0.404 1.331 77 3HG2 VAL 67 3HG2 VAL 67 -6.772 -0.430 0.072 78 H ARG 68 H ARG 68 -7.584 -0.236 4.481 79 HA ARG 68 HA ARG 68 -9.300 1.827 3.703 80 1HB ARG 68 1HB ARG 68 -10.979 0.701 5.128 81 2HB ARG 68 2HB ARG 68 -10.056 -0.488 4.179 82 1HG ARG 68 1HG ARG 68 -8.582 -0.843 6.259 83 2HG ARG 68 2HG ARG 68 -9.743 0.185 7.169 84 1HD ARG 68 1HD ARG 68 -11.609 -1.413 6.555 85 2HD ARG 68 2HD ARG 68 -10.382 -2.446 5.689 86 HE ARG 68 HE ARG 68 -9.544 -1.869 8.425 87 1HH1 ARG 68 1HH1 ARG 68 -9.760 -3.597 10.004 88 2HH1 ARG 68 2HH1 ARG 68 -10.782 -4.955 9.673 89 1HH2 ARG 68 1HH2 ARG 68 -11.812 -3.810 6.467 90 2HH2 ARG 68 2HH2 ARG 68 -11.963 -5.077 7.637 91 H ALA 69 H ALA 69 -7.005 1.546 6.300 92 HA ALA 69 HA ALA 69 -8.378 3.193 8.144 93 1HB ALA 69 2HB ALA 69 -6.149 3.313 9.303 94 2HB ALA 69 1HB ALA 69 -5.374 2.544 7.866 95 3HB ALA 69 3HB ALA 69 -6.553 1.610 8.863 96 H TYR 70 H TYR 70 -6.166 3.683 5.398 97 HA TYR 70 HA TYR 70 -5.355 6.255 6.253 98 1HB TYR 70 1HB TYR 70 -5.072 4.758 3.571 99 2HB TYR 70 2HB TYR 70 -4.331 6.383 3.916 100 HD1 TYR 70 HD1 TYR 70 -4.321 2.798 4.849 101 HD2 TYR 70 HD2 TYR 70 -2.506 6.609 5.418 102 HE1 TYR 70 HE1 TYR 70 -2.446 1.729 6.019 103 HE2 TYR 70 HE2 TYR 70 -0.622 5.534 6.576 104 HH TYR 70 HH TYR 70 -0.502 1.997 7.035 105 H GLY 71 H GLY 71 -7.657 4.930 3.811 106 1HA GLY 71 2HA GLY 71 -8.451 7.694 3.221 107 2HA GLY 71 1HA GLY 71 -9.642 6.359 3.545 108 H LEU 72 H LEU 72 -6.803 5.123 2.259 109 HA LEU 72 HA LEU 72 -7.408 5.401 -0.537 110 1HB LEU 72 1HB LEU 72 -5.755 3.445 1.146 111 2HB LEU 72 2HB LEU 72 -5.816 3.365 -0.651 112 HG LEU 72 HG LEU 72 -4.815 5.787 0.975 113 1HD1 LEU 72 1HD1 LEU 72 -3.235 3.464 -0.279 114 2HD1 LEU 72 2HD1 LEU 72 -2.505 4.974 0.399 115 3HD1 LEU 72 3HD1 LEU 72 -3.404 3.834 1.475 116 1HD2 LEU 72 1HD2 LEU 72 -4.566 5.044 -2.008 117 2HD2 LEU 72 2HD2 LEU 72 -5.551 6.381 -1.315 118 3HD2 LEU 72 3HD2 LEU 72 -3.748 6.449 -1.215 119 H ASN 73 H ASN 73 -8.363 3.897 -1.838 120 HA ASN 73 HA ASN 73 -9.974 1.985 -0.399 121 1HB ASN 73 1HB ASN 73 -11.803 2.283 -2.015 122 2HB ASN 73 2HB ASN 73 -11.397 3.871 -1.267 123 1HD2 ASN 73 2HD2 ASN 73 -12.320 2.495 -4.054 124 2HD2 ASN 73 1HD2 ASN 73 -11.556 3.510 -5.232 125 H TYR 74 H TYR 74 -7.303 2.252 -1.906 126 HA TYR 74 HA TYR 74 -5.961 0.842 -2.730 127 1HB TYR 74 1HB TYR 74 -7.279 -1.139 -1.863 128 2HB TYR 74 2HB TYR 74 -8.206 -1.143 -3.410 129 HD1 TYR 74 HD1 TYR 74 -7.670 -3.261 -4.117 130 HD2 TYR 74 HD2 TYR 74 -4.470 -0.612 -3.098 131 HE1 TYR 74 HE1 TYR 74 -6.073 -4.738 -5.229 132 HE2 TYR 74 HE2 TYR 74 -2.913 -2.048 -4.281 133 HH TYR 74 HH TYR 74 -2.607 -3.920 -5.451 134 H SER 75 H SER 75 -8.517 2.316 -4.383 135 HA SER 75 HA SER 75 -7.734 1.426 -7.013 136 1HB SER 75 1HB SER 75 -10.147 2.031 -6.583 137 2HB SER 75 2HB SER 75 -9.622 3.713 -6.176 138 HG SER 75 HG SER 75 -8.919 3.975 -8.231 139 H THR 76 H THR 76 -7.404 4.167 -4.781 140 HA THR 76 HA THR 76 -6.119 5.784 -6.749 141 HB THR 76 HB THR 76 -5.565 7.093 -4.507 142 HG1 THR 76 HG1 THR 76 -6.958 6.523 -2.889 143 1HG2 THR 76 1HG2 THR 76 -8.459 6.672 -5.559 144 2HG2 THR 76 2HG2 THR 76 -7.888 8.085 -4.595 145 3HG2 THR 76 3HG2 THR 76 -7.243 7.811 -6.256 146 H PHE 77 H PHE 77 -5.294 3.540 -4.145 147 HA PHE 77 HA PHE 77 -2.582 4.193 -3.971 148 1HB PHE 77 1HB PHE 77 -3.895 2.511 -2.430 149 2HB PHE 77 2HB PHE 77 -3.739 1.332 -3.780 150 HD1 PHE 77 HD1 PHE 77 -1.802 0.041 -3.982 151 HD2 PHE 77 HD2 PHE 77 -1.600 3.715 -1.798 152 HE1 PHE 77 HE1 PHE 77 0.561 -0.332 -3.525 153 HE2 PHE 77 HE2 PHE 77 0.755 3.280 -1.296 154 HZ PHE 77 HZ PHE 77 1.855 1.272 -2.217 155 H ILE 78 H ILE 78 -4.590 2.086 -5.899 156 HA ILE 78 HA ILE 78 -2.818 0.547 -7.191 157 HB ILE 78 HB ILE 78 -5.559 1.089 -7.513 158 1HG1 ILE 78 1HG1 ILE 78 -3.681 -1.149 -8.453 159 2HG1 ILE 78 2HG1 ILE 78 -4.135 -0.930 -6.725 160 1HG2 ILE 78 1HG2 ILE 78 -3.930 0.620 -10.082 161 2HG2 ILE 78 2HG2 ILE 78 -5.723 0.440 -9.905 162 3HG2 ILE 78 3HG2 ILE 78 -4.997 2.063 -9.728 163 1HD1 ILE 78 1HD1 ILE 78 -6.538 -1.242 -7.265 164 2HD1 ILE 78 2HD1 ILE 78 -6.117 -1.562 -8.995 165 3HD1 ILE 78 3HD1 ILE 78 -5.538 -2.675 -7.693 166 H ASN 79 H ASN 79 -3.883 3.863 -7.968 167 HA ASN 79 HA ASN 79 -2.570 3.807 -10.460 168 1HB ASN 79 1HB ASN 79 -3.258 5.959 -10.893 169 2HB ASN 79 2HB ASN 79 -4.614 5.201 -9.969 170 1HD2 ASN 79 2HD2 ASN 79 -5.592 6.427 -8.539 171 2HD2 ASN 79 1HD2 ASN 79 -4.996 7.918 -7.888 172 H GLY 80 H GLY 80 -2.023 5.522 -7.524 173 1HA GLY 80 2HA GLY 80 -0.268 6.947 -6.894 174 2HA GLY 80 1HA GLY 80 0.236 6.834 -8.604 175 H LEU 81 H LEU 81 0.082 3.794 -7.109 176 HA LEU 81 HA LEU 81 2.645 3.473 -6.071 177 1HB LEU 81 1HB LEU 81 0.585 2.057 -6.032 178 2HB LEU 81 2HB LEU 81 0.902 1.630 -7.786 179 HG LEU 81 HG LEU 81 2.335 0.790 -5.224 180 1HD1 LEU 81 1HD1 LEU 81 0.091 -0.200 -5.815 181 2HD1 LEU 81 2HD1 LEU 81 0.752 -0.782 -7.368 182 3HD1 LEU 81 3HD1 LEU 81 1.415 -1.425 -5.799 183 1HD2 LEU 81 1HD2 LEU 81 4.088 1.025 -7.026 184 2HD2 LEU 81 2HD2 LEU 81 3.823 -0.634 -6.481 185 3HD2 LEU 81 3HD2 LEU 81 3.131 -0.106 -8.074 186 H LYS 82 H LYS 82 1.226 3.285 -9.388 187 HA LYS 82 HA LYS 82 3.543 2.230 -10.543 188 1HB LYS 82 1HB LYS 82 1.156 2.090 -11.454 189 2HB LYS 82 2HB LYS 82 1.287 3.834 -11.869 190 1HG LYS 82 1HG LYS 82 3.187 3.299 -13.434 191 2HG LYS 82 2HG LYS 82 3.101 1.578 -12.934 192 1HD LYS 82 1HD LYS 82 2.004 1.852 -15.097 193 2HD LYS 82 2HD LYS 82 0.798 1.385 -13.847 194 1HE LYS 82 1HE LYS 82 -0.091 3.131 -15.415 195 2HE LYS 82 2HE LYS 82 -0.005 3.774 -13.728 196 1HZ LYS 82 1HZ LYS 82 2.000 4.220 -15.877 197 2HZ LYS 82 2HZ LYS 82 0.829 5.328 -15.341 198 3HZ LYS 82 3HZ LYS 82 2.073 4.833 -14.294 199 H LYS 83 H LYS 83 2.283 5.515 -9.960 200 HA LYS 83 HA LYS 83 4.102 6.845 -11.614 201 1HB LYS 83 1HB LYS 83 2.053 7.943 -10.821 202 2HB LYS 83 2HB LYS 83 2.562 7.782 -9.114 203 1HG LYS 83 1HG LYS 83 4.405 9.369 -9.448 204 2HG LYS 83 2HG LYS 83 4.209 9.309 -11.236 205 1HD LYS 83 1HD LYS 83 2.018 10.427 -11.094 206 2HD LYS 83 2HD LYS 83 2.117 10.473 -9.301 207 1HE LYS 83 1HE LYS 83 4.096 11.896 -11.197 208 2HE LYS 83 2HE LYS 83 2.724 12.679 -10.309 209 1HZ LYS 83 1HZ LYS 83 3.734 11.989 -8.244 210 2HZ LYS 83 2HZ LYS 83 5.023 11.258 -9.071 211 3HZ LYS 83 3HZ LYS 83 4.801 12.939 -9.164 212 H ALA 84 H ALA 84 4.190 5.718 -8.216 213 HA ALA 84 HA ALA 84 6.584 7.035 -7.561 214 1HB ALA 84 3HB ALA 84 5.133 6.342 -5.738 215 2HB ALA 84 1HB ALA 84 5.118 4.649 -6.328 216 3HB ALA 84 2HB ALA 84 6.630 5.348 -5.639 217 H GLY 85 H GLY 85 5.937 3.526 -8.077 218 1HA GLY 85 2HA GLY 85 8.696 3.236 -9.015 219 2HA GLY 85 1HA GLY 85 7.305 2.089 -9.263 220 H ILE 86 H ILE 86 6.106 2.050 -6.925 221 HA ILE 86 HA ILE 86 8.064 1.821 -4.826 222 HB ILE 86 HB ILE 86 5.683 3.042 -5.094 223 1HG1 ILE 86 1HG1 ILE 86 7.409 3.720 -3.582 224 2HG1 ILE 86 2HG1 ILE 86 5.855 3.571 -2.704 225 1HG2 ILE 86 1HG2 ILE 86 4.598 0.613 -4.828 226 2HG2 ILE 86 2HG2 ILE 86 4.909 0.935 -3.090 227 3HG2 ILE 86 3HG2 ILE 86 3.897 2.066 -4.028 228 1HD1 ILE 86 1HD1 ILE 86 6.654 1.284 -1.852 229 2HD1 ILE 86 2HD1 ILE 86 8.255 1.629 -2.582 230 3HD1 ILE 86 3HD1 ILE 86 7.634 2.687 -1.268 231 H GLU 87 H GLU 87 7.546 0.065 -3.088 232 HA GLU 87 HA GLU 87 7.437 -2.529 -4.212 233 1HB GLU 87 1HB GLU 87 6.972 -1.554 -1.328 234 2HB GLU 87 2HB GLU 87 7.179 -3.273 -1.817 235 1HG GLU 87 1HG GLU 87 9.512 -2.803 -2.569 236 2HG GLU 87 2HG GLU 87 9.322 -1.058 -2.133 237 H LEU 88 H LEU 88 5.665 -3.610 -4.775 238 HA LEU 88 HA LEU 88 3.305 -1.997 -4.702 239 1HB LEU 88 1HB LEU 88 2.634 -3.919 -6.415 240 2HB LEU 88 2HB LEU 88 3.623 -2.508 -6.910 241 HG LEU 88 HG LEU 88 4.312 -4.635 -7.819 242 1HD1 LEU 88 1HD1 LEU 88 5.830 -2.699 -7.794 243 2HD1 LEU 88 2HD1 LEU 88 6.629 -3.341 -6.308 244 3HD1 LEU 88 3HD1 LEU 88 6.683 -4.287 -7.831 245 1HD2 LEU 88 1HD2 LEU 88 4.050 -6.163 -5.838 246 2HD2 LEU 88 2HD2 LEU 88 5.700 -6.289 -6.565 247 3HD2 LEU 88 3HD2 LEU 88 5.453 -5.371 -5.035 248 H ASP 89 H ASP 89 1.243 -2.612 -4.192 249 HA ASP 89 HA ASP 89 1.051 -4.355 -1.997 250 1HB ASP 89 1HB ASP 89 -1.079 -3.009 -3.724 251 2HB ASP 89 2HB ASP 89 -1.462 -4.114 -2.360 252 H ARG 90 H ARG 90 1.306 -6.347 -2.008 253 HA ARG 90 HA ARG 90 -0.544 -7.861 -3.615 254 1HB ARG 90 1HB ARG 90 2.264 -8.740 -2.757 255 2HB ARG 90 2HB ARG 90 1.022 -9.841 -3.463 256 1HG ARG 90 1HG ARG 90 0.987 -8.562 -5.561 257 2HG ARG 90 2HG ARG 90 2.185 -7.386 -4.919 258 1HD ARG 90 1HD ARG 90 2.777 -10.404 -5.236 259 2HD ARG 90 2HD ARG 90 3.213 -9.114 -6.446 260 HE ARG 90 HE ARG 90 4.130 -8.332 -3.816 261 1HH1 ARG 90 1HH1 ARG 90 6.435 -8.547 -3.370 262 2HH1 ARG 90 2HH1 ARG 90 7.410 -9.600 -4.339 263 1HH2 ARG 90 1HH2 ARG 90 4.744 -10.667 -6.440 264 2HH2 ARG 90 2HH2 ARG 90 6.438 -10.821 -6.106 265 H LYS 91 H LYS 91 -0.297 -10.224 -1.908 266 HA LYS 91 HA LYS 91 -1.224 -9.083 0.613 267 1HB LYS 91 1HB LYS 91 -1.961 -11.448 1.093 268 2HB LYS 91 2HB LYS 91 -2.829 -10.670 -0.276 269 1HG LYS 91 1HG LYS 91 -1.504 -12.030 -1.885 270 2HG LYS 91 2HG LYS 91 -0.485 -12.656 -0.544 271 1HD LYS 91 1HD LYS 91 -2.105 -14.354 -1.137 272 2HD LYS 91 2HD LYS 91 -2.461 -13.724 0.510 273 1HE LYS 91 1HE LYS 91 -4.351 -12.299 -0.498 274 2HE LYS 91 2HE LYS 91 -3.988 -13.044 -2.094 275 1HZ LYS 91 1HZ LYS 91 -4.435 -15.200 -1.139 276 2HZ LYS 91 2HZ LYS 91 -4.769 -14.502 0.373 277 3HZ LYS 91 3HZ LYS 91 -5.760 -14.153 -0.963 278 H ILE 92 H ILE 92 1.247 -9.955 -1.023 279 HA ILE 92 HA ILE 92 2.851 -11.485 0.828 280 HB ILE 92 HB ILE 92 2.306 -10.930 -2.093 281 1HG1 ILE 92 1HG1 ILE 92 3.286 -13.539 -0.797 282 2HG1 ILE 92 2HG1 ILE 92 1.578 -12.998 -0.787 283 1HG2 ILE 92 1HG2 ILE 92 5.153 -11.780 -1.129 284 2HG2 ILE 92 2HG2 ILE 92 4.590 -11.820 -2.840 285 3HG2 ILE 92 3HG2 ILE 92 4.732 -10.252 -1.995 286 1HD1 ILE 92 1HD1 ILE 92 1.556 -12.929 -3.295 287 2HD1 ILE 92 2HD1 ILE 92 3.255 -13.537 -3.325 288 3HD1 ILE 92 3HD1 ILE 92 1.938 -14.572 -2.661 289 H LEU 93 H LEU 93 1.979 -8.392 -0.472 290 HA LEU 93 HA LEU 93 4.522 -7.223 0.616 291 1HB LEU 93 1HB LEU 93 3.910 -6.153 -1.289 292 2HB LEU 93 2HB LEU 93 2.205 -6.123 -0.829 293 HG LEU 93 HG LEU 93 4.122 -4.510 0.796 294 1HD1 LEU 93 1HD1 LEU 93 4.632 -3.938 -1.614 295 2HD1 LEU 93 2HD1 LEU 93 3.012 -3.107 -1.622 296 3HD1 LEU 93 3HD1 LEU 93 4.263 -2.596 -0.460 297 1HD2 LEU 93 1HD2 LEU 93 1.165 -4.065 -0.010 298 2HD2 LEU 93 2HD2 LEU 93 1.854 -4.207 1.648 299 3HD2 LEU 93 3HD2 LEU 93 2.183 -2.740 0.664 300 H ALA 94 H ALA 94 1.068 -7.398 0.654 301 HA ALA 94 HA ALA 94 0.823 -5.688 2.846 302 1HB ALA 94 1HB ALA 94 -1.087 -6.019 1.315 303 2HB ALA 94 2HB ALA 94 -1.308 -7.687 2.034 304 3HB ALA 94 3HB ALA 94 -1.526 -6.251 3.076 305 H ASP 95 H ASP 95 2.409 -8.359 2.963 306 HA ASP 95 HA ASP 95 1.572 -9.149 5.589 307 1HB ASP 95 1HB ASP 95 3.543 -10.291 5.675 308 2HB ASP 95 2HB ASP 95 2.946 -10.525 3.977 309 H MET 96 H MET 96 3.792 -7.056 3.892 310 HA MET 96 HA MET 96 4.696 -5.845 6.389 311 1HB MET 96 1HB MET 96 6.404 -5.407 4.914 312 2HB MET 96 2HB MET 96 5.270 -5.313 3.557 313 1HG MET 96 1HG MET 96 5.070 -2.939 5.292 314 2HG MET 96 2HG MET 96 6.602 -3.213 4.442 315 1HE MET 96 1HE MET 96 7.248 -2.695 2.337 316 2HE MET 96 2HE MET 96 6.554 -4.291 1.882 317 3HE MET 96 3HE MET 96 6.253 -2.852 0.852 318 H ALA 97 H ALA 97 2.019 -5.185 4.064 319 HA ALA 97 HA ALA 97 1.670 -2.585 4.865 320 1HB ALA 97 1HB ALA 97 0.444 -3.446 2.863 321 2HB ALA 97 2HB ALA 97 -0.635 -4.363 3.985 322 3HB ALA 97 3HB ALA 97 -0.597 -2.562 4.014 323 H VAL 98 H VAL 98 0.690 -5.553 6.353 324 HA VAL 98 HA VAL 98 -1.194 -4.179 8.098 325 HB VAL 98 HB VAL 98 -0.396 -7.107 7.894 326 1HG1 VAL 98 1HG1 VAL 98 -2.816 -5.729 9.243 327 2HG1 VAL 98 2HG1 VAL 98 -2.562 -7.511 9.130 328 3HG1 VAL 98 3HG1 VAL 98 -1.434 -6.504 10.107 329 1HG2 VAL 98 1HG2 VAL 98 -1.531 -6.013 5.757 330 2HG2 VAL 98 2HG2 VAL 98 -1.995 -7.601 6.389 331 3HG2 VAL 98 3HG2 VAL 98 -3.029 -6.145 6.751 332 H ARG 99 H ARG 99 1.695 -6.378 8.122 333 HA ARG 99 HA ARG 99 1.704 -6.047 10.975 334 1HB ARG 99 1HB ARG 99 3.165 -8.171 9.327 335 2HB ARG 99 2HB ARG 99 2.950 -8.116 11.106 336 1HG ARG 99 1HG ARG 99 1.184 -9.500 10.749 337 2HG ARG 99 2HG ARG 99 0.321 -7.985 10.345 338 1HD ARG 99 1HD ARG 99 -0.233 -9.325 8.396 339 2HD ARG 99 2HD ARG 99 1.251 -8.551 7.863 340 HE ARG 99 HE ARG 99 2.488 -10.563 8.187 341 1HH1 ARG 99 1HH1 ARG 99 2.528 -12.897 8.350 342 2HH1 ARG 99 2HH1 ARG 99 1.122 -13.759 8.880 343 1HH2 ARG 99 1HH2 ARG 99 -0.889 -10.862 9.329 344 2HH2 ARG 99 2HH2 ARG 99 -0.842 -12.590 9.441 345 H ASP 100 H ASP 100 3.592 -4.801 8.303 346 HA ASP 100 HA ASP 100 5.578 -4.025 10.262 347 1HB ASP 100 1HB ASP 100 6.349 -5.559 8.291 348 2HB ASP 100 2HB ASP 100 6.108 -4.183 7.233 349 HA PRO 101 HA PRO 101 3.298 -0.563 8.280 350 1HB PRO 101 1HB PRO 101 2.575 0.884 10.568 351 2HB PRO 101 2HB PRO 101 1.624 -0.524 9.941 352 1HG PRO 101 1HG PRO 101 3.730 -0.502 12.160 353 2HG PRO 101 2HG PRO 101 2.101 -1.305 12.164 354 1HD PRO 101 1HD PRO 101 4.503 -2.638 11.511 355 2HD PRO 101 2HD PRO 101 2.941 -3.104 10.689 356 H GLN 102 H GLN 102 6.257 -0.887 9.891 357 HA GLN 102 HA GLN 102 6.853 1.919 9.992 358 1HB GLN 102 1HB GLN 102 8.785 -0.476 9.819 359 2HB GLN 102 2HB GLN 102 9.206 1.207 10.288 360 1HG GLN 102 1HG GLN 102 7.421 -0.769 11.873 361 2HG GLN 102 2HG GLN 102 9.101 -0.258 12.282 362 1HE2 GLN 102 2HE2 GLN 102 5.837 0.285 12.910 363 2HE2 GLN 102 1HE2 GLN 102 5.907 1.896 13.542 364 H ALA 103 H ALA 103 7.460 -0.944 7.920 365 HA ALA 103 HA ALA 103 8.727 0.591 5.901 366 1HB ALA 103 1HB ALA 103 7.656 -2.281 5.994 367 2HB ALA 103 3HB ALA 103 9.370 -1.767 6.157 368 3HB ALA 103 2HB ALA 103 8.531 -1.585 4.568 369 H PHE 104 H PHE 104 5.415 -0.997 6.271 370 HA PHE 104 HA PHE 104 4.578 0.015 3.877 371 1HB PHE 104 1HB PHE 104 3.203 -1.484 5.415 372 2HB PHE 104 2HB PHE 104 2.725 0.008 6.317 373 HD1 PHE 104 HD1 PHE 104 3.075 -0.660 2.568 374 HD2 PHE 104 HD2 PHE 104 0.533 0.404 5.833 375 HE1 PHE 104 HE1 PHE 104 1.261 -0.262 1.015 376 HE2 PHE 104 HE2 PHE 104 -1.307 0.765 4.247 377 HZ PHE 104 HZ PHE 104 -0.945 0.461 1.834 378 H GLU 105 H GLU 105 4.853 2.005 6.919 379 HA GLU 105 HA GLU 105 3.225 4.003 5.711 380 1HB GLU 105 1HB GLU 105 5.029 4.025 8.134 381 2HB GLU 105 2HB GLU 105 4.281 5.539 7.502 382 1HG GLU 105 1HG GLU 105 2.009 4.651 7.746 383 2HG GLU 105 2HG GLU 105 2.636 3.035 8.230 384 H GLN 106 H GLN 106 6.490 3.021 5.155 385 HA GLN 106 HA GLN 106 7.340 5.612 4.214 386 1HB GLN 106 1HB GLN 106 8.472 2.775 4.026 387 2HB GLN 106 2HB GLN 106 9.128 4.121 3.068 388 1HG GLN 106 1HG GLN 106 9.629 5.393 5.197 389 2HG GLN 106 2HG GLN 106 8.940 4.033 6.165 390 1HE2 GLN 106 2HE2 GLN 106 11.705 5.144 6.135 391 2HE2 GLN 106 1HE2 GLN 106 12.766 3.842 5.715 392 H VAL 107 H VAL 107 5.900 2.614 3.043 393 HA VAL 107 HA VAL 107 6.204 3.119 0.281 394 HB VAL 107 HB VAL 107 4.029 1.560 1.789 395 1HG1 VAL 107 1HG1 VAL 107 4.448 1.960 -1.230 396 2HG1 VAL 107 2HG1 VAL 107 3.507 0.594 -0.525 397 3HG1 VAL 107 3HG1 VAL 107 2.953 2.278 -0.268 398 1HG2 VAL 107 1HG2 VAL 107 6.452 0.644 0.108 399 2HG2 VAL 107 2HG2 VAL 107 6.273 0.489 1.896 400 3HG2 VAL 107 3HG2 VAL 107 5.184 -0.429 0.784 401 H VAL 108 H VAL 108 3.731 3.872 2.701 402 HA VAL 108 HA VAL 108 1.944 5.148 0.980 403 HB VAL 108 HB VAL 108 2.466 5.057 3.974 404 1HG1 VAL 108 1HG1 VAL 108 0.256 6.625 2.507 405 2HG1 VAL 108 2HG1 VAL 108 0.220 6.173 4.258 406 3HG1 VAL 108 3HG1 VAL 108 1.505 7.271 3.658 407 1HG2 VAL 108 1HG2 VAL 108 1.598 3.015 2.790 408 2HG2 VAL 108 2HG2 VAL 108 0.362 3.699 3.908 409 3HG2 VAL 108 3HG2 VAL 108 0.229 3.978 2.129 410 H ASN 109 H ASN 109 4.769 6.209 2.869 411 HA ASN 109 HA ASN 109 4.196 8.940 2.605 412 1HB ASN 109 1HB ASN 109 5.845 8.007 4.299 413 2HB ASN 109 2HB ASN 109 6.973 7.646 2.936 414 1HD2 ASN 109 2HD2 ASN 109 8.539 9.135 2.736 415 2HD2 ASN 109 1HD2 ASN 109 8.399 10.834 3.038 416 H LYS 110 H LYS 110 5.806 6.605 0.371 417 HA LYS 110 HA LYS 110 6.676 8.815 -1.242 418 1HB LYS 110 1HB LYS 110 7.809 6.559 -1.317 419 2HB LYS 110 2HB LYS 110 6.369 5.939 -2.204 420 1HG LYS 110 1HG LYS 110 6.766 7.552 -4.039 421 2HG LYS 110 2HG LYS 110 8.018 8.403 -3.070 422 1HD LYS 110 1HD LYS 110 9.481 6.381 -3.158 423 2HD LYS 110 2HD LYS 110 8.246 5.534 -4.153 424 1HE LYS 110 1HE LYS 110 8.476 7.297 -5.941 425 2HE LYS 110 2HE LYS 110 9.763 8.105 -4.956 426 1HZ LYS 110 1HZ LYS 110 9.835 5.316 -5.991 427 2HZ LYS 110 2HZ LYS 110 10.667 6.654 -6.626 428 3HZ LYS 110 3HZ LYS 110 11.045 6.080 -5.074 429 H VAL 111 H VAL 111 3.845 6.611 -1.120 430 HA VAL 111 HA VAL 111 2.878 7.617 -3.628 431 HB VAL 111 HB VAL 111 1.840 5.477 -1.704 432 1HG1 VAL 111 1HG1 VAL 111 0.869 6.286 -4.528 433 2HG1 VAL 111 2HG1 VAL 111 0.575 4.660 -3.814 434 3HG1 VAL 111 3HG1 VAL 111 -0.125 6.108 -3.024 435 1HG2 VAL 111 1HG2 VAL 111 4.063 4.978 -2.787 436 2HG2 VAL 111 2HG2 VAL 111 2.758 3.945 -3.472 437 3HG2 VAL 111 3HG2 VAL 111 3.350 5.377 -4.396 438 H LYS 112 H LYS 112 2.746 9.001 -0.598 439 HA LYS 112 HA LYS 112 0.025 9.816 -0.965 440 1HB LYS 112 1HB LYS 112 0.457 11.500 0.828 441 2HB LYS 112 2HB LYS 112 0.941 9.825 1.302 442 1HG LYS 112 1HG LYS 112 2.722 10.897 2.148 443 2HG LYS 112 2HG LYS 112 3.333 10.592 0.488 444 1HD LYS 112 1HD LYS 112 2.668 12.963 -0.124 445 2HD LYS 112 2HD LYS 112 2.170 13.230 1.581 446 1HE LYS 112 1HE LYS 112 4.525 12.877 2.330 447 2HE LYS 112 2HE LYS 112 5.013 12.433 0.642 448 1HZ LYS 112 1HZ LYS 112 4.353 14.628 -0.070 449 2HZ LYS 112 2HZ LYS 112 3.926 15.057 1.517 450 3HZ LYS 112 3HZ LYS 112 5.542 14.694 1.140 451 H GLU 113 H GLU 113 3.181 10.675 -1.947 452 HA GLU 113 HA GLU 113 2.402 13.272 -2.947 453 1HB GLU 113 1HB GLU 113 4.556 12.617 -1.756 454 2HB GLU 113 2HB GLU 113 5.027 11.657 -3.177 455 1HG GLU 113 1HG GLU 113 5.063 13.658 -4.635 456 2HG GLU 113 2HG GLU 113 4.528 14.704 -3.263 457 H ALA 114 H ALA 114 3.261 10.045 -3.915 458 HA ALA 114 HA ALA 114 3.270 10.720 -6.728 459 1HB ALA 114 2HB ALA 114 3.242 7.895 -5.563 460 2HB ALA 114 1HB ALA 114 4.744 8.852 -5.851 461 3HB ALA 114 3HB ALA 114 3.686 8.387 -7.230 462 H LEU 115 H LEU 115 0.878 10.174 -4.372 463 HA LEU 115 HA LEU 115 -1.172 9.467 -6.378 464 1HB LEU 115 1HB LEU 115 -1.513 8.497 -4.159 465 2HB LEU 115 2HB LEU 115 -1.397 10.149 -3.444 466 HG LEU 115 HG LEU 115 -3.270 10.862 -4.802 467 1HD1 LEU 115 1HD1 LEU 115 -3.550 7.949 -5.726 468 2HD1 LEU 115 2HD1 LEU 115 -4.844 9.191 -5.901 469 3HD1 LEU 115 3HD1 LEU 115 -3.280 9.401 -6.759 470 1HD2 LEU 115 1HD2 LEU 115 -3.608 9.911 -2.448 471 2HD2 LEU 115 2HD2 LEU 115 -5.075 9.685 -3.475 472 3HD2 LEU 115 3HD2 LEU 115 -3.954 8.303 -3.172 473 H GLN 116 H GLN 116 0.408 11.943 -4.532 474 HA GLN 116 HA GLN 116 0.537 14.104 -4.731 475 1HB GLN 116 1HB GLN 116 0.532 13.507 -7.339 476 2HB GLN 116 2HB GLN 116 -1.094 14.259 -7.287 477 1HG GLN 116 1HG GLN 116 0.333 16.049 -7.908 478 2HG GLN 116 2HG GLN 116 0.190 16.308 -6.124 479 1HE2 GLN 116 2HE2 GLN 116 2.068 16.316 -4.930 480 2HE2 GLN 116 1HE2 GLN 116 3.627 15.815 -5.495 481 H VAL 117 H VAL 117 -1.453 12.800 -3.268 482 HA VAL 117 HA VAL 117 -3.735 14.573 -3.443 483 HB VAL 117 HB VAL 117 -4.047 12.155 -2.879 484 1HG1 VAL 117 1HG1 VAL 117 -1.976 11.790 -1.543 485 2HG1 VAL 117 2HG1 VAL 117 -2.578 12.899 -0.248 486 3HG1 VAL 117 3HG1 VAL 117 -3.438 11.364 -0.596 487 1HG2 VAL 117 1HG2 VAL 117 -5.708 13.924 -2.274 488 2HG2 VAL 117 2HG2 VAL 117 -5.687 12.554 -1.102 489 3HG2 VAL 117 3HG2 VAL 117 -4.917 14.117 -0.662 490 H GLN 118 H GLN 118 -0.520 14.287 -2.277 491 HA GLN 118 HA GLN 118 -0.820 15.698 0.086 492 1HB GLN 118 1HB GLN 118 1.526 16.131 0.154 493 2HB GLN 118 2HB GLN 118 1.219 14.479 -0.469 494 1HG GLN 118 1HG GLN 118 2.961 15.234 -1.815 495 2HG GLN 118 2HG GLN 118 1.526 15.517 -2.873 496 1HE2 GLN 118 2HE2 GLN 118 1.722 17.422 -3.947 497 2HE2 GLN 118 1HE2 GLN 118 2.385 18.895 -3.329 No H/Q in entry = 497 Start of MODEL 18 1 H1 TRP 59 1H TRP 59 -4.207 -12.318 0.310 2 H2 TRP 59 2H TRP 59 -3.136 -12.760 -0.932 3 H3 TRP 59 3H TRP 59 -2.683 -12.967 0.691 4 HA TRP 59 HA TRP 59 -2.769 -10.606 1.023 5 1HB TRP 59 1HB TRP 59 -0.956 -11.402 -1.329 6 2HB TRP 59 2HB TRP 59 -0.719 -10.026 -0.241 7 HD1 TRP 59 HD1 TRP 59 0.403 -10.526 2.163 8 HE1 TRP 59 HE1 TRP 59 1.480 -12.604 3.182 9 HE3 TRP 59 HE3 TRP 59 -1.159 -13.931 -1.258 10 HZ2 TRP 59 HZ2 TRP 59 1.594 -15.373 2.625 11 HZ3 TRP 59 HZ3 TRP 59 -0.558 -16.287 -0.944 12 HH2 TRP 59 HH2 TRP 59 0.791 -17.000 0.967 13 H ILE 60 H ILE 60 -4.626 -9.442 0.578 14 HA ILE 60 HA ILE 60 -4.757 -8.303 -1.988 15 HB ILE 60 HB ILE 60 -7.396 -9.181 -1.829 16 1HG1 ILE 60 1HG1 ILE 60 -7.130 -11.632 -2.315 17 2HG1 ILE 60 2HG1 ILE 60 -5.435 -11.563 -1.713 18 1HG2 ILE 60 1HG2 ILE 60 -6.110 -8.300 -3.736 19 2HG2 ILE 60 2HG2 ILE 60 -5.095 -9.794 -3.778 20 3HG2 ILE 60 3HG2 ILE 60 -6.862 -9.893 -4.131 21 1HD1 ILE 60 1HD1 ILE 60 -7.904 -10.803 -0.063 22 2HD1 ILE 60 2HD1 ILE 60 -7.009 -12.383 0.051 23 3HD1 ILE 60 3HD1 ILE 60 -6.184 -10.827 0.477 24 H ALA 61 H ALA 61 -6.928 -9.119 0.737 25 HA ALA 61 HA ALA 61 -7.899 -6.397 0.654 26 1HB ALA 61 2HB ALA 61 -8.978 -8.893 2.108 27 2HB ALA 61 1HB ALA 61 -9.614 -8.262 0.543 28 3HB ALA 61 3HB ALA 61 -9.787 -7.279 2.042 29 H ARG 62 H ARG 62 -5.347 -7.934 1.916 30 HA ARG 62 HA ARG 62 -5.668 -7.020 4.628 31 1HB ARG 62 1HB ARG 62 -2.881 -7.253 3.817 32 2HB ARG 62 2HB ARG 62 -3.774 -8.104 5.118 33 1HG ARG 62 1HG ARG 62 -4.568 -9.783 3.239 34 2HG ARG 62 2HG ARG 62 -3.377 -8.949 2.204 35 1HD ARG 62 1HD ARG 62 -1.507 -9.536 3.609 36 2HD ARG 62 2HD ARG 62 -2.568 -10.039 4.987 37 HE ARG 62 HE ARG 62 -1.879 -11.609 2.581 38 1HH1 ARG 62 1HH1 ARG 62 -2.478 -13.851 2.639 39 2HH1 ARG 62 2HH1 ARG 62 -3.610 -14.423 3.818 40 1HH2 ARG 62 1HH2 ARG 62 -4.111 -11.251 5.351 41 2HH2 ARG 62 2HH2 ARG 62 -4.550 -12.925 5.380 42 H ILE 63 H ILE 63 -4.543 -5.918 1.397 43 HA ILE 63 HA ILE 63 -3.149 -3.720 2.252 44 HB ILE 63 HB ILE 63 -4.585 -4.402 -0.379 45 1HG1 ILE 63 1HG1 ILE 63 -1.801 -5.255 0.569 46 2HG1 ILE 63 2HG1 ILE 63 -3.219 -6.353 0.430 47 1HG2 ILE 63 1HG2 ILE 63 -2.112 -2.768 0.410 48 2HG2 ILE 63 2HG2 ILE 63 -2.721 -2.984 -1.290 49 3HG2 ILE 63 3HG2 ILE 63 -3.710 -2.080 -0.093 50 1HD1 ILE 63 1HD1 ILE 63 -1.917 -4.902 -1.948 51 2HD1 ILE 63 2HD1 ILE 63 -1.750 -6.639 -1.527 52 3HD1 ILE 63 3HD1 ILE 63 -3.356 -5.991 -2.009 53 H ASN 64 H ASN 64 -6.396 -4.566 0.952 54 HA ASN 64 HA ASN 64 -7.443 -2.018 0.799 55 1HB ASN 64 1HB ASN 64 -8.512 -4.260 0.052 56 2HB ASN 64 2HB ASN 64 -8.988 -4.510 1.757 57 1HD2 ASN 64 2HD2 ASN 64 -10.963 -3.834 2.310 58 2HD2 ASN 64 1HD2 ASN 64 -11.856 -2.538 1.586 59 H ALA 65 H ALA 65 -7.216 -4.355 3.385 60 HA ALA 65 HA ALA 65 -8.782 -2.892 5.237 61 1HB ALA 65 2HB ALA 65 -7.842 -4.419 7.009 62 2HB ALA 65 3HB ALA 65 -8.457 -5.340 5.590 63 3HB ALA 65 1HB ALA 65 -6.683 -5.071 5.792 64 H ALA 66 H ALA 66 -5.346 -2.747 4.293 65 HA ALA 66 HA ALA 66 -4.667 -1.425 6.740 66 1HB ALA 66 2HB ALA 66 -3.108 -1.576 4.096 67 2HB ALA 66 3HB ALA 66 -2.460 -1.079 5.707 68 3HB ALA 66 1HB ALA 66 -2.981 -2.777 5.437 69 H VAL 67 H VAL 67 -5.689 -0.468 3.425 70 HA VAL 67 HA VAL 67 -4.655 2.159 3.888 71 HB VAL 67 HB VAL 67 -5.254 2.632 1.581 72 1HG1 VAL 67 1HG1 VAL 67 -3.671 0.038 2.035 73 2HG1 VAL 67 2HG1 VAL 67 -3.706 1.011 0.522 74 3HG1 VAL 67 3HG1 VAL 67 -3.065 1.739 2.042 75 1HG2 VAL 67 1HG2 VAL 67 -6.423 -0.225 1.601 76 2HG2 VAL 67 2HG2 VAL 67 -7.332 1.292 1.325 77 3HG2 VAL 67 3HG2 VAL 67 -6.102 0.753 0.134 78 H ARG 68 H ARG 68 -7.545 0.723 4.760 79 HA ARG 68 HA ARG 68 -9.245 2.783 3.705 80 1HB ARG 68 1HB ARG 68 -11.097 1.541 4.832 81 2HB ARG 68 2HB ARG 68 -10.124 0.527 3.725 82 1HG ARG 68 1HG ARG 68 -8.815 -0.336 5.686 83 2HG ARG 68 2HG ARG 68 -9.902 0.556 6.803 84 1HD ARG 68 1HD ARG 68 -10.825 -1.584 4.761 85 2HD ARG 68 2HD ARG 68 -10.504 -1.889 6.525 86 HE ARG 68 HE ARG 68 -12.329 0.297 6.369 87 1HH1 ARG 68 1HH1 ARG 68 -14.606 -0.156 6.785 88 2HH1 ARG 68 2HH1 ARG 68 -15.226 -1.761 6.574 89 1HH2 ARG 68 1HH2 ARG 68 -12.121 -3.175 5.562 90 2HH2 ARG 68 2HH2 ARG 68 -13.795 -3.496 5.869 91 H ALA 69 H ALA 69 -7.074 3.521 5.606 92 HA ALA 69 HA ALA 69 -8.700 4.695 7.745 93 1HB ALA 69 1HB ALA 69 -5.640 4.439 7.387 94 2HB ALA 69 2HB ALA 69 -6.463 5.233 8.787 95 3HB ALA 69 3HB ALA 69 -6.626 3.454 8.530 96 H TYR 70 H TYR 70 -6.854 5.068 4.775 97 HA TYR 70 HA TYR 70 -6.294 7.828 5.293 98 1HB TYR 70 1HB TYR 70 -5.765 6.120 2.782 99 2HB TYR 70 2HB TYR 70 -5.026 7.736 3.150 100 HD1 TYR 70 HD1 TYR 70 -4.108 7.642 5.834 101 HD2 TYR 70 HD2 TYR 70 -4.308 4.433 3.030 102 HE1 TYR 70 HE1 TYR 70 -2.416 6.416 7.108 103 HE2 TYR 70 HE2 TYR 70 -2.601 3.218 4.301 104 HH TYR 70 HH TYR 70 -1.314 3.174 6.111 105 H GLY 71 H GLY 71 -8.203 5.858 2.936 106 1HA GLY 71 2HA GLY 71 -9.205 8.345 1.800 107 2HA GLY 71 1HA GLY 71 -10.358 7.079 2.424 108 H LEU 72 H LEU 72 -7.298 5.974 1.413 109 HA LEU 72 HA LEU 72 -7.907 5.309 -1.313 110 1HB LEU 72 1HB LEU 72 -5.988 4.260 0.829 111 2HB LEU 72 2HB LEU 72 -5.959 3.676 -0.876 112 HG LEU 72 HG LEU 72 -5.513 6.614 -0.012 113 1HD1 LEU 72 1HD1 LEU 72 -3.498 4.346 -0.433 114 2HD1 LEU 72 2HD1 LEU 72 -3.045 6.097 -0.444 115 3HD1 LEU 72 3HD1 LEU 72 -3.747 5.346 1.039 116 1HD2 LEU 72 1HD2 LEU 72 -4.993 5.101 -2.647 117 2HD2 LEU 72 2HD2 LEU 72 -6.221 6.386 -2.354 118 3HD2 LEU 72 3HD2 LEU 72 -4.468 6.796 -2.299 119 H ASN 73 H ASN 73 -8.540 3.401 -2.101 120 HA ASN 73 HA ASN 73 -9.838 1.700 -0.176 121 1HB ASN 73 1HB ASN 73 -11.795 1.444 -1.680 122 2HB ASN 73 2HB ASN 73 -11.565 3.177 -1.254 123 1HD2 ASN 73 2HD2 ASN 73 -12.444 1.227 -3.697 124 2HD2 ASN 73 1HD2 ASN 73 -11.880 2.101 -5.082 125 H TYR 74 H TYR 74 -7.237 1.643 -1.560 126 HA TYR 74 HA TYR 74 -5.899 0.102 -2.247 127 1HB TYR 74 1HB TYR 74 -6.748 -1.815 -1.299 128 2HB TYR 74 2HB TYR 74 -8.295 -1.751 -2.198 129 HD1 TYR 74 HD1 TYR 74 -5.015 -3.181 -2.125 130 HD2 TYR 74 HD2 TYR 74 -8.411 -2.370 -4.565 131 HE1 TYR 74 HE1 TYR 74 -4.326 -4.949 -3.663 132 HE2 TYR 74 HE2 TYR 74 -7.728 -4.160 -6.098 133 HH TYR 74 HH TYR 74 -4.783 -6.096 -5.485 134 H SER 75 H SER 75 -8.602 1.165 -4.169 135 HA SER 75 HA SER 75 -7.524 -0.014 -6.571 136 1HB SER 75 1HB SER 75 -9.894 1.914 -6.170 137 2HB SER 75 2HB SER 75 -9.475 1.076 -7.716 138 HG SER 75 HG SER 75 -9.922 -0.848 -6.777 139 H THR 76 H THR 76 -7.613 3.117 -4.888 140 HA THR 76 HA THR 76 -6.610 4.447 -7.238 141 HB THR 76 HB THR 76 -6.354 6.342 -5.433 142 HG1 THR 76 HG1 THR 76 -7.686 5.971 -3.705 143 1HG2 THR 76 1HG2 THR 76 -9.092 5.171 -6.319 144 2HG2 THR 76 2HG2 THR 76 -8.798 6.867 -5.778 145 3HG2 THR 76 3HG2 THR 76 -8.044 6.264 -7.302 146 H PHE 77 H PHE 77 -5.576 2.785 -4.382 147 HA PHE 77 HA PHE 77 -3.038 3.908 -4.166 148 1HB PHE 77 1HB PHE 77 -4.456 2.201 -2.593 149 2HB PHE 77 2HB PHE 77 -3.632 0.941 -3.563 150 HD1 PHE 77 HD1 PHE 77 -1.978 4.189 -2.459 151 HD2 PHE 77 HD2 PHE 77 -2.490 -0.007 -1.740 152 HE1 PHE 77 HE1 PHE 77 -0.313 4.273 -0.713 153 HE2 PHE 77 HE2 PHE 77 -0.959 0.165 0.125 154 HZ PHE 77 HZ PHE 77 0.208 2.269 0.614 155 H ILE 78 H ILE 78 -4.538 1.209 -5.982 156 HA ILE 78 HA ILE 78 -2.425 -0.047 -6.928 157 HB ILE 78 HB ILE 78 -5.215 0.080 -7.203 158 1HG1 ILE 78 1HG1 ILE 78 -4.969 -2.121 -8.113 159 2HG1 ILE 78 2HG1 ILE 78 -3.187 -1.921 -8.287 160 1HG2 ILE 78 1HG2 ILE 78 -3.891 -0.120 -9.992 161 2HG2 ILE 78 2HG2 ILE 78 -5.592 -0.533 -9.569 162 3HG2 ILE 78 3HG2 ILE 78 -5.051 1.161 -9.435 163 1HD1 ILE 78 1HD1 ILE 78 -3.055 -1.660 -5.722 164 2HD1 ILE 78 2HD1 ILE 78 -4.814 -2.053 -5.669 165 3HD1 ILE 78 3HD1 ILE 78 -3.640 -3.268 -6.272 166 H ASN 79 H ASN 79 -4.011 2.884 -8.212 167 HA ASN 79 HA ASN 79 -2.408 3.108 -10.450 168 1HB ASN 79 1HB ASN 79 -3.245 5.720 -9.269 169 2HB ASN 79 2HB ASN 79 -3.304 5.113 -10.913 170 1HD2 ASN 79 2HD2 ASN 79 -5.133 6.582 -8.996 171 2HD2 ASN 79 1HD2 ASN 79 -6.646 5.741 -9.047 172 H GLY 80 H GLY 80 -2.236 4.945 -7.454 173 1HA GLY 80 2HA GLY 80 -0.600 6.456 -6.745 174 2HA GLY 80 1HA GLY 80 -0.025 6.381 -8.432 175 H LEU 81 H LEU 81 0.007 3.309 -6.949 176 HA LEU 81 HA LEU 81 2.579 3.434 -5.778 177 1HB LEU 81 1HB LEU 81 1.160 1.191 -7.230 178 2HB LEU 81 2HB LEU 81 2.576 0.901 -6.310 179 HG LEU 81 HG LEU 81 0.288 2.137 -4.801 180 1HD1 LEU 81 1HD1 LEU 81 -0.512 -0.037 -5.811 181 2HD1 LEU 81 2HD1 LEU 81 0.937 -0.864 -5.130 182 3HD1 LEU 81 3HD1 LEU 81 -0.302 -0.152 -4.022 183 1HD2 LEU 81 1HD2 LEU 81 2.673 2.275 -3.950 184 2HD2 LEU 81 2HD2 LEU 81 1.541 1.379 -2.875 185 3HD2 LEU 81 3HD2 LEU 81 2.712 0.487 -3.933 186 H LYS 82 H LYS 82 1.355 2.934 -9.111 187 HA LYS 82 HA LYS 82 3.818 2.022 -10.119 188 1HB LYS 82 1HB LYS 82 1.561 1.677 -11.235 189 2HB LYS 82 2HB LYS 82 1.497 3.446 -11.555 190 1HG LYS 82 1HG LYS 82 3.526 3.261 -13.007 191 2HG LYS 82 2HG LYS 82 3.614 1.497 -12.657 192 1HD LYS 82 1HD LYS 82 1.330 1.203 -13.666 193 2HD LYS 82 2HD LYS 82 1.281 2.958 -14.053 194 1HE LYS 82 1HE LYS 82 3.379 0.957 -15.147 195 2HE LYS 82 2HE LYS 82 1.926 1.561 -16.046 196 1HZ LYS 82 1HZ LYS 82 2.788 3.800 -15.796 197 2HZ LYS 82 2HZ LYS 82 4.171 3.208 -15.008 198 3HZ LYS 82 3HZ LYS 82 3.870 2.788 -16.625 199 H LYS 83 H LYS 83 2.243 5.166 -9.640 200 HA LYS 83 HA LYS 83 4.073 6.685 -11.120 201 1HB LYS 83 1HB LYS 83 2.246 7.395 -8.746 202 2HB LYS 83 2HB LYS 83 3.148 8.609 -9.730 203 1HG LYS 83 1HG LYS 83 1.851 7.876 -11.757 204 2HG LYS 83 2HG LYS 83 0.988 6.656 -10.750 205 1HD LYS 83 1HD LYS 83 0.180 8.531 -9.246 206 2HD LYS 83 2HD LYS 83 0.873 9.714 -10.411 207 1HE LYS 83 1HE LYS 83 -1.282 7.588 -11.079 208 2HE LYS 83 2HE LYS 83 -1.604 9.343 -10.761 209 1HZ LYS 83 1HZ LYS 83 0.176 8.309 -12.903 210 2HZ LYS 83 2HZ LYS 83 -1.450 8.758 -13.113 211 3HZ LYS 83 3HZ LYS 83 -0.300 9.918 -12.643 212 H ALA 84 H ALA 84 4.005 5.382 -7.805 213 HA ALA 84 HA ALA 84 6.076 7.089 -6.893 214 1HB ALA 84 3HB ALA 84 4.384 6.214 -5.294 215 2HB ALA 84 2HB ALA 84 6.038 5.675 -4.836 216 3HB ALA 84 1HB ALA 84 4.913 4.530 -5.661 217 H GLY 85 H GLY 85 5.841 3.754 -8.181 218 1HA GLY 85 2HA GLY 85 8.756 3.750 -8.361 219 2HA GLY 85 1HA GLY 85 7.572 2.862 -9.406 220 H ILE 86 H ILE 86 5.856 2.075 -7.237 221 HA ILE 86 HA ILE 86 7.529 0.233 -5.739 222 HB ILE 86 HB ILE 86 4.760 1.442 -5.205 223 1HG1 ILE 86 1HG1 ILE 86 7.489 1.893 -3.849 224 2HG1 ILE 86 2HG1 ILE 86 6.628 3.058 -4.911 225 1HG2 ILE 86 1HG2 ILE 86 6.463 -0.601 -3.624 226 2HG2 ILE 86 2HG2 ILE 86 5.017 0.242 -2.951 227 3HG2 ILE 86 3HG2 ILE 86 4.818 -0.835 -4.347 228 1HD1 ILE 86 1HD1 ILE 86 4.674 3.023 -3.257 229 2HD1 ILE 86 2HD1 ILE 86 5.740 2.091 -2.134 230 3HD1 ILE 86 3HD1 ILE 86 6.205 3.749 -2.648 231 H GLU 87 H GLU 87 4.146 0.577 -6.890 232 HA GLU 87 HA GLU 87 2.678 -0.807 -7.633 233 1HB GLU 87 1HB GLU 87 3.954 -0.149 -9.730 234 2HB GLU 87 2HB GLU 87 4.732 -1.764 -9.662 235 1HG GLU 87 1HG GLU 87 2.426 -2.831 -9.815 236 2HG GLU 87 2HG GLU 87 1.683 -1.186 -9.816 237 H LEU 88 H LEU 88 3.268 -1.821 -5.397 238 HA LEU 88 HA LEU 88 4.158 -4.557 -5.891 239 1HB LEU 88 1HB LEU 88 5.787 -2.722 -4.896 240 2HB LEU 88 2HB LEU 88 4.854 -2.982 -3.397 241 HG LEU 88 HG LEU 88 5.419 -5.525 -3.683 242 1HD1 LEU 88 1HD1 LEU 88 7.444 -4.325 -5.684 243 2HD1 LEU 88 2HD1 LEU 88 7.475 -6.017 -5.051 244 3HD1 LEU 88 3HD1 LEU 88 6.105 -5.466 -6.087 245 1HD2 LEU 88 1HD2 LEU 88 7.722 -3.527 -3.198 246 2HD2 LEU 88 2HD2 LEU 88 6.539 -4.121 -1.972 247 3HD2 LEU 88 3HD2 LEU 88 7.713 -5.266 -2.713 248 H ASP 89 H ASP 89 2.001 -2.332 -4.092 249 HA ASP 89 HA ASP 89 1.006 -4.544 -2.509 250 1HB ASP 89 1HB ASP 89 -0.748 -2.088 -2.785 251 2HB ASP 89 2HB ASP 89 -0.520 -3.210 -1.439 252 H ARG 90 H ARG 90 0.282 -6.060 -3.907 253 HA ARG 90 HA ARG 90 -2.274 -5.457 -5.054 254 1HB ARG 90 1HB ARG 90 0.016 -6.730 -6.712 255 2HB ARG 90 2HB ARG 90 -1.733 -6.846 -7.132 256 1HG ARG 90 1HG ARG 90 -1.844 -4.323 -7.206 257 2HG ARG 90 2HG ARG 90 -0.061 -4.261 -6.983 258 1HD ARG 90 1HD ARG 90 0.283 -5.387 -9.175 259 2HD ARG 90 2HD ARG 90 -1.523 -5.577 -9.367 260 HE ARG 90 HE ARG 90 -0.862 -2.819 -8.769 261 1HH1 ARG 90 1HH1 ARG 90 -1.122 -1.280 -10.516 262 2HH1 ARG 90 2HH1 ARG 90 -1.137 -1.825 -12.160 263 1HH2 ARG 90 1HH2 ARG 90 -0.708 -5.268 -11.356 264 2HH2 ARG 90 2HH2 ARG 90 -0.898 -4.126 -12.645 265 H LYS 91 H LYS 91 0.524 -7.374 -3.931 266 HA LYS 91 HA LYS 91 -0.794 -8.898 -2.331 267 1HB LYS 91 1HB LYS 91 -0.651 -11.171 -3.327 268 2HB LYS 91 2HB LYS 91 -1.875 -10.157 -4.150 269 1HG LYS 91 1HG LYS 91 -0.040 -9.719 -5.962 270 2HG LYS 91 2HG LYS 91 0.781 -11.144 -5.232 271 1HD LYS 91 1HD LYS 91 -1.952 -10.924 -6.604 272 2HD LYS 91 2HD LYS 91 -0.585 -12.017 -7.009 273 1HE LYS 91 1HE LYS 91 -2.503 -12.236 -4.564 274 2HE LYS 91 2HE LYS 91 -2.466 -13.298 -6.022 275 1HZ LYS 91 1HZ LYS 91 -0.258 -12.988 -4.057 276 2HZ LYS 91 2HZ LYS 91 -1.352 -14.284 -4.145 277 3HZ LYS 91 3HZ LYS 91 -0.256 -14.007 -5.415 278 H ILE 92 H ILE 92 0.743 -9.482 -1.041 279 HA ILE 92 HA ILE 92 2.374 -10.729 -0.277 280 HB ILE 92 HB ILE 92 3.408 -10.663 -3.092 281 1HG1 ILE 92 1HG1 ILE 92 1.164 -11.988 -2.045 282 2HG1 ILE 92 2HG1 ILE 92 1.943 -12.194 -3.628 283 1HG2 ILE 92 1HG2 ILE 92 4.435 -12.344 -0.714 284 2HG2 ILE 92 2HG2 ILE 92 4.882 -12.632 -2.445 285 3HG2 ILE 92 3HG2 ILE 92 5.349 -11.107 -1.659 286 1HD1 ILE 92 1HD1 ILE 92 2.593 -13.832 -1.075 287 2HD1 ILE 92 2HD1 ILE 92 1.546 -14.368 -2.437 288 3HD1 ILE 92 3HD1 ILE 92 3.298 -14.112 -2.720 289 H LEU 93 H LEU 93 2.443 -7.678 -1.545 290 HA LEU 93 HA LEU 93 4.890 -6.940 -0.027 291 1HB LEU 93 1HB LEU 93 4.419 -5.361 -1.560 292 2HB LEU 93 2HB LEU 93 2.658 -5.549 -1.330 293 HG LEU 93 HG LEU 93 4.338 -4.175 0.772 294 1HD1 LEU 93 1HD1 LEU 93 3.333 -2.861 -1.780 295 2HD1 LEU 93 2HD1 LEU 93 3.759 -1.940 -0.302 296 3HD1 LEU 93 3HD1 LEU 93 5.013 -2.933 -1.138 297 1HD2 LEU 93 1HD2 LEU 93 1.361 -3.891 0.025 298 2HD2 LEU 93 2HD2 LEU 93 2.056 -4.362 1.615 299 3HD2 LEU 93 3HD2 LEU 93 2.254 -2.697 1.061 300 H ALA 94 H ALA 94 1.534 -7.173 -0.173 301 HA ALA 94 HA ALA 94 0.554 -5.891 1.953 302 1HB ALA 94 1HB ALA 94 -0.710 -7.306 0.202 303 2HB ALA 94 2HB ALA 94 -0.364 -8.714 1.321 304 3HB ALA 94 3HB ALA 94 -1.365 -7.347 1.913 305 H ASP 95 H ASP 95 2.536 -8.677 2.010 306 HA ASP 95 HA ASP 95 2.036 -9.661 4.538 307 1HB ASP 95 1HB ASP 95 4.156 -10.565 4.456 308 2HB ASP 95 2HB ASP 95 3.633 -10.521 2.735 309 H MET 96 H MET 96 4.106 -7.056 3.354 310 HA MET 96 HA MET 96 4.849 -6.251 6.026 311 1HB MET 96 1HB MET 96 6.483 -5.460 4.524 312 2HB MET 96 2HB MET 96 5.265 -5.179 3.282 313 1HG MET 96 1HG MET 96 4.952 -3.163 5.379 314 2HG MET 96 2HG MET 96 6.501 -3.200 4.533 315 1HE MET 96 1HE MET 96 6.711 -3.788 2.032 316 2HE MET 96 2HE MET 96 6.167 -2.397 1.041 317 3HE MET 96 3HE MET 96 7.080 -2.106 2.560 318 H ALA 97 H ALA 97 2.088 -5.528 3.905 319 HA ALA 97 HA ALA 97 1.476 -3.077 4.973 320 1HB ALA 97 1HB ALA 97 0.320 -3.884 2.920 321 2HB ALA 97 2HB ALA 97 -0.556 -5.112 3.913 322 3HB ALA 97 3HB ALA 97 -0.853 -3.356 4.175 323 H VAL 98 H VAL 98 0.910 -6.305 6.360 324 HA VAL 98 HA VAL 98 -0.750 -5.024 8.403 325 HB VAL 98 HB VAL 98 -0.209 -7.948 8.438 326 1HG1 VAL 98 1HG1 VAL 98 -1.617 -6.748 10.144 327 2HG1 VAL 98 2HG1 VAL 98 -2.727 -6.194 8.833 328 3HG1 VAL 98 3HG1 VAL 98 -2.593 -7.952 9.221 329 1HG2 VAL 98 1HG2 VAL 98 -1.912 -6.692 6.216 330 2HG2 VAL 98 2HG2 VAL 98 -0.519 -7.856 6.091 331 3HG2 VAL 98 3HG2 VAL 98 -2.071 -8.396 6.785 332 H ARG 99 H ARG 99 2.038 -7.183 7.724 333 HA ARG 99 HA ARG 99 2.418 -7.609 10.482 334 1HB ARG 99 1HB ARG 99 4.078 -8.602 8.092 335 2HB ARG 99 2HB ARG 99 4.321 -9.059 9.800 336 1HG ARG 99 1HG ARG 99 3.207 -10.883 8.990 337 2HG ARG 99 2HG ARG 99 1.907 -9.967 9.818 338 1HD ARG 99 1HD ARG 99 1.025 -9.259 7.518 339 2HD ARG 99 2HD ARG 99 2.351 -10.133 6.726 340 HE ARG 99 HE ARG 99 0.036 -11.332 8.167 341 1HH1 ARG 99 1HH1 ARG 99 -0.375 -13.564 7.601 342 2HH1 ARG 99 2HH1 ARG 99 0.799 -14.463 6.699 343 1HH2 ARG 99 1HH2 ARG 99 3.134 -11.803 6.431 344 2HH2 ARG 99 2HH2 ARG 99 2.807 -13.456 6.029 345 H ASP 100 H ASP 100 3.903 -5.392 8.108 346 HA ASP 100 HA ASP 100 5.896 -4.688 10.093 347 1HB ASP 100 1HB ASP 100 6.674 -5.907 7.906 348 2HB ASP 100 2HB ASP 100 6.351 -4.389 7.087 349 HA PRO 101 HA PRO 101 3.090 -1.383 8.706 350 1HB PRO 101 1HB PRO 101 2.705 -0.096 11.223 351 2HB PRO 101 2HB PRO 101 1.670 -1.415 10.537 352 1HG PRO 101 1HG PRO 101 3.966 -1.637 12.527 353 2HG PRO 101 2HG PRO 101 2.389 -2.535 12.513 354 1HD PRO 101 1HD PRO 101 4.791 -3.619 11.537 355 2HD PRO 101 2HD PRO 101 3.221 -4.028 10.703 356 H GLN 102 H GLN 102 6.233 -1.285 10.104 357 HA GLN 102 HA GLN 102 6.532 1.543 10.148 358 1HB GLN 102 1HB GLN 102 8.623 -0.696 9.807 359 2HB GLN 102 2HB GLN 102 8.995 1.038 10.101 360 1HG GLN 102 1HG GLN 102 7.936 0.895 12.360 361 2HG GLN 102 2HG GLN 102 7.459 -0.823 12.048 362 1HE2 GLN 102 2HE2 GLN 102 10.377 1.363 11.925 363 2HE2 GLN 102 1HE2 GLN 102 11.511 0.186 12.495 364 H ALA 103 H ALA 103 7.260 -1.166 7.886 365 HA ALA 103 HA ALA 103 8.306 0.655 5.949 366 1HB ALA 103 1HB ALA 103 7.769 -2.362 5.911 367 2HB ALA 103 3HB ALA 103 9.361 -1.548 6.084 368 3HB ALA 103 2HB ALA 103 8.475 -1.452 4.513 369 H PHE 104 H PHE 104 5.251 -1.241 6.513 370 HA PHE 104 HA PHE 104 3.995 -0.371 4.266 371 1HB PHE 104 1HB PHE 104 2.843 -1.739 6.084 372 2HB PHE 104 2HB PHE 104 2.665 -0.195 7.024 373 HD1 PHE 104 HD1 PHE 104 0.607 0.738 6.850 374 HD2 PHE 104 HD2 PHE 104 2.191 -1.264 3.427 375 HE1 PHE 104 HE1 PHE 104 -1.403 1.314 5.563 376 HE2 PHE 104 HE2 PHE 104 0.213 -0.681 2.152 377 HZ PHE 104 HZ PHE 104 -1.608 0.611 3.219 378 H GLU 105 H GLU 105 4.623 1.710 7.176 379 HA GLU 105 HA GLU 105 3.114 3.835 6.130 380 1HB GLU 105 1HB GLU 105 5.327 3.669 8.208 381 2HB GLU 105 2HB GLU 105 4.683 5.259 7.673 382 1HG GLU 105 1HG GLU 105 2.416 4.708 8.391 383 2HG GLU 105 2HG GLU 105 2.892 3.025 8.824 384 H GLN 106 H GLN 106 6.356 2.681 5.296 385 HA GLN 106 HA GLN 106 7.251 5.191 4.293 386 1HB GLN 106 1HB GLN 106 8.075 2.300 3.638 387 2HB GLN 106 2HB GLN 106 8.805 3.736 2.888 388 1HG GLN 106 1HG GLN 106 9.610 4.516 5.147 389 2HG GLN 106 2HG GLN 106 8.819 3.083 5.920 390 1HE2 GLN 106 2HE2 GLN 106 11.163 4.000 3.294 391 2HE2 GLN 106 1HE2 GLN 106 12.184 2.609 3.455 392 H VAL 107 H VAL 107 5.540 2.356 3.043 393 HA VAL 107 HA VAL 107 5.744 3.020 0.305 394 HB VAL 107 HB VAL 107 3.837 1.281 1.933 395 1HG1 VAL 107 1HG1 VAL 107 3.819 1.727 -1.126 396 2HG1 VAL 107 2HG1 VAL 107 3.017 0.363 -0.272 397 3HG1 VAL 107 3HG1 VAL 107 2.460 2.037 0.019 398 1HG2 VAL 107 1HG2 VAL 107 6.221 0.536 1.659 399 2HG2 VAL 107 2HG2 VAL 107 5.092 -0.525 0.741 400 3HG2 VAL 107 3HG2 VAL 107 6.072 0.709 -0.129 401 H VAL 108 H VAL 108 3.383 3.669 2.869 402 HA VAL 108 HA VAL 108 1.483 4.933 1.234 403 HB VAL 108 HB VAL 108 2.178 4.757 4.201 404 1HG1 VAL 108 1HG1 VAL 108 -0.152 6.338 2.947 405 2HG1 VAL 108 2HG1 VAL 108 -0.070 5.811 4.677 406 3HG1 VAL 108 3HG1 VAL 108 1.155 6.959 4.048 407 1HG2 VAL 108 1HG2 VAL 108 1.264 2.745 2.997 408 2HG2 VAL 108 2HG2 VAL 108 0.095 3.367 4.221 409 3HG2 VAL 108 3HG2 VAL 108 -0.162 3.713 2.469 410 H ASN 109 H ASN 109 4.377 5.999 2.978 411 HA ASN 109 HA ASN 109 3.755 8.742 2.861 412 1HB ASN 109 1HB ASN 109 5.545 7.765 4.383 413 2HB ASN 109 2HB ASN 109 6.553 7.451 2.919 414 1HD2 ASN 109 2HD2 ASN 109 4.757 10.046 4.702 415 2HD2 ASN 109 1HD2 ASN 109 5.836 11.343 4.312 416 H LYS 110 H LYS 110 5.372 6.461 0.620 417 HA LYS 110 HA LYS 110 6.296 8.537 -1.080 418 1HB LYS 110 1HB LYS 110 5.925 5.529 -1.487 419 2HB LYS 110 2HB LYS 110 6.527 6.628 -2.777 420 1HG LYS 110 1HG LYS 110 8.468 7.279 -1.374 421 2HG LYS 110 2HG LYS 110 7.872 6.244 -0.032 422 1HD LYS 110 1HD LYS 110 9.665 5.082 -1.195 423 2HD LYS 110 2HD LYS 110 8.118 4.214 -1.483 424 1HE LYS 110 1HE LYS 110 7.976 5.245 -3.785 425 2HE LYS 110 2HE LYS 110 9.522 6.135 -3.471 426 1HZ LYS 110 1HZ LYS 110 10.604 4.003 -3.183 427 2HZ LYS 110 2HZ LYS 110 9.148 3.184 -3.489 428 3HZ LYS 110 3HZ LYS 110 9.866 4.126 -4.707 429 H VAL 111 H VAL 111 3.312 6.584 -0.880 430 HA VAL 111 HA VAL 111 2.330 7.785 -3.384 431 HB VAL 111 HB VAL 111 1.173 5.638 -1.494 432 1HG1 VAL 111 1HG1 VAL 111 0.357 6.615 -4.328 433 2HG1 VAL 111 2HG1 VAL 111 -0.158 5.024 -3.658 434 3HG1 VAL 111 3HG1 VAL 111 -0.681 6.535 -2.844 435 1HG2 VAL 111 1HG2 VAL 111 2.698 5.398 -4.168 436 2HG2 VAL 111 2HG2 VAL 111 3.314 4.863 -2.557 437 3HG2 VAL 111 3HG2 VAL 111 1.892 4.047 -3.290 438 H LYS 112 H LYS 112 2.561 8.738 -0.226 439 HA LYS 112 HA LYS 112 0.152 10.283 -0.701 440 1HB LYS 112 1HB LYS 112 0.815 10.035 1.659 441 2HB LYS 112 2HB LYS 112 2.506 10.467 1.288 442 1HG LYS 112 1HG LYS 112 0.349 12.537 0.724 443 2HG LYS 112 2HG LYS 112 0.729 12.166 2.440 444 1HD LYS 112 1HD LYS 112 2.876 12.979 0.395 445 2HD LYS 112 2HD LYS 112 2.009 14.128 1.476 446 1HE LYS 112 1HE LYS 112 2.911 12.951 3.490 447 2HE LYS 112 2HE LYS 112 3.784 11.776 2.424 448 1HZ LYS 112 1HZ LYS 112 4.174 14.719 2.458 449 2HZ LYS 112 2HZ LYS 112 5.193 13.552 3.155 450 3HZ LYS 112 3HZ LYS 112 4.992 13.607 1.469 451 H GLU 113 H GLU 113 3.685 10.369 -1.218 452 HA GLU 113 HA GLU 113 3.563 12.915 -2.405 453 1HB GLU 113 1HB GLU 113 5.589 11.004 -1.779 454 2HB GLU 113 2HB GLU 113 5.566 11.134 -3.570 455 1HG GLU 113 1HG GLU 113 7.039 12.906 -3.028 456 2HG GLU 113 2HG GLU 113 5.395 13.669 -3.255 457 H ALA 114 H ALA 114 2.846 9.740 -3.627 458 HA ALA 114 HA ALA 114 3.472 10.615 -6.317 459 1HB ALA 114 2HB ALA 114 2.243 7.952 -5.455 460 2HB ALA 114 1HB ALA 114 4.021 8.272 -5.554 461 3HB ALA 114 3HB ALA 114 3.008 8.347 -7.037 462 H LEU 115 H LEU 115 0.883 10.890 -4.187 463 HA LEU 115 HA LEU 115 -0.984 10.953 -6.519 464 1HB LEU 115 1HB LEU 115 -1.939 11.029 -3.598 465 2HB LEU 115 2HB LEU 115 -2.938 10.967 -5.096 466 HG LEU 115 HG LEU 115 -0.748 9.151 -4.313 467 1HD1 LEU 115 1HD1 LEU 115 -2.400 9.129 -2.429 468 2HD1 LEU 115 2HD1 LEU 115 -3.761 8.824 -3.573 469 3HD1 LEU 115 3HD1 LEU 115 -2.534 7.541 -3.274 470 1HD2 LEU 115 1HD2 LEU 115 -3.201 8.698 -6.183 471 2HD2 LEU 115 2HD2 LEU 115 -1.459 8.717 -6.658 472 3HD2 LEU 115 3HD2 LEU 115 -2.128 7.348 -5.687 473 H GLN 116 H GLN 116 -0.275 12.265 -3.440 474 HA GLN 116 HA GLN 116 -2.386 14.181 -3.889 475 1HB GLN 116 1HB GLN 116 -2.048 12.815 -1.727 476 2HB GLN 116 2HB GLN 116 -0.574 13.789 -1.416 477 1HG GLN 116 1HG GLN 116 -2.008 15.885 -1.319 478 2HG GLN 116 2HG GLN 116 -3.474 14.836 -1.492 479 1HE2 GLN 116 2HE2 GLN 116 -3.301 12.756 0.043 480 2HE2 GLN 116 1HE2 GLN 116 -2.860 13.078 1.688 481 H VAL 117 H VAL 117 1.003 13.866 -3.624 482 HA VAL 117 HA VAL 117 1.337 16.784 -3.708 483 HB VAL 117 HB VAL 117 3.562 14.839 -3.098 484 1HG1 VAL 117 1HG1 VAL 117 2.893 17.757 -2.319 485 2HG1 VAL 117 2HG1 VAL 117 4.340 16.847 -1.745 486 3HG1 VAL 117 3HG1 VAL 117 4.154 17.217 -3.495 487 1HG2 VAL 117 1HG2 VAL 117 1.341 15.822 -1.176 488 2HG2 VAL 117 2HG2 VAL 117 1.774 14.117 -1.564 489 3HG2 VAL 117 3HG2 VAL 117 2.918 15.136 -0.632 490 H GLN 118 H GLN 118 1.346 13.738 -5.471 491 HA GLN 118 HA GLN 118 3.412 14.517 -7.198 492 1HB GLN 118 1HB GLN 118 2.770 12.333 -7.759 493 2HB GLN 118 2HB GLN 118 1.074 12.695 -7.317 494 1HG GLN 118 1HG GLN 118 1.112 12.063 -9.616 495 2HG GLN 118 2HG GLN 118 0.607 13.778 -9.500 496 1HE2 GLN 118 2HE2 GLN 118 3.743 11.897 -9.556 497 2HE2 GLN 118 1HE2 GLN 118 4.511 12.836 -10.791 No H/Q in entry = 497 Start of MODEL 19 1 H1 TRP 59 1H TRP 59 -4.099 -11.777 1.070 2 H2 TRP 59 2H TRP 59 -3.203 -12.525 -0.165 3 H3 TRP 59 3H TRP 59 -2.559 -12.414 1.401 4 HA TRP 59 HA TRP 59 -2.472 -10.063 1.253 5 1HB TRP 59 1HB TRP 59 -1.056 -11.291 -1.174 6 2HB TRP 59 2HB TRP 59 -0.557 -9.943 -0.163 7 HD1 TRP 59 HD1 TRP 59 0.585 -10.593 2.258 8 HE1 TRP 59 HE1 TRP 59 1.616 -12.793 3.070 9 HE3 TRP 59 HE3 TRP 59 -1.444 -13.695 -1.203 10 HZ2 TRP 59 HZ2 TRP 59 1.551 -15.521 2.321 11 HZ3 TRP 59 HZ3 TRP 59 -0.943 -16.093 -1.093 12 HH2 TRP 59 HH2 TRP 59 0.526 -16.995 0.642 13 H ILE 60 H ILE 60 -4.917 -9.652 0.742 14 HA ILE 60 HA ILE 60 -5.050 -8.303 -1.791 15 HB ILE 60 HB ILE 60 -7.478 -9.137 -2.018 16 1HG1 ILE 60 1HG1 ILE 60 -7.689 -10.717 -0.143 17 2HG1 ILE 60 2HG1 ILE 60 -7.844 -11.531 -1.734 18 1HG2 ILE 60 1HG2 ILE 60 -5.683 -9.082 -3.639 19 2HG2 ILE 60 2HG2 ILE 60 -5.020 -10.656 -3.053 20 3HG2 ILE 60 3HG2 ILE 60 -6.661 -10.592 -3.819 21 1HD1 ILE 60 1HD1 ILE 60 -5.235 -12.030 -1.334 22 2HD1 ILE 60 2HD1 ILE 60 -5.680 -11.703 0.381 23 3HD1 ILE 60 3HD1 ILE 60 -6.506 -13.047 -0.506 24 H ALA 61 H ALA 61 -6.933 -9.428 1.013 25 HA ALA 61 HA ALA 61 -8.390 -6.908 1.087 26 1HB ALA 61 1HB ALA 61 -8.804 -9.581 2.592 27 2HB ALA 61 3HB ALA 61 -9.780 -9.048 1.172 28 3HB ALA 61 2HB ALA 61 -9.879 -8.139 2.728 29 H ARG 62 H ARG 62 -5.606 -8.317 1.928 30 HA ARG 62 HA ARG 62 -5.382 -7.518 4.650 31 1HB ARG 62 1HB ARG 62 -3.250 -8.078 2.496 32 2HB ARG 62 2HB ARG 62 -2.985 -8.042 4.264 33 1HG ARG 62 1HG ARG 62 -4.857 -10.026 4.187 34 2HG ARG 62 2HG ARG 62 -4.319 -10.121 2.501 35 1HD ARG 62 1HD ARG 62 -2.928 -11.702 3.829 36 2HD ARG 62 2HD ARG 62 -1.883 -10.324 3.298 37 HE ARG 62 HE ARG 62 -1.761 -9.574 5.546 38 1HH1 ARG 62 1HH1 ARG 62 -2.165 -9.740 7.839 39 2HH1 ARG 62 2HH1 ARG 62 -3.327 -10.877 8.439 40 1HH2 ARG 62 1HH2 ARG 62 -4.222 -12.144 5.241 41 2HH2 ARG 62 2HH2 ARG 62 -4.512 -12.260 6.947 42 H ILE 63 H ILE 63 -4.529 -6.383 1.291 43 HA ILE 63 HA ILE 63 -3.302 -4.075 2.041 44 HB ILE 63 HB ILE 63 -4.777 -4.621 -0.585 45 1HG1 ILE 63 1HG1 ILE 63 -2.123 -5.758 0.352 46 2HG1 ILE 63 2HG1 ILE 63 -3.597 -6.764 0.109 47 1HG2 ILE 63 1HG2 ILE 63 -3.564 -2.437 -0.061 48 2HG2 ILE 63 2HG2 ILE 63 -2.090 -3.425 0.302 49 3HG2 ILE 63 3HG2 ILE 63 -2.746 -3.344 -1.389 50 1HD1 ILE 63 1HD1 ILE 63 -2.310 -5.224 -2.219 51 2HD1 ILE 63 2HD1 ILE 63 -1.833 -6.884 -1.766 52 3HD1 ILE 63 3HD1 ILE 63 -3.534 -6.536 -2.273 53 H ASN 64 H ASN 64 -6.596 -5.051 0.932 54 HA ASN 64 HA ASN 64 -7.589 -2.481 0.691 55 1HB ASN 64 1HB ASN 64 -8.710 -4.816 0.148 56 2HB ASN 64 2HB ASN 64 -9.284 -4.764 1.846 57 1HD2 ASN 64 2HD2 ASN 64 -11.036 -3.497 2.378 58 2HD2 ASN 64 1HD2 ASN 64 -11.826 -2.384 1.312 59 H ALA 65 H ALA 65 -7.300 -4.689 3.412 60 HA ALA 65 HA ALA 65 -8.810 -3.073 5.186 61 1HB ALA 65 2HB ALA 65 -7.871 -4.481 7.051 62 2HB ALA 65 3HB ALA 65 -8.558 -5.486 5.725 63 3HB ALA 65 1HB ALA 65 -6.769 -5.269 5.857 64 H ALA 66 H ALA 66 -5.365 -3.090 4.195 65 HA ALA 66 HA ALA 66 -4.622 -1.749 6.598 66 1HB ALA 66 2HB ALA 66 -3.123 -1.970 3.928 67 2HB ALA 66 3HB ALA 66 -2.421 -1.447 5.506 68 3HB ALA 66 1HB ALA 66 -2.990 -3.141 5.295 69 H VAL 67 H VAL 67 -5.716 -0.763 3.342 70 HA VAL 67 HA VAL 67 -4.483 1.815 3.690 71 HB VAL 67 HB VAL 67 -5.159 2.256 1.384 72 1HG1 VAL 67 1HG1 VAL 67 -3.724 -0.420 1.852 73 2HG1 VAL 67 2HG1 VAL 67 -3.833 0.451 0.281 74 3HG1 VAL 67 3HG1 VAL 67 -3.013 1.231 1.685 75 1HG2 VAL 67 1HG2 VAL 67 -6.587 -0.471 1.628 76 2HG2 VAL 67 2HG2 VAL 67 -7.315 1.117 1.210 77 3HG2 VAL 67 3HG2 VAL 67 -6.179 0.319 0.072 78 H ARG 68 H ARG 68 -7.506 0.435 4.486 79 HA ARG 68 HA ARG 68 -9.116 2.478 3.385 80 1HB ARG 68 1HB ARG 68 -11.000 1.374 4.478 81 2HB ARG 68 2HB ARG 68 -9.937 0.163 3.697 82 1HG ARG 68 1HG ARG 68 -8.814 -0.187 5.973 83 2HG ARG 68 2HG ARG 68 -10.100 0.832 6.705 84 1HD ARG 68 1HD ARG 68 -11.844 -0.785 5.874 85 2HD ARG 68 2HD ARG 68 -10.512 -1.765 5.100 86 HE ARG 68 HE ARG 68 -10.119 -1.227 7.988 87 1HH1 ARG 68 1HH1 ARG 68 -10.169 -3.128 9.369 88 2HH1 ARG 68 2HH1 ARG 68 -10.803 -4.623 8.765 89 1HH2 ARG 68 1HH2 ARG 68 -11.588 -3.362 5.534 90 2HH2 ARG 68 2HH2 ARG 68 -11.618 -4.759 6.560 91 H ALA 69 H ALA 69 -7.101 2.432 6.078 92 HA ALA 69 HA ALA 69 -8.665 3.909 7.899 93 1HB ALA 69 1HB ALA 69 -5.612 3.698 7.478 94 2HB ALA 69 2HB ALA 69 -6.391 4.474 8.910 95 3HB ALA 69 3HB ALA 69 -6.581 2.700 8.621 96 H TYR 70 H TYR 70 -6.550 4.655 5.093 97 HA TYR 70 HA TYR 70 -6.283 7.365 5.899 98 1HB TYR 70 1HB TYR 70 -5.597 6.060 3.188 99 2HB TYR 70 2HB TYR 70 -4.981 7.652 3.808 100 HD1 TYR 70 HD1 TYR 70 -4.206 4.298 3.394 101 HD2 TYR 70 HD2 TYR 70 -3.948 7.400 6.313 102 HE1 TYR 70 HE1 TYR 70 -2.376 3.109 4.491 103 HE2 TYR 70 HE2 TYR 70 -2.118 6.197 7.420 104 HH TYR 70 HH TYR 70 -0.859 3.123 6.149 105 H GLY 71 H GLY 71 -8.102 5.522 3.397 106 1HA GLY 71 2HA GLY 71 -9.217 8.043 2.446 107 2HA GLY 71 1HA GLY 71 -10.308 6.707 3.027 108 H LEU 72 H LEU 72 -7.326 5.630 1.806 109 HA LEU 72 HA LEU 72 -8.009 5.340 -0.975 110 1HB LEU 72 1HB LEU 72 -6.049 3.947 0.918 111 2HB LEU 72 2HB LEU 72 -6.044 3.721 -0.868 112 HG LEU 72 HG LEU 72 -5.639 6.451 0.519 113 1HD1 LEU 72 1HD1 LEU 72 -3.619 4.260 -0.128 114 2HD1 LEU 72 2HD1 LEU 72 -3.138 6.004 -0.052 115 3HD1 LEU 72 3HD1 LEU 72 -3.844 5.189 1.393 116 1HD2 LEU 72 1HD2 LEU 72 -6.352 6.527 -1.857 117 2HD2 LEU 72 2HD2 LEU 72 -4.647 7.098 -1.673 118 3HD2 LEU 72 3HD2 LEU 72 -4.994 5.443 -2.318 119 H ASN 73 H ASN 73 -8.540 3.457 -1.999 120 HA ASN 73 HA ASN 73 -9.909 1.634 -0.232 121 1HB ASN 73 1HB ASN 73 -11.811 1.450 -1.796 122 2HB ASN 73 2HB ASN 73 -11.580 3.177 -1.350 123 1HD2 ASN 73 2HD2 ASN 73 -10.060 4.459 -2.927 124 2HD2 ASN 73 1HD2 ASN 73 -10.300 4.168 -4.617 125 H TYR 74 H TYR 74 -7.269 1.614 -1.533 126 HA TYR 74 HA TYR 74 -5.927 0.069 -2.211 127 1HB TYR 74 1HB TYR 74 -6.919 -1.905 -1.471 128 2HB TYR 74 2HB TYR 74 -8.336 -1.761 -2.558 129 HD1 TYR 74 HD1 TYR 74 -8.150 -2.165 -4.958 130 HD2 TYR 74 HD2 TYR 74 -5.071 -3.197 -2.201 131 HE1 TYR 74 HE1 TYR 74 -7.255 -3.795 -6.560 132 HE2 TYR 74 HE2 TYR 74 -4.174 -4.810 -3.806 133 HH TYR 74 HH TYR 74 -4.360 -5.736 -5.817 134 H SER 75 H SER 75 -8.480 1.415 -4.177 135 HA SER 75 HA SER 75 -7.333 0.319 -6.594 136 1HB SER 75 1HB SER 75 -9.852 0.679 -6.428 137 2HB SER 75 2HB SER 75 -9.541 2.448 -6.231 138 HG SER 75 HG SER 75 -9.050 0.780 -8.454 139 H THR 76 H THR 76 -7.504 3.394 -4.827 140 HA THR 76 HA THR 76 -6.269 4.800 -7.002 141 HB THR 76 HB THR 76 -6.263 6.645 -5.133 142 HG1 THR 76 HG1 THR 76 -7.610 6.168 -3.475 143 1HG2 THR 76 1HG2 THR 76 -7.851 6.499 -7.105 144 2HG2 THR 76 2HG2 THR 76 -8.881 5.341 -6.182 145 3HG2 THR 76 3HG2 THR 76 -8.707 7.043 -5.612 146 H PHE 77 H PHE 77 -5.451 3.080 -4.075 147 HA PHE 77 HA PHE 77 -2.967 4.287 -3.677 148 1HB PHE 77 1HB PHE 77 -4.306 2.627 -2.091 149 2HB PHE 77 2HB PHE 77 -3.630 1.311 -3.108 150 HD1 PHE 77 HD1 PHE 77 -2.186 0.257 -1.688 151 HD2 PHE 77 HD2 PHE 77 -1.959 4.520 -1.910 152 HE1 PHE 77 HE1 PHE 77 -0.260 0.258 -0.165 153 HE2 PHE 77 HE2 PHE 77 -0.053 4.500 -0.426 154 HZ PHE 77 HZ PHE 77 0.799 2.372 0.483 155 H ILE 78 H ILE 78 -4.233 1.478 -5.430 156 HA ILE 78 HA ILE 78 -1.990 0.386 -6.376 157 HB ILE 78 HB ILE 78 -4.837 0.315 -6.812 158 1HG1 ILE 78 1HG1 ILE 78 -4.616 -1.928 -7.069 159 2HG1 ILE 78 2HG1 ILE 78 -2.945 -1.869 -7.730 160 1HG2 ILE 78 1HG2 ILE 78 -3.228 -0.127 -9.403 161 2HG2 ILE 78 2HG2 ILE 78 -4.914 -0.660 -9.094 162 3HG2 ILE 78 3HG2 ILE 78 -4.553 1.086 -9.126 163 1HD1 ILE 78 1HD1 ILE 78 -3.664 -1.293 -4.770 164 2HD1 ILE 78 2HD1 ILE 78 -3.101 -2.881 -5.408 165 3HD1 ILE 78 3HD1 ILE 78 -2.016 -1.465 -5.469 166 H ASN 79 H ASN 79 -3.919 3.051 -7.724 167 HA ASN 79 HA ASN 79 -2.544 3.048 -10.125 168 1HB ASN 79 1HB ASN 79 -3.541 4.944 -10.822 169 2HB ASN 79 2HB ASN 79 -4.795 4.222 -9.721 170 1HD2 ASN 79 2HD2 ASN 79 -2.512 6.853 -10.442 171 2HD2 ASN 79 1HD2 ASN 79 -3.215 8.044 -9.399 172 H GLY 80 H GLY 80 -2.258 5.151 -7.406 173 1HA GLY 80 2HA GLY 80 -0.560 6.614 -6.768 174 2HA GLY 80 1HA GLY 80 -0.035 6.508 -8.476 175 H LEU 81 H LEU 81 -0.076 3.399 -6.994 176 HA LEU 81 HA LEU 81 2.594 3.383 -6.086 177 1HB LEU 81 1HB LEU 81 1.584 1.108 -7.837 178 2HB LEU 81 2HB LEU 81 2.864 1.083 -6.609 179 HG LEU 81 HG LEU 81 -0.082 1.367 -5.909 180 1HD1 LEU 81 1HD1 LEU 81 0.390 -0.826 -6.979 181 2HD1 LEU 81 2HD1 LEU 81 1.728 -1.111 -5.798 182 3HD1 LEU 81 3HD1 LEU 81 0.026 -1.003 -5.224 183 1HD2 LEU 81 1HD2 LEU 81 1.526 2.345 -4.213 184 2HD2 LEU 81 2HD2 LEU 81 0.664 0.896 -3.586 185 3HD2 LEU 81 3HD2 LEU 81 2.376 0.755 -4.140 186 H LYS 82 H LYS 82 1.168 3.266 -9.370 187 HA LYS 82 HA LYS 82 3.466 2.269 -10.625 188 1HB LYS 82 1HB LYS 82 1.165 2.178 -11.641 189 2HB LYS 82 2HB LYS 82 1.160 3.971 -11.746 190 1HG LYS 82 1HG LYS 82 2.997 3.923 -13.407 191 2HG LYS 82 2HG LYS 82 3.191 2.150 -13.173 192 1HD LYS 82 1HD LYS 82 1.998 2.547 -15.250 193 2HD LYS 82 2HD LYS 82 0.885 1.774 -14.069 194 1HE LYS 82 1HE LYS 82 -0.189 4.015 -13.623 195 2HE LYS 82 2HE LYS 82 0.954 4.785 -14.800 196 1HZ LYS 82 1HZ LYS 82 0.062 3.347 -16.507 197 2HZ LYS 82 2HZ LYS 82 -1.006 2.629 -15.396 198 3HZ LYS 82 3HZ LYS 82 -1.162 4.275 -15.783 199 H LYS 83 H LYS 83 2.178 5.484 -9.840 200 HA LYS 83 HA LYS 83 4.084 6.958 -11.276 201 1HB LYS 83 1HB LYS 83 2.126 7.512 -9.005 202 2HB LYS 83 2HB LYS 83 3.394 8.731 -9.411 203 1HG LYS 83 1HG LYS 83 2.655 8.774 -11.772 204 2HG LYS 83 2HG LYS 83 1.326 7.617 -11.418 205 1HD LYS 83 1HD LYS 83 1.626 10.330 -9.978 206 2HD LYS 83 2HD LYS 83 0.774 10.155 -11.552 207 1HE LYS 83 1HE LYS 83 -0.859 8.568 -10.557 208 2HE LYS 83 2HE LYS 83 -0.038 8.700 -8.949 209 1HZ LYS 83 1HZ LYS 83 -1.239 10.954 -10.468 210 2HZ LYS 83 2HZ LYS 83 -1.947 10.144 -9.154 211 3HZ LYS 83 3HZ LYS 83 -0.517 11.035 -8.933 212 H ALA 84 H ALA 84 4.015 5.489 -8.018 213 HA ALA 84 HA ALA 84 6.250 6.950 -7.117 214 1HB ALA 84 1HB ALA 84 4.662 5.946 -5.490 215 2HB ALA 84 2HB ALA 84 5.107 4.297 -6.070 216 3HB ALA 84 3HB ALA 84 6.332 5.322 -5.229 217 H GLY 85 H GLY 85 5.821 3.555 -8.239 218 1HA GLY 85 2HA GLY 85 8.678 3.525 -8.902 219 2HA GLY 85 1HA GLY 85 7.347 2.746 -9.856 220 H ILE 86 H ILE 86 5.857 1.953 -7.478 221 HA ILE 86 HA ILE 86 7.604 0.015 -6.227 222 HB ILE 86 HB ILE 86 4.871 1.230 -5.540 223 1HG1 ILE 86 1HG1 ILE 86 7.661 1.473 -4.251 224 2HG1 ILE 86 2HG1 ILE 86 6.791 2.745 -5.173 225 1HG2 ILE 86 1HG2 ILE 86 6.487 -0.983 -4.101 226 2HG2 ILE 86 2HG2 ILE 86 5.048 -0.142 -3.407 227 3HG2 ILE 86 3HG2 ILE 86 4.857 -1.137 -4.870 228 1HD1 ILE 86 1HD1 ILE 86 4.934 2.661 -3.413 229 2HD1 ILE 86 2HD1 ILE 86 6.008 1.591 -2.431 230 3HD1 ILE 86 3HD1 ILE 86 6.527 3.266 -2.824 231 H GLU 87 H GLU 87 4.213 0.424 -7.286 232 HA GLU 87 HA GLU 87 2.708 -0.982 -7.868 233 1HB GLU 87 1HB GLU 87 3.703 -0.066 -10.027 234 2HB GLU 87 2HB GLU 87 4.399 -1.704 -10.268 235 1HG GLU 87 1HG GLU 87 2.023 -2.659 -10.030 236 2HG GLU 87 2HG GLU 87 1.409 -0.967 -9.878 237 H LEU 88 H LEU 88 3.273 -2.265 -5.913 238 HA LEU 88 HA LEU 88 4.317 -4.877 -6.697 239 1HB LEU 88 1HB LEU 88 5.774 -2.995 -5.554 240 2HB LEU 88 2HB LEU 88 5.004 -3.552 -4.048 241 HG LEU 88 HG LEU 88 6.402 -5.461 -6.023 242 1HD1 LEU 88 1HD1 LEU 88 7.980 -3.614 -5.513 243 2HD1 LEU 88 2HD1 LEU 88 7.761 -3.895 -3.744 244 3HD1 LEU 88 3HD1 LEU 88 8.524 -5.168 -4.774 245 1HD2 LEU 88 1HD2 LEU 88 5.975 -5.659 -2.972 246 2HD2 LEU 88 2HD2 LEU 88 5.093 -6.605 -4.232 247 3HD2 LEU 88 3HD2 LEU 88 6.858 -6.854 -3.988 248 H ASP 89 H ASP 89 1.998 -2.930 -4.825 249 HA ASP 89 HA ASP 89 1.032 -5.165 -3.274 250 1HB ASP 89 1HB ASP 89 -0.985 -3.115 -4.154 251 2HB ASP 89 2HB ASP 89 -0.814 -3.977 -2.622 252 H ARG 90 H ARG 90 -0.565 -6.500 -3.807 253 HA ARG 90 HA ARG 90 -2.691 -6.298 -5.284 254 1HB ARG 90 1HB ARG 90 -1.216 -6.160 -7.469 255 2HB ARG 90 2HB ARG 90 -0.632 -7.806 -7.044 256 1HG ARG 90 1HG ARG 90 -2.960 -8.677 -7.285 257 2HG ARG 90 2HG ARG 90 -3.581 -6.997 -7.391 258 1HD ARG 90 1HD ARG 90 -2.208 -6.710 -9.566 259 2HD ARG 90 2HD ARG 90 -1.916 -8.495 -9.502 260 HE ARG 90 HE ARG 90 -4.212 -8.867 -9.986 261 1HH1 ARG 90 1HH1 ARG 90 -6.297 -8.148 -10.763 262 2HH1 ARG 90 2HH1 ARG 90 -6.704 -6.465 -10.735 263 1HH2 ARG 90 1HH2 ARG 90 -3.622 -5.395 -9.336 264 2HH2 ARG 90 2HH2 ARG 90 -5.171 -4.887 -9.918 265 H LYS 91 H LYS 91 0.294 -7.757 -4.178 266 HA LYS 91 HA LYS 91 -0.771 -9.609 -2.670 267 1HB LYS 91 1HB LYS 91 -0.881 -10.553 -5.365 268 2HB LYS 91 2HB LYS 91 0.719 -11.134 -4.827 269 1HG LYS 91 1HG LYS 91 -0.274 -12.450 -3.039 270 2HG LYS 91 2HG LYS 91 -1.860 -11.620 -3.214 271 1HD LYS 91 1HD LYS 91 -0.665 -13.395 -5.420 272 2HD LYS 91 2HD LYS 91 -1.745 -13.992 -4.111 273 1HE LYS 91 1HE LYS 91 -3.540 -12.382 -4.818 274 2HE LYS 91 2HE LYS 91 -2.500 -11.839 -6.197 275 1HZ LYS 91 1HZ LYS 91 -3.436 -14.617 -5.705 276 2HZ LYS 91 2HZ LYS 91 -4.066 -13.529 -6.847 277 3HZ LYS 91 3HZ LYS 91 -2.472 -14.097 -7.004 278 H ILE 92 H ILE 92 0.740 -9.580 -1.203 279 HA ILE 92 HA ILE 92 2.513 -10.035 -0.201 280 HB ILE 92 HB ILE 92 3.666 -10.728 -2.855 281 1HG1 ILE 92 1HG1 ILE 92 1.447 -11.909 -1.490 282 2HG1 ILE 92 2HG1 ILE 92 2.183 -12.283 -3.055 283 1HG2 ILE 92 1HG2 ILE 92 5.371 -10.457 -0.976 284 2HG2 ILE 92 2HG2 ILE 92 4.414 -11.589 0.042 285 3HG2 ILE 92 3HG2 ILE 92 5.245 -12.176 -1.452 286 1HD1 ILE 92 1HD1 ILE 92 3.813 -13.864 -1.924 287 2HD1 ILE 92 2HD1 ILE 92 3.043 -13.486 -0.329 288 3HD1 ILE 92 3HD1 ILE 92 2.098 -14.313 -1.617 289 H LEU 93 H LEU 93 2.536 -8.113 0.412 290 HA LEU 93 HA LEU 93 4.738 -6.489 0.436 291 1HB LEU 93 1HB LEU 93 4.262 -5.679 -1.680 292 2HB LEU 93 2HB LEU 93 2.542 -5.864 -1.440 293 HG LEU 93 HG LEU 93 3.824 -3.811 0.327 294 1HD1 LEU 93 1HD1 LEU 93 4.951 -3.283 -1.740 295 2HD1 LEU 93 2HD1 LEU 93 3.376 -3.175 -2.613 296 3HD1 LEU 93 3HD1 LEU 93 3.759 -2.001 -1.301 297 1HD2 LEU 93 1HD2 LEU 93 1.103 -4.125 -1.034 298 2HD2 LEU 93 2HD2 LEU 93 1.464 -3.900 0.705 299 3HD2 LEU 93 3HD2 LEU 93 1.657 -2.508 -0.395 300 H ALA 94 H ALA 94 1.361 -6.948 -0.075 301 HA ALA 94 HA ALA 94 0.096 -5.727 1.954 302 1HB ALA 94 1HB ALA 94 -0.603 -7.364 0.019 303 2HB ALA 94 2HB ALA 94 -0.218 -8.660 1.274 304 3HB ALA 94 3HB ALA 94 -1.534 -7.480 1.600 305 H ASP 95 H ASP 95 2.423 -8.402 2.055 306 HA ASP 95 HA ASP 95 1.782 -9.336 4.589 307 1HB ASP 95 1HB ASP 95 4.002 -10.294 4.580 308 2HB ASP 95 2HB ASP 95 3.190 -10.467 2.961 309 H MET 96 H MET 96 4.012 -6.942 3.283 310 HA MET 96 HA MET 96 4.725 -6.091 5.939 311 1HB MET 96 1HB MET 96 6.362 -5.023 4.947 312 2HB MET 96 2HB MET 96 5.578 -5.178 3.366 313 1HG MET 96 1HG MET 96 4.728 -2.898 5.180 314 2HG MET 96 2HG MET 96 6.259 -2.870 4.308 315 1HE MET 96 1HE MET 96 6.786 -2.278 2.176 316 2HE MET 96 2HE MET 96 6.279 -3.946 1.723 317 3HE MET 96 3HE MET 96 5.768 -2.552 0.721 318 H ALA 97 H ALA 97 1.919 -5.332 3.920 319 HA ALA 97 HA ALA 97 1.433 -2.859 4.957 320 1HB ALA 97 1HB ALA 97 0.242 -3.745 2.939 321 2HB ALA 97 2HB ALA 97 -0.711 -4.833 4.025 322 3HB ALA 97 3HB ALA 97 -0.875 -3.044 4.158 323 H VAL 98 H VAL 98 0.737 -6.038 6.366 324 HA VAL 98 HA VAL 98 -0.837 -4.704 8.437 325 HB VAL 98 HB VAL 98 -0.449 -7.682 8.350 326 1HG1 VAL 98 1HG1 VAL 98 -1.663 -6.561 10.223 327 2HG1 VAL 98 2HG1 VAL 98 -2.802 -5.801 9.046 328 3HG1 VAL 98 3HG1 VAL 98 -2.781 -7.593 9.258 329 1HG2 VAL 98 1HG2 VAL 98 -2.126 -6.112 6.307 330 2HG2 VAL 98 2HG2 VAL 98 -0.923 -7.451 6.048 331 3HG2 VAL 98 3HG2 VAL 98 -2.510 -7.798 6.797 332 H ARG 99 H ARG 99 1.888 -6.931 7.733 333 HA ARG 99 HA ARG 99 2.272 -7.387 10.493 334 1HB ARG 99 1HB ARG 99 3.908 -8.404 8.097 335 2HB ARG 99 2HB ARG 99 4.127 -8.874 9.805 336 1HG ARG 99 1HG ARG 99 2.918 -10.648 9.058 337 2HG ARG 99 2HG ARG 99 1.649 -9.628 9.807 338 1HD ARG 99 1HD ARG 99 0.891 -8.952 7.439 339 2HD ARG 99 2HD ARG 99 2.165 -10.017 6.759 340 HE ARG 99 HE ARG 99 0.329 -11.199 8.804 341 1HH1 ARG 99 1HH1 ARG 99 -0.614 -13.214 8.163 342 2HH1 ARG 99 2HH1 ARG 99 -0.565 -13.720 6.508 343 1HH2 ARG 99 1HH2 ARG 99 1.198 -10.859 5.345 344 2HH2 ARG 99 2HH2 ARG 99 0.476 -12.366 4.892 345 H ASP 100 H ASP 100 3.850 -5.285 8.082 346 HA ASP 100 HA ASP 100 5.788 -4.569 10.119 347 1HB ASP 100 1HB ASP 100 6.655 -5.785 7.985 348 2HB ASP 100 2HB ASP 100 6.284 -4.319 7.088 349 HA PRO 101 HA PRO 101 3.057 -1.244 8.618 350 1HB PRO 101 1HB PRO 101 2.482 -0.005 11.109 351 2HB PRO 101 2HB PRO 101 1.526 -1.349 10.361 352 1HG PRO 101 1HG PRO 101 3.710 -1.521 12.485 353 2HG PRO 101 2HG PRO 101 2.155 -2.454 12.381 354 1HD PRO 101 1HD PRO 101 4.630 -3.482 11.532 355 2HD PRO 101 2HD PRO 101 3.096 -3.923 10.646 356 H GLN 102 H GLN 102 6.094 -1.226 10.160 357 HA GLN 102 HA GLN 102 6.479 1.587 10.266 358 1HB GLN 102 1HB GLN 102 7.907 -0.050 11.551 359 2HB GLN 102 2HB GLN 102 8.479 -0.744 9.999 360 1HG GLN 102 1HG GLN 102 9.543 1.486 9.418 361 2HG GLN 102 2HG GLN 102 8.996 2.130 11.017 362 1HE2 GLN 102 2HE2 GLN 102 9.848 1.180 12.981 363 2HE2 GLN 102 1HE2 GLN 102 11.325 0.276 12.986 364 H ALA 103 H ALA 103 7.291 -1.129 8.015 365 HA ALA 103 HA ALA 103 8.347 0.636 6.078 366 1HB ALA 103 1HB ALA 103 7.532 -2.321 5.930 367 2HB ALA 103 3HB ALA 103 9.191 -1.683 6.203 368 3HB ALA 103 2HB ALA 103 8.384 -1.427 4.608 369 H PHE 104 H PHE 104 5.204 -1.170 6.492 370 HA PHE 104 HA PHE 104 3.998 -0.300 4.240 371 1HB PHE 104 1HB PHE 104 2.788 -1.626 6.058 372 2HB PHE 104 2HB PHE 104 2.648 -0.079 6.989 373 HD1 PHE 104 HD1 PHE 104 0.593 0.787 6.922 374 HD2 PHE 104 HD2 PHE 104 2.103 -1.007 3.352 375 HE1 PHE 104 HE1 PHE 104 -1.514 1.275 5.765 376 HE2 PHE 104 HE2 PHE 104 0.038 -0.446 2.188 377 HZ PHE 104 HZ PHE 104 -1.798 0.678 3.407 378 H GLU 105 H GLU 105 4.458 1.738 7.205 379 HA GLU 105 HA GLU 105 2.848 3.791 6.296 380 1HB GLU 105 1HB GLU 105 3.751 3.473 8.663 381 2HB GLU 105 2HB GLU 105 5.333 4.092 8.065 382 1HG GLU 105 1HG GLU 105 4.149 6.269 7.416 383 2HG GLU 105 2HG GLU 105 2.624 5.577 8.102 384 H GLN 106 H GLN 106 6.290 3.026 5.656 385 HA GLN 106 HA GLN 106 6.941 5.532 4.576 386 1HB GLN 106 1HB GLN 106 8.037 2.720 3.943 387 2HB GLN 106 2HB GLN 106 8.730 4.229 3.319 388 1HG GLN 106 1HG GLN 106 8.562 3.346 6.287 389 2HG GLN 106 2HG GLN 106 10.044 3.384 5.260 390 1HE2 GLN 106 2HE2 GLN 106 8.425 4.992 7.672 391 2HE2 GLN 106 1HE2 GLN 106 9.000 6.607 7.425 392 H VAL 107 H VAL 107 5.583 2.564 3.222 393 HA VAL 107 HA VAL 107 5.979 3.246 0.507 394 HB VAL 107 HB VAL 107 4.129 1.281 1.933 395 1HG1 VAL 107 1HG1 VAL 107 4.277 1.884 -1.094 396 2HG1 VAL 107 2HG1 VAL 107 3.592 0.375 -0.390 397 3HG1 VAL 107 3HG1 VAL 107 2.818 1.950 -0.043 398 1HG2 VAL 107 1HG2 VAL 107 6.560 1.039 0.035 399 2HG2 VAL 107 2HG2 VAL 107 6.566 0.742 1.817 400 3HG2 VAL 107 3HG2 VAL 107 5.631 -0.343 0.716 401 H VAL 108 H VAL 108 3.341 3.605 2.857 402 HA VAL 108 HA VAL 108 1.456 4.662 1.138 403 HB VAL 108 HB VAL 108 2.000 4.860 4.130 404 1HG1 VAL 108 1HG1 VAL 108 -0.271 6.184 2.523 405 2HG1 VAL 108 2HG1 VAL 108 -0.326 5.866 4.302 406 3HG1 VAL 108 3HG1 VAL 108 0.913 6.982 3.644 407 1HG2 VAL 108 1HG2 VAL 108 1.222 2.682 3.079 408 2HG2 VAL 108 2HG2 VAL 108 0.030 3.377 4.235 409 3HG2 VAL 108 3HG2 VAL 108 -0.237 3.539 2.460 410 H ASN 109 H ASN 109 3.987 6.275 3.146 411 HA ASN 109 HA ASN 109 3.025 8.832 2.510 412 1HB ASN 109 1HB ASN 109 5.884 8.004 3.322 413 2HB ASN 109 2HB ASN 109 5.271 9.699 3.280 414 1HD2 ASN 109 2HD2 ASN 109 2.568 9.058 4.323 415 2HD2 ASN 109 1HD2 ASN 109 2.761 8.716 6.012 416 H LYS 110 H LYS 110 5.227 6.629 0.826 417 HA LYS 110 HA LYS 110 6.422 8.665 -0.728 418 1HB LYS 110 1HB LYS 110 7.426 6.366 -0.239 419 2HB LYS 110 2HB LYS 110 6.191 5.657 -1.335 420 1HG LYS 110 1HG LYS 110 7.142 6.962 -3.244 421 2HG LYS 110 2HG LYS 110 8.293 7.776 -2.124 422 1HD LYS 110 1HD LYS 110 9.286 5.524 -1.559 423 2HD LYS 110 2HD LYS 110 8.206 4.765 -2.781 424 1HE LYS 110 1HE LYS 110 10.375 6.903 -3.345 425 2HE LYS 110 2HE LYS 110 10.488 5.135 -3.721 426 1HZ LYS 110 1HZ LYS 110 8.495 7.041 -4.834 427 2HZ LYS 110 2HZ LYS 110 9.866 6.430 -5.627 428 3HZ LYS 110 3HZ LYS 110 8.603 5.383 -5.188 429 H VAL 111 H VAL 111 3.570 6.582 -0.923 430 HA VAL 111 HA VAL 111 2.971 7.433 -3.629 431 HB VAL 111 HB VAL 111 1.706 5.531 -1.539 432 1HG1 VAL 111 1HG1 VAL 111 0.735 6.126 -4.418 433 2HG1 VAL 111 2HG1 VAL 111 0.271 4.650 -3.494 434 3HG1 VAL 111 3HG1 VAL 111 -0.211 6.269 -2.881 435 1HG2 VAL 111 1HG2 VAL 111 3.903 4.836 -2.704 436 2HG2 VAL 111 2HG2 VAL 111 2.514 3.729 -2.975 437 3HG2 VAL 111 3HG2 VAL 111 2.994 4.892 -4.267 438 H LYS 112 H LYS 112 2.419 8.695 -0.503 439 HA LYS 112 HA LYS 112 0.050 10.003 -1.507 440 1HB LYS 112 1HB LYS 112 1.906 10.684 0.860 441 2HB LYS 112 2HB LYS 112 0.448 11.633 0.406 442 1HG LYS 112 1HG LYS 112 0.520 8.796 1.563 443 2HG LYS 112 2HG LYS 112 -0.195 10.289 2.246 444 1HD LYS 112 1HD LYS 112 -1.755 10.348 0.219 445 2HD LYS 112 2HD LYS 112 -1.142 8.721 -0.231 446 1HE LYS 112 1HE LYS 112 -2.014 7.763 1.909 447 2HE LYS 112 2HE LYS 112 -2.443 9.419 2.508 448 1HZ LYS 112 1HZ LYS 112 -3.996 9.619 0.689 449 2HZ LYS 112 2HZ LYS 112 -3.615 8.056 0.144 450 3HZ LYS 112 3HZ LYS 112 -4.344 8.273 1.664 451 H GLU 113 H GLU 113 3.486 10.233 -1.586 452 HA GLU 113 HA GLU 113 3.481 12.988 -2.440 453 1HB GLU 113 1HB GLU 113 5.188 11.308 -1.111 454 2HB GLU 113 2HB GLU 113 5.825 11.108 -2.768 455 1HG GLU 113 1HG GLU 113 6.021 13.615 -3.001 456 2HG GLU 113 2HG GLU 113 5.559 13.784 -1.259 457 H ALA 114 H ALA 114 3.006 9.878 -3.593 458 HA ALA 114 HA ALA 114 3.925 10.624 -6.323 459 1HB ALA 114 2HB ALA 114 3.144 7.801 -5.530 460 2HB ALA 114 1HB ALA 114 4.865 8.379 -5.440 461 3HB ALA 114 3HB ALA 114 3.985 8.347 -7.014 462 H LEU 115 H LEU 115 1.470 10.813 -4.355 463 HA LEU 115 HA LEU 115 -0.574 10.428 -6.407 464 1HB LEU 115 1HB LEU 115 -0.599 12.336 -4.020 465 2HB LEU 115 2HB LEU 115 -1.902 12.231 -5.250 466 HG LEU 115 HG LEU 115 -0.958 9.918 -3.576 467 1HD1 LEU 115 1HD1 LEU 115 -1.838 11.691 -2.079 468 2HD1 LEU 115 2HD1 LEU 115 -3.373 11.756 -3.023 469 3HD1 LEU 115 3HD1 LEU 115 -2.948 10.267 -2.088 470 1HD2 LEU 115 1HD2 LEU 115 -3.504 10.218 -5.270 471 2HD2 LEU 115 2HD2 LEU 115 -2.117 9.097 -5.565 472 3HD2 LEU 115 3HD2 LEU 115 -3.180 8.849 -4.138 473 H GLN 116 H GLN 116 2.018 12.258 -5.239 474 HA GLN 116 HA GLN 116 2.959 14.229 -5.549 475 1HB GLN 116 1HB GLN 116 1.585 14.310 -8.282 476 2HB GLN 116 2HB GLN 116 2.881 15.422 -7.723 477 1HG GLN 116 1HG GLN 116 4.469 13.518 -7.497 478 2HG GLN 116 2HG GLN 116 3.178 12.354 -7.993 479 1HE2 GLN 116 2HE2 GLN 116 3.268 11.758 -10.067 480 2HE2 GLN 116 1HE2 GLN 116 3.822 12.720 -11.396 481 H VAL 117 H VAL 117 0.919 14.156 -3.880 482 HA VAL 117 HA VAL 117 -0.331 16.769 -4.318 483 HB VAL 117 HB VAL 117 -1.425 14.346 -2.801 484 1HG1 VAL 117 1HG1 VAL 117 -2.330 17.311 -2.800 485 2HG1 VAL 117 2HG1 VAL 117 -3.320 15.937 -2.186 486 3HG1 VAL 117 3HG1 VAL 117 -1.781 16.355 -1.368 487 1HG2 VAL 117 1HG2 VAL 117 -1.851 14.446 -5.302 488 2HG2 VAL 117 2HG2 VAL 117 -3.364 14.676 -4.348 489 3HG2 VAL 117 3HG2 VAL 117 -2.544 16.096 -5.099 490 H GLN 118 H GLN 118 0.767 14.310 -1.796 491 HA GLN 118 HA GLN 118 0.906 16.581 -0.052 492 1HB GLN 118 1HB GLN 118 0.389 15.068 1.466 493 2HB GLN 118 2HB GLN 118 0.697 13.731 0.321 494 1HG GLN 118 1HG GLN 118 3.106 13.659 0.941 495 2HG GLN 118 2HG GLN 118 2.879 15.068 2.055 496 1HE2 GLN 118 2HE2 GLN 118 0.539 14.586 3.379 497 2HE2 GLN 118 1HE2 GLN 118 0.632 13.125 4.300 No H/Q in entry = 497 Start of MODEL 20 1 H1 TRP 59 1H TRP 59 -2.845 -10.002 -0.011 2 H2 TRP 59 2H TRP 59 -2.211 -10.645 -1.449 3 H3 TRP 59 3H TRP 59 -1.262 -9.618 -0.488 4 HA TRP 59 HA TRP 59 -2.760 -7.855 -0.846 5 1HB TRP 59 1HB TRP 59 -1.032 -7.552 -2.329 6 2HB TRP 59 2HB TRP 59 -1.141 -9.190 -2.932 7 HD1 TRP 59 HD1 TRP 59 -2.534 -5.600 -3.767 8 HE1 TRP 59 HE1 TRP 59 -3.343 -5.636 -6.176 9 HE3 TRP 59 HE3 TRP 59 -2.175 -10.596 -4.627 10 HZ2 TRP 59 HZ2 TRP 59 -3.824 -7.552 -8.192 11 HZ3 TRP 59 HZ3 TRP 59 -2.901 -11.474 -6.796 12 HH2 TRP 59 HH2 TRP 59 -3.710 -9.980 -8.555 13 H ILE 60 H ILE 60 -4.887 -8.582 -0.097 14 HA ILE 60 HA ILE 60 -6.173 -7.791 -2.216 15 HB ILE 60 HB ILE 60 -8.262 -9.659 -1.683 16 1HG1 ILE 60 1HG1 ILE 60 -7.386 -11.820 -2.475 17 2HG1 ILE 60 2HG1 ILE 60 -5.704 -11.207 -2.433 18 1HG2 ILE 60 1HG2 ILE 60 -7.905 -8.295 -3.714 19 2HG2 ILE 60 2HG2 ILE 60 -6.533 -9.354 -4.206 20 3HG2 ILE 60 3HG2 ILE 60 -8.190 -10.037 -4.086 21 1HD1 ILE 60 1HD1 ILE 60 -5.969 -10.755 0.025 22 2HD1 ILE 60 2HD1 ILE 60 -7.586 -11.553 -0.027 23 3HD1 ILE 60 3HD1 ILE 60 -6.090 -12.510 -0.401 24 H ALA 61 H ALA 61 -7.448 -9.628 0.630 25 HA ALA 61 HA ALA 61 -9.261 -7.424 1.096 26 1HB ALA 61 1HB ALA 61 -9.004 -10.201 2.410 27 2HB ALA 61 3HB ALA 61 -10.187 -9.773 1.117 28 3HB ALA 61 2HB ALA 61 -10.314 -9.006 2.745 29 H ARG 62 H ARG 62 -6.349 -8.983 2.160 30 HA ARG 62 HA ARG 62 -6.241 -7.764 4.737 31 1HB ARG 62 1HB ARG 62 -3.690 -8.292 4.382 32 2HB ARG 62 2HB ARG 62 -4.824 -9.673 4.585 33 1HG ARG 62 1HG ARG 62 -4.827 -10.157 2.198 34 2HG ARG 62 2HG ARG 62 -3.927 -8.656 1.817 35 1HD ARG 62 1HD ARG 62 -2.367 -10.543 1.722 36 2HD ARG 62 2HD ARG 62 -1.951 -9.546 3.177 37 HE ARG 62 HE ARG 62 -3.787 -11.556 4.027 38 1HH1 ARG 62 1HH1 ARG 62 -2.947 -13.545 4.970 39 2HH1 ARG 62 2HH1 ARG 62 -1.321 -14.045 4.645 40 1HH2 ARG 62 1HH2 ARG 62 -0.551 -11.271 2.550 41 2HH2 ARG 62 2HH2 ARG 62 0.060 -12.733 3.248 42 H ILE 63 H ILE 63 -5.627 -6.967 1.392 43 HA ILE 63 HA ILE 63 -3.935 -4.765 2.108 44 HB ILE 63 HB ILE 63 -4.120 -6.635 0.068 45 1HG1 ILE 63 1HG1 ILE 63 -2.411 -4.223 0.785 46 2HG1 ILE 63 2HG1 ILE 63 -2.114 -5.998 0.961 47 1HG2 ILE 63 1HG2 ILE 63 -5.697 -5.089 -1.218 48 2HG2 ILE 63 2HG2 ILE 63 -4.318 -3.904 -1.278 49 3HG2 ILE 63 3HG2 ILE 63 -4.166 -5.554 -2.035 50 1HD1 ILE 63 1HD1 ILE 63 -2.278 -5.985 -1.684 51 2HD1 ILE 63 2HD1 ILE 63 -1.903 -4.239 -1.541 52 3HD1 ILE 63 3HD1 ILE 63 -0.736 -5.477 -0.912 53 H ASN 64 H ASN 64 -7.242 -5.468 1.514 54 HA ASN 64 HA ASN 64 -7.869 -2.751 0.757 55 1HB ASN 64 1HB ASN 64 -9.271 -5.341 0.786 56 2HB ASN 64 2HB ASN 64 -10.197 -4.099 1.705 57 1HD2 ASN 64 2HD2 ASN 64 -10.460 -1.917 0.605 58 2HD2 ASN 64 1HD2 ASN 64 -10.656 -1.864 -1.115 59 H ALA 65 H ALA 65 -7.211 -4.700 3.492 60 HA ALA 65 HA ALA 65 -8.989 -3.254 5.263 61 1HB ALA 65 2HB ALA 65 -7.962 -4.665 7.083 62 2HB ALA 65 3HB ALA 65 -8.591 -5.690 5.742 63 3HB ALA 65 1HB ALA 65 -6.821 -5.359 5.874 64 H ALA 66 H ALA 66 -5.742 -3.105 4.021 65 HA ALA 66 HA ALA 66 -4.702 -1.751 6.319 66 1HB ALA 66 2HB ALA 66 -3.571 -1.989 3.461 67 2HB ALA 66 3HB ALA 66 -2.669 -1.443 4.929 68 3HB ALA 66 1HB ALA 66 -3.229 -3.151 4.796 69 H VAL 67 H VAL 67 -6.255 -0.985 3.222 70 HA VAL 67 HA VAL 67 -5.090 1.641 3.236 71 HB VAL 67 HB VAL 67 -6.059 1.863 0.994 72 1HG1 VAL 67 1HG1 VAL 67 -4.453 -0.704 1.512 73 2HG1 VAL 67 2HG1 VAL 67 -4.671 0.117 -0.079 74 3HG1 VAL 67 3HG1 VAL 67 -3.810 0.961 1.268 75 1HG2 VAL 67 1HG2 VAL 67 -7.198 -0.931 1.576 76 2HG2 VAL 67 2HG2 VAL 67 -8.153 0.564 1.260 77 3HG2 VAL 67 3HG2 VAL 67 -7.150 -0.159 -0.044 78 H ARG 68 H ARG 68 -7.887 0.290 4.586 79 HA ARG 68 HA ARG 68 -9.644 2.396 3.715 80 1HB ARG 68 1HB ARG 68 -11.373 1.157 5.070 81 2HB ARG 68 2HB ARG 68 -10.586 0.172 3.800 82 1HG ARG 68 1HG ARG 68 -9.090 -0.877 5.427 83 2HG ARG 68 2HG ARG 68 -9.772 0.096 6.776 84 1HD ARG 68 1HD ARG 68 -11.437 -1.856 5.051 85 2HD ARG 68 2HD ARG 68 -10.660 -2.269 6.643 86 HE ARG 68 HE ARG 68 -12.252 0.166 6.852 87 1HH1 ARG 68 1HH1 ARG 68 -14.195 -0.006 8.159 88 2HH1 ARG 68 2HH1 ARG 68 -14.883 -1.559 8.494 89 1HH2 ARG 68 1HH2 ARG 68 -12.437 -3.397 6.678 90 2HH2 ARG 68 2HH2 ARG 68 -13.872 -3.510 7.641 91 H ALA 69 H ALA 69 -7.362 3.284 5.287 92 HA ALA 69 HA ALA 69 -8.734 4.231 7.709 93 1HB ALA 69 1HB ALA 69 -5.726 4.084 7.013 94 2HB ALA 69 2HB ALA 69 -6.411 4.794 8.523 95 3HB ALA 69 3HB ALA 69 -6.564 3.023 8.207 96 H TYR 70 H TYR 70 -6.904 4.864 4.735 97 HA TYR 70 HA TYR 70 -6.507 7.595 5.395 98 1HB TYR 70 1HB TYR 70 -6.062 6.170 2.702 99 2HB TYR 70 2HB TYR 70 -5.271 7.707 3.258 100 HD1 TYR 70 HD1 TYR 70 -3.980 7.459 5.561 101 HD2 TYR 70 HD2 TYR 70 -5.008 4.206 3.008 102 HE1 TYR 70 HE1 TYR 70 -2.224 6.084 6.595 103 HE2 TYR 70 HE2 TYR 70 -3.237 2.841 4.024 104 HH TYR 70 HH TYR 70 -1.168 4.125 6.616 105 H GLY 71 H GLY 71 -8.559 5.690 3.138 106 1HA GLY 71 2HA GLY 71 -9.625 8.210 2.087 107 2HA GLY 71 1HA GLY 71 -10.687 6.842 2.643 108 H LEU 72 H LEU 72 -7.774 5.582 1.558 109 HA LEU 72 HA LEU 72 -8.315 5.412 -1.242 110 1HB LEU 72 1HB LEU 72 -6.803 3.599 0.681 111 2HB LEU 72 2HB LEU 72 -6.673 3.494 -1.110 112 HG LEU 72 HG LEU 72 -5.787 5.876 0.634 113 1HD1 LEU 72 1HD1 LEU 72 -4.580 3.604 0.957 114 2HD1 LEU 72 2HD1 LEU 72 -3.988 3.801 -0.728 115 3HD1 LEU 72 3HD1 LEU 72 -3.558 5.014 0.542 116 1HD2 LEU 72 1HD2 LEU 72 -5.345 5.227 -2.341 117 2HD2 LEU 72 2HD2 LEU 72 -6.390 6.533 -1.688 118 3HD2 LEU 72 3HD2 LEU 72 -4.600 6.624 -1.459 119 H ASN 73 H ASN 73 -8.963 3.618 -2.328 120 HA ASN 73 HA ASN 73 -10.553 1.810 -0.744 121 1HB ASN 73 1HB ASN 73 -12.364 1.800 -2.444 122 2HB ASN 73 2HB ASN 73 -12.105 3.479 -1.844 123 1HD2 ASN 73 2HD2 ASN 73 -12.873 1.845 -4.514 124 2HD2 ASN 73 1HD2 ASN 73 -12.107 2.773 -5.760 125 H TYR 74 H TYR 74 -7.842 1.690 -1.772 126 HA TYR 74 HA TYR 74 -6.520 0.138 -2.467 127 1HB TYR 74 1HB TYR 74 -7.701 -1.798 -1.866 128 2HB TYR 74 2HB TYR 74 -9.003 -1.523 -3.071 129 HD1 TYR 74 HD1 TYR 74 -8.870 -2.156 -5.275 130 HD2 TYR 74 HD2 TYR 74 -5.533 -2.697 -2.682 131 HE1 TYR 74 HE1 TYR 74 -7.823 -3.631 -6.935 132 HE2 TYR 74 HE2 TYR 74 -4.490 -4.186 -4.330 133 HH TYR 74 HH TYR 74 -6.103 -4.891 -7.454 134 H SER 75 H SER 75 -8.857 1.638 -4.567 135 HA SER 75 HA SER 75 -7.639 0.676 -6.961 136 1HB SER 75 1HB SER 75 -10.111 1.255 -6.869 137 2HB SER 75 2HB SER 75 -9.661 2.966 -6.511 138 HG SER 75 HG SER 75 -10.085 2.610 -8.696 139 H THR 76 H THR 76 -7.643 3.628 -4.971 140 HA THR 76 HA THR 76 -6.092 5.012 -6.942 141 HB THR 76 HB THR 76 -6.026 6.722 -4.950 142 HG1 THR 76 HG1 THR 76 -7.611 6.332 -3.478 143 1HG2 THR 76 1HG2 THR 76 -7.399 6.929 -7.068 144 2HG2 THR 76 2HG2 THR 76 -8.661 5.856 -6.353 145 3HG2 THR 76 3HG2 THR 76 -8.340 7.476 -5.628 146 H PHE 77 H PHE 77 -5.653 3.025 -4.125 147 HA PHE 77 HA PHE 77 -3.085 3.847 -3.399 148 1HB PHE 77 1HB PHE 77 -4.620 2.170 -2.132 149 2HB PHE 77 2HB PHE 77 -4.270 0.977 -3.417 150 HD1 PHE 77 HD1 PHE 77 -3.141 -0.647 -2.418 151 HD2 PHE 77 HD2 PHE 77 -1.868 3.363 -1.670 152 HE1 PHE 77 HE1 PHE 77 -1.238 -1.482 -1.144 153 HE2 PHE 77 HE2 PHE 77 0.048 2.519 -0.418 154 HZ PHE 77 HZ PHE 77 0.374 0.096 -0.131 155 H ILE 78 H ILE 78 -4.482 1.468 -5.605 156 HA ILE 78 HA ILE 78 -2.208 0.294 -6.500 157 HB ILE 78 HB ILE 78 -5.010 0.296 -7.051 158 1HG1 ILE 78 1HG1 ILE 78 -3.659 -1.592 -6.193 159 2HG1 ILE 78 2HG1 ILE 78 -4.678 -1.947 -7.632 160 1HG2 ILE 78 1HG2 ILE 78 -3.385 0.137 -9.669 161 2HG2 ILE 78 2HG2 ILE 78 -5.072 -0.432 -9.416 162 3HG2 ILE 78 3HG2 ILE 78 -4.709 1.304 -9.249 163 1HD1 ILE 78 1HD1 ILE 78 -2.650 -1.946 -9.107 164 2HD1 ILE 78 2HD1 ILE 78 -1.613 -1.499 -7.704 165 3HD1 ILE 78 3HD1 ILE 78 -2.435 -3.098 -7.742 166 H ASN 79 H ASN 79 -3.971 3.105 -7.772 167 HA ASN 79 HA ASN 79 -2.494 3.231 -10.112 168 1HB ASN 79 1HB ASN 79 -3.343 5.244 -10.677 169 2HB ASN 79 2HB ASN 79 -4.698 4.535 -9.702 170 1HD2 ASN 79 2HD2 ASN 79 -2.329 7.083 -10.242 171 2HD2 ASN 79 1HD2 ASN 79 -2.893 8.201 -9.045 172 H GLY 80 H GLY 80 -2.238 4.976 -7.193 173 1HA GLY 80 2HA GLY 80 -0.578 6.233 -6.224 174 2HA GLY 80 1HA GLY 80 -0.022 6.507 -7.905 175 H LEU 81 H LEU 81 -0.091 3.176 -6.740 176 HA LEU 81 HA LEU 81 2.609 3.101 -5.909 177 1HB LEU 81 1HB LEU 81 1.533 0.856 -7.651 178 2HB LEU 81 2HB LEU 81 2.787 0.775 -6.396 179 HG LEU 81 HG LEU 81 -0.179 1.187 -5.883 180 1HD1 LEU 81 1HD1 LEU 81 0.416 -1.053 -6.837 181 2HD1 LEU 81 2HD1 LEU 81 1.561 -1.313 -5.468 182 3HD1 LEU 81 3HD1 LEU 81 -0.216 -1.153 -5.152 183 1HD2 LEU 81 1HD2 LEU 81 2.131 0.704 -3.892 184 2HD2 LEU 81 2HD2 LEU 81 1.142 2.207 -4.045 185 3HD2 LEU 81 3HD2 LEU 81 0.375 0.678 -3.479 186 H LYS 82 H LYS 82 1.021 2.963 -9.115 187 HA LYS 82 HA LYS 82 3.355 2.108 -10.448 188 1HB LYS 82 1HB LYS 82 0.844 1.861 -11.147 189 2HB LYS 82 2HB LYS 82 0.948 3.573 -11.671 190 1HG LYS 82 1HG LYS 82 2.819 2.951 -13.244 191 2HG LYS 82 2HG LYS 82 2.673 1.236 -12.720 192 1HD LYS 82 1HD LYS 82 0.468 2.905 -14.097 193 2HD LYS 82 2HD LYS 82 1.553 1.721 -14.909 194 1HE LYS 82 1HE LYS 82 0.592 -0.134 -13.492 195 2HE LYS 82 2HE LYS 82 -0.548 1.055 -12.736 196 1HZ LYS 82 1HZ LYS 82 -1.358 1.545 -14.981 197 2HZ LYS 82 2HZ LYS 82 -0.376 0.310 -15.604 198 3HZ LYS 82 3HZ LYS 82 -1.611 -0.064 -14.502 199 H LYS 83 H LYS 83 1.868 5.138 -9.507 200 HA LYS 83 HA LYS 83 3.300 6.769 -11.290 201 1HB LYS 83 1HB LYS 83 1.066 7.207 -10.020 202 2HB LYS 83 2HB LYS 83 2.072 7.582 -8.590 203 1HG LYS 83 1HG LYS 83 3.150 9.461 -9.860 204 2HG LYS 83 2HG LYS 83 2.313 8.937 -11.366 205 1HD LYS 83 1HD LYS 83 0.085 9.341 -10.230 206 2HD LYS 83 2HD LYS 83 0.972 10.026 -8.830 207 1HE LYS 83 1HE LYS 83 1.019 11.109 -11.733 208 2HE LYS 83 2HE LYS 83 0.138 11.844 -10.328 209 1HZ LYS 83 1HZ LYS 83 3.079 11.464 -10.540 210 2HZ LYS 83 2HZ LYS 83 2.234 12.918 -10.782 211 3HZ LYS 83 3HZ LYS 83 2.247 12.187 -9.249 212 H ALA 84 H ALA 84 3.830 5.327 -8.127 213 HA ALA 84 HA ALA 84 6.019 6.989 -7.411 214 1HB ALA 84 3HB ALA 84 4.676 5.888 -5.637 215 2HB ALA 84 1HB ALA 84 5.074 4.272 -6.308 216 3HB ALA 84 2HB ALA 84 6.375 5.291 -5.579 217 H GLY 85 H GLY 85 5.624 3.609 -8.594 218 1HA GLY 85 2HA GLY 85 8.421 3.699 -9.459 219 2HA GLY 85 1HA GLY 85 7.061 2.820 -10.277 220 H ILE 86 H ILE 86 5.772 1.989 -7.856 221 HA ILE 86 HA ILE 86 7.679 0.215 -6.599 222 HB ILE 86 HB ILE 86 4.903 1.299 -5.896 223 1HG1 ILE 86 1HG1 ILE 86 7.630 1.599 -4.488 224 2HG1 ILE 86 2HG1 ILE 86 6.867 2.830 -5.548 225 1HG2 ILE 86 1HG2 ILE 86 6.575 -0.900 -4.512 226 2HG2 ILE 86 2HG2 ILE 86 5.185 -0.055 -3.733 227 3HG2 ILE 86 3HG2 ILE 86 4.903 -1.023 -5.200 228 1HD1 ILE 86 1HD1 ILE 86 4.836 2.814 -3.980 229 2HD1 ILE 86 2HD1 ILE 86 5.824 1.827 -2.836 230 3HD1 ILE 86 3HD1 ILE 86 6.353 3.488 -3.284 231 H GLU 87 H GLU 87 4.373 0.566 -7.914 232 HA GLU 87 HA GLU 87 2.863 -0.993 -8.196 233 1HB GLU 87 1HB GLU 87 3.400 -0.002 -10.399 234 2HB GLU 87 2HB GLU 87 4.548 -1.343 -10.720 235 1HG GLU 87 1HG GLU 87 2.313 -1.630 -11.866 236 2HG GLU 87 2HG GLU 87 2.671 -2.983 -10.733 237 H LEU 88 H LEU 88 3.163 -2.373 -6.507 238 HA LEU 88 HA LEU 88 4.627 -4.812 -7.173 239 1HB LEU 88 1HB LEU 88 5.670 -2.919 -5.711 240 2HB LEU 88 2HB LEU 88 4.470 -3.355 -4.468 241 HG LEU 88 HG LEU 88 5.473 -5.731 -4.483 242 1HD1 LEU 88 1HD1 LEU 88 7.650 -4.405 -6.227 243 2HD1 LEU 88 2HD1 LEU 88 7.766 -6.026 -5.444 244 3HD1 LEU 88 3HD1 LEU 88 6.542 -5.738 -6.732 245 1HD2 LEU 88 1HD2 LEU 88 6.054 -4.052 -2.749 246 2HD2 LEU 88 2HD2 LEU 88 7.487 -5.072 -3.153 247 3HD2 LEU 88 3HD2 LEU 88 7.365 -3.390 -3.798 248 H ASP 89 H ASP 89 3.665 -5.385 -4.193 249 HA ASP 89 HA ASP 89 1.960 -6.166 -3.065 250 1HB ASP 89 1HB ASP 89 -0.102 -5.067 -5.032 251 2HB ASP 89 2HB ASP 89 -0.290 -5.520 -3.318 252 H ARG 90 H ARG 90 2.319 -8.385 -3.379 253 HA ARG 90 HA ARG 90 -0.014 -9.336 -4.508 254 1HB ARG 90 1HB ARG 90 1.592 -9.360 -6.619 255 2HB ARG 90 2HB ARG 90 2.593 -10.554 -5.744 256 1HG ARG 90 1HG ARG 90 0.494 -12.076 -5.681 257 2HG ARG 90 2HG ARG 90 -0.333 -10.820 -6.664 258 1HD ARG 90 1HD ARG 90 1.426 -11.137 -8.486 259 2HD ARG 90 2HD ARG 90 2.118 -12.492 -7.504 260 HE ARG 90 HE ARG 90 0.178 -13.802 -7.941 261 1HH1 ARG 90 1HH1 ARG 90 -1.710 -14.294 -9.229 262 2HH1 ARG 90 2HH1 ARG 90 -2.455 -13.058 -10.189 263 1HH2 ARG 90 1HH2 ARG 90 -0.183 -10.494 -9.256 264 2HH2 ARG 90 2HH2 ARG 90 -1.583 -10.882 -10.205 265 H LYS 91 H LYS 91 0.479 -9.307 -2.095 266 HA LYS 91 HA LYS 91 0.796 -10.156 -0.203 267 1HB LYS 91 1HB LYS 91 1.436 -12.919 -1.501 268 2HB LYS 91 2HB LYS 91 1.329 -12.599 0.260 269 1HG LYS 91 1HG LYS 91 -0.649 -13.699 -0.265 270 2HG LYS 91 2HG LYS 91 -1.113 -11.985 -0.051 271 1HD LYS 91 1HD LYS 91 -1.096 -11.769 -2.626 272 2HD LYS 91 2HD LYS 91 -0.745 -13.529 -2.709 273 1HE LYS 91 1HE LYS 91 -3.276 -12.200 -1.497 274 2HE LYS 91 2HE LYS 91 -3.168 -13.066 -3.080 275 1HZ LYS 91 1HZ LYS 91 -2.670 -14.249 -0.396 276 2HZ LYS 91 2HZ LYS 91 -4.066 -14.441 -1.345 277 3HZ LYS 91 3HZ LYS 91 -2.581 -15.064 -1.883 278 H ILE 92 H ILE 92 2.363 -8.633 -0.496 279 HA ILE 92 HA ILE 92 5.078 -9.632 -0.300 280 HB ILE 92 HB ILE 92 3.789 -7.970 -2.528 281 1HG1 ILE 92 1HG1 ILE 92 4.174 -10.365 -3.030 282 2HG1 ILE 92 2HG1 ILE 92 5.092 -9.274 -4.091 283 1HG2 ILE 92 1HG2 ILE 92 6.730 -7.833 -1.518 284 2HG2 ILE 92 2HG2 ILE 92 6.251 -7.324 -3.174 285 3HG2 ILE 92 3HG2 ILE 92 5.582 -6.456 -1.756 286 1HD1 ILE 92 1HD1 ILE 92 6.258 -10.845 -1.684 287 2HD1 ILE 92 2HD1 ILE 92 6.442 -11.269 -3.421 288 3HD1 ILE 92 3HD1 ILE 92 7.199 -9.768 -2.782 289 H LEU 93 H LEU 93 2.832 -6.932 -0.845 290 HA LEU 93 HA LEU 93 4.365 -5.280 1.014 291 1HB LEU 93 1HB LEU 93 3.830 -4.318 -1.071 292 2HB LEU 93 2HB LEU 93 2.262 -5.135 -1.012 293 HG LEU 93 HG LEU 93 2.470 -3.119 1.157 294 1HD1 LEU 93 1HD1 LEU 93 3.910 -1.979 -0.443 295 2HD1 LEU 93 2HD1 LEU 93 2.601 -1.997 -1.673 296 3HD1 LEU 93 3HD1 LEU 93 2.365 -1.100 -0.128 297 1HD2 LEU 93 1HD2 LEU 93 0.443 -3.558 -1.112 298 2HD2 LEU 93 2HD2 LEU 93 0.294 -4.114 0.589 299 3HD2 LEU 93 3HD2 LEU 93 0.263 -2.354 0.207 300 H ALA 94 H ALA 94 1.439 -6.776 0.149 301 HA ALA 94 HA ALA 94 -0.326 -6.243 2.163 302 1HB ALA 94 1HB ALA 94 -0.154 -8.072 0.070 303 2HB ALA 94 2HB ALA 94 0.112 -9.143 1.547 304 3HB ALA 94 3HB ALA 94 -1.409 -8.185 1.390 305 H ASP 95 H ASP 95 2.584 -8.355 2.098 306 HA ASP 95 HA ASP 95 2.156 -9.420 4.621 307 1HB ASP 95 1HB ASP 95 4.895 -8.724 3.586 308 2HB ASP 95 2HB ASP 95 4.446 -10.010 4.679 309 H MET 96 H MET 96 4.097 -6.651 3.431 310 HA MET 96 HA MET 96 4.904 -6.089 6.031 311 1HB MET 96 1HB MET 96 6.461 -5.161 4.690 312 2HB MET 96 2HB MET 96 5.295 -5.089 3.339 313 1HG MET 96 1HG MET 96 4.351 -2.950 4.219 314 2HG MET 96 2HG MET 96 5.664 -2.962 5.434 315 1HE MET 96 1HE MET 96 4.575 -3.310 1.961 316 2HE MET 96 2HE MET 96 4.536 -1.546 2.291 317 3HE MET 96 3HE MET 96 5.599 -2.201 0.989 318 H ALA 97 H ALA 97 1.871 -5.315 4.529 319 HA ALA 97 HA ALA 97 1.151 -3.037 5.945 320 1HB ALA 97 1HB ALA 97 -0.262 -4.004 4.098 321 2HB ALA 97 2HB ALA 97 -0.595 -5.439 5.134 322 3HB ALA 97 3HB ALA 97 -1.207 -3.817 5.625 323 H VAL 98 H VAL 98 1.110 -6.497 6.815 324 HA VAL 98 HA VAL 98 -0.142 -5.850 9.335 325 HB VAL 98 HB VAL 98 0.898 -8.613 8.663 326 1HG1 VAL 98 1HG1 VAL 98 -1.550 -7.486 10.175 327 2HG1 VAL 98 2HG1 VAL 98 -1.100 -9.227 10.037 328 3HG1 VAL 98 3HG1 VAL 98 -0.027 -8.088 10.929 329 1HG2 VAL 98 1HG2 VAL 98 -1.599 -7.309 7.428 330 2HG2 VAL 98 2HG2 VAL 98 -0.168 -8.028 6.574 331 3HG2 VAL 98 3HG2 VAL 98 -1.279 -9.083 7.500 332 H ARG 99 H ARG 99 2.820 -7.632 8.132 333 HA ARG 99 HA ARG 99 3.653 -7.761 10.783 334 1HB ARG 99 1HB ARG 99 5.684 -8.887 9.493 335 2HB ARG 99 2HB ARG 99 4.169 -9.743 9.952 336 1HG ARG 99 1HG ARG 99 4.649 -8.559 7.154 337 2HG ARG 99 2HG ARG 99 5.248 -10.162 7.661 338 1HD ARG 99 1HD ARG 99 2.259 -9.458 7.286 339 2HD ARG 99 2HD ARG 99 3.267 -10.612 6.404 340 HE ARG 99 HE ARG 99 3.439 -11.429 9.110 341 1HH1 ARG 99 1HH1 ARG 99 1.975 -13.101 9.902 342 2HH1 ARG 99 2HH1 ARG 99 0.463 -13.377 9.106 343 1HH2 ARG 99 1HH2 ARG 99 0.929 -10.856 6.640 344 2HH2 ARG 99 2HH2 ARG 99 -0.141 -12.086 7.229 345 H ASP 100 H ASP 100 4.582 -5.612 8.139 346 HA ASP 100 HA ASP 100 6.682 -4.616 9.898 347 1HB ASP 100 1HB ASP 100 7.371 -5.735 7.618 348 2HB ASP 100 2HB ASP 100 6.727 -4.326 6.832 349 HA PRO 101 HA PRO 101 3.367 -1.723 8.609 350 1HB PRO 101 1HB PRO 101 2.677 -0.587 11.096 351 2HB PRO 101 2HB PRO 101 2.005 -2.153 10.476 352 1HG PRO 101 1HG PRO 101 4.352 -1.730 12.392 353 2HG PRO 101 2HG PRO 101 2.989 -2.921 12.530 354 1HD PRO 101 1HD PRO 101 5.502 -3.590 11.481 355 2HD PRO 101 2HD PRO 101 3.999 -4.331 10.761 356 H GLN 102 H GLN 102 6.401 -1.224 10.176 357 HA GLN 102 HA GLN 102 6.374 1.602 10.222 358 1HB GLN 102 1HB GLN 102 8.714 -0.367 9.862 359 2HB GLN 102 2HB GLN 102 8.865 1.377 10.289 360 1HG GLN 102 1HG GLN 102 7.673 0.934 12.464 361 2HG GLN 102 2HG GLN 102 7.534 -0.816 12.027 362 1HE2 GLN 102 2HE2 GLN 102 8.812 -0.409 14.317 363 2HE2 GLN 102 1HE2 GLN 102 10.530 -0.576 14.175 364 H ALA 103 H ALA 103 7.214 -0.992 7.847 365 HA ALA 103 HA ALA 103 8.338 0.965 6.074 366 1HB ALA 103 1HB ALA 103 7.910 -2.066 5.781 367 2HB ALA 103 3HB ALA 103 9.452 -1.272 6.269 368 3HB ALA 103 2HB ALA 103 8.798 -1.018 4.608 369 H PHE 104 H PHE 104 5.422 -1.139 6.507 370 HA PHE 104 HA PHE 104 4.149 -0.428 4.223 371 1HB PHE 104 1HB PHE 104 3.041 -1.733 6.150 372 2HB PHE 104 2HB PHE 104 2.649 -0.129 6.891 373 HD1 PHE 104 HD1 PHE 104 0.661 0.935 6.172 374 HD2 PHE 104 HD2 PHE 104 2.419 -2.051 3.690 375 HE1 PHE 104 HE1 PHE 104 -1.311 0.985 4.704 376 HE2 PHE 104 HE2 PHE 104 0.438 -2.031 2.275 377 HZ PHE 104 HZ PHE 104 -1.435 -0.534 2.736 378 H GLU 105 H GLU 105 4.378 1.716 7.174 379 HA GLU 105 HA GLU 105 2.814 3.687 5.936 380 1HB GLU 105 1HB GLU 105 4.862 3.927 8.210 381 2HB GLU 105 2HB GLU 105 3.846 5.292 7.635 382 1HG GLU 105 1HG GLU 105 2.785 2.691 8.913 383 2HG GLU 105 2HG GLU 105 2.867 4.325 9.671 384 H GLN 106 H GLN 106 6.246 2.894 5.597 385 HA GLN 106 HA GLN 106 6.967 5.483 4.686 386 1HB GLN 106 1HB GLN 106 8.189 2.685 4.421 387 2HB GLN 106 2HB GLN 106 8.828 4.047 3.475 388 1HG GLN 106 1HG GLN 106 8.644 3.927 6.571 389 2HG GLN 106 2HG GLN 106 10.140 3.664 5.593 390 1HE2 GLN 106 2HE2 GLN 106 10.519 5.509 3.870 391 2HE2 GLN 106 1HE2 GLN 106 10.359 7.131 4.455 392 H VAL 107 H VAL 107 5.609 2.583 3.203 393 HA VAL 107 HA VAL 107 6.167 3.408 0.529 394 HB VAL 107 HB VAL 107 4.296 1.331 1.750 395 1HG1 VAL 107 1HG1 VAL 107 4.511 2.239 -1.191 396 2HG1 VAL 107 2HG1 VAL 107 3.904 0.618 -0.700 397 3HG1 VAL 107 3HG1 VAL 107 3.016 2.090 -0.188 398 1HG2 VAL 107 1HG2 VAL 107 6.822 1.294 -0.037 399 2HG2 VAL 107 2HG2 VAL 107 6.722 0.811 1.701 400 3HG2 VAL 107 3HG2 VAL 107 5.883 -0.164 0.434 401 H VAL 108 H VAL 108 3.521 3.722 2.864 402 HA VAL 108 HA VAL 108 1.679 4.871 1.105 403 HB VAL 108 HB VAL 108 2.101 4.930 4.127 404 1HG1 VAL 108 1HG1 VAL 108 -0.179 6.202 2.488 405 2HG1 VAL 108 2HG1 VAL 108 -0.255 5.844 4.259 406 3HG1 VAL 108 3HG1 VAL 108 0.945 7.031 3.648 407 1HG2 VAL 108 1HG2 VAL 108 1.468 2.761 2.974 408 2HG2 VAL 108 2HG2 VAL 108 0.185 3.357 4.080 409 3HG2 VAL 108 3HG2 VAL 108 0.010 3.571 2.297 410 H ASN 109 H ASN 109 4.270 6.271 3.180 411 HA ASN 109 HA ASN 109 3.488 8.926 2.697 412 1HB ASN 109 1HB ASN 109 6.308 7.816 3.288 413 2HB ASN 109 2HB ASN 109 5.865 9.563 3.317 414 1HD2 ASN 109 2HD2 ASN 109 3.247 9.312 4.549 415 2HD2 ASN 109 1HD2 ASN 109 3.477 8.839 6.200 416 H LYS 110 H LYS 110 5.595 6.652 0.944 417 HA LYS 110 HA LYS 110 6.802 8.589 -0.669 418 1HB LYS 110 1HB LYS 110 7.784 6.335 -0.252 419 2HB LYS 110 2HB LYS 110 6.387 5.570 -1.083 420 1HG LYS 110 1HG LYS 110 7.067 6.591 -3.240 421 2HG LYS 110 2HG LYS 110 8.410 7.473 -2.426 422 1HD LYS 110 1HD LYS 110 9.518 5.334 -1.871 423 2HD LYS 110 2HD LYS 110 8.113 4.407 -2.502 424 1HE LYS 110 1HE LYS 110 8.536 5.327 -4.812 425 2HE LYS 110 2HE LYS 110 9.992 6.200 -4.181 426 1HZ LYS 110 1HZ LYS 110 9.536 3.264 -4.098 427 2HZ LYS 110 2HZ LYS 110 10.538 4.096 -5.186 428 3HZ LYS 110 3HZ LYS 110 10.910 4.082 -3.529 429 H VAL 111 H VAL 111 3.792 6.711 -0.911 430 HA VAL 111 HA VAL 111 3.403 7.481 -3.688 431 HB VAL 111 HB VAL 111 1.930 5.768 -1.559 432 1HG1 VAL 111 1HG1 VAL 111 1.010 6.352 -4.449 433 2HG1 VAL 111 2HG1 VAL 111 0.370 5.011 -3.431 434 3HG1 VAL 111 3HG1 VAL 111 0.113 6.715 -2.929 435 1HG2 VAL 111 1HG2 VAL 111 4.012 4.775 -2.621 436 2HG2 VAL 111 2HG2 VAL 111 2.521 3.853 -3.038 437 3HG2 VAL 111 3HG2 VAL 111 3.250 4.975 -4.241 438 H LYS 112 H LYS 112 2.561 8.715 -0.559 439 HA LYS 112 HA LYS 112 0.357 10.106 -1.858 440 1HB LYS 112 1HB LYS 112 1.459 9.948 0.964 441 2HB LYS 112 2HB LYS 112 0.413 11.334 0.500 442 1HG LYS 112 1HG LYS 112 -0.644 9.146 1.600 443 2HG LYS 112 2HG LYS 112 -1.506 10.065 0.320 444 1HD LYS 112 1HD LYS 112 -0.824 8.471 -1.418 445 2HD LYS 112 2HD LYS 112 0.181 7.557 -0.251 446 1HE LYS 112 1HE LYS 112 -1.878 6.845 0.970 447 2HE LYS 112 2HE LYS 112 -2.890 7.810 -0.193 448 1HZ LYS 112 1HZ LYS 112 -1.927 6.536 -1.990 449 2HZ LYS 112 2HZ LYS 112 -0.997 5.625 -0.900 450 3HZ LYS 112 3HZ LYS 112 -2.692 5.522 -0.863 451 H GLU 113 H GLU 113 3.698 10.278 -1.706 452 HA GLU 113 HA GLU 113 3.688 13.180 -1.965 453 1HB GLU 113 1HB GLU 113 5.251 11.916 -0.528 454 2HB GLU 113 2HB GLU 113 5.866 10.994 -1.917 455 1HG GLU 113 1HG GLU 113 6.784 12.986 -3.009 456 2HG GLU 113 2HG GLU 113 6.123 14.057 -1.716 457 H ALA 114 H ALA 114 4.141 10.112 -3.477 458 HA ALA 114 HA ALA 114 5.318 11.137 -5.904 459 1HB ALA 114 1HB ALA 114 3.864 8.449 -5.514 460 2HB ALA 114 3HB ALA 114 5.650 8.696 -5.370 461 3HB ALA 114 2HB ALA 114 4.829 8.918 -6.958 462 H LEU 115 H LEU 115 2.180 10.567 -4.618 463 HA LEU 115 HA LEU 115 0.677 11.004 -7.092 464 1HB LEU 115 1HB LEU 115 -0.179 9.363 -5.447 465 2HB LEU 115 2HB LEU 115 -0.205 10.683 -4.216 466 HG LEU 115 HG LEU 115 -1.694 11.969 -5.605 467 1HD1 LEU 115 1HD1 LEU 115 -1.850 9.505 -7.469 468 2HD1 LEU 115 2HD1 LEU 115 -3.014 10.881 -7.510 469 3HD1 LEU 115 3HD1 LEU 115 -1.286 11.163 -7.909 470 1HD2 LEU 115 1HD2 LEU 115 -2.564 10.355 -3.822 471 2HD2 LEU 115 2HD2 LEU 115 -3.778 10.606 -5.136 472 3HD2 LEU 115 3HD2 LEU 115 -2.784 9.100 -5.093 473 H GLN 116 H GLN 116 1.944 12.426 -4.244 474 HA GLN 116 HA GLN 116 2.040 14.561 -3.506 475 1HB GLN 116 1HB GLN 116 1.209 15.521 -6.304 476 2HB GLN 116 2HB GLN 116 1.731 16.587 -4.968 477 1HG GLN 116 1HG GLN 116 3.576 14.473 -6.222 478 2HG GLN 116 2HG GLN 116 3.427 16.172 -6.798 479 1HE2 GLN 116 2HE2 GLN 116 5.879 15.583 -6.085 480 2HE2 GLN 116 1HE2 GLN 116 6.321 16.228 -4.540 481 H VAL 117 H VAL 117 -0.217 13.107 -2.949 482 HA VAL 117 HA VAL 117 -2.346 15.097 -3.110 483 HB VAL 117 HB VAL 117 -2.845 12.656 -3.542 484 1HG1 VAL 117 1HG1 VAL 117 -1.277 11.716 -1.812 485 2HG1 VAL 117 2HG1 VAL 117 -2.328 12.374 -0.498 486 3HG1 VAL 117 3HG1 VAL 117 -2.961 11.121 -1.614 487 1HG2 VAL 117 1HG2 VAL 117 -4.577 14.340 -2.931 488 2HG2 VAL 117 2HG2 VAL 117 -4.955 12.703 -2.280 489 3HG2 VAL 117 3HG2 VAL 117 -4.327 13.980 -1.179 490 H GLN 118 H GLN 118 0.461 14.151 -1.536 491 HA GLN 118 HA GLN 118 -0.107 14.474 1.109 492 1HB GLN 118 1HB GLN 118 2.174 15.164 1.561 493 2HB GLN 118 2HB GLN 118 2.121 13.754 0.449 494 1HG GLN 118 1HG GLN 118 2.630 15.225 -1.491 495 2HG GLN 118 2HG GLN 118 2.563 16.694 -0.445 496 1HE2 GLN 118 2HE2 GLN 118 4.783 17.068 -1.152 497 2HE2 GLN 118 1HE2 GLN 118 6.093 16.271 -0.347 No H/Q in entry = 497
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