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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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5048 |
1gb4 ![]() ![]() |
cing | recoord | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 -3.204 -15.556 7.220 2 2H MET 1 3HT MET 1 -3.091 -15.595 8.912 3 3H MET 1 2HT MET 1 -4.114 -14.468 8.156 4 HA MET 1 HA MET 1 -2.122 -13.342 8.892 5 1HB MET 1 2HB MET 1 -0.893 -15.574 8.855 6 2HB MET 1 1HB MET 1 -0.692 -15.341 7.118 7 1HG MET 1 2HG MET 1 0.780 -13.576 7.383 8 2HG MET 1 1HG MET 1 0.088 -13.096 8.933 9 1HE MET 1 2HE MET 1 2.314 -14.785 6.879 10 2HE MET 1 1HE MET 1 3.639 -14.306 7.937 11 3HE MET 1 3HE MET 1 3.221 -16.015 7.754 12 QB MET 1 QB MET 1 -0.793 -15.457 7.986 13 QG MET 1 QG MET 1 0.434 -13.336 8.158 14 QE MET 1 QE MET 1 3.058 -15.035 7.524 15 H THR 2 H THR 2 -3.254 -11.761 7.609 16 HA THR 2 HA THR 2 -2.697 -11.774 4.670 17 HB THR 2 HB THR 2 -4.632 -10.160 6.367 18 HG1 THR 2 1HG THR 2 -5.106 -12.371 4.660 19 1HG2 THR 2 3HG2 THR 2 -3.953 -10.237 3.470 20 2HG2 THR 2 2HG2 THR 2 -5.661 -10.110 3.885 21 3HG2 THR 2 1HG2 THR 2 -4.521 -8.890 4.456 22 QG2 THR 2 QG2 THR 2 -4.712 -9.746 3.937 23 H THR 3 H THR 3 -0.400 -11.081 5.318 24 HA THR 3 HA THR 3 -0.196 -8.239 6.191 25 HB THR 3 HB THR 3 1.893 -10.381 5.663 26 HG1 THR 3 1HG THR 3 0.688 -11.008 7.384 27 1HG2 THR 3 2HG2 THR 3 2.014 -7.532 6.430 28 2HG2 THR 3 1HG2 THR 3 2.962 -8.612 7.454 29 3HG2 THR 3 3HG2 THR 3 3.255 -8.564 5.717 30 QG2 THR 3 QG2 THR 3 2.744 -8.236 6.534 31 H PHE 4 H PHE 4 -0.600 -6.935 4.407 32 HA PHE 4 HA PHE 4 0.483 -7.652 1.747 33 1HB PHE 4 2HB PHE 4 -1.382 -5.611 2.930 34 2HB PHE 4 1HB PHE 4 -0.724 -5.350 1.313 35 HD1 PHE 4 1HD PHE 4 -0.848 -7.419 -0.312 36 HD2 PHE 4 2HD PHE 4 -3.307 -6.915 3.173 37 HE1 PHE 4 1HE PHE 4 -2.493 -9.021 -1.244 38 HE2 PHE 4 2HE PHE 4 -4.953 -8.516 2.236 39 1HZ PHE 4 HZ PHE 4 -4.546 -9.571 0.032 40 QB PHE 4 QB PHE 4 -1.053 -5.480 2.121 41 QG PHE 4 QD PHE 4 -2.078 -7.167 1.430 42 QZ PHE 4 QE PHE 4 -3.723 -8.769 0.496 43 QZ PHE 4 QR PHE 4 -3.230 -8.289 0.777 44 H LYS 5 H LYS 5 1.975 -6.280 0.619 45 HA LYS 5 HA LYS 5 3.628 -4.536 2.414 46 1HB LYS 5 2HB LYS 5 4.324 -6.071 -0.116 47 2HB LYS 5 1HB LYS 5 5.465 -5.153 0.866 48 1HG LYS 5 2HG LYS 5 4.617 -6.659 2.822 49 2HG LYS 5 1HG LYS 5 4.036 -7.715 1.536 50 1HD LYS 5 2HD LYS 5 6.525 -7.256 0.613 51 2HD LYS 5 1HD LYS 5 6.829 -7.077 2.342 52 1HE LYS 5 2HE LYS 5 5.751 -9.294 2.737 53 2HE LYS 5 1HE LYS 5 5.560 -9.481 0.983 54 1HZ LYS 5 2HZ LYS 5 8.151 -8.899 2.315 55 2HZ LYS 5 1HZ LYS 5 7.651 -10.462 1.872 56 3HZ LYS 5 3HZ LYS 5 7.902 -9.283 0.679 57 QB LYS 5 QB LYS 5 4.894 -5.612 0.375 58 QG LYS 5 QG LYS 5 4.327 -7.187 2.179 59 QD LYS 5 QD LYS 5 6.677 -7.166 1.477 60 QE LYS 5 QE LYS 5 5.655 -9.388 1.860 61 QZ LYS 5 QZ LYS 5 7.901 -9.548 1.622 62 H LEU 6 H LEU 6 5.037 -3.064 0.642 63 HA LEU 6 HA LEU 6 3.385 -1.969 -1.518 64 1HB LEU 6 2HB LEU 6 2.269 -1.057 0.459 65 2HB LEU 6 1HB LEU 6 3.806 -0.491 1.104 66 HG LEU 6 HG LEU 6 3.984 0.873 -1.108 67 1HD1 LEU 6 3HD1 LEU 6 1.082 0.044 -1.068 68 2HD1 LEU 6 2HD1 LEU 6 1.611 1.527 -1.863 69 3HD1 LEU 6 1HD1 LEU 6 2.225 -0.033 -2.410 70 1HD2 LEU 6 2HD2 LEU 6 3.259 1.552 1.376 71 2HD2 LEU 6 1HD2 LEU 6 3.198 2.707 0.046 72 3HD2 LEU 6 3HD2 LEU 6 1.728 1.883 0.565 73 QB LEU 6 QB LEU 6 3.038 -0.774 0.781 74 QD1 LEU 6 QD1 LEU 6 1.639 0.513 -1.781 75 QD2 LEU 6 QD2 LEU 6 2.728 2.048 0.663 76 QQD LEU 6 QQD LEU 6 2.184 1.280 -0.559 77 H ILE 7 H ILE 7 5.109 -1.853 -2.957 78 HA ILE 7 HA ILE 7 7.766 -0.924 -2.084 79 HB ILE 7 HB ILE 7 6.588 -1.618 -4.803 80 1HG1 ILE 7 2HG1 ILE 7 8.502 -3.325 -3.227 81 2HG1 ILE 7 1HG1 ILE 7 6.773 -3.401 -2.884 82 1HG2 ILE 7 1HG2 ILE 7 9.381 -0.989 -3.849 83 2HG2 ILE 7 3HG2 ILE 7 9.109 -1.975 -5.286 84 3HG2 ILE 7 2HG2 ILE 7 8.514 -0.314 -5.229 85 1HD1 ILE 7 1HD1 ILE 7 8.042 -3.830 -5.605 86 2HD1 ILE 7 3HD1 ILE 7 7.427 -5.105 -4.553 87 3HD1 ILE 7 2HD1 ILE 7 6.318 -3.923 -5.248 88 QG1 ILE 7 QG1 ILE 7 7.638 -3.363 -3.056 89 QG2 ILE 7 QG2 ILE 7 9.001 -1.093 -4.788 90 QD1 ILE 7 QD1 ILE 7 7.263 -4.286 -5.135 91 H ILE 8 H ILE 8 8.253 1.251 -2.070 92 HA ILE 8 HA ILE 8 6.313 3.110 -3.283 93 HB ILE 8 HB ILE 8 8.869 3.860 -1.863 94 1HG1 ILE 8 2HG1 ILE 8 7.485 2.135 -0.514 95 2HG1 ILE 8 1HG1 ILE 8 7.863 3.646 0.286 96 1HG2 ILE 8 2HG2 ILE 8 6.203 5.129 -2.447 97 2HG2 ILE 8 1HG2 ILE 8 7.206 5.724 -1.119 98 3HG2 ILE 8 3HG2 ILE 8 7.829 5.750 -2.770 99 1HD1 ILE 8 3HD1 ILE 8 5.366 3.887 -1.149 100 2HD1 ILE 8 2HD1 ILE 8 5.314 2.495 -0.076 101 3HD1 ILE 8 1HD1 ILE 8 5.678 4.096 0.572 102 QG1 ILE 8 QG1 ILE 8 7.674 2.890 -0.114 103 QG2 ILE 8 QG2 ILE 8 7.079 5.534 -2.112 104 QD1 ILE 8 QD1 ILE 8 5.453 3.493 -0.218 105 H ASN 9 H ASN 9 6.614 3.665 -5.409 106 HA ASN 9 HA ASN 9 9.376 3.608 -6.548 107 1HB ASN 9 2HB ASN 9 7.574 2.243 -7.571 108 2HB ASN 9 1HB ASN 9 6.626 3.707 -7.834 109 1HD2 ASN 9 2HD2 ASN 9 8.362 4.592 -10.769 110 2HD2 ASN 9 1HD2 ASN 9 7.077 4.922 -9.710 111 QB ASN 9 QB ASN 9 7.100 2.975 -7.702 112 QD2 ASN 9 QD2 ASN 9 7.720 4.757 -10.239 113 H GLY 10 H GLY 10 9.520 5.787 -5.200 114 1HA GLY 10 2HA GLY 10 9.348 7.973 -7.108 115 2HA GLY 10 1HA GLY 10 8.180 8.147 -5.798 116 QA GLY 10 QA GLY 10 8.764 8.060 -6.453 117 H LYS 11 H LYS 11 10.148 10.053 -6.038 118 HA LYS 11 HA LYS 11 12.582 9.597 -4.630 119 1HB LYS 11 2HB LYS 11 12.564 12.064 -4.393 120 2HB LYS 11 1HB LYS 11 12.067 11.578 -6.012 121 1HG LYS 11 2HG LYS 11 9.702 11.856 -5.386 122 2HG LYS 11 1HG LYS 11 10.179 12.304 -3.749 123 1HD LYS 11 2HD LYS 11 11.028 13.800 -6.246 124 2HD LYS 11 1HD LYS 11 9.691 14.284 -5.203 125 1HE LYS 11 2HE LYS 11 11.639 14.005 -3.334 126 2HE LYS 11 1HE LYS 11 12.615 14.501 -4.731 127 1HZ LYS 11 2HZ LYS 11 11.046 16.309 -5.129 128 2HZ LYS 11 1HZ LYS 11 10.161 15.860 -3.749 129 3HZ LYS 11 3HZ LYS 11 11.746 16.440 -3.586 130 QB LYS 11 QB LYS 11 12.315 11.821 -5.203 131 QG LYS 11 QG LYS 11 9.941 12.080 -4.568 132 QD LYS 11 QD LYS 11 10.360 14.042 -5.725 133 QE LYS 11 QE LYS 11 12.127 14.253 -4.032 134 QZ LYS 11 QZ LYS 11 10.984 16.203 -4.155 135 H THR 12 H THR 12 9.319 10.325 -3.470 136 HA THR 12 HA THR 12 10.149 10.694 -0.681 137 HB THR 12 HB THR 12 7.558 10.527 -0.458 138 HG1 THR 12 1HG THR 12 6.462 10.589 -2.364 139 1HG2 THR 12 1HG2 THR 12 8.866 12.608 -2.231 140 2HG2 THR 12 3HG2 THR 12 7.294 12.792 -1.450 141 3HG2 THR 12 2HG2 THR 12 8.756 12.657 -0.472 142 QG2 THR 12 QG2 THR 12 8.305 12.686 -1.385 143 H LEU 13 H LEU 13 10.295 9.071 0.843 144 HA LEU 13 HA LEU 13 10.282 6.908 1.783 145 1HB LEU 13 2HB LEU 13 7.750 7.252 0.285 146 2HB LEU 13 1HB LEU 13 8.194 5.577 0.596 147 HG LEU 13 HG LEU 13 8.117 7.722 2.731 148 1HD1 LEU 13 3HD1 LEU 13 6.062 5.692 1.822 149 2HD1 LEU 13 2HD1 LEU 13 6.032 6.402 3.438 150 3HD1 LEU 13 1HD1 LEU 13 5.856 7.436 2.019 151 1HD2 LEU 13 1HD2 LEU 13 9.478 5.393 2.786 152 2HD2 LEU 13 3HD2 LEU 13 8.700 6.065 4.218 153 3HD2 LEU 13 2HD2 LEU 13 7.895 4.803 3.286 154 QB LEU 13 QB LEU 13 7.972 6.414 0.441 155 QD1 LEU 13 QD1 LEU 13 5.983 6.510 2.427 156 QD2 LEU 13 QD2 LEU 13 8.691 5.420 3.430 157 QQD LEU 13 QQD LEU 13 7.337 5.965 2.928 158 H LYS 14 H LYS 14 10.643 4.576 1.193 159 HA LYS 14 HA LYS 14 10.966 3.681 -1.496 160 1HB LYS 14 2HB LYS 14 13.483 3.746 -1.549 161 2HB LYS 14 1HB LYS 14 12.750 5.347 -1.572 162 1HG LYS 14 2HG LYS 14 13.024 4.798 1.149 163 2HG LYS 14 1HG LYS 14 14.492 4.126 0.442 164 1HD LYS 14 2HD LYS 14 13.478 6.934 -0.086 165 2HD LYS 14 1HD LYS 14 14.730 6.533 1.091 166 1HE LYS 14 2HE LYS 14 15.939 5.365 -0.892 167 2HE LYS 14 1HE LYS 14 14.849 6.319 -1.919 168 1HZ LYS 14 2HZ LYS 14 15.507 8.297 -0.614 169 2HZ LYS 14 1HZ LYS 14 16.672 7.354 0.187 170 3HZ LYS 14 3HZ LYS 14 16.799 7.619 -1.483 171 QB LYS 14 QB LYS 14 13.116 4.546 -1.561 172 QG LYS 14 QG LYS 14 13.758 4.462 0.795 173 QD LYS 14 QD LYS 14 14.104 6.734 0.502 174 QE LYS 14 QE LYS 14 15.394 5.842 -1.406 175 QZ LYS 14 QZ LYS 14 16.326 7.757 -0.636 176 H GLY 15 H GLY 15 9.979 1.826 -0.463 177 1HA GLY 15 2HA GLY 15 11.735 -0.243 0.320 178 2HA GLY 15 1HA GLY 15 11.131 0.490 1.805 179 QA GLY 15 QA GLY 15 11.433 0.123 1.063 180 H GLU 16 H GLU 16 10.147 -1.696 2.115 181 HA GLU 16 HA GLU 16 7.483 -1.855 0.751 182 1HB GLU 16 2HB GLU 16 9.646 -3.903 1.171 183 2HB GLU 16 1HB GLU 16 7.963 -4.422 1.043 184 1HG GLU 16 2HG GLU 16 7.752 -3.631 -1.157 185 2HG GLU 16 1HG GLU 16 9.130 -2.542 -0.997 186 QB GLU 16 QB GLU 16 8.805 -4.163 1.107 187 QG GLU 16 QG GLU 16 8.441 -3.086 -1.077 188 H ILE 17 H ILE 17 7.074 -0.631 2.931 189 HA ILE 17 HA ILE 17 7.274 -1.972 5.453 190 HB ILE 17 HB ILE 17 6.879 0.445 5.134 191 1HG1 ILE 17 2HG1 ILE 17 4.666 0.493 6.635 192 2HG1 ILE 17 1HG1 ILE 17 5.001 -1.235 6.744 193 1HG2 ILE 17 1HG2 ILE 17 5.009 -0.356 3.259 194 2HG2 ILE 17 3HG2 ILE 17 4.001 0.205 4.594 195 3HG2 ILE 17 2HG2 ILE 17 5.196 1.285 3.877 196 1HD1 ILE 17 3HD1 ILE 17 7.191 0.777 7.209 197 2HD1 ILE 17 2HD1 ILE 17 6.082 0.344 8.508 198 3HD1 ILE 17 1HD1 ILE 17 7.092 -0.894 7.762 199 QG1 ILE 17 QG1 ILE 17 4.833 -0.371 6.689 200 QG2 ILE 17 QG2 ILE 17 4.735 0.378 3.910 201 QD1 ILE 17 QD1 ILE 17 6.788 0.076 7.826 202 H THR 18 H THR 18 6.335 -3.918 5.883 203 HA THR 18 HA THR 18 3.961 -4.853 4.428 204 HB THR 18 HB THR 18 4.399 -6.900 5.748 205 HG1 THR 18 1HG THR 18 5.545 -6.814 7.506 206 1HG2 THR 18 1HG2 THR 18 6.079 -5.773 3.850 207 2HG2 THR 18 3HG2 THR 18 7.182 -6.217 5.152 208 3HG2 THR 18 2HG2 THR 18 6.146 -7.439 4.419 209 QG2 THR 18 QG2 THR 18 6.469 -6.476 4.473 210 H ILE 19 H ILE 19 1.876 -4.941 5.247 211 HA ILE 19 HA ILE 19 1.443 -4.317 8.134 212 HB ILE 19 HB ILE 19 -0.258 -2.634 7.488 213 1HG1 ILE 19 2HG1 ILE 19 0.158 -1.909 4.926 214 2HG1 ILE 19 1HG1 ILE 19 0.449 -3.642 4.770 215 1HG2 ILE 19 1HG2 ILE 19 2.164 -2.030 7.862 216 2HG2 ILE 19 3HG2 ILE 19 2.386 -2.085 6.113 217 3HG2 ILE 19 2HG2 ILE 19 1.287 -0.903 6.825 218 1HD1 ILE 19 1HD1 ILE 19 -1.800 -3.691 6.274 219 2HD1 ILE 19 3HD1 ILE 19 -2.068 -2.186 5.393 220 3HD1 ILE 19 2HD1 ILE 19 -1.828 -3.695 4.510 221 QG1 ILE 19 QG1 ILE 19 0.303 -2.776 4.848 222 QG2 ILE 19 QG2 ILE 19 1.946 -1.673 6.933 223 QD1 ILE 19 QD1 ILE 19 -1.899 -3.191 5.392 224 H GLU 20 H GLU 20 -0.529 -5.164 8.957 225 HA GLU 20 HA GLU 20 -1.669 -7.392 7.377 226 1HB GLU 20 2HB GLU 20 -2.688 -7.960 9.568 227 2HB GLU 20 1HB GLU 20 -0.954 -7.692 9.716 228 1HG GLU 20 2HG GLU 20 -1.356 -6.127 11.285 229 2HG GLU 20 1HG GLU 20 -2.185 -5.155 10.071 230 QB GLU 20 QB GLU 20 -1.821 -7.826 9.642 231 QG GLU 20 QG GLU 20 -1.771 -5.641 10.678 232 H ALA 21 H ALA 21 -3.910 -7.544 6.858 233 HA ALA 21 HA ALA 21 -5.787 -5.410 7.592 234 1HB ALA 21 2HB ALA 21 -4.500 -5.646 4.866 235 2HB ALA 21 1HB ALA 21 -6.055 -4.842 5.086 236 3HB ALA 21 3HB ALA 21 -4.618 -4.218 5.897 237 QB ALA 21 QB ALA 21 -5.058 -4.902 5.283 238 H VAL 22 H VAL 22 -7.964 -5.877 6.752 239 HA VAL 22 HA VAL 22 -8.788 -8.557 6.854 240 HB VAL 22 HB VAL 22 -10.225 -6.574 7.139 241 1HG1 VAL 22 3HG1 VAL 22 -9.086 -5.335 5.199 242 2HG1 VAL 22 2HG1 VAL 22 -10.157 -6.245 4.133 243 3HG1 VAL 22 1HG1 VAL 22 -10.835 -5.146 5.334 244 1HG2 VAL 22 1HG2 VAL 22 -11.062 -8.896 6.241 245 2HG2 VAL 22 3HG2 VAL 22 -12.163 -7.519 6.230 246 3HG2 VAL 22 2HG2 VAL 22 -11.346 -8.009 4.745 247 QG1 VAL 22 QG1 VAL 22 -10.026 -5.575 4.889 248 QG2 VAL 22 QG2 VAL 22 -11.524 -8.141 5.739 249 QQG VAL 22 QQG VAL 22 -10.775 -6.858 5.314 250 H ASP 23 H ASP 23 -7.935 -6.594 4.028 251 HA ASP 23 HA ASP 23 -7.368 -8.996 2.432 252 1HB ASP 23 2HB ASP 23 -9.805 -7.280 2.145 253 2HB ASP 23 1HB ASP 23 -9.042 -7.871 0.668 254 QB ASP 23 QB ASP 23 -9.424 -7.575 1.407 255 H ALA 24 H ALA 24 -6.731 -8.145 0.088 256 HA ALA 24 HA ALA 24 -4.632 -6.226 0.383 257 1HB ALA 24 2HB ALA 24 -5.287 -8.104 -1.432 258 2HB ALA 24 1HB ALA 24 -5.893 -6.684 -2.284 259 3HB ALA 24 3HB ALA 24 -4.193 -6.771 -1.817 260 QB ALA 24 QB ALA 24 -5.124 -7.186 -1.845 261 H ALA 25 H ALA 25 -8.001 -5.919 -0.656 262 HA ALA 25 HA ALA 25 -8.016 -3.348 -1.789 263 1HB ALA 25 3HB ALA 25 -9.957 -4.972 -0.158 264 2HB ALA 25 2HB ALA 25 -10.399 -3.358 -0.717 265 3HB ALA 25 1HB ALA 25 -9.999 -4.617 -1.884 266 QB ALA 25 QB ALA 25 -10.118 -4.316 -0.920 267 H GLU 26 H GLU 26 -8.533 -4.222 1.641 268 HA GLU 26 HA GLU 26 -8.638 -1.528 2.644 269 1HB GLU 26 2HB GLU 26 -8.464 -4.297 3.627 270 2HB GLU 26 1HB GLU 26 -7.664 -3.139 4.691 271 1HG GLU 26 2HG GLU 26 -9.945 -1.777 4.162 272 2HG GLU 26 1HG GLU 26 -10.547 -3.429 4.034 273 QB GLU 26 QB GLU 26 -8.064 -3.718 4.159 274 QG GLU 26 QG GLU 26 -10.246 -2.603 4.098 275 H ALA 27 H ALA 27 -5.977 -3.868 2.241 276 HA ALA 27 HA ALA 27 -3.861 -2.470 3.500 277 1HB ALA 27 3HB ALA 27 -4.224 -4.501 1.377 278 2HB ALA 27 2HB ALA 27 -2.692 -3.625 1.295 279 3HB ALA 27 1HB ALA 27 -3.128 -4.510 2.760 280 QB ALA 27 QB ALA 27 -3.348 -4.212 1.811 281 H GLU 28 H GLU 28 -5.040 -2.229 0.134 282 HA GLU 28 HA GLU 28 -3.219 -0.251 -0.808 283 1HB GLU 28 2HB GLU 28 -5.041 -1.718 -1.985 284 2HB GLU 28 1HB GLU 28 -6.127 -0.380 -1.605 285 1HG GLU 28 2HG GLU 28 -4.132 1.056 -2.644 286 2HG GLU 28 1HG GLU 28 -3.798 -0.459 -3.485 287 QB GLU 28 QB GLU 28 -5.584 -1.049 -1.795 288 QG GLU 28 QG GLU 28 -3.965 0.298 -3.065 289 H LYS 29 H LYS 29 -6.258 0.025 1.019 290 HA LYS 29 HA LYS 29 -6.451 2.918 0.895 291 1HB LYS 29 2HB LYS 29 -7.487 0.910 2.933 292 2HB LYS 29 1HB LYS 29 -8.076 2.557 2.729 293 1HG LYS 29 2HG LYS 29 -8.136 0.467 0.537 294 2HG LYS 29 1HG LYS 29 -9.501 0.818 1.595 295 1HD LYS 29 2HD LYS 29 -8.120 2.846 -0.186 296 2HD LYS 29 1HD LYS 29 -9.645 2.046 -0.558 297 1HE LYS 29 2HE LYS 29 -10.039 3.059 2.024 298 2HE LYS 29 1HE LYS 29 -9.163 4.346 1.174 299 1HZ LYS 29 3HZ LYS 29 -10.705 4.084 -0.691 300 2HZ LYS 29 2HZ LYS 29 -11.577 2.919 0.186 301 3HZ LYS 29 1HZ LYS 29 -11.521 4.528 0.728 302 QB LYS 29 QB LYS 29 -7.781 1.733 2.831 303 QG LYS 29 QG LYS 29 -8.819 0.643 1.066 304 QD LYS 29 QD LYS 29 -8.883 2.446 -0.372 305 QE LYS 29 QE LYS 29 -9.601 3.702 1.599 306 QZ LYS 29 QZ LYS 29 -11.268 3.844 0.074 307 H ILE 30 H ILE 30 -5.293 0.646 3.402 308 HA ILE 30 HA ILE 30 -4.307 2.564 5.273 309 HB ILE 30 HB ILE 30 -3.354 -0.242 4.570 310 1HG1 ILE 30 2HG1 ILE 30 -5.162 0.530 6.856 311 2HG1 ILE 30 1HG1 ILE 30 -5.828 0.222 5.254 312 1HG2 ILE 30 3HG2 ILE 30 -2.690 1.665 6.780 313 2HG2 ILE 30 2HG2 ILE 30 -2.836 -0.047 7.182 314 3HG2 ILE 30 1HG2 ILE 30 -1.661 0.480 5.978 315 1HD1 ILE 30 3HD1 ILE 30 -3.956 -1.872 5.916 316 2HD1 ILE 30 2HD1 ILE 30 -5.126 -1.692 7.225 317 3HD1 ILE 30 1HD1 ILE 30 -5.685 -2.000 5.583 318 QG1 ILE 30 QG1 ILE 30 -5.495 0.376 6.055 319 QG2 ILE 30 QG2 ILE 30 -2.396 0.700 6.647 320 QD1 ILE 30 QD1 ILE 30 -4.922 -1.855 6.241 321 H PHE 31 H PHE 31 -2.859 1.055 2.421 322 HA PHE 31 HA PHE 31 -0.226 2.256 2.754 323 1HB PHE 31 2HB PHE 31 -1.763 0.772 0.626 324 2HB PHE 31 1HB PHE 31 -0.225 1.528 0.217 325 HD1 PHE 31 1HD PHE 31 1.492 1.156 2.461 326 HD2 PHE 31 2HD PHE 31 -1.501 -1.515 0.926 327 HE1 PHE 31 1HE PHE 31 2.703 -0.770 3.449 328 HE2 PHE 31 2HE PHE 31 -0.289 -3.440 1.914 329 1HZ PHE 31 HZ PHE 31 1.812 -3.067 3.176 330 QB PHE 31 QB PHE 31 -0.994 1.150 0.421 331 QG PHE 31 QD PHE 31 -0.005 -0.180 1.694 332 QZ PHE 31 QE PHE 31 1.207 -2.105 2.681 333 QZ PHE 31 QR PHE 31 0.843 -1.527 2.385 334 H LYS 32 H LYS 32 -3.190 3.028 0.969 335 HA LYS 32 HA LYS 32 -2.097 5.302 -0.432 336 1HB LYS 32 2HB LYS 32 -4.816 4.122 0.047 337 2HB LYS 32 1HB LYS 32 -4.642 5.663 -0.790 338 1HG LYS 32 2HG LYS 32 -2.842 3.499 -1.729 339 2HG LYS 32 1HG LYS 32 -4.560 3.257 -2.055 340 1HD LYS 32 2HD LYS 32 -3.020 5.773 -2.762 341 2HD LYS 32 1HD LYS 32 -3.406 4.481 -3.899 342 1HE LYS 32 2HE LYS 32 -5.882 4.871 -3.076 343 2HE LYS 32 1HE LYS 32 -5.256 6.463 -2.600 344 1HZ LYS 32 2HZ LYS 32 -4.878 5.222 -5.276 345 2HZ LYS 32 1HZ LYS 32 -6.028 6.422 -4.923 346 3HZ LYS 32 3HZ LYS 32 -4.374 6.775 -4.803 347 QB LYS 32 QB LYS 32 -4.729 4.893 -0.372 348 QG LYS 32 QG LYS 32 -3.701 3.378 -1.892 349 QD LYS 32 QD LYS 32 -3.213 5.127 -3.330 350 QE LYS 32 QE LYS 32 -5.569 5.667 -2.838 351 QZ LYS 32 QZ LYS 32 -5.093 6.140 -5.001 352 H GLN 33 H GLN 33 -2.749 4.947 2.830 353 HA GLN 33 HA GLN 33 -3.630 7.820 3.129 354 1HB GLN 33 2HB GLN 33 -5.022 5.952 4.142 355 2HB GLN 33 1HB GLN 33 -3.622 5.518 5.125 356 1HG GLN 33 2HG GLN 33 -3.621 7.933 5.951 357 2HG GLN 33 1HG GLN 33 -5.206 8.093 5.193 358 1HE2 GLN 33 2HE2 GLN 33 -4.821 5.950 8.645 359 2HE2 GLN 33 1HE2 GLN 33 -3.446 6.526 7.834 360 QB GLN 33 QB GLN 33 -4.322 5.735 4.634 361 QG GLN 33 QG GLN 33 -4.414 8.013 5.572 362 QE2 GLN 33 QE2 GLN 33 -4.134 6.238 8.240 363 H TYR 34 H TYR 34 -1.559 5.257 4.256 364 HA TYR 34 HA TYR 34 0.311 6.552 5.916 365 1HB TYR 34 2HB TYR 34 0.263 4.203 5.755 366 2HB TYR 34 1HB TYR 34 0.133 4.239 3.992 367 HD1 TYR 34 2HD TYR 34 2.496 4.941 6.832 368 HD2 TYR 34 1HD TYR 34 2.085 3.943 2.675 369 HE1 TYR 34 2HE TYR 34 4.945 4.585 6.675 370 HE2 TYR 34 1HE TYR 34 4.534 3.583 2.519 371 HH TYR 34 HH TYR 34 6.695 4.634 4.872 372 QB TYR 34 QB TYR 34 0.198 4.221 4.874 373 QG TYR 34 QD TYR 34 2.290 4.442 4.754 374 QZ TYR 34 QE TYR 34 4.739 4.084 4.597 375 QR TYR 34 QR TYR 34 3.515 4.263 4.675 376 H ALA 35 H ALA 35 0.046 6.375 2.392 377 HA ALA 35 HA ALA 35 2.605 7.565 1.714 378 1HB ALA 35 1HB ALA 35 -0.017 6.947 0.381 379 2HB ALA 35 3HB ALA 35 1.126 8.003 -0.452 380 3HB ALA 35 2HB ALA 35 1.600 6.361 -0.012 381 QB ALA 35 QB ALA 35 0.903 7.104 -0.028 382 H ASN 36 H ASN 36 -0.729 8.876 1.883 383 HA ASN 36 HA ASN 36 -0.156 11.569 1.178 384 1HB ASN 36 2HB ASN 36 -2.237 10.117 2.765 385 2HB ASN 36 1HB ASN 36 -2.241 11.879 2.772 386 1HD2 ASN 36 2HD2 ASN 36 -2.721 10.096 -0.912 387 2HD2 ASN 36 1HD2 ASN 36 -1.638 9.407 0.197 388 QB ASN 36 QB ASN 36 -2.239 10.998 2.769 389 QD2 ASN 36 QD2 ASN 36 -2.180 9.752 -0.357 390 H ASP 37 H ASP 37 -0.280 10.047 4.408 391 HA ASP 37 HA ASP 37 0.277 12.302 6.004 392 1HB ASP 37 2HB ASP 37 0.884 9.360 6.207 393 2HB ASP 37 1HB ASP 37 1.356 10.466 7.499 394 QB ASP 37 QB ASP 37 1.120 9.913 6.853 395 H ASN 38 H ASN 38 2.409 10.548 3.907 396 HA ASN 38 HA ASN 38 4.771 11.929 5.016 397 1HB ASN 38 2HB ASN 38 4.185 9.360 3.716 398 2HB ASN 38 1HB ASN 38 5.652 10.136 3.119 399 1HD2 ASN 38 2HD2 ASN 38 7.498 9.320 5.998 400 2HD2 ASN 38 1HD2 ASN 38 7.503 9.840 4.382 401 QB ASN 38 QB ASN 38 4.918 9.748 3.417 402 QD2 ASN 38 QD2 ASN 38 7.500 9.580 5.190 403 H GLY 39 H GLY 39 2.730 11.696 2.183 404 1HA GLY 39 2HA GLY 39 2.645 13.648 0.664 405 2HA GLY 39 1HA GLY 39 4.389 13.815 0.879 406 QA GLY 39 QA GLY 39 3.517 13.732 0.771 407 H ILE 40 H ILE 40 2.833 10.706 0.438 408 HA ILE 40 HA ILE 40 4.402 10.300 -2.050 409 HB ILE 40 HB ILE 40 3.142 8.677 0.121 410 1HG1 ILE 40 2HG1 ILE 40 5.369 7.521 -0.064 411 2HG1 ILE 40 1HG1 ILE 40 5.798 8.709 -1.299 412 1HG2 ILE 40 1HG2 ILE 40 2.300 7.651 -2.034 413 2HG2 ILE 40 3HG2 ILE 40 3.987 7.374 -2.470 414 3HG2 ILE 40 2HG2 ILE 40 3.301 6.596 -1.041 415 1HD1 ILE 40 1HD1 ILE 40 4.790 9.478 1.441 416 2HD1 ILE 40 3HD1 ILE 40 6.509 9.308 1.066 417 3HD1 ILE 40 2HD1 ILE 40 5.539 10.525 0.228 418 QG1 ILE 40 QG1 ILE 40 5.584 8.115 -0.681 419 QG2 ILE 40 QG2 ILE 40 3.196 7.207 -1.848 420 QD1 ILE 40 QD1 ILE 40 5.613 9.770 0.912 421 H ASP 41 H ASP 41 3.279 11.101 -3.768 422 HA ASP 41 HA ASP 41 0.497 10.086 -4.217 423 1HB ASP 41 2HB ASP 41 0.993 12.566 -3.248 424 2HB ASP 41 1HB ASP 41 1.089 12.896 -4.978 425 QB ASP 41 QB ASP 41 1.041 12.731 -4.113 426 H GLY 42 H GLY 42 0.735 8.919 -6.088 427 1HA GLY 42 2HA GLY 42 1.491 10.262 -8.548 428 2HA GLY 42 1HA GLY 42 2.688 9.063 -8.060 429 QA GLY 42 QA GLY 42 2.090 9.663 -8.304 430 H GLU 43 H GLU 43 2.300 6.960 -8.629 431 HA GLU 43 HA GLU 43 -0.418 6.303 -9.733 432 1HB GLU 43 2HB GLU 43 2.036 6.206 -10.902 433 2HB GLU 43 1HB GLU 43 1.936 4.570 -10.253 434 1HG GLU 43 2HG GLU 43 0.959 4.390 -12.398 435 2HG GLU 43 1HG GLU 43 -0.424 4.504 -11.312 436 QB GLU 43 QB GLU 43 1.986 5.388 -10.577 437 QG GLU 43 QG GLU 43 0.268 4.447 -11.855 438 H TRP 44 H TRP 44 -0.891 3.825 -9.507 439 HA TRP 44 HA TRP 44 0.170 2.576 -7.010 440 1HB TRP 44 2HB TRP 44 -2.581 3.722 -7.463 441 2HB TRP 44 1HB TRP 44 -2.397 2.292 -6.443 442 HD1 TRP 44 HD TRP 44 -1.467 5.994 -6.602 443 HE1 TRP 44 1HE TRP 44 -0.681 6.728 -4.258 444 HE3 TRP 44 3HE TRP 44 -1.383 1.471 -4.280 445 HZ2 TRP 44 2HZ TRP 44 -0.087 5.535 -1.726 446 HZ3 TRP 44 3HZ TRP 44 -0.706 1.292 -1.897 447 HH2 TRP 44 HH TRP 44 -0.048 3.316 -0.631 448 QB TRP 44 QB TRP 44 -2.489 3.007 -6.953 449 H THR 45 H THR 45 0.320 0.407 -7.359 450 HA THR 45 HA THR 45 -1.631 -0.917 -9.191 451 HB THR 45 HB THR 45 0.069 -1.859 -10.549 452 HG1 THR 45 1HG THR 45 1.618 -2.552 -9.270 453 1HG2 THR 45 3HG2 THR 45 -0.245 0.548 -10.993 454 2HG2 THR 45 2HG2 THR 45 1.053 0.917 -9.855 455 3HG2 THR 45 1HG2 THR 45 1.407 0.038 -11.345 456 QG2 THR 45 QG2 THR 45 0.738 0.501 -10.731 457 H TYR 46 H TYR 46 -2.247 -2.872 -8.383 458 HA TYR 46 HA TYR 46 -0.911 -3.824 -5.900 459 1HB TYR 46 2HB TYR 46 -3.284 -3.456 -5.754 460 2HB TYR 46 1HB TYR 46 -3.578 -4.373 -7.235 461 HD1 TYR 46 1HD TYR 46 -1.663 -4.947 -4.052 462 HD2 TYR 46 2HD TYR 46 -4.539 -6.465 -6.856 463 HE1 TYR 46 1HE TYR 46 -1.846 -7.034 -2.731 464 HE2 TYR 46 2HE TYR 46 -4.723 -8.556 -5.532 465 HH TYR 46 HH TYR 46 -2.734 -9.704 -3.624 466 QB TYR 46 QB TYR 46 -3.431 -3.914 -6.495 467 QG TYR 46 QD TYR 46 -3.101 -5.706 -5.454 468 QZ TYR 46 QE TYR 46 -3.284 -7.795 -4.131 469 QR TYR 46 QR TYR 46 -3.193 -6.750 -4.793 470 H ASP 47 H ASP 47 -0.012 -5.883 -5.755 471 HA ASP 47 HA ASP 47 0.274 -7.402 -8.325 472 1HB ASP 47 2HB ASP 47 2.226 -6.225 -6.967 473 2HB ASP 47 1HB ASP 47 2.108 -7.667 -5.960 474 QB ASP 47 QB ASP 47 2.167 -6.946 -6.464 475 H ASP 48 H ASP 48 -1.472 -8.851 -8.071 476 HA ASP 48 HA ASP 48 -2.152 -10.163 -5.594 477 1HB ASP 48 2HB ASP 48 -3.572 -11.539 -7.104 478 2HB ASP 48 1HB ASP 48 -3.720 -9.817 -7.445 479 QB ASP 48 QB ASP 48 -3.646 -10.678 -7.275 480 H ALA 49 H ALA 49 0.498 -10.663 -7.646 481 HA ALA 49 HA ALA 49 0.694 -13.575 -7.178 482 1HB ALA 49 2HB ALA 49 1.256 -12.555 -9.364 483 2HB ALA 49 1HB ALA 49 2.487 -11.563 -8.582 484 3HB ALA 49 3HB ALA 49 2.675 -13.315 -8.644 485 QB ALA 49 QB ALA 49 2.139 -12.478 -8.864 486 H THR 50 H THR 50 1.996 -10.525 -6.008 487 HA THR 50 HA THR 50 3.732 -12.042 -4.089 488 HB THR 50 HB THR 50 5.197 -10.026 -4.207 489 HG1 THR 50 1HG THR 50 4.696 -8.557 -5.936 490 1HG2 THR 50 1HG2 THR 50 5.279 -12.065 -5.827 491 2HG2 THR 50 3HG2 THR 50 4.660 -10.929 -7.025 492 3HG2 THR 50 2HG2 THR 50 6.209 -10.623 -6.237 493 QG2 THR 50 QG2 THR 50 5.383 -11.206 -6.363 494 H LYS 51 H LYS 51 0.868 -10.410 -4.272 495 HA LYS 51 HA LYS 51 -0.450 -9.220 -2.722 496 1HB LYS 51 2HB LYS 51 1.606 -10.476 -0.869 497 2HB LYS 51 1HB LYS 51 0.052 -9.817 -0.360 498 1HG LYS 51 2HG LYS 51 0.122 -11.889 -2.530 499 2HG LYS 51 1HG LYS 51 0.280 -12.394 -0.847 500 1HD LYS 51 2HD LYS 51 -1.811 -11.046 -0.355 501 2HD LYS 51 1HD LYS 51 -2.008 -10.858 -2.098 502 1HE LYS 51 2HE LYS 51 -3.227 -12.801 -1.868 503 2HE LYS 51 1HE LYS 51 -1.622 -13.555 -1.940 504 1HZ LYS 51 1HZ LYS 51 -1.455 -13.314 0.472 505 2HZ LYS 51 3HZ LYS 51 -3.019 -12.658 0.527 506 3HZ LYS 51 2HZ LYS 51 -2.793 -14.271 0.045 507 QB LYS 51 QB LYS 51 0.829 -10.146 -0.614 508 QG LYS 51 QG LYS 51 0.201 -12.142 -1.689 509 QD LYS 51 QD LYS 51 -1.909 -10.952 -1.227 510 QE LYS 51 QE LYS 51 -2.425 -13.178 -1.904 511 QZ LYS 51 QZ LYS 51 -2.422 -13.414 0.348 512 H THR 52 H THR 52 1.739 -7.786 -4.002 513 HA THR 52 HA THR 52 2.343 -5.775 -1.844 514 HB THR 52 HB THR 52 4.098 -6.421 -4.220 515 HG1 THR 52 1HG THR 52 5.206 -7.809 -2.851 516 1HG2 THR 52 2HG2 THR 52 4.314 -4.830 -1.700 517 2HG2 THR 52 1HG2 THR 52 5.770 -5.611 -2.320 518 3HG2 THR 52 3HG2 THR 52 4.898 -4.449 -3.320 519 QG2 THR 52 QG2 THR 52 4.994 -4.963 -2.446 520 H PHE 53 H PHE 53 2.057 -3.604 -2.434 521 HA PHE 53 HA PHE 53 0.662 -3.126 -5.012 522 1HB PHE 53 2HB PHE 53 1.009 -1.613 -2.418 523 2HB PHE 53 1HB PHE 53 0.223 -0.890 -3.822 524 HD1 PHE 53 2HD PHE 53 0.059 -3.744 -1.429 525 HD2 PHE 53 1HD PHE 53 -2.033 -1.452 -4.408 526 HE1 PHE 53 2HE PHE 53 -2.065 -4.891 -0.828 527 HE2 PHE 53 1HE PHE 53 -4.141 -2.596 -3.803 528 1HZ PHE 53 HZ PHE 53 -4.157 -4.315 -2.019 529 QB PHE 53 QB PHE 53 0.616 -1.252 -3.120 530 QG PHE 53 QD PHE 53 -0.987 -2.598 -2.918 531 QZ PHE 53 QE PHE 53 -3.103 -3.744 -2.315 532 QZ PHE 53 QR PHE 53 -2.467 -3.400 -2.497 533 H THR 54 H THR 54 1.303 -0.435 -5.526 534 HA THR 54 HA THR 54 4.233 -0.116 -5.488 535 HB THR 54 HB THR 54 2.880 -0.125 -8.173 536 HG1 THR 54 1HG THR 54 3.533 -2.355 -8.328 537 1HG2 THR 54 2HG2 THR 54 5.644 -0.374 -7.059 538 2HG2 THR 54 1HG2 THR 54 5.295 -1.102 -8.627 539 3HG2 THR 54 3HG2 THR 54 5.056 0.629 -8.387 540 QG2 THR 54 QG2 THR 54 5.332 -0.282 -8.024 541 H VAL 55 H VAL 55 3.707 1.815 -4.410 542 HA VAL 55 HA VAL 55 1.920 3.726 -5.771 543 HB VAL 55 HB VAL 55 1.520 3.458 -3.434 544 1HG1 VAL 55 2HG1 VAL 55 4.496 3.937 -3.070 545 2HG1 VAL 55 1HG1 VAL 55 3.327 3.979 -1.751 546 3HG1 VAL 55 3HG1 VAL 55 3.567 2.486 -2.655 547 1HG2 VAL 55 2HG2 VAL 55 1.455 5.796 -4.302 548 2HG2 VAL 55 1HG2 VAL 55 1.836 5.715 -2.582 549 3HG2 VAL 55 3HG2 VAL 55 3.117 6.013 -3.756 550 QG1 VAL 55 QG1 VAL 55 3.797 3.467 -2.492 551 QG2 VAL 55 QG2 VAL 55 2.136 5.842 -3.547 552 QQG VAL 55 QQG VAL 55 2.966 4.654 -3.019 553 H THR 56 H THR 56 2.860 4.826 -7.365 554 HA THR 56 HA THR 56 5.689 5.672 -7.208 555 HB THR 56 HB THR 56 3.473 5.494 -9.239 556 HG1 THR 56 1HG THR 56 4.813 4.107 -10.107 557 1HG2 THR 56 2HG2 THR 56 5.962 7.191 -9.587 558 2HG2 THR 56 1HG2 THR 56 4.907 6.685 -10.906 559 3HG2 THR 56 3HG2 THR 56 4.288 7.749 -9.641 560 QG2 THR 56 QG2 THR 56 5.053 7.208 -10.045 561 H GLU 57 H GLU 57 6.056 8.088 -7.816 562 HA GLU 57 HA GLU 57 3.907 9.842 -6.688 563 1HB GLU 57 2HB GLU 57 5.649 9.216 -4.999 564 2HB GLU 57 1HB GLU 57 6.873 9.940 -6.042 565 1HG GLU 57 2HG GLU 57 4.550 11.684 -5.487 566 2HG GLU 57 1HG GLU 57 5.527 11.294 -4.073 567 QB GLU 57 QB GLU 57 6.261 9.578 -5.520 568 QG GLU 57 QG GLU 57 5.039 11.489 -4.780 No H/Q in entry = 568 Start of MODEL 2 1 1H MET 1 3HT MET 1 -1.353 -12.279 8.580 2 2H MET 1 2HT MET 1 -0.988 -13.758 9.331 3 3H MET 1 1HT MET 1 -0.079 -13.234 7.995 4 HA MET 1 HA MET 1 -1.599 -14.934 7.257 5 1HB MET 1 2HB MET 1 -3.050 -14.125 9.355 6 2HB MET 1 1HB MET 1 -3.897 -13.216 8.104 7 1HG MET 1 2HG MET 1 -3.791 -15.563 6.841 8 2HG MET 1 1HG MET 1 -3.694 -16.172 8.493 9 1HE MET 1 2HE MET 1 -5.442 -16.116 10.211 10 2HE MET 1 1HE MET 1 -5.243 -14.367 10.281 11 3HE MET 1 3HE MET 1 -6.863 -15.074 10.215 12 QB MET 1 QB MET 1 -3.473 -13.671 8.730 13 QG MET 1 QG MET 1 -3.742 -15.868 7.667 14 QE MET 1 QE MET 1 -5.849 -15.186 10.236 15 H THR 2 H THR 2 -2.681 -11.512 7.294 16 HA THR 2 HA THR 2 -2.681 -11.577 4.292 17 HB THR 2 HB THR 2 -4.311 -9.878 6.208 18 HG1 THR 2 1HG THR 2 -5.033 -12.160 4.686 19 1HG2 THR 2 2HG2 THR 2 -4.033 -10.055 3.251 20 2HG2 THR 2 1HG2 THR 2 -5.666 -9.860 3.885 21 3HG2 THR 2 3HG2 THR 2 -4.426 -8.665 4.263 22 QG2 THR 2 QG2 THR 2 -4.708 -9.527 3.800 23 H THR 3 H THR 3 -0.370 -10.930 6.013 24 HA THR 3 HA THR 3 0.034 -8.122 6.341 25 HB THR 3 HB THR 3 2.065 -10.269 5.655 26 HG1 THR 3 1HG THR 3 2.011 -10.804 7.766 27 1HG2 THR 3 1HG2 THR 3 2.484 -7.599 5.928 28 2HG2 THR 3 3HG2 THR 3 2.629 -8.114 7.609 29 3HG2 THR 3 2HG2 THR 3 3.675 -8.820 6.376 30 QG2 THR 3 QG2 THR 3 2.929 -8.178 6.638 31 H PHE 4 H PHE 4 -0.665 -6.966 4.487 32 HA PHE 4 HA PHE 4 0.368 -7.636 1.816 33 1HB PHE 4 2HB PHE 4 -1.546 -5.756 3.102 34 2HB PHE 4 1HB PHE 4 -0.842 -5.223 1.574 35 HD1 PHE 4 1HD PHE 4 -0.835 -6.977 -0.364 36 HD2 PHE 4 2HD PHE 4 -3.386 -7.215 3.082 37 HE1 PHE 4 1HE PHE 4 -2.353 -8.497 -1.597 38 HE2 PHE 4 2HE PHE 4 -4.909 -8.733 1.841 39 1HZ PHE 4 HZ PHE 4 -4.391 -9.376 -0.494 40 QB PHE 4 QB PHE 4 -1.194 -5.490 2.338 41 QG PHE 4 QD PHE 4 -2.110 -7.096 1.359 42 QZ PHE 4 QE PHE 4 -3.631 -8.615 0.122 43 QZ PHE 4 QR PHE 4 -3.175 -8.160 0.494 44 H LYS 5 H LYS 5 2.004 -6.506 0.733 45 HA LYS 5 HA LYS 5 3.660 -4.680 2.415 46 1HB LYS 5 2HB LYS 5 4.222 -6.243 -0.126 47 2HB LYS 5 1HB LYS 5 5.416 -5.297 0.761 48 1HG LYS 5 2HG LYS 5 4.660 -6.757 2.804 49 2HG LYS 5 1HG LYS 5 4.063 -7.857 1.561 50 1HD LYS 5 2HD LYS 5 6.880 -6.764 1.514 51 2HD LYS 5 1HD LYS 5 6.465 -8.253 2.365 52 1HE LYS 5 2HE LYS 5 5.490 -9.139 0.216 53 2HE LYS 5 1HE LYS 5 6.126 -7.699 -0.602 54 1HZ LYS 5 3HZ LYS 5 7.770 -9.511 1.081 55 2HZ LYS 5 2HZ LYS 5 7.687 -9.616 -0.613 56 3HZ LYS 5 1HZ LYS 5 8.324 -8.224 0.125 57 QB LYS 5 QB LYS 5 4.819 -5.770 0.317 58 QG LYS 5 QG LYS 5 4.361 -7.307 2.183 59 QD LYS 5 QD LYS 5 6.672 -7.508 1.940 60 QE LYS 5 QE LYS 5 5.808 -8.419 -0.193 61 QZ LYS 5 QZ LYS 5 7.927 -9.117 0.198 62 H LEU 6 H LEU 6 4.980 -3.128 0.762 63 HA LEU 6 HA LEU 6 3.375 -2.037 -1.435 64 1HB LEU 6 2HB LEU 6 2.194 -1.198 0.562 65 2HB LEU 6 1HB LEU 6 3.704 -0.540 1.191 66 HG LEU 6 HG LEU 6 3.709 0.656 -1.223 67 1HD1 LEU 6 2HD1 LEU 6 0.945 -0.285 -0.761 68 2HD1 LEU 6 1HD1 LEU 6 1.095 1.416 -1.200 69 3HD1 LEU 6 3HD1 LEU 6 1.747 0.174 -2.264 70 1HD2 LEU 6 2HD2 LEU 6 3.505 1.495 1.324 71 2HD2 LEU 6 1HD2 LEU 6 3.301 2.587 -0.046 72 3HD2 LEU 6 3HD2 LEU 6 1.887 1.921 0.765 73 QB LEU 6 QB LEU 6 2.949 -0.869 0.877 74 QD1 LEU 6 QD1 LEU 6 1.262 0.435 -1.408 75 QD2 LEU 6 QD2 LEU 6 2.898 2.001 0.681 76 QQD LEU 6 QQD LEU 6 2.080 1.218 -0.364 77 H ILE 7 H ILE 7 5.090 -1.780 -2.825 78 HA ILE 7 HA ILE 7 7.729 -0.872 -1.870 79 HB ILE 7 HB ILE 7 6.593 -1.511 -4.622 80 1HG1 ILE 7 2HG1 ILE 7 8.379 -3.186 -2.830 81 2HG1 ILE 7 1HG1 ILE 7 6.632 -3.400 -2.948 82 1HG2 ILE 7 2HG2 ILE 7 8.607 -0.041 -4.658 83 2HG2 ILE 7 1HG2 ILE 7 9.477 -1.252 -3.716 84 3HG2 ILE 7 3HG2 ILE 7 8.924 -1.634 -5.346 85 1HD1 ILE 7 1HD1 ILE 7 8.443 -3.467 -5.369 86 2HD1 ILE 7 3HD1 ILE 7 8.035 -4.915 -4.449 87 3HD1 ILE 7 2HD1 ILE 7 6.764 -3.997 -5.258 88 QG1 ILE 7 QG1 ILE 7 7.505 -3.293 -2.889 89 QG2 ILE 7 QG2 ILE 7 9.003 -0.976 -4.573 90 QD1 ILE 7 QD1 ILE 7 7.747 -4.126 -5.026 91 H ILE 8 H ILE 8 8.025 1.327 -1.607 92 HA ILE 8 HA ILE 8 6.194 3.193 -2.958 93 HB ILE 8 HB ILE 8 8.622 3.949 -1.332 94 1HG1 ILE 8 2HG1 ILE 8 6.994 2.160 -0.184 95 2HG1 ILE 8 1HG1 ILE 8 7.603 3.528 0.722 96 1HG2 ILE 8 1HG2 ILE 8 6.049 5.195 -2.212 97 2HG2 ILE 8 3HG2 ILE 8 6.763 5.737 -0.688 98 3HG2 ILE 8 2HG2 ILE 8 7.684 5.874 -2.187 99 1HD1 ILE 8 1HD1 ILE 8 4.994 3.774 -0.742 100 2HD1 ILE 8 3HD1 ILE 8 5.048 2.939 0.808 101 3HD1 ILE 8 2HD1 ILE 8 5.545 4.627 0.698 102 QG1 ILE 8 QG1 ILE 8 7.298 2.844 0.269 103 QG2 ILE 8 QG2 ILE 8 6.832 5.602 -1.696 104 QD1 ILE 8 QD1 ILE 8 5.196 3.780 0.255 105 H ASN 9 H ASN 9 6.648 3.840 -5.022 106 HA ASN 9 HA ASN 9 9.487 3.836 -5.951 107 1HB ASN 9 2HB ASN 9 7.755 2.526 -7.167 108 2HB ASN 9 1HB ASN 9 6.850 4.014 -7.448 109 1HD2 ASN 9 2HD2 ASN 9 8.716 4.754 -10.329 110 2HD2 ASN 9 1HD2 ASN 9 7.252 4.884 -9.479 111 QB ASN 9 QB ASN 9 7.303 3.270 -7.307 112 QD2 ASN 9 QD2 ASN 9 7.984 4.819 -9.904 113 H GLY 10 H GLY 10 9.392 5.945 -4.424 114 1HA GLY 10 2HA GLY 10 8.903 8.252 -6.258 115 2HA GLY 10 1HA GLY 10 8.366 8.328 -4.579 116 QA GLY 10 QA GLY 10 8.634 8.290 -5.418 117 H LYS 11 H LYS 11 9.733 9.747 -3.594 118 HA LYS 11 HA LYS 11 12.674 9.218 -3.830 119 1HB LYS 11 2HB LYS 11 12.974 11.689 -3.796 120 2HB LYS 11 1HB LYS 11 12.030 11.161 -5.186 121 1HG LYS 11 2HG LYS 11 9.941 11.690 -3.902 122 2HG LYS 11 1HG LYS 11 10.950 12.351 -2.615 123 1HD LYS 11 2HD LYS 11 12.012 13.785 -4.522 124 2HD LYS 11 1HD LYS 11 10.541 13.384 -5.410 125 1HE LYS 11 2HE LYS 11 9.199 14.251 -3.461 126 2HE LYS 11 1HE LYS 11 10.719 14.806 -2.732 127 1HZ LYS 11 3HZ LYS 11 9.803 15.509 -5.471 128 2HZ LYS 11 2HZ LYS 11 9.658 16.527 -4.118 129 3HZ LYS 11 1HZ LYS 11 11.195 16.088 -4.694 130 QB LYS 11 QB LYS 11 12.502 11.425 -4.491 131 QG LYS 11 QG LYS 11 10.445 12.020 -3.259 132 QD LYS 11 QD LYS 11 11.277 13.584 -4.966 133 QE LYS 11 QE LYS 11 9.959 14.529 -3.096 134 QZ LYS 11 QZ LYS 11 10.218 16.041 -4.761 135 H THR 12 H THR 12 10.060 10.660 -1.869 136 HA THR 12 HA THR 12 11.661 11.046 0.512 137 HB THR 12 HB THR 12 9.260 11.097 1.509 138 HG1 THR 12 1HG THR 12 7.695 11.319 -0.201 139 1HG2 THR 12 1HG2 THR 12 10.082 12.895 -0.785 140 2HG2 THR 12 3HG2 THR 12 8.791 13.267 0.357 141 3HG2 THR 12 2HG2 THR 12 10.456 13.128 0.922 142 QG2 THR 12 QG2 THR 12 9.776 13.097 0.164 143 H LEU 13 H LEU 13 9.341 8.527 -0.493 144 HA LEU 13 HA LEU 13 10.375 6.758 1.694 145 1HB LEU 13 2HB LEU 13 7.760 7.241 0.340 146 2HB LEU 13 1HB LEU 13 8.096 5.587 0.851 147 HG LEU 13 HG LEU 13 8.283 8.021 2.651 148 1HD1 LEU 13 1HD1 LEU 13 6.085 6.111 1.991 149 2HD1 LEU 13 3HD1 LEU 13 6.266 6.582 3.681 150 3HD1 LEU 13 2HD1 LEU 13 5.995 7.813 2.448 151 1HD2 LEU 13 2HD2 LEU 13 8.798 5.082 2.978 152 2HD2 LEU 13 1HD2 LEU 13 9.690 6.451 3.641 153 3HD2 LEU 13 3HD2 LEU 13 8.142 5.983 4.345 154 QB LEU 13 QB LEU 13 7.928 6.414 0.595 155 QD1 LEU 13 QD1 LEU 13 6.115 6.835 2.707 156 QD2 LEU 13 QD2 LEU 13 8.877 5.839 3.655 157 QQD LEU 13 QQD LEU 13 7.496 6.337 3.181 158 H LYS 14 H LYS 14 10.744 4.489 1.097 159 HA LYS 14 HA LYS 14 10.591 3.553 -1.609 160 1HB LYS 14 2HB LYS 14 13.052 3.556 -2.048 161 2HB LYS 14 1HB LYS 14 12.394 5.183 -1.901 162 1HG LYS 14 2HG LYS 14 13.035 4.814 0.668 163 2HG LYS 14 1HG LYS 14 14.194 3.691 -0.040 164 1HD LYS 14 2HD LYS 14 15.471 5.588 -0.196 165 2HD LYS 14 1HD LYS 14 14.561 5.788 -1.694 166 1HE LYS 14 2HE LYS 14 12.934 7.231 -0.550 167 2HE LYS 14 1HE LYS 14 13.788 6.995 0.989 168 1HZ LYS 14 1HZ LYS 14 15.031 8.071 -1.487 169 2HZ LYS 14 3HZ LYS 14 14.507 9.025 -0.185 170 3HZ LYS 14 2HZ LYS 14 15.775 7.915 0.032 171 QB LYS 14 QB LYS 14 12.723 4.369 -1.974 172 QG LYS 14 QG LYS 14 13.615 4.252 0.314 173 QD LYS 14 QD LYS 14 15.016 5.688 -0.945 174 QE LYS 14 QE LYS 14 13.361 7.113 0.219 175 QZ LYS 14 QZ LYS 14 15.105 8.337 -0.547 176 H GLY 15 H GLY 15 9.660 1.788 -0.364 177 1HA GLY 15 2HA GLY 15 11.452 -0.360 0.171 178 2HA GLY 15 1HA GLY 15 10.998 0.375 1.709 179 QA GLY 15 QA GLY 15 11.225 0.007 0.940 180 H GLU 16 H GLU 16 10.277 -2.269 1.026 181 HA GLU 16 HA GLU 16 7.478 -2.269 0.123 182 1HB GLU 16 2HB GLU 16 7.783 -4.704 0.356 183 2HB GLU 16 1HB GLU 16 9.141 -3.983 -0.503 184 1HG GLU 16 2HG GLU 16 9.906 -3.842 2.178 185 2HG GLU 16 1HG GLU 16 9.116 -5.412 2.045 186 QB GLU 16 QB GLU 16 8.462 -4.344 -0.073 187 QG GLU 16 QG GLU 16 9.511 -4.627 2.112 188 H ILE 17 H ILE 17 6.877 -0.785 2.038 189 HA ILE 17 HA ILE 17 6.967 -1.565 4.764 190 HB ILE 17 HB ILE 17 4.835 -0.054 3.210 191 1HG1 ILE 17 2HG1 ILE 17 6.849 1.381 4.843 192 2HG1 ILE 17 1HG1 ILE 17 7.498 0.565 3.421 193 1HG2 ILE 17 1HG2 ILE 17 4.230 -0.830 5.563 194 2HG2 ILE 17 3HG2 ILE 17 5.540 0.197 6.144 195 3HG2 ILE 17 2HG2 ILE 17 4.167 0.912 5.300 196 1HD1 ILE 17 3HD1 ILE 17 4.995 2.180 3.114 197 2HD1 ILE 17 2HD1 ILE 17 6.536 3.030 3.243 198 3HD1 ILE 17 1HD1 ILE 17 6.277 1.865 1.944 199 QG1 ILE 17 QG1 ILE 17 7.173 0.973 4.132 200 QG2 ILE 17 QG2 ILE 17 4.646 0.093 5.669 201 QD1 ILE 17 QD1 ILE 17 5.936 2.359 2.767 202 H THR 18 H THR 18 6.128 -3.374 5.704 203 HA THR 18 HA THR 18 3.915 -4.844 4.359 204 HB THR 18 HB THR 18 4.660 -6.659 5.881 205 HG1 THR 18 1HG THR 18 5.529 -5.935 7.643 206 1HG2 THR 18 2HG2 THR 18 6.031 -5.627 3.707 207 2HG2 THR 18 1HG2 THR 18 7.286 -5.758 4.939 208 3HG2 THR 18 3HG2 THR 18 6.354 -7.181 4.476 209 QG2 THR 18 QG2 THR 18 6.557 -6.189 4.374 210 H ILE 19 H ILE 19 1.881 -4.919 5.241 211 HA ILE 19 HA ILE 19 1.503 -4.263 8.118 212 HB ILE 19 HB ILE 19 -0.220 -2.579 7.514 213 1HG1 ILE 19 2HG1 ILE 19 0.178 -1.829 4.952 214 2HG1 ILE 19 1HG1 ILE 19 0.458 -3.562 4.782 215 1HG2 ILE 19 3HG2 ILE 19 2.279 -2.051 7.812 216 2HG2 ILE 19 2HG2 ILE 19 2.341 -1.921 6.055 217 3HG2 ILE 19 1HG2 ILE 19 1.304 -0.839 6.983 218 1HD1 ILE 19 1HD1 ILE 19 -1.771 -3.661 6.273 219 2HD1 ILE 19 3HD1 ILE 19 -2.044 -2.101 5.498 220 3HD1 ILE 19 2HD1 ILE 19 -1.831 -3.549 4.514 221 QG1 ILE 19 QG1 ILE 19 0.318 -2.695 4.867 222 QG2 ILE 19 QG2 ILE 19 1.975 -1.604 6.950 223 QD1 ILE 19 QD1 ILE 19 -1.882 -3.104 5.428 224 H GLU 20 H GLU 20 -0.268 -5.328 9.008 225 HA GLU 20 HA GLU 20 -1.496 -7.466 7.420 226 1HB GLU 20 2HB GLU 20 -0.756 -7.107 10.029 227 2HB GLU 20 1HB GLU 20 -2.494 -6.820 10.134 228 1HG GLU 20 2HG GLU 20 -3.026 -8.983 9.570 229 2HG GLU 20 1HG GLU 20 -1.615 -9.168 8.526 230 QB GLU 20 QB GLU 20 -1.625 -6.963 10.082 231 QG GLU 20 QG GLU 20 -2.321 -9.076 9.048 232 H ALA 21 H ALA 21 -3.630 -7.527 6.709 233 HA ALA 21 HA ALA 21 -5.546 -5.424 7.527 234 1HB ALA 21 1HB ALA 21 -4.430 -5.764 4.724 235 2HB ALA 21 3HB ALA 21 -5.832 -4.765 5.112 236 3HB ALA 21 2HB ALA 21 -4.248 -4.353 5.769 237 QB ALA 21 QB ALA 21 -4.837 -4.961 5.202 238 H VAL 22 H VAL 22 -7.730 -5.907 6.699 239 HA VAL 22 HA VAL 22 -8.501 -8.617 6.836 240 HB VAL 22 HB VAL 22 -9.965 -6.672 7.220 241 1HG1 VAL 22 1HG1 VAL 22 -8.872 -5.510 5.099 242 2HG1 VAL 22 3HG1 VAL 22 -10.239 -6.248 4.266 243 3HG1 VAL 22 2HG1 VAL 22 -10.518 -5.116 5.589 244 1HG2 VAL 22 3HG2 VAL 22 -10.899 -8.416 4.917 245 2HG2 VAL 22 2HG2 VAL 22 -11.017 -8.820 6.629 246 3HG2 VAL 22 1HG2 VAL 22 -11.949 -7.473 5.974 247 QG1 VAL 22 QG1 VAL 22 -9.877 -5.625 4.985 248 QG2 VAL 22 QG2 VAL 22 -11.288 -8.236 5.840 249 QQG VAL 22 QQG VAL 22 -10.582 -6.931 5.412 250 H ASP 23 H ASP 23 -7.601 -6.633 4.068 251 HA ASP 23 HA ASP 23 -7.092 -8.972 2.405 252 1HB ASP 23 2HB ASP 23 -8.825 -8.328 0.694 253 2HB ASP 23 1HB ASP 23 -9.521 -8.880 2.214 254 QB ASP 23 QB ASP 23 -9.173 -8.604 1.454 255 H ALA 24 H ALA 24 -6.784 -7.957 -0.038 256 HA ALA 24 HA ALA 24 -4.633 -6.047 0.221 257 1HB ALA 24 2HB ALA 24 -5.420 -7.897 -1.611 258 2HB ALA 24 1HB ALA 24 -5.974 -6.422 -2.403 259 3HB ALA 24 3HB ALA 24 -4.273 -6.606 -1.973 260 QB ALA 24 QB ALA 24 -5.222 -6.975 -1.996 261 H ALA 25 H ALA 25 -8.069 -5.786 -0.513 262 HA ALA 25 HA ALA 25 -8.170 -3.185 -1.621 263 1HB ALA 25 2HB ALA 25 -9.949 -5.130 -0.338 264 2HB ALA 25 1HB ALA 25 -10.459 -3.463 -0.072 265 3HB ALA 25 3HB ALA 25 -10.260 -4.072 -1.715 266 QB ALA 25 QB ALA 25 -10.223 -4.222 -0.708 267 H GLU 26 H GLU 26 -8.340 -4.239 1.783 268 HA GLU 26 HA GLU 26 -8.501 -1.564 2.891 269 1HB GLU 26 2HB GLU 26 -9.211 -3.740 3.963 270 2HB GLU 26 1HB GLU 26 -7.504 -4.146 4.145 271 1HG GLU 26 2HG GLU 26 -7.895 -3.154 6.200 272 2HG GLU 26 1HG GLU 26 -7.412 -1.736 5.269 273 QB GLU 26 QB GLU 26 -8.358 -3.943 4.054 274 QG GLU 26 QG GLU 26 -7.654 -2.445 5.734 275 H ALA 27 H ALA 27 -5.852 -3.862 2.273 276 HA ALA 27 HA ALA 27 -3.710 -2.441 3.501 277 1HB ALA 27 2HB ALA 27 -4.087 -4.465 1.350 278 2HB ALA 27 1HB ALA 27 -2.533 -3.625 1.365 279 3HB ALA 27 3HB ALA 27 -3.065 -4.530 2.785 280 QB ALA 27 QB ALA 27 -3.228 -4.207 1.834 281 H GLU 28 H GLU 28 -4.968 -2.270 0.156 282 HA GLU 28 HA GLU 28 -3.185 -0.283 -0.844 283 1HB GLU 28 2HB GLU 28 -5.013 -1.793 -1.966 284 2HB GLU 28 1HB GLU 28 -6.101 -0.455 -1.598 285 1HG GLU 28 2HG GLU 28 -4.182 0.996 -2.700 286 2HG GLU 28 1HG GLU 28 -3.761 -0.530 -3.479 287 QB GLU 28 QB GLU 28 -5.557 -1.124 -1.782 288 QG GLU 28 QG GLU 28 -3.972 0.233 -3.089 289 H LYS 29 H LYS 29 -6.193 -0.033 1.028 290 HA LYS 29 HA LYS 29 -6.415 2.862 0.871 291 1HB LYS 29 2HB LYS 29 -7.514 0.700 2.687 292 2HB LYS 29 1HB LYS 29 -7.951 2.399 2.868 293 1HG LYS 29 2HG LYS 29 -8.351 2.072 0.193 294 2HG LYS 29 1HG LYS 29 -8.751 0.457 0.778 295 1HD LYS 29 2HD LYS 29 -10.773 1.800 0.796 296 2HD LYS 29 1HD LYS 29 -10.279 1.513 2.466 297 1HE LYS 29 2HE LYS 29 -9.837 3.725 2.839 298 2HE LYS 29 1HE LYS 29 -9.118 3.946 1.231 299 1HZ LYS 29 3HZ LYS 29 -12.020 3.608 1.778 300 2HZ LYS 29 2HZ LYS 29 -11.262 5.085 1.422 301 3HZ LYS 29 1HZ LYS 29 -11.315 3.852 0.255 302 QB LYS 29 QB LYS 29 -7.732 1.549 2.777 303 QG LYS 29 QG LYS 29 -8.551 1.265 0.485 304 QD LYS 29 QD LYS 29 -10.526 1.656 1.631 305 QE LYS 29 QE LYS 29 -9.477 3.835 2.035 306 QZ LYS 29 QZ LYS 29 -11.532 4.182 1.151 307 H ILE 30 H ILE 30 -5.285 0.617 3.425 308 HA ILE 30 HA ILE 30 -4.348 2.561 5.292 309 HB ILE 30 HB ILE 30 -3.322 -0.226 4.621 310 1HG1 ILE 30 2HG1 ILE 30 -5.150 0.426 6.910 311 2HG1 ILE 30 1HG1 ILE 30 -5.836 0.263 5.293 312 1HG2 ILE 30 2HG2 ILE 30 -2.753 1.705 6.832 313 2HG2 ILE 30 1HG2 ILE 30 -2.870 -0.006 7.245 314 3HG2 ILE 30 3HG2 ILE 30 -1.681 0.537 6.061 315 1HD1 ILE 30 1HD1 ILE 30 -3.920 -1.857 6.098 316 2HD1 ILE 30 3HD1 ILE 30 -5.458 -1.842 6.962 317 3HD1 ILE 30 2HD1 ILE 30 -5.436 -1.987 5.205 318 QG1 ILE 30 QG1 ILE 30 -5.493 0.345 6.102 319 QG2 ILE 30 QG2 ILE 30 -2.435 0.745 6.713 320 QD1 ILE 30 QD1 ILE 30 -4.938 -1.896 6.088 321 H PHE 31 H PHE 31 -2.876 1.085 2.447 322 HA PHE 31 HA PHE 31 -0.251 2.311 2.801 323 1HB PHE 31 2HB PHE 31 -1.752 0.774 0.689 324 2HB PHE 31 1HB PHE 31 -0.237 1.567 0.263 325 HD1 PHE 31 2HD PHE 31 1.452 1.264 2.588 326 HD2 PHE 31 1HD PHE 31 -1.378 -1.506 0.925 327 HE1 PHE 31 2HE PHE 31 2.721 -0.622 3.579 328 HE2 PHE 31 1HE PHE 31 -0.108 -3.395 1.915 329 1HZ PHE 31 HZ PHE 31 1.941 -2.952 3.241 330 QB PHE 31 QB PHE 31 -0.995 1.170 0.476 331 QG PHE 31 QD PHE 31 0.037 -0.121 1.757 332 QZ PHE 31 QE PHE 31 1.306 -2.009 2.747 333 QZ PHE 31 QR PHE 31 0.926 -1.442 2.450 334 H LYS 32 H LYS 32 -3.232 3.037 1.022 335 HA LYS 32 HA LYS 32 -2.134 5.347 -0.343 336 1HB LYS 32 2HB LYS 32 -4.835 4.071 -0.034 337 2HB LYS 32 1HB LYS 32 -4.659 5.626 -0.844 338 1HG LYS 32 2HG LYS 32 -3.190 4.710 -2.497 339 2HG LYS 32 1HG LYS 32 -3.023 3.200 -1.601 340 1HD LYS 32 2HD LYS 32 -4.575 2.815 -3.418 341 2HD LYS 32 1HD LYS 32 -5.491 2.823 -1.912 342 1HE LYS 32 2HE LYS 32 -6.824 4.390 -2.885 343 2HE LYS 32 1HE LYS 32 -5.462 5.516 -2.718 344 1HZ LYS 32 2HZ LYS 32 -5.823 3.615 -4.976 345 2HZ LYS 32 1HZ LYS 32 -6.201 5.270 -5.043 346 3HZ LYS 32 3HZ LYS 32 -4.592 4.777 -4.821 347 QB LYS 32 QB LYS 32 -4.747 4.848 -0.439 348 QG LYS 32 QG LYS 32 -3.107 3.955 -2.049 349 QD LYS 32 QD LYS 32 -5.033 2.819 -2.665 350 QE LYS 32 QE LYS 32 -6.143 4.953 -2.801 351 QZ LYS 32 QZ LYS 32 -5.538 4.554 -4.946 352 H GLN 33 H GLN 33 -2.788 4.958 2.870 353 HA GLN 33 HA GLN 33 -3.880 7.759 3.177 354 1HB GLN 33 2HB GLN 33 -5.240 5.943 4.193 355 2HB GLN 33 1HB GLN 33 -3.817 5.350 5.049 356 1HG GLN 33 2HG GLN 33 -4.463 8.221 5.443 357 2HG GLN 33 1HG GLN 33 -5.595 7.072 6.155 358 1HE2 GLN 33 2HE2 GLN 33 -2.870 5.573 8.173 359 2HE2 GLN 33 1HE2 GLN 33 -4.035 5.017 7.070 360 QB GLN 33 QB GLN 33 -4.529 5.646 4.621 361 QG GLN 33 QG GLN 33 -5.029 7.647 5.799 362 QE2 GLN 33 QE2 GLN 33 -3.452 5.295 7.621 363 H TYR 34 H TYR 34 -1.667 5.320 4.319 364 HA TYR 34 HA TYR 34 0.095 6.762 5.993 365 1HB TYR 34 2HB TYR 34 0.134 4.398 5.884 366 2HB TYR 34 1HB TYR 34 0.103 4.398 4.116 367 HD1 TYR 34 2HD TYR 34 2.218 4.897 7.136 368 HD2 TYR 34 1HD TYR 34 2.182 4.581 2.852 369 HE1 TYR 34 2HE TYR 34 4.689 4.694 7.132 370 HE2 TYR 34 1HE TYR 34 4.655 4.380 2.848 371 HH TYR 34 HH TYR 34 6.456 3.798 5.680 372 QB TYR 34 QB TYR 34 0.118 4.398 5.000 373 QG TYR 34 QD TYR 34 2.200 4.739 4.994 374 QZ TYR 34 QE TYR 34 4.672 4.537 4.990 375 QR TYR 34 QR TYR 34 3.436 4.638 4.992 376 H ALA 35 H ALA 35 0.113 6.237 2.465 377 HA ALA 35 HA ALA 35 2.537 7.571 1.766 378 1HB ALA 35 1HB ALA 35 -0.081 6.915 0.436 379 2HB ALA 35 3HB ALA 35 1.086 7.928 -0.416 380 3HB ALA 35 2HB ALA 35 1.530 6.293 0.082 381 QB ALA 35 QB ALA 35 0.845 7.045 0.034 382 H ASN 36 H ASN 36 -0.814 8.830 1.928 383 HA ASN 36 HA ASN 36 -0.314 11.503 1.125 384 1HB ASN 36 2HB ASN 36 -2.323 10.064 2.807 385 2HB ASN 36 1HB ASN 36 -2.359 11.825 2.778 386 1HD2 ASN 36 2HD2 ASN 36 -2.881 9.970 -0.863 387 2HD2 ASN 36 1HD2 ASN 36 -1.742 9.339 0.225 388 QB ASN 36 QB ASN 36 -2.341 10.945 2.792 389 QD2 ASN 36 QD2 ASN 36 -2.311 9.654 -0.319 390 H ASP 37 H ASP 37 -0.390 10.162 4.445 391 HA ASP 37 HA ASP 37 0.226 12.524 5.867 392 1HB ASP 37 2HB ASP 37 0.629 9.582 6.276 393 2HB ASP 37 1HB ASP 37 1.305 10.710 7.453 394 QB ASP 37 QB ASP 37 0.967 10.146 6.865 395 H ASN 38 H ASN 38 2.289 10.526 3.929 396 HA ASN 38 HA ASN 38 4.723 11.822 4.963 397 1HB ASN 38 2HB ASN 38 3.997 9.336 3.502 398 2HB ASN 38 1HB ASN 38 5.598 10.007 3.186 399 1HD2 ASN 38 2HD2 ASN 38 6.652 9.579 6.648 400 2HD2 ASN 38 1HD2 ASN 38 6.765 10.710 5.387 401 QB ASN 38 QB ASN 38 4.797 9.671 3.344 402 QD2 ASN 38 QD2 ASN 38 6.708 10.144 6.018 403 H GLY 39 H GLY 39 2.616 11.755 2.177 404 1HA GLY 39 2HA GLY 39 2.622 13.640 0.610 405 2HA GLY 39 1HA GLY 39 4.364 13.782 0.856 406 QA GLY 39 QA GLY 39 3.493 13.711 0.733 407 H ILE 40 H ILE 40 2.756 10.697 0.415 408 HA ILE 40 HA ILE 40 4.362 10.236 -2.040 409 HB ILE 40 HB ILE 40 3.059 8.658 0.139 410 1HG1 ILE 40 2HG1 ILE 40 5.270 7.476 0.013 411 2HG1 ILE 40 1HG1 ILE 40 5.731 8.617 -1.254 412 1HG2 ILE 40 1HG2 ILE 40 2.236 7.611 -2.021 413 2HG2 ILE 40 3HG2 ILE 40 3.927 7.297 -2.413 414 3HG2 ILE 40 2HG2 ILE 40 3.195 6.559 -0.985 415 1HD1 ILE 40 1HD1 ILE 40 4.716 9.487 1.452 416 2HD1 ILE 40 3HD1 ILE 40 6.435 9.275 1.096 417 3HD1 ILE 40 2HD1 ILE 40 5.494 10.482 0.214 418 QG1 ILE 40 QG1 ILE 40 5.501 8.047 -0.620 419 QG2 ILE 40 QG2 ILE 40 3.120 7.156 -1.806 420 QD1 ILE 40 QD1 ILE 40 5.548 9.748 0.921 421 H ASP 41 H ASP 41 3.268 11.020 -3.784 422 HA ASP 41 HA ASP 41 0.516 9.975 -4.289 423 1HB ASP 41 2HB ASP 41 -0.198 12.277 -4.920 424 2HB ASP 41 1HB ASP 41 0.276 12.170 -3.227 425 QB ASP 41 QB ASP 41 0.039 12.224 -4.074 426 H GLY 42 H GLY 42 0.868 8.838 -6.152 427 1HA GLY 42 2HA GLY 42 1.630 10.249 -8.579 428 2HA GLY 42 1HA GLY 42 2.847 9.078 -8.075 429 QA GLY 42 QA GLY 42 2.238 9.663 -8.327 430 H GLU 43 H GLU 43 2.514 6.947 -8.608 431 HA GLU 43 HA GLU 43 -0.125 6.255 -9.865 432 1HB GLU 43 2HB GLU 43 2.391 6.146 -10.877 433 2HB GLU 43 1HB GLU 43 2.270 4.524 -10.192 434 1HG GLU 43 2HG GLU 43 0.470 3.935 -11.567 435 2HG GLU 43 1HG GLU 43 0.020 5.615 -11.863 436 QB GLU 43 QB GLU 43 2.330 5.335 -10.535 437 QG GLU 43 QG GLU 43 0.245 4.775 -11.715 438 H TRP 44 H TRP 44 -0.562 3.763 -9.651 439 HA TRP 44 HA TRP 44 0.305 2.557 -7.063 440 1HB TRP 44 2HB TRP 44 -2.409 3.694 -7.716 441 2HB TRP 44 1HB TRP 44 -2.298 2.268 -6.679 442 HD1 TRP 44 HD TRP 44 -1.428 5.978 -6.770 443 HE1 TRP 44 1HE TRP 44 -0.793 6.721 -4.386 444 HE3 TRP 44 3HE TRP 44 -1.360 1.445 -4.465 445 HZ2 TRP 44 2HZ TRP 44 -0.312 5.533 -1.827 446 HZ3 TRP 44 3HZ TRP 44 -0.804 1.271 -2.048 447 HH2 TRP 44 HH TRP 44 -0.278 3.312 -0.735 448 QB TRP 44 QB TRP 44 -2.353 2.981 -7.198 449 H THR 45 H THR 45 0.474 0.383 -7.378 450 HA THR 45 HA THR 45 -1.342 -0.954 -9.333 451 HB THR 45 HB THR 45 0.453 -1.923 -10.549 452 HG1 THR 45 1HG THR 45 2.146 -2.485 -9.491 453 1HG2 THR 45 2HG2 THR 45 0.149 0.482 -11.048 454 2HG2 THR 45 1HG2 THR 45 1.386 0.867 -9.848 455 3HG2 THR 45 3HG2 THR 45 1.816 -0.037 -11.303 456 QG2 THR 45 QG2 THR 45 1.117 0.437 -10.733 457 H TYR 46 H TYR 46 -2.034 -2.878 -8.531 458 HA TYR 46 HA TYR 46 -0.829 -3.831 -5.977 459 1HB TYR 46 2HB TYR 46 -3.195 -3.374 -5.921 460 2HB TYR 46 1HB TYR 46 -3.468 -4.303 -7.398 461 HD1 TYR 46 2HD TYR 46 -1.658 -4.910 -4.162 462 HD2 TYR 46 1HD TYR 46 -4.541 -6.338 -7.005 463 HE1 TYR 46 2HE TYR 46 -1.956 -6.972 -2.822 464 HE2 TYR 46 1HE TYR 46 -4.832 -8.408 -5.668 465 HH TYR 46 HH TYR 46 -3.076 -9.673 -3.834 466 QB TYR 46 QB TYR 46 -3.332 -3.839 -6.659 467 QG TYR 46 QD TYR 46 -3.100 -5.624 -5.583 468 QZ TYR 46 QE TYR 46 -3.394 -7.690 -4.245 469 QR TYR 46 QR TYR 46 -3.247 -6.657 -4.914 470 H ASP 47 H ASP 47 -0.024 -5.939 -5.787 471 HA ASP 47 HA ASP 47 0.255 -7.493 -8.338 472 1HB ASP 47 2HB ASP 47 2.230 -6.377 -6.928 473 2HB ASP 47 1HB ASP 47 2.055 -7.846 -5.969 474 QB ASP 47 QB ASP 47 2.142 -7.111 -6.448 475 H ASP 48 H ASP 48 -1.528 -8.878 -8.105 476 HA ASP 48 HA ASP 48 -2.315 -10.122 -5.623 477 1HB ASP 48 2HB ASP 48 -3.762 -11.457 -7.145 478 2HB ASP 48 1HB ASP 48 -3.826 -9.734 -7.513 479 QB ASP 48 QB ASP 48 -3.794 -10.595 -7.329 480 H ALA 49 H ALA 49 0.385 -10.751 -7.554 481 HA ALA 49 HA ALA 49 0.425 -13.671 -7.103 482 1HB ALA 49 2HB ALA 49 1.797 -11.630 -8.748 483 2HB ALA 49 1HB ALA 49 2.834 -12.945 -8.195 484 3HB ALA 49 3HB ALA 49 1.391 -13.300 -9.143 485 QB ALA 49 QB ALA 49 2.007 -12.625 -8.695 486 H THR 50 H THR 50 1.796 -10.695 -5.825 487 HA THR 50 HA THR 50 3.295 -12.312 -3.792 488 HB THR 50 HB THR 50 4.980 -10.464 -3.896 489 HG1 THR 50 1HG THR 50 3.491 -8.889 -4.694 490 1HG2 THR 50 3HG2 THR 50 4.872 -12.592 -5.446 491 2HG2 THR 50 2HG2 THR 50 4.564 -11.404 -6.712 492 3HG2 THR 50 1HG2 THR 50 6.053 -11.324 -5.771 493 QG2 THR 50 QG2 THR 50 5.163 -11.773 -5.976 494 H LYS 51 H LYS 51 0.635 -10.433 -4.179 495 HA LYS 51 HA LYS 51 -0.633 -9.047 -2.754 496 1HB LYS 51 2HB LYS 51 1.220 -10.376 -0.744 497 2HB LYS 51 1HB LYS 51 -0.291 -9.559 -0.345 498 1HG LYS 51 2HG LYS 51 -0.458 -11.641 -2.458 499 2HG LYS 51 1HG LYS 51 -0.138 -12.220 -0.823 500 1HD LYS 51 2HD LYS 51 -2.094 -10.731 -0.082 501 2HD LYS 51 1HD LYS 51 -2.495 -10.600 -1.795 502 1HE LYS 51 2HE LYS 51 -2.669 -13.058 -1.958 503 2HE LYS 51 1HE LYS 51 -2.258 -13.201 -0.238 504 1HZ LYS 51 2HZ LYS 51 -4.505 -11.556 -1.267 505 2HZ LYS 51 1HZ LYS 51 -4.694 -13.144 -0.694 506 3HZ LYS 51 3HZ LYS 51 -4.160 -11.922 0.356 507 QB LYS 51 QB LYS 51 0.465 -9.968 -0.545 508 QG LYS 51 QG LYS 51 -0.298 -11.931 -1.641 509 QD LYS 51 QD LYS 51 -2.295 -10.665 -0.938 510 QE LYS 51 QE LYS 51 -2.463 -13.130 -1.098 511 QZ LYS 51 QZ LYS 51 -4.453 -12.207 -0.535 512 H THR 52 H THR 52 1.618 -7.811 -4.026 513 HA THR 52 HA THR 52 2.427 -5.828 -1.911 514 HB THR 52 HB THR 52 3.980 -6.845 -4.315 515 HG1 THR 52 1HG THR 52 4.212 -8.412 -2.900 516 1HG2 THR 52 1HG2 THR 52 4.444 -4.693 -2.294 517 2HG2 THR 52 3HG2 THR 52 5.831 -5.647 -2.821 518 3HG2 THR 52 2HG2 THR 52 4.884 -4.742 -4.001 519 QG2 THR 52 QG2 THR 52 5.053 -5.027 -3.039 520 H PHE 53 H PHE 53 2.028 -3.694 -2.420 521 HA PHE 53 HA PHE 53 0.715 -3.103 -5.011 522 1HB PHE 53 2HB PHE 53 1.051 -1.681 -2.367 523 2HB PHE 53 1HB PHE 53 0.268 -0.917 -3.749 524 HD1 PHE 53 2HD PHE 53 0.091 -3.773 -1.376 525 HD2 PHE 53 1HD PHE 53 -1.976 -1.511 -4.397 526 HE1 PHE 53 2HE PHE 53 -2.033 -4.927 -0.793 527 HE2 PHE 53 1HE PHE 53 -4.086 -2.666 -3.809 528 1HZ PHE 53 HZ PHE 53 -4.116 -4.373 -2.011 529 QB PHE 53 QB PHE 53 0.659 -1.299 -3.058 530 QG PHE 53 QD PHE 53 -0.942 -2.642 -2.886 531 QZ PHE 53 QE PHE 53 -3.060 -3.797 -2.301 532 QZ PHE 53 QR PHE 53 -2.424 -3.450 -2.477 533 H THR 54 H THR 54 1.397 -0.438 -5.491 534 HA THR 54 HA THR 54 4.317 -0.090 -5.290 535 HB THR 54 HB THR 54 3.134 -0.129 -8.054 536 HG1 THR 54 1HG THR 54 4.135 -2.394 -6.670 537 1HG2 THR 54 3HG2 THR 54 5.866 -0.690 -6.878 538 2HG2 THR 54 2HG2 THR 54 5.478 -0.825 -8.593 539 3HG2 THR 54 1HG2 THR 54 5.379 0.741 -7.787 540 QG2 THR 54 QG2 THR 54 5.574 -0.258 -7.753 541 H VAL 55 H VAL 55 3.761 1.871 -4.284 542 HA VAL 55 HA VAL 55 2.012 3.734 -5.770 543 HB VAL 55 HB VAL 55 1.456 3.460 -3.466 544 1HG1 VAL 55 1HG1 VAL 55 4.386 4.011 -2.905 545 2HG1 VAL 55 3HG1 VAL 55 3.132 4.040 -1.664 546 3HG1 VAL 55 2HG1 VAL 55 3.465 2.545 -2.536 547 1HG2 VAL 55 1HG2 VAL 55 1.362 5.784 -4.326 548 2HG2 VAL 55 3HG2 VAL 55 1.685 5.735 -2.592 549 3HG2 VAL 55 2HG2 VAL 55 2.997 6.056 -3.726 550 QG1 VAL 55 QG1 VAL 55 3.661 3.532 -2.369 551 QG2 VAL 55 QG2 VAL 55 2.015 5.858 -3.548 552 QQG VAL 55 QQG VAL 55 2.838 4.695 -2.958 553 H THR 56 H THR 56 3.042 4.830 -7.308 554 HA THR 56 HA THR 56 5.838 5.731 -6.981 555 HB THR 56 HB THR 56 3.753 5.488 -9.138 556 HG1 THR 56 1HG THR 56 5.030 3.871 -9.413 557 1HG2 THR 56 1HG2 THR 56 6.221 7.238 -9.362 558 2HG2 THR 56 3HG2 THR 56 5.255 6.692 -10.733 559 3HG2 THR 56 2HG2 THR 56 4.541 7.757 -9.522 560 QG2 THR 56 QG2 THR 56 5.339 7.229 -9.873 561 H GLU 57 H GLU 57 6.214 8.138 -7.597 562 HA GLU 57 HA GLU 57 4.042 9.851 -6.423 563 1HB GLU 57 2HB GLU 57 6.021 9.475 -4.957 564 2HB GLU 57 1HB GLU 57 7.061 10.127 -6.224 565 1HG GLU 57 2HG GLU 57 6.011 12.291 -6.079 566 2HG GLU 57 1HG GLU 57 4.757 11.668 -5.006 567 QB GLU 57 QB GLU 57 6.541 9.801 -5.590 568 QG GLU 57 QG GLU 57 5.384 11.980 -5.543 No H/Q in entry = 568 Start of MODEL 3 1 1H MET 1 2HT MET 1 -3.953 -13.463 8.161 2 2H MET 1 1HT MET 1 -3.067 -14.266 9.369 3 3H MET 1 3HT MET 1 -2.706 -12.654 8.983 4 HA MET 1 HA MET 1 -1.030 -13.952 7.951 5 1HB MET 1 2HB MET 1 -1.719 -15.904 6.563 6 2HB MET 1 1HB MET 1 -2.253 -16.065 8.236 7 1HG MET 1 2HG MET 1 -4.497 -15.307 7.632 8 2HG MET 1 1HG MET 1 -3.980 -15.021 5.970 9 1HE MET 1 2HE MET 1 -3.408 -16.314 4.431 10 2HE MET 1 1HE MET 1 -2.592 -17.849 4.718 11 3HE MET 1 3HE MET 1 -4.245 -17.825 4.090 12 QB MET 1 QB MET 1 -1.986 -15.985 7.400 13 QG MET 1 QG MET 1 -4.238 -15.164 6.801 14 QE MET 1 QE MET 1 -3.415 -17.329 4.413 15 H THR 2 H THR 2 -2.414 -11.524 7.307 16 HA THR 2 HA THR 2 -2.298 -11.613 4.310 17 HB THR 2 HB THR 2 -4.208 -10.041 6.073 18 HG1 THR 2 1HG THR 2 -4.675 -12.253 6.055 19 1HG2 THR 2 3HG2 THR 2 -3.649 -10.142 3.143 20 2HG2 THR 2 2HG2 THR 2 -5.328 -9.977 3.653 21 3HG2 THR 2 1HG2 THR 2 -4.135 -8.776 4.146 22 QG2 THR 2 QG2 THR 2 -4.371 -9.632 3.647 23 H THR 3 H THR 3 -0.051 -10.945 5.803 24 HA THR 3 HA THR 3 0.153 -8.122 6.424 25 HB THR 3 HB THR 3 2.438 -9.938 5.654 26 HG1 THR 3 1HG THR 3 2.286 -10.816 7.737 27 1HG2 THR 3 2HG2 THR 3 2.604 -7.454 6.437 28 2HG2 THR 3 1HG2 THR 3 2.244 -8.111 8.033 29 3HG2 THR 3 3HG2 THR 3 3.681 -8.647 7.163 30 QG2 THR 3 QG2 THR 3 2.843 -8.070 7.211 31 H PHE 4 H PHE 4 -0.795 -7.226 4.407 32 HA PHE 4 HA PHE 4 0.389 -7.598 1.809 33 1HB PHE 4 2HB PHE 4 -1.469 -5.704 3.178 34 2HB PHE 4 1HB PHE 4 -0.784 -5.188 1.637 35 HD1 PHE 4 1HD PHE 4 -0.818 -7.002 -0.276 36 HD2 PHE 4 2HD PHE 4 -3.391 -7.038 3.159 37 HE1 PHE 4 1HE PHE 4 -2.407 -8.468 -1.484 38 HE2 PHE 4 2HE PHE 4 -4.985 -8.502 1.948 39 1HZ PHE 4 HZ PHE 4 -4.493 -9.218 -0.373 40 QB PHE 4 QB PHE 4 -1.127 -5.446 2.407 41 QG PHE 4 QD PHE 4 -2.104 -7.020 1.442 42 QZ PHE 4 QE PHE 4 -3.696 -8.485 0.232 43 QZ PHE 4 QR PHE 4 -3.219 -8.046 0.595 44 H LYS 5 H LYS 5 1.995 -6.392 0.752 45 HA LYS 5 HA LYS 5 3.653 -4.618 2.505 46 1HB LYS 5 2HB LYS 5 4.271 -6.237 0.010 47 2HB LYS 5 1HB LYS 5 5.445 -5.258 0.885 48 1HG LYS 5 2HG LYS 5 5.860 -7.142 2.080 49 2HG LYS 5 1HG LYS 5 4.348 -6.777 2.908 50 1HD LYS 5 2HD LYS 5 3.767 -8.873 2.211 51 2HD LYS 5 1HD LYS 5 3.394 -8.044 0.698 52 1HE LYS 5 2HE LYS 5 4.836 -9.604 -0.187 53 2HE LYS 5 1HE LYS 5 6.081 -8.480 0.393 54 1HZ LYS 5 2HZ LYS 5 6.046 -9.625 2.537 55 2HZ LYS 5 1HZ LYS 5 4.909 -10.736 1.936 56 3HZ LYS 5 3HZ LYS 5 6.473 -10.688 1.282 57 QB LYS 5 QB LYS 5 4.858 -5.748 0.447 58 QG LYS 5 QG LYS 5 5.104 -6.959 2.494 59 QD LYS 5 QD LYS 5 3.580 -8.458 1.454 60 QE LYS 5 QE LYS 5 5.458 -9.042 0.103 61 QZ LYS 5 QZ LYS 5 5.809 -10.349 1.918 62 H LEU 6 H LEU 6 4.987 -3.008 0.936 63 HA LEU 6 HA LEU 6 3.372 -1.979 -1.312 64 1HB LEU 6 2HB LEU 6 2.270 -1.104 0.723 65 2HB LEU 6 1HB LEU 6 3.806 -0.429 1.266 66 HG LEU 6 HG LEU 6 3.746 0.736 -1.128 67 1HD1 LEU 6 2HD1 LEU 6 1.012 -0.311 -0.706 68 2HD1 LEU 6 1HD1 LEU 6 1.095 1.390 -1.167 69 3HD1 LEU 6 3HD1 LEU 6 1.822 0.161 -2.200 70 1HD2 LEU 6 1HD2 LEU 6 3.519 1.635 1.366 71 2HD2 LEU 6 3HD2 LEU 6 3.166 2.683 -0.009 72 3HD2 LEU 6 2HD2 LEU 6 1.850 1.911 0.869 73 QB LEU 6 QB LEU 6 3.038 -0.766 0.994 74 QD1 LEU 6 QD1 LEU 6 1.310 0.413 -1.358 75 QD2 LEU 6 QD2 LEU 6 2.845 2.077 0.742 76 QQD LEU 6 QQD LEU 6 2.077 1.245 -0.308 77 H ILE 7 H ILE 7 5.020 -1.715 -2.772 78 HA ILE 7 HA ILE 7 7.696 -0.810 -1.883 79 HB ILE 7 HB ILE 7 6.528 -1.591 -4.582 80 1HG1 ILE 7 2HG1 ILE 7 8.487 -3.206 -2.966 81 2HG1 ILE 7 1HG1 ILE 7 6.763 -3.303 -2.605 82 1HG2 ILE 7 1HG2 ILE 7 9.352 -0.979 -3.676 83 2HG2 ILE 7 3HG2 ILE 7 8.996 -1.873 -5.155 84 3HG2 ILE 7 2HG2 ILE 7 8.445 -0.206 -4.977 85 1HD1 ILE 7 1HD1 ILE 7 6.403 -3.751 -5.093 86 2HD1 ILE 7 3HD1 ILE 7 8.150 -3.971 -5.208 87 3HD1 ILE 7 2HD1 ILE 7 7.192 -5.042 -4.186 88 QG1 ILE 7 QG1 ILE 7 7.625 -3.255 -2.786 89 QG2 ILE 7 QG2 ILE 7 8.931 -1.019 -4.603 90 QD1 ILE 7 QD1 ILE 7 7.248 -4.255 -4.829 91 H ILE 8 H ILE 8 8.113 1.375 -1.840 92 HA ILE 8 HA ILE 8 6.218 3.201 -3.169 93 HB ILE 8 HB ILE 8 8.714 3.996 -1.681 94 1HG1 ILE 8 2HG1 ILE 8 7.222 2.283 -0.359 95 2HG1 ILE 8 1HG1 ILE 8 7.716 3.762 0.438 96 1HG2 ILE 8 1HG2 ILE 8 6.094 5.226 -2.460 97 2HG2 ILE 8 3HG2 ILE 8 6.945 5.844 -1.040 98 3HG2 ILE 8 2HG2 ILE 8 7.734 5.876 -2.614 99 1HD1 ILE 8 3HD1 ILE 8 5.185 4.043 -1.013 100 2HD1 ILE 8 2HD1 ILE 8 5.124 2.821 0.252 101 3HD1 ILE 8 1HD1 ILE 8 5.580 4.480 0.648 102 QG1 ILE 8 QG1 ILE 8 7.469 3.022 0.040 103 QG2 ILE 8 QG2 ILE 8 6.924 5.649 -2.038 104 QD1 ILE 8 QD1 ILE 8 5.296 3.781 -0.038 105 H ASN 9 H ASN 9 6.601 3.774 -5.272 106 HA ASN 9 HA ASN 9 9.411 3.714 -6.293 107 1HB ASN 9 2HB ASN 9 7.653 2.322 -7.379 108 2HB ASN 9 1HB ASN 9 6.734 3.789 -7.727 109 1HD2 ASN 9 2HD2 ASN 9 8.652 4.600 -10.568 110 2HD2 ASN 9 1HD2 ASN 9 7.299 4.948 -9.605 111 QB ASN 9 QB ASN 9 7.193 3.056 -7.553 112 QD2 ASN 9 QD2 ASN 9 7.976 4.774 -10.086 113 H GLY 10 H GLY 10 9.443 5.894 -4.940 114 1HA GLY 10 2HA GLY 10 9.297 8.081 -6.866 115 2HA GLY 10 1HA GLY 10 8.123 8.238 -5.558 116 QA GLY 10 QA GLY 10 8.710 8.159 -6.212 117 H LYS 11 H LYS 11 10.126 10.148 -5.820 118 HA LYS 11 HA LYS 11 12.533 9.682 -4.367 119 1HB LYS 11 2HB LYS 11 12.530 12.160 -4.157 120 2HB LYS 11 1HB LYS 11 12.085 11.646 -5.783 121 1HG LYS 11 2HG LYS 11 9.745 12.037 -5.349 122 2HG LYS 11 1HG LYS 11 10.054 12.304 -3.634 123 1HD LYS 11 2HD LYS 11 11.211 14.349 -4.059 124 2HD LYS 11 1HD LYS 11 11.301 14.017 -5.789 125 1HE LYS 11 2HE LYS 11 8.607 14.206 -4.450 126 2HE LYS 11 1HE LYS 11 9.464 15.681 -4.945 127 1HZ LYS 11 3HZ LYS 11 8.948 13.333 -6.693 128 2HZ LYS 11 2HZ LYS 11 8.083 14.794 -6.746 129 3HZ LYS 11 1HZ LYS 11 9.733 14.765 -7.151 130 QB LYS 11 QB LYS 11 12.308 11.903 -4.970 131 QG LYS 11 QG LYS 11 9.900 12.170 -4.491 132 QD LYS 11 QD LYS 11 11.256 14.183 -4.924 133 QE LYS 11 QE LYS 11 9.036 14.944 -4.697 134 QZ LYS 11 QZ LYS 11 8.921 14.297 -6.864 135 H THR 12 H THR 12 9.249 10.300 -3.267 136 HA THR 12 HA THR 12 10.115 10.667 -0.453 137 HB THR 12 HB THR 12 7.577 10.910 -0.203 138 HG1 THR 12 1HG THR 12 6.377 10.847 -1.994 139 1HG2 THR 12 2HG2 THR 12 9.445 12.714 -0.886 140 2HG2 THR 12 1HG2 THR 12 8.439 12.800 -2.332 141 3HG2 THR 12 3HG2 THR 12 7.738 13.133 -0.749 142 QG2 THR 12 QG2 THR 12 8.541 12.883 -1.322 143 H LEU 13 H LEU 13 10.163 8.966 0.958 144 HA LEU 13 HA LEU 13 9.878 6.815 1.864 145 1HB LEU 13 2HB LEU 13 7.350 7.447 0.429 146 2HB LEU 13 1HB LEU 13 7.614 5.748 0.804 147 HG LEU 13 HG LEU 13 7.751 8.012 2.814 148 1HD1 LEU 13 3HD1 LEU 13 5.604 6.083 1.967 149 2HD1 LEU 13 2HD1 LEU 13 5.675 6.619 3.649 150 3HD1 LEU 13 1HD1 LEU 13 5.470 7.801 2.354 151 1HD2 LEU 13 1HD2 LEU 13 8.123 5.018 2.967 152 2HD2 LEU 13 3HD2 LEU 13 9.150 6.287 3.632 153 3HD2 LEU 13 2HD2 LEU 13 7.592 5.936 4.375 154 QB LEU 13 QB LEU 13 7.482 6.597 0.617 155 QD1 LEU 13 QD1 LEU 13 5.583 6.834 2.657 156 QD2 LEU 13 QD2 LEU 13 8.289 5.747 3.658 157 QQD LEU 13 QQD LEU 13 6.936 6.291 3.157 158 H LYS 14 H LYS 14 11.004 5.008 1.292 159 HA LYS 14 HA LYS 14 10.687 3.847 -1.389 160 1HB LYS 14 2HB LYS 14 13.316 4.777 -0.202 161 2HB LYS 14 1HB LYS 14 13.147 3.902 -1.724 162 1HG LYS 14 2HG LYS 14 11.605 5.780 -2.487 163 2HG LYS 14 1HG LYS 14 12.137 6.674 -1.063 164 1HD LYS 14 2HD LYS 14 14.042 5.525 -3.120 165 2HD LYS 14 1HD LYS 14 13.451 7.186 -3.163 166 1HE LYS 14 2HE LYS 14 14.446 7.656 -0.988 167 2HE LYS 14 1HE LYS 14 14.927 5.957 -0.808 168 1HZ LYS 14 3HZ LYS 14 16.141 6.197 -2.950 169 2HZ LYS 14 2HZ LYS 14 15.832 7.866 -2.895 170 3HZ LYS 14 1HZ LYS 14 16.786 7.136 -1.694 171 QB LYS 14 QB LYS 14 13.232 4.339 -0.963 172 QG LYS 14 QG LYS 14 11.871 6.227 -1.775 173 QD LYS 14 QD LYS 14 13.746 6.355 -3.141 174 QE LYS 14 QE LYS 14 14.687 6.807 -0.898 175 QZ LYS 14 QZ LYS 14 16.253 7.066 -2.513 176 H GLY 15 H GLY 15 9.815 1.962 -0.347 177 1HA GLY 15 2HA GLY 15 11.659 -0.044 0.428 178 2HA GLY 15 1HA GLY 15 11.041 0.685 1.909 179 QA GLY 15 QA GLY 15 11.350 0.321 1.168 180 H GLU 16 H GLU 16 10.310 -1.697 2.030 181 HA GLU 16 HA GLU 16 7.598 -2.004 0.762 182 1HB GLU 16 2HB GLU 16 9.639 -3.516 0.157 183 2HB GLU 16 1HB GLU 16 9.385 -4.229 1.750 184 1HG GLU 16 2HG GLU 16 7.416 -5.226 1.143 185 2HG GLU 16 1HG GLU 16 6.971 -3.919 0.045 186 QB GLU 16 QB GLU 16 9.512 -3.872 0.954 187 QG GLU 16 QG GLU 16 7.193 -4.572 0.594 188 H ILE 17 H ILE 17 6.414 -1.125 2.533 189 HA ILE 17 HA ILE 17 6.920 -2.087 5.275 190 HB ILE 17 HB ILE 17 4.819 -0.266 4.047 191 1HG1 ILE 17 2HG1 ILE 17 6.427 1.337 5.519 192 2HG1 ILE 17 1HG1 ILE 17 7.599 0.106 5.045 193 1HG2 ILE 17 3HG2 ILE 17 5.447 -1.084 6.875 194 2HG2 ILE 17 2HG2 ILE 17 4.798 0.524 6.550 195 3HG2 ILE 17 1HG2 ILE 17 3.875 -0.908 6.094 196 1HD1 ILE 17 1HD1 ILE 17 5.764 1.232 2.958 197 2HD1 ILE 17 3HD1 ILE 17 7.151 2.189 3.480 198 3HD1 ILE 17 2HD1 ILE 17 7.398 0.589 2.781 199 QG1 ILE 17 QG1 ILE 17 7.013 0.722 5.282 200 QG2 ILE 17 QG2 ILE 17 4.707 -0.489 6.506 201 QD1 ILE 17 QD1 ILE 17 6.771 1.337 3.073 202 H THR 18 H THR 18 6.122 -4.060 5.838 203 HA THR 18 HA THR 18 3.811 -5.233 4.414 204 HB THR 18 HB THR 18 4.464 -7.220 5.750 205 HG1 THR 18 1HG THR 18 5.448 -6.864 7.546 206 1HG2 THR 18 1HG2 THR 18 6.156 -5.800 3.891 207 2HG2 THR 18 3HG2 THR 18 7.151 -6.671 5.058 208 3HG2 THR 18 2HG2 THR 18 5.956 -7.539 4.098 209 QG2 THR 18 QG2 THR 18 6.421 -6.670 4.349 210 H ILE 19 H ILE 19 1.755 -5.084 5.215 211 HA ILE 19 HA ILE 19 1.368 -4.760 8.161 212 HB ILE 19 HB ILE 19 -0.263 -2.945 7.694 213 1HG1 ILE 19 2HG1 ILE 19 0.263 -2.001 5.196 214 2HG1 ILE 19 1HG1 ILE 19 0.371 -3.735 4.900 215 1HG2 ILE 19 1HG2 ILE 19 2.321 -2.650 8.000 216 2HG2 ILE 19 3HG2 ILE 19 2.291 -2.191 6.297 217 3HG2 ILE 19 2HG2 ILE 19 1.355 -1.271 7.474 218 1HD1 ILE 19 3HD1 ILE 19 -1.866 -3.860 6.237 219 2HD1 ILE 19 2HD1 ILE 19 -1.977 -2.133 5.893 220 3HD1 ILE 19 1HD1 ILE 19 -1.912 -3.294 4.566 221 QG1 ILE 19 QG1 ILE 19 0.317 -2.868 5.048 222 QG2 ILE 19 QG2 ILE 19 1.989 -2.037 7.257 223 QD1 ILE 19 QD1 ILE 19 -1.918 -3.095 5.565 224 H GLU 20 H GLU 20 -0.315 -5.982 8.922 225 HA GLU 20 HA GLU 20 -1.677 -7.846 7.153 226 1HB GLU 20 2HB GLU 20 -0.920 -7.971 9.672 227 2HB GLU 20 1HB GLU 20 -2.491 -7.235 9.984 228 1HG GLU 20 2HG GLU 20 -3.668 -9.077 9.164 229 2HG GLU 20 1HG GLU 20 -2.315 -9.626 8.175 230 QB GLU 20 QB GLU 20 -1.706 -7.603 9.828 231 QG GLU 20 QG GLU 20 -2.991 -9.352 8.670 232 H ALA 21 H ALA 21 -3.968 -7.922 6.748 233 HA ALA 21 HA ALA 21 -5.751 -5.775 7.599 234 1HB ALA 21 1HB ALA 21 -4.279 -5.730 4.995 235 2HB ALA 21 3HB ALA 21 -5.952 -5.172 5.000 236 3HB ALA 21 2HB ALA 21 -4.758 -4.385 6.032 237 QB ALA 21 QB ALA 21 -4.996 -5.096 5.342 238 H VAL 22 H VAL 22 -7.935 -6.093 6.696 239 HA VAL 22 HA VAL 22 -8.851 -8.740 6.589 240 HB VAL 22 HB VAL 22 -10.232 -6.742 6.995 241 1HG1 VAL 22 3HG1 VAL 22 -8.981 -5.443 5.127 242 2HG1 VAL 22 2HG1 VAL 22 -10.159 -6.168 4.034 243 3HG1 VAL 22 1HG1 VAL 22 -10.700 -5.121 5.346 244 1HG2 VAL 22 1HG2 VAL 22 -11.055 -8.982 5.749 245 2HG2 VAL 22 3HG2 VAL 22 -12.151 -7.645 6.100 246 3HG2 VAL 22 2HG2 VAL 22 -11.447 -7.810 4.491 247 QG1 VAL 22 QG1 VAL 22 -9.947 -5.577 4.836 248 QG2 VAL 22 QG2 VAL 22 -11.551 -8.146 5.447 249 QQG VAL 22 QQG VAL 22 -10.749 -6.862 5.141 250 H ASP 23 H ASP 23 -7.896 -6.609 3.909 251 HA ASP 23 HA ASP 23 -7.347 -8.911 2.172 252 1HB ASP 23 2HB ASP 23 -9.846 -7.333 2.093 253 2HB ASP 23 1HB ASP 23 -9.054 -7.512 0.527 254 QB ASP 23 QB ASP 23 -9.450 -7.422 1.310 255 H ALA 24 H ALA 24 -6.755 -7.933 -0.132 256 HA ALA 24 HA ALA 24 -4.638 -6.040 0.221 257 1HB ALA 24 3HB ALA 24 -5.485 -7.807 -1.705 258 2HB ALA 24 2HB ALA 24 -5.852 -6.258 -2.466 259 3HB ALA 24 1HB ALA 24 -4.205 -6.616 -1.942 260 QB ALA 24 QB ALA 24 -5.180 -6.894 -2.037 261 H ALA 25 H ALA 25 -8.026 -5.673 -0.720 262 HA ALA 25 HA ALA 25 -8.027 -3.038 -1.723 263 1HB ALA 25 3HB ALA 25 -9.867 -4.911 -1.405 264 2HB ALA 25 2HB ALA 25 -10.196 -4.042 0.094 265 3HB ALA 25 1HB ALA 25 -10.342 -3.213 -1.456 266 QB ALA 25 QB ALA 25 -10.135 -4.055 -0.922 267 H GLU 26 H GLU 26 -8.281 -4.192 1.638 268 HA GLU 26 HA GLU 26 -8.496 -1.557 2.831 269 1HB GLU 26 2HB GLU 26 -8.764 -4.220 3.592 270 2HB GLU 26 1HB GLU 26 -7.312 -3.711 4.452 271 1HG GLU 26 2HG GLU 26 -9.213 -3.241 5.871 272 2HG GLU 26 1HG GLU 26 -8.592 -1.703 5.274 273 QB GLU 26 QB GLU 26 -8.038 -3.965 4.022 274 QG GLU 26 QG GLU 26 -8.902 -2.472 5.572 275 H ALA 27 H ALA 27 -5.802 -3.850 2.329 276 HA ALA 27 HA ALA 27 -3.702 -2.421 3.586 277 1HB ALA 27 2HB ALA 27 -4.034 -4.436 1.434 278 2HB ALA 27 1HB ALA 27 -2.504 -3.553 1.405 279 3HB ALA 27 3HB ALA 27 -2.974 -4.463 2.843 280 QB ALA 27 QB ALA 27 -3.171 -4.151 1.894 281 H GLU 28 H GLU 28 -4.894 -2.192 0.223 282 HA GLU 28 HA GLU 28 -3.102 -0.193 -0.721 283 1HB GLU 28 2HB GLU 28 -4.958 -1.683 -1.861 284 2HB GLU 28 1HB GLU 28 -6.002 -0.301 -1.525 285 1HG GLU 28 2HG GLU 28 -3.847 0.978 -2.578 286 2HG GLU 28 1HG GLU 28 -3.760 -0.549 -3.459 287 QB GLU 28 QB GLU 28 -5.480 -0.992 -1.693 288 QG GLU 28 QG GLU 28 -3.804 0.215 -3.019 289 H LYS 29 H LYS 29 -6.167 0.068 1.081 290 HA LYS 29 HA LYS 29 -6.360 2.959 0.965 291 1HB LYS 29 2HB LYS 29 -7.435 0.845 2.865 292 2HB LYS 29 1HB LYS 29 -7.933 2.536 2.902 293 1HG LYS 29 2HG LYS 29 -8.062 1.327 0.218 294 2HG LYS 29 1HG LYS 29 -9.137 0.568 1.390 295 1HD LYS 29 2HD LYS 29 -10.433 2.327 0.490 296 2HD LYS 29 1HD LYS 29 -9.842 2.974 2.020 297 1HE LYS 29 2HE LYS 29 -7.944 3.471 -0.151 298 2HE LYS 29 1HE LYS 29 -9.535 4.181 -0.482 299 1HZ LYS 29 3HZ LYS 29 -9.519 5.035 1.832 300 2HZ LYS 29 2HZ LYS 29 -7.909 4.512 1.982 301 3HZ LYS 29 1HZ LYS 29 -8.313 5.718 0.855 302 QB LYS 29 QB LYS 29 -7.684 1.691 2.884 303 QG LYS 29 QG LYS 29 -8.600 0.947 0.804 304 QD LYS 29 QD LYS 29 -10.138 2.650 1.255 305 QE LYS 29 QE LYS 29 -8.739 3.826 -0.316 306 QZ LYS 29 QZ LYS 29 -8.581 5.089 1.556 307 H ILE 30 H ILE 30 -5.228 0.702 3.504 308 HA ILE 30 HA ILE 30 -4.287 2.628 5.383 309 HB ILE 30 HB ILE 30 -3.294 -0.167 4.689 310 1HG1 ILE 30 2HG1 ILE 30 -5.254 0.747 6.821 311 2HG1 ILE 30 1HG1 ILE 30 -5.731 0.043 5.278 312 1HG2 ILE 30 3HG2 ILE 30 -2.007 1.621 6.320 313 2HG2 ILE 30 2HG2 ILE 30 -3.091 0.841 7.469 314 3HG2 ILE 30 1HG2 ILE 30 -1.949 -0.128 6.536 315 1HD1 ILE 30 1HD1 ILE 30 -3.921 -1.808 6.118 316 2HD1 ILE 30 3HD1 ILE 30 -4.565 -1.262 7.666 317 3HD1 ILE 30 2HD1 ILE 30 -5.651 -1.918 6.441 318 QG1 ILE 30 QG1 ILE 30 -5.492 0.395 6.049 319 QG2 ILE 30 QG2 ILE 30 -2.349 0.778 6.775 320 QD1 ILE 30 QD1 ILE 30 -4.712 -1.663 6.742 321 H PHE 31 H PHE 31 -2.732 1.090 2.594 322 HA PHE 31 HA PHE 31 -0.147 2.374 2.933 323 1HB PHE 31 2HB PHE 31 -1.628 0.874 0.770 324 2HB PHE 31 1HB PHE 31 -0.079 1.637 0.413 325 HD1 PHE 31 1HD PHE 31 1.546 1.259 2.746 326 HD2 PHE 31 2HD PHE 31 -1.345 -1.418 1.034 327 HE1 PHE 31 1HE PHE 31 2.729 -0.670 3.764 328 HE2 PHE 31 2HE PHE 31 -0.162 -3.344 2.052 329 1HZ PHE 31 HZ PHE 31 1.874 -2.972 3.416 330 QB PHE 31 QB PHE 31 -0.853 1.255 0.592 331 QG PHE 31 QD PHE 31 0.101 -0.080 1.890 332 QZ PHE 31 QE PHE 31 1.283 -2.007 2.908 333 QZ PHE 31 QR PHE 31 0.928 -1.429 2.602 334 H LYS 32 H LYS 32 -3.141 3.106 1.194 335 HA LYS 32 HA LYS 32 -2.090 5.386 -0.237 336 1HB LYS 32 2HB LYS 32 -4.766 4.131 0.245 337 2HB LYS 32 1HB LYS 32 -4.667 5.716 -0.521 338 1HG LYS 32 2HG LYS 32 -3.329 4.876 -2.315 339 2HG LYS 32 1HG LYS 32 -3.064 3.342 -1.485 340 1HD LYS 32 2HD LYS 32 -5.072 2.495 -2.142 341 2HD LYS 32 1HD LYS 32 -5.908 4.029 -1.899 342 1HE LYS 32 2HE LYS 32 -3.974 3.983 -4.155 343 2HE LYS 32 1HE LYS 32 -5.438 3.002 -4.367 344 1HZ LYS 32 3HZ LYS 32 -5.471 5.796 -3.369 345 2HZ LYS 32 2HZ LYS 32 -5.694 5.391 -5.004 346 3HZ LYS 32 1HZ LYS 32 -6.801 4.852 -3.833 347 QB LYS 32 QB LYS 32 -4.717 4.923 -0.138 348 QG LYS 32 QG LYS 32 -3.196 4.109 -1.900 349 QD LYS 32 QD LYS 32 -5.490 3.262 -2.021 350 QE LYS 32 QE LYS 32 -4.706 3.492 -4.261 351 QZ LYS 32 QZ LYS 32 -5.989 5.346 -4.069 352 H GLN 33 H GLN 33 -2.690 5.019 3.028 353 HA GLN 33 HA GLN 33 -3.605 7.880 3.352 354 1HB GLN 33 2HB GLN 33 -4.944 6.020 4.423 355 2HB GLN 33 1HB GLN 33 -3.502 5.561 5.330 356 1HG GLN 33 2HG GLN 33 -3.497 8.086 6.058 357 2HG GLN 33 1HG GLN 33 -5.198 8.026 5.597 358 1HE2 GLN 33 2HE2 GLN 33 -3.934 6.003 8.921 359 2HE2 GLN 33 1HE2 GLN 33 -2.797 6.646 7.836 360 QB GLN 33 QB GLN 33 -4.223 5.790 4.876 361 QG GLN 33 QG GLN 33 -4.347 8.056 5.827 362 QE2 GLN 33 QE2 GLN 33 -3.366 6.325 8.379 363 H TYR 34 H TYR 34 -1.457 5.355 4.414 364 HA TYR 34 HA TYR 34 0.447 6.694 6.005 365 1HB TYR 34 2HB TYR 34 0.407 4.340 5.881 366 2HB TYR 34 1HB TYR 34 0.231 4.347 4.122 367 HD1 TYR 34 2HD TYR 34 2.239 4.720 2.688 368 HD2 TYR 34 1HD TYR 34 2.568 4.442 6.961 369 HE1 TYR 34 2HE TYR 34 4.687 4.385 2.477 370 HE2 TYR 34 1HE TYR 34 5.015 4.106 6.751 371 HH TYR 34 HH TYR 34 6.797 4.362 5.278 372 QB TYR 34 QB TYR 34 0.319 4.344 5.002 373 QG TYR 34 QD TYR 34 2.404 4.581 4.825 374 QZ TYR 34 QE TYR 34 4.851 4.245 4.614 375 QR TYR 34 QR TYR 34 3.627 4.413 4.719 376 H ALA 35 H ALA 35 0.105 6.423 2.484 377 HA ALA 35 HA ALA 35 2.625 7.662 1.731 378 1HB ALA 35 3HB ALA 35 0.005 6.932 0.450 379 2HB ALA 35 2HB ALA 35 1.133 7.963 -0.433 380 3HB ALA 35 1HB ALA 35 1.627 6.347 0.077 381 QB ALA 35 QB ALA 35 0.922 7.080 0.031 382 H ASN 36 H ASN 36 -0.741 8.861 1.955 383 HA ASN 36 HA ASN 36 -0.320 11.516 1.058 384 1HB ASN 36 2HB ASN 36 -2.257 10.090 2.830 385 2HB ASN 36 1HB ASN 36 -2.330 11.849 2.749 386 1HD2 ASN 36 2HD2 ASN 36 -2.927 9.842 -0.799 387 2HD2 ASN 36 1HD2 ASN 36 -1.779 9.244 0.297 388 QB ASN 36 QB ASN 36 -2.293 10.969 2.790 389 QD2 ASN 36 QD2 ASN 36 -2.353 9.543 -0.251 390 H ASP 37 H ASP 37 -0.296 10.296 4.429 391 HA ASP 37 HA ASP 37 0.317 12.732 5.731 392 1HB ASP 37 2HB ASP 37 -0.290 10.332 6.578 393 2HB ASP 37 1HB ASP 37 1.457 10.089 6.597 394 QB ASP 37 QB ASP 37 0.583 10.210 6.588 395 H ASN 38 H ASN 38 2.360 10.703 3.811 396 HA ASN 38 HA ASN 38 4.803 12.039 4.770 397 1HB ASN 38 2HB ASN 38 4.087 9.528 3.333 398 2HB ASN 38 1HB ASN 38 5.693 10.202 3.054 399 1HD2 ASN 38 2HD2 ASN 38 6.770 9.652 6.448 400 2HD2 ASN 38 1HD2 ASN 38 6.990 10.687 5.121 401 QB ASN 38 QB ASN 38 4.890 9.865 3.194 402 QD2 ASN 38 QD2 ASN 38 6.880 10.170 5.785 403 H GLY 39 H GLY 39 2.640 11.898 2.030 404 1HA GLY 39 2HA GLY 39 2.600 13.741 0.417 405 2HA GLY 39 1HA GLY 39 4.344 13.909 0.630 406 QA GLY 39 QA GLY 39 3.472 13.825 0.524 407 H ILE 40 H ILE 40 2.761 10.794 0.287 408 HA ILE 40 HA ILE 40 4.341 10.296 -2.180 409 HB ILE 40 HB ILE 40 3.079 8.752 0.050 410 1HG1 ILE 40 2HG1 ILE 40 5.311 7.601 -0.078 411 2HG1 ILE 40 1HG1 ILE 40 5.740 8.727 -1.369 412 1HG2 ILE 40 3HG2 ILE 40 2.246 7.642 -2.066 413 2HG2 ILE 40 2HG2 ILE 40 3.934 7.361 -2.493 414 3HG2 ILE 40 1HG2 ILE 40 3.255 6.630 -1.036 415 1HD1 ILE 40 2HD1 ILE 40 4.721 9.642 1.317 416 2HD1 ILE 40 1HD1 ILE 40 6.441 9.426 0.981 417 3HD1 ILE 40 3HD1 ILE 40 5.505 10.611 0.064 418 QG1 ILE 40 QG1 ILE 40 5.525 8.164 -0.723 419 QG2 ILE 40 QG2 ILE 40 3.145 7.211 -1.865 420 QD1 ILE 40 QD1 ILE 40 5.556 9.893 0.787 421 H ASP 41 H ASP 41 3.216 11.056 -3.916 422 HA ASP 41 HA ASP 41 0.470 9.969 -4.381 423 1HB ASP 41 2HB ASP 41 1.364 12.856 -4.355 424 2HB ASP 41 1HB ASP 41 -0.118 12.342 -5.163 425 QB ASP 41 QB ASP 41 0.623 12.599 -4.759 426 H GLY 42 H GLY 42 0.758 8.841 -6.252 427 1HA GLY 42 2HA GLY 42 1.535 10.220 -8.691 428 2HA GLY 42 1HA GLY 42 2.733 9.028 -8.185 429 QA GLY 42 QA GLY 42 2.134 9.624 -8.438 430 H GLU 43 H GLU 43 2.345 6.889 -8.650 431 HA GLU 43 HA GLU 43 -0.330 6.224 -9.850 432 1HB GLU 43 2HB GLU 43 2.132 6.121 -10.976 433 2HB GLU 43 1HB GLU 43 2.061 4.504 -10.276 434 1HG GLU 43 2HG GLU 43 0.374 3.822 -11.672 435 2HG GLU 43 1HG GLU 43 -0.368 5.422 -11.725 436 QB GLU 43 QB GLU 43 2.096 5.312 -10.626 437 QG GLU 43 QG GLU 43 0.003 4.622 -11.698 438 H TRP 44 H TRP 44 -0.786 3.742 -9.600 439 HA TRP 44 HA TRP 44 0.211 2.542 -7.053 440 1HB TRP 44 2HB TRP 44 -2.542 3.649 -7.598 441 2HB TRP 44 1HB TRP 44 -2.369 2.234 -6.555 442 HD1 TRP 44 HD TRP 44 -1.457 5.941 -6.742 443 HE1 TRP 44 1HE TRP 44 -0.775 6.723 -4.383 444 HE3 TRP 44 3HE TRP 44 -1.450 1.457 -4.328 445 HZ2 TRP 44 2HZ TRP 44 -0.282 5.585 -1.804 446 HZ3 TRP 44 3HZ TRP 44 -0.867 1.331 -1.914 447 HH2 TRP 44 HH TRP 44 -0.280 3.390 -0.658 448 QB TRP 44 QB TRP 44 -2.456 2.941 -7.076 449 H THR 45 H THR 45 0.431 0.385 -7.416 450 HA THR 45 HA THR 45 -1.462 -0.968 -9.290 451 HB THR 45 HB THR 45 0.297 -1.919 -10.566 452 HG1 THR 45 1HG THR 45 2.443 -1.828 -9.899 453 1HG2 THR 45 2HG2 THR 45 -0.029 0.486 -11.047 454 2HG2 THR 45 1HG2 THR 45 1.233 0.874 -9.876 455 3HG2 THR 45 3HG2 THR 45 1.637 -0.020 -11.344 456 QG2 THR 45 QG2 THR 45 0.947 0.447 -10.756 457 H TYR 46 H TYR 46 -2.129 -2.879 -8.463 458 HA TYR 46 HA TYR 46 -0.844 -3.842 -5.955 459 1HB TYR 46 2HB TYR 46 -3.213 -3.409 -5.832 460 2HB TYR 46 1HB TYR 46 -3.517 -4.329 -7.310 461 HD1 TYR 46 2HD TYR 46 -1.633 -4.928 -4.114 462 HD2 TYR 46 1HD TYR 46 -4.537 -6.389 -6.918 463 HE1 TYR 46 2HE TYR 46 -1.869 -7.005 -2.784 464 HE2 TYR 46 1HE TYR 46 -4.770 -8.471 -5.593 465 HH TYR 46 HH TYR 46 -4.274 -8.969 -2.852 466 QB TYR 46 QB TYR 46 -3.365 -3.869 -6.571 467 QG TYR 46 QD TYR 46 -3.085 -5.658 -5.516 468 QZ TYR 46 QE TYR 46 -3.319 -7.738 -4.189 469 QR TYR 46 QR TYR 46 -3.202 -6.698 -4.852 470 H ASP 47 H ASP 47 -0.110 -6.000 -5.778 471 HA ASP 47 HA ASP 47 0.162 -7.502 -8.362 472 1HB ASP 47 2HB ASP 47 1.984 -7.292 -5.941 473 2HB ASP 47 1HB ASP 47 2.298 -8.314 -7.342 474 QB ASP 47 QB ASP 47 2.141 -7.803 -6.641 475 H ASP 48 H ASP 48 -1.567 -8.940 -8.122 476 HA ASP 48 HA ASP 48 -2.301 -10.211 -5.633 477 1HB ASP 48 2HB ASP 48 -3.742 -9.782 -7.654 478 2HB ASP 48 1HB ASP 48 -2.868 -11.071 -8.482 479 QB ASP 48 QB ASP 48 -3.305 -10.427 -8.068 480 H ALA 49 H ALA 49 0.385 -10.768 -7.609 481 HA ALA 49 HA ALA 49 0.487 -13.690 -7.187 482 1HB ALA 49 3HB ALA 49 1.291 -12.043 -9.191 483 2HB ALA 49 2HB ALA 49 2.789 -12.147 -8.266 484 3HB ALA 49 1HB ALA 49 2.033 -13.614 -8.888 485 QB ALA 49 QB ALA 49 2.038 -12.601 -8.782 486 H THR 50 H THR 50 1.797 -10.702 -5.873 487 HA THR 50 HA THR 50 3.326 -12.317 -3.863 488 HB THR 50 HB THR 50 5.011 -10.487 -3.953 489 HG1 THR 50 1HG THR 50 4.779 -8.993 -5.690 490 1HG2 THR 50 2HG2 THR 50 4.948 -12.563 -5.524 491 2HG2 THR 50 1HG2 THR 50 4.519 -11.398 -6.777 492 3HG2 THR 50 3HG2 THR 50 6.051 -11.243 -5.916 493 QG2 THR 50 QG2 THR 50 5.173 -11.735 -6.072 494 H LYS 51 H LYS 51 0.651 -10.458 -4.232 495 HA LYS 51 HA LYS 51 -0.627 -9.096 -2.794 496 1HB LYS 51 2HB LYS 51 1.256 -10.384 -0.785 497 2HB LYS 51 1HB LYS 51 -0.284 -9.618 -0.396 498 1HG LYS 51 2HG LYS 51 0.016 -11.971 -2.287 499 2HG LYS 51 1HG LYS 51 -0.441 -12.115 -0.588 500 1HD LYS 51 2HD LYS 51 -2.370 -10.570 -1.043 501 2HD LYS 51 1HD LYS 51 -1.959 -10.640 -2.757 502 1HE LYS 51 2HE LYS 51 -3.448 -12.401 -2.732 503 2HE LYS 51 1HE LYS 51 -2.028 -13.303 -2.167 504 1HZ LYS 51 1HZ LYS 51 -2.624 -12.655 0.118 505 2HZ LYS 51 3HZ LYS 51 -4.048 -11.939 -0.466 506 3HZ LYS 51 2HZ LYS 51 -3.820 -13.617 -0.612 507 QB LYS 51 QB LYS 51 0.486 -10.001 -0.591 508 QG LYS 51 QG LYS 51 -0.213 -12.043 -1.437 509 QD LYS 51 QD LYS 51 -2.165 -10.605 -1.900 510 QE LYS 51 QE LYS 51 -2.738 -12.852 -2.450 511 QZ LYS 51 QZ LYS 51 -3.497 -12.737 -0.320 512 H THR 52 H THR 52 1.609 -7.826 -4.072 513 HA THR 52 HA THR 52 2.417 -5.851 -1.947 514 HB THR 52 HB THR 52 3.963 -6.634 -4.432 515 HG1 THR 52 1HG THR 52 5.085 -8.028 -3.124 516 1HG2 THR 52 3HG2 THR 52 4.494 -4.977 -1.981 517 2HG2 THR 52 2HG2 THR 52 5.833 -5.756 -2.824 518 3HG2 THR 52 1HG2 THR 52 4.815 -4.593 -3.673 519 QG2 THR 52 QG2 THR 52 5.047 -5.109 -2.826 520 H PHE 53 H PHE 53 2.108 -3.683 -2.452 521 HA PHE 53 HA PHE 53 0.691 -3.075 -4.996 522 1HB PHE 53 2HB PHE 53 1.082 -1.676 -2.345 523 2HB PHE 53 1HB PHE 53 0.273 -0.899 -3.707 524 HD1 PHE 53 1HD PHE 53 0.125 -3.747 -1.326 525 HD2 PHE 53 2HD PHE 53 -1.965 -1.525 -4.361 526 HE1 PHE 53 1HE PHE 53 -1.987 -4.911 -0.728 527 HE2 PHE 53 2HE PHE 53 -4.065 -2.692 -3.762 528 1HZ PHE 53 HZ PHE 53 -4.077 -4.384 -1.950 529 QB PHE 53 QB PHE 53 0.678 -1.288 -3.026 530 QG PHE 53 QD PHE 53 -0.920 -2.636 -2.844 531 QZ PHE 53 QE PHE 53 -3.026 -3.801 -2.245 532 QZ PHE 53 QR PHE 53 -2.394 -3.452 -2.425 533 H THR 54 H THR 54 1.344 -0.440 -5.518 534 HA THR 54 HA THR 54 4.266 -0.065 -5.380 535 HB THR 54 HB THR 54 3.022 -0.115 -8.114 536 HG1 THR 54 1HG THR 54 4.032 -2.387 -6.748 537 1HG2 THR 54 1HG2 THR 54 5.728 -0.306 -6.875 538 2HG2 THR 54 3HG2 THR 54 5.469 -1.118 -8.419 539 3HG2 THR 54 2HG2 THR 54 5.199 0.620 -8.280 540 QG2 THR 54 QG2 THR 54 5.465 -0.268 -7.858 541 H VAL 55 H VAL 55 3.662 1.862 -4.334 542 HA VAL 55 HA VAL 55 1.885 3.736 -5.758 543 HB VAL 55 HB VAL 55 1.441 3.479 -3.429 544 1HG1 VAL 55 3HG1 VAL 55 4.401 3.995 -3.015 545 2HG1 VAL 55 2HG1 VAL 55 3.211 4.055 -1.714 546 3HG1 VAL 55 1HG1 VAL 55 3.477 2.546 -2.588 547 1HG2 VAL 55 2HG2 VAL 55 1.354 5.808 -4.311 548 2HG2 VAL 55 1HG2 VAL 55 1.702 5.746 -2.582 549 3HG2 VAL 55 3HG2 VAL 55 3.000 6.057 -3.735 550 QG1 VAL 55 QG1 VAL 55 3.696 3.532 -2.439 551 QG2 VAL 55 QG2 VAL 55 2.019 5.870 -3.543 552 QQG VAL 55 QQG VAL 55 2.857 4.701 -2.991 553 H THR 56 H THR 56 2.884 4.767 -7.381 554 HA THR 56 HA THR 56 5.684 5.681 -7.159 555 HB THR 56 HB THR 56 3.530 5.407 -9.237 556 HG1 THR 56 1HG THR 56 4.877 3.729 -9.143 557 1HG2 THR 56 3HG2 THR 56 6.012 7.106 -9.626 558 2HG2 THR 56 2HG2 THR 56 4.914 6.598 -10.909 559 3HG2 THR 56 1HG2 THR 56 4.345 7.686 -9.642 560 QG2 THR 56 QG2 THR 56 5.090 7.130 -10.059 561 H GLU 57 H GLU 57 6.019 8.079 -7.891 562 HA GLU 57 HA GLU 57 3.940 9.809 -6.590 563 1HB GLU 57 2HB GLU 57 6.163 9.402 -5.402 564 2HB GLU 57 1HB GLU 57 6.930 10.284 -6.722 565 1HG GLU 57 2HG GLU 57 4.586 11.639 -5.529 566 2HG GLU 57 1HG GLU 57 5.968 11.463 -4.448 567 QB GLU 57 QB GLU 57 6.546 9.843 -6.062 568 QG GLU 57 QG GLU 57 5.277 11.551 -4.988 No H/Q in entry = 568 Start of MODEL 4 1 1H MET 1 1HT MET 1 -2.916 -15.905 6.505 2 2H MET 1 3HT MET 1 -1.222 -15.971 6.508 3 3H MET 1 2HT MET 1 -2.086 -16.315 7.930 4 HA MET 1 HA MET 1 -2.785 -14.056 8.161 5 1HB MET 1 2HB MET 1 0.059 -14.823 7.691 6 2HB MET 1 1HB MET 1 -0.276 -13.106 7.917 7 1HG MET 1 2HG MET 1 -1.417 -13.582 10.034 8 2HG MET 1 1HG MET 1 -1.156 -15.311 9.803 9 1HE MET 1 3HE MET 1 -0.028 -15.920 11.753 10 2HE MET 1 2HE MET 1 1.368 -15.157 12.511 11 3HE MET 1 1HE MET 1 -0.190 -14.333 12.517 12 QB MET 1 QB MET 1 -0.108 -13.964 7.804 13 QG MET 1 QG MET 1 -1.287 -14.447 9.919 14 QE MET 1 QE MET 1 0.384 -15.137 12.261 15 H THR 2 H THR 2 -3.011 -11.954 7.244 16 HA THR 2 HA THR 2 -2.619 -11.830 4.274 17 HB THR 2 HB THR 2 -4.546 -10.368 6.112 18 HG1 THR 2 1HG THR 2 -4.992 -12.494 4.290 19 1HG2 THR 2 2HG2 THR 2 -3.978 -10.297 3.178 20 2HG2 THR 2 1HG2 THR 2 -5.654 -10.142 3.703 21 3HG2 THR 2 3HG2 THR 2 -4.444 -8.986 4.260 22 QG2 THR 2 QG2 THR 2 -4.692 -9.808 3.714 23 H THR 3 H THR 3 -0.306 -11.163 5.092 24 HA THR 3 HA THR 3 -0.150 -8.358 6.048 25 HB THR 3 HB THR 3 2.025 -10.356 5.353 26 HG1 THR 3 1HG THR 3 1.978 -10.715 7.649 27 1HG2 THR 3 1HG2 THR 3 2.502 -7.824 5.640 28 2HG2 THR 3 3HG2 THR 3 2.153 -8.100 7.347 29 3HG2 THR 3 2HG2 THR 3 3.483 -8.958 6.569 30 QG2 THR 3 QG2 THR 3 2.713 -8.294 6.519 31 H PHE 4 H PHE 4 -0.608 -6.977 4.333 32 HA PHE 4 HA PHE 4 0.448 -7.520 1.629 33 1HB PHE 4 2HB PHE 4 -1.378 -5.541 2.965 34 2HB PHE 4 1HB PHE 4 -0.751 -5.193 1.354 35 HD1 PHE 4 2HD PHE 4 -0.942 -7.133 -0.397 36 HD2 PHE 4 1HD PHE 4 -3.298 -6.868 3.182 37 HE1 PHE 4 2HE PHE 4 -2.617 -8.664 -1.390 38 HE2 PHE 4 1HE PHE 4 -4.975 -8.397 2.184 39 1HZ PHE 4 HZ PHE 4 -4.636 -9.298 -0.098 40 QB PHE 4 QB PHE 4 -1.064 -5.367 2.160 41 QG PHE 4 QD PHE 4 -2.120 -7.001 1.392 42 QZ PHE 4 QE PHE 4 -3.796 -8.531 0.397 43 QZ PHE 4 QR PHE 4 -3.293 -8.072 0.696 44 H LYS 5 H LYS 5 1.945 -6.112 0.566 45 HA LYS 5 HA LYS 5 3.601 -4.431 2.419 46 1HB LYS 5 2HB LYS 5 4.297 -5.954 -0.117 47 2HB LYS 5 1HB LYS 5 5.440 -5.015 0.843 48 1HG LYS 5 2HG LYS 5 5.811 -7.050 1.831 49 2HG LYS 5 1HG LYS 5 4.410 -6.571 2.791 50 1HD LYS 5 2HD LYS 5 3.015 -8.063 1.753 51 2HD LYS 5 1HD LYS 5 3.833 -7.905 0.198 52 1HE LYS 5 2HE LYS 5 5.796 -9.174 1.253 53 2HE LYS 5 1HE LYS 5 4.688 -9.565 2.583 54 1HZ LYS 5 1HZ LYS 5 4.103 -10.030 -0.293 55 2HZ LYS 5 3HZ LYS 5 4.630 -11.232 0.782 56 3HZ LYS 5 2HZ LYS 5 3.127 -10.478 1.023 57 QB LYS 5 QB LYS 5 4.868 -5.484 0.363 58 QG LYS 5 QG LYS 5 5.110 -6.811 2.311 59 QD LYS 5 QD LYS 5 3.424 -7.984 0.975 60 QE LYS 5 QE LYS 5 5.242 -9.369 1.918 61 QZ LYS 5 QZ LYS 5 3.953 -10.580 0.504 62 H LEU 6 H LEU 6 5.060 -3.001 0.595 63 HA LEU 6 HA LEU 6 3.410 -1.844 -1.522 64 1HB LEU 6 2HB LEU 6 2.337 -0.939 0.499 65 2HB LEU 6 1HB LEU 6 3.893 -0.349 1.080 66 HG LEU 6 HG LEU 6 4.014 0.983 -1.126 67 1HD1 LEU 6 2HD1 LEU 6 1.154 0.026 -1.126 68 2HD1 LEU 6 1HD1 LEU 6 1.609 1.538 -1.911 69 3HD1 LEU 6 3HD1 LEU 6 2.317 0.017 -2.452 70 1HD2 LEU 6 1HD2 LEU 6 3.374 1.804 1.255 71 2HD2 LEU 6 3HD2 LEU 6 2.953 2.832 -0.114 72 3HD2 LEU 6 2HD2 LEU 6 1.721 1.824 0.643 73 QB LEU 6 QB LEU 6 3.115 -0.644 0.790 74 QD1 LEU 6 QD1 LEU 6 1.694 0.527 -1.829 75 QD2 LEU 6 QD2 LEU 6 2.683 2.153 0.594 76 QQD LEU 6 QQD LEU 6 2.188 1.340 -0.618 77 H ILE 7 H ILE 7 5.121 -1.760 -2.959 78 HA ILE 7 HA ILE 7 7.796 -0.859 -2.090 79 HB ILE 7 HB ILE 7 6.656 -1.630 -4.803 80 1HG1 ILE 7 2HG1 ILE 7 8.388 -3.311 -2.975 81 2HG1 ILE 7 1HG1 ILE 7 6.626 -3.387 -2.927 82 1HG2 ILE 7 1HG2 ILE 7 9.334 -0.781 -3.841 83 2HG2 ILE 7 3HG2 ILE 7 9.312 -2.180 -4.915 84 3HG2 ILE 7 2HG2 ILE 7 8.620 -0.649 -5.448 85 1HD1 ILE 7 2HD1 ILE 7 8.307 -3.855 -5.406 86 2HD1 ILE 7 1HD1 ILE 7 7.598 -5.130 -4.415 87 3HD1 ILE 7 3HD1 ILE 7 6.555 -4.011 -5.292 88 QG1 ILE 7 QG1 ILE 7 7.507 -3.349 -2.951 89 QG2 ILE 7 QG2 ILE 7 9.089 -1.203 -4.735 90 QD1 ILE 7 QD1 ILE 7 7.487 -4.332 -5.038 91 H ILE 8 H ILE 8 7.803 1.358 -1.738 92 HA ILE 8 HA ILE 8 6.174 3.185 -3.307 93 HB ILE 8 HB ILE 8 8.558 3.816 -1.546 94 1HG1 ILE 8 2HG1 ILE 8 6.427 2.307 -0.647 95 2HG1 ILE 8 1HG1 ILE 8 7.393 3.354 0.371 96 1HG2 ILE 8 3HG2 ILE 8 6.105 5.349 -2.434 97 2HG2 ILE 8 2HG2 ILE 8 7.200 5.917 -1.165 98 3HG2 ILE 8 1HG2 ILE 8 7.797 5.702 -2.812 99 1HD1 ILE 8 1HD1 ILE 8 5.019 4.522 -1.048 100 2HD1 ILE 8 3HD1 ILE 8 4.754 3.522 0.378 101 3HD1 ILE 8 2HD1 ILE 8 5.735 4.981 0.495 102 QG1 ILE 8 QG1 ILE 8 6.910 2.830 -0.138 103 QG2 ILE 8 QG2 ILE 8 7.034 5.656 -2.137 104 QD1 ILE 8 QD1 ILE 8 5.169 4.341 -0.059 105 H ASN 9 H ASN 9 6.730 3.359 -5.463 106 HA ASN 9 HA ASN 9 9.514 3.230 -6.382 107 1HB ASN 9 2HB ASN 9 7.610 2.274 -7.620 108 2HB ASN 9 1HB ASN 9 6.889 3.872 -7.748 109 1HD2 ASN 9 2HD2 ASN 9 8.583 4.413 -10.783 110 2HD2 ASN 9 1HD2 ASN 9 7.140 4.548 -9.892 111 QB ASN 9 QB ASN 9 7.249 3.073 -7.684 112 QD2 ASN 9 QD2 ASN 9 7.861 4.480 -10.338 113 H GLY 10 H GLY 10 7.891 5.692 -4.859 114 1HA GLY 10 2HA GLY 10 8.510 7.915 -6.623 115 2HA GLY 10 1HA GLY 10 8.018 8.041 -4.933 116 QA GLY 10 QA GLY 10 8.264 7.978 -5.778 117 H LYS 11 H LYS 11 9.649 9.550 -4.389 118 HA LYS 11 HA LYS 11 12.395 8.375 -4.195 119 1HB LYS 11 2HB LYS 11 13.269 10.611 -4.884 120 2HB LYS 11 1HB LYS 11 12.292 9.861 -6.145 121 1HG LYS 11 2HG LYS 11 10.436 11.274 -5.705 122 2HG LYS 11 1HG LYS 11 11.090 11.780 -4.147 123 1HD LYS 11 2HD LYS 11 12.984 12.882 -5.344 124 2HD LYS 11 1HD LYS 11 12.216 12.464 -6.876 125 1HE LYS 11 2HE LYS 11 10.111 13.661 -5.772 126 2HE LYS 11 1HE LYS 11 11.371 14.484 -4.830 127 1HZ LYS 11 1HZ LYS 11 12.543 14.927 -6.935 128 2HZ LYS 11 3HZ LYS 11 11.238 14.264 -7.791 129 3HZ LYS 11 2HZ LYS 11 11.020 15.678 -6.874 130 QB LYS 11 QB LYS 11 12.781 10.236 -5.515 131 QG LYS 11 QG LYS 11 10.763 11.527 -4.926 132 QD LYS 11 QD LYS 11 12.600 12.673 -6.110 133 QE LYS 11 QE LYS 11 10.741 14.072 -5.301 134 QZ LYS 11 QZ LYS 11 11.600 14.956 -7.200 135 H THR 12 H THR 12 10.202 8.719 -2.212 136 HA THR 12 HA THR 12 11.746 10.273 -0.195 137 HB THR 12 HB THR 12 9.462 11.309 0.439 138 HG1 THR 12 1HG THR 12 7.964 10.396 -0.739 139 1HG2 THR 12 3HG2 THR 12 11.326 12.553 -0.622 140 2HG2 THR 12 2HG2 THR 12 10.731 12.061 -2.207 141 3HG2 THR 12 1HG2 THR 12 9.754 13.116 -1.188 142 QG2 THR 12 QG2 THR 12 10.604 12.577 -1.339 143 H LEU 13 H LEU 13 10.672 7.354 -0.839 144 HA LEU 13 HA LEU 13 10.309 6.579 1.932 145 1HB LEU 13 2HB LEU 13 8.022 7.422 0.373 146 2HB LEU 13 1HB LEU 13 7.857 5.712 0.767 147 HG LEU 13 HG LEU 13 8.409 7.935 2.759 148 1HD1 LEU 13 2HD1 LEU 13 5.948 6.571 1.778 149 2HD1 LEU 13 1HD1 LEU 13 6.056 6.858 3.515 150 3HD1 LEU 13 3HD1 LEU 13 6.157 8.212 2.391 151 1HD2 LEU 13 1HD2 LEU 13 8.124 4.934 3.011 152 2HD2 LEU 13 3HD2 LEU 13 9.421 5.961 3.623 153 3HD2 LEU 13 2HD2 LEU 13 7.828 6.008 4.379 154 QB LEU 13 QB LEU 13 7.940 6.567 0.570 155 QD1 LEU 13 QD1 LEU 13 6.054 7.214 2.561 156 QD2 LEU 13 QD2 LEU 13 8.458 5.634 3.671 157 QQD LEU 13 QQD LEU 13 7.256 6.424 3.116 158 H LYS 14 H LYS 14 11.942 5.777 -0.368 159 HA LYS 14 HA LYS 14 11.122 3.462 -1.720 160 1HB LYS 14 2HB LYS 14 13.604 2.957 -1.740 161 2HB LYS 14 1HB LYS 14 13.186 4.594 -2.240 162 1HG LYS 14 2HG LYS 14 14.266 5.531 -0.480 163 2HG LYS 14 1HG LYS 14 13.619 4.353 0.658 164 1HD LYS 14 2HD LYS 14 15.691 3.429 -1.293 165 2HD LYS 14 1HD LYS 14 16.217 4.415 0.072 166 1HE LYS 14 2HE LYS 14 15.037 2.821 1.617 167 2HE LYS 14 1HE LYS 14 14.698 1.788 0.214 168 1HZ LYS 14 1HZ LYS 14 17.109 1.853 -0.288 169 2HZ LYS 14 3HZ LYS 14 17.368 2.660 1.181 170 3HZ LYS 14 2HZ LYS 14 16.754 1.077 1.181 171 QB LYS 14 QB LYS 14 13.395 3.775 -1.990 172 QG LYS 14 QG LYS 14 13.943 4.942 0.089 173 QD LYS 14 QD LYS 14 15.954 3.922 -0.610 174 QE LYS 14 QE LYS 14 14.867 2.305 0.916 175 QZ LYS 14 QZ LYS 14 17.077 1.863 0.691 176 H GLY 15 H GLY 15 9.930 1.962 -0.470 177 1HA GLY 15 2HA GLY 15 11.458 0.085 1.111 178 2HA GLY 15 1HA GLY 15 10.444 1.092 2.144 179 QA GLY 15 QA GLY 15 10.951 0.589 1.628 180 H GLU 16 H GLU 16 9.776 -1.438 2.315 181 HA GLU 16 HA GLU 16 7.602 -2.009 0.341 182 1HB GLU 16 2HB GLU 16 9.645 -3.536 1.305 183 2HB GLU 16 1HB GLU 16 8.365 -3.959 2.441 184 1HG GLU 16 2HG GLU 16 7.753 -5.456 0.837 185 2HG GLU 16 1HG GLU 16 7.003 -4.055 0.072 186 QB GLU 16 QB GLU 16 9.005 -3.748 1.873 187 QG GLU 16 QG GLU 16 7.378 -4.755 0.455 188 H ILE 17 H ILE 17 8.244 -1.877 3.858 189 HA ILE 17 HA ILE 17 6.779 -1.593 5.689 190 HB ILE 17 HB ILE 17 5.198 -0.207 3.496 191 1HG1 ILE 17 2HG1 ILE 17 7.506 0.633 3.656 192 2HG1 ILE 17 1HG1 ILE 17 6.374 1.834 4.272 193 1HG2 ILE 17 3HG2 ILE 17 4.309 -0.757 6.011 194 2HG2 ILE 17 2HG2 ILE 17 5.118 0.784 6.286 195 3HG2 ILE 17 1HG2 ILE 17 3.828 0.668 5.092 196 1HD1 ILE 17 2HD1 ILE 17 6.918 0.449 6.557 197 2HD1 ILE 17 1HD1 ILE 17 8.455 0.290 5.707 198 3HD1 ILE 17 3HD1 ILE 17 7.801 1.891 6.054 199 QG1 ILE 17 QG1 ILE 17 6.940 1.234 3.964 200 QG2 ILE 17 QG2 ILE 17 4.418 0.231 5.796 201 QD1 ILE 17 QD1 ILE 17 7.725 0.876 6.106 202 H THR 18 H THR 18 6.273 -3.890 5.829 203 HA THR 18 HA THR 18 3.940 -4.960 4.389 204 HB THR 18 HB THR 18 4.533 -6.985 5.729 205 HG1 THR 18 1HG THR 18 5.269 -6.171 7.605 206 1HG2 THR 18 3HG2 THR 18 6.302 -5.541 3.908 207 2HG2 THR 18 2HG2 THR 18 7.193 -6.617 4.983 208 3HG2 THR 18 1HG2 THR 18 5.908 -7.260 3.963 209 QG2 THR 18 QG2 THR 18 6.467 -6.473 4.285 210 H ILE 19 H ILE 19 1.873 -5.053 5.214 211 HA ILE 19 HA ILE 19 1.458 -4.624 8.139 212 HB ILE 19 HB ILE 19 -0.251 -2.902 7.609 213 1HG1 ILE 19 2HG1 ILE 19 0.197 -2.011 5.093 214 2HG1 ILE 19 1HG1 ILE 19 0.449 -3.737 4.838 215 1HG2 ILE 19 1HG2 ILE 19 2.229 -2.385 7.988 216 2HG2 ILE 19 3HG2 ILE 19 2.348 -2.188 6.239 217 3HG2 ILE 19 2HG2 ILE 19 1.287 -1.135 7.175 218 1HD1 ILE 19 3HD1 ILE 19 -1.790 -3.874 6.307 219 2HD1 ILE 19 2HD1 ILE 19 -2.034 -2.276 5.601 220 3HD1 ILE 19 1HD1 ILE 19 -1.834 -3.682 4.555 221 QG1 ILE 19 QG1 ILE 19 0.323 -2.874 4.965 222 QG2 ILE 19 QG2 ILE 19 1.955 -1.902 7.134 223 QD1 ILE 19 QD1 ILE 19 -1.886 -3.277 5.488 224 H GLU 20 H GLU 20 -0.463 -5.586 8.924 225 HA GLU 20 HA GLU 20 -1.632 -7.671 7.191 226 1HB GLU 20 2HB GLU 20 -1.667 -6.915 10.107 227 2HB GLU 20 1HB GLU 20 -2.805 -8.112 9.487 228 1HG GLU 20 2HG GLU 20 -0.599 -9.114 8.381 229 2HG GLU 20 1HG GLU 20 0.171 -8.271 9.726 230 QB GLU 20 QB GLU 20 -2.236 -7.514 9.797 231 QG GLU 20 QG GLU 20 -0.214 -8.693 9.054 232 H ALA 21 H ALA 21 -3.912 -7.828 6.783 233 HA ALA 21 HA ALA 21 -5.767 -5.738 7.656 234 1HB ALA 21 2HB ALA 21 -4.339 -5.690 5.031 235 2HB ALA 21 1HB ALA 21 -6.040 -5.220 5.036 236 3HB ALA 21 3HB ALA 21 -4.878 -4.345 6.036 237 QB ALA 21 QB ALA 21 -5.086 -5.085 5.367 238 H VAL 22 H VAL 22 -7.958 -6.155 6.794 239 HA VAL 22 HA VAL 22 -8.772 -8.839 6.770 240 HB VAL 22 HB VAL 22 -10.221 -6.886 7.166 241 1HG1 VAL 22 2HG1 VAL 22 -9.073 -5.571 5.249 242 2HG1 VAL 22 1HG1 VAL 22 -10.224 -6.383 4.189 243 3HG1 VAL 22 3HG1 VAL 22 -10.805 -5.334 5.482 244 1HG2 VAL 22 2HG2 VAL 22 -11.041 -8.622 4.817 245 2HG2 VAL 22 1HG2 VAL 22 -11.353 -8.933 6.524 246 3HG2 VAL 22 3HG2 VAL 22 -12.154 -7.588 5.712 247 QG1 VAL 22 QG1 VAL 22 -10.034 -5.763 4.973 248 QG2 VAL 22 QG2 VAL 22 -11.516 -8.381 5.684 249 QQG VAL 22 QQG VAL 22 -10.775 -7.072 5.329 250 H ASP 23 H ASP 23 -7.985 -6.728 4.023 251 HA ASP 23 HA ASP 23 -7.373 -9.038 2.316 252 1HB ASP 23 2HB ASP 23 -9.870 -7.388 2.121 253 2HB ASP 23 1HB ASP 23 -9.115 -7.930 0.622 254 QB ASP 23 QB ASP 23 -9.492 -7.659 1.372 255 H ALA 24 H ALA 24 -6.778 -8.080 0.013 256 HA ALA 24 HA ALA 24 -4.756 -6.100 0.339 257 1HB ALA 24 2HB ALA 24 -5.379 -7.897 -1.546 258 2HB ALA 24 1HB ALA 24 -6.102 -6.478 -2.305 259 3HB ALA 24 3HB ALA 24 -4.382 -6.487 -1.911 260 QB ALA 24 QB ALA 24 -5.288 -6.954 -1.920 261 H ALA 25 H ALA 25 -8.188 -5.817 -0.362 262 HA ALA 25 HA ALA 25 -8.309 -3.204 -1.441 263 1HB ALA 25 1HB ALA 25 -10.100 -5.005 0.151 264 2HB ALA 25 3HB ALA 25 -10.608 -3.337 -0.114 265 3HB ALA 25 2HB ALA 25 -10.312 -4.397 -1.491 266 QB ALA 25 QB ALA 25 -10.340 -4.246 -0.485 267 H GLU 26 H GLU 26 -8.445 -4.291 1.956 268 HA GLU 26 HA GLU 26 -8.551 -1.628 3.091 269 1HB GLU 26 2HB GLU 26 -9.309 -3.736 4.192 270 2HB GLU 26 1HB GLU 26 -7.631 -4.279 4.261 271 1HG GLU 26 2HG GLU 26 -7.084 -2.824 5.945 272 2HG GLU 26 1HG GLU 26 -8.198 -1.580 5.377 273 QB GLU 26 QB GLU 26 -8.470 -4.008 4.227 274 QG GLU 26 QG GLU 26 -7.641 -2.202 5.661 275 H ALA 27 H ALA 27 -5.931 -3.963 2.461 276 HA ALA 27 HA ALA 27 -3.755 -2.578 3.652 277 1HB ALA 27 3HB ALA 27 -4.184 -4.561 1.468 278 2HB ALA 27 2HB ALA 27 -2.617 -3.745 1.492 279 3HB ALA 27 1HB ALA 27 -3.156 -4.673 2.897 280 QB ALA 27 QB ALA 27 -3.319 -4.326 1.952 281 H GLU 28 H GLU 28 -5.069 -2.358 0.333 282 HA GLU 28 HA GLU 28 -3.286 -0.398 -0.699 283 1HB GLU 28 2HB GLU 28 -5.161 -1.837 -1.798 284 2HB GLU 28 1HB GLU 28 -6.237 -0.520 -1.336 285 1HG GLU 28 2HG GLU 28 -4.522 1.033 -2.494 286 2HG GLU 28 1HG GLU 28 -3.886 -0.437 -3.236 287 QB GLU 28 QB GLU 28 -5.699 -1.179 -1.567 288 QG GLU 28 QG GLU 28 -4.204 0.298 -2.865 289 H LYS 29 H LYS 29 -6.302 -0.049 1.185 290 HA LYS 29 HA LYS 29 -6.436 2.832 1.079 291 1HB LYS 29 2HB LYS 29 -7.489 0.662 2.892 292 2HB LYS 29 1HB LYS 29 -7.798 2.361 3.241 293 1HG LYS 29 2HG LYS 29 -8.432 2.243 0.577 294 2HG LYS 29 1HG LYS 29 -8.926 0.639 1.122 295 1HD LYS 29 2HD LYS 29 -10.822 2.095 1.405 296 2HD LYS 29 1HD LYS 29 -10.173 1.774 3.014 297 1HE LYS 29 2HE LYS 29 -10.422 4.107 3.076 298 2HE LYS 29 1HE LYS 29 -8.743 3.962 2.519 299 1HZ LYS 29 2HZ LYS 29 -11.080 4.044 0.690 300 2HZ LYS 29 1HZ LYS 29 -10.170 5.418 1.101 301 3HZ LYS 29 3HZ LYS 29 -9.436 4.135 0.268 302 QB LYS 29 QB LYS 29 -7.643 1.511 3.067 303 QG LYS 29 QG LYS 29 -8.679 1.441 0.849 304 QD LYS 29 QD LYS 29 -10.497 1.935 2.210 305 QE LYS 29 QE LYS 29 -9.583 4.034 2.798 306 QZ LYS 29 QZ LYS 29 -10.229 4.532 0.686 307 H ILE 30 H ILE 30 -5.235 0.616 3.626 308 HA ILE 30 HA ILE 30 -4.162 2.552 5.408 309 HB ILE 30 HB ILE 30 -3.283 -0.277 4.700 310 1HG1 ILE 30 2HG1 ILE 30 -5.025 0.751 6.964 311 2HG1 ILE 30 1HG1 ILE 30 -5.646 0.025 5.482 312 1HG2 ILE 30 1HG2 ILE 30 -2.332 1.672 6.745 313 2HG2 ILE 30 3HG2 ILE 30 -2.592 0.018 7.302 314 3HG2 ILE 30 2HG2 ILE 30 -1.472 0.337 5.978 315 1HD1 ILE 30 1HD1 ILE 30 -3.890 -1.890 6.168 316 2HD1 ILE 30 3HD1 ILE 30 -4.241 -1.256 7.776 317 3HD1 ILE 30 2HD1 ILE 30 -5.548 -1.880 6.770 318 QG1 ILE 30 QG1 ILE 30 -5.336 0.388 6.223 319 QG2 ILE 30 QG2 ILE 30 -2.132 0.676 6.675 320 QD1 ILE 30 QD1 ILE 30 -4.560 -1.675 6.905 321 H PHE 31 H PHE 31 -2.763 0.977 2.557 322 HA PHE 31 HA PHE 31 -0.143 2.216 2.796 323 1HB PHE 31 2HB PHE 31 -1.706 0.646 0.755 324 2HB PHE 31 1HB PHE 31 -0.188 1.406 0.281 325 HD1 PHE 31 1HD PHE 31 1.579 1.150 2.504 326 HD2 PHE 31 2HD PHE 31 -1.403 -1.627 1.141 327 HE1 PHE 31 1HE PHE 31 2.838 -0.713 3.551 328 HE2 PHE 31 2HE PHE 31 -0.143 -3.490 2.191 329 1HZ PHE 31 HZ PHE 31 1.975 -3.033 3.395 330 QB PHE 31 QB PHE 31 -0.947 1.026 0.518 331 QG PHE 31 QD PHE 31 0.088 -0.239 1.822 332 QZ PHE 31 QE PHE 31 1.347 -2.101 2.871 333 QZ PHE 31 QR PHE 31 0.969 -1.543 2.556 334 H LYS 32 H LYS 32 -3.150 2.943 1.064 335 HA LYS 32 HA LYS 32 -2.055 5.202 -0.382 336 1HB LYS 32 2HB LYS 32 -4.751 3.956 0.029 337 2HB LYS 32 1HB LYS 32 -4.610 5.515 -0.777 338 1HG LYS 32 2HG LYS 32 -2.885 4.452 -2.300 339 2HG LYS 32 1HG LYS 32 -3.353 2.895 -1.628 340 1HD LYS 32 2HD LYS 32 -5.232 4.850 -2.994 341 2HD LYS 32 1HD LYS 32 -4.572 3.393 -3.732 342 1HE LYS 32 2HE LYS 32 -6.402 2.316 -2.916 343 2HE LYS 32 1HE LYS 32 -5.676 2.499 -1.308 344 1HZ LYS 32 2HZ LYS 32 -6.646 4.756 -1.230 345 2HZ LYS 32 1HZ LYS 32 -7.462 4.432 -2.685 346 3HZ LYS 32 3HZ LYS 32 -7.825 3.533 -1.294 347 QB LYS 32 QB LYS 32 -4.680 4.736 -0.374 348 QG LYS 32 QG LYS 32 -3.119 3.674 -1.964 349 QD LYS 32 QD LYS 32 -4.902 4.121 -3.363 350 QE LYS 32 QE LYS 32 -6.039 2.407 -2.112 351 QZ LYS 32 QZ LYS 32 -7.311 4.240 -1.736 352 H GLN 33 H GLN 33 -2.661 4.895 2.857 353 HA GLN 33 HA GLN 33 -3.684 7.720 3.127 354 1HB GLN 33 2HB GLN 33 -4.727 5.501 4.195 355 2HB GLN 33 1HB GLN 33 -3.457 5.761 5.387 356 1HG GLN 33 2HG GLN 33 -4.725 7.329 6.388 357 2HG GLN 33 1HG GLN 33 -4.692 8.291 4.912 358 1HE2 GLN 33 2HE2 GLN 33 -8.027 6.136 5.852 359 2HE2 GLN 33 1HE2 GLN 33 -6.613 5.984 6.779 360 QB GLN 33 QB GLN 33 -4.092 5.631 4.791 361 QG GLN 33 QG GLN 33 -4.709 7.810 5.650 362 QE2 GLN 33 QE2 GLN 33 -7.320 6.060 6.316 363 H TYR 34 H TYR 34 -1.468 5.284 4.253 364 HA TYR 34 HA TYR 34 0.362 6.704 5.858 365 1HB TYR 34 2HB TYR 34 0.415 4.350 5.754 366 2HB TYR 34 1HB TYR 34 0.263 4.337 3.993 367 HD1 TYR 34 1HD TYR 34 2.606 5.026 6.829 368 HD2 TYR 34 2HD TYR 34 2.228 4.288 2.614 369 HE1 TYR 34 1HE TYR 34 5.067 4.776 6.653 370 HE2 TYR 34 2HE TYR 34 4.690 4.039 2.439 371 HH TYR 34 HH TYR 34 6.700 3.702 5.168 372 QB TYR 34 QB TYR 34 0.339 4.344 4.874 373 QG TYR 34 QD TYR 34 2.417 4.657 4.722 374 QZ TYR 34 QE TYR 34 4.878 4.407 4.546 375 QR TYR 34 QR TYR 34 3.648 4.532 4.634 376 H ALA 35 H ALA 35 0.237 6.244 2.326 377 HA ALA 35 HA ALA 35 2.664 7.598 1.591 378 1HB ALA 35 1HB ALA 35 0.056 6.836 0.306 379 2HB ALA 35 3HB ALA 35 1.149 7.909 -0.569 380 3HB ALA 35 2HB ALA 35 1.691 6.301 -0.084 381 QB ALA 35 QB ALA 35 0.965 7.015 -0.115 382 H ASN 36 H ASN 36 -0.721 8.773 1.749 383 HA ASN 36 HA ASN 36 -0.289 11.452 0.931 384 1HB ASN 36 2HB ASN 36 -2.259 9.973 2.627 385 2HB ASN 36 1HB ASN 36 -2.339 11.734 2.588 386 1HD2 ASN 36 2HD2 ASN 36 -2.966 9.735 -0.962 387 2HD2 ASN 36 1HD2 ASN 36 -1.914 9.058 0.185 388 QB ASN 36 QB ASN 36 -2.299 10.854 2.607 389 QD2 ASN 36 QD2 ASN 36 -2.440 9.397 -0.388 390 H ASP 37 H ASP 37 -0.300 10.114 4.249 391 HA ASP 37 HA ASP 37 0.236 12.483 5.685 392 1HB ASP 37 2HB ASP 37 0.705 9.558 6.043 393 2HB ASP 37 1HB ASP 37 1.483 10.654 7.186 394 QB ASP 37 QB ASP 37 1.094 10.106 6.614 395 H ASN 38 H ASN 38 2.376 10.562 3.739 396 HA ASN 38 HA ASN 38 4.756 11.995 4.715 397 1HB ASN 38 2HB ASN 38 4.135 9.471 3.268 398 2HB ASN 38 1HB ASN 38 5.696 10.221 2.935 399 1HD2 ASN 38 2HD2 ASN 38 5.322 8.107 6.280 400 2HD2 ASN 38 1HD2 ASN 38 4.285 7.979 4.942 401 QB ASN 38 QB ASN 38 4.915 9.846 3.101 402 QD2 ASN 38 QD2 ASN 38 4.803 8.043 5.611 403 H GLY 39 H GLY 39 2.633 11.754 1.944 404 1HA GLY 39 2HA GLY 39 2.510 13.649 0.374 405 2HA GLY 39 1HA GLY 39 4.251 13.861 0.575 406 QA GLY 39 QA GLY 39 3.381 13.755 0.474 407 H ILE 40 H ILE 40 2.771 10.704 0.217 408 HA ILE 40 HA ILE 40 4.333 10.280 -2.272 409 HB ILE 40 HB ILE 40 3.143 8.678 -0.049 410 1HG1 ILE 40 2HG1 ILE 40 5.398 7.580 -0.233 411 2HG1 ILE 40 1HG1 ILE 40 5.776 8.739 -1.511 412 1HG2 ILE 40 1HG2 ILE 40 2.300 7.570 -2.163 413 2HG2 ILE 40 3HG2 ILE 40 3.987 7.335 -2.622 414 3HG2 ILE 40 2HG2 ILE 40 3.349 6.572 -1.163 415 1HD1 ILE 40 3HD1 ILE 40 4.796 9.566 1.223 416 2HD1 ILE 40 2HD1 ILE 40 6.513 9.428 0.819 417 3HD1 ILE 40 1HD1 ILE 40 5.494 10.594 -0.034 418 QG1 ILE 40 QG1 ILE 40 5.587 8.160 -0.872 419 QG2 ILE 40 QG2 ILE 40 3.212 7.159 -1.982 420 QD1 ILE 40 QD1 ILE 40 5.601 9.862 0.669 421 H ASP 41 H ASP 41 3.181 11.011 -3.994 422 HA ASP 41 HA ASP 41 0.498 9.817 -4.498 423 1HB ASP 41 2HB ASP 41 0.739 12.289 -3.363 424 2HB ASP 41 1HB ASP 41 0.733 12.714 -5.075 425 QB ASP 41 QB ASP 41 0.736 12.502 -4.219 426 H GLY 42 H GLY 42 1.162 8.725 -6.348 427 1HA GLY 42 2HA GLY 42 1.767 10.362 -8.718 428 2HA GLY 42 1HA GLY 42 3.017 9.201 -8.263 429 QA GLY 42 QA GLY 42 2.392 9.781 -8.490 430 H GLU 43 H GLU 43 2.217 6.895 -7.966 431 HA GLU 43 HA GLU 43 -0.109 6.260 -9.753 432 1HB GLU 43 2HB GLU 43 2.735 5.204 -9.811 433 2HB GLU 43 1HB GLU 43 1.404 4.419 -10.662 434 1HG GLU 43 2HG GLU 43 0.954 6.747 -11.701 435 2HG GLU 43 1HG GLU 43 2.577 7.155 -11.143 436 QB GLU 43 QB GLU 43 2.069 4.811 -10.237 437 QG GLU 43 QG GLU 43 1.765 6.951 -11.422 438 H TRP 44 H TRP 44 -0.665 3.825 -9.487 439 HA TRP 44 HA TRP 44 0.103 2.595 -6.891 440 1HB TRP 44 2HB TRP 44 -2.538 3.903 -7.524 441 2HB TRP 44 1HB TRP 44 -2.513 2.467 -6.491 442 HD1 TRP 44 HD TRP 44 -1.549 6.136 -6.525 443 HE1 TRP 44 1HE TRP 44 -0.741 6.793 -4.163 444 HE3 TRP 44 3HE TRP 44 -1.407 1.533 -4.374 445 HZ2 TRP 44 2HZ TRP 44 -0.115 5.510 -1.675 446 HZ3 TRP 44 3HZ TRP 44 -0.706 1.269 -2.003 447 HH2 TRP 44 HH TRP 44 -0.054 3.249 -0.663 448 QB TRP 44 QB TRP 44 -2.525 3.185 -7.008 449 H THR 45 H THR 45 0.236 0.442 -7.266 450 HA THR 45 HA THR 45 -1.705 -0.852 -9.122 451 HB THR 45 HB THR 45 0.005 -1.823 -10.461 452 HG1 THR 45 1HG THR 45 2.043 -2.022 -9.823 453 1HG2 THR 45 1HG2 THR 45 -0.346 0.582 -10.932 454 2HG2 THR 45 3HG2 THR 45 0.966 0.973 -9.819 455 3HG2 THR 45 2HG2 THR 45 1.304 0.074 -11.301 456 QG2 THR 45 QG2 THR 45 0.641 0.543 -10.684 457 H TYR 46 H TYR 46 -2.356 -2.777 -8.292 458 HA TYR 46 HA TYR 46 -1.027 -3.762 -5.823 459 1HB TYR 46 2HB TYR 46 -3.399 -3.401 -5.694 460 2HB TYR 46 1HB TYR 46 -3.678 -4.289 -7.197 461 HD1 TYR 46 2HD TYR 46 -1.853 -4.895 -3.971 462 HD2 TYR 46 1HD TYR 46 -4.591 -6.414 -6.907 463 HE1 TYR 46 2HE TYR 46 -2.042 -7.008 -2.696 464 HE2 TYR 46 1HE TYR 46 -4.778 -8.535 -5.635 465 HH TYR 46 HH TYR 46 -4.361 -9.075 -2.894 466 QB TYR 46 QB TYR 46 -3.538 -3.845 -6.445 467 QG TYR 46 QD TYR 46 -3.222 -5.654 -5.439 468 QZ TYR 46 QE TYR 46 -3.410 -7.772 -4.166 469 QR TYR 46 QR TYR 46 -3.316 -6.713 -4.802 470 H ASP 47 H ASP 47 -0.060 -5.790 -5.714 471 HA ASP 47 HA ASP 47 0.236 -7.277 -8.298 472 1HB ASP 47 2HB ASP 47 2.184 -6.138 -6.958 473 2HB ASP 47 1HB ASP 47 2.028 -7.535 -5.891 474 QB ASP 47 QB ASP 47 2.106 -6.837 -6.424 475 H ASP 48 H ASP 48 -1.454 -8.774 -8.142 476 HA ASP 48 HA ASP 48 -2.205 -10.131 -5.701 477 1HB ASP 48 2HB ASP 48 -3.590 -11.465 -7.276 478 2HB ASP 48 1HB ASP 48 -3.723 -9.735 -7.586 479 QB ASP 48 QB ASP 48 -3.657 -10.600 -7.431 480 H ALA 49 H ALA 49 0.558 -10.549 -7.577 481 HA ALA 49 HA ALA 49 0.707 -13.488 -7.274 482 1HB ALA 49 3HB ALA 49 1.427 -12.111 -9.317 483 2HB ALA 49 2HB ALA 49 2.779 -11.550 -8.334 484 3HB ALA 49 1HB ALA 49 2.615 -13.265 -8.709 485 QB ALA 49 QB ALA 49 2.274 -12.309 -8.787 486 H THR 50 H THR 50 1.896 -10.526 -5.802 487 HA THR 50 HA THR 50 3.409 -12.183 -3.814 488 HB THR 50 HB THR 50 5.075 -10.333 -3.804 489 HG1 THR 50 1HG THR 50 3.526 -9.368 -5.972 490 1HG2 THR 50 1HG2 THR 50 5.026 -12.357 -5.480 491 2HG2 THR 50 3HG2 THR 50 4.704 -11.105 -6.678 492 3HG2 THR 50 2HG2 THR 50 6.185 -11.049 -5.723 493 QG2 THR 50 QG2 THR 50 5.305 -11.504 -5.960 494 H LYS 51 H LYS 51 0.712 -10.377 -4.179 495 HA LYS 51 HA LYS 51 -0.616 -9.072 -2.731 496 1HB LYS 51 2HB LYS 51 1.263 -10.375 -0.728 497 2HB LYS 51 1HB LYS 51 -0.289 -9.635 -0.336 498 1HG LYS 51 2HG LYS 51 -0.067 -11.845 -2.382 499 2HG LYS 51 1HG LYS 51 -0.261 -12.193 -0.662 500 1HD LYS 51 2HD LYS 51 -2.299 -10.715 -0.667 501 2HD LYS 51 1HD LYS 51 -2.144 -10.596 -2.419 502 1HE LYS 51 2HE LYS 51 -2.635 -12.884 -2.742 503 2HE LYS 51 1HE LYS 51 -2.253 -13.292 -1.058 504 1HZ LYS 51 2HZ LYS 51 -4.450 -11.465 -1.876 505 2HZ LYS 51 1HZ LYS 51 -4.673 -13.107 -1.497 506 3HZ LYS 51 3HZ LYS 51 -4.123 -12.031 -0.307 507 QB LYS 51 QB LYS 51 0.487 -10.005 -0.532 508 QG LYS 51 QG LYS 51 -0.164 -12.019 -1.522 509 QD LYS 51 QD LYS 51 -2.221 -10.655 -1.543 510 QE LYS 51 QE LYS 51 -2.444 -13.088 -1.900 511 QZ LYS 51 QZ LYS 51 -4.415 -12.201 -1.226 512 H THR 52 H THR 52 1.572 -7.702 -3.952 513 HA THR 52 HA THR 52 2.251 -5.725 -1.790 514 HB THR 52 HB THR 52 3.991 -6.627 -4.107 515 HG1 THR 52 1HG THR 52 4.238 -8.280 -2.827 516 1HG2 THR 52 3HG2 THR 52 4.351 -4.730 -1.796 517 2HG2 THR 52 2HG2 THR 52 5.741 -5.505 -2.556 518 3HG2 THR 52 1HG2 THR 52 4.685 -4.460 -3.507 519 QG2 THR 52 QG2 THR 52 4.926 -4.898 -2.620 520 H PHE 53 H PHE 53 1.791 -3.609 -2.336 521 HA PHE 53 HA PHE 53 0.589 -3.083 -4.980 522 1HB PHE 53 2HB PHE 53 0.901 -1.526 -2.402 523 2HB PHE 53 1HB PHE 53 0.101 -0.865 -3.828 524 HD1 PHE 53 2HD PHE 53 0.012 -3.718 -1.412 525 HD2 PHE 53 1HD PHE 53 -2.168 -1.403 -4.310 526 HE1 PHE 53 2HE PHE 53 -2.091 -4.875 -0.761 527 HE2 PHE 53 1HE PHE 53 -4.254 -2.563 -3.659 528 1HZ PHE 53 HZ PHE 53 -4.217 -4.299 -1.890 529 QB PHE 53 QB PHE 53 0.501 -1.195 -3.115 530 QG PHE 53 QD PHE 53 -1.078 -2.561 -2.861 531 QZ PHE 53 QE PHE 53 -3.172 -3.719 -2.210 532 QZ PHE 53 QR PHE 53 -2.543 -3.372 -2.407 533 H THR 54 H THR 54 1.293 -0.418 -5.495 534 HA THR 54 HA THR 54 4.231 -0.148 -5.342 535 HB THR 54 HB THR 54 2.940 -0.169 -8.064 536 HG1 THR 54 1HG THR 54 3.463 -2.365 -8.220 537 1HG2 THR 54 1HG2 THR 54 5.394 0.557 -7.303 538 2HG2 THR 54 3HG2 THR 54 5.680 -1.176 -7.462 539 3HG2 THR 54 2HG2 THR 54 5.103 -0.247 -8.844 540 QG2 THR 54 QG2 THR 54 5.392 -0.289 -7.870 541 H VAL 55 H VAL 55 4.081 1.919 -4.517 542 HA VAL 55 HA VAL 55 2.325 3.834 -5.979 543 HB VAL 55 HB VAL 55 1.594 3.415 -3.715 544 1HG1 VAL 55 3HG1 VAL 55 4.450 4.094 -2.935 545 2HG1 VAL 55 2HG1 VAL 55 3.112 3.924 -1.792 546 3HG1 VAL 55 1HG1 VAL 55 3.629 2.535 -2.748 547 1HG2 VAL 55 3HG2 VAL 55 3.053 6.065 -3.926 548 2HG2 VAL 55 2HG2 VAL 55 1.404 5.735 -4.454 549 3HG2 VAL 55 1HG2 VAL 55 1.806 5.695 -2.737 550 QG1 VAL 55 QG1 VAL 55 3.730 3.518 -2.492 551 QG2 VAL 55 QG2 VAL 55 2.088 5.832 -3.706 552 QQG VAL 55 QQG VAL 55 2.909 4.675 -3.099 553 H THR 56 H THR 56 3.260 5.506 -6.981 554 HA THR 56 HA THR 56 6.057 6.241 -6.218 555 HB THR 56 HB THR 56 5.380 4.870 -8.436 556 HG1 THR 56 1HG THR 56 7.267 6.968 -8.553 557 1HG2 THR 56 3HG2 THR 56 3.899 6.728 -9.275 558 2HG2 THR 56 2HG2 THR 56 5.344 7.728 -9.433 559 3HG2 THR 56 1HG2 THR 56 5.183 6.254 -10.389 560 QG2 THR 56 QG2 THR 56 4.809 6.903 -9.699 561 H GLU 57 H GLU 57 6.403 8.497 -7.662 562 HA GLU 57 HA GLU 57 4.096 10.263 -6.886 563 1HB GLU 57 2HB GLU 57 6.331 10.218 -5.526 564 2HB GLU 57 1HB GLU 57 6.992 11.110 -6.897 565 1HG GLU 57 2HG GLU 57 4.900 12.641 -6.600 566 2HG GLU 57 1HG GLU 57 4.817 11.933 -4.987 567 QB GLU 57 QB GLU 57 6.662 10.664 -6.212 568 QG GLU 57 QG GLU 57 4.858 12.287 -5.794 No H/Q in entry = 568 Start of MODEL 5 1 1H MET 1 1HT MET 1 -3.022 -12.747 8.810 2 2H MET 1 3HT MET 1 -1.928 -13.441 9.904 3 3H MET 1 2HT MET 1 -1.578 -11.938 9.194 4 HA MET 1 HA MET 1 -0.278 -13.680 8.132 5 1HB MET 1 2HB MET 1 -2.930 -14.918 8.368 6 2HB MET 1 1HB MET 1 -2.197 -15.171 6.785 7 1HG MET 1 2HG MET 1 -0.687 -15.656 9.359 8 2HG MET 1 1HG MET 1 -1.635 -16.916 8.567 9 1HE MET 1 3HE MET 1 0.239 -18.106 8.867 10 2HE MET 1 2HE MET 1 0.992 -18.607 7.354 11 3HE MET 1 1HE MET 1 1.897 -17.614 8.493 12 QB MET 1 QB MET 1 -2.564 -15.044 7.576 13 QG MET 1 QG MET 1 -1.161 -16.286 8.963 14 QE MET 1 QE MET 1 1.043 -18.109 8.238 15 H THR 2 H THR 2 -2.570 -11.336 7.463 16 HA THR 2 HA THR 2 -2.196 -11.490 4.503 17 HB THR 2 HB THR 2 -4.034 -9.792 6.223 18 HG1 THR 2 1HG THR 2 -5.460 -11.365 6.031 19 1HG2 THR 2 2HG2 THR 2 -3.569 -10.094 3.295 20 2HG2 THR 2 1HG2 THR 2 -5.240 -9.927 3.832 21 3HG2 THR 2 3HG2 THR 2 -4.063 -8.671 4.214 22 QG2 THR 2 QG2 THR 2 -4.291 -9.564 3.780 23 H THR 3 H THR 3 0.041 -10.672 6.121 24 HA THR 3 HA THR 3 0.270 -7.830 6.431 25 HB THR 3 HB THR 3 2.506 -9.746 5.736 26 HG1 THR 3 1HG THR 3 1.302 -9.367 8.272 27 1HG2 THR 3 1HG2 THR 3 2.624 -7.116 6.254 28 2HG2 THR 3 3HG2 THR 3 2.627 -7.718 7.913 29 3HG2 THR 3 2HG2 THR 3 3.882 -8.235 6.786 30 QG2 THR 3 QG2 THR 3 3.044 -7.690 6.985 31 H PHE 4 H PHE 4 -0.678 -6.984 4.434 32 HA PHE 4 HA PHE 4 0.429 -7.571 1.819 33 1HB PHE 4 2HB PHE 4 -1.483 -5.678 3.094 34 2HB PHE 4 1HB PHE 4 -0.794 -5.163 1.553 35 HD1 PHE 4 1HD PHE 4 -0.827 -6.897 -0.383 36 HD2 PHE 4 2HD PHE 4 -3.289 -7.185 3.122 37 HE1 PHE 4 1HE PHE 4 -2.359 -8.426 -1.588 38 HE2 PHE 4 2HE PHE 4 -4.825 -8.713 1.913 39 1HZ PHE 4 HZ PHE 4 -4.359 -9.334 -0.440 40 QB PHE 4 QB PHE 4 -1.138 -5.421 2.323 41 QG PHE 4 QD PHE 4 -2.058 -7.041 1.370 42 QZ PHE 4 QE PHE 4 -3.592 -8.569 0.162 43 QZ PHE 4 QR PHE 4 -3.132 -8.111 0.525 44 H LYS 5 H LYS 5 2.079 -6.486 0.721 45 HA LYS 5 HA LYS 5 3.687 -4.555 2.335 46 1HB LYS 5 2HB LYS 5 4.242 -6.431 0.028 47 2HB LYS 5 1HB LYS 5 5.414 -5.218 0.545 48 1HG LYS 5 2HG LYS 5 5.905 -6.322 2.488 49 2HG LYS 5 1HG LYS 5 4.249 -6.894 2.701 50 1HD LYS 5 2HD LYS 5 5.754 -7.997 0.382 51 2HD LYS 5 1HD LYS 5 6.258 -8.537 1.983 52 1HE LYS 5 2HE LYS 5 3.712 -8.940 2.404 53 2HE LYS 5 1HE LYS 5 3.584 -8.893 0.634 54 1HZ LYS 5 1HZ LYS 5 5.597 -10.527 2.075 55 2HZ LYS 5 3HZ LYS 5 4.091 -11.140 1.590 56 3HZ LYS 5 2HZ LYS 5 5.199 -10.591 0.424 57 QB LYS 5 QB LYS 5 4.828 -5.824 0.287 58 QG LYS 5 QG LYS 5 5.077 -6.608 2.595 59 QD LYS 5 QD LYS 5 6.006 -8.267 1.182 60 QE LYS 5 QE LYS 5 3.648 -8.917 1.519 61 QZ LYS 5 QZ LYS 5 4.962 -10.753 1.363 62 H LEU 6 H LEU 6 4.789 -2.814 0.989 63 HA LEU 6 HA LEU 6 3.185 -1.951 -1.378 64 1HB LEU 6 2HB LEU 6 2.201 -0.936 0.633 65 2HB LEU 6 1HB LEU 6 3.783 -0.337 1.127 66 HG LEU 6 HG LEU 6 3.822 0.886 -1.154 67 1HD1 LEU 6 2HD1 LEU 6 1.036 -0.180 -1.023 68 2HD1 LEU 6 1HD1 LEU 6 1.263 1.449 -1.659 69 3HD1 LEU 6 3HD1 LEU 6 2.073 0.083 -2.426 70 1HD2 LEU 6 3HD2 LEU 6 3.287 1.800 1.246 71 2HD2 LEU 6 2HD2 LEU 6 2.909 2.801 -0.156 72 3HD2 LEU 6 1HD2 LEU 6 1.633 1.894 0.646 73 QB LEU 6 QB LEU 6 2.992 -0.637 0.880 74 QD1 LEU 6 QD1 LEU 6 1.457 0.451 -1.703 75 QD2 LEU 6 QD2 LEU 6 2.610 2.165 0.579 76 QQD LEU 6 QQD LEU 6 2.034 1.308 -0.562 77 H ILE 7 H ILE 7 4.864 -1.998 -2.876 78 HA ILE 7 HA ILE 7 7.587 -1.155 -2.219 79 HB ILE 7 HB ILE 7 6.142 -1.729 -4.838 80 1HG1 ILE 7 2HG1 ILE 7 8.114 -3.509 -3.401 81 2HG1 ILE 7 1HG1 ILE 7 6.389 -3.573 -3.036 82 1HG2 ILE 7 2HG2 ILE 7 8.973 -1.037 -4.158 83 2HG2 ILE 7 1HG2 ILE 7 8.693 -2.231 -5.424 84 3HG2 ILE 7 3HG2 ILE 7 8.026 -0.606 -5.581 85 1HD1 ILE 7 2HD1 ILE 7 7.206 -3.665 -5.908 86 2HD1 ILE 7 1HD1 ILE 7 7.464 -5.113 -4.934 87 3HD1 ILE 7 3HD1 ILE 7 5.842 -4.442 -5.105 88 QG1 ILE 7 QG1 ILE 7 7.252 -3.541 -3.219 89 QG2 ILE 7 QG2 ILE 7 8.564 -1.291 -5.054 90 QD1 ILE 7 QD1 ILE 7 6.837 -4.407 -5.316 91 H ILE 8 H ILE 8 7.854 1.030 -1.828 92 HA ILE 8 HA ILE 8 6.061 2.971 -3.092 93 HB ILE 8 HB ILE 8 8.543 3.584 -1.491 94 1HG1 ILE 8 2HG1 ILE 8 7.046 1.853 -0.308 95 2HG1 ILE 8 1HG1 ILE 8 7.360 3.334 0.575 96 1HG2 ILE 8 1HG2 ILE 8 6.037 4.982 -2.322 97 2HG2 ILE 8 3HG2 ILE 8 6.733 5.407 -0.757 98 3HG2 ILE 8 2HG2 ILE 8 7.693 5.596 -2.224 99 1HD1 ILE 8 1HD1 ILE 8 5.168 4.222 -0.162 100 2HD1 ILE 8 3HD1 ILE 8 4.858 2.707 -1.015 101 3HD1 ILE 8 2HD1 ILE 8 4.994 2.716 0.742 102 QG1 ILE 8 QG1 ILE 8 7.203 2.593 0.134 103 QG2 ILE 8 QG2 ILE 8 6.821 5.328 -1.768 104 QD1 ILE 8 QD1 ILE 8 5.007 3.215 -0.145 105 H ASN 9 H ASN 9 6.478 3.544 -5.198 106 HA ASN 9 HA ASN 9 9.287 3.546 -6.189 107 1HB ASN 9 2HB ASN 9 7.433 2.354 -7.379 108 2HB ASN 9 1HB ASN 9 6.632 3.906 -7.620 109 1HD2 ASN 9 2HD2 ASN 9 8.619 4.753 -10.398 110 2HD2 ASN 9 1HD2 ASN 9 7.266 5.109 -9.437 111 QB ASN 9 QB ASN 9 7.032 3.130 -7.499 112 QD2 ASN 9 QD2 ASN 9 7.942 4.931 -9.917 113 H GLY 10 H GLY 10 10.107 5.451 -7.315 114 1HA GLY 10 2HA GLY 10 9.702 7.799 -8.056 115 2HA GLY 10 1HA GLY 10 8.663 7.987 -6.644 116 QA GLY 10 QA GLY 10 9.182 7.893 -7.350 117 H LYS 11 H LYS 11 9.771 9.561 -5.507 118 HA LYS 11 HA LYS 11 12.566 8.878 -4.652 119 1HB LYS 11 2HB LYS 11 13.008 11.330 -4.773 120 2HB LYS 11 1HB LYS 11 12.550 10.664 -6.339 121 1HG LYS 11 2HG LYS 11 10.411 11.628 -6.269 122 2HG LYS 11 1HG LYS 11 10.447 11.817 -4.516 123 1HD LYS 11 2HD LYS 11 12.528 13.262 -6.093 124 2HD LYS 11 1HD LYS 11 10.879 13.885 -6.158 125 1HE LYS 11 2HE LYS 11 10.822 14.342 -3.850 126 2HE LYS 11 1HE LYS 11 12.145 13.211 -3.501 127 1HZ LYS 11 2HZ LYS 11 12.440 15.635 -5.192 128 2HZ LYS 11 1HZ LYS 11 12.843 15.585 -3.543 129 3HZ LYS 11 3HZ LYS 11 13.679 14.607 -4.649 130 QB LYS 11 QB LYS 11 12.779 10.997 -5.556 131 QG LYS 11 QG LYS 11 10.429 11.723 -5.393 132 QD LYS 11 QD LYS 11 11.704 13.574 -6.125 133 QE LYS 11 QE LYS 11 11.484 13.776 -3.675 134 QZ LYS 11 QZ LYS 11 12.987 15.276 -4.461 135 H THR 12 H THR 12 9.889 8.456 -3.343 136 HA THR 12 HA THR 12 10.458 9.941 -0.802 137 HB THR 12 HB THR 12 7.909 10.088 -0.625 138 HG1 THR 12 1HG THR 12 6.794 9.825 -2.547 139 1HG2 THR 12 3HG2 THR 12 9.684 11.841 -1.603 140 2HG2 THR 12 2HG2 THR 12 8.725 11.594 -3.063 141 3HG2 THR 12 1HG2 THR 12 7.953 12.174 -1.588 142 QG2 THR 12 QG2 THR 12 8.787 11.870 -2.085 143 H LEU 13 H LEU 13 10.085 8.707 1.063 144 HA LEU 13 HA LEU 13 9.787 6.784 2.383 145 1HB LEU 13 2HB LEU 13 7.694 6.747 0.300 146 2HB LEU 13 1HB LEU 13 8.031 5.167 1.001 147 HG LEU 13 HG LEU 13 7.385 7.685 2.558 148 1HD1 LEU 13 3HD1 LEU 13 5.748 5.484 1.417 149 2HD1 LEU 13 2HD1 LEU 13 5.404 5.878 3.103 150 3HD1 LEU 13 1HD1 LEU 13 5.277 7.124 1.865 151 1HD2 LEU 13 3HD2 LEU 13 8.160 4.882 3.325 152 2HD2 LEU 13 2HD2 LEU 13 8.666 6.410 4.043 153 3HD2 LEU 13 1HD2 LEU 13 7.049 5.779 4.361 154 QB LEU 13 QB LEU 13 7.863 5.957 0.651 155 QD1 LEU 13 QD1 LEU 13 5.477 6.162 2.128 156 QD2 LEU 13 QD2 LEU 13 7.958 5.690 3.910 157 QQD LEU 13 QQD LEU 13 6.717 5.926 3.019 158 H LYS 14 H LYS 14 9.341 5.231 -0.792 159 HA LYS 14 HA LYS 14 10.521 3.467 -1.825 160 1HB LYS 14 2HB LYS 14 12.575 5.259 -0.566 161 2HB LYS 14 1HB LYS 14 13.108 3.748 -1.302 162 1HG LYS 14 2HG LYS 14 12.204 4.362 -3.433 163 2HG LYS 14 1HG LYS 14 11.333 5.731 -2.741 164 1HD LYS 14 2HD LYS 14 13.217 6.759 -3.688 165 2HD LYS 14 1HD LYS 14 13.700 6.551 -2.004 166 1HE LYS 14 2HE LYS 14 15.240 4.905 -2.508 167 2HE LYS 14 1HE LYS 14 14.295 4.300 -3.884 168 1HZ LYS 14 2HZ LYS 14 15.589 6.972 -3.833 169 2HZ LYS 14 1HZ LYS 14 16.321 5.599 -4.516 170 3HZ LYS 14 3HZ LYS 14 14.873 6.197 -5.164 171 QB LYS 14 QB LYS 14 12.841 4.504 -0.934 172 QG LYS 14 QG LYS 14 11.769 5.047 -3.087 173 QD LYS 14 QD LYS 14 13.459 6.655 -2.846 174 QE LYS 14 QE LYS 14 14.768 4.602 -3.196 175 QZ LYS 14 QZ LYS 14 15.594 6.256 -4.504 176 H GLY 15 H GLY 15 9.778 1.604 -0.759 177 1HA GLY 15 2HA GLY 15 11.367 -0.162 0.539 178 2HA GLY 15 1HA GLY 15 10.883 0.880 1.876 179 QA GLY 15 QA GLY 15 11.125 0.359 1.207 180 H GLU 16 H GLU 16 10.012 -1.419 2.456 181 HA GLU 16 HA GLU 16 7.136 -1.541 1.613 182 1HB GLU 16 2HB GLU 16 9.336 -3.510 1.376 183 2HB GLU 16 1HB GLU 16 7.839 -4.159 2.045 184 1HG GLU 16 2HG GLU 16 6.620 -3.090 0.097 185 2HG GLU 16 1HG GLU 16 8.200 -2.742 -0.605 186 QB GLU 16 QB GLU 16 8.588 -3.834 1.710 187 QG GLU 16 QG GLU 16 7.410 -2.916 -0.254 188 H ILE 17 H ILE 17 6.724 -0.468 3.699 189 HA ILE 17 HA ILE 17 7.652 -1.367 6.231 190 HB ILE 17 HB ILE 17 6.532 0.780 5.781 191 1HG1 ILE 17 2HG1 ILE 17 4.892 -0.884 7.714 192 2HG1 ILE 17 1HG1 ILE 17 6.489 -0.235 8.083 193 1HG2 ILE 17 3HG2 ILE 17 4.143 -1.000 5.257 194 2HG2 ILE 17 2HG2 ILE 17 3.996 0.727 5.579 195 3HG2 ILE 17 1HG2 ILE 17 4.880 0.166 4.159 196 1HD1 ILE 17 3HD1 ILE 17 5.468 2.051 7.360 197 2HD1 ILE 17 2HD1 ILE 17 3.916 1.253 7.608 198 3HD1 ILE 17 1HD1 ILE 17 5.051 1.408 8.948 199 QG1 ILE 17 QG1 ILE 17 5.691 -0.560 7.899 200 QG2 ILE 17 QG2 ILE 17 4.340 -0.036 4.998 201 QD1 ILE 17 QD1 ILE 17 4.811 1.571 7.972 202 H THR 18 H THR 18 5.160 -2.659 4.136 203 HA THR 18 HA THR 18 3.816 -4.579 4.286 204 HB THR 18 HB THR 18 4.786 -6.448 5.321 205 HG1 THR 18 1HG THR 18 6.111 -6.270 7.155 206 1HG2 THR 18 2HG2 THR 18 6.461 -4.778 3.929 207 2HG2 THR 18 1HG2 THR 18 7.374 -5.054 5.413 208 3HG2 THR 18 3HG2 THR 18 6.862 -6.422 4.425 209 QG2 THR 18 QG2 THR 18 6.899 -5.418 4.589 210 H ILE 19 H ILE 19 1.801 -4.660 5.119 211 HA ILE 19 HA ILE 19 1.414 -4.183 8.042 212 HB ILE 19 HB ILE 19 -0.382 -2.559 7.507 213 1HG1 ILE 19 2HG1 ILE 19 -0.028 -1.725 4.950 214 2HG1 ILE 19 1HG1 ILE 19 0.283 -3.449 4.748 215 1HG2 ILE 19 1HG2 ILE 19 1.958 -1.793 7.889 216 2HG2 ILE 19 3HG2 ILE 19 2.241 -1.872 6.150 217 3HG2 ILE 19 2HG2 ILE 19 1.069 -0.727 6.801 218 1HD1 ILE 19 3HD1 ILE 19 -1.916 -3.627 6.268 219 2HD1 ILE 19 2HD1 ILE 19 -2.234 -2.054 5.536 220 3HD1 ILE 19 1HD1 ILE 19 -2.010 -3.474 4.513 221 QG1 ILE 19 QG1 ILE 19 0.127 -2.587 4.849 222 QG2 ILE 19 QG2 ILE 19 1.756 -1.464 6.947 223 QD1 ILE 19 QD1 ILE 19 -2.053 -3.052 5.439 224 H GLU 20 H GLU 20 -0.396 -5.254 8.899 225 HA GLU 20 HA GLU 20 -1.499 -7.450 7.291 226 1HB GLU 20 2HB GLU 20 -1.391 -6.534 10.115 227 2HB GLU 20 1HB GLU 20 -2.806 -7.494 9.680 228 1HG GLU 20 2HG GLU 20 -1.184 -9.160 8.625 229 2HG GLU 20 1HG GLU 20 0.106 -8.273 9.438 230 QB GLU 20 QB GLU 20 -2.098 -7.014 9.898 231 QG GLU 20 QG GLU 20 -0.539 -8.716 9.032 232 H ALA 21 H ALA 21 -3.777 -7.717 6.858 233 HA ALA 21 HA ALA 21 -5.720 -5.641 7.505 234 1HB ALA 21 2HB ALA 21 -4.491 -5.838 4.737 235 2HB ALA 21 1HB ALA 21 -5.964 -4.932 5.090 236 3HB ALA 21 3HB ALA 21 -4.433 -4.451 5.825 237 QB ALA 21 QB ALA 21 -4.963 -5.074 5.217 238 H VAL 22 H VAL 22 -7.855 -6.191 6.645 239 HA VAL 22 HA VAL 22 -8.554 -8.910 6.673 240 HB VAL 22 HB VAL 22 -10.091 -7.013 7.009 241 1HG1 VAL 22 2HG1 VAL 22 -8.966 -5.702 5.066 242 2HG1 VAL 22 1HG1 VAL 22 -10.095 -6.568 4.026 243 3HG1 VAL 22 3HG1 VAL 22 -10.703 -5.510 5.300 244 1HG2 VAL 22 2HG2 VAL 22 -10.796 -8.835 4.689 245 2HG2 VAL 22 1HG2 VAL 22 -11.139 -9.109 6.397 246 3HG2 VAL 22 3HG2 VAL 22 -11.969 -7.819 5.527 247 QG1 VAL 22 QG1 VAL 22 -9.921 -5.927 4.797 248 QG2 VAL 22 QG2 VAL 22 -11.301 -8.588 5.538 249 QQG VAL 22 QQG VAL 22 -10.611 -7.257 5.168 250 H ASP 23 H ASP 23 -7.781 -6.823 3.915 251 HA ASP 23 HA ASP 23 -7.070 -9.140 2.256 252 1HB ASP 23 2HB ASP 23 -9.621 -7.593 2.015 253 2HB ASP 23 1HB ASP 23 -8.822 -8.082 0.521 254 QB ASP 23 QB ASP 23 -9.221 -7.838 1.268 255 H ALA 24 H ALA 24 -6.676 -8.097 -0.138 256 HA ALA 24 HA ALA 24 -4.622 -6.114 0.191 257 1HB ALA 24 1HB ALA 24 -5.276 -7.931 -1.691 258 2HB ALA 24 3HB ALA 24 -5.963 -6.491 -2.445 259 3HB ALA 24 2HB ALA 24 -4.247 -6.541 -2.040 260 QB ALA 24 QB ALA 24 -5.162 -6.988 -2.059 261 H ALA 25 H ALA 25 -8.065 -5.912 -0.505 262 HA ALA 25 HA ALA 25 -8.265 -3.322 -1.606 263 1HB ALA 25 3HB ALA 25 -9.981 -5.148 0.028 264 2HB ALA 25 2HB ALA 25 -10.531 -3.489 -0.203 265 3HB ALA 25 1HB ALA 25 -10.248 -4.528 -1.601 266 QB ALA 25 QB ALA 25 -10.253 -4.388 -0.592 267 H GLU 26 H GLU 26 -8.452 -4.294 1.833 268 HA GLU 26 HA GLU 26 -8.560 -1.614 2.889 269 1HB GLU 26 2HB GLU 26 -8.139 -4.401 3.836 270 2HB GLU 26 1HB GLU 26 -7.523 -3.132 4.897 271 1HG GLU 26 2HG GLU 26 -9.947 -2.084 4.298 272 2HG GLU 26 1HG GLU 26 -10.327 -3.803 4.184 273 QB GLU 26 QB GLU 26 -7.831 -3.766 4.367 274 QG GLU 26 QG GLU 26 -10.137 -2.944 4.241 275 H ALA 27 H ALA 27 -5.889 -3.907 2.320 276 HA ALA 27 HA ALA 27 -3.739 -2.462 3.463 277 1HB ALA 27 2HB ALA 27 -4.161 -4.497 1.346 278 2HB ALA 27 1HB ALA 27 -2.634 -3.616 1.245 279 3HB ALA 27 3HB ALA 27 -3.043 -4.512 2.711 280 QB ALA 27 QB ALA 27 -3.279 -4.208 1.767 281 H GLU 28 H GLU 28 -5.058 -2.260 0.138 282 HA GLU 28 HA GLU 28 -3.304 -0.262 -0.878 283 1HB GLU 28 2HB GLU 28 -5.216 -1.762 -1.927 284 2HB GLU 28 1HB GLU 28 -6.225 -0.356 -1.589 285 1HG GLU 28 2HG GLU 28 -4.363 1.005 -2.780 286 2HG GLU 28 1HG GLU 28 -3.826 -0.552 -3.415 287 QB GLU 28 QB GLU 28 -5.721 -1.059 -1.758 288 QG GLU 28 QG GLU 28 -4.094 0.227 -3.097 289 H LYS 29 H LYS 29 -6.317 0.017 1.011 290 HA LYS 29 HA LYS 29 -6.488 2.911 0.878 291 1HB LYS 29 2HB LYS 29 -7.638 0.711 2.582 292 2HB LYS 29 1HB LYS 29 -7.941 2.400 2.983 293 1HG LYS 29 2HG LYS 29 -8.467 2.414 0.304 294 2HG LYS 29 1HG LYS 29 -8.979 0.782 0.733 295 1HD LYS 29 2HD LYS 29 -10.915 2.096 1.080 296 2HD LYS 29 1HD LYS 29 -10.237 1.900 2.696 297 1HE LYS 29 2HE LYS 29 -10.414 4.185 2.784 298 2HE LYS 29 1HE LYS 29 -8.926 4.161 1.818 299 1HZ LYS 29 2HZ LYS 29 -10.381 3.932 -0.178 300 2HZ LYS 29 1HZ LYS 29 -11.720 4.249 0.819 301 3HZ LYS 29 3HZ LYS 29 -10.519 5.428 0.614 302 QB LYS 29 QB LYS 29 -7.789 1.555 2.783 303 QG LYS 29 QG LYS 29 -8.723 1.598 0.519 304 QD LYS 29 QD LYS 29 -10.576 1.998 1.888 305 QE LYS 29 QE LYS 29 -9.670 4.173 2.301 306 QZ LYS 29 QZ LYS 29 -10.873 4.536 0.418 307 H ILE 30 H ILE 30 -5.381 0.668 3.443 308 HA ILE 30 HA ILE 30 -4.427 2.614 5.292 309 HB ILE 30 HB ILE 30 -3.443 -0.197 4.662 310 1HG1 ILE 30 2HG1 ILE 30 -5.265 0.503 6.937 311 2HG1 ILE 30 1HG1 ILE 30 -5.954 0.375 5.319 312 1HG2 ILE 30 3HG2 ILE 30 -1.915 1.232 6.095 313 2HG2 ILE 30 2HG2 ILE 30 -3.232 1.346 7.263 314 3HG2 ILE 30 1HG2 ILE 30 -2.518 -0.223 6.890 315 1HD1 ILE 30 1HD1 ILE 30 -4.111 -1.816 6.088 316 2HD1 ILE 30 3HD1 ILE 30 -5.630 -1.752 6.982 317 3HD1 ILE 30 2HD1 ILE 30 -5.647 -1.886 5.224 318 QG1 ILE 30 QG1 ILE 30 -5.610 0.439 6.128 319 QG2 ILE 30 QG2 ILE 30 -2.555 0.785 6.749 320 QD1 ILE 30 QD1 ILE 30 -5.130 -1.818 6.098 321 H PHE 31 H PHE 31 -2.959 1.138 2.443 322 HA PHE 31 HA PHE 31 -0.325 2.342 2.844 323 1HB PHE 31 2HB PHE 31 -1.785 0.756 0.747 324 2HB PHE 31 1HB PHE 31 -0.288 1.570 0.300 325 HD1 PHE 31 1HD PHE 31 1.427 1.357 2.599 326 HD2 PHE 31 2HD PHE 31 -1.378 -1.511 1.064 327 HE1 PHE 31 1HE PHE 31 2.733 -0.474 3.642 328 HE2 PHE 31 2HE PHE 31 -0.069 -3.345 2.108 329 1HZ PHE 31 HZ PHE 31 1.986 -2.823 3.397 330 QB PHE 31 QB PHE 31 -1.037 1.163 0.524 331 QG PHE 31 QD PHE 31 0.024 -0.077 1.831 332 QZ PHE 31 QE PHE 31 1.332 -1.909 2.875 333 QZ PHE 31 QR PHE 31 0.940 -1.359 2.562 334 H LYS 32 H LYS 32 -3.257 3.051 0.990 335 HA LYS 32 HA LYS 32 -2.157 5.293 -0.452 336 1HB LYS 32 2HB LYS 32 -4.863 4.109 0.042 337 2HB LYS 32 1HB LYS 32 -4.726 5.676 -0.753 338 1HG LYS 32 2HG LYS 32 -3.330 4.751 -2.494 339 2HG LYS 32 1HG LYS 32 -3.241 3.199 -1.662 340 1HD LYS 32 2HD LYS 32 -5.406 2.612 -2.236 341 2HD LYS 32 1HD LYS 32 -5.948 4.288 -2.324 342 1HE LYS 32 2HE LYS 32 -4.288 4.435 -4.363 343 2HE LYS 32 1HE LYS 32 -4.481 2.672 -4.392 344 1HZ LYS 32 3HZ LYS 32 -6.914 3.039 -4.269 345 2HZ LYS 32 2HZ LYS 32 -6.645 4.706 -4.457 346 3HZ LYS 32 1HZ LYS 32 -6.223 3.629 -5.701 347 QB LYS 32 QB LYS 32 -4.795 4.892 -0.355 348 QG LYS 32 QG LYS 32 -3.285 3.975 -2.078 349 QD LYS 32 QD LYS 32 -5.677 3.450 -2.280 350 QE LYS 32 QE LYS 32 -4.385 3.554 -4.378 351 QZ LYS 32 QZ LYS 32 -6.594 3.792 -4.809 352 H GLN 33 H GLN 33 -2.850 4.991 2.825 353 HA GLN 33 HA GLN 33 -3.618 7.900 3.075 354 1HB GLN 33 2HB GLN 33 -3.940 5.428 4.799 355 2HB GLN 33 1HB GLN 33 -4.085 7.044 5.489 356 1HG GLN 33 2HG GLN 33 -5.691 7.314 3.316 357 2HG GLN 33 1HG GLN 33 -5.921 5.599 3.662 358 1HE2 GLN 33 2HE2 GLN 33 -7.898 6.196 6.519 359 2HE2 GLN 33 1HE2 GLN 33 -7.255 5.059 5.435 360 QB GLN 33 QB GLN 33 -4.012 6.236 5.144 361 QG GLN 33 QG GLN 33 -5.806 6.457 3.489 362 QE2 GLN 33 QE2 GLN 33 -7.576 5.628 5.977 363 H TYR 34 H TYR 34 -1.653 5.276 4.254 364 HA TYR 34 HA TYR 34 0.255 6.518 5.909 365 1HB TYR 34 2HB TYR 34 0.139 4.171 5.768 366 2HB TYR 34 1HB TYR 34 -0.001 4.195 4.006 367 HD1 TYR 34 1HD TYR 34 2.437 5.061 6.755 368 HD2 TYR 34 2HD TYR 34 1.897 3.607 2.749 369 HE1 TYR 34 1HE TYR 34 4.872 4.622 6.586 370 HE2 TYR 34 2HE TYR 34 4.332 3.169 2.580 371 HH TYR 34 HH TYR 34 6.395 3.829 3.587 372 QB TYR 34 QB TYR 34 0.069 4.183 4.887 373 QG TYR 34 QD TYR 34 2.167 4.334 4.752 374 QZ TYR 34 QE TYR 34 4.602 3.895 4.583 375 QR TYR 34 QR TYR 34 3.384 4.115 4.668 376 H ALA 35 H ALA 35 0.018 6.306 2.384 377 HA ALA 35 HA ALA 35 2.609 7.406 1.694 378 1HB ALA 35 1HB ALA 35 -0.051 6.908 0.380 379 2HB ALA 35 3HB ALA 35 1.137 7.906 -0.459 380 3HB ALA 35 2HB ALA 35 1.532 6.243 -0.021 381 QB ALA 35 QB ALA 35 0.873 7.019 -0.033 382 H ASN 36 H ASN 36 -0.664 8.847 1.920 383 HA ASN 36 HA ASN 36 -0.016 11.510 1.183 384 1HB ASN 36 2HB ASN 36 -2.102 10.127 2.813 385 2HB ASN 36 1HB ASN 36 -2.033 11.888 2.873 386 1HD2 ASN 36 2HD2 ASN 36 -2.619 10.296 -0.878 387 2HD2 ASN 36 1HD2 ASN 36 -1.484 9.574 0.156 388 QB ASN 36 QB ASN 36 -2.068 11.008 2.843 389 QD2 ASN 36 QD2 ASN 36 -2.051 9.935 -0.361 390 H ASP 37 H ASP 37 -0.156 10.074 4.459 391 HA ASP 37 HA ASP 37 0.576 12.342 5.965 392 1HB ASP 37 2HB ASP 37 -0.189 10.002 6.683 393 2HB ASP 37 1HB ASP 37 1.500 9.521 6.518 394 QB ASP 37 QB ASP 37 0.655 9.762 6.600 395 H ASN 38 H ASN 38 2.553 10.367 3.915 396 HA ASN 38 HA ASN 38 5.033 11.559 4.975 397 1HB ASN 38 2HB ASN 38 4.216 9.096 3.559 398 2HB ASN 38 1HB ASN 38 5.783 9.750 3.080 399 1HD2 ASN 38 2HD2 ASN 38 5.667 7.628 6.405 400 2HD2 ASN 38 1HD2 ASN 38 4.572 7.503 5.115 401 QB ASN 38 QB ASN 38 5.000 9.423 3.319 402 QD2 ASN 38 QD2 ASN 38 5.120 7.565 5.760 403 H GLY 39 H GLY 39 2.947 11.526 2.161 404 1HA GLY 39 2HA GLY 39 2.986 13.490 0.660 405 2HA GLY 39 1HA GLY 39 4.738 13.543 0.871 406 QA GLY 39 QA GLY 39 3.862 13.516 0.766 407 H ILE 40 H ILE 40 2.972 10.547 0.406 408 HA ILE 40 HA ILE 40 4.503 10.063 -2.095 409 HB ILE 40 HB ILE 40 3.183 8.501 0.085 410 1HG1 ILE 40 2HG1 ILE 40 5.338 7.225 -0.128 411 2HG1 ILE 40 1HG1 ILE 40 5.816 8.381 -1.375 412 1HG2 ILE 40 3HG2 ILE 40 2.258 7.532 -2.065 413 2HG2 ILE 40 2HG2 ILE 40 3.920 7.163 -2.521 414 3HG2 ILE 40 1HG2 ILE 40 3.209 6.419 -1.086 415 1HD1 ILE 40 3HD1 ILE 40 4.893 9.224 1.372 416 2HD1 ILE 40 2HD1 ILE 40 6.595 8.939 0.981 417 3HD1 ILE 40 1HD1 ILE 40 5.695 10.212 0.144 418 QG1 ILE 40 QG1 ILE 40 5.577 7.803 -0.752 419 QG2 ILE 40 QG2 ILE 40 3.129 7.038 -1.890 420 QD1 ILE 40 QD1 ILE 40 5.728 9.458 0.832 421 H ASP 41 H ASP 41 3.411 10.898 -3.814 422 HA ASP 41 HA ASP 41 0.596 10.001 -4.263 423 1HB ASP 41 2HB ASP 41 1.668 12.810 -4.072 424 2HB ASP 41 1HB ASP 41 0.229 12.467 -5.035 425 QB ASP 41 QB ASP 41 0.949 12.638 -4.553 426 H GLY 42 H GLY 42 0.871 8.859 -6.147 427 1HA GLY 42 2HA GLY 42 1.609 10.264 -8.580 428 2HA GLY 42 1HA GLY 42 2.813 9.063 -8.119 429 QA GLY 42 QA GLY 42 2.211 9.664 -8.349 430 H GLU 43 H GLU 43 2.426 6.955 -8.688 431 HA GLU 43 HA GLU 43 -0.256 6.322 -9.876 432 1HB GLU 43 2HB GLU 43 2.296 6.133 -10.871 433 2HB GLU 43 1HB GLU 43 2.037 4.496 -10.269 434 1HG GLU 43 2HG GLU 43 1.075 4.217 -12.330 435 2HG GLU 43 1HG GLU 43 -0.331 4.889 -11.503 436 QB GLU 43 QB GLU 43 2.167 5.315 -10.570 437 QG GLU 43 QG GLU 43 0.372 4.553 -11.917 438 H TRP 44 H TRP 44 -0.696 3.806 -9.674 439 HA TRP 44 HA TRP 44 0.173 2.592 -7.092 440 1HB TRP 44 2HB TRP 44 -2.541 3.754 -7.715 441 2HB TRP 44 1HB TRP 44 -2.433 2.320 -6.689 442 HD1 TRP 44 HD TRP 44 -1.549 6.025 -6.759 443 HE1 TRP 44 1HE TRP 44 -0.890 6.748 -4.375 444 HE3 TRP 44 3HE TRP 44 -1.483 1.473 -4.481 445 HZ2 TRP 44 2HZ TRP 44 -0.394 5.542 -1.828 446 HZ3 TRP 44 3HZ TRP 44 -0.912 1.285 -2.066 447 HH2 TRP 44 HH TRP 44 -0.364 3.315 -0.749 448 QB TRP 44 QB TRP 44 -2.487 3.037 -7.202 449 H THR 45 H THR 45 0.322 0.417 -7.424 450 HA THR 45 HA THR 45 -1.534 -0.901 -9.351 451 HB THR 45 HB THR 45 0.239 -1.861 -10.616 452 HG1 THR 45 1HG THR 45 2.343 -1.838 -9.942 453 1HG2 THR 45 1HG2 THR 45 -0.129 0.539 -11.110 454 2HG2 THR 45 3HG2 THR 45 1.138 0.950 -9.953 455 3HG2 THR 45 2HG2 THR 45 1.539 0.050 -11.419 456 QG2 THR 45 QG2 THR 45 0.849 0.513 -10.827 457 H TYR 46 H TYR 46 -2.207 -2.824 -8.534 458 HA TYR 46 HA TYR 46 -0.923 -3.805 -6.035 459 1HB TYR 46 2HB TYR 46 -3.299 -3.395 -5.935 460 2HB TYR 46 1HB TYR 46 -3.578 -4.327 -7.409 461 HD1 TYR 46 2HD TYR 46 -1.689 -4.894 -4.210 462 HD2 TYR 46 1HD TYR 46 -4.591 -6.390 -6.999 463 HE1 TYR 46 2HE TYR 46 -1.909 -6.965 -2.869 464 HE2 TYR 46 1HE TYR 46 -4.804 -8.467 -5.662 465 HH TYR 46 HH TYR 46 -3.543 -9.746 -4.042 466 QB TYR 46 QB TYR 46 -3.439 -3.861 -6.672 467 QG TYR 46 QD TYR 46 -3.140 -5.642 -5.605 468 QZ TYR 46 QE TYR 46 -3.357 -7.716 -4.265 469 QR TYR 46 QR TYR 46 -3.248 -6.679 -4.935 470 H ASP 47 H ASP 47 -0.170 -5.957 -5.864 471 HA ASP 47 HA ASP 47 0.139 -7.436 -8.457 472 1HB ASP 47 2HB ASP 47 2.124 -6.308 -7.113 473 2HB ASP 47 1HB ASP 47 1.977 -7.746 -6.101 474 QB ASP 47 QB ASP 47 2.051 -7.027 -6.607 475 H ASP 48 H ASP 48 -1.610 -8.871 -8.223 476 HA ASP 48 HA ASP 48 -2.316 -10.186 -5.752 477 1HB ASP 48 2HB ASP 48 -3.753 -11.533 -7.274 478 2HB ASP 48 1HB ASP 48 -3.875 -9.805 -7.607 479 QB ASP 48 QB ASP 48 -3.814 -10.669 -7.441 480 H ALA 49 H ALA 49 0.355 -10.695 -7.763 481 HA ALA 49 HA ALA 49 0.503 -13.618 -7.370 482 1HB ALA 49 2HB ALA 49 2.359 -11.575 -8.642 483 2HB ALA 49 1HB ALA 49 2.559 -13.324 -8.737 484 3HB ALA 49 3HB ALA 49 1.167 -12.554 -9.499 485 QB ALA 49 QB ALA 49 2.028 -12.484 -8.959 486 H THR 50 H THR 50 1.808 -10.623 -6.059 487 HA THR 50 HA THR 50 3.382 -12.231 -4.075 488 HB THR 50 HB THR 50 5.007 -10.350 -4.142 489 HG1 THR 50 1HG THR 50 4.231 -8.568 -4.904 490 1HG2 THR 50 2HG2 THR 50 4.849 -12.383 -5.865 491 2HG2 THR 50 1HG2 THR 50 4.619 -11.063 -7.012 492 3HG2 THR 50 3HG2 THR 50 6.080 -11.130 -6.025 493 QG2 THR 50 QG2 THR 50 5.182 -11.526 -6.301 494 H LYS 51 H LYS 51 0.638 -10.470 -4.374 495 HA LYS 51 HA LYS 51 -0.665 -9.168 -2.900 496 1HB LYS 51 2HB LYS 51 1.270 -10.487 -0.963 497 2HB LYS 51 1HB LYS 51 -0.250 -9.720 -0.504 498 1HG LYS 51 2HG LYS 51 -0.417 -11.748 -2.668 499 2HG LYS 51 1HG LYS 51 -0.043 -12.362 -1.058 500 1HD LYS 51 2HD LYS 51 -2.022 -10.808 -0.307 501 2HD LYS 51 1HD LYS 51 -2.496 -10.909 -2.002 502 1HE LYS 51 2HE LYS 51 -3.634 -12.740 -1.033 503 2HE LYS 51 1HE LYS 51 -2.157 -13.498 -1.663 504 1HZ LYS 51 2HZ LYS 51 -2.459 -12.403 1.084 505 2HZ LYS 51 1HZ LYS 51 -2.561 -14.053 0.689 506 3HZ LYS 51 3HZ LYS 51 -1.103 -13.217 0.466 507 QB LYS 51 QB LYS 51 0.510 -10.104 -0.734 508 QG LYS 51 QG LYS 51 -0.230 -12.055 -1.863 509 QD LYS 51 QD LYS 51 -2.259 -10.858 -1.155 510 QE LYS 51 QE LYS 51 -2.895 -13.119 -1.348 511 QZ LYS 51 QZ LYS 51 -2.041 -13.224 0.747 512 H THR 52 H THR 52 1.540 -7.812 -4.159 513 HA THR 52 HA THR 52 2.255 -5.840 -2.003 514 HB THR 52 HB THR 52 3.946 -6.487 -4.420 515 HG1 THR 52 1HG THR 52 5.053 -7.931 -3.037 516 1HG2 THR 52 2HG2 THR 52 4.455 -4.436 -3.150 517 2HG2 THR 52 1HG2 THR 52 4.573 -5.384 -1.668 518 3HG2 THR 52 3HG2 THR 52 5.741 -5.628 -2.966 519 QG2 THR 52 QG2 THR 52 4.923 -5.149 -2.594 520 H PHE 53 H PHE 53 2.032 -3.663 -2.564 521 HA PHE 53 HA PHE 53 0.642 -3.097 -5.129 522 1HB PHE 53 2HB PHE 53 1.009 -1.629 -2.511 523 2HB PHE 53 1HB PHE 53 0.178 -0.915 -3.893 524 HD1 PHE 53 2HD PHE 53 0.126 -3.765 -1.497 525 HD2 PHE 53 1HD PHE 53 -2.080 -1.511 -4.423 526 HE1 PHE 53 2HE PHE 53 -1.961 -4.943 -0.833 527 HE2 PHE 53 1HE PHE 53 -4.155 -2.692 -3.758 528 1HZ PHE 53 HZ PHE 53 -4.096 -4.406 -1.969 529 QB PHE 53 QB PHE 53 0.593 -1.272 -3.202 530 QG PHE 53 QD PHE 53 -0.977 -2.638 -2.960 531 QZ PHE 53 QE PHE 53 -3.058 -3.817 -2.295 532 QZ PHE 53 QR PHE 53 -2.433 -3.463 -2.496 533 H THR 54 H THR 54 1.310 -0.437 -5.616 534 HA THR 54 HA THR 54 4.227 -0.078 -5.437 535 HB THR 54 HB THR 54 3.064 -0.088 -8.204 536 HG1 THR 54 1HG THR 54 2.545 -2.109 -7.912 537 1HG2 THR 54 1HG2 THR 54 5.726 -0.398 -6.880 538 2HG2 THR 54 3HG2 THR 54 5.486 -1.135 -8.463 539 3HG2 THR 54 2HG2 THR 54 5.269 0.603 -8.258 540 QG2 THR 54 QG2 THR 54 5.494 -0.310 -7.867 541 H VAL 55 H VAL 55 3.690 1.871 -4.432 542 HA VAL 55 HA VAL 55 1.917 3.733 -5.888 543 HB VAL 55 HB VAL 55 1.378 3.435 -3.582 544 1HG1 VAL 55 1HG1 VAL 55 4.318 3.953 -3.055 545 2HG1 VAL 55 3HG1 VAL 55 3.086 4.035 -1.795 546 3HG1 VAL 55 2HG1 VAL 55 3.367 2.519 -2.648 547 1HG2 VAL 55 3HG2 VAL 55 1.265 5.765 -4.418 548 2HG2 VAL 55 2HG2 VAL 55 1.610 5.703 -2.689 549 3HG2 VAL 55 1HG2 VAL 55 2.906 6.040 -3.836 550 QG1 VAL 55 QG1 VAL 55 3.590 3.502 -2.499 551 QG2 VAL 55 QG2 VAL 55 1.927 5.836 -3.648 552 QQG VAL 55 QQG VAL 55 2.759 4.669 -3.073 553 H THR 56 H THR 56 3.020 4.722 -7.485 554 HA THR 56 HA THR 56 5.790 5.646 -7.161 555 HB THR 56 HB THR 56 3.656 5.515 -9.276 556 HG1 THR 56 1HG THR 56 5.015 4.132 -10.086 557 1HG2 THR 56 2HG2 THR 56 6.101 7.299 -9.432 558 2HG2 THR 56 1HG2 THR 56 5.209 6.746 -10.850 559 3HG2 THR 56 3HG2 THR 56 4.413 7.767 -9.652 560 QG2 THR 56 QG2 THR 56 5.241 7.271 -9.978 561 H GLU 57 H GLU 57 6.243 8.040 -7.588 562 HA GLU 57 HA GLU 57 4.083 9.772 -6.426 563 1HB GLU 57 2HB GLU 57 5.998 9.127 -4.900 564 2HB GLU 57 1HB GLU 57 7.080 9.985 -5.996 565 1HG GLU 57 2HG GLU 57 4.781 11.634 -5.306 566 2HG GLU 57 1HG GLU 57 5.625 11.094 -3.857 567 QB GLU 57 QB GLU 57 6.539 9.556 -5.448 568 QG GLU 57 QG GLU 57 5.203 11.364 -4.582 No H/Q in entry = 568 Start of MODEL 6 1 1H MET 1 3HT MET 1 -1.142 -13.062 8.541 2 2H MET 1 2HT MET 1 -1.463 -14.453 9.462 3 3H MET 1 1HT MET 1 -0.777 -14.595 7.915 4 HA MET 1 HA MET 1 -3.115 -15.166 7.804 5 1HB MET 1 2HB MET 1 -3.127 -12.752 9.512 6 2HB MET 1 1HB MET 1 -4.453 -12.832 8.353 7 1HG MET 1 2HG MET 1 -5.240 -14.892 9.224 8 2HG MET 1 1HG MET 1 -3.735 -15.192 10.095 9 1HE MET 1 3HE MET 1 -6.890 -14.966 10.391 10 2HE MET 1 2HE MET 1 -6.512 -15.359 12.066 11 3HE MET 1 1HE MET 1 -7.445 -13.911 11.698 12 QB MET 1 QB MET 1 -3.790 -12.792 8.932 13 QG MET 1 QG MET 1 -4.488 -15.042 9.659 14 QE MET 1 QE MET 1 -6.949 -14.745 11.385 15 H THR 2 H THR 2 -2.167 -11.736 7.328 16 HA THR 2 HA THR 2 -2.534 -12.119 4.382 17 HB THR 2 HB THR 2 -3.601 -9.858 6.109 18 HG1 THR 2 1HG THR 2 -4.881 -11.954 4.695 19 1HG2 THR 2 2HG2 THR 2 -3.316 -10.268 3.177 20 2HG2 THR 2 1HG2 THR 2 -4.840 -9.576 3.737 21 3HG2 THR 2 3HG2 THR 2 -3.317 -8.770 4.109 22 QG2 THR 2 QG2 THR 2 -3.824 -9.538 3.674 23 H THR 3 H THR 3 -1.751 -9.328 6.491 24 HA THR 3 HA THR 3 0.057 -7.809 6.401 25 HB THR 3 HB THR 3 1.498 -10.392 5.736 26 HG1 THR 3 1HG THR 3 0.981 -10.962 7.669 27 1HG2 THR 3 1HG2 THR 3 2.381 -7.672 6.254 28 2HG2 THR 3 3HG2 THR 3 2.995 -8.779 7.484 29 3HG2 THR 3 2HG2 THR 3 3.330 -9.083 5.781 30 QG2 THR 3 QG2 THR 3 2.902 -8.511 6.506 31 H PHE 4 H PHE 4 -0.699 -6.724 4.438 32 HA PHE 4 HA PHE 4 0.366 -7.623 1.833 33 1HB PHE 4 2HB PHE 4 -1.540 -5.603 2.921 34 2HB PHE 4 1HB PHE 4 -0.777 -5.216 1.378 35 HD1 PHE 4 1HD PHE 4 -0.835 -7.010 -0.469 36 HD2 PHE 4 2HD PHE 4 -3.346 -7.116 3.010 37 HE1 PHE 4 1HE PHE 4 -2.365 -8.578 -1.625 38 HE2 PHE 4 2HE PHE 4 -4.881 -8.684 1.854 39 1HZ PHE 4 HZ PHE 4 -4.391 -9.414 -0.464 40 QB PHE 4 QB PHE 4 -1.158 -5.410 2.149 41 QG PHE 4 QD PHE 4 -2.091 -7.063 1.271 42 QZ PHE 4 QE PHE 4 -3.623 -8.631 0.114 43 QZ PHE 4 QR PHE 4 -3.164 -8.161 0.461 44 H LYS 5 H LYS 5 2.068 -6.593 0.749 45 HA LYS 5 HA LYS 5 3.720 -4.732 2.392 46 1HB LYS 5 2HB LYS 5 4.319 -6.271 -0.166 47 2HB LYS 5 1HB LYS 5 5.500 -5.421 0.829 48 1HG LYS 5 2HG LYS 5 4.527 -6.967 2.744 49 2HG LYS 5 1HG LYS 5 4.047 -7.983 1.385 50 1HD LYS 5 2HD LYS 5 6.860 -6.916 1.631 51 2HD LYS 5 1HD LYS 5 6.373 -8.422 2.410 52 1HE LYS 5 2HE LYS 5 5.389 -8.928 -0.034 53 2HE LYS 5 1HE LYS 5 6.694 -7.818 -0.498 54 1HZ LYS 5 3HZ LYS 5 7.076 -10.063 1.402 55 2HZ LYS 5 2HZ LYS 5 7.372 -10.209 -0.265 56 3HZ LYS 5 1HZ LYS 5 8.273 -9.112 0.669 57 QB LYS 5 QB LYS 5 4.910 -5.846 0.331 58 QG LYS 5 QG LYS 5 4.287 -7.475 2.065 59 QD LYS 5 QD LYS 5 6.617 -7.669 2.021 60 QE LYS 5 QE LYS 5 6.041 -8.373 -0.266 61 QZ LYS 5 QZ LYS 5 7.574 -9.795 0.602 62 H LEU 6 H LEU 6 5.068 -3.217 0.665 63 HA LEU 6 HA LEU 6 3.438 -2.193 -1.544 64 1HB LEU 6 2HB LEU 6 2.230 -1.301 0.386 65 2HB LEU 6 1HB LEU 6 3.728 -0.681 1.072 66 HG LEU 6 HG LEU 6 3.719 0.466 -1.450 67 1HD1 LEU 6 1HD1 LEU 6 0.958 -0.198 -0.689 68 2HD1 LEU 6 3HD1 LEU 6 1.202 1.510 -1.055 69 3HD1 LEU 6 2HD1 LEU 6 1.614 0.287 -2.253 70 1HD2 LEU 6 1HD2 LEU 6 3.852 1.306 1.148 71 2HD2 LEU 6 3HD2 LEU 6 3.798 2.396 -0.236 72 3HD2 LEU 6 2HD2 LEU 6 2.319 2.019 0.646 73 QB LEU 6 QB LEU 6 2.979 -0.991 0.729 74 QD1 LEU 6 QD1 LEU 6 1.258 0.533 -1.333 75 QD2 LEU 6 QD2 LEU 6 3.323 1.907 0.519 76 QQD LEU 6 QQD LEU 6 2.291 1.220 -0.407 77 H ILE 7 H ILE 7 5.100 -1.886 -2.972 78 HA ILE 7 HA ILE 7 7.727 -0.867 -2.037 79 HB ILE 7 HB ILE 7 6.652 -1.741 -4.748 80 1HG1 ILE 7 2HG1 ILE 7 8.676 -3.277 -3.166 81 2HG1 ILE 7 1HG1 ILE 7 6.987 -3.374 -2.665 82 1HG2 ILE 7 3HG2 ILE 7 9.348 -0.809 -3.796 83 2HG2 ILE 7 2HG2 ILE 7 9.245 -1.993 -5.099 84 3HG2 ILE 7 1HG2 ILE 7 8.496 -0.408 -5.287 85 1HD1 ILE 7 1HD1 ILE 7 6.666 -3.720 -5.318 86 2HD1 ILE 7 3HD1 ILE 7 8.291 -4.384 -5.142 87 3HD1 ILE 7 2HD1 ILE 7 6.954 -5.067 -4.215 88 QG1 ILE 7 QG1 ILE 7 7.831 -3.325 -2.915 89 QG2 ILE 7 QG2 ILE 7 9.030 -1.070 -4.727 90 QD1 ILE 7 QD1 ILE 7 7.304 -4.390 -4.891 91 H ILE 8 H ILE 8 7.931 1.359 -1.926 92 HA ILE 8 HA ILE 8 6.038 3.025 -3.449 93 HB ILE 8 HB ILE 8 8.207 3.735 -1.436 94 1HG1 ILE 8 2HG1 ILE 8 6.204 4.285 0.007 95 2HG1 ILE 8 1HG1 ILE 8 5.184 3.544 -1.211 96 1HG2 ILE 8 1HG2 ILE 8 6.014 5.399 -2.718 97 2HG2 ILE 8 3HG2 ILE 8 7.048 5.947 -1.394 98 3HG2 ILE 8 2HG2 ILE 8 7.754 5.596 -2.972 99 1HD1 ILE 8 3HD1 ILE 8 7.478 2.003 -0.073 100 2HD1 ILE 8 2HD1 ILE 8 5.968 2.125 0.833 101 3HD1 ILE 8 1HD1 ILE 8 5.976 1.417 -0.784 102 QG1 ILE 8 QG1 ILE 8 5.694 3.914 -0.602 103 QG2 ILE 8 QG2 ILE 8 6.939 5.647 -2.361 104 QD1 ILE 8 QD1 ILE 8 6.474 1.848 -0.008 105 H ASN 9 H ASN 9 6.612 3.588 -5.525 106 HA ASN 9 HA ASN 9 9.468 3.574 -6.317 107 1HB ASN 9 2HB ASN 9 7.668 2.449 -7.638 108 2HB ASN 9 1HB ASN 9 6.922 4.024 -7.905 109 1HD2 ASN 9 2HD2 ASN 9 9.214 4.979 -10.425 110 2HD2 ASN 9 1HD2 ASN 9 7.896 5.443 -9.460 111 QB ASN 9 QB ASN 9 7.295 3.236 -7.771 112 QD2 ASN 9 QD2 ASN 9 8.555 5.211 -9.943 113 H GLY 10 H GLY 10 10.468 5.439 -7.276 114 1HA GLY 10 2HA GLY 10 10.267 7.790 -8.057 115 2HA GLY 10 1HA GLY 10 9.046 8.028 -6.807 116 QA GLY 10 QA GLY 10 9.656 7.909 -7.432 117 H LYS 11 H LYS 11 10.342 9.789 -5.947 118 HA LYS 11 HA LYS 11 12.843 8.908 -4.551 119 1HB LYS 11 2HB LYS 11 13.388 11.340 -4.606 120 2HB LYS 11 1HB LYS 11 13.117 10.687 -6.220 121 1HG LYS 11 2HG LYS 11 11.221 11.917 -6.542 122 2HG LYS 11 1HG LYS 11 10.697 11.736 -4.869 123 1HD LYS 11 2HD LYS 11 11.800 13.620 -4.176 124 2HD LYS 11 1HD LYS 11 13.136 13.375 -5.300 125 1HE LYS 11 2HE LYS 11 12.182 15.103 -6.459 126 2HE LYS 11 1HE LYS 11 11.027 13.876 -7.017 127 1HZ LYS 11 3HZ LYS 11 10.751 15.437 -4.502 128 2HZ LYS 11 2HZ LYS 11 9.929 15.790 -5.947 129 3HZ LYS 11 1HZ LYS 11 9.629 14.330 -5.132 130 QB LYS 11 QB LYS 11 13.252 11.014 -5.413 131 QG LYS 11 QG LYS 11 10.959 11.827 -5.706 132 QD LYS 11 QD LYS 11 12.468 13.497 -4.738 133 QE LYS 11 QE LYS 11 11.604 14.489 -6.738 134 QZ LYS 11 QZ LYS 11 10.103 15.185 -5.194 135 H THR 12 H THR 12 10.055 8.521 -3.577 136 HA THR 12 HA THR 12 9.807 10.471 -1.356 137 HB THR 12 HB THR 12 7.642 9.257 -1.044 138 HG1 THR 12 1HG THR 12 7.199 7.717 -2.790 139 1HG2 THR 12 3HG2 THR 12 8.134 11.101 -2.833 140 2HG2 THR 12 2HG2 THR 12 7.949 9.778 -3.983 141 3HG2 THR 12 1HG2 THR 12 6.617 10.205 -2.910 142 QG2 THR 12 QG2 THR 12 7.567 10.361 -3.242 143 H LEU 13 H LEU 13 8.541 8.336 0.373 144 HA LEU 13 HA LEU 13 10.699 7.701 2.053 145 1HB LEU 13 2HB LEU 13 9.094 6.187 3.122 146 2HB LEU 13 1HB LEU 13 8.273 7.656 2.602 147 HG LEU 13 HG LEU 13 7.835 6.261 0.410 148 1HD1 LEU 13 2HD1 LEU 13 9.051 4.316 2.139 149 2HD1 LEU 13 1HD1 LEU 13 7.363 3.866 1.901 150 3HD1 LEU 13 3HD1 LEU 13 8.421 4.084 0.510 151 1HD2 LEU 13 1HD2 LEU 13 6.192 7.173 2.123 152 2HD2 LEU 13 3HD2 LEU 13 5.667 5.717 1.280 153 3HD2 LEU 13 2HD2 LEU 13 6.288 5.607 2.926 154 QB LEU 13 QB LEU 13 8.684 6.921 2.862 155 QD1 LEU 13 QD1 LEU 13 8.278 4.089 1.517 156 QD2 LEU 13 QD2 LEU 13 6.049 6.166 2.110 157 QQD LEU 13 QQD LEU 13 7.164 5.127 1.813 158 H LYS 14 H LYS 14 9.405 5.801 -0.667 159 HA LYS 14 HA LYS 14 10.222 3.852 -1.725 160 1HB LYS 14 2HB LYS 14 12.638 5.355 -0.726 161 2HB LYS 14 1HB LYS 14 12.821 3.868 -1.657 162 1HG LYS 14 2HG LYS 14 11.193 4.976 -3.347 163 2HG LYS 14 1HG LYS 14 11.592 6.481 -2.516 164 1HD LYS 14 2HD LYS 14 13.295 6.531 -4.046 165 2HD LYS 14 1HD LYS 14 14.082 5.488 -2.862 166 1HE LYS 14 2HE LYS 14 12.640 3.643 -4.282 167 2HE LYS 14 1HE LYS 14 13.050 4.817 -5.549 168 1HZ LYS 14 2HZ LYS 14 14.974 3.684 -3.586 169 2HZ LYS 14 1HZ LYS 14 14.832 3.183 -5.203 170 3HZ LYS 14 3HZ LYS 14 15.343 4.761 -4.847 171 QB LYS 14 QB LYS 14 12.730 4.611 -1.192 172 QG LYS 14 QG LYS 14 11.392 5.729 -2.931 173 QD LYS 14 QD LYS 14 13.688 6.010 -3.454 174 QE LYS 14 QE LYS 14 12.845 4.230 -4.916 175 QZ LYS 14 QZ LYS 14 15.050 3.876 -4.545 176 H GLY 15 H GLY 15 9.433 2.095 -0.476 177 1HA GLY 15 2HA GLY 15 11.323 0.463 0.882 178 2HA GLY 15 1HA GLY 15 10.406 1.345 2.101 179 QA GLY 15 QA GLY 15 10.864 0.904 1.491 180 H GLU 16 H GLU 16 9.776 -0.958 2.640 181 HA GLU 16 HA GLU 16 7.496 -1.912 0.931 182 1HB GLU 16 2HB GLU 16 9.665 -3.204 2.538 183 2HB GLU 16 1HB GLU 16 8.117 -4.043 2.420 184 1HG GLU 16 2HG GLU 16 9.363 -4.855 0.576 185 2HG GLU 16 1HG GLU 16 8.300 -3.632 -0.122 186 QB GLU 16 QB GLU 16 8.891 -3.623 2.479 187 QG GLU 16 QG GLU 16 8.831 -4.244 0.227 188 H ILE 17 H ILE 17 8.545 -2.248 4.345 189 HA ILE 17 HA ILE 17 7.303 -2.137 6.351 190 HB ILE 17 HB ILE 17 5.912 -0.024 4.664 191 1HG1 ILE 17 2HG1 ILE 17 8.216 0.212 6.629 192 2HG1 ILE 17 1HG1 ILE 17 8.402 0.192 4.875 193 1HG2 ILE 17 1HG2 ILE 17 5.915 -0.634 7.622 194 2HG2 ILE 17 3HG2 ILE 17 5.595 0.994 7.025 195 3HG2 ILE 17 2HG2 ILE 17 4.536 -0.337 6.564 196 1HD1 ILE 17 2HD1 ILE 17 6.396 2.132 5.783 197 2HD1 ILE 17 1HD1 ILE 17 8.007 2.458 6.421 198 3HD1 ILE 17 3HD1 ILE 17 7.754 2.352 4.680 199 QG1 ILE 17 QG1 ILE 17 8.309 0.202 5.752 200 QG2 ILE 17 QG2 ILE 17 5.349 0.007 7.070 201 QD1 ILE 17 QD1 ILE 17 7.386 2.314 5.628 202 H THR 18 H THR 18 6.461 -4.350 5.671 203 HA THR 18 HA THR 18 3.969 -4.789 4.371 204 HB THR 18 HB THR 18 4.089 -6.971 5.494 205 HG1 THR 18 1HG THR 18 5.608 -7.260 7.151 206 1HG2 THR 18 1HG2 THR 18 5.952 -6.008 3.786 207 2HG2 THR 18 3HG2 THR 18 6.984 -6.403 5.161 208 3HG2 THR 18 2HG2 THR 18 5.990 -7.655 4.417 209 QG2 THR 18 QG2 THR 18 6.309 -6.689 4.454 210 H ILE 19 H ILE 19 1.836 -5.061 5.227 211 HA ILE 19 HA ILE 19 1.398 -4.272 8.076 212 HB ILE 19 HB ILE 19 -0.286 -2.607 7.360 213 1HG1 ILE 19 2HG1 ILE 19 0.110 -2.017 4.759 214 2HG1 ILE 19 1HG1 ILE 19 0.380 -3.757 4.694 215 1HG2 ILE 19 3HG2 ILE 19 2.213 -2.085 7.630 216 2HG2 ILE 19 2HG2 ILE 19 2.285 -2.071 5.868 217 3HG2 ILE 19 1HG2 ILE 19 1.255 -0.919 6.718 218 1HD1 ILE 19 3HD1 ILE 19 -1.852 -3.692 6.229 219 2HD1 ILE 19 2HD1 ILE 19 -2.113 -2.246 5.254 220 3HD1 ILE 19 1HD1 ILE 19 -1.899 -3.813 4.470 221 QG1 ILE 19 QG1 ILE 19 0.245 -2.887 4.726 222 QG2 ILE 19 QG2 ILE 19 1.918 -1.692 6.739 223 QD1 ILE 19 QD1 ILE 19 -1.955 -3.250 5.318 224 H GLU 20 H GLU 20 -0.218 -5.449 9.012 225 HA GLU 20 HA GLU 20 -1.523 -7.594 7.548 226 1HB GLU 20 2HB GLU 20 -2.556 -8.007 9.767 227 2HB GLU 20 1HB GLU 20 -0.818 -7.744 9.903 228 1HG GLU 20 2HG GLU 20 -1.847 -5.174 10.116 229 2HG GLU 20 1HG GLU 20 -3.039 -6.148 10.976 230 QB GLU 20 QB GLU 20 -1.687 -7.875 9.835 231 QG GLU 20 QG GLU 20 -2.443 -5.661 10.546 232 H ALA 21 H ALA 21 -3.604 -7.653 6.732 233 HA ALA 21 HA ALA 21 -5.566 -5.557 7.436 234 1HB ALA 21 3HB ALA 21 -3.997 -5.725 4.898 235 2HB ALA 21 2HB ALA 21 -5.695 -5.266 4.771 236 3HB ALA 21 1HB ALA 21 -4.592 -4.302 5.753 237 QB ALA 21 QB ALA 21 -4.761 -5.097 5.141 238 H VAL 22 H VAL 22 -7.709 -6.124 6.691 239 HA VAL 22 HA VAL 22 -8.424 -8.840 6.725 240 HB VAL 22 HB VAL 22 -9.927 -6.933 7.145 241 1HG1 VAL 22 1HG1 VAL 22 -8.873 -5.629 5.147 242 2HG1 VAL 22 3HG1 VAL 22 -10.082 -6.465 4.171 243 3HG1 VAL 22 2HG1 VAL 22 -10.590 -5.404 5.486 244 1HG2 VAL 22 2HG2 VAL 22 -10.639 -9.274 6.034 245 2HG2 VAL 22 1HG2 VAL 22 -11.817 -8.009 6.387 246 3HG2 VAL 22 3HG2 VAL 22 -11.183 -8.193 4.751 247 QG1 VAL 22 QG1 VAL 22 -9.848 -5.833 4.935 248 QG2 VAL 22 QG2 VAL 22 -11.213 -8.492 5.724 249 QQG VAL 22 QQG VAL 22 -10.530 -7.162 5.329 250 H ASP 23 H ASP 23 -7.742 -6.735 3.950 251 HA ASP 23 HA ASP 23 -7.153 -9.061 2.248 252 1HB ASP 23 2HB ASP 23 -9.697 -7.548 2.214 253 2HB ASP 23 1HB ASP 23 -8.950 -7.757 0.630 254 QB ASP 23 QB ASP 23 -9.323 -7.652 1.422 255 H ALA 24 H ALA 24 -6.747 -8.051 -0.130 256 HA ALA 24 HA ALA 24 -4.638 -6.120 0.148 257 1HB ALA 24 3HB ALA 24 -5.325 -7.932 -1.699 258 2HB ALA 24 2HB ALA 24 -6.064 -6.517 -2.452 259 3HB ALA 24 1HB ALA 24 -4.334 -6.530 -2.106 260 QB ALA 24 QB ALA 24 -5.241 -6.993 -2.086 261 H ALA 25 H ALA 25 -8.065 -5.847 -0.712 262 HA ALA 25 HA ALA 25 -8.166 -3.212 -1.703 263 1HB ALA 25 1HB ALA 25 -9.959 -5.081 -1.421 264 2HB ALA 25 3HB ALA 25 -10.224 -4.371 0.171 265 3HB ALA 25 2HB ALA 25 -10.484 -3.403 -1.281 266 QB ALA 25 QB ALA 25 -10.222 -4.285 -0.844 267 H GLU 26 H GLU 26 -8.271 -4.379 1.658 268 HA GLU 26 HA GLU 26 -8.527 -1.752 2.867 269 1HB GLU 26 2HB GLU 26 -8.996 -4.193 3.740 270 2HB GLU 26 1HB GLU 26 -7.290 -4.163 4.186 271 1HG GLU 26 2HG GLU 26 -8.187 -3.285 6.121 272 2HG GLU 26 1HG GLU 26 -7.989 -1.792 5.203 273 QB GLU 26 QB GLU 26 -8.143 -4.178 3.963 274 QG GLU 26 QG GLU 26 -8.088 -2.538 5.662 275 H ALA 27 H ALA 27 -5.795 -3.982 2.287 276 HA ALA 27 HA ALA 27 -3.699 -2.487 3.472 277 1HB ALA 27 3HB ALA 27 -3.868 -4.309 1.059 278 2HB ALA 27 2HB ALA 27 -2.330 -3.657 1.629 279 3HB ALA 27 1HB ALA 27 -3.290 -4.702 2.679 280 QB ALA 27 QB ALA 27 -3.162 -4.223 1.789 281 H GLU 28 H GLU 28 -5.045 -2.280 0.167 282 HA GLU 28 HA GLU 28 -3.298 -0.267 -0.852 283 1HB GLU 28 2HB GLU 28 -5.130 -1.771 -1.963 284 2HB GLU 28 1HB GLU 28 -6.231 -0.462 -1.533 285 1HG GLU 28 2HG GLU 28 -4.450 1.083 -2.657 286 2HG GLU 28 1HG GLU 28 -3.880 -0.401 -3.423 287 QB GLU 28 QB GLU 28 -5.681 -1.116 -1.748 288 QG GLU 28 QG GLU 28 -4.165 0.341 -3.040 289 H LYS 29 H LYS 29 -6.331 -0.039 1.016 290 HA LYS 29 HA LYS 29 -6.537 2.848 0.916 291 1HB LYS 29 2HB LYS 29 -7.618 0.637 2.666 292 2HB LYS 29 1HB LYS 29 -7.983 2.329 3.004 293 1HG LYS 29 2HG LYS 29 -8.501 2.221 0.323 294 2HG LYS 29 1HG LYS 29 -8.960 0.592 0.818 295 1HD LYS 29 2HD LYS 29 -10.916 1.985 1.034 296 2HD LYS 29 1HD LYS 29 -10.336 1.639 2.663 297 1HE LYS 29 2HE LYS 29 -9.753 3.822 3.054 298 2HE LYS 29 1HE LYS 29 -9.190 4.068 1.389 299 1HZ LYS 29 2HZ LYS 29 -11.542 3.934 0.679 300 2HZ LYS 29 1HZ LYS 29 -12.009 3.910 2.312 301 3HZ LYS 29 3HZ LYS 29 -11.226 5.272 1.676 302 QB LYS 29 QB LYS 29 -7.801 1.483 2.835 303 QG LYS 29 QG LYS 29 -8.730 1.406 0.570 304 QD LYS 29 QD LYS 29 -10.626 1.812 1.849 305 QE LYS 29 QE LYS 29 -9.471 3.945 2.221 306 QZ LYS 29 QZ LYS 29 -11.592 4.372 1.556 307 H ILE 30 H ILE 30 -5.315 0.588 3.408 308 HA ILE 30 HA ILE 30 -4.375 2.526 5.281 309 HB ILE 30 HB ILE 30 -3.334 -0.245 4.571 310 1HG1 ILE 30 2HG1 ILE 30 -5.126 0.360 6.896 311 2HG1 ILE 30 1HG1 ILE 30 -5.843 0.237 5.290 312 1HG2 ILE 30 1HG2 ILE 30 -2.756 1.670 6.797 313 2HG2 ILE 30 3HG2 ILE 30 -2.843 -0.049 7.185 314 3HG2 ILE 30 2HG2 ILE 30 -1.679 0.528 5.992 315 1HD1 ILE 30 3HD1 ILE 30 -3.913 -1.901 6.017 316 2HD1 ILE 30 2HD1 ILE 30 -5.446 -1.911 6.890 317 3HD1 ILE 30 1HD1 ILE 30 -5.434 -2.010 5.130 318 QG1 ILE 30 QG1 ILE 30 -5.485 0.299 6.093 319 QG2 ILE 30 QG2 ILE 30 -2.426 0.717 6.658 320 QD1 ILE 30 QD1 ILE 30 -4.931 -1.941 6.012 321 H PHE 31 H PHE 31 -2.884 1.077 2.419 322 HA PHE 31 HA PHE 31 -0.286 2.354 2.780 323 1HB PHE 31 2HB PHE 31 -1.747 0.737 0.716 324 2HB PHE 31 1HB PHE 31 -0.297 1.604 0.220 325 HD1 PHE 31 2HD PHE 31 1.534 1.457 2.392 326 HD2 PHE 31 1HD PHE 31 -1.281 -1.508 1.082 327 HE1 PHE 31 2HE PHE 31 2.946 -0.321 3.392 328 HE2 PHE 31 1HE PHE 31 0.128 -3.289 2.081 329 1HZ PHE 31 HZ PHE 31 2.243 -2.695 3.235 330 QB PHE 31 QB PHE 31 -1.022 1.170 0.468 331 QG PHE 31 QD PHE 31 0.127 -0.026 1.737 332 QZ PHE 31 QE PHE 31 1.537 -1.805 2.736 333 QZ PHE 31 QR PHE 31 1.114 -1.271 2.436 334 H LYS 32 H LYS 32 -3.227 3.000 0.913 335 HA LYS 32 HA LYS 32 -2.211 5.262 -0.539 336 1HB LYS 32 2HB LYS 32 -4.903 4.082 0.074 337 2HB LYS 32 1HB LYS 32 -4.781 5.613 -0.790 338 1HG LYS 32 2HG LYS 32 -2.980 3.516 -1.819 339 2HG LYS 32 1HG LYS 32 -4.692 3.130 -1.978 340 1HD LYS 32 2HD LYS 32 -4.938 5.539 -2.910 341 2HD LYS 32 1HD LYS 32 -3.190 5.477 -3.126 342 1HE LYS 32 2HE LYS 32 -3.985 4.670 -5.197 343 2HE LYS 32 1HE LYS 32 -3.702 3.167 -4.297 344 1HZ LYS 32 2HZ LYS 32 -6.275 4.652 -4.394 345 2HZ LYS 32 1HZ LYS 32 -5.940 3.222 -5.247 346 3HZ LYS 32 3HZ LYS 32 -5.992 3.205 -3.552 347 QB LYS 32 QB LYS 32 -4.842 4.848 -0.358 348 QG LYS 32 QG LYS 32 -3.836 3.323 -1.898 349 QD LYS 32 QD LYS 32 -4.064 5.508 -3.018 350 QE LYS 32 QE LYS 32 -3.843 3.918 -4.747 351 QZ LYS 32 QZ LYS 32 -6.069 3.693 -4.397 352 H GLN 33 H GLN 33 -2.915 4.953 2.764 353 HA GLN 33 HA GLN 33 -3.653 7.866 3.008 354 1HB GLN 33 2HB GLN 33 -5.022 5.900 4.046 355 2HB GLN 33 1HB GLN 33 -3.679 5.757 5.180 356 1HG GLN 33 2HG GLN 33 -5.130 8.365 4.678 357 2HG GLN 33 1HG GLN 33 -5.600 7.238 5.951 358 1HE2 GLN 33 2HE2 GLN 33 -2.755 7.946 7.995 359 2HE2 GLN 33 1HE2 GLN 33 -3.975 6.809 7.682 360 QB GLN 33 QB GLN 33 -4.350 5.829 4.613 361 QG GLN 33 QG GLN 33 -5.365 7.802 5.315 362 QE2 GLN 33 QE2 GLN 33 -3.365 7.378 7.839 363 H TYR 34 H TYR 34 -1.688 5.241 4.177 364 HA TYR 34 HA TYR 34 0.239 6.459 5.817 365 1HB TYR 34 2HB TYR 34 0.188 4.122 5.668 366 2HB TYR 34 1HB TYR 34 -0.070 4.147 3.918 367 HD1 TYR 34 2HD TYR 34 1.879 4.540 2.396 368 HD2 TYR 34 1HD TYR 34 2.397 4.062 6.633 369 HE1 TYR 34 2HE TYR 34 4.297 4.122 2.052 370 HE2 TYR 34 1HE TYR 34 4.817 3.644 6.290 371 HH TYR 34 HH TYR 34 6.150 2.935 3.292 372 QB TYR 34 QB TYR 34 0.059 4.135 4.793 373 QG TYR 34 QD TYR 34 2.138 4.301 4.515 374 QZ TYR 34 QE TYR 34 4.557 3.883 4.171 375 QR TYR 34 QR TYR 34 3.348 4.092 4.343 376 H ALA 35 H ALA 35 0.030 6.246 2.273 377 HA ALA 35 HA ALA 35 2.600 7.399 1.620 378 1HB ALA 35 1HB ALA 35 -0.026 6.845 0.274 379 2HB ALA 35 3HB ALA 35 1.115 7.922 -0.537 380 3HB ALA 35 2HB ALA 35 1.590 6.270 -0.140 381 QB ALA 35 QB ALA 35 0.893 7.012 -0.135 382 H ASN 36 H ASN 36 -0.689 8.813 1.785 383 HA ASN 36 HA ASN 36 -0.066 11.477 1.064 384 1HB ASN 36 2HB ASN 36 -2.150 10.076 2.676 385 2HB ASN 36 1HB ASN 36 -2.097 11.836 2.746 386 1HD2 ASN 36 2HD2 ASN 36 -2.580 10.329 -1.050 387 2HD2 ASN 36 1HD2 ASN 36 -1.393 9.660 -0.038 388 QB ASN 36 QB ASN 36 -2.124 10.956 2.711 389 QD2 ASN 36 QD2 ASN 36 -1.987 9.994 -0.544 390 H ASP 37 H ASP 37 -0.260 10.099 4.368 391 HA ASP 37 HA ASP 37 0.497 12.414 5.807 392 1HB ASP 37 2HB ASP 37 -0.296 9.952 6.443 393 2HB ASP 37 1HB ASP 37 1.436 9.713 6.673 394 QB ASP 37 QB ASP 37 0.570 9.833 6.558 395 H ASN 38 H ASN 38 2.445 10.327 3.858 396 HA ASN 38 HA ASN 38 4.948 11.391 4.991 397 1HB ASN 38 2HB ASN 38 4.073 9.018 3.422 398 2HB ASN 38 1HB ASN 38 5.730 9.573 3.182 399 1HD2 ASN 38 2HD2 ASN 38 6.527 9.034 6.738 400 2HD2 ASN 38 1HD2 ASN 38 6.694 10.270 5.586 401 QB ASN 38 QB ASN 38 4.901 9.296 3.302 402 QD2 ASN 38 QD2 ASN 38 6.610 9.652 6.162 403 H GLY 39 H GLY 39 2.925 11.521 2.140 404 1HA GLY 39 2HA GLY 39 3.104 13.465 0.641 405 2HA GLY 39 1HA GLY 39 4.847 13.454 0.917 406 QA GLY 39 QA GLY 39 3.976 13.459 0.779 407 H ILE 40 H ILE 40 3.057 10.490 0.393 408 HA ILE 40 HA ILE 40 4.621 10.011 -2.089 409 HB ILE 40 HB ILE 40 3.249 8.450 0.062 410 1HG1 ILE 40 2HG1 ILE 40 5.396 7.150 -0.126 411 2HG1 ILE 40 1HG1 ILE 40 5.906 8.316 -1.351 412 1HG2 ILE 40 3HG2 ILE 40 2.331 7.496 -2.075 413 2HG2 ILE 40 2HG2 ILE 40 3.990 7.151 -2.565 414 3HG2 ILE 40 1HG2 ILE 40 3.306 6.369 -1.138 415 1HD1 ILE 40 3HD1 ILE 40 4.939 9.139 1.387 416 2HD1 ILE 40 2HD1 ILE 40 6.647 8.841 1.028 417 3HD1 ILE 40 1HD1 ILE 40 5.775 10.132 0.187 418 QG1 ILE 40 QG1 ILE 40 5.651 7.733 -0.739 419 QG2 ILE 40 QG2 ILE 40 3.209 7.005 -1.926 420 QD1 ILE 40 QD1 ILE 40 5.787 9.371 0.867 421 H ASP 41 H ASP 41 3.544 10.914 -3.797 422 HA ASP 41 HA ASP 41 0.714 10.059 -4.266 423 1HB ASP 41 2HB ASP 41 1.174 12.415 -3.157 424 2HB ASP 41 1HB ASP 41 1.544 12.887 -4.816 425 QB ASP 41 QB ASP 41 1.359 12.651 -3.987 426 H GLY 42 H GLY 42 0.970 8.906 -6.143 427 1HA GLY 42 2HA GLY 42 1.691 10.296 -8.587 428 2HA GLY 42 1HA GLY 42 2.894 9.087 -8.142 429 QA GLY 42 QA GLY 42 2.292 9.691 -8.364 430 H GLU 43 H GLU 43 2.496 6.995 -8.781 431 HA GLU 43 HA GLU 43 -0.223 6.391 -9.893 432 1HB GLU 43 2HB GLU 43 2.280 6.134 -10.942 433 2HB GLU 43 1HB GLU 43 2.052 4.523 -10.261 434 1HG GLU 43 2HG GLU 43 -0.341 4.789 -11.429 435 2HG GLU 43 1HG GLU 43 0.580 5.868 -12.479 436 QB GLU 43 QB GLU 43 2.166 5.329 -10.601 437 QG GLU 43 QG GLU 43 0.119 5.328 -11.954 438 H TRP 44 H TRP 44 -0.697 3.871 -9.663 439 HA TRP 44 HA TRP 44 0.144 2.674 -7.067 440 1HB TRP 44 2HB TRP 44 -2.529 3.931 -7.671 441 2HB TRP 44 1HB TRP 44 -2.475 2.489 -6.652 442 HD1 TRP 44 HD TRP 44 -1.514 6.170 -6.685 443 HE1 TRP 44 1HE TRP 44 -0.786 6.842 -4.303 444 HE3 TRP 44 3HE TRP 44 -1.461 1.583 -4.488 445 HZ2 TRP 44 2HZ TRP 44 -0.249 5.580 -1.785 446 HZ3 TRP 44 3HZ TRP 44 -0.843 1.338 -2.091 447 HH2 TRP 44 HH TRP 44 -0.234 3.329 -0.748 448 QB TRP 44 QB TRP 44 -2.502 3.210 -7.162 449 H THR 45 H THR 45 0.218 0.491 -7.368 450 HA THR 45 HA THR 45 -1.691 -0.807 -9.253 451 HB THR 45 HB THR 45 0.045 -1.812 -10.547 452 HG1 THR 45 1HG THR 45 1.789 -2.348 -9.558 453 1HG2 THR 45 3HG2 THR 45 -0.293 0.569 -11.092 454 2HG2 THR 45 2HG2 THR 45 0.966 1.004 -9.933 455 3HG2 THR 45 1HG2 THR 45 1.377 0.078 -11.378 456 QG2 THR 45 QG2 THR 45 0.683 0.550 -10.801 457 H TYR 46 H TYR 46 -2.334 -2.771 -8.447 458 HA TYR 46 HA TYR 46 -1.019 -3.712 -5.945 459 1HB TYR 46 2HB TYR 46 -3.382 -3.330 -5.773 460 2HB TYR 46 1HB TYR 46 -3.700 -4.211 -7.271 461 HD1 TYR 46 1HD TYR 46 -1.720 -4.909 -4.155 462 HD2 TYR 46 2HD TYR 46 -4.742 -6.267 -6.887 463 HE1 TYR 46 1HE TYR 46 -1.907 -7.030 -2.891 464 HE2 TYR 46 2HE TYR 46 -4.930 -8.391 -5.618 465 HH TYR 46 HH TYR 46 -4.430 -9.087 -3.118 466 QB TYR 46 QB TYR 46 -3.541 -3.771 -6.522 467 QG TYR 46 QD TYR 46 -3.231 -5.588 -5.521 468 QZ TYR 46 QE TYR 46 -3.418 -7.711 -4.255 469 QR TYR 46 QR TYR 46 -3.325 -6.649 -4.888 470 H ASP 47 H ASP 47 -0.282 -5.859 -5.752 471 HA ASP 47 HA ASP 47 -0.048 -7.409 -8.309 472 1HB ASP 47 2HB ASP 47 1.976 -6.176 -7.051 473 2HB ASP 47 1HB ASP 47 1.951 -7.662 -6.099 474 QB ASP 47 QB ASP 47 1.963 -6.919 -6.575 475 H ASP 48 H ASP 48 -1.790 -8.812 -7.877 476 HA ASP 48 HA ASP 48 -2.311 -10.040 -5.324 477 1HB ASP 48 2HB ASP 48 -3.789 -9.660 -7.416 478 2HB ASP 48 1HB ASP 48 -3.081 -11.161 -8.010 479 QB ASP 48 QB ASP 48 -3.435 -10.410 -7.713 480 H ALA 49 H ALA 49 0.203 -10.630 -7.524 481 HA ALA 49 HA ALA 49 0.400 -13.531 -7.061 482 1HB ALA 49 3HB ALA 49 2.163 -11.484 -8.451 483 2HB ALA 49 2HB ALA 49 2.421 -13.228 -8.501 484 3HB ALA 49 1HB ALA 49 0.975 -12.529 -9.231 485 QB ALA 49 QB ALA 49 1.853 -12.414 -8.727 486 H THR 50 H THR 50 1.797 -10.514 -5.892 487 HA THR 50 HA THR 50 3.442 -12.090 -3.940 488 HB THR 50 HB THR 50 5.045 -10.183 -4.107 489 HG1 THR 50 1HG THR 50 3.491 -8.632 -4.765 490 1HG2 THR 50 1HG2 THR 50 5.011 -12.266 -5.656 491 2HG2 THR 50 3HG2 THR 50 4.444 -11.147 -6.895 492 3HG2 THR 50 2HG2 THR 50 6.013 -10.893 -6.129 493 QG2 THR 50 QG2 THR 50 5.156 -11.435 -6.226 494 H LYS 51 H LYS 51 0.684 -10.327 -4.152 495 HA LYS 51 HA LYS 51 -0.558 -9.012 -2.635 496 1HB LYS 51 2HB LYS 51 1.464 -10.282 -0.754 497 2HB LYS 51 1HB LYS 51 -0.059 -9.545 -0.260 498 1HG LYS 51 2HG LYS 51 -0.324 -11.565 -2.397 499 2HG LYS 51 1HG LYS 51 0.254 -12.205 -0.859 500 1HD LYS 51 2HD LYS 51 -1.736 -10.618 0.045 501 2HD LYS 51 1HD LYS 51 -2.385 -11.019 -1.544 502 1HE LYS 51 2HE LYS 51 -2.462 -13.328 -1.072 503 2HE LYS 51 1HE LYS 51 -1.287 -13.187 0.251 504 1HZ LYS 51 1HZ LYS 51 -2.925 -11.715 1.384 505 2HZ LYS 51 3HZ LYS 51 -4.061 -12.130 0.194 506 3HZ LYS 51 2HZ LYS 51 -3.440 -13.327 1.228 507 QB LYS 51 QB LYS 51 0.703 -9.913 -0.507 508 QG LYS 51 QG LYS 51 -0.035 -11.885 -1.628 509 QD LYS 51 QD LYS 51 -2.061 -10.819 -0.749 510 QE LYS 51 QE LYS 51 -1.875 -13.257 -0.410 511 QZ LYS 51 QZ LYS 51 -3.476 -12.391 0.935 512 H THR 52 H THR 52 1.629 -7.689 -3.998 513 HA THR 52 HA THR 52 2.383 -5.663 -1.905 514 HB THR 52 HB THR 52 4.033 -6.450 -4.316 515 HG1 THR 52 1HG THR 52 4.823 -8.062 -3.210 516 1HG2 THR 52 3HG2 THR 52 4.371 -4.737 -1.898 517 2HG2 THR 52 2HG2 THR 52 5.785 -5.616 -2.478 518 3HG2 THR 52 1HG2 THR 52 4.953 -4.485 -3.544 519 QG2 THR 52 QG2 THR 52 5.036 -4.946 -2.640 520 H PHE 53 H PHE 53 1.895 -3.558 -2.454 521 HA PHE 53 HA PHE 53 0.603 -3.059 -5.068 522 1HB PHE 53 2HB PHE 53 0.930 -1.538 -2.473 523 2HB PHE 53 1HB PHE 53 0.145 -0.828 -3.884 524 HD1 PHE 53 2HD PHE 53 0.006 -3.712 -1.516 525 HD2 PHE 53 1HD PHE 53 -2.120 -1.359 -4.423 526 HE1 PHE 53 2HE PHE 53 -2.112 -4.869 -0.910 527 HE2 PHE 53 1HE PHE 53 -4.220 -2.520 -3.821 528 1HZ PHE 53 HZ PHE 53 -4.218 -4.273 -2.070 529 QB PHE 53 QB PHE 53 0.538 -1.183 -3.179 530 QG PHE 53 QD PHE 53 -1.057 -2.535 -2.969 531 QZ PHE 53 QE PHE 53 -3.166 -3.694 -2.365 532 QZ PHE 53 QR PHE 53 -2.533 -3.347 -2.548 533 H THR 54 H THR 54 1.273 -0.383 -5.607 534 HA THR 54 HA THR 54 4.203 -0.066 -5.480 535 HB THR 54 HB THR 54 2.993 -0.086 -8.225 536 HG1 THR 54 1HG THR 54 2.326 -2.065 -7.622 537 1HG2 THR 54 2HG2 THR 54 5.672 -0.538 -6.950 538 2HG2 THR 54 1HG2 THR 54 5.359 -1.162 -8.570 539 3HG2 THR 54 3HG2 THR 54 5.230 0.568 -8.252 540 QG2 THR 54 QG2 THR 54 5.420 -0.377 -7.924 541 H VAL 55 H VAL 55 3.797 1.938 -4.541 542 HA VAL 55 HA VAL 55 1.997 3.782 -6.003 543 HB VAL 55 HB VAL 55 1.452 3.517 -3.693 544 1HG1 VAL 55 2HG1 VAL 55 4.376 4.086 -3.148 545 2HG1 VAL 55 1HG1 VAL 55 3.124 4.099 -1.905 546 3HG1 VAL 55 3HG1 VAL 55 3.468 2.610 -2.783 547 1HG2 VAL 55 3HG2 VAL 55 1.363 5.838 -4.581 548 2HG2 VAL 55 2HG2 VAL 55 1.662 5.792 -2.844 549 3HG2 VAL 55 1HG2 VAL 55 2.989 6.113 -3.959 550 QG1 VAL 55 QG1 VAL 55 3.656 3.598 -2.612 551 QG2 VAL 55 QG2 VAL 55 2.004 5.915 -3.795 552 QQG VAL 55 QQG VAL 55 2.830 4.756 -3.203 553 H THR 56 H THR 56 3.087 4.749 -7.599 554 HA THR 56 HA THR 56 5.873 5.650 -7.319 555 HB THR 56 HB THR 56 3.706 5.502 -9.401 556 HG1 THR 56 1HG THR 56 5.123 3.806 -9.206 557 1HG2 THR 56 1HG2 THR 56 6.205 7.192 -9.720 558 2HG2 THR 56 3HG2 THR 56 5.115 6.735 -11.029 559 3HG2 THR 56 2HG2 THR 56 4.538 7.778 -9.728 560 QG2 THR 56 QG2 THR 56 5.286 7.235 -10.159 561 H GLU 57 H GLU 57 6.254 8.077 -7.946 562 HA GLU 57 HA GLU 57 4.125 9.822 -6.759 563 1HB GLU 57 2HB GLU 57 5.919 9.295 -5.130 564 2HB GLU 57 1HB GLU 57 7.123 9.902 -6.266 565 1HG GLU 57 2HG GLU 57 4.872 11.744 -5.661 566 2HG GLU 57 1HG GLU 57 5.999 11.443 -4.338 567 QB GLU 57 QB GLU 57 6.521 9.598 -5.698 568 QG GLU 57 QG GLU 57 5.436 11.593 -4.999 No H/Q in entry = 568 Start of MODEL 7 1 1H MET 1 3HT MET 1 -1.681 -12.522 8.689 2 2H MET 1 2HT MET 1 -1.036 -13.930 9.388 3 3H MET 1 1HT MET 1 -0.070 -12.956 8.386 4 HA MET 1 HA MET 1 -0.745 -14.876 7.127 5 1HB MET 1 2HB MET 1 -3.330 -14.074 8.422 6 2HB MET 1 1HB MET 1 -3.388 -14.946 6.891 7 1HG MET 1 2HG MET 1 -1.971 -16.728 7.859 8 2HG MET 1 1HG MET 1 -1.948 -15.865 9.396 9 1HE MET 1 2HE MET 1 -3.163 -18.447 7.455 10 2HE MET 1 1HE MET 1 -4.823 -18.852 7.890 11 3HE MET 1 3HE MET 1 -4.500 -17.569 6.715 12 QB MET 1 QB MET 1 -3.359 -14.510 7.656 13 QG MET 1 QG MET 1 -1.959 -16.296 8.628 14 QE MET 1 QE MET 1 -4.162 -18.289 7.353 15 H THR 2 H THR 2 -3.028 -12.106 7.119 16 HA THR 2 HA THR 2 -2.606 -11.767 4.202 17 HB THR 2 HB THR 2 -4.442 -10.390 6.190 18 HG1 THR 2 1HG THR 2 -5.075 -12.463 6.100 19 1HG2 THR 2 1HG2 THR 2 -4.057 -10.233 3.231 20 2HG2 THR 2 3HG2 THR 2 -5.702 -10.134 3.858 21 3HG2 THR 2 2HG2 THR 2 -4.490 -8.961 4.374 22 QG2 THR 2 QG2 THR 2 -4.749 -9.776 3.821 23 H THR 3 H THR 3 -0.251 -11.122 5.398 24 HA THR 3 HA THR 3 -0.153 -8.275 6.137 25 HB THR 3 HB THR 3 2.011 -10.335 5.586 26 HG1 THR 3 1HG THR 3 1.655 -11.007 7.540 27 1HG2 THR 3 1HG2 THR 3 2.046 -7.498 6.364 28 2HG2 THR 3 3HG2 THR 3 2.971 -8.542 7.443 29 3HG2 THR 3 2HG2 THR 3 3.342 -8.505 5.719 30 QG2 THR 3 QG2 THR 3 2.786 -8.182 6.509 31 H PHE 4 H PHE 4 -0.582 -6.941 4.377 32 HA PHE 4 HA PHE 4 0.527 -7.563 1.707 33 1HB PHE 4 2HB PHE 4 -1.365 -5.582 2.944 34 2HB PHE 4 1HB PHE 4 -0.688 -5.242 1.351 35 HD1 PHE 4 2HD PHE 4 -0.826 -7.151 -0.411 36 HD2 PHE 4 1HD PHE 4 -3.239 -6.989 3.137 37 HE1 PHE 4 2HE PHE 4 -2.445 -8.715 -1.445 38 HE2 PHE 4 1HE PHE 4 -4.862 -8.551 2.097 39 1HZ PHE 4 HZ PHE 4 -4.465 -9.417 -0.189 40 QB PHE 4 QB PHE 4 -1.027 -5.412 2.148 41 QG PHE 4 QD PHE 4 -2.033 -7.070 1.363 42 QZ PHE 4 QE PHE 4 -3.654 -8.633 0.326 43 QZ PHE 4 QR PHE 4 -3.167 -8.165 0.638 44 H LYS 5 H LYS 5 2.036 -6.169 0.632 45 HA LYS 5 HA LYS 5 3.656 -4.447 2.482 46 1HB LYS 5 2HB LYS 5 4.403 -5.920 -0.075 47 2HB LYS 5 1HB LYS 5 5.520 -5.029 0.959 48 1HG LYS 5 2HG LYS 5 4.764 -6.575 2.855 49 2HG LYS 5 1HG LYS 5 4.008 -7.565 1.609 50 1HD LYS 5 2HD LYS 5 6.421 -7.300 0.481 51 2HD LYS 5 1HD LYS 5 6.901 -7.107 2.167 52 1HE LYS 5 2HE LYS 5 5.592 -9.237 2.669 53 2HE LYS 5 1HE LYS 5 5.478 -9.472 0.913 54 1HZ LYS 5 3HZ LYS 5 7.899 -9.216 0.786 55 2HZ LYS 5 2HZ LYS 5 7.978 -9.106 2.480 56 3HZ LYS 5 1HZ LYS 5 7.460 -10.546 1.743 57 QB LYS 5 QB LYS 5 4.962 -5.475 0.442 58 QG LYS 5 QG LYS 5 4.386 -7.070 2.232 59 QD LYS 5 QD LYS 5 6.661 -7.203 1.324 60 QE LYS 5 QE LYS 5 5.535 -9.355 1.791 61 QZ LYS 5 QZ LYS 5 7.779 -9.623 1.670 62 H LEU 6 H LEU 6 5.088 -2.948 0.713 63 HA LEU 6 HA LEU 6 3.416 -1.848 -1.428 64 1HB LEU 6 2HB LEU 6 2.328 -0.959 0.581 65 2HB LEU 6 1HB LEU 6 3.872 -0.349 1.174 66 HG LEU 6 HG LEU 6 3.996 1.018 -0.991 67 1HD1 LEU 6 2HD1 LEU 6 1.099 0.136 -1.064 68 2HD1 LEU 6 1HD1 LEU 6 1.738 1.489 -1.999 69 3HD1 LEU 6 3HD1 LEU 6 2.327 -0.146 -2.298 70 1HD2 LEU 6 3HD2 LEU 6 3.177 1.738 1.405 71 2HD2 LEU 6 2HD2 LEU 6 2.914 2.817 0.036 72 3HD2 LEU 6 1HD2 LEU 6 1.594 1.812 0.631 73 QB LEU 6 QB LEU 6 3.100 -0.654 0.878 74 QD1 LEU 6 QD1 LEU 6 1.722 0.493 -1.787 75 QD2 LEU 6 QD2 LEU 6 2.562 2.122 0.691 76 QQD LEU 6 QQD LEU 6 2.142 1.308 -0.548 77 H ILE 7 H ILE 7 5.226 -1.950 -2.793 78 HA ILE 7 HA ILE 7 7.837 -0.891 -1.974 79 HB ILE 7 HB ILE 7 6.702 -1.788 -4.653 80 1HG1 ILE 7 2HG1 ILE 7 8.506 -3.318 -2.758 81 2HG1 ILE 7 1HG1 ILE 7 6.750 -3.486 -2.746 82 1HG2 ILE 7 1HG2 ILE 7 9.367 -0.819 -3.754 83 2HG2 ILE 7 3HG2 ILE 7 9.367 -2.235 -4.806 84 3HG2 ILE 7 2HG2 ILE 7 8.617 -0.734 -5.348 85 1HD1 ILE 7 3HD1 ILE 7 8.108 -3.722 -5.387 86 2HD1 ILE 7 2HD1 ILE 7 8.322 -5.057 -4.255 87 3HD1 ILE 7 1HD1 ILE 7 6.701 -4.584 -4.765 88 QG1 ILE 7 QG1 ILE 7 7.628 -3.402 -2.752 89 QG2 ILE 7 QG2 ILE 7 9.117 -1.263 -4.636 90 QD1 ILE 7 QD1 ILE 7 7.710 -4.454 -4.802 91 H ILE 8 H ILE 8 8.072 1.312 -1.876 92 HA ILE 8 HA ILE 8 6.240 3.050 -3.359 93 HB ILE 8 HB ILE 8 8.706 3.852 -1.805 94 1HG1 ILE 8 2HG1 ILE 8 7.257 2.293 -0.448 95 2HG1 ILE 8 1HG1 ILE 8 7.363 3.907 0.215 96 1HG2 ILE 8 3HG2 ILE 8 6.090 5.200 -2.526 97 2HG2 ILE 8 2HG2 ILE 8 7.221 5.859 -1.337 98 3HG2 ILE 8 1HG2 ILE 8 7.721 5.673 -3.018 99 1HD1 ILE 8 2HD1 ILE 8 5.193 4.467 -0.845 100 2HD1 ILE 8 1HD1 ILE 8 5.079 2.796 -1.413 101 3HD1 ILE 8 3HD1 ILE 8 5.060 3.147 0.315 102 QG1 ILE 8 QG1 ILE 8 7.310 3.100 -0.116 103 QG2 ILE 8 QG2 ILE 8 7.011 5.577 -2.294 104 QD1 ILE 8 QD1 ILE 8 5.111 3.470 -0.648 105 H ASN 9 H ASN 9 6.672 3.051 -5.564 106 HA ASN 9 HA ASN 9 9.332 2.880 -6.703 107 1HB ASN 9 2HB ASN 9 7.263 2.140 -7.822 108 2HB ASN 9 1HB ASN 9 6.665 3.794 -7.813 109 1HD2 ASN 9 2HD2 ASN 9 8.102 4.265 -10.999 110 2HD2 ASN 9 1HD2 ASN 9 6.718 4.391 -10.021 111 QB ASN 9 QB ASN 9 6.964 2.967 -7.817 112 QD2 ASN 9 QD2 ASN 9 7.410 4.328 -10.510 113 H GLY 10 H GLY 10 10.207 4.665 -8.148 114 1HA GLY 10 2HA GLY 10 10.639 6.958 -8.638 115 2HA GLY 10 1HA GLY 10 9.416 7.416 -7.450 116 QA GLY 10 QA GLY 10 10.028 7.187 -8.044 117 H LYS 11 H LYS 11 10.893 8.941 -6.491 118 HA LYS 11 HA LYS 11 13.134 7.683 -4.939 119 1HB LYS 11 2HB LYS 11 14.158 9.952 -5.080 120 2HB LYS 11 1HB LYS 11 13.853 9.270 -6.675 121 1HG LYS 11 2HG LYS 11 11.591 10.821 -5.584 122 2HG LYS 11 1HG LYS 11 13.047 11.775 -5.866 123 1HD LYS 11 2HD LYS 11 13.123 11.156 -8.173 124 2HD LYS 11 1HD LYS 11 11.911 9.895 -7.945 125 1HE LYS 11 2HE LYS 11 10.744 11.748 -8.938 126 2HE LYS 11 1HE LYS 11 10.317 11.790 -7.215 127 1HZ LYS 11 2HZ LYS 11 12.573 13.284 -8.448 128 2HZ LYS 11 1HZ LYS 11 11.075 13.967 -8.025 129 3HZ LYS 11 3HZ LYS 11 12.095 13.350 -6.819 130 QB LYS 11 QB LYS 11 14.005 9.611 -5.877 131 QG LYS 11 QG LYS 11 12.319 11.298 -5.725 132 QD LYS 11 QD LYS 11 12.517 10.525 -8.059 133 QE LYS 11 QE LYS 11 10.530 11.769 -8.077 134 QZ LYS 11 QZ LYS 11 11.914 13.534 -7.764 135 H THR 12 H THR 12 10.342 7.803 -4.085 136 HA THR 12 HA THR 12 10.097 10.004 -2.160 137 HB THR 12 HB THR 12 8.296 7.686 -1.912 138 HG1 THR 12 1HG THR 12 8.406 9.110 -4.361 139 1HG2 THR 12 1HG2 THR 12 8.114 10.659 -2.282 140 2HG2 THR 12 3HG2 THR 12 6.682 9.658 -2.525 141 3HG2 THR 12 2HG2 THR 12 7.501 9.660 -0.963 142 QG2 THR 12 QG2 THR 12 7.433 9.992 -1.923 143 H LEU 13 H LEU 13 8.863 8.314 -0.073 144 HA LEU 13 HA LEU 13 10.940 8.017 1.761 145 1HB LEU 13 2HB LEU 13 9.310 6.806 3.051 146 2HB LEU 13 1HB LEU 13 8.399 7.923 2.041 147 HG LEU 13 HG LEU 13 8.495 5.819 0.377 148 1HD1 LEU 13 2HD1 LEU 13 8.992 4.806 3.141 149 2HD1 LEU 13 1HD1 LEU 13 7.843 3.899 2.156 150 3HD1 LEU 13 3HD1 LEU 13 9.497 4.132 1.592 151 1HD2 LEU 13 1HD2 LEU 13 6.503 7.122 1.445 152 2HD2 LEU 13 3HD2 LEU 13 6.212 5.471 0.882 153 3HD2 LEU 13 2HD2 LEU 13 6.457 5.794 2.603 154 QB LEU 13 QB LEU 13 8.854 7.364 2.546 155 QD1 LEU 13 QD1 LEU 13 8.777 4.279 2.296 156 QD2 LEU 13 QD2 LEU 13 6.391 6.129 1.643 157 QQD LEU 13 QQD LEU 13 7.584 5.204 1.970 158 H LYS 14 H LYS 14 10.051 5.813 -0.822 159 HA LYS 14 HA LYS 14 11.009 3.802 -1.588 160 1HB LYS 14 2HB LYS 14 13.197 5.399 -0.305 161 2HB LYS 14 1HB LYS 14 13.563 3.773 -0.883 162 1HG LYS 14 2HG LYS 14 12.131 5.779 -2.625 163 2HG LYS 14 1HG LYS 14 13.892 5.716 -2.551 164 1HD LYS 14 2HD LYS 14 12.641 3.074 -2.910 165 2HD LYS 14 1HD LYS 14 12.318 4.191 -4.235 166 1HE LYS 14 2HE LYS 14 14.357 3.454 -4.995 167 2HE LYS 14 1HE LYS 14 14.994 4.630 -3.829 168 1HZ LYS 14 2HZ LYS 14 14.890 2.888 -2.121 169 2HZ LYS 14 1HZ LYS 14 14.406 1.765 -3.300 170 3HZ LYS 14 3HZ LYS 14 15.945 2.472 -3.386 171 QB LYS 14 QB LYS 14 13.380 4.586 -0.594 172 QG LYS 14 QG LYS 14 13.011 5.748 -2.588 173 QD LYS 14 QD LYS 14 12.479 3.632 -3.572 174 QE LYS 14 QE LYS 14 14.675 4.042 -4.412 175 QZ LYS 14 QZ LYS 14 15.080 2.375 -2.935 176 H GLY 15 H GLY 15 10.029 2.074 -0.531 177 1HA GLY 15 2HA GLY 15 11.441 0.435 1.228 178 2HA GLY 15 1HA GLY 15 10.480 1.481 2.271 179 QA GLY 15 QA GLY 15 10.960 0.958 1.749 180 H GLU 16 H GLU 16 10.217 -1.399 1.918 181 HA GLU 16 HA GLU 16 7.545 -1.649 0.614 182 1HB GLU 16 2HB GLU 16 8.186 -3.968 0.361 183 2HB GLU 16 1HB GLU 16 9.572 -2.979 -0.093 184 1HG GLU 16 2HG GLU 16 10.097 -3.291 2.541 185 2HG GLU 16 1HG GLU 16 9.239 -4.800 2.227 186 QB GLU 16 QB GLU 16 8.879 -3.473 0.134 187 QG GLU 16 QG GLU 16 9.668 -4.045 2.384 188 H ILE 17 H ILE 17 7.302 -0.388 3.015 189 HA ILE 17 HA ILE 17 7.258 -1.816 5.429 190 HB ILE 17 HB ILE 17 6.811 0.582 5.175 191 1HG1 ILE 17 2HG1 ILE 17 4.222 -0.371 6.304 192 2HG1 ILE 17 1HG1 ILE 17 5.694 -1.021 7.026 193 1HG2 ILE 17 1HG2 ILE 17 4.932 -0.314 3.228 194 2HG2 ILE 17 3HG2 ILE 17 4.026 0.541 4.476 195 3HG2 ILE 17 2HG2 ILE 17 5.356 1.343 3.645 196 1HD1 ILE 17 2HD1 ILE 17 5.640 1.912 6.533 197 2HD1 ILE 17 1HD1 ILE 17 4.601 1.309 7.825 198 3HD1 ILE 17 3HD1 ILE 17 6.338 1.010 7.878 199 QG1 ILE 17 QG1 ILE 17 4.958 -0.696 6.665 200 QG2 ILE 17 QG2 ILE 17 4.771 0.523 3.783 201 QD1 ILE 17 QD1 ILE 17 5.526 1.410 7.412 202 H THR 18 H THR 18 6.131 -3.565 6.133 203 HA THR 18 HA THR 18 3.908 -4.627 4.456 204 HB THR 18 HB THR 18 4.380 -6.709 5.653 205 HG1 THR 18 1HG THR 18 6.317 -5.269 7.127 206 1HG2 THR 18 2HG2 THR 18 6.112 -5.491 3.916 207 2HG2 THR 18 1HG2 THR 18 7.172 -5.830 5.283 208 3HG2 THR 18 3HG2 THR 18 6.290 -7.144 4.503 209 QG2 THR 18 QG2 THR 18 6.525 -6.155 4.567 210 H ILE 19 H ILE 19 1.824 -4.872 5.280 211 HA ILE 19 HA ILE 19 1.352 -4.277 8.167 212 HB ILE 19 HB ILE 19 -0.401 -2.649 7.529 213 1HG1 ILE 19 2HG1 ILE 19 -0.026 -1.907 4.967 214 2HG1 ILE 19 1HG1 ILE 19 0.340 -3.625 4.811 215 1HG2 ILE 19 1HG2 ILE 19 1.996 -1.954 7.898 216 2HG2 ILE 19 3HG2 ILE 19 2.215 -1.996 6.149 217 3HG2 ILE 19 2HG2 ILE 19 1.073 -0.859 6.868 218 1HD1 ILE 19 1HD1 ILE 19 -1.908 -3.725 6.355 219 2HD1 ILE 19 3HD1 ILE 19 -2.238 -2.289 5.386 220 3HD1 ILE 19 2HD1 ILE 19 -1.921 -3.834 4.596 221 QG1 ILE 19 QG1 ILE 19 0.157 -2.766 4.889 222 QG2 ILE 19 QG2 ILE 19 1.761 -1.603 6.972 223 QD1 ILE 19 QD1 ILE 19 -2.023 -3.283 5.446 224 H GLU 20 H GLU 20 -0.429 -5.376 9.014 225 HA GLU 20 HA GLU 20 -1.556 -7.550 7.382 226 1HB GLU 20 2HB GLU 20 -0.773 -7.724 9.774 227 2HB GLU 20 1HB GLU 20 -2.125 -6.689 10.237 228 1HG GLU 20 2HG GLU 20 -3.732 -8.303 9.590 229 2HG GLU 20 1HG GLU 20 -2.555 -9.218 8.645 230 QB GLU 20 QB GLU 20 -1.449 -7.207 10.006 231 QG GLU 20 QG GLU 20 -3.144 -8.760 9.118 232 H ALA 21 H ALA 21 -3.766 -7.728 6.804 233 HA ALA 21 HA ALA 21 -5.712 -5.682 7.632 234 1HB ALA 21 1HB ALA 21 -4.531 -5.848 4.844 235 2HB ALA 21 3HB ALA 21 -6.015 -4.968 5.213 236 3HB ALA 21 2HB ALA 21 -4.489 -4.467 5.942 237 QB ALA 21 QB ALA 21 -5.011 -5.095 5.333 238 H VAL 22 H VAL 22 -7.881 -6.200 6.812 239 HA VAL 22 HA VAL 22 -8.605 -8.912 6.841 240 HB VAL 22 HB VAL 22 -10.112 -7.003 7.229 241 1HG1 VAL 22 2HG1 VAL 22 -9.028 -5.692 5.261 242 2HG1 VAL 22 1HG1 VAL 22 -10.199 -6.541 4.251 243 3HG1 VAL 22 3HG1 VAL 22 -10.756 -5.484 5.548 244 1HG2 VAL 22 2HG2 VAL 22 -10.819 -9.342 6.122 245 2HG2 VAL 22 1HG2 VAL 22 -11.996 -8.064 6.426 246 3HG2 VAL 22 3HG2 VAL 22 -11.318 -8.272 4.811 247 QG1 VAL 22 QG1 VAL 22 -9.994 -5.905 5.020 248 QG2 VAL 22 QG2 VAL 22 -11.377 -8.559 5.786 249 QQG VAL 22 QQG VAL 22 -10.686 -7.232 5.403 250 H ASP 23 H ASP 23 -7.892 -6.817 4.071 251 HA ASP 23 HA ASP 23 -7.264 -9.137 2.377 252 1HB ASP 23 2HB ASP 23 -9.750 -7.462 2.153 253 2HB ASP 23 1HB ASP 23 -9.006 -8.076 0.677 254 QB ASP 23 QB ASP 23 -9.378 -7.769 1.415 255 H ALA 24 H ALA 24 -6.732 -8.164 0.046 256 HA ALA 24 HA ALA 24 -4.697 -6.179 0.359 257 1HB ALA 24 3HB ALA 24 -5.418 -8.003 -1.526 258 2HB ALA 24 2HB ALA 24 -5.974 -6.517 -2.300 259 3HB ALA 24 1HB ALA 24 -4.280 -6.690 -1.834 260 QB ALA 24 QB ALA 24 -5.224 -7.070 -1.887 261 H ALA 25 H ALA 25 -8.123 -5.956 -0.425 262 HA ALA 25 HA ALA 25 -8.273 -3.351 -1.505 263 1HB ALA 25 3HB ALA 25 -10.157 -4.865 0.329 264 2HB ALA 25 2HB ALA 25 -10.612 -3.454 -0.627 265 3HB ALA 25 1HB ALA 25 -10.132 -4.948 -1.433 266 QB ALA 25 QB ALA 25 -10.301 -4.422 -0.577 267 H GLU 26 H GLU 26 -8.461 -4.413 1.897 268 HA GLU 26 HA GLU 26 -8.634 -1.752 3.021 269 1HB GLU 26 2HB GLU 26 -9.336 -3.910 4.100 270 2HB GLU 26 1HB GLU 26 -7.635 -4.355 4.231 271 1HG GLU 26 2HG GLU 26 -7.955 -3.393 6.313 272 2HG GLU 26 1HG GLU 26 -7.455 -1.973 5.395 273 QB GLU 26 QB GLU 26 -8.485 -4.133 4.165 274 QG GLU 26 QG GLU 26 -7.705 -2.683 5.854 275 H ALA 27 H ALA 27 -5.962 -4.032 2.432 276 HA ALA 27 HA ALA 27 -3.827 -2.591 3.634 277 1HB ALA 27 3HB ALA 27 -4.219 -4.649 1.531 278 2HB ALA 27 2HB ALA 27 -2.683 -3.781 1.457 279 3HB ALA 27 1HB ALA 27 -3.134 -4.662 2.921 280 QB ALA 27 QB ALA 27 -3.345 -4.364 1.970 281 H GLU 28 H GLU 28 -5.172 -2.400 0.329 282 HA GLU 28 HA GLU 28 -3.383 -0.447 -0.729 283 1HB GLU 28 2HB GLU 28 -5.237 -1.918 -1.824 284 2HB GLU 28 1HB GLU 28 -6.328 -0.604 -1.384 285 1HG GLU 28 2HG GLU 28 -4.718 0.974 -2.565 286 2HG GLU 28 1HG GLU 28 -3.902 -0.455 -3.200 287 QB GLU 28 QB GLU 28 -5.782 -1.261 -1.604 288 QG GLU 28 QG GLU 28 -4.310 0.260 -2.883 289 H LYS 29 H LYS 29 -6.375 -0.115 1.185 290 HA LYS 29 HA LYS 29 -6.522 2.776 1.018 291 1HB LYS 29 2HB LYS 29 -7.558 0.781 3.065 292 2HB LYS 29 1HB LYS 29 -8.095 2.455 2.926 293 1HG LYS 29 2HG LYS 29 -8.344 1.464 0.326 294 2HG LYS 29 1HG LYS 29 -8.866 0.119 1.340 295 1HD LYS 29 2HD LYS 29 -10.868 1.224 1.274 296 2HD LYS 29 1HD LYS 29 -10.146 2.151 2.588 297 1HE LYS 29 2HE LYS 29 -9.284 3.238 0.038 298 2HE LYS 29 1HE LYS 29 -11.054 3.170 0.113 299 1HZ LYS 29 1HZ LYS 29 -10.967 4.184 2.307 300 2HZ LYS 29 3HZ LYS 29 -9.275 4.272 2.223 301 3HZ LYS 29 2HZ LYS 29 -10.226 5.190 1.156 302 QB LYS 29 QB LYS 29 -7.826 1.618 2.995 303 QG LYS 29 QG LYS 29 -8.605 0.792 0.833 304 QD LYS 29 QD LYS 29 -10.507 1.687 1.931 305 QE LYS 29 QE LYS 29 -10.169 3.204 0.076 306 QZ LYS 29 QZ LYS 29 -10.156 4.549 1.895 307 H ILE 30 H ILE 30 -5.333 0.548 3.555 308 HA ILE 30 HA ILE 30 -4.312 2.504 5.365 309 HB ILE 30 HB ILE 30 -3.399 -0.327 4.709 310 1HG1 ILE 30 2HG1 ILE 30 -5.212 0.635 6.940 311 2HG1 ILE 30 1HG1 ILE 30 -5.820 0.028 5.401 312 1HG2 ILE 30 3HG2 ILE 30 -1.774 1.125 6.050 313 2HG2 ILE 30 2HG2 ILE 30 -3.010 1.184 7.306 314 3HG2 ILE 30 1HG2 ILE 30 -2.302 -0.361 6.839 315 1HD1 ILE 30 1HD1 ILE 30 -4.082 -1.958 6.028 316 2HD1 ILE 30 3HD1 ILE 30 -4.559 -1.443 7.646 317 3HD1 ILE 30 2HD1 ILE 30 -5.783 -1.980 6.496 318 QG1 ILE 30 QG1 ILE 30 -5.516 0.332 6.170 319 QG2 ILE 30 QG2 ILE 30 -2.362 0.650 6.732 320 QD1 ILE 30 QD1 ILE 30 -4.808 -1.794 6.723 321 H PHE 31 H PHE 31 -2.927 0.966 2.500 322 HA PHE 31 HA PHE 31 -0.282 2.167 2.800 323 1HB PHE 31 2HB PHE 31 -1.814 0.560 0.771 324 2HB PHE 31 1HB PHE 31 -0.316 1.343 0.275 325 HD1 PHE 31 1HD PHE 31 1.454 1.152 2.527 326 HD2 PHE 31 2HD PHE 31 -1.438 -1.700 1.132 327 HE1 PHE 31 1HE PHE 31 2.758 -0.682 3.571 328 HE2 PHE 31 2HE PHE 31 -0.134 -3.531 2.180 329 1HZ PHE 31 HZ PHE 31 1.965 -3.022 3.397 330 QB PHE 31 QB PHE 31 -1.065 0.952 0.523 331 QG PHE 31 QD PHE 31 0.008 -0.274 1.829 332 QZ PHE 31 QE PHE 31 1.312 -2.107 2.875 333 QZ PHE 31 QR PHE 31 0.921 -1.557 2.561 334 H LYS 32 H LYS 32 -3.249 2.868 0.997 335 HA LYS 32 HA LYS 32 -2.137 5.104 -0.461 336 1HB LYS 32 2HB LYS 32 -4.877 3.953 -0.003 337 2HB LYS 32 1HB LYS 32 -4.648 5.433 -0.932 338 1HG LYS 32 2HG LYS 32 -2.781 3.325 -1.751 339 2HG LYS 32 1HG LYS 32 -4.465 2.834 -1.928 340 1HD LYS 32 2HD LYS 32 -3.353 5.445 -2.990 341 2HD LYS 32 1HD LYS 32 -3.544 3.985 -3.960 342 1HE LYS 32 2HE LYS 32 -5.865 4.120 -3.958 343 2HE LYS 32 1HE LYS 32 -5.912 4.996 -2.415 344 1HZ LYS 32 3HZ LYS 32 -4.752 6.100 -4.916 345 2HZ LYS 32 2HZ LYS 32 -6.332 6.429 -4.386 346 3HZ LYS 32 1HZ LYS 32 -5.000 6.925 -3.455 347 QB LYS 32 QB LYS 32 -4.763 4.693 -0.468 348 QG LYS 32 QG LYS 32 -3.623 3.080 -1.839 349 QD LYS 32 QD LYS 32 -3.448 4.715 -3.475 350 QE LYS 32 QE LYS 32 -5.889 4.558 -3.186 351 QZ LYS 32 QZ LYS 32 -5.362 6.484 -4.252 352 H GLN 33 H GLN 33 -2.797 4.832 2.789 353 HA GLN 33 HA GLN 33 -3.737 7.689 3.018 354 1HB GLN 33 2HB GLN 33 -5.075 5.814 4.095 355 2HB GLN 33 1HB GLN 33 -3.661 5.451 5.083 356 1HG GLN 33 2HG GLN 33 -3.909 7.331 6.376 357 2HG GLN 33 1HG GLN 33 -4.571 8.285 5.048 358 1HE2 GLN 33 2HE2 GLN 33 -7.279 7.347 7.558 359 2HE2 GLN 33 1HE2 GLN 33 -5.736 8.023 7.766 360 QB GLN 33 QB GLN 33 -4.368 5.632 4.589 361 QG GLN 33 QG GLN 33 -4.240 7.808 5.712 362 QE2 GLN 33 QE2 GLN 33 -6.507 7.685 7.662 363 H TYR 34 H TYR 34 -1.596 5.196 4.184 364 HA TYR 34 HA TYR 34 0.263 6.573 5.789 365 1HB TYR 34 2HB TYR 34 0.265 4.218 5.683 366 2HB TYR 34 1HB TYR 34 0.120 4.211 3.920 367 HD1 TYR 34 1HD TYR 34 2.167 4.750 2.528 368 HD2 TYR 34 2HD TYR 34 2.394 4.223 6.787 369 HE1 TYR 34 1HE TYR 34 4.621 4.451 2.362 370 HE2 TYR 34 2HE TYR 34 4.849 3.925 6.619 371 HH TYR 34 HH TYR 34 6.489 3.179 4.820 372 QB TYR 34 QB TYR 34 0.192 4.215 4.802 373 QG TYR 34 QD TYR 34 2.280 4.487 4.658 374 QZ TYR 34 QE TYR 34 4.735 4.188 4.490 375 QR TYR 34 QR TYR 34 3.508 4.338 4.574 376 H ALA 35 H ALA 35 0.053 6.207 2.258 377 HA ALA 35 HA ALA 35 2.547 7.440 1.522 378 1HB ALA 35 2HB ALA 35 -0.106 6.851 0.233 379 2HB ALA 35 1HB ALA 35 1.058 7.863 -0.624 380 3HB ALA 35 3HB ALA 35 1.491 6.213 -0.168 381 QB ALA 35 QB ALA 35 0.814 6.976 -0.186 382 H ASN 36 H ASN 36 -0.777 8.777 1.689 383 HA ASN 36 HA ASN 36 -0.195 11.442 0.926 384 1HB ASN 36 2HB ASN 36 -2.265 10.095 2.640 385 2HB ASN 36 1HB ASN 36 -2.278 11.849 2.448 386 1HD2 ASN 36 2HD2 ASN 36 -3.202 9.475 -0.768 387 2HD2 ASN 36 1HD2 ASN 36 -2.434 8.793 0.583 388 QB ASN 36 QB ASN 36 -2.271 10.972 2.544 389 QD2 ASN 36 QD2 ASN 36 -2.818 9.134 -0.092 390 H ASP 37 H ASP 37 -0.329 10.059 4.231 391 HA ASP 37 HA ASP 37 0.292 12.399 5.689 392 1HB ASP 37 2HB ASP 37 -0.407 10.026 6.430 393 2HB ASP 37 1HB ASP 37 1.314 9.644 6.372 394 QB ASP 37 QB ASP 37 0.454 9.835 6.401 395 H ASN 38 H ASN 38 2.361 10.412 3.742 396 HA ASN 38 HA ASN 38 4.791 11.695 4.808 397 1HB ASN 38 2HB ASN 38 4.084 9.216 3.320 398 2HB ASN 38 1HB ASN 38 5.689 9.890 3.037 399 1HD2 ASN 38 1HD2 ASN 38 4.088 7.724 5.004 400 2HD2 ASN 38 2HD2 ASN 38 5.103 7.784 6.364 401 QB ASN 38 QB ASN 38 4.886 9.553 3.179 402 QD2 ASN 38 QD2 ASN 38 4.596 7.754 5.684 403 H GLY 39 H GLY 39 2.728 11.606 1.984 404 1HA GLY 39 2HA GLY 39 2.744 13.519 0.438 405 2HA GLY 39 1HA GLY 39 4.486 13.647 0.691 406 QA GLY 39 QA GLY 39 3.615 13.583 0.565 407 H ILE 40 H ILE 40 2.812 10.595 0.210 408 HA ILE 40 HA ILE 40 4.467 10.090 -2.205 409 HB ILE 40 HB ILE 40 3.004 8.563 -0.094 410 1HG1 ILE 40 2HG1 ILE 40 5.134 7.276 -0.091 411 2HG1 ILE 40 1HG1 ILE 40 5.715 8.321 -1.386 412 1HG2 ILE 40 1HG2 ILE 40 2.188 7.561 -2.242 413 2HG2 ILE 40 3HG2 ILE 40 3.869 7.229 -2.664 414 3HG2 ILE 40 2HG2 ILE 40 3.139 6.457 -1.253 415 1HD1 ILE 40 3HD1 ILE 40 4.734 9.348 1.283 416 2HD1 ILE 40 2HD1 ILE 40 6.436 9.045 0.920 417 3HD1 ILE 40 1HD1 ILE 40 5.546 10.273 0.015 418 QG1 ILE 40 QG1 ILE 40 5.425 7.798 -0.738 419 QG2 ILE 40 QG2 ILE 40 3.066 7.082 -2.053 420 QD1 ILE 40 QD1 ILE 40 5.572 9.556 0.740 421 H ASP 41 H ASP 41 3.466 10.928 -3.993 422 HA ASP 41 HA ASP 41 0.708 9.991 -4.629 423 1HB ASP 41 2HB ASP 41 0.872 12.294 -3.398 424 2HB ASP 41 1HB ASP 41 1.443 12.894 -4.956 425 QB ASP 41 QB ASP 41 1.157 12.594 -4.177 426 H GLY 42 H GLY 42 1.342 8.856 -6.466 427 1HA GLY 42 2HA GLY 42 2.127 10.422 -8.812 428 2HA GLY 42 1HA GLY 42 3.337 9.247 -8.295 429 QA GLY 42 QA GLY 42 2.732 9.834 -8.553 430 H GLU 43 H GLU 43 2.111 7.013 -7.683 431 HA GLU 43 HA GLU 43 -0.039 6.377 -9.633 432 1HB GLU 43 2HB GLU 43 2.539 6.227 -10.443 433 2HB GLU 43 1HB GLU 43 2.374 4.628 -9.718 434 1HG GLU 43 2HG GLU 43 1.629 4.176 -11.866 435 2HG GLU 43 1HG GLU 43 0.103 4.618 -11.103 436 QB GLU 43 QB GLU 43 2.456 5.428 -10.081 437 QG GLU 43 QG GLU 43 0.866 4.397 -11.485 438 H TRP 44 H TRP 44 -0.539 3.888 -9.385 439 HA TRP 44 HA TRP 44 0.172 2.669 -6.776 440 1HB TRP 44 2HB TRP 44 -2.444 4.024 -7.412 441 2HB TRP 44 1HB TRP 44 -2.467 2.557 -6.423 442 HD1 TRP 44 HD TRP 44 -1.539 6.219 -6.294 443 HE1 TRP 44 1HE TRP 44 -0.738 6.783 -3.906 444 HE3 TRP 44 3HE TRP 44 -1.305 1.529 -4.353 445 HZ2 TRP 44 2HZ TRP 44 -0.082 5.404 -1.480 446 HZ3 TRP 44 3HZ TRP 44 -0.594 1.171 -1.996 447 HH2 TRP 44 HH TRP 44 0.023 3.102 -0.569 448 QB TRP 44 QB TRP 44 -2.455 3.291 -6.918 449 H THR 45 H THR 45 0.267 0.505 -7.158 450 HA THR 45 HA THR 45 -1.675 -0.741 -9.047 451 HB THR 45 HB THR 45 0.054 -1.745 -10.360 452 HG1 THR 45 1HG THR 45 1.577 -2.337 -8.962 453 1HG2 THR 45 1HG2 THR 45 -0.329 0.644 -10.876 454 2HG2 THR 45 3HG2 THR 45 0.958 1.080 -9.750 455 3HG2 THR 45 2HG2 THR 45 1.335 0.164 -11.214 456 QG2 THR 45 QG2 THR 45 0.654 0.629 -10.614 457 H TYR 46 H TYR 46 -2.365 -2.665 -8.235 458 HA TYR 46 HA TYR 46 -1.026 -3.714 -5.794 459 1HB TYR 46 2HB TYR 46 -3.395 -3.309 -5.621 460 2HB TYR 46 1HB TYR 46 -3.714 -4.176 -7.126 461 HD1 TYR 46 2HD TYR 46 -1.749 -4.898 -4.005 462 HD2 TYR 46 1HD TYR 46 -4.746 -6.242 -6.771 463 HE1 TYR 46 2HE TYR 46 -1.953 -7.024 -2.751 464 HE2 TYR 46 1HE TYR 46 -4.942 -8.374 -5.520 465 HH TYR 46 HH TYR 46 -2.737 -9.487 -3.430 466 QB TYR 46 QB TYR 46 -3.555 -3.742 -6.374 467 QG TYR 46 QD TYR 46 -3.247 -5.570 -5.388 468 QZ TYR 46 QE TYR 46 -3.448 -7.699 -4.135 469 QR TYR 46 QR TYR 46 -3.348 -6.635 -4.762 470 H ASP 47 H ASP 47 -0.253 -5.852 -5.695 471 HA ASP 47 HA ASP 47 -0.021 -7.288 -8.319 472 1HB ASP 47 2HB ASP 47 2.019 -6.197 -7.128 473 2HB ASP 47 1HB ASP 47 1.869 -7.523 -5.975 474 QB ASP 47 QB ASP 47 1.944 -6.860 -6.551 475 H ASP 48 H ASP 48 -1.771 -8.717 -8.057 476 HA ASP 48 HA ASP 48 -2.412 -10.072 -5.590 477 1HB ASP 48 2HB ASP 48 -3.870 -9.570 -7.626 478 2HB ASP 48 1HB ASP 48 -3.078 -10.939 -8.407 479 QB ASP 48 QB ASP 48 -3.474 -10.255 -8.017 480 H ALA 49 H ALA 49 0.186 -10.559 -7.708 481 HA ALA 49 HA ALA 49 0.336 -13.487 -7.345 482 1HB ALA 49 3HB ALA 49 0.885 -12.383 -9.500 483 2HB ALA 49 2HB ALA 49 2.160 -11.466 -8.696 484 3HB ALA 49 1HB ALA 49 2.289 -13.219 -8.838 485 QB ALA 49 QB ALA 49 1.778 -12.356 -9.011 486 H THR 50 H THR 50 1.706 -10.506 -6.068 487 HA THR 50 HA THR 50 3.419 -12.139 -4.223 488 HB THR 50 HB THR 50 4.968 -10.183 -4.312 489 HG1 THR 50 1HG THR 50 3.480 -8.589 -4.842 490 1HG2 THR 50 3HG2 THR 50 4.849 -12.191 -6.038 491 2HG2 THR 50 2HG2 THR 50 4.436 -10.899 -7.166 492 3HG2 THR 50 1HG2 THR 50 5.967 -10.850 -6.290 493 QG2 THR 50 QG2 THR 50 5.084 -11.314 -6.498 494 H LYS 51 H LYS 51 0.626 -10.389 -4.339 495 HA LYS 51 HA LYS 51 -0.628 -9.185 -2.748 496 1HB LYS 51 2HB LYS 51 1.398 -10.535 -0.927 497 2HB LYS 51 1HB LYS 51 -0.148 -9.860 -0.412 498 1HG LYS 51 2HG LYS 51 -0.074 -11.915 -2.608 499 2HG LYS 51 1HG LYS 51 0.015 -12.425 -0.923 500 1HD LYS 51 2HD LYS 51 -2.046 -10.764 -0.672 501 2HD LYS 51 1HD LYS 51 -2.239 -11.119 -2.389 502 1HE LYS 51 2HE LYS 51 -1.827 -13.634 -1.435 503 2HE LYS 51 1HE LYS 51 -2.654 -12.892 -0.050 504 1HZ LYS 51 3HZ LYS 51 -4.271 -11.960 -1.686 505 2HZ LYS 51 2HZ LYS 51 -3.563 -12.945 -2.875 506 3HZ LYS 51 1HZ LYS 51 -4.331 -13.647 -1.533 507 QB LYS 51 QB LYS 51 0.625 -10.197 -0.670 508 QG LYS 51 QG LYS 51 -0.030 -12.170 -1.766 509 QD LYS 51 QD LYS 51 -2.143 -10.941 -1.531 510 QE LYS 51 QE LYS 51 -2.240 -13.263 -0.743 511 QZ LYS 51 QZ LYS 51 -4.055 -12.851 -2.032 512 H THR 52 H THR 52 1.484 -7.735 -4.038 513 HA THR 52 HA THR 52 2.225 -5.825 -1.834 514 HB THR 52 HB THR 52 3.935 -6.557 -4.224 515 HG1 THR 52 1HG THR 52 5.006 -7.935 -2.842 516 1HG2 THR 52 2HG2 THR 52 4.234 -4.861 -1.781 517 2HG2 THR 52 1HG2 THR 52 5.658 -5.703 -2.391 518 3HG2 THR 52 3HG2 THR 52 4.796 -4.566 -3.426 519 QG2 THR 52 QG2 THR 52 4.896 -5.043 -2.533 520 H PHE 53 H PHE 53 1.857 -3.671 -2.317 521 HA PHE 53 HA PHE 53 0.588 -3.038 -4.918 522 1HB PHE 53 2HB PHE 53 0.939 -1.592 -2.279 523 2HB PHE 53 1HB PHE 53 0.138 -0.860 -3.671 524 HD1 PHE 53 2HD PHE 53 0.024 -3.767 -1.336 525 HD2 PHE 53 1HD PHE 53 -2.130 -1.389 -4.204 526 HE1 PHE 53 2HE PHE 53 -2.084 -4.939 -0.730 527 HE2 PHE 53 1HE PHE 53 -4.224 -2.569 -3.598 528 1HZ PHE 53 HZ PHE 53 -4.200 -4.340 -1.867 529 QB PHE 53 QB PHE 53 0.539 -1.226 -2.975 530 QG PHE 53 QD PHE 53 -1.053 -2.578 -2.770 531 QZ PHE 53 QE PHE 53 -3.154 -3.754 -2.164 532 QZ PHE 53 QR PHE 53 -2.523 -3.401 -2.347 533 H THR 54 H THR 54 1.317 -0.423 -5.459 534 HA THR 54 HA THR 54 4.238 -0.105 -5.194 535 HB THR 54 HB THR 54 3.150 -0.209 -7.990 536 HG1 THR 54 1HG THR 54 3.792 -2.461 -7.988 537 1HG2 THR 54 2HG2 THR 54 5.794 -0.597 -6.613 538 2HG2 THR 54 1HG2 THR 54 5.542 -1.185 -8.257 539 3HG2 THR 54 3HG2 THR 54 5.372 0.533 -7.900 540 QG2 THR 54 QG2 THR 54 5.570 -0.417 -7.590 541 H VAL 55 H VAL 55 4.017 1.990 -4.462 542 HA VAL 55 HA VAL 55 2.339 3.816 -6.118 543 HB VAL 55 HB VAL 55 1.484 3.518 -3.871 544 1HG1 VAL 55 2HG1 VAL 55 4.311 4.197 -3.016 545 2HG1 VAL 55 1HG1 VAL 55 2.929 4.189 -1.914 546 3HG1 VAL 55 3HG1 VAL 55 3.415 2.697 -2.723 547 1HG2 VAL 55 3HG2 VAL 55 1.374 5.807 -4.777 548 2HG2 VAL 55 2HG2 VAL 55 1.589 5.835 -3.025 549 3HG2 VAL 55 1HG2 VAL 55 2.959 6.160 -4.090 550 QG1 VAL 55 QG1 VAL 55 3.551 3.694 -2.551 551 QG2 VAL 55 QG2 VAL 55 1.974 5.934 -3.964 552 QQG VAL 55 QQG VAL 55 2.763 4.814 -3.258 553 H THR 56 H THR 56 3.298 5.522 -7.073 554 HA THR 56 HA THR 56 6.139 6.114 -6.331 555 HB THR 56 HB THR 56 5.325 4.917 -8.581 556 HG1 THR 56 1HG THR 56 7.232 6.990 -8.748 557 1HG2 THR 56 3HG2 THR 56 3.849 6.942 -9.143 558 2HG2 THR 56 2HG2 THR 56 5.355 7.780 -9.519 559 3HG2 THR 56 1HG2 THR 56 4.907 6.326 -10.415 560 QG2 THR 56 QG2 THR 56 4.704 7.016 -9.692 561 H GLU 57 H GLU 57 6.596 8.429 -7.571 562 HA GLU 57 HA GLU 57 4.391 10.279 -6.708 563 1HB GLU 57 2HB GLU 57 6.416 10.047 -5.176 564 2HB GLU 57 1HB GLU 57 7.380 10.746 -6.475 565 1HG GLU 57 2HG GLU 57 5.175 12.468 -6.236 566 2HG GLU 57 1HG GLU 57 5.607 12.071 -4.574 567 QB GLU 57 QB GLU 57 6.898 10.396 -5.826 568 QG GLU 57 QG GLU 57 5.391 12.269 -5.405 No H/Q in entry = 568 Start of MODEL 8 1 1H MET 1 2HT MET 1 -2.317 -15.663 6.568 2 2H MET 1 1HT MET 1 -0.638 -15.723 6.316 3 3H MET 1 3HT MET 1 -1.276 -16.052 7.853 4 HA MET 1 HA MET 1 -2.011 -13.773 8.099 5 1HB MET 1 2HB MET 1 0.462 -14.793 8.338 6 2HB MET 1 1HB MET 1 0.800 -13.571 7.112 7 1HG MET 1 2HG MET 1 -0.020 -11.809 8.522 8 2HG MET 1 1HG MET 1 -0.680 -12.962 9.681 9 1HE MET 1 3HE MET 1 0.425 -14.479 10.990 10 2HE MET 1 2HE MET 1 1.994 -14.240 11.754 11 3HE MET 1 1HE MET 1 0.702 -13.074 12.027 12 QB MET 1 QB MET 1 0.631 -14.182 7.725 13 QG MET 1 QG MET 1 -0.350 -12.385 9.101 14 QE MET 1 QE MET 1 1.040 -13.931 11.590 15 H THR 2 H THR 2 -2.482 -11.792 7.120 16 HA THR 2 HA THR 2 -2.175 -11.680 4.145 17 HB THR 2 HB THR 2 -3.989 -10.124 6.018 18 HG1 THR 2 1HG THR 2 -4.525 -12.270 6.146 19 1HG2 THR 2 1HG2 THR 2 -3.676 -10.354 3.048 20 2HG2 THR 2 3HG2 THR 2 -5.287 -10.092 3.714 21 3HG2 THR 2 2HG2 THR 2 -4.002 -8.926 4.029 22 QG2 THR 2 QG2 THR 2 -4.322 -9.790 3.597 23 H THR 3 H THR 3 0.099 -11.000 5.738 24 HA THR 3 HA THR 3 0.294 -8.182 6.304 25 HB THR 3 HB THR 3 2.501 -10.103 5.508 26 HG1 THR 3 1HG THR 3 1.741 -11.205 7.128 27 1HG2 THR 3 2HG2 THR 3 2.616 -7.431 6.152 28 2HG2 THR 3 1HG2 THR 3 2.869 -8.197 7.722 29 3HG2 THR 3 3HG2 THR 3 3.939 -8.576 6.373 30 QG2 THR 3 QG2 THR 3 3.141 -8.068 6.749 31 H PHE 4 H PHE 4 -0.658 -7.210 4.363 32 HA PHE 4 HA PHE 4 0.462 -7.592 1.720 33 1HB PHE 4 2HB PHE 4 -1.404 -5.726 3.125 34 2HB PHE 4 1HB PHE 4 -0.762 -5.213 1.565 35 HD1 PHE 4 1HD PHE 4 -0.808 -7.062 -0.323 36 HD2 PHE 4 2HD PHE 4 -3.329 -7.054 3.152 37 HE1 PHE 4 1HE PHE 4 -2.414 -8.546 -1.489 38 HE2 PHE 4 2HE PHE 4 -4.939 -8.537 1.983 39 1HZ PHE 4 HZ PHE 4 -4.481 -9.283 -0.336 40 QB PHE 4 QB PHE 4 -1.083 -5.470 2.345 41 QG PHE 4 QD PHE 4 -2.069 -7.058 1.414 42 QZ PHE 4 QE PHE 4 -3.676 -8.541 0.247 43 QZ PHE 4 QR PHE 4 -3.194 -8.096 0.597 44 H LYS 5 H LYS 5 2.088 -6.403 0.686 45 HA LYS 5 HA LYS 5 3.687 -4.564 2.429 46 1HB LYS 5 2HB LYS 5 4.364 -6.211 -0.033 47 2HB LYS 5 1HB LYS 5 5.510 -5.182 0.825 48 1HG LYS 5 2HG LYS 5 5.970 -7.020 2.070 49 2HG LYS 5 1HG LYS 5 4.435 -6.696 2.874 50 1HD LYS 5 2HD LYS 5 3.281 -8.291 1.596 51 2HD LYS 5 1HD LYS 5 4.500 -8.289 0.320 52 1HE LYS 5 2HE LYS 5 5.244 -9.188 3.101 53 2HE LYS 5 1HE LYS 5 4.462 -10.313 1.974 54 1HZ LYS 5 2HZ LYS 5 6.820 -8.650 1.274 55 2HZ LYS 5 1HZ LYS 5 6.934 -10.261 1.798 56 3HZ LYS 5 3HZ LYS 5 6.131 -9.898 0.349 57 QB LYS 5 QB LYS 5 4.937 -5.697 0.396 58 QG LYS 5 QG LYS 5 5.202 -6.858 2.472 59 QD LYS 5 QD LYS 5 3.890 -8.290 0.958 60 QE LYS 5 QE LYS 5 4.853 -9.750 2.538 61 QZ LYS 5 QZ LYS 5 6.628 -9.603 1.140 62 H LEU 6 H LEU 6 4.967 -2.918 0.925 63 HA LEU 6 HA LEU 6 3.362 -1.943 -1.368 64 1HB LEU 6 2HB LEU 6 2.258 -0.999 0.601 65 2HB LEU 6 1HB LEU 6 3.801 -0.419 1.223 66 HG LEU 6 HG LEU 6 3.994 0.941 -0.948 67 1HD1 LEU 6 1HD1 LEU 6 1.100 0.068 -1.076 68 2HD1 LEU 6 3HD1 LEU 6 1.723 1.470 -1.945 69 3HD1 LEU 6 2HD1 LEU 6 2.343 -0.139 -2.309 70 1HD2 LEU 6 1HD2 LEU 6 3.136 1.664 1.444 71 2HD2 LEU 6 3HD2 LEU 6 2.968 2.762 0.076 72 3HD2 LEU 6 2HD2 LEU 6 1.588 1.810 0.616 73 QB LEU 6 QB LEU 6 3.029 -0.709 0.912 74 QD1 LEU 6 QD1 LEU 6 1.722 0.466 -1.777 75 QD2 LEU 6 QD2 LEU 6 2.564 2.078 0.712 76 QQD LEU 6 QQD LEU 6 2.143 1.272 -0.532 77 H ILE 7 H ILE 7 5.033 -1.788 -2.832 78 HA ILE 7 HA ILE 7 7.736 -0.951 -2.039 79 HB ILE 7 HB ILE 7 6.388 -1.498 -4.711 80 1HG1 ILE 7 2HG1 ILE 7 6.465 -3.468 -3.231 81 2HG1 ILE 7 1HG1 ILE 7 7.577 -3.667 -4.583 82 1HG2 ILE 7 1HG2 ILE 7 9.327 -1.191 -4.023 83 2HG2 ILE 7 3HG2 ILE 7 8.697 -1.695 -5.592 84 3HG2 ILE 7 2HG2 ILE 7 8.365 -0.071 -4.989 85 1HD1 ILE 7 1HD1 ILE 7 9.245 -2.496 -2.796 86 2HD1 ILE 7 3HD1 ILE 7 8.156 -3.330 -1.687 87 3HD1 ILE 7 2HD1 ILE 7 9.037 -4.243 -2.911 88 QG1 ILE 7 QG1 ILE 7 7.021 -3.567 -3.907 89 QG2 ILE 7 QG2 ILE 7 8.796 -0.986 -4.868 90 QD1 ILE 7 QD1 ILE 7 8.813 -3.356 -2.465 91 H ILE 8 H ILE 8 7.881 1.241 -1.533 92 HA ILE 8 HA ILE 8 6.157 3.174 -2.921 93 HB ILE 8 HB ILE 8 8.459 3.815 -1.075 94 1HG1 ILE 8 2HG1 ILE 8 6.627 1.996 -0.218 95 2HG1 ILE 8 1HG1 ILE 8 7.334 3.194 0.845 96 1HG2 ILE 8 3HG2 ILE 8 5.996 5.162 -2.097 97 2HG2 ILE 8 2HG2 ILE 8 6.570 5.597 -0.485 98 3HG2 ILE 8 1HG2 ILE 8 7.628 5.803 -1.881 99 1HD1 ILE 8 2HD1 ILE 8 4.729 3.642 -0.631 100 2HD1 ILE 8 1HD1 ILE 8 4.813 2.962 0.992 101 3HD1 ILE 8 3HD1 ILE 8 5.395 4.601 0.692 102 QG1 ILE 8 QG1 ILE 8 6.981 2.595 0.314 103 QG2 ILE 8 QG2 ILE 8 6.731 5.521 -1.488 104 QD1 ILE 8 QD1 ILE 8 4.979 3.735 0.351 105 H ASN 9 H ASN 9 6.743 3.998 -4.881 106 HA ASN 9 HA ASN 9 9.660 4.147 -5.560 107 1HB ASN 9 2HB ASN 9 8.218 2.680 -6.946 108 2HB ASN 9 1HB ASN 9 7.179 4.056 -7.311 109 1HD2 ASN 9 2HD2 ASN 9 9.229 5.126 -9.956 110 2HD2 ASN 9 1HD2 ASN 9 7.706 5.152 -9.207 111 QB ASN 9 QB ASN 9 7.698 3.368 -7.128 112 QD2 ASN 9 QD2 ASN 9 8.467 5.139 -9.582 113 H GLY 10 H GLY 10 10.509 6.149 -6.172 114 1HA GLY 10 2HA GLY 10 9.598 8.387 -7.290 115 2HA GLY 10 1HA GLY 10 8.762 8.509 -5.740 116 QA GLY 10 QA GLY 10 9.180 8.448 -6.515 117 H LYS 11 H LYS 11 9.946 10.385 -5.103 118 HA LYS 11 HA LYS 11 12.845 9.884 -4.509 119 1HB LYS 11 2HB LYS 11 13.111 12.330 -4.849 120 2HB LYS 11 1HB LYS 11 12.453 11.542 -6.283 121 1HG LYS 11 2HG LYS 11 10.219 12.284 -5.754 122 2HG LYS 11 1HG LYS 11 10.734 12.876 -4.174 123 1HD LYS 11 2HD LYS 11 12.437 14.286 -5.674 124 2HD LYS 11 1HD LYS 11 11.166 14.069 -6.878 125 1HE LYS 11 2HE LYS 11 9.511 14.917 -5.143 126 2HE LYS 11 1HE LYS 11 10.910 15.364 -4.147 127 1HZ LYS 11 3HZ LYS 11 11.795 16.617 -6.024 128 2HZ LYS 11 2HZ LYS 11 10.430 16.220 -6.953 129 3HZ LYS 11 1HZ LYS 11 10.268 17.204 -5.577 130 QB LYS 11 QB LYS 11 12.782 11.936 -5.566 131 QG LYS 11 QG LYS 11 10.477 12.580 -4.964 132 QD LYS 11 QD LYS 11 11.802 14.178 -6.276 133 QE LYS 11 QE LYS 11 10.211 15.140 -4.645 134 QZ LYS 11 QZ LYS 11 10.831 16.680 -6.185 135 H THR 12 H THR 12 10.084 9.747 -2.901 136 HA THR 12 HA THR 12 10.989 11.427 -0.585 137 HB THR 12 HB THR 12 8.492 11.039 0.041 138 HG1 THR 12 1HG THR 12 7.232 10.257 -1.503 139 1HG2 THR 12 1HG2 THR 12 9.220 12.645 -2.425 140 2HG2 THR 12 3HG2 THR 12 7.790 12.895 -1.423 141 3HG2 THR 12 2HG2 THR 12 9.396 13.189 -0.756 142 QG2 THR 12 QG2 THR 12 8.802 12.910 -1.535 143 H LEU 13 H LEU 13 9.210 8.398 -1.262 144 HA LEU 13 HA LEU 13 10.511 7.185 1.153 145 1HB LEU 13 2HB LEU 13 7.788 7.242 0.006 146 2HB LEU 13 1HB LEU 13 8.321 5.639 0.519 147 HG LEU 13 HG LEU 13 8.458 8.119 2.252 148 1HD1 LEU 13 2HD1 LEU 13 6.327 6.090 1.765 149 2HD1 LEU 13 1HD1 LEU 13 6.628 6.530 3.449 150 3HD1 LEU 13 3HD1 LEU 13 6.185 7.774 2.278 151 1HD2 LEU 13 3HD2 LEU 13 9.921 5.828 2.475 152 2HD2 LEU 13 2HD2 LEU 13 9.414 6.794 3.860 153 3HD2 LEU 13 1HD2 LEU 13 8.482 5.374 3.387 154 QB LEU 13 QB LEU 13 8.055 6.440 0.263 155 QD1 LEU 13 QD1 LEU 13 6.380 6.798 2.497 156 QD2 LEU 13 QD2 LEU 13 9.272 5.999 3.241 157 QQD LEU 13 QQD LEU 13 7.826 6.398 2.869 158 H LYS 14 H LYS 14 10.812 4.738 0.880 159 HA LYS 14 HA LYS 14 10.863 3.572 -1.744 160 1HB LYS 14 2HB LYS 14 13.361 3.533 -1.955 161 2HB LYS 14 1HB LYS 14 12.688 5.160 -2.039 162 1HG LYS 14 2HG LYS 14 13.116 4.785 0.687 163 2HG LYS 14 1HG LYS 14 14.506 3.996 -0.055 164 1HD LYS 14 2HD LYS 14 15.142 6.279 0.242 165 2HD LYS 14 1HD LYS 14 14.773 6.104 -1.474 166 1HE LYS 14 2HE LYS 14 12.685 7.212 -1.257 167 2HE LYS 14 1HE LYS 14 12.673 7.017 0.507 168 1HZ LYS 14 2HZ LYS 14 14.710 8.563 -1.011 169 2HZ LYS 14 1HZ LYS 14 13.393 9.257 -0.191 170 3HZ LYS 14 3HZ LYS 14 14.593 8.431 0.679 171 QB LYS 14 QB LYS 14 13.025 4.346 -1.997 172 QG LYS 14 QG LYS 14 13.811 4.390 0.316 173 QD LYS 14 QD LYS 14 14.958 6.192 -0.616 174 QE LYS 14 QE LYS 14 12.679 7.115 -0.375 175 QZ LYS 14 QZ LYS 14 14.232 8.750 -0.174 176 H GLY 15 H GLY 15 9.910 1.799 -0.624 177 1HA GLY 15 2HA GLY 15 11.374 -0.373 0.110 178 2HA GLY 15 1HA GLY 15 11.362 0.553 1.611 179 QA GLY 15 QA GLY 15 11.368 0.090 0.861 180 H GLU 16 H GLU 16 10.202 -1.840 1.796 181 HA GLU 16 HA GLU 16 7.280 -1.540 1.354 182 1HB GLU 16 2HB GLU 16 7.300 -3.953 1.656 183 2HB GLU 16 1HB GLU 16 8.630 -3.511 0.586 184 1HG GLU 16 2HG GLU 16 9.849 -3.359 3.036 185 2HG GLU 16 1HG GLU 16 8.714 -4.681 3.297 186 QB GLU 16 QB GLU 16 7.965 -3.732 1.121 187 QG GLU 16 QG GLU 16 9.282 -4.020 3.166 188 H ILE 17 H ILE 17 5.814 -1.973 3.157 189 HA ILE 17 HA ILE 17 7.029 -1.411 5.845 190 HB ILE 17 HB ILE 17 4.298 -0.730 4.710 191 1HG1 ILE 17 2HG1 ILE 17 6.216 1.383 5.535 192 2HG1 ILE 17 1HG1 ILE 17 6.647 0.491 4.076 193 1HG2 ILE 17 3HG2 ILE 17 4.345 -1.117 7.180 194 2HG2 ILE 17 2HG2 ILE 17 5.590 0.125 7.316 195 3HG2 ILE 17 1HG2 ILE 17 3.975 0.555 6.756 196 1HD1 ILE 17 1HD1 ILE 17 4.372 0.952 3.164 197 2HD1 ILE 17 3HD1 ILE 17 4.029 1.931 4.590 198 3HD1 ILE 17 2HD1 ILE 17 5.292 2.427 3.465 199 QG1 ILE 17 QG1 ILE 17 6.431 0.937 4.806 200 QG2 ILE 17 QG2 ILE 17 4.637 -0.146 7.084 201 QD1 ILE 17 QD1 ILE 17 4.564 1.770 3.740 202 H THR 18 H THR 18 5.131 -3.635 3.981 203 HA THR 18 HA THR 18 3.904 -5.565 4.534 204 HB THR 18 HB THR 18 5.119 -6.978 6.113 205 HG1 THR 18 1HG THR 18 6.470 -6.167 7.568 206 1HG2 THR 18 1HG2 THR 18 6.167 -5.908 3.832 207 2HG2 THR 18 3HG2 THR 18 7.415 -5.490 5.006 208 3HG2 THR 18 2HG2 THR 18 6.948 -7.175 4.779 209 QG2 THR 18 QG2 THR 18 6.843 -6.191 4.539 210 H ILE 19 H ILE 19 1.850 -4.875 5.187 211 HA ILE 19 HA ILE 19 1.442 -4.677 8.149 212 HB ILE 19 HB ILE 19 -0.196 -2.882 7.716 213 1HG1 ILE 19 2HG1 ILE 19 0.269 -1.981 5.154 214 2HG1 ILE 19 1HG1 ILE 19 0.273 -3.728 4.924 215 1HG2 ILE 19 1HG2 ILE 19 2.394 -2.533 7.910 216 2HG2 ILE 19 3HG2 ILE 19 2.275 -2.078 6.210 217 3HG2 ILE 19 2HG2 ILE 19 1.373 -1.179 7.428 218 1HD1 ILE 19 1HD1 ILE 19 -1.901 -3.795 6.239 219 2HD1 ILE 19 3HD1 ILE 19 -1.926 -2.035 6.134 220 3HD1 ILE 19 2HD1 ILE 19 -2.003 -3.007 4.664 221 QG1 ILE 19 QG1 ILE 19 0.271 -2.855 5.039 222 QG2 ILE 19 QG2 ILE 19 2.014 -1.930 7.183 223 QD1 ILE 19 QD1 ILE 19 -1.943 -2.946 5.679 224 H GLU 20 H GLU 20 -0.165 -6.004 8.889 225 HA GLU 20 HA GLU 20 -1.517 -7.830 7.065 226 1HB GLU 20 2HB GLU 20 -0.699 -7.900 9.645 227 2HB GLU 20 1HB GLU 20 -2.401 -7.502 9.889 228 1HG GLU 20 2HG GLU 20 -3.074 -9.438 8.544 229 2HG GLU 20 1HG GLU 20 -1.381 -9.822 8.223 230 QB GLU 20 QB GLU 20 -1.550 -7.701 9.767 231 QG GLU 20 QG GLU 20 -2.228 -9.630 8.383 232 H ALA 21 H ALA 21 -3.787 -7.920 6.655 233 HA ALA 21 HA ALA 21 -5.592 -5.847 7.693 234 1HB ALA 21 3HB ALA 21 -4.269 -4.667 5.972 235 2HB ALA 21 2HB ALA 21 -4.701 -5.903 4.789 236 3HB ALA 21 1HB ALA 21 -5.945 -4.841 5.453 237 QB ALA 21 QB ALA 21 -4.972 -5.137 5.405 238 H VAL 22 H VAL 22 -7.817 -6.167 6.819 239 HA VAL 22 HA VAL 22 -8.686 -8.843 6.770 240 HB VAL 22 HB VAL 22 -10.085 -6.873 7.259 241 1HG1 VAL 22 1HG1 VAL 22 -8.933 -5.606 5.245 242 2HG1 VAL 22 3HG1 VAL 22 -10.286 -6.264 4.327 243 3HG1 VAL 22 2HG1 VAL 22 -10.586 -5.212 5.709 244 1HG2 VAL 22 3HG2 VAL 22 -10.917 -9.127 6.040 245 2HG2 VAL 22 2HG2 VAL 22 -12.023 -7.820 6.463 246 3HG2 VAL 22 1HG2 VAL 22 -11.406 -7.954 4.817 247 QG1 VAL 22 QG1 VAL 22 -9.935 -5.694 5.094 248 QG2 VAL 22 QG2 VAL 22 -11.449 -8.300 5.773 249 QQG VAL 22 QQG VAL 22 -10.692 -6.997 5.434 250 H ASP 23 H ASP 23 -7.732 -6.723 4.117 251 HA ASP 23 HA ASP 23 -7.265 -8.970 2.321 252 1HB ASP 23 2HB ASP 23 -9.020 -8.272 0.690 253 2HB ASP 23 1HB ASP 23 -9.719 -8.785 2.223 254 QB ASP 23 QB ASP 23 -9.370 -8.528 1.457 255 H ALA 24 H ALA 24 -6.752 -7.944 0.007 256 HA ALA 24 HA ALA 24 -4.679 -5.998 0.349 257 1HB ALA 24 3HB ALA 24 -5.365 -7.772 -1.554 258 2HB ALA 24 2HB ALA 24 -6.042 -6.318 -2.289 259 3HB ALA 24 1HB ALA 24 -4.323 -6.390 -1.898 260 QB ALA 24 QB ALA 24 -5.243 -6.827 -1.914 261 H ALA 25 H ALA 25 -8.109 -5.709 -0.395 262 HA ALA 25 HA ALA 25 -8.222 -3.072 -1.407 263 1HB ALA 25 1HB ALA 25 -10.026 -4.942 0.076 264 2HB ALA 25 3HB ALA 25 -10.541 -3.263 -0.088 265 3HB ALA 25 2HB ALA 25 -10.228 -4.233 -1.526 266 QB ALA 25 QB ALA 25 -10.265 -4.146 -0.513 267 H GLU 26 H GLU 26 -8.326 -4.246 1.958 268 HA GLU 26 HA GLU 26 -8.520 -1.611 3.161 269 1HB GLU 26 2HB GLU 26 -9.220 -3.776 4.201 270 2HB GLU 26 1HB GLU 26 -7.526 -4.264 4.267 271 1HG GLU 26 2HG GLU 26 -6.995 -2.690 5.904 272 2HG GLU 26 1HG GLU 26 -8.360 -1.652 5.492 273 QB GLU 26 QB GLU 26 -8.373 -4.020 4.234 274 QG GLU 26 QG GLU 26 -7.677 -2.171 5.698 275 H ALA 27 H ALA 27 -5.845 -3.882 2.532 276 HA ALA 27 HA ALA 27 -3.719 -2.425 3.737 277 1HB ALA 27 3HB ALA 27 -4.124 -4.576 1.782 278 2HB ALA 27 2HB ALA 27 -2.660 -3.643 1.464 279 3HB ALA 27 1HB ALA 27 -2.890 -4.421 3.032 280 QB ALA 27 QB ALA 27 -3.225 -4.213 2.093 281 H GLU 28 H GLU 28 -5.001 -2.294 0.397 282 HA GLU 28 HA GLU 28 -3.230 -0.309 -0.626 283 1HB GLU 28 2HB GLU 28 -5.021 -1.834 -1.756 284 2HB GLU 28 1HB GLU 28 -6.146 -0.530 -1.373 285 1HG GLU 28 2HG GLU 28 -4.242 0.972 -2.459 286 2HG GLU 28 1HG GLU 28 -3.831 -0.535 -3.280 287 QB GLU 28 QB GLU 28 -5.584 -1.182 -1.564 288 QG GLU 28 QG GLU 28 -4.036 0.218 -2.870 289 H LYS 29 H LYS 29 -6.205 -0.043 1.301 290 HA LYS 29 HA LYS 29 -6.460 2.845 1.061 291 1HB LYS 29 2HB LYS 29 -7.494 0.710 2.939 292 2HB LYS 29 1HB LYS 29 -7.896 2.412 3.161 293 1HG LYS 29 2HG LYS 29 -8.431 2.127 0.507 294 2HG LYS 29 1HG LYS 29 -8.824 0.509 1.089 295 1HD LYS 29 2HD LYS 29 -10.853 1.666 1.357 296 2HD LYS 29 1HD LYS 29 -10.135 1.752 2.965 297 1HE LYS 29 2HE LYS 29 -10.293 4.011 2.842 298 2HE LYS 29 1HE LYS 29 -9.109 3.981 1.522 299 1HZ LYS 29 2HZ LYS 29 -12.027 3.503 1.203 300 2HZ LYS 29 1HZ LYS 29 -11.241 4.963 0.834 301 3HZ LYS 29 3HZ LYS 29 -10.875 3.560 -0.044 302 QB LYS 29 QB LYS 29 -7.695 1.561 3.050 303 QG LYS 29 QG LYS 29 -8.628 1.318 0.798 304 QD LYS 29 QD LYS 29 -10.494 1.709 2.161 305 QE LYS 29 QE LYS 29 -9.701 3.996 2.182 306 QZ LYS 29 QZ LYS 29 -11.381 4.009 0.664 307 H ILE 30 H ILE 30 -5.257 0.696 3.656 308 HA ILE 30 HA ILE 30 -4.247 2.694 5.423 309 HB ILE 30 HB ILE 30 -3.313 -0.142 4.808 310 1HG1 ILE 30 2HG1 ILE 30 -5.087 0.815 7.067 311 2HG1 ILE 30 1HG1 ILE 30 -5.737 0.250 5.527 312 1HG2 ILE 30 1HG2 ILE 30 -1.703 1.378 6.129 313 2HG2 ILE 30 3HG2 ILE 30 -2.924 1.370 7.401 314 3HG2 ILE 30 2HG2 ILE 30 -2.167 -0.140 6.897 315 1HD1 ILE 30 1HD1 ILE 30 -3.704 -1.494 6.824 316 2HD1 ILE 30 3HD1 ILE 30 -5.286 -1.411 7.603 317 3HD1 ILE 30 2HD1 ILE 30 -5.156 -1.933 5.924 318 QG1 ILE 30 QG1 ILE 30 -5.412 0.533 6.297 319 QG2 ILE 30 QG2 ILE 30 -2.265 0.869 6.809 320 QD1 ILE 30 QD1 ILE 30 -4.715 -1.613 6.784 321 H PHE 31 H PHE 31 -2.889 1.113 2.583 322 HA PHE 31 HA PHE 31 -0.239 2.302 2.810 323 1HB PHE 31 2HB PHE 31 -1.836 0.728 0.801 324 2HB PHE 31 1HB PHE 31 -0.331 1.483 0.289 325 HD1 PHE 31 1HD PHE 31 1.431 1.237 2.579 326 HD2 PHE 31 2HD PHE 31 -1.466 -1.547 1.072 327 HE1 PHE 31 1HE PHE 31 2.700 -0.630 3.593 328 HE2 PHE 31 2HE PHE 31 -0.196 -3.415 2.092 329 1HZ PHE 31 HZ PHE 31 1.888 -2.959 3.352 330 QB PHE 31 QB PHE 31 -1.084 1.105 0.545 331 QG PHE 31 QD PHE 31 -0.017 -0.155 1.825 332 QZ PHE 31 QE PHE 31 1.252 -2.022 2.842 333 QZ PHE 31 QR PHE 31 0.871 -1.463 2.538 334 H LYS 32 H LYS 32 -3.222 3.019 1.017 335 HA LYS 32 HA LYS 32 -2.077 5.276 -0.392 336 1HB LYS 32 2HB LYS 32 -4.814 4.075 -0.068 337 2HB LYS 32 1HB LYS 32 -4.572 5.574 -0.962 338 1HG LYS 32 2HG LYS 32 -3.027 4.493 -2.485 339 2HG LYS 32 1HG LYS 32 -3.071 3.004 -1.542 340 1HD LYS 32 2HD LYS 32 -4.552 2.686 -3.411 341 2HD LYS 32 1HD LYS 32 -5.572 2.927 -1.991 342 1HE LYS 32 2HE LYS 32 -6.245 5.054 -2.669 343 2HE LYS 32 1HE LYS 32 -4.777 5.320 -3.630 344 1HZ LYS 32 1HZ LYS 32 -5.499 3.575 -5.145 345 2HZ LYS 32 3HZ LYS 32 -6.916 3.348 -4.242 346 3HZ LYS 32 2HZ LYS 32 -6.660 4.812 -5.064 347 QB LYS 32 QB LYS 32 -4.693 4.825 -0.515 348 QG LYS 32 QG LYS 32 -3.049 3.748 -2.013 349 QD LYS 32 QD LYS 32 -5.062 2.807 -2.701 350 QE LYS 32 QE LYS 32 -5.511 5.187 -3.149 351 QZ LYS 32 QZ LYS 32 -6.358 3.912 -4.817 352 H GLN 33 H GLN 33 -2.746 5.004 2.824 353 HA GLN 33 HA GLN 33 -3.821 7.817 3.040 354 1HB GLN 33 2HB GLN 33 -3.983 5.303 4.684 355 2HB GLN 33 1HB GLN 33 -4.063 6.857 5.510 356 1HG GLN 33 2HG GLN 33 -5.770 6.577 3.097 357 2HG GLN 33 1HG GLN 33 -6.248 5.621 4.501 358 1HE2 GLN 33 2HE2 GLN 33 -6.751 8.602 6.555 359 2HE2 GLN 33 1HE2 GLN 33 -6.064 7.055 6.675 360 QB GLN 33 QB GLN 33 -4.023 6.080 5.097 361 QG GLN 33 QG GLN 33 -6.009 6.099 3.799 362 QE2 GLN 33 QE2 GLN 33 -6.408 7.828 6.615 363 H TYR 34 H TYR 34 -1.598 5.424 4.247 364 HA TYR 34 HA TYR 34 0.177 6.898 5.867 365 1HB TYR 34 2HB TYR 34 0.234 4.536 5.793 366 2HB TYR 34 1HB TYR 34 0.173 4.507 4.027 367 HD1 TYR 34 1HD TYR 34 2.268 5.150 2.734 368 HD2 TYR 34 2HD TYR 34 2.298 4.582 6.992 369 HE1 TYR 34 1HE TYR 34 4.740 4.945 2.689 370 HE2 TYR 34 2HE TYR 34 4.770 4.378 6.947 371 HH TYR 34 HH TYR 34 6.519 3.824 4.193 372 QB TYR 34 QB TYR 34 0.203 4.522 4.910 373 QG TYR 34 QD TYR 34 2.283 4.866 4.863 374 QZ TYR 34 QE TYR 34 4.755 4.662 4.818 375 QR TYR 34 QR TYR 34 3.519 4.764 4.841 376 H ALA 35 H ALA 35 0.187 6.331 2.345 377 HA ALA 35 HA ALA 35 2.604 7.685 1.634 378 1HB ALA 35 2HB ALA 35 0.016 6.914 0.320 379 2HB ALA 35 1HB ALA 35 1.116 7.980 -0.553 380 3HB ALA 35 3HB ALA 35 1.655 6.377 -0.047 381 QB ALA 35 QB ALA 35 0.929 7.090 -0.093 382 H ASN 36 H ASN 36 -0.774 8.890 1.678 383 HA ASN 36 HA ASN 36 -0.289 11.554 0.845 384 1HB ASN 36 2HB ASN 36 -2.328 10.155 2.548 385 2HB ASN 36 1HB ASN 36 -2.406 11.906 2.354 386 1HD2 ASN 36 2HD2 ASN 36 -3.159 9.501 -0.889 387 2HD2 ASN 36 1HD2 ASN 36 -2.350 8.857 0.458 388 QB ASN 36 QB ASN 36 -2.367 11.030 2.451 389 QD2 ASN 36 QD2 ASN 36 -2.754 9.179 -0.216 390 H ASP 37 H ASP 37 -0.421 10.257 4.178 391 HA ASP 37 HA ASP 37 0.097 12.665 5.573 392 1HB ASP 37 2HB ASP 37 0.435 9.738 6.044 393 2HB ASP 37 1HB ASP 37 1.201 10.840 7.188 394 QB ASP 37 QB ASP 37 0.818 10.289 6.616 395 H ASN 38 H ASN 38 2.247 10.707 3.698 396 HA ASN 38 HA ASN 38 4.624 12.054 4.809 397 1HB ASN 38 2HB ASN 38 3.987 9.507 3.434 398 2HB ASN 38 1HB ASN 38 5.561 10.212 3.058 399 1HD2 ASN 38 2HD2 ASN 38 6.877 8.860 6.025 400 2HD2 ASN 38 1HD2 ASN 38 7.066 9.147 4.362 401 QB ASN 38 QB ASN 38 4.774 9.860 3.246 402 QD2 ASN 38 QD2 ASN 38 6.972 9.003 5.193 403 H GLY 39 H GLY 39 2.679 11.767 1.907 404 1HA GLY 39 2HA GLY 39 2.681 13.672 0.323 405 2HA GLY 39 1HA GLY 39 4.418 13.817 0.596 406 QA GLY 39 QA GLY 39 3.550 13.745 0.459 407 H ILE 40 H ILE 40 2.848 10.705 0.228 408 HA ILE 40 HA ILE 40 4.469 10.200 -2.212 409 HB ILE 40 HB ILE 40 3.210 8.672 0.023 410 1HG1 ILE 40 2HG1 ILE 40 5.428 7.495 -0.129 411 2HG1 ILE 40 1HG1 ILE 40 5.851 8.621 -1.424 412 1HG2 ILE 40 2HG2 ILE 40 2.336 7.552 -2.060 413 2HG2 ILE 40 1HG2 ILE 40 4.012 7.263 -2.528 414 3HG2 ILE 40 3HG2 ILE 40 3.366 6.536 -1.055 415 1HD1 ILE 40 3HD1 ILE 40 4.887 9.507 1.297 416 2HD1 ILE 40 2HD1 ILE 40 6.599 9.339 0.882 417 3HD1 ILE 40 1HD1 ILE 40 5.591 10.510 0.022 418 QG1 ILE 40 QG1 ILE 40 5.640 8.058 -0.777 419 QG2 ILE 40 QG2 ILE 40 3.238 7.117 -1.881 420 QD1 ILE 40 QD1 ILE 40 5.692 9.785 0.733 421 H ASP 41 H ASP 41 3.399 10.778 -4.039 422 HA ASP 41 HA ASP 41 0.675 9.679 -4.511 423 1HB ASP 41 2HB ASP 41 0.482 11.933 -3.432 424 2HB ASP 41 1HB ASP 41 1.360 12.618 -4.800 425 QB ASP 41 QB ASP 41 0.921 12.276 -4.116 426 H GLY 42 H GLY 42 1.094 8.548 -6.378 427 1HA GLY 42 2HA GLY 42 1.831 10.022 -8.788 428 2HA GLY 42 1HA GLY 42 3.042 8.839 -8.302 429 QA GLY 42 QA GLY 42 2.437 9.430 -8.545 430 H GLU 43 H GLU 43 2.604 6.632 -8.615 431 HA GLU 43 HA GLU 43 -0.026 5.992 -9.936 432 1HB GLU 43 2HB GLU 43 2.313 6.108 -11.188 433 2HB GLU 43 1HB GLU 43 2.503 4.493 -10.504 434 1HG GLU 43 2HG GLU 43 0.190 3.969 -11.458 435 2HG GLU 43 1HG GLU 43 0.335 5.472 -12.370 436 QB GLU 43 QB GLU 43 2.408 5.301 -10.846 437 QG GLU 43 QG GLU 43 0.262 4.720 -11.914 438 H TRP 44 H TRP 44 -1.173 4.373 -8.944 439 HA TRP 44 HA TRP 44 0.204 2.639 -6.900 440 1HB TRP 44 2HB TRP 44 -2.572 3.739 -7.324 441 2HB TRP 44 1HB TRP 44 -2.340 2.290 -6.338 442 HD1 TRP 44 HD TRP 44 -1.511 6.019 -6.423 443 HE1 TRP 44 1HE TRP 44 -0.721 6.721 -4.070 444 HE3 TRP 44 3HE TRP 44 -1.296 1.445 -4.194 445 HZ2 TRP 44 2HZ TRP 44 -0.070 5.490 -1.569 446 HZ3 TRP 44 3HZ TRP 44 -0.583 1.235 -1.822 447 HH2 TRP 44 HH TRP 44 0.038 3.252 -0.519 448 QB TRP 44 QB TRP 44 -2.456 3.014 -6.831 449 H THR 45 H THR 45 0.255 0.459 -7.221 450 HA THR 45 HA THR 45 -1.584 -0.793 -9.200 451 HB THR 45 HB THR 45 0.193 -1.745 -10.475 452 HG1 THR 45 1HG THR 45 2.356 -1.547 -9.801 453 1HG2 THR 45 3HG2 THR 45 -0.191 0.669 -10.926 454 2HG2 THR 45 2HG2 THR 45 1.100 1.058 -9.787 455 3HG2 THR 45 1HG2 THR 45 1.468 0.176 -11.272 456 QG2 THR 45 QG2 THR 45 0.792 0.634 -10.662 457 H TYR 46 H TYR 46 -2.270 -2.725 -8.410 458 HA TYR 46 HA TYR 46 -0.958 -3.775 -5.948 459 1HB TYR 46 2HB TYR 46 -3.326 -3.302 -5.797 460 2HB TYR 46 1HB TYR 46 -3.655 -4.213 -7.273 461 HD1 TYR 46 2HD TYR 46 -1.780 -4.818 -4.070 462 HD2 TYR 46 1HD TYR 46 -4.644 -6.292 -6.910 463 HE1 TYR 46 2HE TYR 46 -2.023 -6.896 -2.743 464 HE2 TYR 46 1HE TYR 46 -4.884 -8.374 -5.586 465 HH TYR 46 HH TYR 46 -3.299 -9.661 -3.878 466 QB TYR 46 QB TYR 46 -3.490 -3.757 -6.535 467 QG TYR 46 QD TYR 46 -3.212 -5.555 -5.490 468 QZ TYR 46 QE TYR 46 -3.453 -7.635 -4.165 469 QR TYR 46 QR TYR 46 -3.332 -6.595 -4.827 470 H ASP 47 H ASP 47 -0.063 -5.842 -5.905 471 HA ASP 47 HA ASP 47 0.075 -7.305 -8.518 472 1HB ASP 47 2HB ASP 47 1.913 -7.195 -6.103 473 2HB ASP 47 1HB ASP 47 2.194 -8.213 -7.515 474 QB ASP 47 QB ASP 47 2.053 -7.704 -6.809 475 H ASP 48 H ASP 48 -1.659 -8.743 -8.336 476 HA ASP 48 HA ASP 48 -2.421 -10.077 -5.888 477 1HB ASP 48 2HB ASP 48 -3.881 -11.356 -7.442 478 2HB ASP 48 1HB ASP 48 -3.951 -9.622 -7.753 479 QB ASP 48 QB ASP 48 -3.916 -10.489 -7.598 480 H ALA 49 H ALA 49 0.272 -10.604 -7.850 481 HA ALA 49 HA ALA 49 0.332 -13.540 -7.553 482 1HB ALA 49 3HB ALA 49 1.100 -12.118 -9.570 483 2HB ALA 49 2HB ALA 49 2.495 -11.689 -8.579 484 3HB ALA 49 1HB ALA 49 2.208 -13.373 -9.017 485 QB ALA 49 QB ALA 49 1.934 -12.394 -9.055 486 H THR 50 H THR 50 1.648 -10.635 -6.069 487 HA THR 50 HA THR 50 3.068 -12.362 -4.073 488 HB THR 50 HB THR 50 4.846 -10.618 -4.086 489 HG1 THR 50 1HG THR 50 4.736 -8.977 -5.558 490 1HG2 THR 50 3HG2 THR 50 4.709 -12.663 -5.701 491 2HG2 THR 50 2HG2 THR 50 4.395 -11.447 -6.939 492 3HG2 THR 50 1HG2 THR 50 5.903 -11.405 -6.023 493 QG2 THR 50 QG2 THR 50 5.002 -11.838 -6.221 494 H LYS 51 H LYS 51 0.493 -10.383 -4.464 495 HA LYS 51 HA LYS 51 -0.747 -8.976 -3.035 496 1HB LYS 51 2HB LYS 51 1.020 -10.410 -1.022 497 2HB LYS 51 1HB LYS 51 -0.469 -9.553 -0.633 498 1HG LYS 51 2HG LYS 51 -0.718 -11.549 -2.804 499 2HG LYS 51 1HG LYS 51 -0.351 -12.222 -1.217 500 1HD LYS 51 2HD LYS 51 -2.255 -10.805 -0.302 501 2HD LYS 51 1HD LYS 51 -2.695 -10.465 -1.976 502 1HE LYS 51 2HE LYS 51 -4.012 -12.351 -1.579 503 2HE LYS 51 1HE LYS 51 -2.533 -13.134 -2.171 504 1HZ LYS 51 2HZ LYS 51 -1.731 -13.233 0.121 505 2HZ LYS 51 1HZ LYS 51 -3.191 -12.561 0.671 506 3HZ LYS 51 3HZ LYS 51 -3.185 -14.092 -0.058 507 QB LYS 51 QB LYS 51 0.275 -9.981 -0.828 508 QG LYS 51 QG LYS 51 -0.534 -11.885 -2.011 509 QD LYS 51 QD LYS 51 -2.475 -10.635 -1.139 510 QE LYS 51 QE LYS 51 -3.273 -12.742 -1.875 511 QZ LYS 51 QZ LYS 51 -2.702 -13.295 0.244 512 H THR 52 H THR 52 1.498 -7.752 -4.254 513 HA THR 52 HA THR 52 2.405 -5.880 -2.078 514 HB THR 52 HB THR 52 3.892 -6.766 -4.570 515 HG1 THR 52 1HG THR 52 4.111 -8.480 -3.358 516 1HG2 THR 52 2HG2 THR 52 4.742 -5.169 -2.139 517 2HG2 THR 52 1HG2 THR 52 5.824 -5.710 -3.423 518 3HG2 THR 52 3HG2 THR 52 4.549 -4.545 -3.777 519 QG2 THR 52 QG2 THR 52 5.038 -5.141 -3.113 520 H PHE 53 H PHE 53 1.860 -3.765 -2.443 521 HA PHE 53 HA PHE 53 0.585 -3.011 -4.990 522 1HB PHE 53 2HB PHE 53 1.056 -1.661 -2.321 523 2HB PHE 53 1HB PHE 53 0.211 -0.874 -3.655 524 HD1 PHE 53 1HD PHE 53 0.116 -3.723 -1.278 525 HD2 PHE 53 2HD PHE 53 -2.049 -1.498 -4.257 526 HE1 PHE 53 1HE PHE 53 -1.981 -4.886 -0.627 527 HE2 PHE 53 2HE PHE 53 -4.132 -2.668 -3.606 528 1HZ PHE 53 HZ PHE 53 -4.100 -4.360 -1.795 529 QB PHE 53 QB PHE 53 0.633 -1.268 -2.988 530 QG PHE 53 QD PHE 53 -0.966 -2.611 -2.767 531 QZ PHE 53 QE PHE 53 -3.056 -3.777 -2.116 532 QZ PHE 53 QR PHE 53 -2.429 -3.427 -2.313 533 H THR 54 H THR 54 1.317 -0.407 -5.482 534 HA THR 54 HA THR 54 4.235 -0.070 -5.300 535 HB THR 54 HB THR 54 3.134 -0.080 -8.082 536 HG1 THR 54 1HG THR 54 3.413 -2.299 -8.247 537 1HG2 THR 54 1HG2 THR 54 5.730 -0.471 -6.678 538 2HG2 THR 54 3HG2 THR 54 5.511 -1.297 -8.220 539 3HG2 THR 54 2HG2 THR 54 5.365 0.458 -8.132 540 QG2 THR 54 QG2 THR 54 5.535 -0.436 -7.677 541 H VAL 55 H VAL 55 3.834 1.948 -4.411 542 HA VAL 55 HA VAL 55 2.027 3.785 -5.898 543 HB VAL 55 HB VAL 55 1.476 3.548 -3.585 544 1HG1 VAL 55 2HG1 VAL 55 4.406 4.070 -3.028 545 2HG1 VAL 55 1HG1 VAL 55 3.153 4.117 -1.791 546 3HG1 VAL 55 3HG1 VAL 55 3.473 2.614 -2.655 547 1HG2 VAL 55 2HG2 VAL 55 1.429 5.866 -4.488 548 2HG2 VAL 55 1HG2 VAL 55 1.718 5.825 -2.749 549 3HG2 VAL 55 3HG2 VAL 55 3.055 6.118 -3.859 550 QG1 VAL 55 QG1 VAL 55 3.677 3.600 -2.491 551 QG2 VAL 55 QG2 VAL 55 2.067 5.936 -3.699 552 QQG VAL 55 QQG VAL 55 2.872 4.768 -3.095 553 H THR 56 H THR 56 3.192 4.666 -7.531 554 HA THR 56 HA THR 56 5.952 5.598 -7.183 555 HB THR 56 HB THR 56 3.882 5.286 -9.316 556 HG1 THR 56 1HG THR 56 5.298 3.801 -9.634 557 1HG2 THR 56 1HG2 THR 56 6.199 7.216 -9.653 558 2HG2 THR 56 3HG2 THR 56 5.139 6.649 -10.945 559 3HG2 THR 56 2HG2 THR 56 4.488 7.649 -9.645 560 QG2 THR 56 QG2 THR 56 5.275 7.171 -10.081 561 H GLU 57 H GLU 57 6.337 8.018 -7.852 562 HA GLU 57 HA GLU 57 4.223 9.742 -6.593 563 1HB GLU 57 2HB GLU 57 6.386 9.211 -5.299 564 2HB GLU 57 1HB GLU 57 7.216 10.195 -6.506 565 1HG GLU 57 2HG GLU 57 5.190 11.873 -5.878 566 2HG GLU 57 1HG GLU 57 5.358 11.024 -4.340 567 QB GLU 57 QB GLU 57 6.801 9.703 -5.903 568 QG GLU 57 QG GLU 57 5.274 11.449 -5.109 No H/Q in entry = 568 Start of MODEL 9 1 1H MET 1 2HT MET 1 -0.254 -16.323 5.673 2 2H MET 1 1HT MET 1 -0.691 -16.725 7.265 3 3H MET 1 3HT MET 1 -1.880 -16.238 6.158 4 HA MET 1 HA MET 1 -1.433 -14.392 7.607 5 1HB MET 1 2HB MET 1 1.319 -15.395 7.030 6 2HB MET 1 1HB MET 1 1.140 -13.664 7.317 7 1HG MET 1 2HG MET 1 -0.133 -14.235 9.424 8 2HG MET 1 1HG MET 1 0.320 -15.919 9.165 9 1HE MET 1 3HE MET 1 1.150 -16.333 10.993 10 2HE MET 1 2HE MET 1 2.902 -16.404 11.150 11 3HE MET 1 1HE MET 1 1.992 -15.203 12.062 12 QB MET 1 QB MET 1 1.229 -14.529 7.173 13 QG MET 1 QG MET 1 0.094 -15.077 9.295 14 QE MET 1 QE MET 1 2.014 -15.980 11.402 15 H THR 2 H THR 2 -1.963 -12.480 6.596 16 HA THR 2 HA THR 2 -1.657 -12.279 3.675 17 HB THR 2 HB THR 2 -2.918 -10.470 5.765 18 HG1 THR 2 1HG THR 2 -3.894 -12.492 5.647 19 1HG2 THR 2 2HG2 THR 2 -2.662 -10.344 2.808 20 2HG2 THR 2 1HG2 THR 2 -4.246 -9.952 3.476 21 3HG2 THR 2 3HG2 THR 2 -2.825 -9.035 3.977 22 QG2 THR 2 QG2 THR 2 -3.244 -9.777 3.420 23 H THR 3 H THR 3 -1.149 -9.752 6.160 24 HA THR 3 HA THR 3 0.467 -8.035 6.279 25 HB THR 3 HB THR 3 2.155 -10.357 5.292 26 HG1 THR 3 1HG THR 3 1.531 -11.147 7.125 27 1HG2 THR 3 2HG2 THR 3 2.811 -7.629 6.011 28 2HG2 THR 3 1HG2 THR 3 3.544 -8.754 7.156 29 3HG2 THR 3 3HG2 THR 3 3.875 -8.912 5.431 30 QG2 THR 3 QG2 THR 3 3.410 -8.432 6.199 31 H PHE 4 H PHE 4 -0.735 -7.119 4.282 32 HA PHE 4 HA PHE 4 0.375 -7.425 1.635 33 1HB PHE 4 2HB PHE 4 -1.473 -5.577 3.091 34 2HB PHE 4 1HB PHE 4 -0.870 -5.063 1.515 35 HD1 PHE 4 2HD PHE 4 -1.006 -6.828 -0.406 36 HD2 PHE 4 1HD PHE 4 -3.319 -7.023 3.205 37 HE1 PHE 4 2HE PHE 4 -2.615 -8.347 -1.520 38 HE2 PHE 4 1HE PHE 4 -4.930 -8.541 2.089 39 1HZ PHE 4 HZ PHE 4 -4.578 -9.204 -0.273 40 QB PHE 4 QB PHE 4 -1.172 -5.320 2.303 41 QG PHE 4 QD PHE 4 -2.163 -6.925 1.399 42 QZ PHE 4 QE PHE 4 -3.773 -8.444 0.284 43 QZ PHE 4 QR PHE 4 -3.290 -7.988 0.619 44 H LYS 5 H LYS 5 2.026 -6.275 0.633 45 HA LYS 5 HA LYS 5 3.609 -4.421 2.367 46 1HB LYS 5 2HB LYS 5 4.300 -6.076 -0.082 47 2HB LYS 5 1HB LYS 5 5.440 -5.044 0.780 48 1HG LYS 5 2HG LYS 5 5.888 -6.936 1.970 49 2HG LYS 5 1HG LYS 5 4.421 -6.506 2.849 50 1HD LYS 5 2HD LYS 5 3.085 -7.920 1.348 51 2HD LYS 5 1HD LYS 5 4.533 -8.326 0.424 52 1HE LYS 5 2HE LYS 5 4.623 -8.805 3.375 53 2HE LYS 5 1HE LYS 5 3.664 -9.925 2.387 54 1HZ LYS 5 2HZ LYS 5 5.563 -10.137 0.882 55 2HZ LYS 5 1HZ LYS 5 6.486 -9.132 1.892 56 3HZ LYS 5 3HZ LYS 5 5.964 -10.644 2.453 57 QB LYS 5 QB LYS 5 4.870 -5.560 0.349 58 QG LYS 5 QG LYS 5 5.155 -6.721 2.409 59 QD LYS 5 QD LYS 5 3.809 -8.123 0.886 60 QE LYS 5 QE LYS 5 4.144 -9.365 2.881 61 QZ LYS 5 QZ LYS 5 6.004 -9.971 1.742 62 H LEU 6 H LEU 6 4.957 -2.872 0.784 63 HA LEU 6 HA LEU 6 3.419 -1.853 -1.510 64 1HB LEU 6 2HB LEU 6 2.207 -0.953 0.432 65 2HB LEU 6 1HB LEU 6 3.711 -0.332 1.107 66 HG LEU 6 HG LEU 6 3.905 0.964 -1.159 67 1HD1 LEU 6 2HD1 LEU 6 1.024 0.080 -1.100 68 2HD1 LEU 6 1HD1 LEU 6 1.500 1.580 -1.897 69 3HD1 LEU 6 3HD1 LEU 6 2.160 0.041 -2.448 70 1HD2 LEU 6 1HD2 LEU 6 3.202 1.721 1.297 71 2HD2 LEU 6 3HD2 LEU 6 3.074 2.828 -0.070 72 3HD2 LEU 6 2HD2 LEU 6 1.643 1.978 0.514 73 QB LEU 6 QB LEU 6 2.959 -0.643 0.769 74 QD1 LEU 6 QD1 LEU 6 1.562 0.567 -1.815 75 QD2 LEU 6 QD2 LEU 6 2.640 2.176 0.580 76 QQD LEU 6 QQD LEU 6 2.101 1.372 -0.617 77 H ILE 7 H ILE 7 5.187 -1.676 -2.873 78 HA ILE 7 HA ILE 7 7.808 -0.768 -1.867 79 HB ILE 7 HB ILE 7 6.774 -1.429 -4.651 80 1HG1 ILE 7 2HG1 ILE 7 8.411 -3.125 -2.738 81 2HG1 ILE 7 1HG1 ILE 7 6.672 -3.307 -2.977 82 1HG2 ILE 7 1HG2 ILE 7 9.427 -0.637 -3.541 83 2HG2 ILE 7 3HG2 ILE 7 9.413 -1.902 -4.771 84 3HG2 ILE 7 2HG2 ILE 7 8.734 -0.314 -5.130 85 1HD1 ILE 7 1HD1 ILE 7 8.705 -3.482 -5.217 86 2HD1 ILE 7 3HD1 ILE 7 8.064 -4.885 -4.363 87 3HD1 ILE 7 2HD1 ILE 7 6.985 -3.860 -5.310 88 QG1 ILE 7 QG1 ILE 7 7.541 -3.216 -2.857 89 QG2 ILE 7 QG2 ILE 7 9.191 -0.951 -4.481 90 QD1 ILE 7 QD1 ILE 7 7.918 -4.076 -4.964 91 H ILE 8 H ILE 8 8.307 1.407 -1.816 92 HA ILE 8 HA ILE 8 6.484 3.240 -3.267 93 HB ILE 8 HB ILE 8 8.663 4.179 -1.434 94 1HG1 ILE 8 2HG1 ILE 8 7.320 2.215 -0.339 95 2HG1 ILE 8 1HG1 ILE 8 7.490 3.708 0.560 96 1HG2 ILE 8 3HG2 ILE 8 6.051 5.121 -2.510 97 2HG2 ILE 8 2HG2 ILE 8 6.484 5.655 -0.885 98 3HG2 ILE 8 1HG2 ILE 8 7.554 6.012 -2.242 99 1HD1 ILE 8 1HD1 ILE 8 5.112 3.456 -1.211 100 2HD1 ILE 8 3HD1 ILE 8 5.128 2.483 0.257 101 3HD1 ILE 8 2HD1 ILE 8 5.266 4.240 0.361 102 QG1 ILE 8 QG1 ILE 8 7.405 2.961 0.110 103 QG2 ILE 8 QG2 ILE 8 6.696 5.596 -1.879 104 QD1 ILE 8 QD1 ILE 8 5.168 3.393 -0.198 105 H ASN 9 H ASN 9 7.163 3.853 -5.278 106 HA ASN 9 HA ASN 9 10.055 3.824 -5.953 107 1HB ASN 9 2HB ASN 9 8.459 2.750 -7.453 108 2HB ASN 9 1HB ASN 9 7.486 4.213 -7.519 109 1HD2 ASN 9 2HD2 ASN 9 9.264 5.361 -10.323 110 2HD2 ASN 9 1HD2 ASN 9 7.780 5.238 -9.503 111 QB ASN 9 QB ASN 9 7.973 3.481 -7.486 112 QD2 ASN 9 QD2 ASN 9 8.522 5.299 -9.913 113 H GLY 10 H GLY 10 11.103 5.740 -6.788 114 1HA GLY 10 2HA GLY 10 10.886 8.138 -7.463 115 2HA GLY 10 1HA GLY 10 9.679 8.305 -6.187 116 QA GLY 10 QA GLY 10 10.282 8.222 -6.825 117 H LYS 11 H LYS 11 10.913 9.971 -5.154 118 HA LYS 11 HA LYS 11 13.461 9.037 -3.873 119 1HB LYS 11 2HB LYS 11 14.020 11.465 -3.836 120 2HB LYS 11 1HB LYS 11 13.720 10.880 -5.471 121 1HG LYS 11 2HG LYS 11 11.573 11.887 -5.558 122 2HG LYS 11 1HG LYS 11 11.526 12.125 -3.812 123 1HD LYS 11 2HD LYS 11 13.464 13.704 -4.032 124 2HD LYS 11 1HD LYS 11 13.328 13.552 -5.784 125 1HE LYS 11 2HE LYS 11 10.715 14.130 -4.684 126 2HE LYS 11 1HE LYS 11 11.885 15.336 -4.114 127 1HZ LYS 11 1HZ LYS 11 12.706 15.496 -6.427 128 2HZ LYS 11 3HZ LYS 11 11.438 14.485 -6.925 129 3HZ LYS 11 2HZ LYS 11 11.094 16.009 -6.258 130 QB LYS 11 QB LYS 11 13.870 11.173 -4.654 131 QG LYS 11 QG LYS 11 11.549 12.006 -4.685 132 QD LYS 11 QD LYS 11 13.396 13.628 -4.908 133 QE LYS 11 QE LYS 11 11.300 14.733 -4.399 134 QZ LYS 11 QZ LYS 11 11.746 15.330 -6.537 135 H THR 12 H THR 12 10.271 10.396 -3.324 136 HA THR 12 HA THR 12 10.569 11.454 -0.700 137 HB THR 12 HB THR 12 8.163 9.922 -1.699 138 HG1 THR 12 1HG THR 12 8.086 11.222 -3.321 139 1HG2 THR 12 3HG2 THR 12 8.593 12.390 0.000 140 2HG2 THR 12 2HG2 THR 12 7.011 11.888 -0.598 141 3HG2 THR 12 1HG2 THR 12 7.907 10.846 0.508 142 QG2 THR 12 QG2 THR 12 7.837 11.708 -0.030 143 H LEU 13 H LEU 13 9.273 8.221 -1.557 144 HA LEU 13 HA LEU 13 10.325 7.212 1.069 145 1HB LEU 13 2HB LEU 13 7.721 7.123 -0.288 146 2HB LEU 13 1HB LEU 13 8.264 5.535 0.250 147 HG LEU 13 HG LEU 13 8.097 8.010 1.995 148 1HD1 LEU 13 3HD1 LEU 13 6.234 5.758 1.384 149 2HD1 LEU 13 2HD1 LEU 13 6.357 6.257 3.074 150 3HD1 LEU 13 1HD1 LEU 13 5.875 7.425 1.845 151 1HD2 LEU 13 1HD2 LEU 13 9.223 5.277 2.340 152 2HD2 LEU 13 3HD2 LEU 13 9.675 6.787 3.133 153 3HD2 LEU 13 2HD2 LEU 13 8.258 5.890 3.683 154 QB LEU 13 QB LEU 13 7.992 6.329 -0.019 155 QD1 LEU 13 QD1 LEU 13 6.155 6.480 2.101 156 QD2 LEU 13 QD2 LEU 13 9.052 5.984 3.052 157 QQD LEU 13 QQD LEU 13 7.604 6.232 2.577 158 H LYS 14 H LYS 14 10.529 4.695 0.928 159 HA LYS 14 HA LYS 14 10.986 3.404 -1.579 160 1HB LYS 14 2HB LYS 14 13.485 3.371 -1.465 161 2HB LYS 14 1HB LYS 14 12.849 4.999 -1.693 162 1HG LYS 14 2HG LYS 14 12.897 4.813 1.047 163 2HG LYS 14 1HG LYS 14 14.306 3.852 0.605 164 1HD LYS 14 2HD LYS 14 15.075 6.112 0.832 165 2HD LYS 14 1HD LYS 14 15.005 5.780 -0.900 166 1HE LYS 14 2HE LYS 14 12.892 6.952 -1.110 167 2HE LYS 14 1HE LYS 14 12.775 7.142 0.650 168 1HZ LYS 14 1HZ LYS 14 15.060 8.141 -0.961 169 2HZ LYS 14 3HZ LYS 14 13.735 9.106 -0.529 170 3HZ LYS 14 2HZ LYS 14 14.738 8.457 0.678 171 QB LYS 14 QB LYS 14 13.167 4.185 -1.579 172 QG LYS 14 QG LYS 14 13.601 4.333 0.826 173 QD LYS 14 QD LYS 14 15.040 5.946 -0.034 174 QE LYS 14 QE LYS 14 12.833 7.047 -0.230 175 QZ LYS 14 QZ LYS 14 14.511 8.568 -0.271 176 H GLY 15 H GLY 15 9.646 2.027 -0.042 177 1HA GLY 15 2HA GLY 15 11.361 -0.001 1.176 178 2HA GLY 15 1HA GLY 15 10.423 0.908 2.361 179 QA GLY 15 QA GLY 15 10.892 0.454 1.769 180 H GLU 16 H GLU 16 9.689 -1.530 2.535 181 HA GLU 16 HA GLU 16 7.434 -2.049 0.635 182 1HB GLU 16 2HB GLU 16 9.019 -3.807 2.535 183 2HB GLU 16 1HB GLU 16 7.679 -4.380 1.541 184 1HG GLU 16 2HG GLU 16 8.851 -3.951 -0.481 185 2HG GLU 16 1HG GLU 16 10.055 -2.955 0.338 186 QB GLU 16 QB GLU 16 8.349 -4.094 2.038 187 QG GLU 16 QG GLU 16 9.453 -3.453 -0.071 188 H ILE 17 H ILE 17 8.269 -1.531 4.008 189 HA ILE 17 HA ILE 17 6.955 -1.060 5.895 190 HB ILE 17 HB ILE 17 4.678 -0.925 3.890 191 1HG1 ILE 17 2HG1 ILE 17 5.847 1.612 4.773 192 2HG1 ILE 17 1HG1 ILE 17 7.023 0.620 3.914 193 1HG2 ILE 17 1HG2 ILE 17 5.095 0.174 6.676 194 2HG2 ILE 17 3HG2 ILE 17 3.809 0.725 5.602 195 3HG2 ILE 17 2HG2 ILE 17 3.850 -0.953 6.142 196 1HD1 ILE 17 3HD1 ILE 17 4.280 0.857 2.749 197 2HD1 ILE 17 2HD1 ILE 17 5.368 2.238 2.600 198 3HD1 ILE 17 1HD1 ILE 17 5.834 0.673 1.934 199 QG1 ILE 17 QG1 ILE 17 6.435 1.116 4.343 200 QG2 ILE 17 QG2 ILE 17 4.251 -0.018 6.140 201 QD1 ILE 17 QD1 ILE 17 5.161 1.256 2.428 202 H THR 18 H THR 18 4.871 -3.090 3.779 203 HA THR 18 HA THR 18 3.797 -5.135 4.189 204 HB THR 18 HB THR 18 5.059 -6.774 5.283 205 HG1 THR 18 1HG THR 18 6.309 -4.821 6.890 206 1HG2 THR 18 3HG2 THR 18 6.399 -5.291 3.564 207 2HG2 THR 18 2HG2 THR 18 7.334 -4.845 4.992 208 3HG2 THR 18 1HG2 THR 18 7.229 -6.536 4.499 209 QG2 THR 18 QG2 THR 18 6.987 -5.557 4.351 210 H ILE 19 H ILE 19 1.825 -5.139 5.083 211 HA ILE 19 HA ILE 19 1.525 -4.765 8.016 212 HB ILE 19 HB ILE 19 -0.224 -3.037 7.626 213 1HG1 ILE 19 2HG1 ILE 19 0.215 -2.047 5.106 214 2HG1 ILE 19 1HG1 ILE 19 0.347 -3.782 4.815 215 1HG2 ILE 19 2HG2 ILE 19 2.236 -2.493 7.986 216 2HG2 ILE 19 1HG2 ILE 19 2.351 -2.260 6.241 217 3HG2 ILE 19 3HG2 ILE 19 1.287 -1.230 7.200 218 1HD1 ILE 19 3HD1 ILE 19 -1.855 -3.753 6.389 219 2HD1 ILE 19 2HD1 ILE 19 -2.015 -2.170 5.625 220 3HD1 ILE 19 1HD1 ILE 19 -1.931 -3.626 4.630 221 QG1 ILE 19 QG1 ILE 19 0.281 -2.914 4.961 222 QG2 ILE 19 QG2 ILE 19 1.958 -1.994 7.143 223 QD1 ILE 19 QD1 ILE 19 -1.933 -3.183 5.548 224 H GLU 20 H GLU 20 -0.042 -6.141 8.793 225 HA GLU 20 HA GLU 20 -1.424 -7.948 6.959 226 1HB GLU 20 2HB GLU 20 -1.432 -7.497 9.958 227 2HB GLU 20 1HB GLU 20 -2.335 -8.796 9.178 228 1HG GLU 20 2HG GLU 20 -0.343 -9.819 8.351 229 2HG GLU 20 1HG GLU 20 0.631 -8.401 8.744 230 QB GLU 20 QB GLU 20 -1.883 -8.147 9.568 231 QG GLU 20 QG GLU 20 0.144 -9.110 8.548 232 H ALA 21 H ALA 21 -3.661 -7.992 6.524 233 HA ALA 21 HA ALA 21 -5.482 -6.065 7.816 234 1HB ALA 21 1HB ALA 21 -4.571 -5.886 4.929 235 2HB ALA 21 3HB ALA 21 -5.995 -5.046 5.546 236 3HB ALA 21 2HB ALA 21 -4.396 -4.656 6.181 237 QB ALA 21 QB ALA 21 -4.987 -5.196 5.552 238 H VAL 22 H VAL 22 -7.736 -6.358 6.936 239 HA VAL 22 HA VAL 22 -8.566 -9.039 6.838 240 HB VAL 22 HB VAL 22 -9.989 -7.099 7.366 241 1HG1 VAL 22 3HG1 VAL 22 -8.896 -5.727 5.442 242 2HG1 VAL 22 2HG1 VAL 22 -10.127 -6.471 4.422 243 3HG1 VAL 22 1HG1 VAL 22 -10.606 -5.465 5.788 244 1HG2 VAL 22 1HG2 VAL 22 -10.845 -9.332 6.239 245 2HG2 VAL 22 3HG2 VAL 22 -11.952 -7.982 6.482 246 3HG2 VAL 22 2HG2 VAL 22 -11.234 -8.260 4.894 247 QG1 VAL 22 QG1 VAL 22 -9.876 -5.887 5.218 248 QG2 VAL 22 QG2 VAL 22 -11.344 -8.525 5.872 249 QQG VAL 22 QQG VAL 22 -10.610 -7.206 5.545 250 H ASP 23 H ASP 23 -7.835 -6.825 4.160 251 HA ASP 23 HA ASP 23 -7.293 -9.073 2.353 252 1HB ASP 23 2HB ASP 23 -9.060 -8.360 0.738 253 2HB ASP 23 1HB ASP 23 -9.743 -8.917 2.263 254 QB ASP 23 QB ASP 23 -9.401 -8.638 1.501 255 H ALA 24 H ALA 24 -6.841 -8.012 0.037 256 HA ALA 24 HA ALA 24 -4.756 -6.079 0.364 257 1HB ALA 24 2HB ALA 24 -5.478 -7.808 -1.555 258 2HB ALA 24 1HB ALA 24 -6.202 -6.354 -2.240 259 3HB ALA 24 3HB ALA 24 -4.470 -6.403 -1.907 260 QB ALA 24 QB ALA 24 -5.383 -6.855 -1.901 261 H ALA 25 H ALA 25 -8.207 -5.764 -0.275 262 HA ALA 25 HA ALA 25 -8.378 -3.131 -1.262 263 1HB ALA 25 2HB ALA 25 -10.065 -5.094 0.137 264 2HB ALA 25 1HB ALA 25 -10.560 -3.423 0.410 265 3HB ALA 25 3HB ALA 25 -10.460 -4.056 -1.234 266 QB ALA 25 QB ALA 25 -10.361 -4.191 -0.229 267 H GLU 26 H GLU 26 -8.525 -4.215 2.148 268 HA GLU 26 HA GLU 26 -8.532 -1.585 3.310 269 1HB GLU 26 2HB GLU 26 -8.237 -4.406 4.114 270 2HB GLU 26 1HB GLU 26 -7.363 -3.288 5.161 271 1HG GLU 26 2HG GLU 26 -10.284 -2.991 4.402 272 2HG GLU 26 1HG GLU 26 -9.713 -3.687 5.918 273 QB GLU 26 QB GLU 26 -7.800 -3.847 4.637 274 QG GLU 26 QG GLU 26 -9.998 -3.339 5.160 275 H ALA 27 H ALA 27 -5.923 -3.899 2.577 276 HA ALA 27 HA ALA 27 -3.712 -2.479 3.653 277 1HB ALA 27 1HB ALA 27 -4.204 -4.462 1.471 278 2HB ALA 27 3HB ALA 27 -2.627 -3.666 1.502 279 3HB ALA 27 2HB ALA 27 -3.176 -4.599 2.898 280 QB ALA 27 QB ALA 27 -3.336 -4.242 1.957 281 H GLU 28 H GLU 28 -5.110 -2.318 0.353 282 HA GLU 28 HA GLU 28 -3.387 -0.302 -0.693 283 1HB GLU 28 2HB GLU 28 -5.212 -1.829 -1.784 284 2HB GLU 28 1HB GLU 28 -6.320 -0.523 -1.365 285 1HG GLU 28 2HG GLU 28 -4.704 1.063 -2.542 286 2HG GLU 28 1HG GLU 28 -3.889 -0.369 -3.175 287 QB GLU 28 QB GLU 28 -5.766 -1.176 -1.574 288 QG GLU 28 QG GLU 28 -4.296 0.347 -2.858 289 H LYS 29 H LYS 29 -6.379 -0.081 1.230 290 HA LYS 29 HA LYS 29 -6.662 2.793 1.069 291 1HB LYS 29 2HB LYS 29 -7.558 0.684 3.060 292 2HB LYS 29 1HB LYS 29 -8.091 2.363 3.122 293 1HG LYS 29 2HG LYS 29 -8.474 1.545 0.441 294 2HG LYS 29 1HG LYS 29 -9.051 0.208 1.435 295 1HD LYS 29 2HD LYS 29 -10.962 1.519 1.355 296 2HD LYS 29 1HD LYS 29 -10.202 2.163 2.811 297 1HE LYS 29 2HE LYS 29 -8.999 3.694 0.879 298 2HE LYS 29 1HE LYS 29 -10.619 3.463 0.191 299 1HZ LYS 29 3HZ LYS 29 -11.559 4.060 2.357 300 2HZ LYS 29 2HZ LYS 29 -9.997 4.366 2.954 301 3HZ LYS 29 1HZ LYS 29 -10.637 5.329 1.708 302 QB LYS 29 QB LYS 29 -7.825 1.524 3.091 303 QG LYS 29 QG LYS 29 -8.762 0.876 0.938 304 QD LYS 29 QD LYS 29 -10.582 1.841 2.083 305 QE LYS 29 QE LYS 29 -9.809 3.578 0.535 306 QZ LYS 29 QZ LYS 29 -10.731 4.585 2.340 307 H ILE 30 H ILE 30 -5.343 0.653 3.620 308 HA ILE 30 HA ILE 30 -4.338 2.669 5.365 309 HB ILE 30 HB ILE 30 -3.354 -0.142 4.729 310 1HG1 ILE 30 2HG1 ILE 30 -5.081 0.760 7.043 311 2HG1 ILE 30 1HG1 ILE 30 -5.778 0.238 5.510 312 1HG2 ILE 30 3HG2 ILE 30 -2.728 1.770 6.989 313 2HG2 ILE 30 2HG2 ILE 30 -2.534 0.025 7.165 314 3HG2 ILE 30 1HG2 ILE 30 -1.597 0.899 5.954 315 1HD1 ILE 30 1HD1 ILE 30 -3.755 -1.647 6.400 316 2HD1 ILE 30 3HD1 ILE 30 -4.984 -1.412 7.644 317 3HD1 ILE 30 2HD1 ILE 30 -5.455 -1.931 6.028 318 QG1 ILE 30 QG1 ILE 30 -5.429 0.499 6.276 319 QG2 ILE 30 QG2 ILE 30 -2.286 0.898 6.703 320 QD1 ILE 30 QD1 ILE 30 -4.731 -1.663 6.691 321 H PHE 31 H PHE 31 -2.882 1.042 2.567 322 HA PHE 31 HA PHE 31 -0.302 2.362 2.760 323 1HB PHE 31 2HB PHE 31 -1.835 0.721 0.753 324 2HB PHE 31 1HB PHE 31 -0.348 1.524 0.250 325 HD1 PHE 31 1HD PHE 31 1.458 1.353 2.442 326 HD2 PHE 31 2HD PHE 31 -1.456 -1.535 1.168 327 HE1 PHE 31 1HE PHE 31 2.790 -0.454 3.493 328 HE2 PHE 31 2HE PHE 31 -0.124 -3.343 2.222 329 1HZ PHE 31 HZ PHE 31 2.000 -2.801 3.384 330 QB PHE 31 QB PHE 31 -1.092 1.123 0.501 331 QG PHE 31 QD PHE 31 0.001 -0.091 1.805 332 QZ PHE 31 QE PHE 31 1.333 -1.898 2.858 333 QZ PHE 31 QR PHE 31 0.933 -1.356 2.542 334 H LYS 32 H LYS 32 -3.308 2.969 0.956 335 HA LYS 32 HA LYS 32 -2.290 5.200 -0.556 336 1HB LYS 32 2HB LYS 32 -4.995 4.041 0.061 337 2HB LYS 32 1HB LYS 32 -4.840 5.527 -0.871 338 1HG LYS 32 2HG LYS 32 -3.022 3.404 -1.789 339 2HG LYS 32 1HG LYS 32 -4.724 2.967 -1.921 340 1HD LYS 32 2HD LYS 32 -5.038 5.311 -2.985 341 2HD LYS 32 1HD LYS 32 -3.287 5.290 -3.197 342 1HE LYS 32 2HE LYS 32 -4.018 4.334 -5.217 343 2HE LYS 32 1HE LYS 32 -3.760 2.886 -4.223 344 1HZ LYS 32 2HZ LYS 32 -6.331 4.369 -4.369 345 2HZ LYS 32 1HZ LYS 32 -5.991 2.973 -5.278 346 3HZ LYS 32 3HZ LYS 32 -6.048 2.887 -3.585 347 QB LYS 32 QB LYS 32 -4.918 4.784 -0.405 348 QG LYS 32 QG LYS 32 -3.873 3.186 -1.855 349 QD LYS 32 QD LYS 32 -4.163 5.300 -3.091 350 QE LYS 32 QE LYS 32 -3.889 3.610 -4.720 351 QZ LYS 32 QZ LYS 32 -6.123 3.410 -4.411 352 H GLN 33 H GLN 33 -2.926 4.973 2.742 353 HA GLN 33 HA GLN 33 -3.768 7.865 2.929 354 1HB GLN 33 2HB GLN 33 -3.881 5.474 4.807 355 2HB GLN 33 1HB GLN 33 -4.215 7.121 5.345 356 1HG GLN 33 2HG GLN 33 -6.043 7.314 3.733 357 2HG GLN 33 1HG GLN 33 -5.685 5.707 3.103 358 1HE2 GLN 33 2HE2 GLN 33 -8.393 5.643 5.813 359 2HE2 GLN 33 1HE2 GLN 33 -8.189 6.676 4.481 360 QB GLN 33 QB GLN 33 -4.048 6.297 5.076 361 QG GLN 33 QG GLN 33 -5.864 6.511 3.418 362 QE2 GLN 33 QE2 GLN 33 -8.291 6.160 5.147 363 H TYR 34 H TYR 34 -1.677 5.340 4.105 364 HA TYR 34 HA TYR 34 0.240 6.682 5.664 365 1HB TYR 34 2HB TYR 34 0.184 4.328 5.574 366 2HB TYR 34 1HB TYR 34 0.007 4.312 3.814 367 HD1 TYR 34 1HD TYR 34 2.047 4.835 2.390 368 HD2 TYR 34 2HD TYR 34 2.321 4.239 6.635 369 HE1 TYR 34 1HE TYR 34 4.492 4.477 2.184 370 HE2 TYR 34 2HE TYR 34 4.766 3.881 6.428 371 HH TYR 34 HH TYR 34 6.587 4.780 4.403 372 QB TYR 34 QB TYR 34 0.095 4.320 4.694 373 QG TYR 34 QD TYR 34 2.184 4.537 4.513 374 QZ TYR 34 QE TYR 34 4.629 4.179 4.306 375 QR TYR 34 QR TYR 34 3.407 4.358 4.409 376 H ALA 35 H ALA 35 -0.063 6.350 2.137 377 HA ALA 35 HA ALA 35 2.469 7.540 1.388 378 1HB ALA 35 3HB ALA 35 -0.164 6.864 0.115 379 2HB ALA 35 2HB ALA 35 0.936 7.934 -0.760 380 3HB ALA 35 1HB ALA 35 1.458 6.311 -0.307 381 QB ALA 35 QB ALA 35 0.743 7.036 -0.317 382 H ASN 36 H ASN 36 -0.865 8.870 1.460 383 HA ASN 36 HA ASN 36 -0.285 11.525 0.681 384 1HB ASN 36 2HB ASN 36 -2.372 10.175 2.361 385 2HB ASN 36 1HB ASN 36 -2.385 11.931 2.200 386 1HD2 ASN 36 2HD2 ASN 36 -3.230 9.617 -1.086 387 2HD2 ASN 36 1HD2 ASN 36 -2.451 8.918 0.251 388 QB ASN 36 QB ASN 36 -2.379 11.053 2.281 389 QD2 ASN 36 QD2 ASN 36 -2.841 9.267 -0.417 390 H ASP 37 H ASP 37 -0.493 10.217 4.015 391 HA ASP 37 HA ASP 37 0.137 12.586 5.422 392 1HB ASP 37 2HB ASP 37 0.525 9.642 5.905 393 2HB ASP 37 1HB ASP 37 1.070 10.817 7.102 394 QB ASP 37 QB ASP 37 0.797 10.230 6.503 395 H ASN 38 H ASN 38 2.204 10.501 3.585 396 HA ASN 38 HA ASN 38 4.648 11.730 4.670 397 1HB ASN 38 2HB ASN 38 3.874 9.276 3.185 398 2HB ASN 38 1HB ASN 38 5.493 9.905 2.878 399 1HD2 ASN 38 2HD2 ASN 38 6.454 8.038 5.743 400 2HD2 ASN 38 1HD2 ASN 38 6.553 8.162 4.052 401 QB ASN 38 QB ASN 38 4.684 9.590 3.031 402 QD2 ASN 38 QD2 ASN 38 6.504 8.100 4.898 403 H GLY 39 H GLY 39 2.637 11.655 1.801 404 1HA GLY 39 2HA GLY 39 2.706 13.586 0.266 405 2HA GLY 39 1HA GLY 39 4.449 13.666 0.533 406 QA GLY 39 QA GLY 39 3.577 13.626 0.399 407 H ILE 40 H ILE 40 2.761 10.624 0.070 408 HA ILE 40 HA ILE 40 4.370 10.140 -2.380 409 HB ILE 40 HB ILE 40 3.041 8.589 -0.206 410 1HG1 ILE 40 2HG1 ILE 40 5.214 7.339 -0.377 411 2HG1 ILE 40 1HG1 ILE 40 5.687 8.478 -1.641 412 1HG2 ILE 40 1HG2 ILE 40 2.132 7.560 -2.315 413 2HG2 ILE 40 3HG2 ILE 40 3.797 7.244 -2.804 414 3HG2 ILE 40 2HG2 ILE 40 3.140 6.481 -1.355 415 1HD1 ILE 40 2HD1 ILE 40 4.750 9.338 1.100 416 2HD1 ILE 40 1HD1 ILE 40 6.454 9.108 0.687 417 3HD1 ILE 40 3HD1 ILE 40 5.503 10.340 -0.148 418 QG1 ILE 40 QG1 ILE 40 5.450 7.909 -1.009 419 QG2 ILE 40 QG2 ILE 40 3.023 7.095 -2.158 420 QD1 ILE 40 QD1 ILE 40 5.569 9.595 0.547 421 H ASP 41 H ASP 41 3.325 10.907 -4.148 422 HA ASP 41 HA ASP 41 0.598 9.888 -4.752 423 1HB ASP 41 2HB ASP 41 0.859 12.281 -3.515 424 2HB ASP 41 1HB ASP 41 1.023 12.798 -5.194 425 QB ASP 41 QB ASP 41 0.941 12.540 -4.354 426 H GLY 42 H GLY 42 1.348 8.800 -6.593 427 1HA GLY 42 2HA GLY 42 1.942 10.442 -8.936 428 2HA GLY 42 1HA GLY 42 3.293 9.430 -8.426 429 QA GLY 42 QA GLY 42 2.618 9.936 -8.681 430 H GLU 43 H GLU 43 2.257 7.059 -7.755 431 HA GLU 43 HA GLU 43 0.359 6.203 -9.897 432 1HB GLU 43 2HB GLU 43 2.739 6.123 -10.705 433 2HB GLU 43 1HB GLU 43 3.098 4.986 -9.404 434 1HG GLU 43 2HG GLU 43 1.617 3.340 -10.310 435 2HG GLU 43 1HG GLU 43 0.909 4.498 -11.436 436 QB GLU 43 QB GLU 43 2.918 5.554 -10.055 437 QG GLU 43 QG GLU 43 1.263 3.919 -10.873 438 H TRP 44 H TRP 44 -0.222 3.817 -9.559 439 HA TRP 44 HA TRP 44 0.229 2.642 -6.879 440 1HB TRP 44 2HB TRP 44 -2.297 4.050 -7.741 441 2HB TRP 44 1HB TRP 44 -2.424 2.612 -6.720 442 HD1 TRP 44 HD TRP 44 -1.484 6.259 -6.602 443 HE1 TRP 44 1HE TRP 44 -0.840 6.871 -4.178 444 HE3 TRP 44 3HE TRP 44 -1.377 1.604 -4.563 445 HZ2 TRP 44 2HZ TRP 44 -0.339 5.537 -1.690 446 HZ3 TRP 44 3HZ TRP 44 -0.817 1.295 -2.157 447 HH2 TRP 44 HH TRP 44 -0.293 3.252 -0.733 448 QB TRP 44 QB TRP 44 -2.361 3.331 -7.230 449 H THR 45 H THR 45 0.324 0.475 -7.257 450 HA THR 45 HA THR 45 -1.570 -0.760 -9.195 451 HB THR 45 HB THR 45 0.174 -1.815 -10.445 452 HG1 THR 45 1HG THR 45 1.684 -2.412 -9.064 453 1HG2 THR 45 2HG2 THR 45 -0.166 0.571 -11.009 454 2HG2 THR 45 1HG2 THR 45 1.107 1.005 -9.865 455 3HG2 THR 45 3HG2 THR 45 1.497 0.061 -11.304 456 QG2 THR 45 QG2 THR 45 0.813 0.546 -10.726 457 H TYR 46 H TYR 46 -2.323 -2.648 -8.363 458 HA TYR 46 HA TYR 46 -1.057 -3.688 -5.881 459 1HB TYR 46 2HB TYR 46 -3.416 -3.208 -5.763 460 2HB TYR 46 1HB TYR 46 -3.733 -4.102 -7.254 461 HD1 TYR 46 2HD TYR 46 -1.875 -4.777 -4.061 462 HD2 TYR 46 1HD TYR 46 -4.792 -6.155 -6.894 463 HE1 TYR 46 2HE TYR 46 -2.152 -6.864 -2.758 464 HE2 TYR 46 1HE TYR 46 -5.062 -8.251 -5.593 465 HH TYR 46 HH TYR 46 -3.072 -9.455 -3.616 466 QB TYR 46 QB TYR 46 -3.574 -3.655 -6.508 467 QG TYR 46 QD TYR 46 -3.333 -5.466 -5.477 468 QZ TYR 46 QE TYR 46 -3.607 -7.558 -4.176 469 QR TYR 46 QR TYR 46 -3.470 -6.512 -4.826 470 H ASP 47 H ASP 47 -0.481 -5.924 -5.710 471 HA ASP 47 HA ASP 47 -0.241 -7.400 -8.311 472 1HB ASP 47 2HB ASP 47 1.677 -7.223 -5.961 473 2HB ASP 47 1HB ASP 47 1.924 -8.226 -7.390 474 QB ASP 47 QB ASP 47 1.800 -7.725 -6.675 475 H ASP 48 H ASP 48 -1.989 -8.813 -7.987 476 HA ASP 48 HA ASP 48 -2.613 -10.068 -5.461 477 1HB ASP 48 2HB ASP 48 -4.148 -11.403 -6.892 478 2HB ASP 48 1HB ASP 48 -4.246 -9.680 -7.248 479 QB ASP 48 QB ASP 48 -4.197 -10.541 -7.070 480 H ALA 49 H ALA 49 -0.027 -10.654 -7.546 481 HA ALA 49 HA ALA 49 0.063 -13.577 -7.171 482 1HB ALA 49 2HB ALA 49 0.718 -12.306 -9.275 483 2HB ALA 49 1HB ALA 49 2.097 -11.677 -8.375 484 3HB ALA 49 3HB ALA 49 1.953 -13.410 -8.669 485 QB ALA 49 QB ALA 49 1.589 -12.464 -8.773 486 H THR 50 H THR 50 1.457 -10.628 -5.842 487 HA THR 50 HA THR 50 3.003 -12.304 -3.893 488 HB THR 50 HB THR 50 4.698 -10.477 -3.979 489 HG1 THR 50 1HG THR 50 4.445 -8.954 -5.683 490 1HG2 THR 50 1HG2 THR 50 4.583 -12.531 -5.584 491 2HG2 THR 50 3HG2 THR 50 4.163 -11.333 -6.808 492 3HG2 THR 50 2HG2 THR 50 5.704 -11.222 -5.957 493 QG2 THR 50 QG2 THR 50 4.817 -11.695 -6.116 494 H LYS 51 H LYS 51 0.339 -10.416 -4.168 495 HA LYS 51 HA LYS 51 -0.903 -9.083 -2.672 496 1HB LYS 51 2HB LYS 51 1.014 -10.392 -0.709 497 2HB LYS 51 1HB LYS 51 -0.541 -9.668 -0.304 498 1HG LYS 51 2HG LYS 51 -0.273 -11.929 -2.298 499 2HG LYS 51 1HG LYS 51 -0.540 -12.207 -0.576 500 1HD LYS 51 2HD LYS 51 -2.692 -11.388 -0.634 501 2HD LYS 51 1HD LYS 51 -2.340 -10.262 -1.944 502 1HE LYS 51 2HE LYS 51 -3.500 -11.792 -3.208 503 2HE LYS 51 1HE LYS 51 -1.952 -12.661 -3.210 504 1HZ LYS 51 2HZ LYS 51 -2.620 -13.744 -1.137 505 2HZ LYS 51 1HZ LYS 51 -4.129 -12.967 -1.210 506 3HZ LYS 51 3HZ LYS 51 -3.703 -14.101 -2.396 507 QB LYS 51 QB LYS 51 0.237 -10.030 -0.506 508 QG LYS 51 QG LYS 51 -0.406 -12.068 -1.437 509 QD LYS 51 QD LYS 51 -2.516 -10.825 -1.289 510 QE LYS 51 QE LYS 51 -2.726 -12.227 -3.209 511 QZ LYS 51 QZ LYS 51 -3.484 -13.604 -1.581 512 H THR 52 H THR 52 1.266 -7.759 -3.975 513 HA THR 52 HA THR 52 2.091 -5.821 -1.826 514 HB THR 52 HB THR 52 3.686 -6.761 -4.230 515 HG1 THR 52 1HG THR 52 3.806 -7.426 -1.479 516 1HG2 THR 52 1HG2 THR 52 4.207 -4.848 -1.965 517 2HG2 THR 52 3HG2 THR 52 5.542 -5.673 -2.772 518 3HG2 THR 52 2HG2 THR 52 4.474 -4.612 -3.692 519 QG2 THR 52 QG2 THR 52 4.741 -5.044 -2.810 520 H PHE 53 H PHE 53 1.895 -3.641 -2.379 521 HA PHE 53 HA PHE 53 0.552 -3.034 -4.965 522 1HB PHE 53 2HB PHE 53 0.914 -1.568 -2.338 523 2HB PHE 53 1HB PHE 53 0.124 -0.839 -3.736 524 HD1 PHE 53 2HD PHE 53 -0.033 -3.718 -1.368 525 HD2 PHE 53 1HD PHE 53 -2.154 -1.340 -4.263 526 HE1 PHE 53 2HE PHE 53 -2.159 -4.843 -0.739 527 HE2 PHE 53 1HE PHE 53 -4.264 -2.473 -3.632 528 1HZ PHE 53 HZ PHE 53 -4.268 -4.220 -1.876 529 QB PHE 53 QB PHE 53 0.519 -1.204 -3.037 530 QG PHE 53 QD PHE 53 -1.093 -2.529 -2.816 531 QZ PHE 53 QE PHE 53 -3.212 -3.658 -2.186 532 QZ PHE 53 QR PHE 53 -2.576 -3.319 -2.376 533 H THR 54 H THR 54 1.314 -0.454 -5.555 534 HA THR 54 HA THR 54 4.243 -0.181 -5.268 535 HB THR 54 HB THR 54 3.195 -0.213 -8.071 536 HG1 THR 54 1HG THR 54 3.882 -2.558 -6.631 537 1HG2 THR 54 1HG2 THR 54 5.520 0.414 -7.560 538 2HG2 THR 54 3HG2 THR 54 5.769 -1.149 -6.780 539 3HG2 THR 54 2HG2 THR 54 5.457 -1.068 -8.515 540 QG2 THR 54 QG2 THR 54 5.582 -0.601 -7.618 541 H VAL 55 H VAL 55 3.994 1.892 -4.468 542 HA VAL 55 HA VAL 55 2.440 3.796 -6.154 543 HB VAL 55 HB VAL 55 1.470 3.403 -3.955 544 1HG1 VAL 55 3HG1 VAL 55 4.254 4.092 -2.968 545 2HG1 VAL 55 2HG1 VAL 55 2.828 4.058 -1.921 546 3HG1 VAL 55 1HG1 VAL 55 3.359 2.582 -2.732 547 1HG2 VAL 55 1HG2 VAL 55 2.915 6.064 -4.140 548 2HG2 VAL 55 3HG2 VAL 55 1.310 5.693 -4.770 549 3HG2 VAL 55 2HG2 VAL 55 1.588 5.726 -3.027 550 QG1 VAL 55 QG1 VAL 55 3.480 3.578 -2.540 551 QG2 VAL 55 QG2 VAL 55 1.938 5.828 -3.979 552 QQG VAL 55 QQG VAL 55 2.709 4.703 -3.260 553 H THR 56 H THR 56 3.346 5.780 -6.658 554 HA THR 56 HA THR 56 6.130 6.307 -5.734 555 HB THR 56 HB THR 56 5.796 5.040 -8.011 556 HG1 THR 56 1HG THR 56 7.368 7.387 -8.053 557 1HG2 THR 56 3HG2 THR 56 4.096 6.651 -8.898 558 2HG2 THR 56 2HG2 THR 56 5.357 7.881 -8.962 559 3HG2 THR 56 1HG2 THR 56 5.489 6.433 -9.961 560 QG2 THR 56 QG2 THR 56 4.981 6.988 -9.274 561 H GLU 57 H GLU 57 6.731 8.656 -6.676 562 HA GLU 57 HA GLU 57 4.304 10.404 -6.398 563 1HB GLU 57 2HB GLU 57 5.673 10.246 -4.326 564 2HB GLU 57 1HB GLU 57 7.084 10.792 -5.232 565 1HG GLU 57 2HG GLU 57 4.640 12.480 -5.420 566 2HG GLU 57 1HG GLU 57 5.497 12.494 -3.879 567 QB GLU 57 QB GLU 57 6.379 10.519 -4.779 568 QG GLU 57 QG GLU 57 5.068 12.487 -4.650 No H/Q in entry = 568 Start of MODEL 10 1 1H MET 1 1HT MET 1 0.421 -13.142 7.478 2 2H MET 1 3HT MET 1 -0.912 -12.773 8.460 3 3H MET 1 2HT MET 1 -0.055 -14.220 8.703 4 HA MET 1 HA MET 1 -0.829 -15.140 6.664 5 1HB MET 1 2HB MET 1 -2.307 -14.574 8.890 6 2HB MET 1 1HB MET 1 -3.316 -13.850 7.636 7 1HG MET 1 2HG MET 1 -4.111 -16.035 7.622 8 2HG MET 1 1HG MET 1 -2.858 -16.132 6.386 9 1HE MET 1 2HE MET 1 -4.287 -17.141 9.563 10 2HE MET 1 1HE MET 1 -4.191 -18.541 8.498 11 3HE MET 1 3HE MET 1 -3.340 -18.544 10.048 12 QB MET 1 QB MET 1 -2.811 -14.212 8.263 13 QG MET 1 QG MET 1 -3.485 -16.084 7.004 14 QE MET 1 QE MET 1 -3.939 -18.075 9.370 15 H THR 2 H THR 2 -2.425 -11.953 7.089 16 HA THR 2 HA THR 2 -2.510 -11.684 4.104 17 HB THR 2 HB THR 2 -4.124 -10.314 6.281 18 HG1 THR 2 1HG THR 2 -5.333 -12.013 6.238 19 1HG2 THR 2 3HG2 THR 2 -4.114 -10.241 3.286 20 2HG2 THR 2 2HG2 THR 2 -5.652 -10.081 4.133 21 3HG2 THR 2 1HG2 THR 2 -4.355 -8.925 4.437 22 QG2 THR 2 QG2 THR 2 -4.707 -9.749 3.952 23 H THR 3 H THR 3 -0.213 -10.992 5.957 24 HA THR 3 HA THR 3 -0.030 -8.161 6.351 25 HB THR 3 HB THR 3 2.283 -9.988 5.691 26 HG1 THR 3 1HG THR 3 1.740 -11.205 7.291 27 1HG2 THR 3 1HG2 THR 3 2.262 -7.402 6.437 28 2HG2 THR 3 3HG2 THR 3 2.211 -8.155 8.031 29 3HG2 THR 3 2HG2 THR 3 3.536 -8.518 6.926 30 QG2 THR 3 QG2 THR 3 2.669 -8.025 7.131 31 H PHE 4 H PHE 4 -0.719 -7.045 4.460 32 HA PHE 4 HA PHE 4 0.410 -7.620 1.825 33 1HB PHE 4 2HB PHE 4 -1.400 -5.584 3.094 34 2HB PHE 4 1HB PHE 4 -0.770 -5.283 1.474 35 HD1 PHE 4 1HD PHE 4 -0.953 -7.314 -0.205 36 HD2 PHE 4 2HD PHE 4 -3.349 -6.851 3.329 37 HE1 PHE 4 1HE PHE 4 -2.647 -8.856 -1.152 38 HE2 PHE 4 2HE PHE 4 -5.043 -8.391 2.377 39 1HZ PHE 4 HZ PHE 4 -4.693 -9.394 0.140 40 QB PHE 4 QB PHE 4 -1.085 -5.433 2.284 41 QG PHE 4 QD PHE 4 -2.151 -7.083 1.562 42 QZ PHE 4 QE PHE 4 -3.845 -8.623 0.612 43 QZ PHE 4 QR PHE 4 -3.337 -8.161 0.898 44 H LYS 5 H LYS 5 1.957 -6.322 0.710 45 HA LYS 5 HA LYS 5 3.665 -4.629 2.488 46 1HB LYS 5 2HB LYS 5 4.324 -6.822 1.110 47 2HB LYS 5 1HB LYS 5 4.528 -5.646 -0.190 48 1HG LYS 5 2HG LYS 5 6.298 -4.600 0.844 49 2HG LYS 5 1HG LYS 5 5.711 -4.973 2.464 50 1HD LYS 5 2HD LYS 5 7.671 -6.325 2.088 51 2HD LYS 5 1HD LYS 5 6.272 -7.396 2.010 52 1HE LYS 5 2HE LYS 5 6.353 -7.508 -0.372 53 2HE LYS 5 1HE LYS 5 7.465 -6.128 -0.472 54 1HZ LYS 5 3HZ LYS 5 8.056 -8.717 0.865 55 2HZ LYS 5 2HZ LYS 5 8.652 -8.244 -0.653 56 3HZ LYS 5 1HZ LYS 5 9.112 -7.397 0.746 57 QB LYS 5 QB LYS 5 4.426 -6.234 0.460 58 QG LYS 5 QG LYS 5 6.004 -4.787 1.654 59 QD LYS 5 QD LYS 5 6.971 -6.860 2.049 60 QE LYS 5 QE LYS 5 6.909 -6.818 -0.422 61 QZ LYS 5 QZ LYS 5 8.607 -8.119 0.320 62 H LEU 6 H LEU 6 5.025 -3.060 0.801 63 HA LEU 6 HA LEU 6 3.341 -1.880 -1.296 64 1HB LEU 6 2HB LEU 6 2.289 -1.079 0.792 65 2HB LEU 6 1HB LEU 6 3.841 -0.447 1.338 66 HG LEU 6 HG LEU 6 3.809 0.879 -0.922 67 1HD1 LEU 6 3HD1 LEU 6 1.025 -0.181 -0.663 68 2HD1 LEU 6 2HD1 LEU 6 1.236 1.466 -1.257 69 3HD1 LEU 6 1HD1 LEU 6 1.980 0.119 -2.116 70 1HD2 LEU 6 2HD2 LEU 6 3.302 1.574 1.624 71 2HD2 LEU 6 1HD2 LEU 6 3.122 2.714 0.292 72 3HD2 LEU 6 3HD2 LEU 6 1.709 1.886 0.938 73 QB LEU 6 QB LEU 6 3.065 -0.763 1.065 74 QD1 LEU 6 QD1 LEU 6 1.414 0.468 -1.345 75 QD2 LEU 6 QD2 LEU 6 2.711 2.058 0.951 76 QQD LEU 6 QQD LEU 6 2.062 1.263 -0.197 77 H ILE 7 H ILE 7 5.179 -1.987 -2.649 78 HA ILE 7 HA ILE 7 7.783 -0.944 -1.803 79 HB ILE 7 HB ILE 7 6.649 -1.746 -4.512 80 1HG1 ILE 7 2HG1 ILE 7 8.387 -3.324 -2.588 81 2HG1 ILE 7 1HG1 ILE 7 6.644 -3.537 -2.745 82 1HG2 ILE 7 2HG2 ILE 7 9.395 -1.003 -3.537 83 2HG2 ILE 7 1HG2 ILE 7 9.221 -2.170 -4.848 84 3HG2 ILE 7 3HG2 ILE 7 8.581 -0.536 -5.031 85 1HD1 ILE 7 1HD1 ILE 7 7.004 -3.986 -5.203 86 2HD1 ILE 7 3HD1 ILE 7 8.738 -3.989 -4.885 87 3HD1 ILE 7 2HD1 ILE 7 7.703 -5.203 -4.134 88 QG1 ILE 7 QG1 ILE 7 7.515 -3.431 -2.667 89 QG2 ILE 7 QG2 ILE 7 9.066 -1.236 -4.472 90 QD1 ILE 7 QD1 ILE 7 7.815 -4.393 -4.741 91 H ILE 8 H ILE 8 8.069 1.253 -1.673 92 HA ILE 8 HA ILE 8 6.223 3.031 -3.096 93 HB ILE 8 HB ILE 8 8.665 3.841 -1.514 94 1HG1 ILE 8 2HG1 ILE 8 7.244 2.179 -0.212 95 2HG1 ILE 8 1HG1 ILE 8 7.390 3.754 0.537 96 1HG2 ILE 8 1HG2 ILE 8 6.038 5.107 -2.300 97 2HG2 ILE 8 3HG2 ILE 8 6.999 5.747 -0.962 98 3HG2 ILE 8 2HG2 ILE 8 7.680 5.700 -2.588 99 1HD1 ILE 8 1HD1 ILE 8 5.126 3.783 -1.211 100 2HD1 ILE 8 3HD1 ILE 8 5.018 2.365 -0.175 101 3HD1 ILE 8 2HD1 ILE 8 5.160 3.973 0.538 102 QG1 ILE 8 QG1 ILE 8 7.317 2.966 0.163 103 QG2 ILE 8 QG2 ILE 8 6.906 5.518 -1.950 104 QD1 ILE 8 QD1 ILE 8 5.101 3.374 -0.282 105 H ASN 9 H ASN 9 6.642 3.363 -5.252 106 HA ASN 9 HA ASN 9 9.379 3.232 -6.332 107 1HB ASN 9 2HB ASN 9 7.413 2.270 -7.471 108 2HB ASN 9 1HB ASN 9 6.678 3.865 -7.541 109 1HD2 ASN 9 2HD2 ASN 9 8.172 4.310 -10.714 110 2HD2 ASN 9 1HD2 ASN 9 6.741 4.325 -9.798 111 QB ASN 9 QB ASN 9 7.046 3.067 -7.506 112 QD2 ASN 9 QD2 ASN 9 7.457 4.317 -10.256 113 H GLY 10 H GLY 10 7.896 5.634 -4.639 114 1HA GLY 10 2HA GLY 10 8.598 7.855 -6.463 115 2HA GLY 10 1HA GLY 10 7.773 8.015 -4.912 116 QA GLY 10 QA GLY 10 8.186 7.935 -5.688 117 H LYS 11 H LYS 11 9.594 9.789 -4.914 118 HA LYS 11 HA LYS 11 12.135 8.620 -3.838 119 1HB LYS 11 2HB LYS 11 13.069 10.852 -4.454 120 2HB LYS 11 1HB LYS 11 12.352 10.025 -5.836 121 1HG LYS 11 2HG LYS 11 10.626 11.525 -6.012 122 2HG LYS 11 1HG LYS 11 10.536 11.787 -4.272 123 1HD LYS 11 2HD LYS 11 12.903 12.909 -4.634 124 2HD LYS 11 1HD LYS 11 12.326 13.089 -6.292 125 1HE LYS 11 2HE LYS 11 10.536 13.905 -4.010 126 2HE LYS 11 1HE LYS 11 11.810 15.005 -4.574 127 1HZ LYS 11 2HZ LYS 11 9.858 13.661 -6.366 128 2HZ LYS 11 1HZ LYS 11 9.679 15.252 -5.798 129 3HZ LYS 11 3HZ LYS 11 10.990 14.853 -6.798 130 QB LYS 11 QB LYS 11 12.710 10.438 -5.145 131 QG LYS 11 QG LYS 11 10.581 11.656 -5.142 132 QD LYS 11 QD LYS 11 12.614 12.999 -5.463 133 QE LYS 11 QE LYS 11 11.173 14.455 -4.292 134 QZ LYS 11 QZ LYS 11 10.176 14.589 -6.320 135 H THR 12 H THR 12 9.514 9.117 -2.370 136 HA THR 12 HA THR 12 10.592 10.963 -0.262 137 HB THR 12 HB THR 12 8.047 11.336 0.121 138 HG1 THR 12 1HG THR 12 6.861 10.988 -1.820 139 1HG2 THR 12 2HG2 THR 12 9.791 12.375 -2.061 140 2HG2 THR 12 1HG2 THR 12 8.084 12.819 -2.109 141 3HG2 THR 12 3HG2 THR 12 9.063 13.229 -0.700 142 QG2 THR 12 QG2 THR 12 8.979 12.807 -1.623 143 H LEU 13 H LEU 13 10.633 7.911 -0.649 144 HA LEU 13 HA LEU 13 10.091 7.190 2.103 145 1HB LEU 13 2HB LEU 13 7.936 7.122 0.176 146 2HB LEU 13 1HB LEU 13 8.297 5.479 0.698 147 HG LEU 13 HG LEU 13 7.755 7.826 2.539 148 1HD1 LEU 13 3HD1 LEU 13 6.070 5.610 1.415 149 2HD1 LEU 13 2HD1 LEU 13 5.763 6.148 3.068 150 3HD1 LEU 13 1HD1 LEU 13 5.642 7.293 1.733 151 1HD2 LEU 13 1HD2 LEU 13 8.484 4.930 2.987 152 2HD2 LEU 13 3HD2 LEU 13 9.164 6.368 3.749 153 3HD2 LEU 13 2HD2 LEU 13 7.549 5.815 4.192 154 QB LEU 13 QB LEU 13 8.117 6.301 0.437 155 QD1 LEU 13 QD1 LEU 13 5.825 6.350 2.072 156 QD2 LEU 13 QD2 LEU 13 8.399 5.705 3.643 157 QQD LEU 13 QQD LEU 13 7.112 6.027 2.857 158 H LYS 14 H LYS 14 9.725 5.437 -0.998 159 HA LYS 14 HA LYS 14 10.858 3.544 -1.845 160 1HB LYS 14 2HB LYS 14 12.905 5.302 -0.533 161 2HB LYS 14 1HB LYS 14 13.415 3.730 -1.151 162 1HG LYS 14 2HG LYS 14 11.701 5.297 -2.987 163 2HG LYS 14 1HG LYS 14 13.290 5.994 -2.673 164 1HD LYS 14 2HD LYS 14 13.217 3.071 -3.210 165 2HD LYS 14 1HD LYS 14 12.872 4.128 -4.578 166 1HE LYS 14 2HE LYS 14 15.255 4.674 -2.807 167 2HE LYS 14 1HE LYS 14 15.364 3.505 -4.139 168 1HZ LYS 14 3HZ LYS 14 14.302 6.265 -4.424 169 2HZ LYS 14 2HZ LYS 14 15.894 5.818 -4.816 170 3HZ LYS 14 1HZ LYS 14 14.587 5.151 -5.671 171 QB LYS 14 QB LYS 14 13.160 4.516 -0.842 172 QG LYS 14 QG LYS 14 12.495 5.645 -2.830 173 QD LYS 14 QD LYS 14 13.045 3.599 -3.894 174 QE LYS 14 QE LYS 14 15.310 4.089 -3.473 175 QZ LYS 14 QZ LYS 14 14.928 5.745 -4.970 176 H GLY 15 H GLY 15 9.895 1.814 -0.697 177 1HA GLY 15 2HA GLY 15 11.445 0.139 0.893 178 2HA GLY 15 1HA GLY 15 10.605 1.177 2.045 179 QA GLY 15 QA GLY 15 11.025 0.658 1.469 180 H GLU 16 H GLU 16 10.322 -1.769 1.358 181 HA GLU 16 HA GLU 16 7.494 -1.859 0.436 182 1HB GLU 16 2HB GLU 16 8.030 -4.176 -0.031 183 2HB GLU 16 1HB GLU 16 9.362 -3.177 -0.605 184 1HG GLU 16 2HG GLU 16 10.200 -3.671 1.933 185 2HG GLU 16 1HG GLU 16 9.309 -5.155 1.597 186 QB GLU 16 QB GLU 16 8.696 -3.677 -0.318 187 QG GLU 16 QG GLU 16 9.754 -4.413 1.765 188 H ILE 17 H ILE 17 7.322 -0.794 2.853 189 HA ILE 17 HA ILE 17 7.538 -2.422 5.174 190 HB ILE 17 HB ILE 17 5.825 -0.835 6.077 191 1HG1 ILE 17 2HG1 ILE 17 5.774 0.584 3.443 192 2HG1 ILE 17 1HG1 ILE 17 4.714 -0.811 3.646 193 1HG2 ILE 17 3HG2 ILE 17 8.093 0.221 4.383 194 2HG2 ILE 17 2HG2 ILE 17 7.126 1.277 5.412 195 3HG2 ILE 17 1HG2 ILE 17 8.061 -0.036 6.128 196 1HD1 ILE 17 2HD1 ILE 17 4.814 1.328 5.759 197 2HD1 ILE 17 1HD1 ILE 17 3.819 1.548 4.319 198 3HD1 ILE 17 3HD1 ILE 17 3.518 0.187 5.399 199 QG1 ILE 17 QG1 ILE 17 5.244 -0.113 3.545 200 QG2 ILE 17 QG2 ILE 17 7.760 0.487 5.308 201 QD1 ILE 17 QD1 ILE 17 4.050 1.021 5.159 202 H THR 18 H THR 18 6.033 -3.819 6.211 203 HA THR 18 HA THR 18 3.836 -4.838 4.443 204 HB THR 18 HB THR 18 4.274 -6.939 5.898 205 HG1 THR 18 1HG THR 18 5.511 -5.909 7.475 206 1HG2 THR 18 3HG2 THR 18 4.990 -6.600 3.509 207 2HG2 THR 18 2HG2 THR 18 6.525 -5.978 4.116 208 3HG2 THR 18 1HG2 THR 18 6.062 -7.651 4.436 209 QG2 THR 18 QG2 THR 18 5.859 -6.743 4.021 210 H ILE 19 H ILE 19 1.777 -4.884 5.277 211 HA ILE 19 HA ILE 19 1.414 -4.529 8.224 212 HB ILE 19 HB ILE 19 -0.270 -2.773 7.765 213 1HG1 ILE 19 2HG1 ILE 19 0.140 -1.879 5.222 214 2HG1 ILE 19 1HG1 ILE 19 0.281 -3.618 4.972 215 1HG2 ILE 19 2HG2 ILE 19 2.202 -2.266 8.086 216 2HG2 ILE 19 1HG2 ILE 19 2.314 -2.113 6.331 217 3HG2 ILE 19 3HG2 ILE 19 1.279 -1.018 7.249 218 1HD1 ILE 19 1HD1 ILE 19 -1.899 -3.860 6.263 219 2HD1 ILE 19 3HD1 ILE 19 -2.057 -2.107 6.163 220 3HD1 ILE 19 2HD1 ILE 19 -2.039 -3.076 4.691 221 QG1 ILE 19 QG1 ILE 19 0.211 -2.748 5.097 222 QG2 ILE 19 QG2 ILE 19 1.932 -1.799 7.222 223 QD1 ILE 19 QD1 ILE 19 -1.998 -3.014 5.706 224 H GLU 20 H GLU 20 -0.462 -5.528 9.033 225 HA GLU 20 HA GLU 20 -1.672 -7.586 7.323 226 1HB GLU 20 2HB GLU 20 -2.739 -8.238 9.470 227 2HB GLU 20 1HB GLU 20 -1.000 -8.012 9.654 228 1HG GLU 20 2HG GLU 20 -2.482 -5.525 10.091 229 2HG GLU 20 1HG GLU 20 -2.985 -6.800 11.198 230 QB GLU 20 QB GLU 20 -1.869 -8.125 9.562 231 QG GLU 20 QG GLU 20 -2.734 -6.162 10.644 232 H ALA 21 H ALA 21 -3.996 -7.769 6.985 233 HA ALA 21 HA ALA 21 -5.820 -5.611 7.697 234 1HB ALA 21 3HB ALA 21 -4.245 -4.707 5.880 235 2HB ALA 21 2HB ALA 21 -5.034 -5.841 4.784 236 3HB ALA 21 1HB ALA 21 -5.972 -4.562 5.555 237 QB ALA 21 QB ALA 21 -5.083 -5.037 5.406 238 H VAL 22 H VAL 22 -7.998 -6.037 6.849 239 HA VAL 22 HA VAL 22 -8.823 -8.723 6.852 240 HB VAL 22 HB VAL 22 -10.259 -6.762 7.254 241 1HG1 VAL 22 3HG1 VAL 22 -9.113 -5.478 5.295 242 2HG1 VAL 22 2HG1 VAL 22 -10.325 -6.263 4.281 243 3HG1 VAL 22 1HG1 VAL 22 -10.829 -5.196 5.593 244 1HG2 VAL 22 3HG2 VAL 22 -11.145 -8.440 4.884 245 2HG2 VAL 22 2HG2 VAL 22 -11.359 -8.849 6.586 246 3HG2 VAL 22 1HG2 VAL 22 -12.220 -7.474 5.896 247 QG1 VAL 22 QG1 VAL 22 -10.089 -5.646 5.056 248 QG2 VAL 22 QG2 VAL 22 -11.575 -8.254 5.789 249 QQG VAL 22 QQG VAL 22 -10.832 -6.950 5.423 250 H ASP 23 H ASP 23 -8.018 -6.628 4.101 251 HA ASP 23 HA ASP 23 -7.475 -8.965 2.399 252 1HB ASP 23 2HB ASP 23 -9.889 -7.198 2.178 253 2HB ASP 23 1HB ASP 23 -9.153 -7.802 0.693 254 QB ASP 23 QB ASP 23 -9.521 -7.500 1.435 255 H ALA 24 H ALA 24 -6.796 -8.067 0.119 256 HA ALA 24 HA ALA 24 -4.708 -6.153 0.450 257 1HB ALA 24 1HB ALA 24 -5.305 -7.973 -1.396 258 2HB ALA 24 3HB ALA 24 -6.041 -6.588 -2.203 259 3HB ALA 24 2HB ALA 24 -4.321 -6.566 -1.806 260 QB ALA 24 QB ALA 24 -5.222 -7.042 -1.802 261 H ALA 25 H ALA 25 -8.073 -5.796 -0.622 262 HA ALA 25 HA ALA 25 -8.055 -3.170 -1.628 263 1HB ALA 25 3HB ALA 25 -10.045 -4.843 -0.098 264 2HB ALA 25 2HB ALA 25 -10.462 -3.216 -0.639 265 3HB ALA 25 1HB ALA 25 -10.032 -4.455 -1.819 266 QB ALA 25 QB ALA 25 -10.180 -4.171 -0.852 267 H GLU 26 H GLU 26 -8.480 -4.260 1.748 268 HA GLU 26 HA GLU 26 -8.672 -1.621 2.899 269 1HB GLU 26 2HB GLU 26 -8.960 -4.262 3.707 270 2HB GLU 26 1HB GLU 26 -7.500 -3.759 4.558 271 1HG GLU 26 2HG GLU 26 -9.900 -1.953 4.565 272 2HG GLU 26 1HG GLU 26 -9.856 -3.338 5.655 273 QB GLU 26 QB GLU 26 -8.230 -4.011 4.133 274 QG GLU 26 QG GLU 26 -9.878 -2.645 5.110 275 H ALA 27 H ALA 27 -5.955 -3.915 2.501 276 HA ALA 27 HA ALA 27 -3.899 -2.414 3.752 277 1HB ALA 27 3HB ALA 27 -4.170 -4.547 1.724 278 2HB ALA 27 2HB ALA 27 -2.666 -3.626 1.605 279 3HB ALA 27 1HB ALA 27 -3.083 -4.451 3.110 280 QB ALA 27 QB ALA 27 -3.307 -4.208 2.146 281 H GLU 28 H GLU 28 -5.198 -2.208 0.444 282 HA GLU 28 HA GLU 28 -3.313 -0.330 -0.597 283 1HB GLU 28 2HB GLU 28 -5.155 -1.776 -1.732 284 2HB GLU 28 1HB GLU 28 -6.231 -0.429 -1.358 285 1HG GLU 28 2HG GLU 28 -4.162 0.945 -2.425 286 2HG GLU 28 1HG GLU 28 -3.986 -0.569 -3.314 287 QB GLU 28 QB GLU 28 -5.693 -1.102 -1.545 288 QG GLU 28 QG GLU 28 -4.074 0.188 -2.870 289 H LYS 29 H LYS 29 -6.401 0.168 1.194 290 HA LYS 29 HA LYS 29 -6.242 3.062 0.919 291 1HB LYS 29 2HB LYS 29 -8.273 3.059 2.081 292 2HB LYS 29 1HB LYS 29 -8.280 1.484 1.308 293 1HG LYS 29 2HG LYS 29 -8.660 0.590 3.338 294 2HG LYS 29 1HG LYS 29 -7.031 1.046 3.789 295 1HD LYS 29 2HD LYS 29 -9.486 2.789 4.091 296 2HD LYS 29 1HD LYS 29 -8.666 1.938 5.399 297 1HE LYS 29 2HE LYS 29 -6.683 3.287 5.147 298 2HE LYS 29 1HE LYS 29 -7.288 3.992 3.634 299 1HZ LYS 29 2HZ LYS 29 -9.195 4.865 4.864 300 2HZ LYS 29 1HZ LYS 29 -8.559 4.245 6.313 301 3HZ LYS 29 3HZ LYS 29 -7.736 5.476 5.486 302 QB LYS 29 QB LYS 29 -8.277 2.271 1.694 303 QG LYS 29 QG LYS 29 -7.846 0.818 3.563 304 QD LYS 29 QD LYS 29 -9.076 2.363 4.745 305 QE LYS 29 QE LYS 29 -6.986 3.640 4.391 306 QZ LYS 29 QZ LYS 29 -8.497 4.862 5.554 307 H ILE 30 H ILE 30 -5.142 0.703 3.316 308 HA ILE 30 HA ILE 30 -4.345 2.626 5.338 309 HB ILE 30 HB ILE 30 -3.384 -0.186 4.661 310 1HG1 ILE 30 2HG1 ILE 30 -5.380 0.726 6.755 311 2HG1 ILE 30 1HG1 ILE 30 -5.842 0.100 5.172 312 1HG2 ILE 30 1HG2 ILE 30 -1.885 1.260 6.155 313 2HG2 ILE 30 3HG2 ILE 30 -3.203 1.238 7.326 314 3HG2 ILE 30 2HG2 ILE 30 -2.424 -0.270 6.848 315 1HD1 ILE 30 2HD1 ILE 30 -3.902 -1.578 6.645 316 2HD1 ILE 30 1HD1 ILE 30 -5.499 -1.463 7.387 317 3HD1 ILE 30 3HD1 ILE 30 -5.337 -2.050 5.732 318 QG1 ILE 30 QG1 ILE 30 -5.611 0.413 5.964 319 QG2 ILE 30 QG2 ILE 30 -2.504 0.742 6.776 320 QD1 ILE 30 QD1 ILE 30 -4.912 -1.697 6.588 321 H PHE 31 H PHE 31 -2.818 1.052 2.576 322 HA PHE 31 HA PHE 31 -0.196 2.262 2.934 323 1HB PHE 31 2HB PHE 31 -1.697 0.725 0.818 324 2HB PHE 31 1HB PHE 31 -0.153 1.469 0.412 325 HD1 PHE 31 1HD PHE 31 1.484 1.162 2.768 326 HD2 PHE 31 2HD PHE 31 -1.397 -1.564 1.113 327 HE1 PHE 31 1HE PHE 31 2.680 -0.738 3.821 328 HE2 PHE 31 2HE PHE 31 -0.199 -3.464 2.168 329 1HZ PHE 31 HZ PHE 31 1.837 -3.049 3.521 330 QB PHE 31 QB PHE 31 -0.925 1.097 0.615 331 QG PHE 31 QD PHE 31 0.044 -0.201 1.940 332 QZ PHE 31 QE PHE 31 1.240 -2.101 2.995 333 QZ PHE 31 QR PHE 31 0.881 -1.531 2.678 334 H LYS 32 H LYS 32 -3.134 3.000 1.092 335 HA LYS 32 HA LYS 32 -2.028 5.255 -0.331 336 1HB LYS 32 2HB LYS 32 -4.750 4.088 0.134 337 2HB LYS 32 1HB LYS 32 -4.568 5.626 -0.705 338 1HG LYS 32 2HG LYS 32 -3.170 4.619 -2.398 339 2HG LYS 32 1HG LYS 32 -3.114 3.092 -1.515 340 1HD LYS 32 2HD LYS 32 -5.294 2.532 -2.078 341 2HD LYS 32 1HD LYS 32 -5.791 4.215 -2.250 342 1HE LYS 32 2HE LYS 32 -4.021 4.157 -4.256 343 2HE LYS 32 1HE LYS 32 -4.446 2.435 -4.240 344 1HZ LYS 32 2HZ LYS 32 -6.391 4.682 -4.268 345 2HZ LYS 32 1HZ LYS 32 -5.991 3.723 -5.611 346 3HZ LYS 32 3HZ LYS 32 -6.778 3.028 -4.280 347 QB LYS 32 QB LYS 32 -4.659 4.857 -0.285 348 QG LYS 32 QG LYS 32 -3.142 3.855 -1.956 349 QD LYS 32 QD LYS 32 -5.543 3.374 -2.164 350 QE LYS 32 QE LYS 32 -4.233 3.296 -4.248 351 QZ LYS 32 QZ LYS 32 -6.387 3.811 -4.720 352 H GLN 33 H GLN 33 -2.780 4.907 2.927 353 HA GLN 33 HA GLN 33 -3.637 7.785 3.216 354 1HB GLN 33 2HB GLN 33 -5.028 6.036 4.322 355 2HB GLN 33 1HB GLN 33 -3.592 5.415 5.138 356 1HG GLN 33 2HG GLN 33 -3.351 7.879 6.008 357 2HG GLN 33 1HG GLN 33 -5.065 7.993 5.608 358 1HE2 GLN 33 2HE2 GLN 33 -3.908 5.441 8.623 359 2HE2 GLN 33 1HE2 GLN 33 -2.779 5.887 7.436 360 QB GLN 33 QB GLN 33 -4.310 5.725 4.730 361 QG GLN 33 QG GLN 33 -4.208 7.936 5.808 362 QE2 GLN 33 QE2 GLN 33 -3.344 5.664 8.030 363 H TYR 34 H TYR 34 -1.501 5.256 4.284 364 HA TYR 34 HA TYR 34 0.428 6.584 5.854 365 1HB TYR 34 2HB TYR 34 0.397 4.232 5.736 366 2HB TYR 34 1HB TYR 34 0.162 4.234 3.983 367 HD1 TYR 34 2HD TYR 34 2.704 5.182 6.605 368 HD2 TYR 34 1HD TYR 34 2.013 3.745 2.617 369 HE1 TYR 34 2HE TYR 34 5.142 4.838 6.307 370 HE2 TYR 34 1HE TYR 34 4.450 3.401 2.318 371 HH TYR 34 HH TYR 34 6.537 3.053 4.505 372 QB TYR 34 QB TYR 34 0.279 4.233 4.859 373 QG TYR 34 QD TYR 34 2.358 4.464 4.611 374 QZ TYR 34 QE TYR 34 4.796 4.120 4.312 375 QR TYR 34 QR TYR 34 3.577 4.292 4.462 376 H ALA 35 H ALA 35 0.175 6.152 2.327 377 HA ALA 35 HA ALA 35 2.631 7.440 1.541 378 1HB ALA 35 1HB ALA 35 -0.007 6.716 0.300 379 2HB ALA 35 3HB ALA 35 1.102 7.752 -0.599 380 3HB ALA 35 2HB ALA 35 1.609 6.137 -0.100 381 QB ALA 35 QB ALA 35 0.901 6.868 -0.133 382 H ASN 36 H ASN 36 -0.740 8.666 1.587 383 HA ASN 36 HA ASN 36 -0.242 11.338 0.803 384 1HB ASN 36 2HB ASN 36 -2.300 9.860 2.376 385 2HB ASN 36 1HB ASN 36 -2.351 11.621 2.410 386 1HD2 ASN 36 2HD2 ASN 36 -2.577 10.054 -1.382 387 2HD2 ASN 36 1HD2 ASN 36 -1.369 9.505 -0.324 388 QB ASN 36 QB ASN 36 -2.325 10.741 2.393 389 QD2 ASN 36 QD2 ASN 36 -1.973 9.780 -0.853 390 H ASP 37 H ASP 37 -0.430 10.010 4.119 391 HA ASP 37 HA ASP 37 0.077 12.367 5.578 392 1HB ASP 37 2HB ASP 37 -0.578 10.064 6.398 393 2HB ASP 37 1HB ASP 37 1.111 9.592 6.203 394 QB ASP 37 QB ASP 37 0.266 9.828 6.301 395 H ASN 38 H ASN 38 2.269 10.470 3.679 396 HA ASN 38 HA ASN 38 4.618 11.866 4.786 397 1HB ASN 38 2HB ASN 38 4.084 9.365 3.229 398 2HB ASN 38 1HB ASN 38 5.693 10.085 3.159 399 1HD2 ASN 38 2HD2 ASN 38 6.277 9.553 6.715 400 2HD2 ASN 38 1HD2 ASN 38 6.537 10.725 5.516 401 QB ASN 38 QB ASN 38 4.888 9.725 3.194 402 QD2 ASN 38 QD2 ASN 38 6.407 10.139 6.115 403 H GLY 39 H GLY 39 2.665 11.554 1.887 404 1HA GLY 39 2HA GLY 39 2.617 13.508 0.351 405 2HA GLY 39 1HA GLY 39 4.359 13.647 0.584 406 QA GLY 39 QA GLY 39 3.488 13.577 0.468 407 H ILE 40 H ILE 40 2.766 10.545 0.173 408 HA ILE 40 HA ILE 40 4.346 10.098 -2.305 409 HB ILE 40 HB ILE 40 3.086 8.515 -0.110 410 1HG1 ILE 40 2HG1 ILE 40 5.294 7.335 -0.288 411 2HG1 ILE 40 1HG1 ILE 40 5.722 8.470 -1.571 412 1HG2 ILE 40 2HG2 ILE 40 2.202 7.462 -2.236 413 2HG2 ILE 40 1HG2 ILE 40 3.878 7.166 -2.697 414 3HG2 ILE 40 3HG2 ILE 40 3.212 6.412 -1.247 415 1HD1 ILE 40 3HD1 ILE 40 4.795 9.341 1.170 416 2HD1 ILE 40 2HD1 ILE 40 6.500 9.146 0.741 417 3HD1 ILE 40 1HD1 ILE 40 5.509 10.346 -0.097 418 QG1 ILE 40 QG1 ILE 40 5.508 7.903 -0.930 419 QG2 ILE 40 QG2 ILE 40 3.097 7.013 -2.060 420 QD1 ILE 40 QD1 ILE 40 5.601 9.611 0.605 421 H ASP 41 H ASP 41 3.243 10.874 -4.042 422 HA ASP 41 HA ASP 41 0.543 9.766 -4.609 423 1HB ASP 41 2HB ASP 41 -0.308 12.066 -5.083 424 2HB ASP 41 1HB ASP 41 0.143 11.854 -3.393 425 QB ASP 41 QB ASP 41 -0.082 11.960 -4.238 426 H GLY 42 H GLY 42 1.114 8.744 -6.509 427 1HA GLY 42 2HA GLY 42 1.752 10.390 -8.833 428 2HA GLY 42 1HA GLY 42 3.061 9.304 -8.369 429 QA GLY 42 QA GLY 42 2.406 9.847 -8.601 430 H GLU 43 H GLU 43 1.996 6.973 -7.754 431 HA GLU 43 HA GLU 43 -0.081 6.226 -9.759 432 1HB GLU 43 2HB GLU 43 2.261 6.192 -10.756 433 2HB GLU 43 1HB GLU 43 2.647 4.906 -9.611 434 1HG GLU 43 2HG GLU 43 1.206 3.382 -10.629 435 2HG GLU 43 1HG GLU 43 0.207 4.649 -11.341 436 QB GLU 43 QB GLU 43 2.454 5.549 -10.183 437 QG GLU 43 QG GLU 43 0.706 4.015 -10.985 438 H TRP 44 H TRP 44 -0.573 3.774 -9.482 439 HA TRP 44 HA TRP 44 0.106 2.578 -6.851 440 1HB TRP 44 2HB TRP 44 -2.528 3.859 -7.568 441 2HB TRP 44 1HB TRP 44 -2.529 2.411 -6.552 442 HD1 TRP 44 HD TRP 44 -1.658 6.095 -6.492 443 HE1 TRP 44 1HE TRP 44 -0.932 6.730 -4.098 444 HE3 TRP 44 3HE TRP 44 -1.439 1.456 -4.420 445 HZ2 TRP 44 2HZ TRP 44 -0.338 5.421 -1.618 446 HZ3 TRP 44 3HZ TRP 44 -0.796 1.171 -2.034 447 HH2 TRP 44 HH TRP 44 -0.242 3.146 -0.644 448 QB TRP 44 QB TRP 44 -2.528 3.135 -7.060 449 H THR 45 H THR 45 0.230 0.412 -7.184 450 HA THR 45 HA THR 45 -1.618 -0.896 -9.120 451 HB THR 45 HB THR 45 0.164 -1.882 -10.368 452 HG1 THR 45 1HG THR 45 2.203 -1.960 -9.664 453 1HG2 THR 45 3HG2 THR 45 -0.238 0.489 -10.934 454 2HG2 THR 45 2HG2 THR 45 0.998 0.964 -9.767 455 3HG2 THR 45 1HG2 THR 45 1.447 0.038 -11.203 456 QG2 THR 45 QG2 THR 45 0.736 0.497 -10.635 457 H TYR 46 H TYR 46 -2.301 -2.813 -8.288 458 HA TYR 46 HA TYR 46 -0.984 -3.808 -5.810 459 1HB TYR 46 2HB TYR 46 -3.363 -3.404 -5.677 460 2HB TYR 46 1HB TYR 46 -3.658 -4.327 -7.153 461 HD1 TYR 46 2HD TYR 46 -1.789 -4.870 -3.935 462 HD2 TYR 46 1HD TYR 46 -4.584 -6.435 -6.796 463 HE1 TYR 46 2HE TYR 46 -1.972 -6.959 -2.614 464 HE2 TYR 46 1HE TYR 46 -4.759 -8.529 -5.477 465 HH TYR 46 HH TYR 46 -3.192 -9.769 -3.779 466 QB TYR 46 QB TYR 46 -3.510 -3.865 -6.415 467 QG TYR 46 QD TYR 46 -3.187 -5.653 -5.366 468 QZ TYR 46 QE TYR 46 -3.366 -7.744 -4.046 469 QR TYR 46 QR TYR 46 -3.276 -6.698 -4.706 470 H ASP 47 H ASP 47 0.312 -5.591 -5.921 471 HA ASP 47 HA ASP 47 0.403 -7.167 -8.441 472 1HB ASP 47 2HB ASP 47 2.160 -7.054 -5.964 473 2HB ASP 47 1HB ASP 47 2.512 -8.016 -7.398 474 QB ASP 47 QB ASP 47 2.336 -7.535 -6.681 475 H ASP 48 H ASP 48 -1.357 -8.600 -8.280 476 HA ASP 48 HA ASP 48 -2.127 -9.960 -5.853 477 1HB ASP 48 2HB ASP 48 -3.542 -11.261 -7.433 478 2HB ASP 48 1HB ASP 48 -3.639 -9.526 -7.733 479 QB ASP 48 QB ASP 48 -3.590 -10.394 -7.583 480 H ALA 49 H ALA 49 0.588 -10.457 -7.805 481 HA ALA 49 HA ALA 49 0.698 -13.386 -7.531 482 1HB ALA 49 3HB ALA 49 2.560 -11.243 -8.602 483 2HB ALA 49 2HB ALA 49 2.931 -12.966 -8.652 484 3HB ALA 49 1HB ALA 49 1.547 -12.334 -9.546 485 QB ALA 49 QB ALA 49 2.346 -12.181 -8.934 486 H THR 50 H THR 50 1.970 -10.484 -5.988 487 HA THR 50 HA THR 50 3.314 -12.220 -3.945 488 HB THR 50 HB THR 50 5.037 -10.426 -3.838 489 HG1 THR 50 1HG THR 50 4.953 -8.780 -5.344 490 1HG2 THR 50 2HG2 THR 50 5.038 -12.432 -5.502 491 2HG2 THR 50 1HG2 THR 50 4.732 -11.201 -6.727 492 3HG2 THR 50 3HG2 THR 50 6.198 -11.127 -5.750 493 QG2 THR 50 QG2 THR 50 5.323 -11.587 -5.993 494 H LYS 51 H LYS 51 0.703 -10.300 -4.405 495 HA LYS 51 HA LYS 51 -0.647 -8.979 -2.996 496 1HB LYS 51 2HB LYS 51 1.093 -10.350 -0.915 497 2HB LYS 51 1HB LYS 51 -0.467 -9.594 -0.607 498 1HG LYS 51 2HG LYS 51 -0.502 -11.563 -2.804 499 2HG LYS 51 1HG LYS 51 -0.117 -12.250 -1.227 500 1HD LYS 51 2HD LYS 51 -2.148 -10.898 -0.363 501 2HD LYS 51 1HD LYS 51 -2.595 -10.748 -2.063 502 1HE LYS 51 2HE LYS 51 -3.208 -12.948 -2.219 503 2HE LYS 51 1HE LYS 51 -1.865 -13.491 -1.195 504 1HZ LYS 51 2HZ LYS 51 -3.013 -12.496 0.718 505 2HZ LYS 51 1HZ LYS 51 -4.333 -12.111 -0.279 506 3HZ LYS 51 3HZ LYS 51 -3.931 -13.734 0.003 507 QB LYS 51 QB LYS 51 0.313 -9.972 -0.761 508 QG LYS 51 QG LYS 51 -0.309 -11.907 -2.016 509 QD LYS 51 QD LYS 51 -2.371 -10.823 -1.213 510 QE LYS 51 QE LYS 51 -2.537 -13.220 -1.707 511 QZ LYS 51 QZ LYS 51 -3.759 -12.780 0.147 512 H THR 52 H THR 52 1.675 -7.686 -4.087 513 HA THR 52 HA THR 52 2.364 -5.798 -1.846 514 HB THR 52 HB THR 52 4.032 -6.646 -4.236 515 HG1 THR 52 1HG THR 52 4.228 -7.329 -1.490 516 1HG2 THR 52 2HG2 THR 52 4.387 -4.698 -2.001 517 2HG2 THR 52 1HG2 THR 52 5.799 -5.602 -2.544 518 3HG2 THR 52 3HG2 THR 52 4.912 -4.586 -3.681 519 QG2 THR 52 QG2 THR 52 5.033 -4.962 -2.742 520 H PHE 53 H PHE 53 1.634 -3.742 -2.235 521 HA PHE 53 HA PHE 53 0.534 -3.007 -4.847 522 1HB PHE 53 2HB PHE 53 0.901 -1.603 -2.188 523 2HB PHE 53 1HB PHE 53 0.091 -0.852 -3.565 524 HD1 PHE 53 2HD PHE 53 -0.041 -3.676 -1.156 525 HD2 PHE 53 1HD PHE 53 -2.145 -1.499 -4.215 526 HE1 PHE 53 2HE PHE 53 -2.140 -4.868 -0.565 527 HE2 PHE 53 1HE PHE 53 -4.232 -2.700 -3.620 528 1HZ PHE 53 HZ PHE 53 -4.228 -4.380 -1.802 529 QB PHE 53 QB PHE 53 0.496 -1.227 -2.876 530 QG PHE 53 QD PHE 53 -1.093 -2.587 -2.685 531 QZ PHE 53 QE PHE 53 -3.186 -3.784 -2.093 532 QZ PHE 53 QR PHE 53 -2.557 -3.424 -2.272 533 H THR 54 H THR 54 1.273 -0.453 -5.442 534 HA THR 54 HA THR 54 4.189 -0.106 -5.131 535 HB THR 54 HB THR 54 3.144 -0.233 -7.941 536 HG1 THR 54 1HG THR 54 2.689 -2.258 -7.726 537 1HG2 THR 54 3HG2 THR 54 5.516 0.452 -7.063 538 2HG2 THR 54 2HG2 THR 54 5.760 -1.289 -6.923 539 3HG2 THR 54 1HG2 THR 54 5.382 -0.576 -8.491 540 QG2 THR 54 QG2 THR 54 5.553 -0.471 -7.492 541 H VAL 55 H VAL 55 3.987 1.992 -4.448 542 HA VAL 55 HA VAL 55 2.271 3.792 -6.092 543 HB VAL 55 HB VAL 55 1.429 3.454 -3.847 544 1HG1 VAL 55 2HG1 VAL 55 4.238 4.207 -2.986 545 2HG1 VAL 55 1HG1 VAL 55 2.856 4.142 -1.887 546 3HG1 VAL 55 3HG1 VAL 55 3.389 2.676 -2.712 547 1HG2 VAL 55 3HG2 VAL 55 1.254 5.742 -4.745 548 2HG2 VAL 55 2HG2 VAL 55 1.470 5.770 -2.995 549 3HG2 VAL 55 1HG2 VAL 55 2.830 6.137 -4.057 550 QG1 VAL 55 QG1 VAL 55 3.494 3.675 -2.528 551 QG2 VAL 55 QG2 VAL 55 1.851 5.883 -3.932 552 QQG VAL 55 QQG VAL 55 2.673 4.779 -3.230 553 H THR 56 H THR 56 3.195 5.529 -7.034 554 HA THR 56 HA THR 56 5.995 6.225 -6.235 555 HB THR 56 HB THR 56 5.461 4.913 -8.443 556 HG1 THR 56 1HG THR 56 7.121 6.343 -9.488 557 1HG2 THR 56 3HG2 THR 56 3.683 6.669 -9.092 558 2HG2 THR 56 2HG2 THR 56 5.054 7.673 -9.563 559 3HG2 THR 56 1HG2 THR 56 4.800 6.106 -10.337 560 QG2 THR 56 QG2 THR 56 4.512 6.816 -9.664 561 H GLU 57 H GLU 57 6.359 8.488 -7.680 562 HA GLU 57 HA GLU 57 4.070 10.291 -6.957 563 1HB GLU 57 2HB GLU 57 6.113 10.112 -5.343 564 2HB GLU 57 1HB GLU 57 6.975 11.025 -6.581 565 1HG GLU 57 2HG GLU 57 4.302 11.979 -5.578 566 2HG GLU 57 1HG GLU 57 5.773 12.339 -4.674 567 QB GLU 57 QB GLU 57 6.544 10.569 -5.962 568 QG GLU 57 QG GLU 57 5.038 12.159 -5.126 No H/Q in entry = 568 Start of MODEL 11 1 1H MET 1 3HT MET 1 -0.068 -14.146 7.368 2 2H MET 1 2HT MET 1 -1.233 -13.381 8.339 3 3H MET 1 1HT MET 1 -0.774 -14.986 8.662 4 HA MET 1 HA MET 1 -1.844 -15.803 6.732 5 1HB MET 1 2HB MET 1 -3.066 -14.646 8.876 6 2HB MET 1 1HB MET 1 -3.826 -13.754 7.557 7 1HG MET 1 2HG MET 1 -5.242 -15.579 7.652 8 2HG MET 1 1HG MET 1 -4.049 -16.191 6.508 9 1HE MET 1 2HE MET 1 -4.381 -18.357 6.635 10 2HE MET 1 1HE MET 1 -2.664 -18.507 7.002 11 3HE MET 1 3HE MET 1 -3.849 -19.479 7.884 12 QB MET 1 QB MET 1 -3.446 -14.200 8.216 13 QG MET 1 QG MET 1 -4.646 -15.885 7.080 14 QE MET 1 QE MET 1 -3.632 -18.781 7.174 15 H THR 2 H THR 2 -1.874 -12.237 6.829 16 HA THR 2 HA THR 2 -2.146 -12.238 3.840 17 HB THR 2 HB THR 2 -3.291 -10.330 5.909 18 HG1 THR 2 1HG THR 2 -4.544 -12.089 5.911 19 1HG2 THR 2 2HG2 THR 2 -3.007 -10.231 2.959 20 2HG2 THR 2 1HG2 THR 2 -4.586 -9.777 3.599 21 3HG2 THR 2 3HG2 THR 2 -3.141 -8.910 4.121 22 QG2 THR 2 QG2 THR 2 -3.578 -9.639 3.560 23 H THR 3 H THR 3 -1.494 -9.664 6.236 24 HA THR 3 HA THR 3 0.228 -8.050 6.312 25 HB THR 3 HB THR 3 1.853 -10.431 5.377 26 HG1 THR 3 1HG THR 3 1.651 -11.228 7.345 27 1HG2 THR 3 1HG2 THR 3 2.547 -7.783 6.183 28 2HG2 THR 3 3HG2 THR 3 3.032 -8.880 7.480 29 3HG2 THR 3 2HG2 THR 3 3.629 -9.135 5.841 30 QG2 THR 3 QG2 THR 3 3.069 -8.599 6.501 31 H PHE 4 H PHE 4 -0.734 -6.957 4.366 32 HA PHE 4 HA PHE 4 0.394 -7.493 1.718 33 1HB PHE 4 2HB PHE 4 -1.476 -5.553 3.026 34 2HB PHE 4 1HB PHE 4 -0.800 -5.119 1.457 35 HD1 PHE 4 1HD PHE 4 -0.931 -6.929 -0.413 36 HD2 PHE 4 2HD PHE 4 -3.343 -6.972 3.138 37 HE1 PHE 4 1HE PHE 4 -2.549 -8.436 -1.533 38 HE2 PHE 4 2HE PHE 4 -4.961 -8.477 2.017 39 1HZ PHE 4 HZ PHE 4 -4.567 -9.207 -0.318 40 QB PHE 4 QB PHE 4 -1.138 -5.336 2.242 41 QG PHE 4 QD PHE 4 -2.137 -6.950 1.363 42 QZ PHE 4 QE PHE 4 -3.755 -8.457 0.242 43 QZ PHE 4 QR PHE 4 -3.270 -8.004 0.578 44 H LYS 5 H LYS 5 1.962 -6.196 0.648 45 HA LYS 5 HA LYS 5 3.583 -4.431 2.452 46 1HB LYS 5 2HB LYS 5 4.301 -6.033 -0.030 47 2HB LYS 5 1HB LYS 5 5.437 -5.073 0.917 48 1HG LYS 5 2HG LYS 5 5.786 -7.051 2.009 49 2HG LYS 5 1HG LYS 5 4.330 -6.583 2.887 50 1HD LYS 5 2HD LYS 5 2.938 -7.943 1.504 51 2HD LYS 5 1HD LYS 5 4.228 -8.188 0.327 52 1HE LYS 5 2HE LYS 5 5.433 -9.635 1.776 53 2HE LYS 5 1HE LYS 5 4.507 -9.113 3.197 54 1HZ LYS 5 2HZ LYS 5 2.489 -9.961 2.068 55 2HZ LYS 5 1HZ LYS 5 3.477 -10.616 0.851 56 3HZ LYS 5 3HZ LYS 5 3.607 -11.184 2.443 57 QB LYS 5 QB LYS 5 4.869 -5.553 0.444 58 QG LYS 5 QG LYS 5 5.058 -6.817 2.448 59 QD LYS 5 QD LYS 5 3.583 -8.066 0.916 60 QE LYS 5 QE LYS 5 4.970 -9.374 2.486 61 QZ LYS 5 QZ LYS 5 3.191 -10.587 1.787 62 H LEU 6 H LEU 6 5.039 -2.977 0.699 63 HA LEU 6 HA LEU 6 3.425 -1.906 -1.506 64 1HB LEU 6 2HB LEU 6 2.310 -0.964 0.472 65 2HB LEU 6 1HB LEU 6 3.852 -0.360 1.076 66 HG LEU 6 HG LEU 6 4.010 0.941 -1.151 67 1HD1 LEU 6 1HD1 LEU 6 1.137 0.018 -1.162 68 2HD1 LEU 6 3HD1 LEU 6 1.638 1.490 -1.994 69 3HD1 LEU 6 2HD1 LEU 6 2.318 -0.067 -2.469 70 1HD2 LEU 6 2HD2 LEU 6 3.315 1.771 1.227 71 2HD2 LEU 6 1HD2 LEU 6 2.974 2.802 -0.162 72 3HD2 LEU 6 3HD2 LEU 6 1.689 1.828 0.549 73 QB LEU 6 QB LEU 6 3.081 -0.662 0.774 74 QD1 LEU 6 QD1 LEU 6 1.698 0.481 -1.875 75 QD2 LEU 6 QD2 LEU 6 2.659 2.134 0.538 76 QQD LEU 6 QQD LEU 6 2.179 1.307 -0.669 77 H ILE 7 H ILE 7 5.185 -1.889 -2.909 78 HA ILE 7 HA ILE 7 7.828 -0.924 -2.025 79 HB ILE 7 HB ILE 7 6.727 -1.748 -4.739 80 1HG1 ILE 7 2HG1 ILE 7 6.616 -3.571 -3.071 81 2HG1 ILE 7 1HG1 ILE 7 7.844 -3.907 -4.289 82 1HG2 ILE 7 2HG2 ILE 7 9.389 -0.845 -3.770 83 2HG2 ILE 7 1HG2 ILE 7 9.385 -2.233 -4.860 84 3HG2 ILE 7 3HG2 ILE 7 8.666 -0.706 -5.373 85 1HD1 ILE 7 3HD1 ILE 7 9.585 -3.027 -2.736 86 2HD1 ILE 7 2HD1 ILE 7 8.339 -2.788 -1.511 87 3HD1 ILE 7 1HD1 ILE 7 8.731 -4.416 -2.064 88 QG1 ILE 7 QG1 ILE 7 7.230 -3.739 -3.680 89 QG2 ILE 7 QG2 ILE 7 9.147 -1.262 -4.668 90 QD1 ILE 7 QD1 ILE 7 8.885 -3.411 -2.104 91 H ILE 8 H ILE 8 8.080 1.270 -1.882 92 HA ILE 8 HA ILE 8 6.353 3.047 -3.485 93 HB ILE 8 HB ILE 8 8.591 3.875 -1.635 94 1HG1 ILE 8 2HG1 ILE 8 6.664 2.119 -0.718 95 2HG1 ILE 8 1HG1 ILE 8 7.480 3.297 0.285 96 1HG2 ILE 8 1HG2 ILE 8 5.996 5.091 -2.594 97 2HG2 ILE 8 3HG2 ILE 8 6.917 5.766 -1.247 98 3HG2 ILE 8 2HG2 ILE 8 7.644 5.680 -2.852 99 1HD1 ILE 8 3HD1 ILE 8 4.973 4.062 -1.179 100 2HD1 ILE 8 2HD1 ILE 8 4.871 3.159 0.330 101 3HD1 ILE 8 1HD1 ILE 8 5.643 4.743 0.299 102 QG1 ILE 8 QG1 ILE 8 7.072 2.708 -0.216 103 QG2 ILE 8 QG2 ILE 8 6.852 5.512 -2.231 104 QD1 ILE 8 QD1 ILE 8 5.163 3.988 -0.183 105 H ASN 9 H ASN 9 7.060 3.490 -5.573 106 HA ASN 9 HA ASN 9 9.922 3.317 -6.271 107 1HB ASN 9 2HB ASN 9 7.822 4.445 -8.105 108 2HB ASN 9 1HB ASN 9 9.190 3.420 -8.495 109 1HD2 ASN 9 2HD2 ASN 9 5.701 1.651 -8.272 110 2HD2 ASN 9 1HD2 ASN 9 5.997 3.265 -8.710 111 QB ASN 9 QB ASN 9 8.506 3.933 -8.300 112 QD2 ASN 9 QD2 ASN 9 5.849 2.458 -8.491 113 H GLY 10 H GLY 10 10.095 5.434 -8.138 114 1HA GLY 10 2HA GLY 10 10.681 7.702 -8.256 115 2HA GLY 10 1HA GLY 10 9.320 7.993 -7.174 116 QA GLY 10 QA GLY 10 10.000 7.848 -7.715 117 H LYS 11 H LYS 11 10.799 9.671 -6.257 118 HA LYS 11 HA LYS 11 12.833 8.490 -4.394 119 1HB LYS 11 2HB LYS 11 13.855 10.759 -4.517 120 2HB LYS 11 1HB LYS 11 13.721 10.011 -6.107 121 1HG LYS 11 2HG LYS 11 11.865 11.363 -6.710 122 2HG LYS 11 1HG LYS 11 11.578 11.853 -5.040 123 1HD LYS 11 2HD LYS 11 13.617 13.158 -5.005 124 2HD LYS 11 1HD LYS 11 14.084 12.550 -6.593 125 1HE LYS 11 2HE LYS 11 11.657 13.554 -7.227 126 2HE LYS 11 1HE LYS 11 12.089 14.644 -5.892 127 1HZ LYS 11 1HZ LYS 11 13.852 13.966 -8.187 128 2HZ LYS 11 3HZ LYS 11 12.993 15.418 -8.022 129 3HZ LYS 11 2HZ LYS 11 14.227 15.033 -6.920 130 QB LYS 11 QB LYS 11 13.788 10.385 -5.312 131 QG LYS 11 QG LYS 11 11.722 11.608 -5.875 132 QD LYS 11 QD LYS 11 13.850 12.854 -5.799 133 QE LYS 11 QE LYS 11 11.873 14.099 -6.559 134 QZ LYS 11 QZ LYS 11 13.690 14.806 -7.710 135 H THR 12 H THR 12 9.854 8.820 -3.970 136 HA THR 12 HA THR 12 9.361 11.031 -2.197 137 HB THR 12 HB THR 12 7.357 9.689 -1.612 138 HG1 THR 12 1HG THR 12 7.407 7.620 -1.849 139 1HG2 THR 12 1HG2 THR 12 7.813 10.899 -3.917 140 2HG2 THR 12 3HG2 THR 12 7.769 9.250 -4.544 141 3HG2 THR 12 2HG2 THR 12 6.370 9.909 -3.695 142 QG2 THR 12 QG2 THR 12 7.317 10.019 -4.052 143 H LEU 13 H LEU 13 9.232 7.663 -1.099 144 HA LEU 13 HA LEU 13 11.037 8.387 1.171 145 1HB LEU 13 2HB LEU 13 9.450 7.272 2.687 146 2HB LEU 13 1HB LEU 13 8.639 8.554 1.790 147 HG LEU 13 HG LEU 13 8.065 6.640 0.104 148 1HD1 LEU 13 1HD1 LEU 13 9.232 5.206 2.392 149 2HD1 LEU 13 3HD1 LEU 13 7.608 4.642 1.997 150 3HD1 LEU 13 2HD1 LEU 13 8.872 4.615 0.772 151 1HD2 LEU 13 3HD2 LEU 13 6.656 7.983 1.949 152 2HD2 LEU 13 2HD2 LEU 13 5.949 6.646 1.041 153 3HD2 LEU 13 1HD2 LEU 13 6.559 6.378 2.672 154 QB LEU 13 QB LEU 13 9.045 7.913 2.238 155 QD1 LEU 13 QD1 LEU 13 8.571 4.821 1.720 156 QD2 LEU 13 QD2 LEU 13 6.388 7.002 1.887 157 QQD LEU 13 QQD LEU 13 7.479 5.912 1.804 158 H LYS 14 H LYS 14 9.850 5.899 -1.034 159 HA LYS 14 HA LYS 14 10.684 3.780 -1.594 160 1HB LYS 14 2HB LYS 14 13.110 5.138 -0.386 161 2HB LYS 14 1HB LYS 14 13.186 3.590 -1.224 162 1HG LYS 14 2HG LYS 14 12.033 4.749 -3.185 163 2HG LYS 14 1HG LYS 14 12.362 6.269 -2.354 164 1HD LYS 14 2HD LYS 14 14.689 6.025 -2.556 165 2HD LYS 14 1HD LYS 14 14.577 4.284 -2.822 166 1HE LYS 14 2HE LYS 14 13.369 4.814 -5.010 167 2HE LYS 14 1HE LYS 14 13.862 6.501 -4.763 168 1HZ LYS 14 3HZ LYS 14 16.159 5.682 -4.448 169 2HZ LYS 14 2HZ LYS 14 15.642 4.125 -4.887 170 3HZ LYS 14 1HZ LYS 14 15.567 5.397 -6.010 171 QB LYS 14 QB LYS 14 13.148 4.364 -0.805 172 QG LYS 14 QG LYS 14 12.197 5.509 -2.770 173 QD LYS 14 QD LYS 14 14.633 5.155 -2.689 174 QE LYS 14 QE LYS 14 13.615 5.658 -4.887 175 QZ LYS 14 QZ LYS 14 15.789 5.068 -5.115 176 H GLY 15 H GLY 15 9.885 2.051 -0.475 177 1HA GLY 15 2HA GLY 15 11.212 0.774 1.631 178 2HA GLY 15 1HA GLY 15 10.032 1.832 2.404 179 QA GLY 15 QA GLY 15 10.622 1.303 2.018 180 H GLU 16 H GLU 16 9.916 -0.971 2.610 181 HA GLU 16 HA GLU 16 7.382 -1.570 1.118 182 1HB GLU 16 2HB GLU 16 9.392 -2.730 0.210 183 2HB GLU 16 1HB GLU 16 9.688 -3.421 1.806 184 1HG GLU 16 2HG GLU 16 7.099 -4.138 1.479 185 2HG GLU 16 1HG GLU 16 7.619 -4.129 -0.206 186 QB GLU 16 QB GLU 16 9.540 -3.076 1.008 187 QG GLU 16 QG GLU 16 7.359 -4.134 0.636 188 H ILE 17 H ILE 17 7.017 -0.461 3.521 189 HA ILE 17 HA ILE 17 7.248 -2.132 5.840 190 HB ILE 17 HB ILE 17 5.269 0.067 5.133 191 1HG1 ILE 17 2HG1 ILE 17 7.618 0.549 6.896 192 2HG1 ILE 17 1HG1 ILE 17 7.972 0.310 5.186 193 1HG2 ILE 17 1HG2 ILE 17 4.939 -1.544 7.223 194 2HG2 ILE 17 3HG2 ILE 17 6.199 -0.528 7.920 195 3HG2 ILE 17 2HG2 ILE 17 4.685 0.193 7.377 196 1HD1 ILE 17 3HD1 ILE 17 5.729 2.148 5.927 197 2HD1 ILE 17 2HD1 ILE 17 7.384 2.724 6.123 198 3HD1 ILE 17 1HD1 ILE 17 6.812 2.206 4.536 199 QG1 ILE 17 QG1 ILE 17 7.795 0.430 6.041 200 QG2 ILE 17 QG2 ILE 17 5.274 -0.626 7.507 201 QD1 ILE 17 QD1 ILE 17 6.642 2.359 5.528 202 H THR 18 H THR 18 6.340 -4.152 5.897 203 HA THR 18 HA THR 18 3.948 -4.880 4.394 204 HB THR 18 HB THR 18 4.314 -7.044 5.552 205 HG1 THR 18 1HG THR 18 4.907 -6.419 7.563 206 1HG2 THR 18 3HG2 THR 18 6.057 -5.790 3.786 207 2HG2 THR 18 2HG2 THR 18 7.120 -6.384 5.061 208 3HG2 THR 18 1HG2 THR 18 6.066 -7.504 4.201 209 QG2 THR 18 QG2 THR 18 6.414 -6.559 4.349 210 H ILE 19 H ILE 19 1.844 -5.199 5.229 211 HA ILE 19 HA ILE 19 1.368 -4.683 8.126 212 HB ILE 19 HB ILE 19 -0.299 -2.934 7.548 213 1HG1 ILE 19 2HG1 ILE 19 0.246 -2.097 5.012 214 2HG1 ILE 19 1HG1 ILE 19 0.411 -3.840 4.811 215 1HG2 ILE 19 3HG2 ILE 19 2.161 -2.433 7.983 216 2HG2 ILE 19 2HG2 ILE 19 2.352 -2.299 6.235 217 3HG2 ILE 19 1HG2 ILE 19 1.277 -1.194 7.092 218 1HD1 ILE 19 3HD1 ILE 19 -1.852 -3.890 6.188 219 2HD1 ILE 19 2HD1 ILE 19 -2.006 -2.242 5.579 220 3HD1 ILE 19 1HD1 ILE 19 -1.871 -3.590 4.449 221 QG1 ILE 19 QG1 ILE 19 0.328 -2.968 4.912 222 QG2 ILE 19 QG2 ILE 19 1.930 -1.976 7.103 223 QD1 ILE 19 QD1 ILE 19 -1.910 -3.241 5.405 224 H GLU 20 H GLU 20 -0.255 -5.995 8.884 225 HA GLU 20 HA GLU 20 -1.587 -7.862 7.080 226 1HB GLU 20 2HB GLU 20 -2.559 -8.684 9.213 227 2HB GLU 20 1HB GLU 20 -0.815 -8.468 9.338 228 1HG GLU 20 2HG GLU 20 -2.274 -6.026 10.034 229 2HG GLU 20 1HG GLU 20 -2.732 -7.386 11.056 230 QB GLU 20 QB GLU 20 -1.687 -8.576 9.276 231 QG GLU 20 QG GLU 20 -2.503 -6.706 10.545 232 H ALA 21 H ALA 21 -3.893 -8.008 6.762 233 HA ALA 21 HA ALA 21 -5.696 -5.927 7.738 234 1HB ALA 21 1HB ALA 21 -4.524 -5.889 4.950 235 2HB ALA 21 3HB ALA 21 -6.052 -5.090 5.323 236 3HB ALA 21 2HB ALA 21 -4.569 -4.578 6.129 237 QB ALA 21 QB ALA 21 -5.048 -5.186 5.467 238 H VAL 22 H VAL 22 -7.905 -6.260 6.853 239 HA VAL 22 HA VAL 22 -8.772 -8.928 6.760 240 HB VAL 22 HB VAL 22 -10.183 -6.964 7.217 241 1HG1 VAL 22 3HG1 VAL 22 -8.994 -5.634 5.309 242 2HG1 VAL 22 2HG1 VAL 22 -10.225 -6.349 4.270 243 3HG1 VAL 22 1HG1 VAL 22 -10.701 -5.322 5.620 244 1HG2 VAL 22 2HG2 VAL 22 -11.074 -9.176 6.143 245 2HG2 VAL 22 1HG2 VAL 22 -12.142 -7.774 6.207 246 3HG2 VAL 22 3HG2 VAL 22 -11.313 -8.183 4.705 247 QG1 VAL 22 QG1 VAL 22 -9.973 -5.768 5.066 248 QG2 VAL 22 QG2 VAL 22 -11.509 -8.377 5.685 249 QQG VAL 22 QQG VAL 22 -10.741 -7.073 5.376 250 H ASP 23 H ASP 23 -7.910 -6.763 4.078 251 HA ASP 23 HA ASP 23 -7.313 -9.028 2.325 252 1HB ASP 23 2HB ASP 23 -9.048 -8.366 0.641 253 2HB ASP 23 1HB ASP 23 -9.751 -8.948 2.146 254 QB ASP 23 QB ASP 23 -9.400 -8.657 1.394 255 H ALA 24 H ALA 24 -6.829 -8.018 -0.005 256 HA ALA 24 HA ALA 24 -4.772 -6.062 0.301 257 1HB ALA 24 2HB ALA 24 -5.470 -7.828 -1.593 258 2HB ALA 24 1HB ALA 24 -6.194 -6.387 -2.310 259 3HB ALA 24 3HB ALA 24 -4.464 -6.425 -1.961 260 QB ALA 24 QB ALA 24 -5.376 -6.880 -1.954 261 H ALA 25 H ALA 25 -8.219 -5.759 -0.379 262 HA ALA 25 HA ALA 25 -8.363 -3.138 -1.405 263 1HB ALA 25 3HB ALA 25 -10.124 -4.895 0.280 264 2HB ALA 25 2HB ALA 25 -10.633 -3.246 -0.080 265 3HB ALA 25 1HB ALA 25 -10.347 -4.388 -1.393 266 QB ALA 25 QB ALA 25 -10.368 -4.176 -0.398 267 H GLU 26 H GLU 26 -8.479 -4.200 2.012 268 HA GLU 26 HA GLU 26 -8.518 -1.536 3.131 269 1HB GLU 26 2HB GLU 26 -8.296 -4.343 3.989 270 2HB GLU 26 1HB GLU 26 -7.397 -3.234 5.025 271 1HG GLU 26 2HG GLU 26 -9.672 -3.442 5.875 272 2HG GLU 26 1HG GLU 26 -9.449 -1.819 5.220 273 QB GLU 26 QB GLU 26 -7.846 -3.788 4.507 274 QG GLU 26 QG GLU 26 -9.560 -2.631 5.548 275 H ALA 27 H ALA 27 -5.921 -3.902 2.504 276 HA ALA 27 HA ALA 27 -3.709 -2.519 3.599 277 1HB ALA 27 3HB ALA 27 -4.185 -4.454 1.362 278 2HB ALA 27 2HB ALA 27 -2.590 -3.708 1.482 279 3HB ALA 27 1HB ALA 27 -3.227 -4.655 2.829 280 QB ALA 27 QB ALA 27 -3.334 -4.272 1.891 281 H GLU 28 H GLU 28 -5.082 -2.279 0.298 282 HA GLU 28 HA GLU 28 -3.300 -0.313 -0.739 283 1HB GLU 28 2HB GLU 28 -5.185 -1.762 -1.828 284 2HB GLU 28 1HB GLU 28 -6.248 -0.430 -1.376 285 1HG GLU 28 2HG GLU 28 -4.483 1.087 -2.531 286 2HG GLU 28 1HG GLU 28 -3.908 -0.397 -3.287 287 QB GLU 28 QB GLU 28 -5.716 -1.096 -1.602 288 QG GLU 28 QG GLU 28 -4.196 0.345 -2.909 289 H LYS 29 H LYS 29 -6.251 -0.017 1.222 290 HA LYS 29 HA LYS 29 -6.424 2.877 1.100 291 1HB LYS 29 2HB LYS 29 -7.428 0.833 3.116 292 2HB LYS 29 1HB LYS 29 -7.976 2.505 3.020 293 1HG LYS 29 2HG LYS 29 -8.126 1.209 0.414 294 2HG LYS 29 1HG LYS 29 -9.038 0.307 1.623 295 1HD LYS 29 2HD LYS 29 -10.612 1.868 0.855 296 2HD LYS 29 1HD LYS 29 -9.981 2.638 2.312 297 1HE LYS 29 2HE LYS 29 -8.722 4.202 1.100 298 2HE LYS 29 1HE LYS 29 -8.678 3.184 -0.352 299 1HZ LYS 29 1HZ LYS 29 -11.172 4.313 0.796 300 2HZ LYS 29 3HZ LYS 29 -10.312 5.045 -0.470 301 3HZ LYS 29 2HZ LYS 29 -10.997 3.505 -0.689 302 QB LYS 29 QB LYS 29 -7.702 1.669 3.068 303 QG LYS 29 QG LYS 29 -8.582 0.758 1.018 304 QD LYS 29 QD LYS 29 -10.297 2.253 1.583 305 QE LYS 29 QE LYS 29 -8.700 3.693 0.374 306 QZ LYS 29 QZ LYS 29 -10.827 4.288 -0.121 307 H ILE 30 H ILE 30 -5.245 0.615 3.618 308 HA ILE 30 HA ILE 30 -4.202 2.539 5.443 309 HB ILE 30 HB ILE 30 -3.256 -0.269 4.741 310 1HG1 ILE 30 2HG1 ILE 30 -4.971 0.390 7.105 311 2HG1 ILE 30 1HG1 ILE 30 -5.736 0.326 5.518 312 1HG2 ILE 30 1HG2 ILE 30 -1.728 1.265 6.171 313 2HG2 ILE 30 3HG2 ILE 30 -2.973 1.113 7.412 314 3HG2 ILE 30 2HG2 ILE 30 -2.134 -0.322 6.824 315 1HD1 ILE 30 2HD1 ILE 30 -3.904 -1.921 6.029 316 2HD1 ILE 30 1HD1 ILE 30 -5.278 -1.859 7.135 317 3HD1 ILE 30 3HD1 ILE 30 -5.550 -1.931 5.394 318 QG1 ILE 30 QG1 ILE 30 -5.354 0.358 6.312 319 QG2 ILE 30 QG2 ILE 30 -2.278 0.685 6.802 320 QD1 ILE 30 QD1 ILE 30 -4.911 -1.904 6.186 321 H PHE 31 H PHE 31 -2.818 1.014 2.570 322 HA PHE 31 HA PHE 31 -0.179 2.220 2.855 323 1HB PHE 31 2HB PHE 31 -1.737 0.650 0.819 324 2HB PHE 31 1HB PHE 31 -0.257 1.458 0.304 325 HD1 PHE 31 1HD PHE 31 1.587 1.241 2.460 326 HD2 PHE 31 2HD PHE 31 -1.356 -1.611 1.180 327 HE1 PHE 31 1HE PHE 31 2.933 -0.589 3.457 328 HE2 PHE 31 2HE PHE 31 -0.009 -3.444 2.178 329 1HZ PHE 31 HZ PHE 31 2.134 -2.932 3.315 330 QB PHE 31 QB PHE 31 -0.997 1.054 0.561 331 QG PHE 31 QD PHE 31 0.115 -0.185 1.820 332 QZ PHE 31 QE PHE 31 1.462 -2.017 2.817 333 QZ PHE 31 QR PHE 31 1.058 -1.467 2.518 334 H LYS 32 H LYS 32 -3.180 2.971 1.121 335 HA LYS 32 HA LYS 32 -2.091 5.244 -0.297 336 1HB LYS 32 2HB LYS 32 -4.802 4.044 0.150 337 2HB LYS 32 1HB LYS 32 -4.637 5.602 -0.652 338 1HG LYS 32 2HG LYS 32 -3.228 4.659 -2.367 339 2HG LYS 32 1HG LYS 32 -3.145 3.113 -1.522 340 1HD LYS 32 2HD LYS 32 -4.773 2.936 -3.326 341 2HD LYS 32 1HD LYS 32 -5.628 2.900 -1.784 342 1HE LYS 32 2HE LYS 32 -6.414 5.125 -2.030 343 2HE LYS 32 1HE LYS 32 -5.218 5.494 -3.288 344 1HZ LYS 32 3HZ LYS 32 -7.389 3.477 -3.518 345 2HZ LYS 32 2HZ LYS 32 -7.394 5.008 -4.254 346 3HZ LYS 32 1HZ LYS 32 -6.246 3.844 -4.715 347 QB LYS 32 QB LYS 32 -4.720 4.823 -0.251 348 QG LYS 32 QG LYS 32 -3.186 3.886 -1.944 349 QD LYS 32 QD LYS 32 -5.201 2.918 -2.555 350 QE LYS 32 QE LYS 32 -5.816 5.310 -2.659 351 QZ LYS 32 QZ LYS 32 -7.009 4.110 -4.162 352 H GLN 33 H GLN 33 -2.670 4.890 2.954 353 HA GLN 33 HA GLN 33 -3.664 7.719 3.289 354 1HB GLN 33 2HB GLN 33 -4.862 5.785 4.427 355 2HB GLN 33 1HB GLN 33 -3.369 5.453 5.306 356 1HG GLN 33 2HG GLN 33 -3.546 7.357 6.607 357 2HG GLN 33 1HG GLN 33 -4.438 8.244 5.371 358 1HE2 GLN 33 2HE2 GLN 33 -7.621 7.124 6.476 359 2HE2 GLN 33 1HE2 GLN 33 -6.763 7.923 5.249 360 QB GLN 33 QB GLN 33 -4.116 5.619 4.866 361 QG GLN 33 QG GLN 33 -3.992 7.800 5.989 362 QE2 GLN 33 QE2 GLN 33 -7.192 7.524 5.862 363 H TYR 34 H TYR 34 -1.382 5.284 4.282 364 HA TYR 34 HA TYR 34 0.547 6.713 5.759 365 1HB TYR 34 2HB TYR 34 0.602 4.359 5.660 366 2HB TYR 34 1HB TYR 34 0.329 4.340 3.911 367 HD1 TYR 34 1HD TYR 34 2.251 4.942 2.378 368 HD2 TYR 34 2HD TYR 34 2.802 4.412 6.604 369 HE1 TYR 34 1HE TYR 34 4.695 4.730 2.032 370 HE2 TYR 34 2HE TYR 34 5.250 4.197 6.256 371 HH TYR 34 HH TYR 34 6.931 4.901 4.567 372 QB TYR 34 QB TYR 34 0.465 4.349 4.785 373 QG TYR 34 QD TYR 34 2.527 4.677 4.491 374 QZ TYR 34 QE TYR 34 4.972 4.463 4.144 375 QR TYR 34 QR TYR 34 3.749 4.570 4.317 376 H ALA 35 H ALA 35 0.308 6.145 2.229 377 HA ALA 35 HA ALA 35 2.636 7.539 1.344 378 1HB ALA 35 1HB ALA 35 -0.040 6.768 0.228 379 2HB ALA 35 3HB ALA 35 0.974 7.865 -0.709 380 3HB ALA 35 2HB ALA 35 1.569 6.258 -0.282 381 QB ALA 35 QB ALA 35 0.834 6.964 -0.254 382 H ASN 36 H ASN 36 -0.735 8.720 1.676 383 HA ASN 36 HA ASN 36 -0.322 11.406 0.860 384 1HB ASN 36 2HB ASN 36 -2.250 9.911 2.589 385 2HB ASN 36 1HB ASN 36 -2.324 11.672 2.580 386 1HD2 ASN 36 2HD2 ASN 36 -2.900 9.858 -1.073 387 2HD2 ASN 36 1HD2 ASN 36 -1.703 9.252 -0.033 388 QB ASN 36 QB ASN 36 -2.287 10.791 2.584 389 QD2 ASN 36 QD2 ASN 36 -2.301 9.555 -0.553 390 H ASP 37 H ASP 37 -0.296 10.066 4.186 391 HA ASP 37 HA ASP 37 0.344 12.441 5.580 392 1HB ASP 37 2HB ASP 37 0.913 9.512 6.025 393 2HB ASP 37 1HB ASP 37 1.376 10.727 7.217 394 QB ASP 37 QB ASP 37 1.144 10.119 6.621 395 H ASN 38 H ASN 38 2.364 10.413 3.624 396 HA ASN 38 HA ASN 38 4.828 11.696 4.583 397 1HB ASN 38 2HB ASN 38 4.049 9.256 3.054 398 2HB ASN 38 1HB ASN 38 5.666 9.911 2.786 399 1HD2 ASN 38 2HD2 ASN 38 4.986 7.772 6.099 400 2HD2 ASN 38 1HD2 ASN 38 3.925 7.809 4.775 401 QB ASN 38 QB ASN 38 4.858 9.584 2.920 402 QD2 ASN 38 QD2 ASN 38 4.456 7.790 5.437 403 H GLY 39 H GLY 39 2.671 11.624 1.821 404 1HA GLY 39 2HA GLY 39 2.620 13.556 0.298 405 2HA GLY 39 1HA GLY 39 4.366 13.702 0.505 406 QA GLY 39 QA GLY 39 3.493 13.629 0.402 407 H ILE 40 H ILE 40 2.687 10.646 0.001 408 HA ILE 40 HA ILE 40 4.276 10.238 -2.482 409 HB ILE 40 HB ILE 40 3.094 8.621 -0.282 410 1HG1 ILE 40 2HG1 ILE 40 5.270 7.400 -0.650 411 2HG1 ILE 40 1HG1 ILE 40 5.634 8.589 -1.902 412 1HG2 ILE 40 1HG2 ILE 40 2.054 7.613 -2.349 413 2HG2 ILE 40 3HG2 ILE 40 3.688 7.324 -2.950 414 3HG2 ILE 40 2HG2 ILE 40 3.134 6.532 -1.472 415 1HD1 ILE 40 1HD1 ILE 40 4.895 9.326 0.936 416 2HD1 ILE 40 3HD1 ILE 40 6.566 9.170 0.372 417 3HD1 ILE 40 2HD1 ILE 40 5.507 10.398 -0.330 418 QG1 ILE 40 QG1 ILE 40 5.452 7.995 -1.276 419 QG2 ILE 40 QG2 ILE 40 2.959 7.156 -2.257 420 QD1 ILE 40 QD1 ILE 40 5.656 9.631 0.326 421 H ASP 41 H ASP 41 3.224 10.790 -4.306 422 HA ASP 41 HA ASP 41 0.507 9.750 -4.826 423 1HB ASP 41 2HB ASP 41 -0.370 12.042 -5.299 424 2HB ASP 41 1HB ASP 41 0.082 11.828 -3.609 425 QB ASP 41 QB ASP 41 -0.144 11.935 -4.454 426 H GLY 42 H GLY 42 1.128 8.721 -6.724 427 1HA GLY 42 2HA GLY 42 1.567 10.307 -9.094 428 2HA GLY 42 1HA GLY 42 3.052 9.499 -8.597 429 QA GLY 42 QA GLY 42 2.310 9.903 -8.846 430 H GLU 43 H GLU 43 2.113 7.062 -7.673 431 HA GLU 43 HA GLU 43 0.514 5.904 -9.922 432 1HB GLU 43 2HB GLU 43 3.016 5.870 -10.344 433 2HB GLU 43 1HB GLU 43 3.171 4.816 -8.936 434 1HG GLU 43 2HG GLU 43 1.716 3.153 -9.974 435 2HG GLU 43 1HG GLU 43 1.435 4.219 -11.351 436 QB GLU 43 QB GLU 43 3.093 5.343 -9.640 437 QG GLU 43 QG GLU 43 1.575 3.686 -10.663 438 H TRP 44 H TRP 44 -0.147 3.634 -9.427 439 HA TRP 44 HA TRP 44 0.091 2.572 -6.697 440 1HB TRP 44 2HB TRP 44 -2.322 4.103 -7.665 441 2HB TRP 44 1HB TRP 44 -2.569 2.684 -6.635 442 HD1 TRP 44 HD TRP 44 -1.620 6.292 -6.458 443 HE1 TRP 44 1HE TRP 44 -0.939 6.869 -4.034 444 HE3 TRP 44 3HE TRP 44 -1.399 1.603 -4.517 445 HZ2 TRP 44 2HZ TRP 44 -0.375 5.495 -1.580 446 HZ3 TRP 44 3HZ TRP 44 -0.789 1.254 -2.126 447 HH2 TRP 44 HH TRP 44 -0.274 3.193 -0.671 448 QB TRP 44 QB TRP 44 -2.445 3.393 -7.150 449 H THR 45 H THR 45 0.404 0.464 -7.317 450 HA THR 45 HA THR 45 -1.642 -0.767 -9.123 451 HB THR 45 HB THR 45 0.071 -1.829 -10.417 452 HG1 THR 45 1HG THR 45 2.100 -2.001 -9.755 453 1HG2 THR 45 3HG2 THR 45 -0.302 0.534 -11.004 454 2HG2 THR 45 2HG2 THR 45 0.953 1.014 -9.860 455 3HG2 THR 45 1HG2 THR 45 1.376 0.071 -11.292 456 QG2 THR 45 QG2 THR 45 0.676 0.539 -10.719 457 H TYR 46 H TYR 46 -2.397 -2.643 -8.277 458 HA TYR 46 HA TYR 46 -1.090 -3.723 -5.842 459 1HB TYR 46 2HB TYR 46 -3.456 -3.276 -5.709 460 2HB TYR 46 1HB TYR 46 -3.765 -4.160 -7.206 461 HD1 TYR 46 2HD TYR 46 -1.847 -4.859 -4.054 462 HD2 TYR 46 1HD TYR 46 -4.823 -6.213 -6.838 463 HE1 TYR 46 2HE TYR 46 -2.085 -6.964 -2.773 464 HE2 TYR 46 1HE TYR 46 -5.053 -8.328 -5.561 465 HH TYR 46 HH TYR 46 -2.873 -9.414 -3.396 466 QB TYR 46 QB TYR 46 -3.611 -3.718 -6.458 467 QG TYR 46 QD TYR 46 -3.335 -5.536 -5.446 468 QZ TYR 46 QE TYR 46 -3.569 -7.646 -4.167 469 QR TYR 46 QR TYR 46 -3.452 -6.591 -4.806 470 H ASP 47 H ASP 47 -0.264 -5.817 -5.744 471 HA ASP 47 HA ASP 47 -0.039 -7.288 -8.347 472 1HB ASP 47 2HB ASP 47 2.027 -6.275 -7.291 473 2HB ASP 47 1HB ASP 47 1.785 -7.362 -5.923 474 QB ASP 47 QB ASP 47 1.906 -6.818 -6.607 475 H ASP 48 H ASP 48 -1.814 -8.690 -8.115 476 HA ASP 48 HA ASP 48 -2.520 -10.030 -5.656 477 1HB ASP 48 2HB ASP 48 -4.009 -11.311 -7.181 478 2HB ASP 48 1HB ASP 48 -4.085 -9.577 -7.492 479 QB ASP 48 QB ASP 48 -4.047 -10.444 -7.336 480 H ALA 49 H ALA 49 0.130 -10.559 -7.686 481 HA ALA 49 HA ALA 49 0.208 -13.493 -7.358 482 1HB ALA 49 3HB ALA 49 0.976 -11.816 -9.333 483 2HB ALA 49 2HB ALA 49 2.490 -11.905 -8.432 484 3HB ALA 49 1HB ALA 49 1.753 -13.377 -9.066 485 QB ALA 49 QB ALA 49 1.739 -12.366 -8.944 486 H THR 50 H THR 50 1.601 -10.556 -6.001 487 HA THR 50 HA THR 50 3.171 -12.246 -4.082 488 HB THR 50 HB THR 50 4.820 -10.378 -4.121 489 HG1 THR 50 1HG THR 50 4.520 -8.712 -5.548 490 1HG2 THR 50 1HG2 THR 50 4.621 -12.374 -5.882 491 2HG2 THR 50 3HG2 THR 50 4.388 -11.031 -7.000 492 3HG2 THR 50 2HG2 THR 50 5.862 -11.128 -6.036 493 QG2 THR 50 QG2 THR 50 4.957 -11.511 -6.306 494 H LYS 51 H LYS 51 0.455 -10.422 -4.302 495 HA LYS 51 HA LYS 51 -0.805 -9.141 -2.774 496 1HB LYS 51 2HB LYS 51 1.129 -10.532 -0.885 497 2HB LYS 51 1HB LYS 51 -0.392 -9.778 -0.408 498 1HG LYS 51 2HG LYS 51 -0.588 -11.732 -2.630 499 2HG LYS 51 1HG LYS 51 -0.160 -12.411 -1.059 500 1HD LYS 51 2HD LYS 51 -2.116 -11.171 -0.071 501 2HD LYS 51 1HD LYS 51 -2.588 -10.718 -1.710 502 1HE LYS 51 2HE LYS 51 -3.834 -12.669 -1.478 503 2HE LYS 51 1HE LYS 51 -2.323 -13.371 -2.089 504 1HZ LYS 51 2HZ LYS 51 -2.962 -12.945 0.782 505 2HZ LYS 51 1HZ LYS 51 -3.066 -14.438 -0.019 506 3HZ LYS 51 3HZ LYS 51 -1.562 -13.679 0.162 507 QB LYS 51 QB LYS 51 0.368 -10.155 -0.647 508 QG LYS 51 QG LYS 51 -0.374 -12.071 -1.844 509 QD LYS 51 QD LYS 51 -2.352 -10.945 -0.890 510 QE LYS 51 QE LYS 51 -3.078 -13.020 -1.784 511 QZ LYS 51 QZ LYS 51 -2.530 -13.688 0.309 512 H THR 52 H THR 52 1.365 -7.767 -4.029 513 HA THR 52 HA THR 52 2.121 -5.844 -1.843 514 HB THR 52 HB THR 52 3.852 -6.610 -4.204 515 HG1 THR 52 1HG THR 52 3.742 -8.468 -3.112 516 1HG2 THR 52 3HG2 THR 52 4.131 -4.959 -1.736 517 2HG2 THR 52 2HG2 THR 52 5.544 -5.870 -2.268 518 3HG2 THR 52 1HG2 THR 52 4.796 -4.693 -3.348 519 QG2 THR 52 QG2 THR 52 4.823 -5.174 -2.451 520 H PHE 53 H PHE 53 1.782 -3.690 -2.370 521 HA PHE 53 HA PHE 53 0.551 -3.095 -4.994 522 1HB PHE 53 2HB PHE 53 0.912 -1.586 -2.393 523 2HB PHE 53 1HB PHE 53 0.119 -0.885 -3.804 524 HD1 PHE 53 2HD PHE 53 -0.019 -3.758 -1.423 525 HD2 PHE 53 1HD PHE 53 -2.161 -1.366 -4.288 526 HE1 PHE 53 2HE PHE 53 -2.140 -4.884 -0.780 527 HE2 PHE 53 1HE PHE 53 -4.269 -2.504 -3.646 528 1HZ PHE 53 HZ PHE 53 -4.258 -4.256 -1.895 529 QB PHE 53 QB PHE 53 0.516 -1.235 -3.099 530 QG PHE 53 QD PHE 53 -1.090 -2.562 -2.855 531 QZ PHE 53 QE PHE 53 -3.204 -3.694 -2.213 532 QZ PHE 53 QR PHE 53 -2.569 -3.353 -2.406 533 H THR 54 H THR 54 1.296 -0.516 -5.578 534 HA THR 54 HA THR 54 4.227 -0.225 -5.336 535 HB THR 54 HB THR 54 3.175 -0.222 -8.130 536 HG1 THR 54 1HG THR 54 3.819 -2.628 -6.779 537 1HG2 THR 54 3HG2 THR 54 5.626 0.088 -7.040 538 2HG2 THR 54 2HG2 THR 54 5.641 -1.653 -7.319 539 3HG2 THR 54 1HG2 THR 54 5.370 -0.547 -8.665 540 QG2 THR 54 QG2 THR 54 5.546 -0.704 -7.675 541 H VAL 55 H VAL 55 4.009 1.855 -4.546 542 HA VAL 55 HA VAL 55 2.383 3.744 -6.185 543 HB VAL 55 HB VAL 55 1.452 3.321 -3.976 544 1HG1 VAL 55 1HG1 VAL 55 4.245 4.019 -3.032 545 2HG1 VAL 55 3HG1 VAL 55 2.842 3.977 -1.957 546 3HG1 VAL 55 2HG1 VAL 55 3.358 2.507 -2.788 547 1HG2 VAL 55 2HG2 VAL 55 2.847 6.005 -4.192 548 2HG2 VAL 55 1HG2 VAL 55 1.210 5.612 -4.716 549 3HG2 VAL 55 3HG2 VAL 55 1.601 5.642 -2.995 550 QG1 VAL 55 QG1 VAL 55 3.481 3.501 -2.593 551 QG2 VAL 55 QG2 VAL 55 1.886 5.753 -3.968 552 QQG VAL 55 QQG VAL 55 2.684 4.627 -3.280 553 H THR 56 H THR 56 3.200 5.863 -6.496 554 HA THR 56 HA THR 56 5.937 6.515 -5.607 555 HB THR 56 HB THR 56 5.997 4.944 -7.632 556 HG1 THR 56 1HG THR 56 7.579 6.339 -8.674 557 1HG2 THR 56 2HG2 THR 56 4.129 6.709 -8.673 558 2HG2 THR 56 1HG2 THR 56 5.617 7.139 -9.516 559 3HG2 THR 56 3HG2 THR 56 5.015 5.481 -9.579 560 QG2 THR 56 QG2 THR 56 4.920 6.443 -9.256 561 H GLU 57 H GLU 57 6.418 8.561 -7.445 562 HA GLU 57 HA GLU 57 4.043 10.365 -7.118 563 1HB GLU 57 2HB GLU 57 5.798 10.736 -5.406 564 2HB GLU 57 1HB GLU 57 6.985 10.988 -6.684 565 1HG GLU 57 2HG GLU 57 4.477 12.629 -6.703 566 2HG GLU 57 1HG GLU 57 5.759 13.053 -5.569 567 QB GLU 57 QB GLU 57 6.391 10.862 -6.045 568 QG GLU 57 QG GLU 57 5.118 12.841 -6.136 No H/Q in entry = 568 Start of MODEL 12 1 1H MET 1 2HT MET 1 -0.294 -12.640 8.510 2 2H MET 1 1HT MET 1 -1.873 -12.430 9.103 3 3H MET 1 3HT MET 1 -0.913 -13.701 9.685 4 HA MET 1 HA MET 1 -1.015 -14.864 7.630 5 1HB MET 1 2HB MET 1 -3.125 -14.284 9.332 6 2HB MET 1 1HB MET 1 -3.821 -13.971 7.741 7 1HG MET 1 2HG MET 1 -4.226 -16.242 7.897 8 2HG MET 1 1HG MET 1 -2.626 -16.278 7.157 9 1HE MET 1 2HE MET 1 -1.475 -18.159 7.735 10 2HE MET 1 1HE MET 1 -1.492 -19.041 9.260 11 3HE MET 1 3HE MET 1 -2.961 -18.933 8.281 12 QB MET 1 QB MET 1 -3.473 -14.128 8.536 13 QG MET 1 QG MET 1 -3.426 -16.260 7.527 14 QE MET 1 QE MET 1 -1.976 -18.711 8.425 15 H THR 2 H THR 2 -2.646 -11.691 7.407 16 HA THR 2 HA THR 2 -2.279 -11.790 4.431 17 HB THR 2 HB THR 2 -4.251 -10.242 6.146 18 HG1 THR 2 1HG THR 2 -5.692 -11.796 5.556 19 1HG2 THR 2 2HG2 THR 2 -3.613 -10.317 3.242 20 2HG2 THR 2 1HG2 THR 2 -5.323 -10.295 3.674 21 3HG2 THR 2 3HG2 THR 2 -4.258 -8.998 4.219 22 QG2 THR 2 QG2 THR 2 -4.398 -9.870 3.712 23 H THR 3 H THR 3 -0.017 -11.026 5.700 24 HA THR 3 HA THR 3 0.086 -8.172 6.311 25 HB THR 3 HB THR 3 2.397 -9.989 5.615 26 HG1 THR 3 1HG THR 3 0.836 -9.899 7.977 27 1HG2 THR 3 2HG2 THR 3 2.483 -7.428 6.257 28 2HG2 THR 3 1HG2 THR 3 2.271 -8.050 7.894 29 3HG2 THR 3 3HG2 THR 3 3.660 -8.556 6.933 30 QG2 THR 3 QG2 THR 3 2.805 -8.011 7.028 31 H PHE 4 H PHE 4 -0.679 -7.097 4.409 32 HA PHE 4 HA PHE 4 0.443 -7.632 1.769 33 1HB PHE 4 2HB PHE 4 -1.429 -5.688 3.069 34 2HB PHE 4 1HB PHE 4 -0.780 -5.281 1.479 35 HD1 PHE 4 1HD PHE 4 -0.841 -7.236 -0.296 36 HD2 PHE 4 2HD PHE 4 -3.338 -7.028 3.191 37 HE1 PHE 4 1HE PHE 4 -2.448 -8.795 -1.356 38 HE2 PHE 4 2HE PHE 4 -4.948 -8.585 2.125 39 1HZ PHE 4 HZ PHE 4 -4.503 -9.471 -0.144 40 QB PHE 4 QB PHE 4 -1.105 -5.485 2.274 41 QG PHE 4 QD PHE 4 -2.090 -7.132 1.448 42 QZ PHE 4 QE PHE 4 -3.698 -8.690 0.385 43 QZ PHE 4 QR PHE 4 -3.216 -8.223 0.704 44 H LYS 5 H LYS 5 2.029 -6.424 0.687 45 HA LYS 5 HA LYS 5 3.679 -4.617 2.410 46 1HB LYS 5 2HB LYS 5 4.312 -6.115 -0.161 47 2HB LYS 5 1HB LYS 5 5.473 -5.228 0.823 48 1HG LYS 5 2HG LYS 5 4.540 -6.811 2.744 49 2HG LYS 5 1HG LYS 5 4.130 -7.844 1.375 50 1HD LYS 5 2HD LYS 5 6.883 -6.645 1.709 51 2HD LYS 5 1HD LYS 5 6.446 -8.202 2.413 52 1HE LYS 5 2HE LYS 5 5.939 -9.126 0.226 53 2HE LYS 5 1HE LYS 5 6.151 -7.539 -0.538 54 1HZ LYS 5 2HZ LYS 5 8.255 -8.892 1.060 55 2HZ LYS 5 1HZ LYS 5 8.161 -8.988 -0.633 56 3HZ LYS 5 3HZ LYS 5 8.424 -7.490 0.116 57 QB LYS 5 QB LYS 5 4.892 -5.672 0.331 58 QG LYS 5 QG LYS 5 4.335 -7.328 2.060 59 QD LYS 5 QD LYS 5 6.665 -7.423 2.061 60 QE LYS 5 QE LYS 5 6.045 -8.332 -0.156 61 QZ LYS 5 QZ LYS 5 8.280 -8.457 0.181 62 H LEU 6 H LEU 6 4.961 -3.007 0.808 63 HA LEU 6 HA LEU 6 3.304 -1.957 -1.392 64 1HB LEU 6 2HB LEU 6 2.206 -1.094 0.626 65 2HB LEU 6 1HB LEU 6 3.744 -0.475 1.224 66 HG LEU 6 HG LEU 6 3.758 0.802 -1.106 67 1HD1 LEU 6 2HD1 LEU 6 0.984 -0.205 -0.785 68 2HD1 LEU 6 1HD1 LEU 6 1.141 1.489 -1.248 69 3HD1 LEU 6 3HD1 LEU 6 1.862 0.231 -2.250 70 1HD2 LEU 6 1HD2 LEU 6 3.338 1.528 1.477 71 2HD2 LEU 6 3HD2 LEU 6 3.287 2.669 0.133 72 3HD2 LEU 6 2HD2 LEU 6 1.790 1.993 0.773 73 QB LEU 6 QB LEU 6 2.975 -0.785 0.925 74 QD1 LEU 6 QD1 LEU 6 1.329 0.505 -1.428 75 QD2 LEU 6 QD2 LEU 6 2.805 2.063 0.794 76 QQD LEU 6 QQD LEU 6 2.067 1.284 -0.317 77 H ILE 7 H ILE 7 4.968 -1.740 -2.855 78 HA ILE 7 HA ILE 7 7.649 -0.844 -1.999 79 HB ILE 7 HB ILE 7 6.461 -1.535 -4.714 80 1HG1 ILE 7 2HG1 ILE 7 8.290 -3.266 -3.044 81 2HG1 ILE 7 1HG1 ILE 7 6.538 -3.342 -2.855 82 1HG2 ILE 7 2HG2 ILE 7 8.718 -0.132 -4.337 83 2HG2 ILE 7 1HG2 ILE 7 9.371 -1.752 -4.098 84 3HG2 ILE 7 3HG2 ILE 7 8.572 -1.339 -5.614 85 1HD1 ILE 7 3HD1 ILE 7 7.951 -3.667 -5.514 86 2HD1 ILE 7 2HD1 ILE 7 7.473 -5.021 -4.491 87 3HD1 ILE 7 1HD1 ILE 7 6.245 -3.954 -5.172 88 QG1 ILE 7 QG1 ILE 7 7.414 -3.304 -2.949 89 QG2 ILE 7 QG2 ILE 7 8.887 -1.074 -4.683 90 QD1 ILE 7 QD1 ILE 7 7.223 -4.214 -5.059 91 H ILE 8 H ILE 8 8.145 1.330 -2.000 92 HA ILE 8 HA ILE 8 6.217 3.192 -3.226 93 HB ILE 8 HB ILE 8 8.774 3.948 -1.821 94 1HG1 ILE 8 2HG1 ILE 8 7.475 2.254 -0.428 95 2HG1 ILE 8 1HG1 ILE 8 7.706 3.816 0.333 96 1HG2 ILE 8 3HG2 ILE 8 6.128 5.216 -2.459 97 2HG2 ILE 8 2HG2 ILE 8 7.054 5.796 -1.069 98 3HG2 ILE 8 1HG2 ILE 8 7.761 5.857 -2.684 99 1HD1 ILE 8 3HD1 ILE 8 5.276 3.943 -1.143 100 2HD1 ILE 8 2HD1 ILE 8 5.251 2.445 -0.221 101 3HD1 ILE 8 1HD1 ILE 8 5.484 3.987 0.604 102 QG1 ILE 8 QG1 ILE 8 7.590 3.035 -0.047 103 QG2 ILE 8 QG2 ILE 8 6.981 5.623 -2.071 104 QD1 ILE 8 QD1 ILE 8 5.337 3.459 -0.253 105 H ASN 9 H ASN 9 6.525 3.475 -5.425 106 HA ASN 9 HA ASN 9 9.274 3.456 -6.546 107 1HB ASN 9 2HB ASN 9 7.373 2.202 -7.571 108 2HB ASN 9 1HB ASN 9 6.545 3.734 -7.850 109 1HD2 ASN 9 2HD2 ASN 9 8.333 4.391 -10.806 110 2HD2 ASN 9 1HD2 ASN 9 6.998 4.747 -9.820 111 QB ASN 9 QB ASN 9 6.959 2.968 -7.711 112 QD2 ASN 9 QD2 ASN 9 7.666 4.569 -10.313 113 H GLY 10 H GLY 10 9.122 5.631 -4.943 114 1HA GLY 10 2HA GLY 10 8.919 7.885 -6.883 115 2HA GLY 10 1HA GLY 10 8.149 8.038 -5.303 116 QA GLY 10 QA GLY 10 8.534 7.961 -6.093 117 H LYS 11 H LYS 11 9.402 9.430 -4.148 118 HA LYS 11 HA LYS 11 12.239 8.699 -3.676 119 1HB LYS 11 2HB LYS 11 12.948 11.016 -4.256 120 2HB LYS 11 1HB LYS 11 12.249 10.179 -5.640 121 1HG LYS 11 2HG LYS 11 10.172 11.349 -5.418 122 2HG LYS 11 1HG LYS 11 10.623 11.985 -3.837 123 1HD LYS 11 2HD LYS 11 12.515 12.635 -6.017 124 2HD LYS 11 1HD LYS 11 10.918 13.364 -6.181 125 1HE LYS 11 2HE LYS 11 11.949 14.972 -4.850 126 2HE LYS 11 1HE LYS 11 11.318 13.904 -3.580 127 1HZ LYS 11 1HZ LYS 11 13.966 13.487 -4.847 128 2HZ LYS 11 3HZ LYS 11 13.770 14.426 -3.449 129 3HZ LYS 11 2HZ LYS 11 13.363 12.776 -3.426 130 QB LYS 11 QB LYS 11 12.599 10.597 -4.948 131 QG LYS 11 QG LYS 11 10.397 11.667 -4.628 132 QD LYS 11 QD LYS 11 11.716 12.999 -6.099 133 QE LYS 11 QE LYS 11 11.633 14.438 -4.215 134 QZ LYS 11 QZ LYS 11 13.700 13.563 -3.907 135 H THR 12 H THR 12 10.220 8.429 -1.820 136 HA THR 12 HA THR 12 10.845 10.620 0.120 137 HB THR 12 HB THR 12 8.345 10.307 0.783 138 HG1 THR 12 1HG THR 12 7.070 9.556 -0.908 139 1HG2 THR 12 1HG2 THR 12 9.521 11.759 -1.532 140 2HG2 THR 12 3HG2 THR 12 7.760 11.708 -1.439 141 3HG2 THR 12 2HG2 THR 12 8.696 12.390 -0.108 142 QG2 THR 12 QG2 THR 12 8.659 11.952 -1.026 143 H LEU 13 H LEU 13 8.997 7.546 -0.065 144 HA LEU 13 HA LEU 13 10.045 6.766 2.604 145 1HB LEU 13 2HB LEU 13 7.845 5.909 0.741 146 2HB LEU 13 1HB LEU 13 8.348 4.839 2.048 147 HG LEU 13 HG LEU 13 7.640 7.737 2.516 148 1HD1 LEU 13 3HD1 LEU 13 5.887 5.408 2.026 149 2HD1 LEU 13 2HD1 LEU 13 5.521 6.304 3.502 150 3HD1 LEU 13 1HD1 LEU 13 5.523 7.132 1.948 151 1HD2 LEU 13 3HD2 LEU 13 8.967 6.082 4.134 152 2HD2 LEU 13 2HD2 LEU 13 7.770 7.211 4.768 153 3HD2 LEU 13 1HD2 LEU 13 7.336 5.521 4.504 154 QB LEU 13 QB LEU 13 8.096 5.374 1.395 155 QD1 LEU 13 QD1 LEU 13 5.643 6.281 2.492 156 QD2 LEU 13 QD2 LEU 13 8.024 6.271 4.469 157 QQD LEU 13 QQD LEU 13 6.834 6.276 3.480 158 H LYS 14 H LYS 14 9.681 5.256 -0.629 159 HA LYS 14 HA LYS 14 10.935 3.561 -1.692 160 1HB LYS 14 2HB LYS 14 12.960 5.103 -0.055 161 2HB LYS 14 1HB LYS 14 13.442 3.812 -1.158 162 1HG LYS 14 2HG LYS 14 11.858 5.168 -2.832 163 2HG LYS 14 1HG LYS 14 12.306 6.504 -1.770 164 1HD LYS 14 2HD LYS 14 14.520 6.443 -2.394 165 2HD LYS 14 1HD LYS 14 14.499 4.703 -2.682 166 1HE LYS 14 2HE LYS 14 12.932 5.274 -4.688 167 2HE LYS 14 1HE LYS 14 13.572 6.920 -4.505 168 1HZ LYS 14 1HZ LYS 14 15.295 4.507 -4.618 169 2HZ LYS 14 3HZ LYS 14 14.916 5.432 -5.987 170 3HZ LYS 14 2HZ LYS 14 15.782 6.133 -4.705 171 QB LYS 14 QB LYS 14 13.201 4.457 -0.607 172 QG LYS 14 QG LYS 14 12.082 5.836 -2.301 173 QD LYS 14 QD LYS 14 14.510 5.573 -2.538 174 QE LYS 14 QE LYS 14 13.252 6.097 -4.596 175 QZ LYS 14 QZ LYS 14 15.331 5.357 -5.103 176 H GLY 15 H GLY 15 9.762 1.884 -0.435 177 1HA GLY 15 2HA GLY 15 11.491 0.005 0.824 178 2HA GLY 15 1HA GLY 15 10.627 0.882 2.085 179 QA GLY 15 QA GLY 15 11.059 0.443 1.454 180 H GLU 16 H GLU 16 9.763 -1.401 2.441 181 HA GLU 16 HA GLU 16 7.507 -2.033 0.569 182 1HB GLU 16 2HB GLU 16 9.216 -3.645 2.474 183 2HB GLU 16 1HB GLU 16 7.731 -4.294 1.776 184 1HG GLU 16 2HG GLU 16 8.594 -4.318 -0.385 185 2HG GLU 16 1HG GLU 16 9.763 -3.043 -0.041 186 QB GLU 16 QB GLU 16 8.474 -3.969 2.125 187 QG GLU 16 QG GLU 16 9.178 -3.681 -0.213 188 H ILE 17 H ILE 17 8.341 -2.092 4.062 189 HA ILE 17 HA ILE 17 6.974 -1.825 5.975 190 HB ILE 17 HB ILE 17 5.450 -0.149 3.949 191 1HG1 ILE 17 2HG1 ILE 17 7.834 0.469 4.118 192 2HG1 ILE 17 1HG1 ILE 17 6.815 1.717 4.827 193 1HG2 ILE 17 3HG2 ILE 17 5.225 -0.529 6.894 194 2HG2 ILE 17 2HG2 ILE 17 5.096 1.124 6.293 195 3HG2 ILE 17 1HG2 ILE 17 3.982 -0.113 5.713 196 1HD1 ILE 17 3HD1 ILE 17 7.305 0.030 6.975 197 2HD1 ILE 17 2HD1 ILE 17 8.837 0.017 6.103 198 3HD1 ILE 17 1HD1 ILE 17 8.149 1.545 6.651 199 QG1 ILE 17 QG1 ILE 17 7.324 1.093 4.473 200 QG2 ILE 17 QG2 ILE 17 4.767 0.161 6.300 201 QD1 ILE 17 QD1 ILE 17 8.097 0.531 6.576 202 H THR 18 H THR 18 6.336 -4.122 5.833 203 HA THR 18 HA THR 18 3.913 -4.921 4.424 204 HB THR 18 HB THR 18 4.339 -7.046 5.609 205 HG1 THR 18 1HG THR 18 5.564 -7.110 7.335 206 1HG2 THR 18 2HG2 THR 18 5.981 -5.867 3.755 207 2HG2 THR 18 1HG2 THR 18 7.122 -6.268 5.039 208 3HG2 THR 18 3HG2 THR 18 6.135 -7.534 4.310 209 QG2 THR 18 QG2 THR 18 6.413 -6.556 4.368 210 H ILE 19 H ILE 19 1.831 -4.890 5.198 211 HA ILE 19 HA ILE 19 1.397 -4.490 8.133 212 HB ILE 19 HB ILE 19 -0.273 -2.744 7.591 213 1HG1 ILE 19 2HG1 ILE 19 0.141 -1.882 5.069 214 2HG1 ILE 19 1HG1 ILE 19 0.389 -3.609 4.816 215 1HG2 ILE 19 1HG2 ILE 19 2.179 -2.217 7.964 216 2HG2 ILE 19 3HG2 ILE 19 2.351 -2.133 6.211 217 3HG2 ILE 19 2HG2 ILE 19 1.289 -1.001 7.049 218 1HD1 ILE 19 2HD1 ILE 19 -1.842 -3.714 6.326 219 2HD1 ILE 19 1HD1 ILE 19 -2.086 -2.138 5.572 220 3HD1 ILE 19 3HD1 ILE 19 -1.894 -3.575 4.568 221 QG1 ILE 19 QG1 ILE 19 0.265 -2.745 4.942 222 QG2 ILE 19 QG2 ILE 19 1.940 -1.784 7.075 223 QD1 ILE 19 QD1 ILE 19 -1.941 -3.142 5.488 224 H GLU 20 H GLU 20 -0.388 -5.598 8.928 225 HA GLU 20 HA GLU 20 -1.619 -7.618 7.193 226 1HB GLU 20 2HB GLU 20 -0.880 -7.493 9.797 227 2HB GLU 20 1HB GLU 20 -2.592 -7.099 9.956 228 1HG GLU 20 2HG GLU 20 -1.870 -9.393 8.190 229 2HG GLU 20 1HG GLU 20 -1.735 -9.633 9.931 230 QB GLU 20 QB GLU 20 -1.736 -7.296 9.876 231 QG GLU 20 QG GLU 20 -1.802 -9.513 9.060 232 H ALA 21 H ALA 21 -3.873 -7.749 6.720 233 HA ALA 21 HA ALA 21 -5.732 -5.648 7.573 234 1HB ALA 21 3HB ALA 21 -4.300 -5.651 4.947 235 2HB ALA 21 2HB ALA 21 -5.990 -5.149 4.956 236 3HB ALA 21 1HB ALA 21 -4.808 -4.285 5.941 237 QB ALA 21 QB ALA 21 -5.033 -5.028 5.282 238 H VAL 22 H VAL 22 -7.920 -6.056 6.672 239 HA VAL 22 HA VAL 22 -8.739 -8.743 6.698 240 HB VAL 22 HB VAL 22 -10.183 -6.781 7.059 241 1HG1 VAL 22 2HG1 VAL 22 -9.023 -5.522 5.099 242 2HG1 VAL 22 1HG1 VAL 22 -10.214 -6.328 4.079 243 3HG1 VAL 22 3HG1 VAL 22 -10.744 -5.245 5.365 244 1HG2 VAL 22 3HG2 VAL 22 -11.136 -8.991 6.270 245 2HG2 VAL 22 2HG2 VAL 22 -12.140 -7.589 5.905 246 3HG2 VAL 22 1HG2 VAL 22 -11.157 -8.322 4.638 247 QG1 VAL 22 QG1 VAL 22 -9.993 -5.698 4.847 248 QG2 VAL 22 QG2 VAL 22 -11.478 -8.301 5.604 249 QQG VAL 22 QQG VAL 22 -10.736 -7.000 5.226 250 H ASP 23 H ASP 23 -7.913 -6.679 3.925 251 HA ASP 23 HA ASP 23 -7.355 -9.048 2.262 252 1HB ASP 23 2HB ASP 23 -9.749 -7.253 1.979 253 2HB ASP 23 1HB ASP 23 -9.011 -7.922 0.522 254 QB ASP 23 QB ASP 23 -9.380 -7.588 1.250 255 H ALA 24 H ALA 24 -6.715 -8.136 -0.061 256 HA ALA 24 HA ALA 24 -4.602 -6.235 0.287 257 1HB ALA 24 3HB ALA 24 -5.255 -8.066 -1.574 258 2HB ALA 24 2HB ALA 24 -5.862 -6.626 -2.391 259 3HB ALA 24 1HB ALA 24 -4.163 -6.725 -1.923 260 QB ALA 24 QB ALA 24 -5.093 -7.139 -1.963 261 H ALA 25 H ALA 25 -7.974 -5.905 -0.723 262 HA ALA 25 HA ALA 25 -7.982 -3.299 -1.792 263 1HB ALA 25 1HB ALA 25 -9.885 -4.877 -1.778 264 2HB ALA 25 3HB ALA 25 -10.024 -4.693 -0.029 265 3HB ALA 25 2HB ALA 25 -10.362 -3.325 -1.090 266 QB ALA 25 QB ALA 25 -10.090 -4.299 -0.965 267 H GLU 26 H GLU 26 -8.465 -4.316 1.598 268 HA GLU 26 HA GLU 26 -8.615 -1.677 2.725 269 1HB GLU 26 2HB GLU 26 -9.144 -4.104 3.629 270 2HB GLU 26 1HB GLU 26 -7.465 -4.062 4.163 271 1HG GLU 26 2HG GLU 26 -8.536 -3.161 6.022 272 2HG GLU 26 1HG GLU 26 -8.148 -1.695 5.119 273 QB GLU 26 QB GLU 26 -8.305 -4.083 3.896 274 QG GLU 26 QG GLU 26 -8.342 -2.428 5.570 275 H ALA 27 H ALA 27 -5.892 -3.943 2.260 276 HA ALA 27 HA ALA 27 -3.810 -2.504 3.518 277 1HB ALA 27 2HB ALA 27 -4.132 -4.536 1.402 278 2HB ALA 27 1HB ALA 27 -2.638 -3.604 1.272 279 3HB ALA 27 3HB ALA 27 -2.998 -4.495 2.753 280 QB ALA 27 QB ALA 27 -3.256 -4.212 1.809 281 H GLU 28 H GLU 28 -5.028 -2.220 0.166 282 HA GLU 28 HA GLU 28 -3.233 -0.203 -0.746 283 1HB GLU 28 2HB GLU 28 -5.084 -1.673 -1.918 284 2HB GLU 28 1HB GLU 28 -6.131 -0.302 -1.554 285 1HG GLU 28 2HG GLU 28 -4.054 1.051 -2.580 286 2HG GLU 28 1HG GLU 28 -3.821 -0.473 -3.443 287 QB GLU 28 QB GLU 28 -5.608 -0.987 -1.736 288 QG GLU 28 QG GLU 28 -3.938 0.289 -3.012 289 H LYS 29 H LYS 29 -6.272 0.011 1.098 290 HA LYS 29 HA LYS 29 -6.509 2.897 1.022 291 1HB LYS 29 2HB LYS 29 -7.444 0.854 3.072 292 2HB LYS 29 1HB LYS 29 -8.070 2.489 2.905 293 1HG LYS 29 2HG LYS 29 -8.175 0.392 0.722 294 2HG LYS 29 1HG LYS 29 -9.512 0.759 1.805 295 1HD LYS 29 2HD LYS 29 -8.177 2.761 -0.040 296 2HD LYS 29 1HD LYS 29 -9.696 1.940 -0.378 297 1HE LYS 29 2HE LYS 29 -9.178 3.806 1.970 298 2HE LYS 29 1HE LYS 29 -10.168 4.166 0.546 299 1HZ LYS 29 3HZ LYS 29 -11.404 2.035 1.127 300 2HZ LYS 29 2HZ LYS 29 -10.654 2.140 2.648 301 3HZ LYS 29 1HZ LYS 29 -11.686 3.380 2.121 302 QB LYS 29 QB LYS 29 -7.757 1.672 2.988 303 QG LYS 29 QG LYS 29 -8.844 0.575 1.263 304 QD LYS 29 QD LYS 29 -8.937 2.350 -0.209 305 QE LYS 29 QE LYS 29 -9.673 3.986 1.258 306 QZ LYS 29 QZ LYS 29 -11.248 2.518 1.965 307 H ILE 30 H ILE 30 -5.303 0.645 3.521 308 HA ILE 30 HA ILE 30 -4.289 2.556 5.367 309 HB ILE 30 HB ILE 30 -3.374 -0.252 4.625 310 1HG1 ILE 30 2HG1 ILE 30 -5.090 0.605 6.963 311 2HG1 ILE 30 1HG1 ILE 30 -5.793 0.196 5.398 312 1HG2 ILE 30 1HG2 ILE 30 -2.609 1.616 6.855 313 2HG2 ILE 30 3HG2 ILE 30 -2.679 -0.118 7.172 314 3HG2 ILE 30 2HG2 ILE 30 -1.593 0.509 5.932 315 1HD1 ILE 30 2HD1 ILE 30 -3.813 -1.743 6.456 316 2HD1 ILE 30 1HD1 ILE 30 -5.333 -1.638 7.345 317 3HD1 ILE 30 3HD1 ILE 30 -5.342 -2.032 5.626 318 QG1 ILE 30 QG1 ILE 30 -5.441 0.400 6.180 319 QG2 ILE 30 QG2 ILE 30 -2.294 0.669 6.653 320 QD1 ILE 30 QD1 ILE 30 -4.829 -1.804 6.476 321 H PHE 31 H PHE 31 -2.827 1.065 2.499 322 HA PHE 31 HA PHE 31 -0.221 2.326 2.833 323 1HB PHE 31 2HB PHE 31 -1.712 0.803 0.697 324 2HB PHE 31 1HB PHE 31 -0.173 1.575 0.312 325 HD1 PHE 31 1HD PHE 31 1.495 1.243 2.601 326 HD2 PHE 31 2HD PHE 31 -1.424 -1.481 1.017 327 HE1 PHE 31 1HE PHE 31 2.711 -0.657 3.634 328 HE2 PHE 31 2HE PHE 31 -0.208 -3.382 2.049 329 1HZ PHE 31 HZ PHE 31 1.858 -2.970 3.356 330 QB PHE 31 QB PHE 31 -0.943 1.189 0.505 331 QG PHE 31 QD PHE 31 0.036 -0.119 1.809 332 QZ PHE 31 QE PHE 31 1.252 -2.019 2.842 333 QZ PHE 31 QR PHE 31 0.887 -1.449 2.532 334 H LYS 32 H LYS 32 -3.223 3.061 1.123 335 HA LYS 32 HA LYS 32 -2.195 5.319 -0.350 336 1HB LYS 32 2HB LYS 32 -4.877 4.132 0.262 337 2HB LYS 32 1HB LYS 32 -4.769 5.701 -0.537 338 1HG LYS 32 2HG LYS 32 -3.114 3.422 -1.565 339 2HG LYS 32 1HG LYS 32 -4.826 3.501 -1.985 340 1HD LYS 32 2HD LYS 32 -2.898 5.804 -2.383 341 2HD LYS 32 1HD LYS 32 -3.306 4.643 -3.645 342 1HE LYS 32 2HE LYS 32 -5.758 5.249 -3.238 343 2HE LYS 32 1HE LYS 32 -5.156 6.611 -2.272 344 1HZ LYS 32 2HZ LYS 32 -3.730 7.218 -4.175 345 2HZ LYS 32 1HZ LYS 32 -4.477 6.005 -5.101 346 3HZ LYS 32 3HZ LYS 32 -5.385 7.322 -4.542 347 QB LYS 32 QB LYS 32 -4.823 4.916 -0.137 348 QG LYS 32 QG LYS 32 -3.970 3.462 -1.775 349 QD LYS 32 QD LYS 32 -3.102 5.223 -3.014 350 QE LYS 32 QE LYS 32 -5.457 5.930 -2.755 351 QZ LYS 32 QZ LYS 32 -4.531 6.848 -4.606 352 H GLN 33 H GLN 33 -2.766 4.950 2.947 353 HA GLN 33 HA GLN 33 -3.533 7.848 3.299 354 1HB GLN 33 2HB GLN 33 -4.902 6.025 4.411 355 2HB GLN 33 1HB GLN 33 -3.450 5.534 5.285 356 1HG GLN 33 2HG GLN 33 -3.393 7.496 6.558 357 2HG GLN 33 1HG GLN 33 -4.363 8.396 5.393 358 1HE2 GLN 33 2HE2 GLN 33 -7.103 7.837 7.564 359 2HE2 GLN 33 1HE2 GLN 33 -6.065 8.984 6.865 360 QB GLN 33 QB GLN 33 -4.176 5.779 4.848 361 QG GLN 33 QG GLN 33 -3.878 7.946 5.975 362 QE2 GLN 33 QE2 GLN 33 -6.584 8.410 7.215 363 H TYR 34 H TYR 34 -1.451 5.232 4.288 364 HA TYR 34 HA TYR 34 0.575 6.457 5.806 365 1HB TYR 34 2HB TYR 34 0.501 4.116 5.603 366 2HB TYR 34 1HB TYR 34 0.180 4.185 3.866 367 HD1 TYR 34 1HD TYR 34 2.883 5.115 6.338 368 HD2 TYR 34 2HD TYR 34 1.934 3.566 2.446 369 HE1 TYR 34 1HE TYR 34 5.293 4.714 5.909 370 HE2 TYR 34 2HE TYR 34 4.343 3.165 2.018 371 HH TYR 34 HH TYR 34 6.398 2.856 3.231 372 QB TYR 34 QB TYR 34 0.340 4.151 4.735 373 QG TYR 34 QD TYR 34 2.408 4.340 4.392 374 QZ TYR 34 QE TYR 34 4.818 3.940 3.963 375 QR TYR 34 QR TYR 34 3.613 4.140 4.178 376 H ALA 35 H ALA 35 -0.024 6.438 2.331 377 HA ALA 35 HA ALA 35 2.466 7.522 1.364 378 1HB ALA 35 1HB ALA 35 -0.317 7.048 0.453 379 2HB ALA 35 3HB ALA 35 0.518 8.366 -0.378 380 3HB ALA 35 2HB ALA 35 1.205 6.736 -0.381 381 QB ALA 35 QB ALA 35 0.468 7.383 -0.102 382 H ASN 36 H ASN 36 -0.719 9.116 1.618 383 HA ASN 36 HA ASN 36 0.102 11.802 1.327 384 1HB ASN 36 2HB ASN 36 -2.174 10.454 2.790 385 2HB ASN 36 1HB ASN 36 -2.079 12.206 2.610 386 1HD2 ASN 36 2HD2 ASN 36 -3.056 9.895 -0.613 387 2HD2 ASN 36 1HD2 ASN 36 -2.552 9.174 0.839 388 QB ASN 36 QB ASN 36 -2.126 11.330 2.700 389 QD2 ASN 36 QD2 ASN 36 -2.804 9.535 0.113 390 H ASP 37 H ASP 37 -0.238 9.871 4.305 391 HA ASP 37 HA ASP 37 0.177 11.800 6.282 392 1HB ASP 37 2HB ASP 37 -0.007 9.081 6.135 393 2HB ASP 37 1HB ASP 37 1.681 9.275 6.605 394 QB ASP 37 QB ASP 37 0.837 9.178 6.370 395 H ASN 38 H ASN 38 2.501 10.512 4.041 396 HA ASN 38 HA ASN 38 4.701 11.964 5.382 397 1HB ASN 38 2HB ASN 38 4.425 9.572 3.627 398 2HB ASN 38 1HB ASN 38 5.923 10.496 3.502 399 1HD2 ASN 38 2HD2 ASN 38 7.183 8.833 6.333 400 2HD2 ASN 38 1HD2 ASN 38 7.450 9.393 4.754 401 QB ASN 38 QB ASN 38 5.174 10.034 3.564 402 QD2 ASN 38 QD2 ASN 38 7.316 9.113 5.543 403 H GLY 39 H GLY 39 3.548 11.267 2.073 404 1HA GLY 39 2HA GLY 39 3.045 13.611 0.914 405 2HA GLY 39 1HA GLY 39 4.798 13.757 1.082 406 QA GLY 39 QA GLY 39 3.922 13.684 0.998 407 H ILE 40 H ILE 40 2.450 11.263 0.067 408 HA ILE 40 HA ILE 40 4.321 10.495 -2.153 409 HB ILE 40 HB ILE 40 2.301 9.103 -0.424 410 1HG1 ILE 40 2HG1 ILE 40 4.952 9.797 0.071 411 2HG1 ILE 40 1HG1 ILE 40 4.009 8.626 0.970 412 1HG2 ILE 40 3HG2 ILE 40 2.292 8.159 -2.721 413 2HG2 ILE 40 2HG2 ILE 40 4.018 7.829 -2.559 414 3HG2 ILE 40 1HG2 ILE 40 2.859 7.010 -1.506 415 1HD1 ILE 40 1HD1 ILE 40 5.539 7.870 -1.511 416 2HD1 ILE 40 3HD1 ILE 40 6.284 7.861 0.090 417 3HD1 ILE 40 2HD1 ILE 40 4.904 6.811 -0.245 418 QG1 ILE 40 QG1 ILE 40 4.481 9.212 0.520 419 QG2 ILE 40 QG2 ILE 40 3.056 7.666 -2.262 420 QD1 ILE 40 QD1 ILE 40 5.576 7.514 -0.555 421 H ASP 41 H ASP 41 3.440 10.625 -4.245 422 HA ASP 41 HA ASP 41 0.568 10.400 -4.742 423 1HB ASP 41 2HB ASP 41 1.363 12.807 -3.796 424 2HB ASP 41 1HB ASP 41 1.628 13.067 -5.521 425 QB ASP 41 QB ASP 41 1.495 12.937 -4.658 426 H GLY 42 H GLY 42 0.875 9.057 -6.493 427 1HA GLY 42 2HA GLY 42 1.848 10.197 -8.980 428 2HA GLY 42 1HA GLY 42 2.925 8.946 -8.359 429 QA GLY 42 QA GLY 42 2.387 9.571 -8.670 430 H GLU 43 H GLU 43 2.399 6.842 -8.787 431 HA GLU 43 HA GLU 43 -0.337 6.298 -9.911 432 1HB GLU 43 2HB GLU 43 2.047 6.103 -11.162 433 2HB GLU 43 1HB GLU 43 1.978 4.497 -10.437 434 1HG GLU 43 2HG GLU 43 0.095 3.879 -11.649 435 2HG GLU 43 1HG GLU 43 -0.448 5.545 -11.850 436 QB GLU 43 QB GLU 43 2.013 5.300 -10.799 437 QG GLU 43 QG GLU 43 -0.176 4.712 -11.749 438 H TRP 44 H TRP 44 -0.819 3.795 -9.664 439 HA TRP 44 HA TRP 44 0.206 2.607 -7.121 440 1HB TRP 44 2HB TRP 44 -2.539 3.739 -7.641 441 2HB TRP 44 1HB TRP 44 -2.375 2.326 -6.594 442 HD1 TRP 44 HD TRP 44 -1.400 6.018 -6.816 443 HE1 TRP 44 1HE TRP 44 -0.683 6.804 -4.466 444 HE3 TRP 44 3HE TRP 44 -1.467 1.553 -4.363 445 HZ2 TRP 44 2HZ TRP 44 -0.200 5.678 -1.881 446 HZ3 TRP 44 3HZ TRP 44 -0.874 1.437 -1.950 447 HH2 TRP 44 HH TRP 44 -0.237 3.493 -0.715 448 QB TRP 44 QB TRP 44 -2.457 3.033 -7.117 449 H THR 45 H THR 45 0.391 0.438 -7.451 450 HA THR 45 HA THR 45 -1.532 -0.918 -9.293 451 HB THR 45 HB THR 45 0.207 -1.890 -10.586 452 HG1 THR 45 1HG THR 45 1.771 -2.539 -9.332 453 1HG2 THR 45 1HG2 THR 45 -0.109 0.511 -11.082 454 2HG2 THR 45 3HG2 THR 45 1.167 0.902 -9.926 455 3HG2 THR 45 2HG2 THR 45 1.550 -0.006 -11.392 456 QG2 THR 45 QG2 THR 45 0.870 0.469 -10.800 457 H TYR 46 H TYR 46 -2.173 -2.861 -8.472 458 HA TYR 46 HA TYR 46 -0.879 -3.782 -5.951 459 1HB TYR 46 2HB TYR 46 -3.246 -3.375 -5.814 460 2HB TYR 46 1HB TYR 46 -3.553 -4.295 -7.290 461 HD1 TYR 46 2HD TYR 46 -1.588 -4.931 -4.151 462 HD2 TYR 46 1HD TYR 46 -4.626 -6.324 -6.847 463 HE1 TYR 46 2HE TYR 46 -1.808 -7.011 -2.824 464 HE2 TYR 46 1HE TYR 46 -4.840 -8.411 -5.522 465 HH TYR 46 HH TYR 46 -4.391 -9.145 -3.164 466 QB TYR 46 QB TYR 46 -3.399 -3.835 -6.552 467 QG TYR 46 QD TYR 46 -3.107 -5.628 -5.499 468 QZ TYR 46 QE TYR 46 -3.324 -7.711 -4.173 469 QR TYR 46 QR TYR 46 -3.216 -6.670 -4.836 470 H ASP 47 H ASP 47 -0.170 -5.948 -5.732 471 HA ASP 47 HA ASP 47 0.104 -7.500 -8.286 472 1HB ASP 47 2HB ASP 47 1.964 -7.237 -5.898 473 2HB ASP 47 1HB ASP 47 2.263 -8.263 -7.301 474 QB ASP 47 QB ASP 47 2.113 -7.750 -6.599 475 H ASP 48 H ASP 48 -1.649 -8.909 -7.950 476 HA ASP 48 HA ASP 48 -2.301 -10.125 -5.417 477 1HB ASP 48 2HB ASP 48 -3.782 -9.748 -7.433 478 2HB ASP 48 1HB ASP 48 -2.946 -11.093 -8.211 479 QB ASP 48 QB ASP 48 -3.364 -10.420 -7.822 480 H ALA 49 H ALA 49 0.307 -10.739 -7.491 481 HA ALA 49 HA ALA 49 0.450 -13.642 -6.952 482 1HB ALA 49 1HB ALA 49 1.937 -11.601 -8.596 483 2HB ALA 49 3HB ALA 49 2.664 -13.179 -8.288 484 3HB ALA 49 2HB ALA 49 1.120 -13.069 -9.134 485 QB ALA 49 QB ALA 49 1.907 -12.616 -8.673 486 H THR 50 H THR 50 1.829 -10.592 -5.866 487 HA THR 50 HA THR 50 3.526 -12.105 -3.907 488 HB THR 50 HB THR 50 5.071 -10.156 -4.105 489 HG1 THR 50 1HG THR 50 4.638 -8.681 -5.792 490 1HG2 THR 50 3HG2 THR 50 5.052 -12.255 -5.658 491 2HG2 THR 50 2HG2 THR 50 4.493 -11.124 -6.891 492 3HG2 THR 50 1HG2 THR 50 6.053 -10.872 -6.105 493 QG2 THR 50 QG2 THR 50 5.199 -11.417 -6.218 494 H LYS 51 H LYS 51 0.725 -10.391 -4.130 495 HA LYS 51 HA LYS 51 -0.541 -9.094 -2.622 496 1HB LYS 51 2HB LYS 51 1.495 -10.324 -0.729 497 2HB LYS 51 1HB LYS 51 -0.044 -9.611 -0.244 498 1HG LYS 51 2HG LYS 51 -0.007 -11.789 -2.316 499 2HG LYS 51 1HG LYS 51 0.116 -12.208 -0.607 500 1HD LYS 51 2HD LYS 51 -1.952 -10.814 -0.205 501 2HD LYS 51 1HD LYS 51 -2.115 -10.667 -1.956 502 1HE LYS 51 2HE LYS 51 -3.352 -12.586 -1.770 503 2HE LYS 51 1HE LYS 51 -1.773 -13.389 -1.650 504 1HZ LYS 51 3HZ LYS 51 -3.287 -12.259 0.645 505 2HZ LYS 51 2HZ LYS 51 -3.214 -13.910 0.253 506 3HZ LYS 51 1HZ LYS 51 -1.808 -13.084 0.730 507 QB LYS 51 QB LYS 51 0.726 -9.967 -0.487 508 QG LYS 51 QG LYS 51 0.055 -11.998 -1.462 509 QD LYS 51 QD LYS 51 -2.034 -10.741 -1.081 510 QE LYS 51 QE LYS 51 -2.563 -12.988 -1.710 511 QZ LYS 51 QZ LYS 51 -2.770 -13.084 0.543 512 H THR 52 H THR 52 1.636 -7.751 -3.989 513 HA THR 52 HA THR 52 2.385 -5.719 -1.898 514 HB THR 52 HB THR 52 3.984 -6.466 -4.356 515 HG1 THR 52 1HG THR 52 4.272 -7.425 -1.704 516 1HG2 THR 52 3HG2 THR 52 4.439 -4.843 -1.868 517 2HG2 THR 52 2HG2 THR 52 5.807 -5.573 -2.708 518 3HG2 THR 52 1HG2 THR 52 4.772 -4.417 -3.546 519 QG2 THR 52 QG2 THR 52 5.006 -4.944 -2.707 520 H PHE 53 H PHE 53 2.129 -3.552 -2.485 521 HA PHE 53 HA PHE 53 0.668 -3.042 -5.027 522 1HB PHE 53 2HB PHE 53 1.026 -1.578 -2.407 523 2HB PHE 53 1HB PHE 53 0.227 -0.831 -3.792 524 HD1 PHE 53 1HD PHE 53 0.091 -3.710 -1.434 525 HD2 PHE 53 2HD PHE 53 -2.022 -1.419 -4.401 526 HE1 PHE 53 1HE PHE 53 -2.018 -4.892 -0.850 527 HE2 PHE 53 2HE PHE 53 -4.116 -2.602 -3.815 528 1HZ PHE 53 HZ PHE 53 -4.114 -4.338 -2.047 529 QB PHE 53 QB PHE 53 0.626 -1.205 -3.099 530 QG PHE 53 QD PHE 53 -0.965 -2.564 -2.917 531 QZ PHE 53 QE PHE 53 -3.067 -3.747 -2.332 532 QZ PHE 53 QR PHE 53 -2.436 -3.392 -2.509 533 H THR 54 H THR 54 1.304 -0.364 -5.552 534 HA THR 54 HA THR 54 4.225 -0.008 -5.454 535 HB THR 54 HB THR 54 2.966 -0.074 -8.182 536 HG1 THR 54 1HG THR 54 2.413 -2.075 -7.417 537 1HG2 THR 54 1HG2 THR 54 5.683 -0.303 -6.953 538 2HG2 THR 54 3HG2 THR 54 5.399 -1.065 -8.517 539 3HG2 THR 54 2HG2 THR 54 5.153 0.670 -8.325 540 QG2 THR 54 QG2 THR 54 5.412 -0.233 -7.932 541 H VAL 55 H VAL 55 3.605 1.916 -4.405 542 HA VAL 55 HA VAL 55 1.846 3.801 -5.821 543 HB VAL 55 HB VAL 55 1.459 3.594 -3.476 544 1HG1 VAL 55 3HG1 VAL 55 4.436 4.058 -3.145 545 2HG1 VAL 55 2HG1 VAL 55 3.281 4.158 -1.818 546 3HG1 VAL 55 1HG1 VAL 55 3.497 2.633 -2.676 547 1HG2 VAL 55 2HG2 VAL 55 1.437 5.921 -4.430 548 2HG2 VAL 55 1HG2 VAL 55 1.740 5.865 -2.693 549 3HG2 VAL 55 3HG2 VAL 55 3.074 6.134 -3.813 550 QG1 VAL 55 QG1 VAL 55 3.738 3.617 -2.546 551 QG2 VAL 55 QG2 VAL 55 2.084 5.973 -3.645 552 QQG VAL 55 QQG VAL 55 2.911 4.795 -3.096 553 H THR 56 H THR 56 2.955 4.574 -7.573 554 HA THR 56 HA THR 56 5.729 5.499 -7.419 555 HB THR 56 HB THR 56 3.487 5.324 -9.420 556 HG1 THR 56 1HG THR 56 4.771 3.587 -9.356 557 1HG2 THR 56 1HG2 THR 56 6.027 6.921 -9.874 558 2HG2 THR 56 3HG2 THR 56 4.880 6.457 -11.132 559 3HG2 THR 56 2HG2 THR 56 4.382 7.563 -9.851 560 QG2 THR 56 QG2 THR 56 5.097 6.981 -10.285 561 H GLU 57 H GLU 57 6.138 7.884 -8.134 562 HA GLU 57 HA GLU 57 4.155 9.692 -6.783 563 1HB GLU 57 2HB GLU 57 6.310 9.194 -5.561 564 2HB GLU 57 1HB GLU 57 7.177 9.946 -6.900 565 1HG GLU 57 2HG GLU 57 6.107 12.068 -6.502 566 2HG GLU 57 1HG GLU 57 5.008 11.351 -5.323 567 QB GLU 57 QB GLU 57 6.744 9.570 -6.231 568 QG GLU 57 QG GLU 57 5.557 11.709 -5.912 No H/Q in entry = 568 Start of MODEL 13 1 1H MET 1 1HT MET 1 -0.052 -14.173 6.279 2 2H MET 1 3HT MET 1 -1.116 -13.618 7.479 3 3H MET 1 2HT MET 1 -0.507 -15.203 7.552 4 HA MET 1 HA MET 1 -1.758 -15.874 5.650 5 1HB MET 1 2HB MET 1 -2.712 -15.318 8.095 6 2HB MET 1 1HB MET 1 -3.703 -14.190 7.170 7 1HG MET 1 2HG MET 1 -3.421 -17.104 6.415 8 2HG MET 1 1HG MET 1 -4.693 -16.519 7.488 9 1HE MET 1 1HE MET 1 -6.673 -17.190 6.162 10 2HE MET 1 3HE MET 1 -6.842 -17.030 4.409 11 3HE MET 1 2HE MET 1 -5.581 -18.059 5.085 12 QB MET 1 QB MET 1 -3.208 -14.754 7.632 13 QG MET 1 QG MET 1 -4.057 -16.812 6.951 14 QE MET 1 QE MET 1 -6.365 -17.426 5.219 15 H THR 2 H THR 2 -2.332 -12.416 6.384 16 HA THR 2 HA THR 2 -2.773 -11.948 3.458 17 HB THR 2 HB THR 2 -4.361 -10.784 5.769 18 HG1 THR 2 1HG THR 2 -5.652 -12.417 5.538 19 1HG2 THR 2 1HG2 THR 2 -4.263 -10.319 2.842 20 2HG2 THR 2 3HG2 THR 2 -5.875 -10.465 3.540 21 3HG2 THR 2 2HG2 THR 2 -4.763 -9.234 4.140 22 QG2 THR 2 QG2 THR 2 -4.967 -10.006 3.507 23 H THR 3 H THR 3 -0.395 -11.493 5.162 24 HA THR 3 HA THR 3 -0.199 -8.706 5.906 25 HB THR 3 HB THR 3 2.082 -10.501 5.073 26 HG1 THR 3 1HG THR 3 1.486 -11.853 6.538 27 1HG2 THR 3 1HG2 THR 3 2.163 -8.001 5.986 28 2HG2 THR 3 3HG2 THR 3 1.996 -8.820 7.541 29 3HG2 THR 3 2HG2 THR 3 3.359 -9.199 6.487 30 QG2 THR 3 QG2 THR 3 2.506 -8.673 6.671 31 H PHE 4 H PHE 4 -0.601 -7.206 4.297 32 HA PHE 4 HA PHE 4 0.383 -7.625 1.545 33 1HB PHE 4 2HB PHE 4 -1.273 -5.571 3.018 34 2HB PHE 4 1HB PHE 4 -0.755 -5.305 1.353 35 HD1 PHE 4 2HD PHE 4 -1.133 -7.397 -0.257 36 HD2 PHE 4 1HD PHE 4 -3.312 -6.639 3.364 37 HE1 PHE 4 2HE PHE 4 -2.976 -8.846 -1.062 38 HE2 PHE 4 1HE PHE 4 -5.155 -8.084 2.556 39 1HZ PHE 4 HZ PHE 4 -4.989 -9.190 0.342 40 QB PHE 4 QB PHE 4 -1.014 -5.438 2.185 41 QG PHE 4 QD PHE 4 -2.222 -7.018 1.554 42 QZ PHE 4 QE PHE 4 -4.065 -8.465 0.747 43 QZ PHE 4 QR PHE 4 -3.513 -8.031 0.989 44 H LYS 5 H LYS 5 2.113 -6.518 0.643 45 HA LYS 5 HA LYS 5 3.756 -4.838 2.496 46 1HB LYS 5 2HB LYS 5 4.416 -6.263 -0.112 47 2HB LYS 5 1HB LYS 5 5.578 -5.424 0.913 48 1HG LYS 5 2HG LYS 5 5.887 -7.431 1.919 49 2HG LYS 5 1HG LYS 5 4.336 -7.128 2.702 50 1HD LYS 5 2HD LYS 5 3.152 -8.433 1.120 51 2HD LYS 5 1HD LYS 5 4.494 -8.412 -0.025 52 1HE LYS 5 2HE LYS 5 5.838 -9.823 1.466 53 2HE LYS 5 1HE LYS 5 4.545 -9.798 2.681 54 1HZ LYS 5 2HZ LYS 5 4.178 -10.711 -0.122 55 2HZ LYS 5 1HZ LYS 5 4.455 -11.760 1.186 56 3HZ LYS 5 3HZ LYS 5 3.048 -10.814 1.144 57 QB LYS 5 QB LYS 5 4.997 -5.843 0.400 58 QG LYS 5 QG LYS 5 5.111 -7.279 2.311 59 QD LYS 5 QD LYS 5 3.823 -8.422 0.547 60 QE LYS 5 QE LYS 5 5.191 -9.810 2.073 61 QZ LYS 5 QZ LYS 5 3.893 -11.095 0.736 62 H LEU 6 H LEU 6 5.167 -3.238 0.846 63 HA LEU 6 HA LEU 6 3.486 -2.083 -1.279 64 1HB LEU 6 2HB LEU 6 2.421 -1.244 0.772 65 2HB LEU 6 1HB LEU 6 3.978 -0.669 1.366 66 HG LEU 6 HG LEU 6 3.995 0.662 -0.935 67 1HD1 LEU 6 3HD1 LEU 6 1.191 -0.261 -0.589 68 2HD1 LEU 6 2HD1 LEU 6 1.422 1.421 -1.065 69 3HD1 LEU 6 1HD1 LEU 6 2.078 0.127 -2.064 70 1HD2 LEU 6 2HD2 LEU 6 3.615 1.339 1.668 71 2HD2 LEU 6 1HD2 LEU 6 3.588 2.508 0.349 72 3HD2 LEU 6 3HD2 LEU 6 2.076 1.861 0.984 73 QB LEU 6 QB LEU 6 3.199 -0.957 1.069 74 QD1 LEU 6 QD1 LEU 6 1.563 0.429 -1.239 75 QD2 LEU 6 QD2 LEU 6 3.093 1.903 1.000 76 QQD LEU 6 QQD LEU 6 2.328 1.166 -0.120 77 H ILE 7 H ILE 7 5.137 -1.828 -2.767 78 HA ILE 7 HA ILE 7 7.757 -0.784 -1.821 79 HB ILE 7 HB ILE 7 6.878 -1.838 -4.525 80 1HG1 ILE 7 2HG1 ILE 7 8.499 -3.204 -2.348 81 2HG1 ILE 7 1HG1 ILE 7 6.791 -3.522 -2.655 82 1HG2 ILE 7 2HG2 ILE 7 9.365 -0.642 -3.436 83 2HG2 ILE 7 1HG2 ILE 7 9.597 -2.143 -4.344 84 3HG2 ILE 7 3HG2 ILE 7 8.804 -0.764 -5.107 85 1HD1 ILE 7 2HD1 ILE 7 8.666 -3.685 -4.974 86 2HD1 ILE 7 1HD1 ILE 7 8.712 -4.992 -3.792 87 3HD1 ILE 7 3HD1 ILE 7 7.210 -4.622 -4.639 88 QG1 ILE 7 QG1 ILE 7 7.645 -3.363 -2.501 89 QG2 ILE 7 QG2 ILE 7 9.256 -1.183 -4.295 90 QD1 ILE 7 QD1 ILE 7 8.196 -4.433 -4.468 91 H ILE 8 H ILE 8 8.328 1.329 -2.261 92 HA ILE 8 HA ILE 8 6.303 3.020 -3.574 93 HB ILE 8 HB ILE 8 8.998 3.850 -2.490 94 1HG1 ILE 8 2HG1 ILE 8 7.780 2.515 -0.775 95 2HG1 ILE 8 1HG1 ILE 8 7.912 4.207 -0.316 96 1HG2 ILE 8 1HG2 ILE 8 6.329 5.253 -2.840 97 2HG2 ILE 8 3HG2 ILE 8 7.767 5.979 -2.112 98 3HG2 ILE 8 2HG2 ILE 8 7.783 5.511 -3.811 99 1HD1 ILE 8 2HD1 ILE 8 5.586 4.523 -1.314 100 2HD1 ILE 8 1HD1 ILE 8 5.492 2.765 -1.413 101 3HD1 ILE 8 3HD1 ILE 8 5.657 3.551 0.155 102 QG1 ILE 8 QG1 ILE 8 7.846 3.361 -0.545 103 QG2 ILE 8 QG2 ILE 8 7.293 5.581 -2.921 104 QD1 ILE 8 QD1 ILE 8 5.578 3.613 -0.857 105 H ASN 9 H ASN 9 6.381 2.935 -5.805 106 HA ASN 9 HA ASN 9 8.858 2.498 -7.282 107 1HB ASN 9 2HB ASN 9 6.588 1.761 -7.995 108 2HB ASN 9 1HB ASN 9 6.118 3.450 -8.169 109 1HD2 ASN 9 2HD2 ASN 9 7.832 3.889 -11.253 110 2HD2 ASN 9 1HD2 ASN 9 7.004 4.659 -9.985 111 QB ASN 9 QB ASN 9 6.353 2.606 -8.082 112 QD2 ASN 9 QD2 ASN 9 7.418 4.274 -10.619 113 H GLY 10 H GLY 10 9.784 4.478 -5.959 114 1HA GLY 10 2HA GLY 10 10.040 6.692 -7.817 115 2HA GLY 10 1HA GLY 10 9.131 7.145 -6.374 116 QA GLY 10 QA GLY 10 9.586 6.918 -7.095 117 H LYS 11 H LYS 11 10.586 8.362 -5.221 118 HA LYS 11 HA LYS 11 12.808 7.041 -3.903 119 1HB LYS 11 2HB LYS 11 14.590 8.395 -4.999 120 2HB LYS 11 1HB LYS 11 13.768 7.343 -6.148 121 1HG LYS 11 2HG LYS 11 12.210 9.456 -6.494 122 2HG LYS 11 1HG LYS 11 13.608 10.324 -5.859 123 1HD LYS 11 2HD LYS 11 13.794 8.340 -8.137 124 2HD LYS 11 1HD LYS 11 13.562 10.072 -8.384 125 1HE LYS 11 2HE LYS 11 15.672 10.083 -6.635 126 2HE LYS 11 1HE LYS 11 15.998 8.608 -7.569 127 1HZ LYS 11 2HZ LYS 11 15.511 9.926 -9.602 128 2HZ LYS 11 1HZ LYS 11 15.464 11.325 -8.640 129 3HZ LYS 11 3HZ LYS 11 16.904 10.440 -8.775 130 QB LYS 11 QB LYS 11 14.179 7.869 -5.574 131 QG LYS 11 QG LYS 11 12.909 9.890 -6.177 132 QD LYS 11 QD LYS 11 13.678 9.206 -8.261 133 QE LYS 11 QE LYS 11 15.835 9.345 -7.102 134 QZ LYS 11 QZ LYS 11 15.960 10.564 -9.006 135 H THR 12 H THR 12 10.680 8.410 -2.803 136 HA THR 12 HA THR 12 12.021 10.816 -1.668 137 HB THR 12 HB THR 12 9.154 10.664 -2.636 138 HG1 THR 12 1HG THR 12 10.263 10.886 -4.446 139 1HG2 THR 12 3HG2 THR 12 10.769 12.682 -1.149 140 2HG2 THR 12 2HG2 THR 12 9.643 13.279 -2.369 141 3HG2 THR 12 1HG2 THR 12 9.051 12.305 -1.024 142 QG2 THR 12 QG2 THR 12 9.821 12.755 -1.514 143 H LEU 13 H LEU 13 11.313 7.977 -0.751 144 HA LEU 13 HA LEU 13 10.661 8.609 1.965 145 1HB LEU 13 2HB LEU 13 8.344 7.563 1.953 146 2HB LEU 13 1HB LEU 13 8.451 9.129 1.159 147 HG LEU 13 HG LEU 13 8.944 6.799 -0.575 148 1HD1 LEU 13 1HD1 LEU 13 6.284 7.308 0.767 149 2HD1 LEU 13 3HD1 LEU 13 6.387 6.508 -0.801 150 3HD1 LEU 13 2HD1 LEU 13 7.147 5.780 0.614 151 1HD2 LEU 13 3HD2 LEU 13 7.767 9.510 -0.701 152 2HD2 LEU 13 2HD2 LEU 13 8.775 8.667 -1.873 153 3HD2 LEU 13 1HD2 LEU 13 7.051 8.316 -1.782 154 QB LEU 13 QB LEU 13 8.397 8.346 1.556 155 QD1 LEU 13 QD1 LEU 13 6.606 6.532 0.193 156 QD2 LEU 13 QD2 LEU 13 7.865 8.831 -1.452 157 QQD LEU 13 QQD LEU 13 7.235 7.682 -0.629 158 H LYS 14 H LYS 14 10.748 6.151 -0.605 159 HA LYS 14 HA LYS 14 11.391 3.886 -0.560 160 1HB LYS 14 2HB LYS 14 12.840 5.233 1.697 161 2HB LYS 14 1HB LYS 14 12.971 3.482 1.536 162 1HG LYS 14 2HG LYS 14 14.012 3.620 -0.555 163 2HG LYS 14 1HG LYS 14 13.390 5.240 -0.867 164 1HD LYS 14 2HD LYS 14 15.428 4.577 1.278 165 2HD LYS 14 1HD LYS 14 15.832 5.222 -0.314 166 1HE LYS 14 2HE LYS 14 14.147 7.125 0.265 167 2HE LYS 14 1HE LYS 14 14.356 6.577 1.941 168 1HZ LYS 14 2HZ LYS 14 16.565 7.252 0.068 169 2HZ LYS 14 1HZ LYS 14 16.019 8.247 1.332 170 3HZ LYS 14 3HZ LYS 14 16.742 6.754 1.683 171 QB LYS 14 QB LYS 14 12.905 4.358 1.616 172 QG LYS 14 QG LYS 14 13.701 4.430 -0.711 173 QD LYS 14 QD LYS 14 15.630 4.900 0.482 174 QE LYS 14 QE LYS 14 14.251 6.851 1.103 175 QZ LYS 14 QZ LYS 14 16.442 7.417 1.028 176 H GLY 15 H GLY 15 9.672 2.483 -0.180 177 1HA GLY 15 2HA GLY 15 9.079 1.862 2.667 178 2HA GLY 15 1HA GLY 15 7.729 2.356 1.648 179 QA GLY 15 QA GLY 15 8.404 2.109 2.158 180 H GLU 16 H GLU 16 8.722 -0.281 2.968 181 HA GLU 16 HA GLU 16 7.747 -2.063 0.847 182 1HB GLU 16 2HB GLU 16 10.559 -1.493 1.396 183 2HB GLU 16 1HB GLU 16 10.206 -3.210 1.586 184 1HG GLU 16 2HG GLU 16 9.491 -3.445 -0.639 185 2HG GLU 16 1HG GLU 16 9.213 -1.715 -0.833 186 QB GLU 16 QB GLU 16 10.382 -2.351 1.491 187 QG GLU 16 QG GLU 16 9.352 -2.580 -0.736 188 H ILE 17 H ILE 17 7.186 -1.265 3.731 189 HA ILE 17 HA ILE 17 7.931 -3.494 5.430 190 HB ILE 17 HB ILE 17 6.291 -2.421 6.966 191 1HG1 ILE 17 2HG1 ILE 17 5.786 -0.359 4.825 192 2HG1 ILE 17 1HG1 ILE 17 4.767 -1.794 4.931 193 1HG2 ILE 17 1HG2 ILE 17 8.672 -1.517 6.416 194 2HG2 ILE 17 3HG2 ILE 17 7.813 -0.221 5.584 195 3HG2 ILE 17 2HG2 ILE 17 7.563 -0.477 7.311 196 1HD1 ILE 17 3HD1 ILE 17 5.308 -0.224 7.426 197 2HD1 ILE 17 2HD1 ILE 17 4.127 0.395 6.272 198 3HD1 ILE 17 1HD1 ILE 17 3.898 -1.194 7.001 199 QG1 ILE 17 QG1 ILE 17 5.276 -1.076 4.878 200 QG2 ILE 17 QG2 ILE 17 8.016 -0.738 6.437 201 QD1 ILE 17 QD1 ILE 17 4.444 -0.341 6.899 202 H THR 18 H THR 18 5.703 -4.407 6.644 203 HA THR 18 HA THR 18 3.891 -5.461 4.509 204 HB THR 18 HB THR 18 4.229 -7.723 5.467 205 HG1 THR 18 1HG THR 18 5.533 -8.023 7.155 206 1HG2 THR 18 1HG2 THR 18 5.940 -6.375 3.808 207 2HG2 THR 18 3HG2 THR 18 7.038 -6.912 5.078 208 3HG2 THR 18 2HG2 THR 18 6.074 -8.091 4.191 209 QG2 THR 18 QG2 THR 18 6.351 -7.126 4.359 210 H ILE 19 H ILE 19 1.781 -5.313 5.174 211 HA ILE 19 HA ILE 19 1.208 -5.331 8.116 212 HB ILE 19 HB ILE 19 -0.320 -3.422 7.751 213 1HG1 ILE 19 2HG1 ILE 19 0.394 -2.322 5.318 214 2HG1 ILE 19 1HG1 ILE 19 0.302 -4.039 4.932 215 1HG2 ILE 19 2HG2 ILE 19 2.039 -3.012 8.374 216 2HG2 ILE 19 1HG2 ILE 19 2.468 -2.927 6.666 217 3HG2 ILE 19 3HG2 ILE 19 1.400 -1.712 7.368 218 1HD1 ILE 19 3HD1 ILE 19 -1.960 -4.005 6.185 219 2HD1 ILE 19 2HD1 ILE 19 -1.862 -2.250 6.038 220 3HD1 ILE 19 1HD1 ILE 19 -1.904 -3.256 4.589 221 QG1 ILE 19 QG1 ILE 19 0.348 -3.181 5.125 222 QG2 ILE 19 QG2 ILE 19 1.969 -2.550 7.469 223 QD1 ILE 19 QD1 ILE 19 -1.909 -3.170 5.604 224 H GLU 20 H GLU 20 -0.568 -6.542 8.661 225 HA GLU 20 HA GLU 20 -1.952 -8.052 6.546 226 1HB GLU 20 2HB GLU 20 -2.938 -9.214 8.512 227 2HB GLU 20 1HB GLU 20 -1.182 -9.118 8.627 228 1HG GLU 20 2HG GLU 20 -1.254 -7.462 10.292 229 2HG GLU 20 1HG GLU 20 -2.900 -6.983 9.881 230 QB GLU 20 QB GLU 20 -2.060 -9.166 8.570 231 QG GLU 20 QG GLU 20 -2.077 -7.222 10.087 232 H ALA 21 H ALA 21 -4.343 -8.122 6.455 233 HA ALA 21 HA ALA 21 -5.948 -6.078 7.767 234 1HB ALA 21 2HB ALA 21 -4.682 -5.645 5.101 235 2HB ALA 21 1HB ALA 21 -6.359 -5.124 5.273 236 3HB ALA 21 3HB ALA 21 -5.118 -4.466 6.340 237 QB ALA 21 QB ALA 21 -5.386 -5.079 5.571 238 H VAL 22 H VAL 22 -8.200 -6.040 6.709 239 HA VAL 22 HA VAL 22 -9.334 -8.600 6.532 240 HB VAL 22 HB VAL 22 -10.552 -6.509 6.971 241 1HG1 VAL 22 3HG1 VAL 22 -9.140 -5.314 5.094 242 2HG1 VAL 22 2HG1 VAL 22 -10.465 -5.823 4.049 243 3HG1 VAL 22 1HG1 VAL 22 -10.785 -4.777 5.430 244 1HG2 VAL 22 2HG2 VAL 22 -11.605 -8.604 5.777 245 2HG2 VAL 22 1HG2 VAL 22 -12.538 -7.112 5.899 246 3HG2 VAL 22 3HG2 VAL 22 -11.719 -7.519 4.391 247 QG1 VAL 22 QG1 VAL 22 -10.130 -5.305 4.857 248 QG2 VAL 22 QG2 VAL 22 -11.954 -7.745 5.356 249 QQG VAL 22 QQG VAL 22 -11.042 -6.525 5.107 250 H ASP 23 H ASP 23 -8.060 -6.535 3.959 251 HA ASP 23 HA ASP 23 -7.648 -8.797 2.174 252 1HB ASP 23 2HB ASP 23 -9.246 -7.937 0.434 253 2HB ASP 23 1HB ASP 23 -10.056 -8.504 1.892 254 QB ASP 23 QB ASP 23 -9.651 -8.221 1.163 255 H ALA 24 H ALA 24 -6.876 -7.861 -0.064 256 HA ALA 24 HA ALA 24 -4.726 -6.044 0.385 257 1HB ALA 24 1HB ALA 24 -5.271 -7.783 -1.511 258 2HB ALA 24 3HB ALA 24 -6.035 -6.403 -2.301 259 3HB ALA 24 2HB ALA 24 -4.317 -6.352 -1.902 260 QB ALA 24 QB ALA 24 -5.207 -6.846 -1.905 261 H ALA 25 H ALA 25 -8.067 -5.507 -0.625 262 HA ALA 25 HA ALA 25 -7.927 -2.882 -1.636 263 1HB ALA 25 3HB ALA 25 -9.898 -4.745 -0.627 264 2HB ALA 25 2HB ALA 25 -10.292 -3.112 -0.094 265 3HB ALA 25 1HB ALA 25 -10.106 -3.460 -1.812 266 QB ALA 25 QB ALA 25 -10.099 -3.772 -0.845 267 H GLU 26 H GLU 26 -8.357 -3.954 1.749 268 HA GLU 26 HA GLU 26 -8.396 -1.306 2.898 269 1HB GLU 26 2HB GLU 26 -8.380 -4.109 3.724 270 2HB GLU 26 1HB GLU 26 -7.392 -3.121 4.799 271 1HG GLU 26 2HG GLU 26 -9.600 -1.523 4.477 272 2HG GLU 26 1HG GLU 26 -10.321 -3.131 4.416 273 QB GLU 26 QB GLU 26 -7.886 -3.615 4.262 274 QG GLU 26 QG GLU 26 -9.961 -2.327 4.446 275 H ALA 27 H ALA 27 -5.813 -3.742 2.479 276 HA ALA 27 HA ALA 27 -3.644 -2.388 3.682 277 1HB ALA 27 1HB ALA 27 -4.074 -4.415 1.558 278 2HB ALA 27 3HB ALA 27 -2.508 -3.603 1.512 279 3HB ALA 27 2HB ALA 27 -3.011 -4.473 2.965 280 QB ALA 27 QB ALA 27 -3.198 -4.164 2.012 281 H GLU 28 H GLU 28 -4.871 -2.119 0.334 282 HA GLU 28 HA GLU 28 -2.976 -0.242 -0.661 283 1HB GLU 28 2HB GLU 28 -4.878 -1.609 -1.807 284 2HB GLU 28 1HB GLU 28 -5.911 -0.247 -1.377 285 1HG GLU 28 2HG GLU 28 -3.843 1.109 -2.455 286 2HG GLU 28 1HG GLU 28 -3.700 -0.393 -3.372 287 QB GLU 28 QB GLU 28 -5.394 -0.928 -1.592 288 QG GLU 28 QG GLU 28 -3.772 0.358 -2.914 289 H LYS 29 H LYS 29 -5.992 0.222 1.183 290 HA LYS 29 HA LYS 29 -6.004 3.116 1.053 291 1HB LYS 29 2HB LYS 29 -7.181 1.102 3.001 292 2HB LYS 29 1HB LYS 29 -7.593 2.816 2.984 293 1HG LYS 29 2HG LYS 29 -7.958 2.180 0.353 294 2HG LYS 29 1HG LYS 29 -8.409 0.660 1.127 295 1HD LYS 29 2HD LYS 29 -10.435 1.840 1.119 296 2HD LYS 29 1HD LYS 29 -9.804 2.180 2.731 297 1HE LYS 29 2HE LYS 29 -8.735 4.282 1.720 298 2HE LYS 29 1HE LYS 29 -9.762 3.988 0.302 299 1HZ LYS 29 2HZ LYS 29 -10.785 4.066 3.088 300 2HZ LYS 29 1HZ LYS 29 -10.817 5.405 2.043 301 3HZ LYS 29 3HZ LYS 29 -11.699 4.009 1.657 302 QB LYS 29 QB LYS 29 -7.387 1.959 2.992 303 QG LYS 29 QG LYS 29 -8.184 1.420 0.740 304 QD LYS 29 QD LYS 29 -10.120 2.010 1.925 305 QE LYS 29 QE LYS 29 -9.248 4.135 1.011 306 QZ LYS 29 QZ LYS 29 -11.100 4.493 2.263 307 H ILE 30 H ILE 30 -5.019 0.827 3.632 308 HA ILE 30 HA ILE 30 -3.926 2.696 5.474 309 HB ILE 30 HB ILE 30 -3.113 -0.156 4.774 310 1HG1 ILE 30 2HG1 ILE 30 -4.845 0.742 7.079 311 2HG1 ILE 30 1HG1 ILE 30 -5.543 0.422 5.492 312 1HG2 ILE 30 3HG2 ILE 30 -1.714 1.594 6.400 313 2HG2 ILE 30 2HG2 ILE 30 -2.769 0.774 7.551 314 3HG2 ILE 30 1HG2 ILE 30 -1.675 -0.164 6.534 315 1HD1 ILE 30 2HD1 ILE 30 -3.690 -1.658 6.506 316 2HD1 ILE 30 1HD1 ILE 30 -5.205 -1.494 7.393 317 3HD1 ILE 30 3HD1 ILE 30 -5.229 -1.834 5.663 318 QG1 ILE 30 QG1 ILE 30 -5.194 0.582 6.286 319 QG2 ILE 30 QG2 ILE 30 -2.053 0.735 6.829 320 QD1 ILE 30 QD1 ILE 30 -4.708 -1.662 6.521 321 H PHE 31 H PHE 31 -2.500 1.066 2.669 322 HA PHE 31 HA PHE 31 0.153 2.222 2.970 323 1HB PHE 31 2HB PHE 31 -1.419 0.747 0.857 324 2HB PHE 31 1HB PHE 31 0.150 1.445 0.456 325 HD1 PHE 31 1HD PHE 31 1.784 1.067 2.788 326 HD2 PHE 31 2HD PHE 31 -1.201 -1.548 1.149 327 HE1 PHE 31 1HE PHE 31 2.918 -0.873 3.833 328 HE2 PHE 31 2HE PHE 31 -0.067 -3.494 2.197 329 1HZ PHE 31 HZ PHE 31 1.992 -3.153 3.539 330 QB PHE 31 QB PHE 31 -0.634 1.096 0.656 331 QG PHE 31 QD PHE 31 0.292 -0.240 1.969 332 QZ PHE 31 QE PHE 31 1.426 -2.184 3.015 333 QZ PHE 31 QR PHE 31 1.085 -1.600 2.701 334 H LYS 32 H LYS 32 -2.846 3.092 1.331 335 HA LYS 32 HA LYS 32 -1.712 5.334 -0.119 336 1HB LYS 32 2HB LYS 32 -4.425 4.157 0.346 337 2HB LYS 32 1HB LYS 32 -4.275 5.747 -0.400 338 1HG LYS 32 2HG LYS 32 -2.995 4.893 -2.216 339 2HG LYS 32 1HG LYS 32 -2.732 3.353 -1.399 340 1HD LYS 32 2HD LYS 32 -4.443 2.980 -3.048 341 2HD LYS 32 1HD LYS 32 -5.242 3.002 -1.476 342 1HE LYS 32 2HE LYS 32 -5.021 5.661 -2.753 343 2HE LYS 32 1HE LYS 32 -6.066 4.509 -3.609 344 1HZ LYS 32 2HZ LYS 32 -7.057 3.959 -1.409 345 2HZ LYS 32 1HZ LYS 32 -6.194 5.260 -0.737 346 3HZ LYS 32 3HZ LYS 32 -7.372 5.548 -1.922 347 QB LYS 32 QB LYS 32 -4.350 4.952 -0.027 348 QG LYS 32 QG LYS 32 -2.863 4.123 -1.807 349 QD LYS 32 QD LYS 32 -4.843 2.991 -2.262 350 QE LYS 32 QE LYS 32 -5.544 5.085 -3.181 351 QZ LYS 32 QZ LYS 32 -6.874 4.922 -1.356 352 H GLN 33 H GLN 33 -2.178 4.962 3.123 353 HA GLN 33 HA GLN 33 -3.180 7.770 3.553 354 1HB GLN 33 2HB GLN 33 -4.288 5.812 4.725 355 2HB GLN 33 1HB GLN 33 -2.741 5.463 5.498 356 1HG GLN 33 2HG GLN 33 -2.749 7.570 6.653 357 2HG GLN 33 1HG GLN 33 -4.128 8.145 5.716 358 1HE2 GLN 33 2HE2 GLN 33 -6.417 5.864 7.466 359 2HE2 GLN 33 1HE2 GLN 33 -6.059 6.321 5.871 360 QB GLN 33 QB GLN 33 -3.515 5.638 5.111 361 QG GLN 33 QG GLN 33 -3.439 7.858 6.184 362 QE2 GLN 33 QE2 GLN 33 -6.238 6.092 6.669 363 H TYR 34 H TYR 34 -0.794 5.363 4.372 364 HA TYR 34 HA TYR 34 1.202 6.750 5.778 365 1HB TYR 34 2HB TYR 34 1.292 4.408 5.486 366 2HB TYR 34 1HB TYR 34 0.928 4.521 3.762 367 HD1 TYR 34 2HD TYR 34 2.798 5.416 2.206 368 HD2 TYR 34 1HD TYR 34 3.516 4.299 6.294 369 HE1 TYR 34 2HE TYR 34 5.224 5.251 1.735 370 HE2 TYR 34 1HE TYR 34 5.943 4.134 5.819 371 HH TYR 34 HH TYR 34 7.513 5.388 3.814 372 QB TYR 34 QB TYR 34 1.110 4.464 4.624 373 QG TYR 34 QD TYR 34 3.157 4.858 4.250 374 QZ TYR 34 QE TYR 34 5.583 4.693 3.777 375 QR TYR 34 QR TYR 34 4.370 4.775 4.013 376 H ALA 35 H ALA 35 0.568 6.534 2.297 377 HA ALA 35 HA ALA 35 2.834 8.026 1.324 378 1HB ALA 35 1HB ALA 35 0.128 7.162 0.348 379 2HB ALA 35 3HB ALA 35 1.034 8.337 -0.606 380 3HB ALA 35 2HB ALA 35 1.724 6.746 -0.279 381 QB ALA 35 QB ALA 35 0.962 7.415 -0.179 382 H ASN 36 H ASN 36 -0.531 8.971 2.084 383 HA ASN 36 HA ASN 36 -0.389 11.707 1.316 384 1HB ASN 36 2HB ASN 36 -1.992 10.044 3.220 385 2HB ASN 36 1HB ASN 36 -2.188 11.795 3.251 386 1HD2 ASN 36 2HD2 ASN 36 -3.124 9.921 -0.298 387 2HD2 ASN 36 1HD2 ASN 36 -1.815 9.343 0.612 388 QB ASN 36 QB ASN 36 -2.090 10.920 3.236 389 QD2 ASN 36 QD2 ASN 36 -2.470 9.632 0.157 390 H ASP 37 H ASP 37 0.183 10.215 4.516 391 HA ASP 37 HA ASP 37 0.784 12.540 5.993 392 1HB ASP 37 2HB ASP 37 0.521 10.058 6.676 393 2HB ASP 37 1HB ASP 37 2.240 9.919 6.310 394 QB ASP 37 QB ASP 37 1.380 9.988 6.493 395 H ASN 38 H ASN 38 2.693 10.929 3.590 396 HA ASN 38 HA ASN 38 5.086 12.506 4.295 397 1HB ASN 38 2HB ASN 38 4.481 9.967 2.860 398 2HB ASN 38 1HB ASN 38 5.921 10.856 2.361 399 1HD2 ASN 38 2HD2 ASN 38 7.386 10.563 5.728 400 2HD2 ASN 38 1HD2 ASN 38 7.098 11.785 4.585 401 QB ASN 38 QB ASN 38 5.201 10.412 2.610 402 QD2 ASN 38 QD2 ASN 38 7.242 11.174 5.157 403 H GLY 39 H GLY 39 2.544 12.274 1.928 404 1HA GLY 39 2HA GLY 39 2.076 14.119 0.409 405 2HA GLY 39 1HA GLY 39 3.797 14.509 0.405 406 QA GLY 39 QA GLY 39 2.936 14.314 0.407 407 H ILE 40 H ILE 40 2.421 11.281 0.046 408 HA ILE 40 HA ILE 40 3.810 11.022 -2.574 409 HB ILE 40 HB ILE 40 2.894 9.275 -0.330 410 1HG1 ILE 40 2HG1 ILE 40 5.183 8.327 -0.684 411 2HG1 ILE 40 1HG1 ILE 40 5.409 9.512 -1.973 412 1HG2 ILE 40 1HG2 ILE 40 1.950 8.183 -2.387 413 2HG2 ILE 40 3HG2 ILE 40 3.592 8.105 -3.029 414 3HG2 ILE 40 2HG2 ILE 40 3.172 7.224 -1.557 415 1HD1 ILE 40 2HD1 ILE 40 4.546 10.322 0.796 416 2HD1 ILE 40 1HD1 ILE 40 6.252 10.177 0.365 417 3HD1 ILE 40 3HD1 ILE 40 5.221 11.336 -0.484 418 QG1 ILE 40 QG1 ILE 40 5.296 8.920 -1.329 419 QG2 ILE 40 QG2 ILE 40 2.905 7.837 -2.324 420 QD1 ILE 40 QD1 ILE 40 5.340 10.612 0.226 421 H ASP 41 H ASP 41 2.586 11.317 -4.338 422 HA ASP 41 HA ASP 41 -0.158 10.194 -4.457 423 1HB ASP 41 2HB ASP 41 -1.111 12.384 -5.088 424 2HB ASP 41 1HB ASP 41 -0.377 12.456 -3.489 425 QB ASP 41 QB ASP 41 -0.744 12.420 -4.288 426 H GLY 42 H GLY 42 1.342 8.898 -6.001 427 1HA GLY 42 2HA GLY 42 1.386 10.251 -8.673 428 2HA GLY 42 1HA GLY 42 2.601 9.068 -8.190 429 QA GLY 42 QA GLY 42 1.993 9.660 -8.431 430 H GLU 43 H GLU 43 2.224 6.992 -8.801 431 HA GLU 43 HA GLU 43 -0.551 6.273 -9.699 432 1HB GLU 43 2HB GLU 43 1.758 6.233 -11.082 433 2HB GLU 43 1HB GLU 43 1.839 4.622 -10.369 434 1HG GLU 43 2HG GLU 43 0.210 3.829 -11.720 435 2HG GLU 43 1HG GLU 43 -0.826 5.224 -11.418 436 QB GLU 43 QB GLU 43 1.799 5.427 -10.726 437 QG GLU 43 QG GLU 43 -0.308 4.527 -11.569 438 H TRP 44 H TRP 44 -0.936 3.782 -9.457 439 HA TRP 44 HA TRP 44 0.280 2.572 -7.005 440 1HB TRP 44 2HB TRP 44 -2.539 3.593 -7.368 441 2HB TRP 44 1HB TRP 44 -2.237 2.205 -6.318 442 HD1 TRP 44 HD TRP 44 -1.444 5.937 -6.648 443 HE1 TRP 44 1HE TRP 44 -0.627 6.788 -4.355 444 HE3 TRP 44 3HE TRP 44 -1.184 1.513 -4.141 445 HZ2 TRP 44 2HZ TRP 44 0.052 5.721 -1.787 446 HZ3 TRP 44 3HZ TRP 44 -0.447 1.453 -1.767 447 HH2 TRP 44 HH TRP 44 0.171 3.552 -0.595 448 QB TRP 44 QB TRP 44 -2.388 2.899 -6.843 449 H THR 45 H THR 45 0.395 0.376 -7.270 450 HA THR 45 HA THR 45 -1.526 -0.971 -9.111 451 HB THR 45 HB THR 45 0.187 -1.930 -10.441 452 HG1 THR 45 1HG THR 45 2.336 -1.896 -9.844 453 1HG2 THR 45 2HG2 THR 45 -0.138 0.463 -10.936 454 2HG2 THR 45 1HG2 THR 45 1.140 0.866 -9.788 455 3HG2 THR 45 3HG2 THR 45 1.524 -0.036 -11.255 456 QG2 THR 45 QG2 THR 45 0.842 0.431 -10.660 457 H TYR 46 H TYR 46 -2.160 -2.890 -8.274 458 HA TYR 46 HA TYR 46 -0.833 -3.846 -5.786 459 1HB TYR 46 2HB TYR 46 -3.198 -3.442 -5.639 460 2HB TYR 46 1HB TYR 46 -3.508 -4.347 -7.125 461 HD1 TYR 46 2HD TYR 46 -1.704 -4.909 -3.880 462 HD2 TYR 46 1HD TYR 46 -4.403 -6.481 -6.825 463 HE1 TYR 46 2HE TYR 46 -1.912 -6.996 -2.570 464 HE2 TYR 46 1HE TYR 46 -4.606 -8.579 -5.518 465 HH TYR 46 HH TYR 46 -4.291 -9.152 -2.907 466 QB TYR 46 QB TYR 46 -3.353 -3.894 -6.382 467 QG TYR 46 QD TYR 46 -3.054 -5.695 -5.352 468 QZ TYR 46 QE TYR 46 -3.259 -7.788 -4.044 469 QR TYR 46 QR TYR 46 -3.156 -6.741 -4.698 470 H ASP 47 H ASP 47 -0.052 -5.993 -5.626 471 HA ASP 47 HA ASP 47 0.209 -7.483 -8.218 472 1HB ASP 47 2HB ASP 47 2.071 -7.137 -5.850 473 2HB ASP 47 1HB ASP 47 2.366 -8.292 -7.148 474 QB ASP 47 QB ASP 47 2.219 -7.715 -6.499 475 H ASP 48 H ASP 48 -1.429 -9.010 -7.981 476 HA ASP 48 HA ASP 48 -2.122 -10.289 -5.486 477 1HB ASP 48 2HB ASP 48 -3.484 -11.724 -6.996 478 2HB ASP 48 1HB ASP 48 -3.666 -10.011 -7.371 479 QB ASP 48 QB ASP 48 -3.575 -10.868 -7.183 480 H ALA 49 H ALA 49 0.594 -10.742 -7.451 481 HA ALA 49 HA ALA 49 0.847 -13.648 -7.028 482 1HB ALA 49 3HB ALA 49 2.104 -11.481 -8.594 483 2HB ALA 49 2HB ALA 49 3.233 -12.711 -8.024 484 3HB ALA 49 1HB ALA 49 1.855 -13.173 -9.023 485 QB ALA 49 QB ALA 49 2.398 -12.455 -8.547 486 H THR 50 H THR 50 2.004 -10.610 -5.676 487 HA THR 50 HA THR 50 3.517 -12.166 -3.605 488 HB THR 50 HB THR 50 5.103 -10.243 -3.619 489 HG1 THR 50 1HG THR 50 4.718 -8.545 -4.824 490 1HG2 THR 50 1HG2 THR 50 5.197 -12.318 -5.207 491 2HG2 THR 50 3HG2 THR 50 4.794 -11.152 -6.466 492 3HG2 THR 50 2HG2 THR 50 6.269 -10.953 -5.519 493 QG2 THR 50 QG2 THR 50 5.420 -11.475 -5.730 494 H LYS 51 H LYS 51 0.769 -10.435 -4.070 495 HA LYS 51 HA LYS 51 -0.630 -9.149 -2.675 496 1HB LYS 51 2HB LYS 51 1.221 -10.367 -0.593 497 2HB LYS 51 1HB LYS 51 -0.376 -9.691 -0.274 498 1HG LYS 51 2HG LYS 51 0.152 -12.007 -2.159 499 2HG LYS 51 1HG LYS 51 -0.400 -12.184 -0.492 500 1HD LYS 51 2HD LYS 51 -2.378 -10.747 -1.058 501 2HD LYS 51 1HD LYS 51 -1.857 -10.771 -2.743 502 1HE LYS 51 2HE LYS 51 -2.268 -13.346 -1.213 503 2HE LYS 51 1HE LYS 51 -3.614 -12.538 -2.042 504 1HZ LYS 51 3HZ LYS 51 -2.280 -12.480 -4.064 505 2HZ LYS 51 2HZ LYS 51 -1.013 -13.291 -3.272 506 3HZ LYS 51 1HZ LYS 51 -2.496 -14.077 -3.536 507 QB LYS 51 QB LYS 51 0.423 -10.029 -0.433 508 QG LYS 51 QG LYS 51 -0.124 -12.096 -1.326 509 QD LYS 51 QD LYS 51 -2.117 -10.759 -1.901 510 QE LYS 51 QE LYS 51 -2.941 -12.942 -1.627 511 QZ LYS 51 QZ LYS 51 -1.930 -13.283 -3.624 512 H THR 52 H THR 52 1.656 -7.795 -3.828 513 HA THR 52 HA THR 52 2.231 -5.781 -1.664 514 HB THR 52 HB THR 52 3.977 -6.528 -4.028 515 HG1 THR 52 1HG THR 52 4.050 -8.311 -2.839 516 1HG2 THR 52 1HG2 THR 52 4.188 -4.701 -1.684 517 2HG2 THR 52 3HG2 THR 52 5.648 -5.561 -2.172 518 3HG2 THR 52 2HG2 THR 52 4.820 -4.509 -3.320 519 QG2 THR 52 QG2 THR 52 4.885 -4.924 -2.392 520 H PHE 53 H PHE 53 2.184 -3.564 -2.327 521 HA PHE 53 HA PHE 53 0.722 -3.085 -4.879 522 1HB PHE 53 2HB PHE 53 1.080 -1.575 -2.288 523 2HB PHE 53 1HB PHE 53 0.306 -0.845 -3.695 524 HD1 PHE 53 1HD PHE 53 0.099 -3.680 -1.281 525 HD2 PHE 53 2HD PHE 53 -1.943 -1.411 -4.315 526 HE1 PHE 53 1HE PHE 53 -2.036 -4.798 -0.689 527 HE2 PHE 53 2HE PHE 53 -4.066 -2.530 -3.715 528 1HZ PHE 53 HZ PHE 53 -4.114 -4.225 -1.907 529 QB PHE 53 QB PHE 53 0.693 -1.210 -2.992 530 QG PHE 53 QD PHE 53 -0.922 -2.545 -2.798 531 QZ PHE 53 QE PHE 53 -3.051 -3.664 -2.202 532 QZ PHE 53 QR PHE 53 -2.412 -3.329 -2.381 533 H THR 54 H THR 54 1.387 -0.424 -5.440 534 HA THR 54 HA THR 54 4.315 -0.102 -5.378 535 HB THR 54 HB THR 54 3.033 -0.182 -8.089 536 HG1 THR 54 1HG THR 54 2.424 -2.159 -7.277 537 1HG2 THR 54 2HG2 THR 54 5.729 -0.299 -6.880 538 2HG2 THR 54 1HG2 THR 54 5.483 -1.336 -8.285 539 3HG2 THR 54 3HG2 THR 54 5.205 0.400 -8.412 540 QG2 THR 54 QG2 THR 54 5.472 -0.412 -7.859 541 H VAL 55 H VAL 55 3.770 1.880 -4.389 542 HA VAL 55 HA VAL 55 1.973 3.726 -5.822 543 HB VAL 55 HB VAL 55 1.636 3.583 -3.462 544 1HG1 VAL 55 1HG1 VAL 55 4.621 4.022 -3.230 545 2HG1 VAL 55 3HG1 VAL 55 3.512 4.219 -1.871 546 3HG1 VAL 55 2HG1 VAL 55 3.664 2.648 -2.657 547 1HG2 VAL 55 2HG2 VAL 55 1.535 5.875 -4.427 548 2HG2 VAL 55 1HG2 VAL 55 1.993 5.883 -2.721 549 3HG2 VAL 55 3HG2 VAL 55 3.220 6.119 -3.969 550 QG1 VAL 55 QG1 VAL 55 3.932 3.629 -2.586 551 QG2 VAL 55 QG2 VAL 55 2.249 5.959 -3.705 552 QQG VAL 55 QQG VAL 55 3.091 4.794 -3.146 553 H THR 56 H THR 56 2.928 4.635 -7.551 554 HA THR 56 HA THR 56 5.753 5.398 -7.625 555 HB THR 56 HB THR 56 3.320 5.510 -9.397 556 HG1 THR 56 1HG THR 56 4.438 4.086 -10.529 557 1HG2 THR 56 2HG2 THR 56 5.822 7.132 -9.751 558 2HG2 THR 56 1HG2 THR 56 4.986 6.490 -11.165 559 3HG2 THR 56 3HG2 THR 56 4.144 7.585 -10.065 560 QG2 THR 56 QG2 THR 56 4.984 7.069 -10.327 561 H GLU 57 H GLU 57 6.452 7.668 -7.826 562 HA GLU 57 HA GLU 57 4.506 9.658 -6.696 563 1HB GLU 57 2HB GLU 57 6.273 8.645 -5.121 564 2HB GLU 57 1HB GLU 57 7.467 9.528 -6.074 565 1HG GLU 57 2HG GLU 57 5.678 11.513 -5.631 566 2HG GLU 57 1HG GLU 57 5.431 10.556 -4.170 567 QB GLU 57 QB GLU 57 6.870 9.086 -5.597 568 QG GLU 57 QG GLU 57 5.555 11.035 -4.900 No H/Q in entry = 568 Start of MODEL 14 1 1H MET 1 1HT MET 1 0.008 -13.279 7.533 2 2H MET 1 3HT MET 1 -1.467 -13.096 8.349 3 3H MET 1 2HT MET 1 -0.513 -14.477 8.620 4 HA MET 1 HA MET 1 -0.938 -15.322 6.451 5 1HB MET 1 2HB MET 1 -2.678 -15.209 8.455 6 2HB MET 1 1HB MET 1 -3.588 -14.216 7.315 7 1HG MET 1 2HG MET 1 -3.032 -16.168 5.632 8 2HG MET 1 1HG MET 1 -2.812 -17.108 7.107 9 1HE MET 1 1HE MET 1 -4.419 -17.466 8.881 10 2HE MET 1 3HE MET 1 -6.087 -17.873 8.452 11 3HE MET 1 2HE MET 1 -4.744 -18.650 7.617 12 QB MET 1 QB MET 1 -3.133 -14.712 7.885 13 QG MET 1 QG MET 1 -2.922 -16.638 6.369 14 QE MET 1 QE MET 1 -5.084 -17.996 8.317 15 H THR 2 H THR 2 -2.784 -12.270 6.850 16 HA THR 2 HA THR 2 -2.679 -11.876 3.889 17 HB THR 2 HB THR 2 -4.345 -10.552 6.055 18 HG1 THR 2 1HG THR 2 -5.020 -12.589 4.203 19 1HG2 THR 2 1HG2 THR 2 -4.198 -10.326 3.076 20 2HG2 THR 2 3HG2 THR 2 -5.778 -10.199 3.848 21 3HG2 THR 2 2HG2 THR 2 -4.492 -9.073 4.281 22 QG2 THR 2 QG2 THR 2 -4.822 -9.866 3.735 23 H THR 3 H THR 3 -0.305 -11.345 5.434 24 HA THR 3 HA THR 3 -0.091 -8.532 6.114 25 HB THR 3 HB THR 3 2.100 -10.481 5.348 26 HG1 THR 3 1HG THR 3 1.530 -11.577 7.023 27 1HG2 THR 3 1HG2 THR 3 2.323 -7.863 5.954 28 2HG2 THR 3 3HG2 THR 3 2.328 -8.537 7.585 29 3HG2 THR 3 2HG2 THR 3 3.542 -9.053 6.414 30 QG2 THR 3 QG2 THR 3 2.731 -8.484 6.651 31 H PHE 4 H PHE 4 -0.574 -7.133 4.422 32 HA PHE 4 HA PHE 4 0.458 -7.636 1.702 33 1HB PHE 4 2HB PHE 4 -1.363 -5.682 3.084 34 2HB PHE 4 1HB PHE 4 -0.754 -5.311 1.470 35 HD1 PHE 4 1HD PHE 4 -0.859 -7.387 -0.221 36 HD2 PHE 4 2HD PHE 4 -3.364 -6.865 3.224 37 HE1 PHE 4 1HE PHE 4 -2.535 -8.916 -1.212 38 HE2 PHE 4 2HE PHE 4 -5.043 -8.394 2.229 39 1HZ PHE 4 HZ PHE 4 -4.630 -9.420 0.013 40 QB PHE 4 QB PHE 4 -1.058 -5.496 2.277 41 QG PHE 4 QD PHE 4 -2.111 -7.126 1.502 42 QZ PHE 4 QE PHE 4 -3.789 -8.655 0.509 43 QZ PHE 4 QR PHE 4 -3.286 -8.196 0.807 44 H LYS 5 H LYS 5 1.992 -6.273 0.667 45 HA LYS 5 HA LYS 5 3.627 -4.578 2.524 46 1HB LYS 5 2HB LYS 5 4.348 -6.083 -0.017 47 2HB LYS 5 1HB LYS 5 5.480 -5.155 0.968 48 1HG LYS 5 2HG LYS 5 5.844 -7.167 1.984 49 2HG LYS 5 1HG LYS 5 4.376 -6.754 2.872 50 1HD LYS 5 2HD LYS 5 3.086 -8.261 1.721 51 2HD LYS 5 1HD LYS 5 4.004 -8.064 0.227 52 1HE LYS 5 2HE LYS 5 5.934 -9.261 1.496 53 2HE LYS 5 1HE LYS 5 4.664 -9.780 2.622 54 1HZ LYS 5 2HZ LYS 5 4.462 -10.057 -0.327 55 2HZ LYS 5 1HZ LYS 5 5.002 -11.305 0.693 56 3HZ LYS 5 3HZ LYS 5 3.420 -10.714 0.843 57 QB LYS 5 QB LYS 5 4.914 -5.619 0.476 58 QG LYS 5 QG LYS 5 5.110 -6.961 2.428 59 QD LYS 5 QD LYS 5 3.545 -8.163 0.974 60 QE LYS 5 QE LYS 5 5.299 -9.521 2.059 61 QZ LYS 5 QZ LYS 5 4.295 -10.692 0.403 62 H LEU 6 H LEU 6 5.046 -3.037 0.855 63 HA LEU 6 HA LEU 6 3.405 -1.909 -1.312 64 1HB LEU 6 2HB LEU 6 2.331 -1.021 0.698 65 2HB LEU 6 1HB LEU 6 3.885 -0.470 1.320 66 HG LEU 6 HG LEU 6 4.041 0.922 -0.861 67 1HD1 LEU 6 2HD1 LEU 6 1.153 0.048 -0.852 68 2HD1 LEU 6 1HD1 LEU 6 1.654 1.557 -1.615 69 3HD1 LEU 6 3HD1 LEU 6 2.304 0.021 -2.190 70 1HD2 LEU 6 2HD2 LEU 6 3.248 1.546 1.639 71 2HD2 LEU 6 1HD2 LEU 6 3.266 2.729 0.330 72 3HD2 LEU 6 3HD2 LEU 6 1.760 1.923 0.770 73 QB LEU 6 QB LEU 6 3.108 -0.746 1.009 74 QD1 LEU 6 QD1 LEU 6 1.704 0.542 -1.552 75 QD2 LEU 6 QD2 LEU 6 2.758 2.066 0.913 76 QQD LEU 6 QQD LEU 6 2.231 1.304 -0.320 77 H ILE 7 H ILE 7 5.078 -1.758 -2.775 78 HA ILE 7 HA ILE 7 7.771 -0.883 -1.918 79 HB ILE 7 HB ILE 7 6.573 -1.654 -4.607 80 1HG1 ILE 7 2HG1 ILE 7 8.372 -3.282 -2.790 81 2HG1 ILE 7 1HG1 ILE 7 6.614 -3.427 -2.782 82 1HG2 ILE 7 3HG2 ILE 7 9.410 -1.128 -3.692 83 2HG2 ILE 7 2HG2 ILE 7 9.039 -2.043 -5.154 84 3HG2 ILE 7 1HG2 ILE 7 8.540 -0.357 -5.018 85 1HD1 ILE 7 3HD1 ILE 7 6.773 -3.836 -5.299 86 2HD1 ILE 7 2HD1 ILE 7 8.511 -4.018 -5.061 87 3HD1 ILE 7 1HD1 ILE 7 7.393 -5.126 -4.269 88 QG1 ILE 7 QG1 ILE 7 7.493 -3.354 -2.786 89 QG2 ILE 7 QG2 ILE 7 8.996 -1.176 -4.621 90 QD1 ILE 7 QD1 ILE 7 7.559 -4.327 -4.877 91 H ILE 8 H ILE 8 8.181 1.307 -1.852 92 HA ILE 8 HA ILE 8 6.328 3.152 -3.193 93 HB ILE 8 HB ILE 8 8.894 3.883 -1.778 94 1HG1 ILE 8 2HG1 ILE 8 7.426 2.290 -0.371 95 2HG1 ILE 8 1HG1 ILE 8 7.829 3.833 0.357 96 1HG2 ILE 8 3HG2 ILE 8 6.316 5.233 -2.526 97 2HG2 ILE 8 2HG2 ILE 8 7.257 5.842 -1.158 98 3HG2 ILE 8 1HG2 ILE 8 7.979 5.784 -2.766 99 1HD1 ILE 8 3HD1 ILE 8 5.388 4.133 -1.124 100 2HD1 ILE 8 2HD1 ILE 8 5.246 2.723 -0.082 101 3HD1 ILE 8 1HD1 ILE 8 5.646 4.297 0.612 102 QG1 ILE 8 QG1 ILE 8 7.628 3.061 -0.007 103 QG2 ILE 8 QG2 ILE 8 7.184 5.619 -2.150 104 QD1 ILE 8 QD1 ILE 8 5.427 3.718 -0.198 105 H ASN 9 H ASN 9 6.645 3.575 -5.346 106 HA ASN 9 HA ASN 9 9.411 3.414 -6.459 107 1HB ASN 9 2HB ASN 9 7.494 2.094 -7.411 108 2HB ASN 9 1HB ASN 9 6.713 3.616 -7.833 109 1HD2 ASN 9 2HD2 ASN 9 8.768 4.191 -10.659 110 2HD2 ASN 9 1HD2 ASN 9 7.542 4.801 -9.656 111 QB ASN 9 QB ASN 9 7.103 2.855 -7.622 112 QD2 ASN 9 QD2 ASN 9 8.155 4.496 -10.157 113 H GLY 10 H GLY 10 9.174 5.668 -4.956 114 1HA GLY 10 2HA GLY 10 8.908 7.820 -7.011 115 2HA GLY 10 1HA GLY 10 8.233 8.042 -5.396 116 QA GLY 10 QA GLY 10 8.570 7.931 -6.204 117 H LYS 11 H LYS 11 9.535 9.166 -4.049 118 HA LYS 11 HA LYS 11 12.385 8.579 -3.802 119 1HB LYS 11 2HB LYS 11 13.107 10.836 -4.578 120 2HB LYS 11 1HB LYS 11 12.353 9.903 -5.869 121 1HG LYS 11 2HG LYS 11 10.170 11.072 -5.284 122 2HG LYS 11 1HG LYS 11 11.116 12.142 -4.249 123 1HD LYS 11 2HD LYS 11 12.580 12.590 -6.302 124 2HD LYS 11 1HD LYS 11 11.315 11.803 -7.246 125 1HE LYS 11 2HE LYS 11 10.617 14.036 -7.349 126 2HE LYS 11 1HE LYS 11 9.743 13.491 -5.904 127 1HZ LYS 11 3HZ LYS 11 11.604 14.203 -4.543 128 2HZ LYS 11 2HZ LYS 11 12.445 14.731 -5.922 129 3HZ LYS 11 1HZ LYS 11 11.011 15.509 -5.447 130 QB LYS 11 QB LYS 11 12.730 10.370 -5.224 131 QG LYS 11 QG LYS 11 10.643 11.607 -4.766 132 QD LYS 11 QD LYS 11 11.948 12.197 -6.774 133 QE LYS 11 QE LYS 11 10.180 13.764 -6.627 134 QZ LYS 11 QZ LYS 11 11.687 14.814 -5.304 135 H THR 12 H THR 12 10.350 8.531 -1.895 136 HA THR 12 HA THR 12 11.167 10.775 -0.096 137 HB THR 12 HB THR 12 8.326 9.776 -0.464 138 HG1 THR 12 1HG THR 12 8.802 10.809 -2.322 139 1HG2 THR 12 2HG2 THR 12 9.643 11.987 1.098 140 2HG2 THR 12 1HG2 THR 12 7.948 12.107 0.624 141 3HG2 THR 12 3HG2 THR 12 8.484 10.780 1.654 142 QG2 THR 12 QG2 THR 12 8.692 11.624 1.125 143 H LEU 13 H LEU 13 9.410 7.674 -0.353 144 HA LEU 13 HA LEU 13 10.222 7.014 2.452 145 1HB LEU 13 2HB LEU 13 7.974 6.348 0.602 146 2HB LEU 13 1HB LEU 13 8.427 5.135 1.799 147 HG LEU 13 HG LEU 13 7.874 8.028 2.492 148 1HD1 LEU 13 2HD1 LEU 13 6.050 5.729 2.033 149 2HD1 LEU 13 1HD1 LEU 13 5.772 6.640 3.520 150 3HD1 LEU 13 3HD1 LEU 13 5.722 7.462 1.962 151 1HD2 LEU 13 3HD2 LEU 13 8.376 5.481 4.026 152 2HD2 LEU 13 2HD2 LEU 13 9.139 7.059 4.228 153 3HD2 LEU 13 1HD2 LEU 13 7.477 6.807 4.764 154 QB LEU 13 QB LEU 13 8.200 5.741 1.200 155 QD1 LEU 13 QD1 LEU 13 5.848 6.610 2.505 156 QD2 LEU 13 QD2 LEU 13 8.331 6.449 4.339 157 QQD LEU 13 QQD LEU 13 7.089 6.530 3.422 158 H LYS 14 H LYS 14 9.766 5.337 -0.689 159 HA LYS 14 HA LYS 14 10.937 3.529 -1.658 160 1HB LYS 14 2HB LYS 14 13.019 5.157 -0.197 161 2HB LYS 14 1HB LYS 14 13.475 3.734 -1.136 162 1HG LYS 14 2HG LYS 14 12.332 4.710 -3.120 163 2HG LYS 14 1HG LYS 14 11.980 6.158 -2.175 164 1HD LYS 14 2HD LYS 14 13.956 6.849 -3.130 165 2HD LYS 14 1HD LYS 14 14.620 6.020 -1.722 166 1HE LYS 14 2HE LYS 14 14.132 4.141 -3.905 167 2HE LYS 14 1HE LYS 14 15.228 5.447 -4.398 168 1HZ LYS 14 2HZ LYS 14 15.479 3.962 -1.839 169 2HZ LYS 14 1HZ LYS 14 16.354 3.569 -3.242 170 3HZ LYS 14 3HZ LYS 14 16.583 5.074 -2.495 171 QB LYS 14 QB LYS 14 13.247 4.446 -0.667 172 QG LYS 14 QG LYS 14 12.156 5.434 -2.648 173 QD LYS 14 QD LYS 14 14.288 6.434 -2.426 174 QE LYS 14 QE LYS 14 14.680 4.794 -4.151 175 QZ LYS 14 QZ LYS 14 16.139 4.202 -2.525 176 H GLY 15 H GLY 15 9.868 1.849 -0.426 177 1HA GLY 15 2HA GLY 15 11.583 0.118 1.039 178 2HA GLY 15 1HA GLY 15 10.613 1.027 2.198 179 QA GLY 15 QA GLY 15 11.098 0.572 1.619 180 H GLU 16 H GLU 16 10.212 -1.635 2.202 181 HA GLU 16 HA GLU 16 7.589 -1.991 0.786 182 1HB GLU 16 2HB GLU 16 9.538 -3.273 -0.151 183 2HB GLU 16 1HB GLU 16 9.707 -4.070 1.412 184 1HG GLU 16 2HG GLU 16 7.537 -5.085 1.224 185 2HG GLU 16 1HG GLU 16 7.136 -4.104 -0.186 186 QB GLU 16 QB GLU 16 9.622 -3.671 0.630 187 QG GLU 16 QG GLU 16 7.336 -4.594 0.519 188 H ILE 17 H ILE 17 7.306 -0.915 3.204 189 HA ILE 17 HA ILE 17 7.472 -2.578 5.514 190 HB ILE 17 HB ILE 17 7.091 -0.138 5.506 191 1HG1 ILE 17 2HG1 ILE 17 4.850 -0.297 6.990 192 2HG1 ILE 17 1HG1 ILE 17 5.249 -2.013 6.915 193 1HG2 ILE 17 2HG2 ILE 17 5.301 -0.597 3.517 194 2HG2 ILE 17 1HG2 ILE 17 4.205 -0.419 4.886 195 3HG2 ILE 17 3HG2 ILE 17 5.325 0.882 4.479 196 1HD1 ILE 17 1HD1 ILE 17 7.147 0.183 7.794 197 2HD1 ILE 17 3HD1 ILE 17 6.301 -0.923 8.875 198 3HD1 ILE 17 2HD1 ILE 17 7.511 -1.542 7.752 199 QG1 ILE 17 QG1 ILE 17 5.049 -1.155 6.952 200 QG2 ILE 17 QG2 ILE 17 4.944 -0.045 4.294 201 QD1 ILE 17 QD1 ILE 17 6.986 -0.760 8.140 202 H THR 18 H THR 18 6.165 -4.221 6.264 203 HA THR 18 HA THR 18 3.915 -5.095 4.504 204 HB THR 18 HB THR 18 4.301 -7.266 5.631 205 HG1 THR 18 1HG THR 18 6.074 -7.355 7.105 206 1HG2 THR 18 2HG2 THR 18 6.020 -5.999 3.849 207 2HG2 THR 18 1HG2 THR 18 7.101 -6.609 5.102 208 3HG2 THR 18 3HG2 THR 18 6.028 -7.718 4.247 209 QG2 THR 18 QG2 THR 18 6.383 -6.775 4.400 210 H ILE 19 H ILE 19 1.825 -5.144 5.298 211 HA ILE 19 HA ILE 19 1.391 -4.811 8.235 212 HB ILE 19 HB ILE 19 -0.231 -2.994 7.751 213 1HG1 ILE 19 2HG1 ILE 19 0.330 -2.058 5.249 214 2HG1 ILE 19 1HG1 ILE 19 0.412 -3.797 4.969 215 1HG2 ILE 19 2HG2 ILE 19 2.186 -2.521 8.236 216 2HG2 ILE 19 1HG2 ILE 19 2.473 -2.444 6.497 217 3HG2 ILE 19 3HG2 ILE 19 1.403 -1.272 7.268 218 1HD1 ILE 19 1HD1 ILE 19 -1.828 -3.982 6.152 219 2HD1 ILE 19 3HD1 ILE 19 -1.913 -2.221 6.099 220 3HD1 ILE 19 2HD1 ILE 19 -1.871 -3.147 4.598 221 QG1 ILE 19 QG1 ILE 19 0.371 -2.928 5.109 222 QG2 ILE 19 QG2 ILE 19 2.021 -2.079 7.334 223 QD1 ILE 19 QD1 ILE 19 -1.871 -3.117 5.616 224 H GLU 20 H GLU 20 -0.316 -6.032 8.964 225 HA GLU 20 HA GLU 20 -1.667 -7.850 7.115 226 1HB GLU 20 2HB GLU 20 -1.816 -7.274 10.086 227 2HB GLU 20 1HB GLU 20 -2.768 -8.541 9.311 228 1HG GLU 20 2HG GLU 20 -0.348 -9.159 8.306 229 2HG GLU 20 1HG GLU 20 0.162 -8.417 9.823 230 QB GLU 20 QB GLU 20 -2.292 -7.907 9.698 231 QG GLU 20 QG GLU 20 -0.093 -8.788 9.065 232 H ALA 21 H ALA 21 -3.978 -7.937 6.798 233 HA ALA 21 HA ALA 21 -5.728 -5.817 7.789 234 1HB ALA 21 2HB ALA 21 -4.406 -5.738 5.098 235 2HB ALA 21 1HB ALA 21 -6.054 -5.125 5.242 236 3HB ALA 21 3HB ALA 21 -4.759 -4.411 6.204 237 QB ALA 21 QB ALA 21 -5.073 -5.092 5.515 238 H VAL 22 H VAL 22 -7.944 -6.069 6.854 239 HA VAL 22 HA VAL 22 -8.891 -8.714 6.800 240 HB VAL 22 HB VAL 22 -10.241 -6.699 7.226 241 1HG1 VAL 22 3HG1 VAL 22 -9.015 -5.434 5.301 242 2HG1 VAL 22 2HG1 VAL 22 -10.254 -6.139 4.265 243 3HG1 VAL 22 1HG1 VAL 22 -10.717 -5.074 5.593 244 1HG2 VAL 22 3HG2 VAL 22 -11.393 -8.752 6.469 245 2HG2 VAL 22 2HG2 VAL 22 -12.223 -7.308 5.890 246 3HG2 VAL 22 1HG2 VAL 22 -11.203 -8.238 4.793 247 QG1 VAL 22 QG1 VAL 22 -9.995 -5.549 5.053 248 QG2 VAL 22 QG2 VAL 22 -11.607 -8.099 5.717 249 QQG VAL 22 QQG VAL 22 -10.801 -6.824 5.385 250 H ASP 23 H ASP 23 -7.966 -6.608 4.097 251 HA ASP 23 HA ASP 23 -7.475 -8.917 2.353 252 1HB ASP 23 2HB ASP 23 -9.880 -7.133 2.171 253 2HB ASP 23 1HB ASP 23 -9.143 -7.689 0.668 254 QB ASP 23 QB ASP 23 -9.511 -7.411 1.419 255 H ALA 24 H ALA 24 -6.787 -7.976 0.081 256 HA ALA 24 HA ALA 24 -4.702 -6.061 0.470 257 1HB ALA 24 2HB ALA 24 -5.309 -7.860 -1.423 258 2HB ALA 24 1HB ALA 24 -5.959 -6.427 -2.220 259 3HB ALA 24 3HB ALA 24 -4.255 -6.483 -1.762 260 QB ALA 24 QB ALA 24 -5.174 -6.923 -1.801 261 H ALA 25 H ALA 25 -8.090 -5.713 -0.412 262 HA ALA 25 HA ALA 25 -8.118 -3.098 -1.486 263 1HB ALA 25 3HB ALA 25 -10.109 -4.535 0.297 264 2HB ALA 25 2HB ALA 25 -10.483 -3.130 -0.700 265 3HB ALA 25 1HB ALA 25 -10.027 -4.655 -1.460 266 QB ALA 25 QB ALA 25 -10.206 -4.107 -0.621 267 H GLU 26 H GLU 26 -8.375 -4.190 1.902 268 HA GLU 26 HA GLU 26 -8.531 -1.539 3.052 269 1HB GLU 26 2HB GLU 26 -9.233 -3.743 4.086 270 2HB GLU 26 1HB GLU 26 -7.523 -4.131 4.278 271 1HG GLU 26 2HG GLU 26 -8.170 -3.190 6.363 272 2HG GLU 26 1HG GLU 26 -7.328 -1.887 5.522 273 QB GLU 26 QB GLU 26 -8.378 -3.937 4.182 274 QG GLU 26 QG GLU 26 -7.749 -2.539 5.942 275 H ALA 27 H ALA 27 -5.876 -3.847 2.483 276 HA ALA 27 HA ALA 27 -3.738 -2.417 3.694 277 1HB ALA 27 3HB ALA 27 -4.150 -4.527 1.679 278 2HB ALA 27 2HB ALA 27 -2.651 -3.623 1.451 279 3HB ALA 27 1HB ALA 27 -2.965 -4.443 2.983 280 QB ALA 27 QB ALA 27 -3.256 -4.198 2.038 281 H GLU 28 H GLU 28 -5.025 -2.239 0.362 282 HA GLU 28 HA GLU 28 -3.232 -0.278 -0.669 283 1HB GLU 28 2HB GLU 28 -5.076 -1.755 -1.781 284 2HB GLU 28 1HB GLU 28 -6.166 -0.433 -1.364 285 1HG GLU 28 2HG GLU 28 -4.371 1.089 -2.486 286 2HG GLU 28 1HG GLU 28 -3.805 -0.402 -3.240 287 QB GLU 28 QB GLU 28 -5.621 -1.094 -1.573 288 QG GLU 28 QG GLU 28 -4.088 0.343 -2.863 289 H LYS 29 H LYS 29 -6.235 0.031 1.217 290 HA LYS 29 HA LYS 29 -6.422 2.920 1.061 291 1HB LYS 29 2HB LYS 29 -7.424 0.888 3.091 292 2HB LYS 29 1HB LYS 29 -7.978 2.559 2.987 293 1HG LYS 29 2HG LYS 29 -8.159 1.405 0.367 294 2HG LYS 29 1HG LYS 29 -8.911 0.291 1.507 295 1HD LYS 29 2HD LYS 29 -10.655 1.770 0.868 296 2HD LYS 29 1HD LYS 29 -10.134 2.348 2.452 297 1HE LYS 29 2HE LYS 29 -8.606 3.983 1.260 298 2HE LYS 29 1HE LYS 29 -9.401 3.509 -0.254 299 1HZ LYS 29 3HZ LYS 29 -11.544 4.027 0.761 300 2HZ LYS 29 2HZ LYS 29 -10.763 4.533 2.183 301 3HZ LYS 29 1HZ LYS 29 -10.540 5.394 0.735 302 QB LYS 29 QB LYS 29 -7.701 1.723 3.039 303 QG LYS 29 QG LYS 29 -8.535 0.848 0.937 304 QD LYS 29 QD LYS 29 -10.394 2.059 1.660 305 QE LYS 29 QE LYS 29 -9.004 3.746 0.503 306 QZ LYS 29 QZ LYS 29 -10.949 4.651 1.226 307 H ILE 30 H ILE 30 -5.231 0.690 3.594 308 HA ILE 30 HA ILE 30 -4.202 2.634 5.410 309 HB ILE 30 HB ILE 30 -3.263 -0.181 4.722 310 1HG1 ILE 30 2HG1 ILE 30 -4.984 0.567 7.071 311 2HG1 ILE 30 1HG1 ILE 30 -5.726 0.364 5.485 312 1HG2 ILE 30 2HG2 ILE 30 -2.484 1.772 6.831 313 2HG2 ILE 30 1HG2 ILE 30 -2.728 0.106 7.356 314 3HG2 ILE 30 3HG2 ILE 30 -1.545 0.471 6.100 315 1HD1 ILE 30 2HD1 ILE 30 -3.820 -1.756 6.338 316 2HD1 ILE 30 1HD1 ILE 30 -5.366 -1.696 7.187 317 3HD1 ILE 30 3HD1 ILE 30 -5.329 -1.896 5.435 318 QG1 ILE 30 QG1 ILE 30 -5.355 0.466 6.278 319 QG2 ILE 30 QG2 ILE 30 -2.252 0.783 6.762 320 QD1 ILE 30 QD1 ILE 30 -4.838 -1.782 6.320 321 H PHE 31 H PHE 31 -2.756 1.026 2.596 322 HA PHE 31 HA PHE 31 -0.142 2.263 2.847 323 1HB PHE 31 2HB PHE 31 -1.700 0.763 0.740 324 2HB PHE 31 1HB PHE 31 -0.139 1.480 0.343 325 HD1 PHE 31 1HD PHE 31 1.504 1.110 2.672 326 HD2 PHE 31 2HD PHE 31 -1.456 -1.531 1.024 327 HE1 PHE 31 1HE PHE 31 2.656 -0.827 3.708 328 HE2 PHE 31 2HE PHE 31 -0.304 -3.466 2.062 329 1HZ PHE 31 HZ PHE 31 1.752 -3.116 3.403 330 QB PHE 31 QB PHE 31 -0.919 1.122 0.541 331 QG PHE 31 QD PHE 31 0.024 -0.211 1.848 332 QZ PHE 31 QE PHE 31 1.176 -2.147 2.885 333 QZ PHE 31 QR PHE 31 0.831 -1.566 2.574 334 H LYS 32 H LYS 32 -3.141 3.021 1.104 335 HA LYS 32 HA LYS 32 -2.038 5.289 -0.310 336 1HB LYS 32 2HB LYS 32 -4.755 4.094 0.124 337 2HB LYS 32 1HB LYS 32 -4.580 5.645 -0.692 338 1HG LYS 32 2HG LYS 32 -3.110 4.666 -2.362 339 2HG LYS 32 1HG LYS 32 -3.125 3.117 -1.519 340 1HD LYS 32 2HD LYS 32 -5.404 2.726 -2.048 341 2HD LYS 32 1HD LYS 32 -5.676 4.414 -2.482 342 1HE LYS 32 2HE LYS 32 -3.884 3.994 -4.335 343 2HE LYS 32 1HE LYS 32 -4.243 2.279 -4.058 344 1HZ LYS 32 1HZ LYS 32 -6.289 4.376 -4.551 345 2HZ LYS 32 3HZ LYS 32 -5.724 3.294 -5.728 346 3HZ LYS 32 2HZ LYS 32 -6.572 2.710 -4.376 347 QB LYS 32 QB LYS 32 -4.667 4.870 -0.284 348 QG LYS 32 QG LYS 32 -3.118 3.892 -1.941 349 QD LYS 32 QD LYS 32 -5.540 3.570 -2.265 350 QE LYS 32 QE LYS 32 -4.063 3.137 -4.196 351 QZ LYS 32 QZ LYS 32 -6.195 3.460 -4.885 352 H GLN 33 H GLN 33 -2.646 4.938 2.935 353 HA GLN 33 HA GLN 33 -3.604 7.775 3.269 354 1HB GLN 33 2HB GLN 33 -4.623 5.552 4.356 355 2HB GLN 33 1HB GLN 33 -3.303 5.789 5.499 356 1HG GLN 33 2HG GLN 33 -4.134 7.868 6.218 357 2HG GLN 33 1HG GLN 33 -5.132 8.070 4.777 358 1HE2 GLN 33 2HE2 GLN 33 -7.273 6.957 7.691 359 2HE2 GLN 33 1HE2 GLN 33 -6.176 8.237 7.489 360 QB GLN 33 QB GLN 33 -3.963 5.671 4.928 361 QG GLN 33 QG GLN 33 -4.633 7.969 5.497 362 QE2 GLN 33 QE2 GLN 33 -6.724 7.597 7.590 363 H TYR 34 H TYR 34 -1.372 5.301 4.277 364 HA TYR 34 HA TYR 34 0.561 6.677 5.799 365 1HB TYR 34 2HB TYR 34 0.590 4.326 5.665 366 2HB TYR 34 1HB TYR 34 0.321 4.333 3.918 367 HD1 TYR 34 2HD TYR 34 2.893 5.440 6.455 368 HD2 TYR 34 1HD TYR 34 2.149 3.799 2.556 369 HE1 TYR 34 2HE TYR 34 5.333 5.157 6.108 370 HE2 TYR 34 1HE TYR 34 4.588 3.515 2.209 371 HH TYR 34 HH TYR 34 6.730 3.310 4.309 372 QB TYR 34 QB TYR 34 0.456 4.330 4.792 373 QG TYR 34 QD TYR 34 2.521 4.620 4.505 374 QZ TYR 34 QE TYR 34 4.960 4.336 4.159 375 QR TYR 34 QR TYR 34 3.741 4.478 4.332 376 H ALA 35 H ALA 35 -0.014 6.530 2.323 377 HA ALA 35 HA ALA 35 2.442 7.712 1.359 378 1HB ALA 35 2HB ALA 35 -0.271 6.999 0.409 379 2HB ALA 35 1HB ALA 35 0.464 8.360 -0.449 380 3HB ALA 35 3HB ALA 35 1.289 6.797 -0.392 381 QB ALA 35 QB ALA 35 0.494 7.385 -0.144 382 H ASN 36 H ASN 36 -0.844 9.108 1.506 383 HA ASN 36 HA ASN 36 -0.190 11.826 1.109 384 1HB ASN 36 2HB ASN 36 -2.385 10.437 2.667 385 2HB ASN 36 1HB ASN 36 -2.407 12.164 2.307 386 1HD2 ASN 36 2HD2 ASN 36 -3.261 9.477 -0.637 387 2HD2 ASN 36 1HD2 ASN 36 -2.752 8.950 0.894 388 QB ASN 36 QB ASN 36 -2.396 11.300 2.487 389 QD2 ASN 36 QD2 ASN 36 -3.007 9.213 0.128 390 H ASP 37 H ASP 37 -0.411 9.987 4.152 391 HA ASP 37 HA ASP 37 -0.138 12.009 6.063 392 1HB ASP 37 2HB ASP 37 0.634 9.153 5.796 393 2HB ASP 37 1HB ASP 37 1.359 10.035 7.140 394 QB ASP 37 QB ASP 37 0.996 9.594 6.468 395 H ASN 38 H ASN 38 2.273 10.802 3.872 396 HA ASN 38 HA ASN 38 4.365 12.445 5.167 397 1HB ASN 38 2HB ASN 38 4.594 9.931 4.697 398 2HB ASN 38 1HB ASN 38 4.695 10.379 2.993 399 1HD2 ASN 38 2HD2 ASN 38 8.038 10.525 5.079 400 2HD2 ASN 38 1HD2 ASN 38 6.693 9.549 5.429 401 QB ASN 38 QB ASN 38 4.644 10.155 3.845 402 QD2 ASN 38 QD2 ASN 38 7.365 10.037 5.254 403 H GLY 39 H GLY 39 3.203 11.569 1.906 404 1HA GLY 39 2HA GLY 39 2.598 13.801 0.625 405 2HA GLY 39 1HA GLY 39 4.334 14.083 0.812 406 QA GLY 39 QA GLY 39 3.466 13.942 0.718 407 H ILE 40 H ILE 40 2.175 11.402 -0.134 408 HA ILE 40 HA ILE 40 4.140 10.656 -2.279 409 HB ILE 40 HB ILE 40 2.197 9.206 -0.511 410 1HG1 ILE 40 2HG1 ILE 40 4.773 10.127 0.003 411 2HG1 ILE 40 1HG1 ILE 40 3.905 8.926 0.939 412 1HG2 ILE 40 3HG2 ILE 40 2.300 8.139 -2.743 413 2HG2 ILE 40 2HG2 ILE 40 4.047 7.971 -2.555 414 3HG2 ILE 40 1HG2 ILE 40 2.954 7.108 -1.468 415 1HD1 ILE 40 1HD1 ILE 40 5.533 8.170 -1.476 416 2HD1 ILE 40 3HD1 ILE 40 6.258 8.315 0.128 417 3HD1 ILE 40 2HD1 ILE 40 4.974 7.136 -0.154 418 QG1 ILE 40 QG1 ILE 40 4.339 9.526 0.471 419 QG2 ILE 40 QG2 ILE 40 3.100 7.739 -2.255 420 QD1 ILE 40 QD1 ILE 40 5.589 7.874 -0.501 421 H ASP 41 H ASP 41 3.287 10.621 -4.386 422 HA ASP 41 HA ASP 41 0.467 10.115 -4.932 423 1HB ASP 41 2HB ASP 41 0.984 12.618 -4.031 424 2HB ASP 41 1HB ASP 41 1.242 12.861 -5.759 425 QB ASP 41 QB ASP 41 1.113 12.739 -4.895 426 H GLY 42 H GLY 42 1.139 8.694 -6.567 427 1HA GLY 42 2HA GLY 42 2.048 9.951 -9.066 428 2HA GLY 42 1HA GLY 42 3.132 8.726 -8.409 429 QA GLY 42 QA GLY 42 2.590 9.339 -8.737 430 H GLU 43 H GLU 43 2.608 6.570 -8.690 431 HA GLU 43 HA GLU 43 -0.043 5.971 -9.989 432 1HB GLU 43 2HB GLU 43 2.340 5.948 -11.226 433 2HB GLU 43 1HB GLU 43 2.386 4.325 -10.535 434 1HG GLU 43 2HG GLU 43 -0.024 4.100 -11.500 435 2HG GLU 43 1HG GLU 43 0.424 5.476 -12.509 436 QB GLU 43 QB GLU 43 2.363 5.137 -10.880 437 QG GLU 43 QG GLU 43 0.200 4.788 -12.005 438 H TRP 44 H TRP 44 -1.187 4.296 -9.052 439 HA TRP 44 HA TRP 44 0.167 2.667 -6.903 440 1HB TRP 44 2HB TRP 44 -2.580 3.835 -7.320 441 2HB TRP 44 1HB TRP 44 -2.387 2.405 -6.299 442 HD1 TRP 44 HD TRP 44 -1.416 6.097 -6.499 443 HE1 TRP 44 1HE TRP 44 -0.567 6.833 -4.176 444 HE3 TRP 44 3HE TRP 44 -1.349 1.581 -4.145 445 HZ2 TRP 44 2HZ TRP 44 0.066 5.648 -1.648 446 HZ3 TRP 44 3HZ TRP 44 -0.616 1.408 -1.775 447 HH2 TRP 44 HH TRP 44 0.095 3.435 -0.535 448 QB TRP 44 QB TRP 44 -2.483 3.120 -6.810 449 H THR 45 H THR 45 0.250 0.497 -7.213 450 HA THR 45 HA THR 45 -1.675 -0.803 -9.081 451 HB THR 45 HB THR 45 0.060 -1.781 -10.394 452 HG1 THR 45 1HG THR 45 2.261 -1.503 -9.789 453 1HG2 THR 45 2HG2 THR 45 -0.340 0.613 -10.898 454 2HG2 THR 45 1HG2 THR 45 0.964 1.043 -9.787 455 3HG2 THR 45 3HG2 THR 45 1.320 0.132 -11.258 456 QG2 THR 45 QG2 THR 45 0.648 0.596 -10.647 457 H TYR 46 H TYR 46 -2.327 -2.727 -8.244 458 HA TYR 46 HA TYR 46 -0.960 -3.721 -5.792 459 1HB TYR 46 2HB TYR 46 -3.323 -3.302 -5.595 460 2HB TYR 46 1HB TYR 46 -3.667 -4.195 -7.078 461 HD1 TYR 46 1HD TYR 46 -1.720 -4.832 -3.930 462 HD2 TYR 46 2HD TYR 46 -4.646 -6.282 -6.717 463 HE1 TYR 46 1HE TYR 46 -1.911 -6.931 -2.632 464 HE2 TYR 46 2HE TYR 46 -4.839 -8.386 -5.417 465 HH TYR 46 HH TYR 46 -3.325 -9.699 -3.813 466 QB TYR 46 QB TYR 46 -3.495 -3.748 -6.336 467 QG TYR 46 QD TYR 46 -3.183 -5.557 -5.323 468 QZ TYR 46 QE TYR 46 -3.375 -7.659 -4.024 469 QR TYR 46 QR TYR 46 -3.279 -6.608 -4.674 470 H ASP 47 H ASP 47 0.063 -5.708 -5.762 471 HA ASP 47 HA ASP 47 0.175 -7.237 -8.335 472 1HB ASP 47 2HB ASP 47 2.036 -7.123 -5.935 473 2HB ASP 47 1HB ASP 47 2.330 -8.053 -7.403 474 QB ASP 47 QB ASP 47 2.183 -7.588 -6.669 475 H ASP 48 H ASP 48 -1.577 -8.666 -8.072 476 HA ASP 48 HA ASP 48 -2.251 -9.988 -5.602 477 1HB ASP 48 2HB ASP 48 -3.701 -11.335 -7.112 478 2HB ASP 48 1HB ASP 48 -3.826 -9.608 -7.438 479 QB ASP 48 QB ASP 48 -3.764 -10.472 -7.275 480 H ALA 49 H ALA 49 0.381 -10.515 -7.675 481 HA ALA 49 HA ALA 49 0.533 -13.433 -7.283 482 1HB ALA 49 1HB ALA 49 1.176 -12.219 -9.394 483 2HB ALA 49 3HB ALA 49 2.490 -11.455 -8.500 484 3HB ALA 49 2HB ALA 49 2.481 -13.204 -8.733 485 QB ALA 49 QB ALA 49 2.049 -12.293 -8.876 486 H THR 50 H THR 50 1.896 -10.453 -5.989 487 HA THR 50 HA THR 50 3.478 -12.082 -4.028 488 HB THR 50 HB THR 50 5.074 -10.162 -4.083 489 HG1 THR 50 1HG THR 50 3.494 -9.283 -6.263 490 1HG2 THR 50 3HG2 THR 50 5.024 -12.213 -5.737 491 2HG2 THR 50 2HG2 THR 50 4.645 -10.976 -6.935 492 3HG2 THR 50 1HG2 THR 50 6.147 -10.883 -6.014 493 QG2 THR 50 QG2 THR 50 5.272 -11.357 -6.228 494 H LYS 51 H LYS 51 0.732 -10.299 -4.296 495 HA LYS 51 HA LYS 51 -0.568 -9.035 -2.790 496 1HB LYS 51 2HB LYS 51 1.369 -10.345 -0.847 497 2HB LYS 51 1HB LYS 51 -0.198 -9.655 -0.424 498 1HG LYS 51 2HG LYS 51 0.111 -11.859 -2.474 499 2HG LYS 51 1HG LYS 51 -0.165 -12.183 -0.762 500 1HD LYS 51 2HD LYS 51 -2.276 -11.034 -0.800 501 2HD LYS 51 1HD LYS 51 -1.967 -10.401 -2.418 502 1HE LYS 51 2HE LYS 51 -2.582 -12.357 -3.436 503 2HE LYS 51 1HE LYS 51 -1.843 -13.359 -2.170 504 1HZ LYS 51 1HZ LYS 51 -4.270 -11.713 -1.723 505 2HZ LYS 51 3HZ LYS 51 -4.340 -13.344 -2.183 506 3HZ LYS 51 2HZ LYS 51 -3.625 -12.910 -0.704 507 QB LYS 51 QB LYS 51 0.586 -10.000 -0.635 508 QG LYS 51 QG LYS 51 -0.027 -12.021 -1.618 509 QD LYS 51 QD LYS 51 -2.122 -10.718 -1.609 510 QE LYS 51 QE LYS 51 -2.213 -12.858 -2.803 511 QZ LYS 51 QZ LYS 51 -4.078 -12.655 -1.537 512 H THR 52 H THR 52 1.656 -7.678 -4.033 513 HA THR 52 HA THR 52 2.372 -5.728 -1.854 514 HB THR 52 HB THR 52 4.037 -6.393 -4.290 515 HG1 THR 52 1HG THR 52 4.267 -7.489 -1.687 516 1HG2 THR 52 2HG2 THR 52 4.481 -4.969 -1.672 517 2HG2 THR 52 1HG2 THR 52 5.834 -5.605 -2.607 518 3HG2 THR 52 3HG2 THR 52 4.777 -4.380 -3.307 519 QG2 THR 52 QG2 THR 52 5.030 -4.984 -2.529 520 H PHE 53 H PHE 53 1.993 -3.573 -2.344 521 HA PHE 53 HA PHE 53 0.631 -2.980 -4.906 522 1HB PHE 53 2HB PHE 53 1.050 -1.529 -2.284 523 2HB PHE 53 1HB PHE 53 0.222 -0.787 -3.654 524 HD1 PHE 53 2HD PHE 53 0.130 -3.661 -1.284 525 HD2 PHE 53 1HD PHE 53 -2.041 -1.364 -4.202 526 HE1 PHE 53 2HE PHE 53 -1.971 -4.825 -0.645 527 HE2 PHE 53 1HE PHE 53 -4.129 -2.530 -3.557 528 1HZ PHE 53 HZ PHE 53 -4.094 -4.256 -1.782 529 QB PHE 53 QB PHE 53 0.636 -1.158 -2.969 530 QG PHE 53 QD PHE 53 -0.956 -2.512 -2.743 531 QZ PHE 53 QE PHE 53 -3.050 -3.677 -2.101 532 QZ PHE 53 QR PHE 53 -2.421 -3.327 -2.294 533 H THR 54 H THR 54 1.318 -0.345 -5.456 534 HA THR 54 HA THR 54 4.243 -0.018 -5.348 535 HB THR 54 HB THR 54 3.044 -0.044 -8.092 536 HG1 THR 54 1HG THR 54 2.431 -2.034 -7.776 537 1HG2 THR 54 3HG2 THR 54 5.489 0.508 -7.275 538 2HG2 THR 54 2HG2 THR 54 5.662 -1.246 -7.277 539 3HG2 THR 54 1HG2 THR 54 5.235 -0.402 -8.764 540 QG2 THR 54 QG2 THR 54 5.462 -0.380 -7.772 541 H VAL 55 H VAL 55 3.863 1.980 -4.439 542 HA VAL 55 HA VAL 55 2.013 3.847 -5.822 543 HB VAL 55 HB VAL 55 1.617 3.612 -3.477 544 1HG1 VAL 55 1HG1 VAL 55 4.589 4.087 -3.131 545 2HG1 VAL 55 3HG1 VAL 55 3.427 4.165 -1.806 546 3HG1 VAL 55 2HG1 VAL 55 3.653 2.651 -2.681 547 1HG2 VAL 55 3HG2 VAL 55 1.553 5.940 -4.377 548 2HG2 VAL 55 2HG2 VAL 55 1.927 5.879 -2.655 549 3HG2 VAL 55 1HG2 VAL 55 3.213 6.163 -3.826 550 QG1 VAL 55 QG1 VAL 55 3.890 3.635 -2.540 551 QG2 VAL 55 QG2 VAL 55 2.231 5.994 -3.619 552 QQG VAL 55 QQG VAL 55 3.060 4.814 -3.079 553 H THR 56 H THR 56 3.292 4.408 -7.618 554 HA THR 56 HA THR 56 6.003 5.418 -7.409 555 HB THR 56 HB THR 56 3.797 5.175 -9.421 556 HG1 THR 56 1HG THR 56 5.294 3.574 -9.315 557 1HG2 THR 56 3HG2 THR 56 6.171 7.006 -9.877 558 2HG2 THR 56 2HG2 THR 56 5.037 6.478 -11.118 559 3HG2 THR 56 1HG2 THR 56 4.480 7.505 -9.796 560 QG2 THR 56 QG2 THR 56 5.229 6.996 -10.264 561 H GLU 57 H GLU 57 6.409 7.824 -8.085 562 HA GLU 57 HA GLU 57 4.345 9.624 -6.861 563 1HB GLU 57 2HB GLU 57 6.430 8.891 -5.462 564 2HB GLU 57 1HB GLU 57 7.317 9.998 -6.510 565 1HG GLU 57 2HG GLU 57 5.247 11.594 -5.868 566 2HG GLU 57 1HG GLU 57 5.285 10.589 -4.418 567 QB GLU 57 QB GLU 57 6.873 9.444 -5.986 568 QG GLU 57 QG GLU 57 5.266 11.091 -5.143 No H/Q in entry = 568 Start of MODEL 15 1 1H MET 1 1HT MET 1 -2.784 -15.969 6.346 2 2H MET 1 3HT MET 1 -2.573 -16.083 8.025 3 3H MET 1 2HT MET 1 -3.782 -15.072 7.389 4 HA MET 1 HA MET 1 -1.917 -13.724 8.100 5 1HB MET 1 2HB MET 1 -0.498 -15.741 6.347 6 2HB MET 1 1HB MET 1 0.262 -14.228 6.839 7 1HG MET 1 2HG MET 1 -0.324 -14.885 9.243 8 2HG MET 1 1HG MET 1 -0.692 -16.488 8.607 9 1HE MET 1 3HE MET 1 0.900 -16.459 10.700 10 2HE MET 1 2HE MET 1 2.602 -16.863 10.497 11 3HE MET 1 1HE MET 1 2.120 -15.178 10.673 12 QB MET 1 QB MET 1 -0.118 -14.985 6.593 13 QG MET 1 QG MET 1 -0.508 -15.687 8.925 14 QE MET 1 QE MET 1 1.874 -16.166 10.623 15 H THR 2 H THR 2 -2.293 -11.802 7.083 16 HA THR 2 HA THR 2 -2.420 -11.759 4.085 17 HB THR 2 HB THR 2 -4.179 -10.278 6.068 18 HG1 THR 2 1HG THR 2 -5.760 -11.741 5.344 19 1HG2 THR 2 1HG2 THR 2 -3.872 -10.257 3.101 20 2HG2 THR 2 3HG2 THR 2 -5.506 -10.139 3.752 21 3HG2 THR 2 2HG2 THR 2 -4.292 -8.940 4.196 22 QG2 THR 2 QG2 THR 2 -4.556 -9.779 3.683 23 H THR 3 H THR 3 -0.170 -11.078 5.854 24 HA THR 3 HA THR 3 0.045 -8.259 6.326 25 HB THR 3 HB THR 3 2.334 -10.082 5.578 26 HG1 THR 3 1HG THR 3 1.904 -11.303 7.217 27 1HG2 THR 3 3HG2 THR 3 2.373 -7.526 6.360 28 2HG2 THR 3 2HG2 THR 3 2.273 -8.279 7.953 29 3HG2 THR 3 1HG2 THR 3 3.612 -8.672 6.875 30 QG2 THR 3 QG2 THR 3 2.753 -8.159 7.063 31 H PHE 4 H PHE 4 -0.659 -7.084 4.486 32 HA PHE 4 HA PHE 4 0.415 -7.604 1.814 33 1HB PHE 4 2HB PHE 4 -1.433 -5.681 3.171 34 2HB PHE 4 1HB PHE 4 -0.785 -5.228 1.594 35 HD1 PHE 4 2HD PHE 4 -0.831 -7.196 -0.208 36 HD2 PHE 4 1HD PHE 4 -3.400 -6.934 3.221 37 HE1 PHE 4 2HE PHE 4 -2.457 -8.701 -1.316 38 HE2 PHE 4 1HE PHE 4 -5.029 -8.437 2.111 39 1HZ PHE 4 HZ PHE 4 -4.558 -9.323 -0.156 40 QB PHE 4 QB PHE 4 -1.109 -5.454 2.383 41 QG PHE 4 QD PHE 4 -2.115 -7.065 1.506 42 QZ PHE 4 QE PHE 4 -3.743 -8.569 0.397 43 QZ PHE 4 QR PHE 4 -3.255 -8.118 0.730 44 H LYS 5 H LYS 5 2.090 -6.491 0.805 45 HA LYS 5 HA LYS 5 3.706 -4.659 2.527 46 1HB LYS 5 2HB LYS 5 4.340 -6.213 -0.008 47 2HB LYS 5 1HB LYS 5 5.505 -5.272 0.920 48 1HG LYS 5 2HG LYS 5 5.879 -7.059 2.232 49 2HG LYS 5 1HG LYS 5 4.201 -6.998 2.770 50 1HD LYS 5 2HD LYS 5 4.583 -9.196 1.854 51 2HD LYS 5 1HD LYS 5 3.587 -8.313 0.696 52 1HE LYS 5 2HE LYS 5 5.256 -9.262 -0.680 53 2HE LYS 5 1HE LYS 5 5.904 -7.639 -0.367 54 1HZ LYS 5 2HZ LYS 5 6.491 -10.057 1.262 55 2HZ LYS 5 1HZ LYS 5 7.544 -9.383 0.110 56 3HZ LYS 5 3HZ LYS 5 7.137 -8.503 1.502 57 QB LYS 5 QB LYS 5 4.923 -5.742 0.456 58 QG LYS 5 QG LYS 5 5.040 -7.028 2.501 59 QD LYS 5 QD LYS 5 4.085 -8.755 1.275 60 QE LYS 5 QE LYS 5 5.580 -8.450 -0.524 61 QZ LYS 5 QZ LYS 5 7.057 -9.314 0.958 62 H LEU 6 H LEU 6 5.002 -3.034 0.959 63 HA LEU 6 HA LEU 6 3.325 -1.998 -1.250 64 1HB LEU 6 2HB LEU 6 2.328 -1.089 0.807 65 2HB LEU 6 1HB LEU 6 3.899 -0.469 1.312 66 HG LEU 6 HG LEU 6 3.861 0.788 -0.983 67 1HD1 LEU 6 2HD1 LEU 6 1.104 -0.297 -0.718 68 2HD1 LEU 6 1HD1 LEU 6 1.246 1.378 -1.254 69 3HD1 LEU 6 3HD1 LEU 6 2.027 0.089 -2.171 70 1HD2 LEU 6 2HD2 LEU 6 3.366 1.564 1.547 71 2HD2 LEU 6 1HD2 LEU 6 3.214 2.666 0.179 72 3HD2 LEU 6 3HD2 LEU 6 1.781 1.888 0.846 73 QB LEU 6 QB LEU 6 3.113 -0.779 1.059 74 QD1 LEU 6 QD1 LEU 6 1.459 0.390 -1.381 75 QD2 LEU 6 QD2 LEU 6 2.787 2.039 0.857 76 QQD LEU 6 QQD LEU 6 2.123 1.215 -0.262 77 H ILE 7 H ILE 7 4.959 -1.891 -2.760 78 HA ILE 7 HA ILE 7 7.678 -1.005 -2.042 79 HB ILE 7 HB ILE 7 6.327 -1.706 -4.680 80 1HG1 ILE 7 2HG1 ILE 7 8.261 -3.387 -3.070 81 2HG1 ILE 7 1HG1 ILE 7 6.514 -3.504 -2.853 82 1HG2 ILE 7 3HG2 ILE 7 9.120 -0.940 -3.918 83 2HG2 ILE 7 2HG2 ILE 7 8.903 -2.167 -5.168 84 3HG2 ILE 7 1HG2 ILE 7 8.213 -0.557 -5.382 85 1HD1 ILE 7 3HD1 ILE 7 6.429 -3.807 -5.430 86 2HD1 ILE 7 2HD1 ILE 7 8.152 -4.161 -5.297 87 3HD1 ILE 7 1HD1 ILE 7 6.976 -5.171 -4.454 88 QG1 ILE 7 QG1 ILE 7 7.388 -3.446 -2.962 89 QG2 ILE 7 QG2 ILE 7 8.746 -1.221 -4.822 90 QD1 ILE 7 QD1 ILE 7 7.186 -4.380 -5.061 91 H ILE 8 H ILE 8 8.107 1.178 -1.963 92 HA ILE 8 HA ILE 8 6.165 3.042 -3.162 93 HB ILE 8 HB ILE 8 8.702 3.776 -1.704 94 1HG1 ILE 8 2HG1 ILE 8 7.374 2.038 -0.384 95 2HG1 ILE 8 1HG1 ILE 8 7.592 3.578 0.426 96 1HG2 ILE 8 1HG2 ILE 8 6.093 5.060 -2.414 97 2HG2 ILE 8 3HG2 ILE 8 6.893 5.565 -0.921 98 3HG2 ILE 8 2HG2 ILE 8 7.730 5.731 -2.465 99 1HD1 ILE 8 3HD1 ILE 8 5.123 2.933 -1.190 100 2HD1 ILE 8 2HD1 ILE 8 5.249 2.574 0.530 101 3HD1 ILE 8 1HD1 ILE 8 5.346 4.245 -0.030 102 QG1 ILE 8 QG1 ILE 8 7.483 2.808 0.021 103 QG2 ILE 8 QG2 ILE 8 6.905 5.452 -1.933 104 QD1 ILE 8 QD1 ILE 8 5.239 3.250 -0.230 105 H ASN 9 H ASN 9 6.468 3.523 -5.309 106 HA ASN 9 HA ASN 9 9.209 3.501 -6.460 107 1HB ASN 9 2HB ASN 9 7.236 2.328 -7.497 108 2HB ASN 9 1HB ASN 9 6.493 3.907 -7.753 109 1HD2 ASN 9 2HD2 ASN 9 8.293 4.461 -10.718 110 2HD2 ASN 9 1HD2 ASN 9 6.937 4.818 -9.762 111 QB ASN 9 QB ASN 9 6.864 3.118 -7.625 112 QD2 ASN 9 QD2 ASN 9 7.615 4.639 -10.240 113 H GLY 10 H GLY 10 10.105 5.369 -7.467 114 1HA GLY 10 2HA GLY 10 9.705 7.703 -8.309 115 2HA GLY 10 1HA GLY 10 8.685 7.942 -6.890 116 QA GLY 10 QA GLY 10 9.195 7.823 -7.600 117 H LYS 11 H LYS 11 9.831 9.512 -5.792 118 HA LYS 11 HA LYS 11 12.599 8.772 -4.909 119 1HB LYS 11 2HB LYS 11 13.170 11.180 -5.179 120 2HB LYS 11 1HB LYS 11 12.672 10.451 -6.705 121 1HG LYS 11 2HG LYS 11 10.385 11.352 -6.380 122 2HG LYS 11 1HG LYS 11 10.909 12.111 -4.877 123 1HD LYS 11 2HD LYS 11 12.717 13.275 -6.273 124 2HD LYS 11 1HD LYS 11 11.813 12.739 -7.690 125 1HE LYS 11 2HE LYS 11 9.791 13.809 -6.207 126 2HE LYS 11 1HE LYS 11 11.142 14.856 -5.728 127 1HZ LYS 11 3HZ LYS 11 11.712 15.004 -8.135 128 2HZ LYS 11 2HZ LYS 11 10.245 14.224 -8.488 129 3HZ LYS 11 1HZ LYS 11 10.241 15.743 -7.729 130 QB LYS 11 QB LYS 11 12.921 10.816 -5.942 131 QG LYS 11 QG LYS 11 10.647 11.732 -5.628 132 QD LYS 11 QD LYS 11 12.265 13.007 -6.981 133 QE LYS 11 QE LYS 11 10.466 14.332 -5.968 134 QZ LYS 11 QZ LYS 11 10.733 14.990 -8.117 135 H THR 12 H THR 12 10.225 8.276 -3.421 136 HA THR 12 HA THR 12 10.729 9.980 -1.038 137 HB THR 12 HB THR 12 7.897 9.521 -1.939 138 HG1 THR 12 1HG THR 12 8.009 11.073 -3.379 139 1HG2 THR 12 1HG2 THR 12 8.762 10.520 0.327 140 2HG2 THR 12 3HG2 THR 12 9.028 11.976 -0.633 141 3HG2 THR 12 2HG2 THR 12 7.409 11.291 -0.500 142 QG2 THR 12 QG2 THR 12 8.400 11.262 -0.269 143 H LEU 13 H LEU 13 10.230 8.897 0.890 144 HA LEU 13 HA LEU 13 9.831 7.073 2.313 145 1HB LEU 13 2HB LEU 13 7.805 6.949 0.168 146 2HB LEU 13 1HB LEU 13 8.087 5.409 0.974 147 HG LEU 13 HG LEU 13 7.417 8.031 2.333 148 1HD1 LEU 13 1HD1 LEU 13 5.829 5.690 1.379 149 2HD1 LEU 13 3HD1 LEU 13 5.411 6.328 2.971 150 3HD1 LEU 13 2HD1 LEU 13 5.348 7.377 1.561 151 1HD2 LEU 13 1HD2 LEU 13 8.247 5.326 3.325 152 2HD2 LEU 13 3HD2 LEU 13 8.595 6.920 3.996 153 3HD2 LEU 13 2HD2 LEU 13 7.008 6.189 4.236 154 QB LEU 13 QB LEU 13 7.946 6.179 0.571 155 QD1 LEU 13 QD1 LEU 13 5.529 6.465 1.970 156 QD2 LEU 13 QD2 LEU 13 7.950 6.145 3.852 157 QQD LEU 13 QQD LEU 13 6.740 6.305 2.911 158 H LYS 14 H LYS 14 9.493 5.359 -0.798 159 HA LYS 14 HA LYS 14 10.685 3.524 -1.678 160 1HB LYS 14 2HB LYS 14 12.693 5.351 -0.415 161 2HB LYS 14 1HB LYS 14 13.250 3.771 -0.964 162 1HG LYS 14 2HG LYS 14 12.159 4.260 -3.192 163 2HG LYS 14 1HG LYS 14 11.881 5.906 -2.620 164 1HD LYS 14 2HD LYS 14 14.177 6.398 -2.528 165 2HD LYS 14 1HD LYS 14 14.636 4.697 -2.501 166 1HE LYS 14 2HE LYS 14 13.889 4.442 -4.842 167 2HE LYS 14 1HE LYS 14 13.412 6.151 -4.875 168 1HZ LYS 14 3HZ LYS 14 16.138 5.160 -4.218 169 2HZ LYS 14 2HZ LYS 14 15.682 5.807 -5.722 170 3HZ LYS 14 1HZ LYS 14 15.660 6.784 -4.331 171 QB LYS 14 QB LYS 14 12.972 4.561 -0.690 172 QG LYS 14 QG LYS 14 12.020 5.083 -2.906 173 QD LYS 14 QD LYS 14 14.407 5.547 -2.514 174 QE LYS 14 QE LYS 14 13.651 5.297 -4.858 175 QZ LYS 14 QZ LYS 14 15.827 5.917 -4.757 176 H GLY 15 H GLY 15 9.772 1.780 -0.544 177 1HA GLY 15 2HA GLY 15 11.389 0.174 1.091 178 2HA GLY 15 1HA GLY 15 10.400 1.134 2.194 179 QA GLY 15 QA GLY 15 10.895 0.654 1.643 180 H GLU 16 H GLU 16 9.762 -1.326 2.560 181 HA GLU 16 HA GLU 16 7.538 -2.068 0.691 182 1HB GLU 16 2HB GLU 16 9.600 -3.482 2.266 183 2HB GLU 16 1HB GLU 16 8.000 -4.221 2.337 184 1HG GLU 16 2HG GLU 16 8.074 -3.793 -0.291 185 2HG GLU 16 1HG GLU 16 9.815 -3.850 -0.011 186 QB GLU 16 QB GLU 16 8.800 -3.852 2.302 187 QG GLU 16 QG GLU 16 8.945 -3.822 -0.151 188 H ILE 17 H ILE 17 8.346 -2.148 4.194 189 HA ILE 17 HA ILE 17 6.952 -1.961 6.095 190 HB ILE 17 HB ILE 17 5.447 -0.243 4.093 191 1HG1 ILE 17 2HG1 ILE 17 7.816 0.398 4.331 192 2HG1 ILE 17 1HG1 ILE 17 6.769 1.610 5.063 193 1HG2 ILE 17 1HG2 ILE 17 5.180 -0.679 7.034 194 2HG2 ILE 17 3HG2 ILE 17 4.997 0.969 6.434 195 3HG2 ILE 17 2HG2 ILE 17 3.941 -0.309 5.835 196 1HD1 ILE 17 1HD1 ILE 17 7.135 0.335 7.277 197 2HD1 ILE 17 3HD1 ILE 17 8.462 -0.475 6.446 198 3HD1 ILE 17 2HD1 ILE 17 8.492 1.275 6.659 199 QG1 ILE 17 QG1 ILE 17 7.293 1.004 4.697 200 QG2 ILE 17 QG2 ILE 17 4.706 -0.006 6.435 201 QD1 ILE 17 QD1 ILE 17 8.030 0.378 6.794 202 H THR 18 H THR 18 6.286 -4.236 5.987 203 HA THR 18 HA THR 18 3.882 -5.007 4.503 204 HB THR 18 HB THR 18 4.287 -7.161 5.642 205 HG1 THR 18 1HG THR 18 5.276 -7.170 7.474 206 1HG2 THR 18 1HG2 THR 18 6.013 -5.894 3.869 207 2HG2 THR 18 3HG2 THR 18 7.086 -6.492 5.134 208 3HG2 THR 18 2HG2 THR 18 6.027 -7.609 4.275 209 QG2 THR 18 QG2 THR 18 6.375 -6.665 4.426 210 H ILE 19 H ILE 19 1.801 -4.977 5.280 211 HA ILE 19 HA ILE 19 1.367 -4.670 8.223 212 HB ILE 19 HB ILE 19 -0.239 -2.843 7.750 213 1HG1 ILE 19 2HG1 ILE 19 0.267 -1.891 5.262 214 2HG1 ILE 19 1HG1 ILE 19 0.404 -3.622 4.952 215 1HG2 ILE 19 1HG2 ILE 19 2.123 -2.309 8.250 216 2HG2 ILE 19 3HG2 ILE 19 2.500 -2.388 6.529 217 3HG2 ILE 19 2HG2 ILE 19 1.423 -1.132 7.139 218 1HD1 ILE 19 2HD1 ILE 19 -1.837 -3.708 6.376 219 2HD1 ILE 19 1HD1 ILE 19 -1.974 -2.032 5.839 220 3HD1 ILE 19 3HD1 ILE 19 -1.877 -3.334 4.653 221 QG1 ILE 19 QG1 ILE 19 0.335 -2.757 5.107 222 QG2 ILE 19 QG2 ILE 19 2.015 -1.943 7.306 223 QD1 ILE 19 QD1 ILE 19 -1.896 -3.024 5.623 224 H GLU 20 H GLU 20 -0.377 -5.842 8.957 225 HA GLU 20 HA GLU 20 -1.692 -7.711 7.139 226 1HB GLU 20 2HB GLU 20 -0.941 -7.824 9.688 227 2HB GLU 20 1HB GLU 20 -2.570 -7.202 9.960 228 1HG GLU 20 2HG GLU 20 -3.583 -9.124 9.197 229 2HG GLU 20 1HG GLU 20 -2.283 -9.483 8.060 230 QB GLU 20 QB GLU 20 -1.756 -7.513 9.824 231 QG GLU 20 QG GLU 20 -2.933 -9.303 8.629 232 H ALA 21 H ALA 21 -4.001 -7.819 6.781 233 HA ALA 21 HA ALA 21 -5.779 -5.672 7.653 234 1HB ALA 21 3HB ALA 21 -4.332 -5.629 5.046 235 2HB ALA 21 2HB ALA 21 -6.028 -5.147 5.021 236 3HB ALA 21 1HB ALA 21 -4.882 -4.283 6.045 237 QB ALA 21 QB ALA 21 -5.081 -5.020 5.371 238 H VAL 22 H VAL 22 -7.975 -5.981 6.720 239 HA VAL 22 HA VAL 22 -8.892 -8.639 6.704 240 HB VAL 22 HB VAL 22 -10.256 -6.620 7.087 241 1HG1 VAL 22 3HG1 VAL 22 -9.044 -5.386 5.144 242 2HG1 VAL 22 2HG1 VAL 22 -10.264 -6.133 4.113 243 3HG1 VAL 22 1HG1 VAL 22 -10.754 -5.045 5.411 244 1HG2 VAL 22 3HG2 VAL 22 -11.022 -8.628 5.008 245 2HG2 VAL 22 2HG2 VAL 22 -11.730 -8.329 6.593 246 3HG2 VAL 22 1HG2 VAL 22 -12.093 -7.249 5.248 247 QG1 VAL 22 QG1 VAL 22 -10.021 -5.521 4.889 248 QG2 VAL 22 QG2 VAL 22 -11.615 -8.069 5.616 249 QQG VAL 22 QQG VAL 22 -10.818 -6.795 5.253 250 H ASP 23 H ASP 23 -7.954 -6.566 3.983 251 HA ASP 23 HA ASP 23 -7.439 -8.896 2.277 252 1HB ASP 23 2HB ASP 23 -9.864 -7.154 2.084 253 2HB ASP 23 1HB ASP 23 -9.111 -7.666 0.574 254 QB ASP 23 QB ASP 23 -9.487 -7.410 1.329 255 H ALA 24 H ALA 24 -6.772 -7.978 -0.013 256 HA ALA 24 HA ALA 24 -4.658 -6.093 0.322 257 1HB ALA 24 2HB ALA 24 -5.304 -7.877 -1.543 258 2HB ALA 24 1HB ALA 24 -6.024 -6.468 -2.322 259 3HB ALA 24 3HB ALA 24 -4.300 -6.479 -1.943 260 QB ALA 24 QB ALA 24 -5.209 -6.941 -1.936 261 H ALA 25 H ALA 25 -8.063 -5.663 -0.468 262 HA ALA 25 HA ALA 25 -8.041 -3.046 -1.540 263 1HB ALA 25 3HB ALA 25 -9.919 -4.898 -0.224 264 2HB ALA 25 2HB ALA 25 -10.358 -3.198 -0.067 265 3HB ALA 25 1HB ALA 25 -10.148 -3.910 -1.667 266 QB ALA 25 QB ALA 25 -10.142 -4.002 -0.653 267 H GLU 26 H GLU 26 -8.433 -4.090 1.861 268 HA GLU 26 HA GLU 26 -8.469 -1.459 3.016 269 1HB GLU 26 2HB GLU 26 -9.209 -3.574 4.110 270 2HB GLU 26 1HB GLU 26 -7.533 -4.122 4.150 271 1HG GLU 26 2HG GLU 26 -7.581 -3.176 6.236 272 2HG GLU 26 1HG GLU 26 -7.243 -1.702 5.326 273 QB GLU 26 QB GLU 26 -8.371 -3.848 4.130 274 QG GLU 26 QG GLU 26 -7.412 -2.439 5.781 275 H ALA 27 H ALA 27 -5.833 -3.797 2.433 276 HA ALA 27 HA ALA 27 -3.674 -2.358 3.603 277 1HB ALA 27 3HB ALA 27 -4.104 -4.469 1.577 278 2HB ALA 27 2HB ALA 27 -2.581 -3.592 1.401 279 3HB ALA 27 1HB ALA 27 -2.957 -4.419 2.915 280 QB ALA 27 QB ALA 27 -3.214 -4.160 1.964 281 H GLU 28 H GLU 28 -4.956 -2.245 0.268 282 HA GLU 28 HA GLU 28 -3.171 -0.280 -0.780 283 1HB GLU 28 2HB GLU 28 -4.963 -1.819 -1.891 284 2HB GLU 28 1HB GLU 28 -6.089 -0.514 -1.521 285 1HG GLU 28 2HG GLU 28 -4.192 0.979 -2.640 286 2HG GLU 28 1HG GLU 28 -3.788 -0.539 -3.442 287 QB GLU 28 QB GLU 28 -5.526 -1.167 -1.706 288 QG GLU 28 QG GLU 28 -3.990 0.220 -3.041 289 H LYS 29 H LYS 29 -6.148 0.003 1.134 290 HA LYS 29 HA LYS 29 -6.318 2.905 0.850 291 1HB LYS 29 2HB LYS 29 -8.392 2.470 1.651 292 2HB LYS 29 1HB LYS 29 -7.967 0.777 1.563 293 1HG LYS 29 2HG LYS 29 -8.808 1.068 3.752 294 2HG LYS 29 1HG LYS 29 -7.067 1.022 3.952 295 1HD LYS 29 2HD LYS 29 -8.265 2.839 5.267 296 2HD LYS 29 1HD LYS 29 -6.957 3.417 4.251 297 1HE LYS 29 2HE LYS 29 -8.496 4.233 2.584 298 2HE LYS 29 1HE LYS 29 -9.866 3.426 3.379 299 1HZ LYS 29 1HZ LYS 29 -9.370 4.738 5.388 300 2HZ LYS 29 3HZ LYS 29 -8.174 5.584 4.531 301 3HZ LYS 29 2HZ LYS 29 -9.804 5.718 4.071 302 QB LYS 29 QB LYS 29 -8.180 1.623 1.607 303 QG LYS 29 QG LYS 29 -7.938 1.045 3.852 304 QD LYS 29 QD LYS 29 -7.611 3.128 4.759 305 QE LYS 29 QE LYS 29 -9.181 3.830 2.981 306 QZ LYS 29 QZ LYS 29 -9.116 5.347 4.663 307 H ILE 30 H ILE 30 -5.182 0.649 3.395 308 HA ILE 30 HA ILE 30 -4.344 2.650 5.286 309 HB ILE 30 HB ILE 30 -3.282 -0.142 4.693 310 1HG1 ILE 30 2HG1 ILE 30 -5.242 0.647 6.852 311 2HG1 ILE 30 1HG1 ILE 30 -5.790 0.202 5.237 312 1HG2 ILE 30 3HG2 ILE 30 -3.056 1.607 7.162 313 2HG2 ILE 30 2HG2 ILE 30 -2.559 -0.083 7.077 314 3HG2 ILE 30 1HG2 ILE 30 -1.734 1.131 6.098 315 1HD1 ILE 30 3HD1 ILE 30 -3.817 -1.646 6.450 316 2HD1 ILE 30 2HD1 ILE 30 -5.395 -1.600 7.240 317 3HD1 ILE 30 1HD1 ILE 30 -5.279 -2.003 5.527 318 QG1 ILE 30 QG1 ILE 30 -5.516 0.425 6.044 319 QG2 ILE 30 QG2 ILE 30 -2.450 0.885 6.779 320 QD1 ILE 30 QD1 ILE 30 -4.830 -1.750 6.405 321 H PHE 31 H PHE 31 -2.792 1.077 2.530 322 HA PHE 31 HA PHE 31 -0.195 2.340 2.874 323 1HB PHE 31 2HB PHE 31 -1.661 0.775 0.754 324 2HB PHE 31 1HB PHE 31 -0.121 1.540 0.363 325 HD1 PHE 31 1HD PHE 31 1.494 1.263 2.735 326 HD2 PHE 31 2HD PHE 31 -1.333 -1.506 1.059 327 HE1 PHE 31 1HE PHE 31 2.696 -0.617 3.818 328 HE2 PHE 31 2HE PHE 31 -0.128 -3.387 2.142 329 1HZ PHE 31 HZ PHE 31 1.885 -2.941 3.521 330 QB PHE 31 QB PHE 31 -0.891 1.158 0.558 331 QG PHE 31 QD PHE 31 0.081 -0.122 1.897 332 QZ PHE 31 QE PHE 31 1.284 -2.002 2.980 333 QZ PHE 31 QR PHE 31 0.923 -1.438 2.655 334 H LYS 32 H LYS 32 -3.131 3.033 0.985 335 HA LYS 32 HA LYS 32 -2.023 5.280 -0.437 336 1HB LYS 32 2HB LYS 32 -4.740 4.107 0.023 337 2HB LYS 32 1HB LYS 32 -4.585 5.674 -0.765 338 1HG LYS 32 2HG LYS 32 -3.183 4.753 -2.499 339 2HG LYS 32 1HG LYS 32 -3.093 3.199 -1.669 340 1HD LYS 32 2HD LYS 32 -5.264 2.612 -2.245 341 2HD LYS 32 1HD LYS 32 -5.795 4.289 -2.367 342 1HE LYS 32 2HE LYS 32 -3.909 4.202 -4.354 343 2HE LYS 32 1HE LYS 32 -4.574 2.559 -4.431 344 1HZ LYS 32 3HZ LYS 32 -6.807 3.510 -4.407 345 2HZ LYS 32 2HZ LYS 32 -6.154 5.078 -4.386 346 3HZ LYS 32 1HZ LYS 32 -5.925 4.078 -5.739 347 QB LYS 32 QB LYS 32 -4.663 4.891 -0.371 348 QG LYS 32 QG LYS 32 -3.138 3.976 -2.084 349 QD LYS 32 QD LYS 32 -5.530 3.450 -2.306 350 QE LYS 32 QE LYS 32 -4.241 3.381 -4.393 351 QZ LYS 32 QZ LYS 32 -6.295 4.222 -4.844 352 H GLN 33 H GLN 33 -2.771 4.966 2.830 353 HA GLN 33 HA GLN 33 -3.588 7.855 3.102 354 1HB GLN 33 2HB GLN 33 -4.954 6.039 4.211 355 2HB GLN 33 1HB GLN 33 -3.515 5.566 5.114 356 1HG GLN 33 2HG GLN 33 -4.493 7.002 6.644 357 2HG GLN 33 1HG GLN 33 -3.480 8.141 5.756 358 1HE2 GLN 33 2HE2 GLN 33 -7.172 9.214 5.931 359 2HE2 GLN 33 1HE2 GLN 33 -6.179 8.546 7.134 360 QB GLN 33 QB GLN 33 -4.234 5.802 4.662 361 QG GLN 33 QG GLN 33 -3.986 7.572 6.200 362 QE2 GLN 33 QE2 GLN 33 -6.676 8.880 6.533 363 H TYR 34 H TYR 34 -1.483 5.309 4.197 364 HA TYR 34 HA TYR 34 0.459 6.581 5.771 365 1HB TYR 34 2HB TYR 34 0.440 4.241 5.571 366 2HB TYR 34 1HB TYR 34 0.185 4.302 3.822 367 HD1 TYR 34 1HD TYR 34 2.691 4.569 6.558 368 HD2 TYR 34 2HD TYR 34 2.085 4.441 2.307 369 HE1 TYR 34 1HE TYR 34 5.123 4.220 6.223 370 HE2 TYR 34 2HE TYR 34 4.517 4.093 1.972 371 HH TYR 34 HH TYR 34 6.463 3.036 3.594 372 QB TYR 34 QB TYR 34 0.313 4.271 4.696 373 QG TYR 34 QD TYR 34 2.388 4.505 4.433 374 QZ TYR 34 QE TYR 34 4.820 4.156 4.097 375 QR TYR 34 QR TYR 34 3.604 4.331 4.265 376 H ALA 35 H ALA 35 0.107 6.428 2.243 377 HA ALA 35 HA ALA 35 2.604 7.661 1.470 378 1HB ALA 35 1HB ALA 35 -0.115 7.168 0.278 379 2HB ALA 35 3HB ALA 35 1.027 8.199 -0.583 380 3HB ALA 35 2HB ALA 35 1.450 6.524 -0.220 381 QB ALA 35 QB ALA 35 0.787 7.297 -0.175 382 H ASN 36 H ASN 36 -0.691 8.996 1.913 383 HA ASN 36 HA ASN 36 -0.134 11.704 1.253 384 1HB ASN 36 2HB ASN 36 -2.122 10.278 3.010 385 2HB ASN 36 1HB ASN 36 -2.146 12.036 2.869 386 1HD2 ASN 36 2HD2 ASN 36 -3.250 9.747 -0.350 387 2HD2 ASN 36 1HD2 ASN 36 -2.434 9.027 0.953 388 QB ASN 36 QB ASN 36 -2.134 11.157 2.939 389 QD2 ASN 36 QD2 ASN 36 -2.842 9.387 0.302 390 H ASP 37 H ASP 37 -0.088 10.094 4.446 391 HA ASP 37 HA ASP 37 0.637 12.355 6.006 392 1HB ASP 37 2HB ASP 37 -0.096 9.901 6.585 393 2HB ASP 37 1HB ASP 37 1.639 9.580 6.580 394 QB ASP 37 QB ASP 37 0.772 9.741 6.582 395 H ASN 38 H ASN 38 2.531 10.503 3.794 396 HA ASN 38 HA ASN 38 5.055 11.582 4.871 397 1HB ASN 38 2HB ASN 38 4.190 9.249 3.235 398 2HB ASN 38 1HB ASN 38 5.813 9.878 2.947 399 1HD2 ASN 38 2HD2 ASN 38 5.231 7.556 6.133 400 2HD2 ASN 38 1HD2 ASN 38 4.159 7.655 4.820 401 QB ASN 38 QB ASN 38 5.002 9.563 3.091 402 QD2 ASN 38 QD2 ASN 38 4.695 7.606 5.477 403 H GLY 39 H GLY 39 2.908 11.700 2.102 404 1HA GLY 39 2HA GLY 39 2.919 13.740 0.705 405 2HA GLY 39 1HA GLY 39 4.675 13.781 0.881 406 QA GLY 39 QA GLY 39 3.797 13.760 0.793 407 H ILE 40 H ILE 40 2.879 10.821 0.297 408 HA ILE 40 HA ILE 40 4.368 10.455 -2.249 409 HB ILE 40 HB ILE 40 3.112 8.801 -0.110 410 1HG1 ILE 40 2HG1 ILE 40 5.230 7.507 -0.483 411 2HG1 ILE 40 1HG1 ILE 40 5.662 8.699 -1.713 412 1HG2 ILE 40 3HG2 ILE 40 2.063 7.948 -2.252 413 2HG2 ILE 40 2HG2 ILE 40 3.694 7.582 -2.812 414 3HG2 ILE 40 1HG2 ILE 40 3.048 6.777 -1.380 415 1HD1 ILE 40 1HD1 ILE 40 4.924 9.434 1.121 416 2HD1 ILE 40 3HD1 ILE 40 6.592 9.173 0.592 417 3HD1 ILE 40 2HD1 ILE 40 5.633 10.480 -0.116 418 QG1 ILE 40 QG1 ILE 40 5.446 8.103 -1.098 419 QG2 ILE 40 QG2 ILE 40 2.935 7.436 -2.148 420 QD1 ILE 40 QD1 ILE 40 5.717 9.695 0.532 421 H ASP 41 H ASP 41 3.331 10.938 -4.093 422 HA ASP 41 HA ASP 41 0.458 10.270 -4.429 423 1HB ASP 41 2HB ASP 41 -0.042 12.609 -5.139 424 2HB ASP 41 1HB ASP 41 0.462 12.516 -3.452 425 QB ASP 41 QB ASP 41 0.210 12.562 -4.296 426 H GLY 42 H GLY 42 0.691 9.002 -6.243 427 1HA GLY 42 2HA GLY 42 1.434 10.246 -8.758 428 2HA GLY 42 1HA GLY 42 2.626 9.056 -8.237 429 QA GLY 42 QA GLY 42 2.030 9.651 -8.498 430 H GLU 43 H GLU 43 2.232 6.954 -8.791 431 HA GLU 43 HA GLU 43 -0.511 6.277 -9.810 432 1HB GLU 43 2HB GLU 43 1.991 6.119 -10.962 433 2HB GLU 43 1HB GLU 43 1.753 4.473 -10.380 434 1HG GLU 43 2HG GLU 43 -0.609 5.656 -11.708 435 2HG GLU 43 1HG GLU 43 0.784 5.421 -12.762 436 QB GLU 43 QB GLU 43 1.872 5.296 -10.671 437 QG GLU 43 QG GLU 43 0.087 5.538 -12.235 438 H TRP 44 H TRP 44 -0.880 3.750 -9.589 439 HA TRP 44 HA TRP 44 0.170 2.565 -7.056 440 1HB TRP 44 2HB TRP 44 -2.617 3.613 -7.558 441 2HB TRP 44 1HB TRP 44 -2.392 2.208 -6.512 442 HD1 TRP 44 HD TRP 44 -1.624 5.941 -6.721 443 HE1 TRP 44 1HE TRP 44 -0.897 6.749 -4.382 444 HE3 TRP 44 3HE TRP 44 -1.362 1.460 -4.316 445 HZ2 TRP 44 2HZ TRP 44 -0.278 5.630 -1.823 446 HZ3 TRP 44 3HZ TRP 44 -0.698 1.357 -1.921 447 HH2 TRP 44 HH TRP 44 -0.153 3.437 -0.683 448 QB TRP 44 QB TRP 44 -2.505 2.910 -7.035 449 H THR 45 H THR 45 0.320 0.372 -7.340 450 HA THR 45 HA THR 45 -1.548 -0.986 -9.226 451 HB THR 45 HB THR 45 0.208 -1.926 -10.525 452 HG1 THR 45 1HG THR 45 1.899 -2.479 -9.448 453 1HG2 THR 45 3HG2 THR 45 -0.186 0.455 -11.038 454 2HG2 THR 45 2HG2 THR 45 1.070 0.901 -9.881 455 3HG2 THR 45 1HG2 THR 45 1.492 0.002 -11.340 456 QG2 THR 45 QG2 THR 45 0.792 0.453 -10.753 457 H TYR 46 H TYR 46 -2.174 -2.916 -8.404 458 HA TYR 46 HA TYR 46 -0.848 -3.884 -5.919 459 1HB TYR 46 2HB TYR 46 -3.220 -3.476 -5.785 460 2HB TYR 46 1HB TYR 46 -3.520 -4.402 -7.260 461 HD1 TYR 46 1HD TYR 46 -1.674 -4.943 -4.029 462 HD2 TYR 46 2HD TYR 46 -4.453 -6.506 -6.905 463 HE1 TYR 46 1HE TYR 46 -1.888 -7.016 -2.692 464 HE2 TYR 46 2HE TYR 46 -4.667 -8.584 -5.567 465 HH TYR 46 HH TYR 46 -4.354 -9.244 -3.145 466 QB TYR 46 QB TYR 46 -3.370 -3.939 -6.523 467 QG TYR 46 QD TYR 46 -3.063 -5.724 -5.467 468 QZ TYR 46 QE TYR 46 -3.277 -7.800 -4.130 469 QR TYR 46 QR TYR 46 -3.170 -6.762 -4.798 470 H ASP 47 H ASP 47 0.166 -5.880 -5.852 471 HA ASP 47 HA ASP 47 0.358 -7.405 -8.421 472 1HB ASP 47 2HB ASP 47 2.150 -7.194 -5.977 473 2HB ASP 47 1HB ASP 47 2.478 -8.246 -7.354 474 QB ASP 47 QB ASP 47 2.314 -7.720 -6.666 475 H ASP 48 H ASP 48 -1.348 -8.879 -8.240 476 HA ASP 48 HA ASP 48 -2.118 -10.190 -5.785 477 1HB ASP 48 2HB ASP 48 -3.497 -11.553 -7.345 478 2HB ASP 48 1HB ASP 48 -3.619 -9.829 -7.690 479 QB ASP 48 QB ASP 48 -3.558 -10.691 -7.518 480 H ALA 49 H ALA 49 0.622 -10.682 -7.704 481 HA ALA 49 HA ALA 49 0.780 -13.603 -7.292 482 1HB ALA 49 3HB ALA 49 1.580 -11.964 -9.282 483 2HB ALA 49 2HB ALA 49 3.052 -11.962 -8.310 484 3HB ALA 49 1HB ALA 49 2.406 -13.482 -8.928 485 QB ALA 49 QB ALA 49 2.346 -12.469 -8.840 486 H THR 50 H THR 50 2.024 -10.591 -5.964 487 HA THR 50 HA THR 50 3.558 -12.173 -3.929 488 HB THR 50 HB THR 50 5.147 -10.254 -3.955 489 HG1 THR 50 1HG THR 50 4.870 -8.739 -5.658 490 1HG2 THR 50 2HG2 THR 50 5.178 -12.309 -5.589 491 2HG2 THR 50 1HG2 THR 50 4.794 -11.097 -6.811 492 3HG2 THR 50 3HG2 THR 50 6.277 -10.957 -5.867 493 QG2 THR 50 QG2 THR 50 5.416 -11.454 -6.089 494 H LYS 51 H LYS 51 0.806 -10.411 -4.322 495 HA LYS 51 HA LYS 51 -0.547 -9.125 -2.879 496 1HB LYS 51 2HB LYS 51 1.334 -10.375 -0.844 497 2HB LYS 51 1HB LYS 51 -0.254 -9.696 -0.493 498 1HG LYS 51 2HG LYS 51 0.203 -11.984 -2.425 499 2HG LYS 51 1HG LYS 51 -0.245 -12.203 -0.734 500 1HD LYS 51 2HD LYS 51 -2.307 -10.933 -1.081 501 2HD LYS 51 1HD LYS 51 -1.853 -10.614 -2.756 502 1HE LYS 51 2HE LYS 51 -3.407 -12.488 -2.749 503 2HE LYS 51 1HE LYS 51 -1.795 -13.132 -3.114 504 1HZ LYS 51 2HZ LYS 51 -2.867 -12.918 -0.357 505 2HZ LYS 51 1HZ LYS 51 -3.025 -14.324 -1.298 506 3HZ LYS 51 3HZ LYS 51 -1.483 -13.761 -0.871 507 QB LYS 51 QB LYS 51 0.540 -10.036 -0.668 508 QG LYS 51 QG LYS 51 -0.021 -12.094 -1.580 509 QD LYS 51 QD LYS 51 -2.080 -10.774 -1.918 510 QE LYS 51 QE LYS 51 -2.601 -12.810 -2.932 511 QZ LYS 51 QZ LYS 51 -2.458 -13.668 -0.842 512 H THR 52 H THR 52 1.700 -7.785 -4.079 513 HA THR 52 HA THR 52 2.385 -5.816 -1.906 514 HB THR 52 HB THR 52 4.050 -6.434 -4.351 515 HG1 THR 52 1HG THR 52 5.105 -7.962 -3.147 516 1HG2 THR 52 1HG2 THR 52 4.466 -5.074 -1.700 517 2HG2 THR 52 3HG2 THR 52 5.837 -5.726 -2.596 518 3HG2 THR 52 2HG2 THR 52 4.825 -4.474 -3.319 519 QG2 THR 52 QG2 THR 52 5.043 -5.091 -2.538 520 H PHE 53 H PHE 53 2.068 -3.641 -2.424 521 HA PHE 53 HA PHE 53 0.662 -3.076 -4.978 522 1HB PHE 53 2HB PHE 53 1.044 -1.640 -2.347 523 2HB PHE 53 1HB PHE 53 0.242 -0.879 -3.722 524 HD1 PHE 53 1HD PHE 53 0.083 -3.707 -1.320 525 HD2 PHE 53 2HD PHE 53 -1.991 -1.511 -4.382 526 HE1 PHE 53 1HE PHE 53 -2.031 -4.871 -0.726 527 HE2 PHE 53 2HE PHE 53 -4.091 -2.677 -3.787 528 1HZ PHE 53 HZ PHE 53 -4.113 -4.356 -1.965 529 QB PHE 53 QB PHE 53 0.643 -1.259 -3.034 530 QG PHE 53 QD PHE 53 -0.954 -2.609 -2.851 531 QZ PHE 53 QE PHE 53 -3.061 -3.774 -2.257 532 QZ PHE 53 QR PHE 53 -2.429 -3.424 -2.436 533 H THR 54 H THR 54 1.312 -0.435 -5.529 534 HA THR 54 HA THR 54 4.230 -0.056 -5.396 535 HB THR 54 HB THR 54 3.041 -0.131 -8.148 536 HG1 THR 54 1HG THR 54 3.974 -2.435 -6.784 537 1HG2 THR 54 2HG2 THR 54 5.730 -0.627 -6.878 538 2HG2 THR 54 1HG2 THR 54 5.401 -1.082 -8.550 539 3HG2 THR 54 3HG2 THR 54 5.283 0.607 -8.056 540 QG2 THR 54 QG2 THR 54 5.472 -0.367 -7.828 541 H VAL 55 H VAL 55 3.656 1.902 -4.419 542 HA VAL 55 HA VAL 55 1.851 3.721 -5.877 543 HB VAL 55 HB VAL 55 1.418 3.510 -3.542 544 1HG1 VAL 55 1HG1 VAL 55 4.377 4.027 -3.169 545 2HG1 VAL 55 3HG1 VAL 55 3.208 4.173 -1.857 546 3HG1 VAL 55 2HG1 VAL 55 3.436 2.620 -2.659 547 1HG2 VAL 55 2HG2 VAL 55 1.281 5.811 -4.461 548 2HG2 VAL 55 1HG2 VAL 55 1.680 5.803 -2.743 549 3HG2 VAL 55 3HG2 VAL 55 2.940 6.098 -3.940 550 QG1 VAL 55 QG1 VAL 55 3.674 3.607 -2.562 551 QG2 VAL 55 QG2 VAL 55 1.967 5.904 -3.714 552 QQG VAL 55 QQG VAL 55 2.820 4.755 -3.138 553 H THR 56 H THR 56 2.817 4.747 -7.514 554 HA THR 56 HA THR 56 5.619 5.655 -7.367 555 HB THR 56 HB THR 56 3.390 5.446 -9.382 556 HG1 THR 56 1HG THR 56 4.703 4.018 -10.212 557 1HG2 THR 56 1HG2 THR 56 5.897 7.107 -9.779 558 2HG2 THR 56 3HG2 THR 56 4.817 6.594 -11.077 559 3HG2 THR 56 2HG2 THR 56 4.230 7.688 -9.823 560 QG2 THR 56 QG2 THR 56 4.981 7.130 -10.226 561 H GLU 57 H GLU 57 5.968 8.055 -8.043 562 HA GLU 57 HA GLU 57 3.895 9.798 -6.749 563 1HB GLU 57 2HB GLU 57 5.940 9.376 -5.380 564 2HB GLU 57 1HB GLU 57 6.922 10.041 -6.686 565 1HG GLU 57 2HG GLU 57 4.648 11.693 -5.672 566 2HG GLU 57 1HG GLU 57 6.093 11.572 -4.667 567 QB GLU 57 QB GLU 57 6.431 9.708 -6.033 568 QG GLU 57 QG GLU 57 5.371 11.633 -5.170 No H/Q in entry = 568 Start of MODEL 16 1 1H MET 1 1HT MET 1 -3.326 -15.620 6.809 2 2H MET 1 3HT MET 1 -2.945 -15.765 8.455 3 3H MET 1 2HT MET 1 -3.689 -14.351 7.878 4 HA MET 1 HA MET 1 -1.355 -13.906 8.238 5 1HB MET 1 2HB MET 1 -0.785 -16.331 8.099 6 2HB MET 1 1HB MET 1 -1.013 -16.259 6.351 7 1HG MET 1 2HG MET 1 0.701 -14.263 6.508 8 2HG MET 1 1HG MET 1 1.151 -15.031 8.030 9 1HE MET 1 1HE MET 1 2.914 -16.184 8.190 10 2HE MET 1 3HE MET 1 2.074 -17.740 8.113 11 3HE MET 1 2HE MET 1 3.555 -17.487 7.193 12 QB MET 1 QB MET 1 -0.899 -16.295 7.225 13 QG MET 1 QG MET 1 0.926 -14.647 7.269 14 QE MET 1 QE MET 1 2.848 -17.137 7.832 15 H THR 2 H THR 2 -2.232 -12.031 7.128 16 HA THR 2 HA THR 2 -2.136 -12.110 4.143 17 HB THR 2 HB THR 2 -3.328 -10.126 6.110 18 HG1 THR 2 1HG THR 2 -4.491 -11.991 6.141 19 1HG2 THR 2 2HG2 THR 2 -3.013 -10.172 3.158 20 2HG2 THR 2 1HG2 THR 2 -4.592 -9.678 3.767 21 3HG2 THR 2 3HG2 THR 2 -3.145 -8.794 4.252 22 QG2 THR 2 QG2 THR 2 -3.583 -9.548 3.726 23 H THR 3 H THR 3 -1.547 -9.425 6.438 24 HA THR 3 HA THR 3 0.171 -7.803 6.468 25 HB THR 3 HB THR 3 1.903 -10.139 5.647 26 HG1 THR 3 1HG THR 3 0.731 -9.581 8.169 27 1HG2 THR 3 2HG2 THR 3 2.521 -7.547 6.367 28 2HG2 THR 3 1HG2 THR 3 2.653 -8.409 7.902 29 3HG2 THR 3 3HG2 THR 3 3.611 -8.928 6.516 30 QG2 THR 3 QG2 THR 3 2.928 -8.295 6.928 31 H PHE 4 H PHE 4 -0.794 -6.856 4.427 32 HA PHE 4 HA PHE 4 0.380 -7.521 1.842 33 1HB PHE 4 2HB PHE 4 -1.501 -5.523 3.020 34 2HB PHE 4 1HB PHE 4 -0.774 -5.127 1.460 35 HD1 PHE 4 1HD PHE 4 -0.916 -6.865 -0.414 36 HD2 PHE 4 2HD PHE 4 -3.283 -7.070 3.161 37 HE1 PHE 4 1HE PHE 4 -2.477 -8.427 -1.540 38 HE2 PHE 4 2HE PHE 4 -4.846 -8.629 2.032 39 1HZ PHE 4 HZ PHE 4 -4.445 -9.307 -0.317 40 QB PHE 4 QB PHE 4 -1.138 -5.325 2.240 41 QG PHE 4 QD PHE 4 -2.099 -6.967 1.373 42 QZ PHE 4 QE PHE 4 -3.662 -8.528 0.246 43 QZ PHE 4 QR PHE 4 -3.193 -8.060 0.584 44 H LYS 5 H LYS 5 2.028 -6.396 0.753 45 HA LYS 5 HA LYS 5 3.675 -4.570 2.462 46 1HB LYS 5 2HB LYS 5 4.354 -6.156 -0.045 47 2HB LYS 5 1HB LYS 5 5.503 -5.280 0.963 48 1HG LYS 5 2HG LYS 5 4.559 -6.771 2.895 49 2HG LYS 5 1HG LYS 5 3.986 -7.803 1.587 50 1HD LYS 5 2HD LYS 5 6.514 -7.398 0.739 51 2HD LYS 5 1HD LYS 5 6.769 -7.251 2.479 52 1HE LYS 5 2HE LYS 5 5.655 -9.446 2.822 53 2HE LYS 5 1HE LYS 5 5.454 -9.601 1.064 54 1HZ LYS 5 2HZ LYS 5 8.061 -9.126 2.408 55 2HZ LYS 5 1HZ LYS 5 7.515 -10.658 1.917 56 3HZ LYS 5 3HZ LYS 5 7.805 -9.452 0.761 57 QB LYS 5 QB LYS 5 4.928 -5.718 0.459 58 QG LYS 5 QG LYS 5 4.272 -7.287 2.241 59 QD LYS 5 QD LYS 5 6.642 -7.325 1.609 60 QE LYS 5 QE LYS 5 5.554 -9.523 1.943 61 QZ LYS 5 QZ LYS 5 7.794 -9.745 1.695 62 H LEU 6 H LEU 6 5.099 -3.128 0.709 63 HA LEU 6 HA LEU 6 3.461 -2.083 -1.502 64 1HB LEU 6 2HB LEU 6 2.392 -1.077 0.447 65 2HB LEU 6 1HB LEU 6 3.949 -0.546 1.074 66 HG LEU 6 HG LEU 6 4.174 0.778 -1.138 67 1HD1 LEU 6 3HD1 LEU 6 1.257 -0.007 -1.160 68 2HD1 LEU 6 2HD1 LEU 6 1.840 1.436 -1.991 69 3HD1 LEU 6 1HD1 LEU 6 2.436 -0.156 -2.463 70 1HD2 LEU 6 1HD2 LEU 6 3.381 1.515 1.309 71 2HD2 LEU 6 3HD2 LEU 6 3.360 2.644 -0.046 72 3HD2 LEU 6 2HD2 LEU 6 1.874 1.834 0.449 73 QB LEU 6 QB LEU 6 3.171 -0.812 0.761 74 QD1 LEU 6 QD1 LEU 6 1.844 0.424 -1.871 75 QD2 LEU 6 QD2 LEU 6 2.872 1.998 0.571 76 QQD LEU 6 QQD LEU 6 2.358 1.211 -0.650 77 H ILE 7 H ILE 7 5.235 -2.213 -2.910 78 HA ILE 7 HA ILE 7 7.887 -1.231 -2.090 79 HB ILE 7 HB ILE 7 6.761 -2.228 -4.734 80 1HG1 ILE 7 2HG1 ILE 7 8.681 -3.768 -3.033 81 2HG1 ILE 7 1HG1 ILE 7 6.987 -3.731 -2.540 82 1HG2 ILE 7 3HG2 ILE 7 9.428 -1.223 -3.864 83 2HG2 ILE 7 2HG2 ILE 7 9.425 -2.672 -4.876 84 3HG2 ILE 7 1HG2 ILE 7 8.674 -1.185 -5.461 85 1HD1 ILE 7 1HD1 ILE 7 6.487 -4.334 -5.020 86 2HD1 ILE 7 3HD1 ILE 7 8.184 -4.811 -5.085 87 3HD1 ILE 7 2HD1 ILE 7 7.086 -5.606 -3.957 88 QG1 ILE 7 QG1 ILE 7 7.834 -3.749 -2.787 89 QG2 ILE 7 QG2 ILE 7 9.176 -1.693 -4.733 90 QD1 ILE 7 QD1 ILE 7 7.252 -4.917 -4.687 91 H ILE 8 H ILE 8 8.604 0.820 -2.525 92 HA ILE 8 HA ILE 8 6.709 2.602 -3.967 93 HB ILE 8 HB ILE 8 9.145 3.484 -2.461 94 1HG1 ILE 8 2HG1 ILE 8 7.927 1.886 -0.992 95 2HG1 ILE 8 1HG1 ILE 8 7.848 3.523 -0.376 96 1HG2 ILE 8 2HG2 ILE 8 7.749 5.075 -3.811 97 2HG2 ILE 8 1HG2 ILE 8 6.396 4.719 -2.733 98 3HG2 ILE 8 3HG2 ILE 8 7.854 5.490 -2.101 99 1HD1 ILE 8 1HD1 ILE 8 5.680 2.344 -2.117 100 2HD1 ILE 8 3HD1 ILE 8 5.659 2.201 -0.360 101 3HD1 ILE 8 2HD1 ILE 8 5.594 3.793 -1.117 102 QG1 ILE 8 QG1 ILE 8 7.888 2.704 -0.684 103 QG2 ILE 8 QG2 ILE 8 7.333 5.095 -2.882 104 QD1 ILE 8 QD1 ILE 8 5.644 2.779 -1.198 105 H ASN 9 H ASN 9 7.213 3.027 -6.104 106 HA ASN 9 HA ASN 9 9.726 2.320 -7.311 107 1HB ASN 9 2HB ASN 9 7.670 4.277 -8.350 108 2HB ASN 9 1HB ASN 9 8.772 3.292 -9.302 109 1HD2 ASN 9 2HD2 ASN 9 5.242 1.776 -8.936 110 2HD2 ASN 9 1HD2 ASN 9 5.696 3.396 -9.176 111 QB ASN 9 QB ASN 9 8.221 3.785 -8.826 112 QD2 ASN 9 QD2 ASN 9 5.469 2.586 -9.056 113 H GLY 10 H GLY 10 8.283 5.464 -6.617 114 1HA GLY 10 2HA GLY 10 10.517 7.054 -7.398 115 2HA GLY 10 1HA GLY 10 9.236 7.587 -6.310 116 QA GLY 10 QA GLY 10 9.876 7.320 -6.854 117 H LYS 11 H LYS 11 10.873 8.676 -5.029 118 HA LYS 11 HA LYS 11 12.354 6.793 -3.230 119 1HB LYS 11 2HB LYS 11 14.223 8.419 -3.282 120 2HB LYS 11 1HB LYS 11 13.853 7.811 -4.895 121 1HG LYS 11 2HG LYS 11 12.194 10.067 -4.565 122 2HG LYS 11 1HG LYS 11 13.754 10.540 -3.897 123 1HD LYS 11 2HD LYS 11 13.928 11.075 -6.194 124 2HD LYS 11 1HD LYS 11 14.771 9.533 -6.047 125 1HE LYS 11 2HE LYS 11 13.134 8.375 -7.193 126 2HE LYS 11 1HE LYS 11 11.835 9.436 -6.616 127 1HZ LYS 11 1HZ LYS 11 13.965 10.230 -8.532 128 2HZ LYS 11 3HZ LYS 11 12.369 9.848 -8.962 129 3HZ LYS 11 2HZ LYS 11 12.684 11.209 -7.996 130 QB LYS 11 QB LYS 11 14.038 8.115 -4.089 131 QG LYS 11 QG LYS 11 12.974 10.303 -4.231 132 QD LYS 11 QD LYS 11 14.349 10.304 -6.121 133 QE LYS 11 QE LYS 11 12.485 8.905 -6.905 134 QZ LYS 11 QZ LYS 11 13.006 10.429 -8.496 135 H THR 12 H THR 12 9.790 8.696 -3.155 136 HA THR 12 HA THR 12 10.252 10.737 -1.210 137 HB THR 12 HB THR 12 7.801 10.525 -0.858 138 HG1 THR 12 1HG THR 12 7.947 8.286 -2.582 139 1HG2 THR 12 3HG2 THR 12 9.043 11.344 -3.093 140 2HG2 THR 12 2HG2 THR 12 8.100 10.019 -3.775 141 3HG2 THR 12 1HG2 THR 12 7.285 11.341 -2.939 142 QG2 THR 12 QG2 THR 12 8.143 10.901 -3.269 143 H LEU 13 H LEU 13 8.592 7.641 -0.548 144 HA LEU 13 HA LEU 13 10.078 7.501 2.048 145 1HB LEU 13 2HB LEU 13 7.906 6.405 2.892 146 2HB LEU 13 1HB LEU 13 7.836 8.134 2.572 147 HG LEU 13 HG LEU 13 6.829 7.641 0.345 148 1HD1 LEU 13 1HD1 LEU 13 6.951 4.819 1.407 149 2HD1 LEU 13 3HD1 LEU 13 5.786 5.305 0.176 150 3HD1 LEU 13 2HD1 LEU 13 7.513 5.427 -0.149 151 1HD2 LEU 13 1HD2 LEU 13 5.408 6.483 2.762 152 2HD2 LEU 13 3HD2 LEU 13 5.445 8.186 2.315 153 3HD2 LEU 13 2HD2 LEU 13 4.614 7.020 1.284 154 QB LEU 13 QB LEU 13 7.871 7.270 2.732 155 QD1 LEU 13 QD1 LEU 13 6.750 5.184 0.478 156 QD2 LEU 13 QD2 LEU 13 5.155 7.230 2.120 157 QQD LEU 13 QQD LEU 13 5.953 6.207 1.299 158 H LYS 14 H LYS 14 11.025 6.378 -0.292 159 HA LYS 14 HA LYS 14 10.540 3.932 -1.296 160 1HB LYS 14 2HB LYS 14 12.991 3.604 -1.326 161 2HB LYS 14 1HB LYS 14 12.543 5.268 -1.695 162 1HG LYS 14 2HG LYS 14 12.890 5.793 0.767 163 2HG LYS 14 1HG LYS 14 13.598 4.186 0.929 164 1HD LYS 14 2HD LYS 14 14.565 6.252 -1.064 165 2HD LYS 14 1HD LYS 14 15.289 6.013 0.527 166 1HE LYS 14 2HE LYS 14 15.800 3.664 -0.039 167 2HE LYS 14 1HE LYS 14 15.059 3.888 -1.636 168 1HZ LYS 14 1HZ LYS 14 16.599 5.749 -2.010 169 2HZ LYS 14 3HZ LYS 14 17.359 5.413 -0.532 170 3HZ LYS 14 2HZ LYS 14 17.420 4.278 -1.794 171 QB LYS 14 QB LYS 14 12.767 4.436 -1.511 172 QG LYS 14 QG LYS 14 13.244 4.989 0.848 173 QD LYS 14 QD LYS 14 14.927 6.132 -0.269 174 QE LYS 14 QE LYS 14 15.430 3.776 -0.837 175 QZ LYS 14 QZ LYS 14 17.126 5.147 -1.445 176 H GLY 15 H GLY 15 10.385 1.787 -0.702 177 1HA GLY 15 2HA GLY 15 11.635 0.281 1.150 178 2HA GLY 15 1HA GLY 15 10.538 1.184 2.190 179 QA GLY 15 QA GLY 15 11.086 0.733 1.670 180 H GLU 16 H GLU 16 9.906 -1.179 2.546 181 HA GLU 16 HA GLU 16 7.561 -1.837 0.809 182 1HB GLU 16 2HB GLU 16 10.054 -3.356 1.369 183 2HB GLU 16 1HB GLU 16 8.557 -4.287 1.444 184 1HG GLU 16 2HG GLU 16 7.948 -3.498 -0.811 185 2HG GLU 16 1HG GLU 16 9.443 -2.566 -0.890 186 QB GLU 16 QB GLU 16 9.306 -3.821 1.406 187 QG GLU 16 QG GLU 16 8.696 -3.032 -0.851 188 H ILE 17 H ILE 17 7.406 -0.521 3.283 189 HA ILE 17 HA ILE 17 7.299 -2.012 5.655 190 HB ILE 17 HB ILE 17 6.975 0.422 5.427 191 1HG1 ILE 17 2HG1 ILE 17 4.850 0.561 6.919 192 2HG1 ILE 17 1HG1 ILE 17 4.842 -1.200 6.815 193 1HG2 ILE 17 2HG2 ILE 17 5.192 -0.225 3.434 194 2HG2 ILE 17 1HG2 ILE 17 4.113 0.233 4.751 195 3HG2 ILE 17 3HG2 ILE 17 5.335 1.367 4.178 196 1HD1 ILE 17 2HD1 ILE 17 7.351 -1.017 7.495 197 2HD1 ILE 17 1HD1 ILE 17 6.921 0.607 8.032 198 3HD1 ILE 17 3HD1 ILE 17 6.125 -0.797 8.742 199 QG1 ILE 17 QG1 ILE 17 4.846 -0.319 6.867 200 QG2 ILE 17 QG2 ILE 17 4.880 0.458 4.121 201 QD1 ILE 17 QD1 ILE 17 6.799 -0.403 8.090 202 H THR 18 H THR 18 6.291 -3.937 5.996 203 HA THR 18 HA THR 18 3.944 -4.767 4.429 204 HB THR 18 HB THR 18 4.281 -6.862 5.696 205 HG1 THR 18 1HG THR 18 4.832 -6.173 7.687 206 1HG2 THR 18 3HG2 THR 18 6.011 -5.796 3.866 207 2HG2 THR 18 2HG2 THR 18 7.101 -6.139 5.209 208 3HG2 THR 18 1HG2 THR 18 6.133 -7.435 4.508 209 QG2 THR 18 QG2 THR 18 6.415 -6.457 4.528 210 H ILE 19 H ILE 19 1.834 -5.013 5.273 211 HA ILE 19 HA ILE 19 1.374 -4.261 8.126 212 HB ILE 19 HB ILE 19 -0.346 -2.633 7.418 213 1HG1 ILE 19 2HG1 ILE 19 0.062 -2.042 4.801 214 2HG1 ILE 19 1HG1 ILE 19 0.314 -3.787 4.758 215 1HG2 ILE 19 2HG2 ILE 19 2.095 -1.998 7.717 216 2HG2 ILE 19 1HG2 ILE 19 2.248 -2.074 5.961 217 3HG2 ILE 19 3HG2 ILE 19 1.155 -0.904 6.703 218 1HD1 ILE 19 1HD1 ILE 19 -1.897 -3.791 6.239 219 2HD1 ILE 19 3HD1 ILE 19 -2.158 -2.244 5.435 220 3HD1 ILE 19 2HD1 ILE 19 -1.985 -3.716 4.480 221 QG1 ILE 19 QG1 ILE 19 0.188 -2.915 4.780 222 QG2 ILE 19 QG2 ILE 19 1.833 -1.659 6.794 223 QD1 ILE 19 QD1 ILE 19 -2.013 -3.250 5.385 224 H GLU 20 H GLU 20 -0.222 -5.481 9.050 225 HA GLU 20 HA GLU 20 -1.485 -7.630 7.531 226 1HB GLU 20 2HB GLU 20 -0.656 -7.708 9.915 227 2HB GLU 20 1HB GLU 20 -1.995 -6.647 10.356 228 1HG GLU 20 2HG GLU 20 -3.604 -8.310 9.509 229 2HG GLU 20 1HG GLU 20 -2.271 -9.373 9.056 230 QB GLU 20 QB GLU 20 -1.325 -7.177 10.135 231 QG GLU 20 QG GLU 20 -2.937 -8.842 9.283 232 H ALA 21 H ALA 21 -3.584 -7.689 6.764 233 HA ALA 21 HA ALA 21 -5.573 -5.684 7.643 234 1HB ALA 21 3HB ALA 21 -4.150 -5.737 4.998 235 2HB ALA 21 2HB ALA 21 -5.830 -5.201 5.050 236 3HB ALA 21 1HB ALA 21 -4.605 -4.350 5.990 237 QB ALA 21 QB ALA 21 -4.862 -5.096 5.346 238 H VAL 22 H VAL 22 -7.731 -6.234 6.863 239 HA VAL 22 HA VAL 22 -8.420 -8.952 6.861 240 HB VAL 22 HB VAL 22 -9.949 -7.069 7.287 241 1HG1 VAL 22 3HG1 VAL 22 -8.909 -5.704 5.348 242 2HG1 VAL 22 2HG1 VAL 22 -10.040 -6.574 4.311 243 3HG1 VAL 22 1HG1 VAL 22 -10.646 -5.551 5.614 244 1HG2 VAL 22 2HG2 VAL 22 -10.679 -9.387 6.251 245 2HG2 VAL 22 1HG2 VAL 22 -11.855 -8.080 6.404 246 3HG2 VAL 22 3HG2 VAL 22 -11.089 -8.400 4.848 247 QG1 VAL 22 QG1 VAL 22 -9.865 -5.943 5.091 248 QG2 VAL 22 QG2 VAL 22 -11.208 -8.622 5.834 249 QQG VAL 22 QQG VAL 22 -10.536 -7.283 5.463 250 H ASP 23 H ASP 23 -7.782 -6.814 4.095 251 HA ASP 23 HA ASP 23 -7.141 -9.118 2.381 252 1HB ASP 23 2HB ASP 23 -9.664 -7.499 2.223 253 2HB ASP 23 1HB ASP 23 -8.933 -8.064 0.720 254 QB ASP 23 QB ASP 23 -9.298 -7.781 1.471 255 H ALA 24 H ALA 24 -6.758 -8.100 0.017 256 HA ALA 24 HA ALA 24 -4.698 -6.122 0.280 257 1HB ALA 24 3HB ALA 24 -5.410 -7.938 -1.577 258 2HB ALA 24 2HB ALA 24 -6.117 -6.502 -2.318 259 3HB ALA 24 1HB ALA 24 -4.389 -6.552 -1.964 260 QB ALA 24 QB ALA 24 -5.305 -6.997 -1.953 261 H ALA 25 H ALA 25 -8.155 -5.909 -0.358 262 HA ALA 25 HA ALA 25 -8.376 -3.312 -1.435 263 1HB ALA 25 2HB ALA 25 -10.035 -5.239 0.072 264 2HB ALA 25 1HB ALA 25 -10.572 -3.563 0.182 265 3HB ALA 25 3HB ALA 25 -10.419 -4.337 -1.395 266 QB ALA 25 QB ALA 25 -10.342 -4.380 -0.380 267 H GLU 26 H GLU 26 -8.473 -4.307 2.000 268 HA GLU 26 HA GLU 26 -8.542 -1.625 3.068 269 1HB GLU 26 2HB GLU 26 -8.283 -4.414 3.979 270 2HB GLU 26 1HB GLU 26 -7.411 -3.270 4.999 271 1HG GLU 26 2HG GLU 26 -10.269 -2.779 4.155 272 2HG GLU 26 1HG GLU 26 -9.874 -3.711 5.601 273 QB GLU 26 QB GLU 26 -7.847 -3.842 4.489 274 QG GLU 26 QG GLU 26 -10.072 -3.245 4.878 275 H ALA 27 H ALA 27 -5.917 -3.953 2.444 276 HA ALA 27 HA ALA 27 -3.721 -2.539 3.537 277 1HB ALA 27 1HB ALA 27 -4.144 -4.443 1.247 278 2HB ALA 27 3HB ALA 27 -2.547 -3.733 1.495 279 3HB ALA 27 2HB ALA 27 -3.289 -4.708 2.767 280 QB ALA 27 QB ALA 27 -3.327 -4.295 1.836 281 H GLU 28 H GLU 28 -5.085 -2.340 0.225 282 HA GLU 28 HA GLU 28 -3.333 -0.343 -0.806 283 1HB GLU 28 2HB GLU 28 -5.193 -1.836 -1.894 284 2HB GLU 28 1HB GLU 28 -6.272 -0.505 -1.473 285 1HG GLU 28 2HG GLU 28 -4.698 1.052 -2.675 286 2HG GLU 28 1HG GLU 28 -3.804 -0.358 -3.239 287 QB GLU 28 QB GLU 28 -5.732 -1.171 -1.684 288 QG GLU 28 QG GLU 28 -4.251 0.347 -2.957 289 H LYS 29 H LYS 29 -6.318 -0.088 1.114 290 HA LYS 29 HA LYS 29 -6.549 2.797 0.983 291 1HB LYS 29 2HB LYS 29 -7.515 0.712 2.973 292 2HB LYS 29 1HB LYS 29 -8.074 2.384 2.938 293 1HG LYS 29 2HG LYS 29 -8.202 0.985 0.334 294 2HG LYS 29 1HG LYS 29 -9.274 0.336 1.575 295 1HD LYS 29 2HD LYS 29 -10.624 2.000 0.677 296 2HD LYS 29 1HD LYS 29 -9.835 2.890 1.981 297 1HE LYS 29 2HE LYS 29 -8.599 4.172 0.530 298 2HE LYS 29 1HE LYS 29 -8.385 2.837 -0.620 299 1HZ LYS 29 2HZ LYS 29 -10.761 3.019 -1.165 300 2HZ LYS 29 1HZ LYS 29 -10.884 4.380 -0.154 301 3HZ LYS 29 3HZ LYS 29 -9.911 4.442 -1.543 302 QB LYS 29 QB LYS 29 -7.795 1.548 2.956 303 QG LYS 29 QG LYS 29 -8.738 0.661 0.954 304 QD LYS 29 QD LYS 29 -10.229 2.445 1.329 305 QE LYS 29 QE LYS 29 -8.492 3.504 -0.045 306 QZ LYS 29 QZ LYS 29 -10.519 3.947 -0.954 307 H ILE 30 H ILE 30 -5.328 0.587 3.527 308 HA ILE 30 HA ILE 30 -4.331 2.560 5.328 309 HB ILE 30 HB ILE 30 -3.349 -0.251 4.694 310 1HG1 ILE 30 2HG1 ILE 30 -5.108 0.454 7.015 311 2HG1 ILE 30 1HG1 ILE 30 -5.844 0.311 5.420 312 1HG2 ILE 30 3HG2 ILE 30 -1.838 1.295 6.101 313 2HG2 ILE 30 2HG2 ILE 30 -3.105 1.219 7.325 314 3HG2 ILE 30 1HG2 ILE 30 -2.280 -0.255 6.818 315 1HD1 ILE 30 1HD1 ILE 30 -3.961 -1.859 6.152 316 2HD1 ILE 30 3HD1 ILE 30 -5.458 -1.804 7.081 317 3HD1 ILE 30 2HD1 ILE 30 -5.517 -1.947 5.325 318 QG1 ILE 30 QG1 ILE 30 -5.476 0.383 6.218 319 QG2 ILE 30 QG2 ILE 30 -2.408 0.753 6.748 320 QD1 ILE 30 QD1 ILE 30 -4.979 -1.870 6.186 321 H PHE 31 H PHE 31 -2.907 1.020 2.481 322 HA PHE 31 HA PHE 31 -0.276 2.237 2.787 323 1HB PHE 31 2HB PHE 31 -1.803 0.642 0.752 324 2HB PHE 31 1HB PHE 31 -0.341 1.477 0.229 325 HD1 PHE 31 1HD PHE 31 1.527 1.300 2.355 326 HD2 PHE 31 2HD PHE 31 -1.388 -1.608 1.144 327 HE1 PHE 31 1HE PHE 31 2.914 -0.501 3.348 328 HE2 PHE 31 2HE PHE 31 -0.003 -3.412 2.138 329 1HZ PHE 31 HZ PHE 31 2.150 -2.858 3.241 330 QB PHE 31 QB PHE 31 -1.072 1.059 0.490 331 QG PHE 31 QD PHE 31 0.070 -0.154 1.750 332 QZ PHE 31 QE PHE 31 1.456 -1.956 2.743 333 QZ PHE 31 QR PHE 31 1.040 -1.416 2.445 334 H LYS 32 H LYS 32 -3.232 2.944 0.942 335 HA LYS 32 HA LYS 32 -2.121 5.211 -0.458 336 1HB LYS 32 2HB LYS 32 -4.847 4.023 -0.053 337 2HB LYS 32 1HB LYS 32 -4.651 5.555 -0.898 338 1HG LYS 32 2HG LYS 32 -3.129 4.528 -2.505 339 2HG LYS 32 1HG LYS 32 -3.211 2.991 -1.644 340 1HD LYS 32 2HD LYS 32 -4.729 2.891 -3.539 341 2HD LYS 32 1HD LYS 32 -5.689 2.963 -2.061 342 1HE LYS 32 2HE LYS 32 -6.540 5.026 -2.571 343 2HE LYS 32 1HE LYS 32 -4.999 5.599 -3.240 344 1HZ LYS 32 1HZ LYS 32 -5.353 4.128 -5.152 345 2HZ LYS 32 3HZ LYS 32 -6.867 3.681 -4.533 346 3HZ LYS 32 2HZ LYS 32 -6.589 5.286 -5.016 347 QB LYS 32 QB LYS 32 -4.749 4.789 -0.476 348 QG LYS 32 QG LYS 32 -3.170 3.760 -2.074 349 QD LYS 32 QD LYS 32 -5.209 2.927 -2.800 350 QE LYS 32 QE LYS 32 -5.769 5.312 -2.905 351 QZ LYS 32 QZ LYS 32 -6.269 4.365 -4.900 352 H GLN 33 H GLN 33 -2.840 4.899 2.788 353 HA GLN 33 HA GLN 33 -3.782 7.753 3.040 354 1HB GLN 33 2HB GLN 33 -5.108 5.908 4.144 355 2HB GLN 33 1HB GLN 33 -3.666 5.470 5.060 356 1HG GLN 33 2HG GLN 33 -3.611 7.797 5.989 357 2HG GLN 33 1HG GLN 33 -5.141 8.117 5.171 358 1HE2 GLN 33 2HE2 GLN 33 -6.732 5.448 7.280 359 2HE2 GLN 33 1HE2 GLN 33 -6.460 5.629 5.615 360 QB GLN 33 QB GLN 33 -4.387 5.689 4.602 361 QG GLN 33 QG GLN 33 -4.376 7.957 5.580 362 QE2 GLN 33 QE2 GLN 33 -6.596 5.538 6.448 363 H TYR 34 H TYR 34 -1.599 5.282 4.169 364 HA TYR 34 HA TYR 34 0.280 6.648 5.750 365 1HB TYR 34 2HB TYR 34 0.368 4.308 5.603 366 2HB TYR 34 1HB TYR 34 0.094 4.314 3.857 367 HD1 TYR 34 1HD TYR 34 1.977 4.624 2.311 368 HD2 TYR 34 2HD TYR 34 2.608 4.609 6.560 369 HE1 TYR 34 1HE TYR 34 4.416 4.361 1.948 370 HE2 TYR 34 2HE TYR 34 5.047 4.347 6.197 371 HH TYR 34 HH TYR 34 6.414 3.277 3.608 372 QB TYR 34 QB TYR 34 0.231 4.311 4.730 373 QG TYR 34 QD TYR 34 2.292 4.616 4.435 374 QZ TYR 34 QE TYR 34 4.732 4.354 4.072 375 QR TYR 34 QR TYR 34 3.512 4.485 4.254 376 H ALA 35 H ALA 35 -0.002 6.372 2.218 377 HA ALA 35 HA ALA 35 2.442 7.714 1.464 378 1HB ALA 35 3HB ALA 35 -0.194 6.987 0.234 379 2HB ALA 35 2HB ALA 35 0.848 8.117 -0.630 380 3HB ALA 35 1HB ALA 35 1.433 6.497 -0.242 381 QB ALA 35 QB ALA 35 0.695 7.200 -0.213 382 H ASN 36 H ASN 36 -0.934 8.878 1.727 383 HA ASN 36 HA ASN 36 -0.462 11.602 1.037 384 1HB ASN 36 2HB ASN 36 -2.507 10.076 2.622 385 2HB ASN 36 1HB ASN 36 -2.598 11.835 2.537 386 1HD2 ASN 36 2HD2 ASN 36 -3.257 9.645 -0.877 387 2HD2 ASN 36 1HD2 ASN 36 -2.438 8.929 0.425 388 QB ASN 36 QB ASN 36 -2.552 10.956 2.579 389 QD2 ASN 36 QD2 ASN 36 -2.848 9.287 -0.226 390 H ASP 37 H ASP 37 -0.612 10.063 4.268 391 HA ASP 37 HA ASP 37 -0.136 12.348 5.859 392 1HB ASP 37 2HB ASP 37 -0.660 9.813 6.370 393 2HB ASP 37 1HB ASP 37 1.094 9.689 6.509 394 QB ASP 37 QB ASP 37 0.217 9.751 6.439 395 H ASN 38 H ASN 38 2.072 10.533 3.894 396 HA ASN 38 HA ASN 38 4.419 11.887 5.044 397 1HB ASN 38 2HB ASN 38 3.877 9.505 3.309 398 2HB ASN 38 1HB ASN 38 5.485 10.233 3.288 399 1HD2 ASN 38 2HD2 ASN 38 4.774 7.689 6.186 400 2HD2 ASN 38 1HD2 ASN 38 4.074 7.682 4.640 401 QB ASN 38 QB ASN 38 4.681 9.869 3.298 402 QD2 ASN 38 QD2 ASN 38 4.424 7.685 5.413 403 H GLY 39 H GLY 39 2.421 11.774 2.167 404 1HA GLY 39 2HA GLY 39 2.319 13.757 0.711 405 2HA GLY 39 1HA GLY 39 4.042 14.002 1.009 406 QA GLY 39 QA GLY 39 3.180 13.879 0.860 407 H ILE 40 H ILE 40 2.269 11.033 0.144 408 HA ILE 40 HA ILE 40 4.134 10.707 -2.170 409 HB ILE 40 HB ILE 40 2.853 8.976 -0.123 410 1HG1 ILE 40 2HG1 ILE 40 5.061 7.796 -0.450 411 2HG1 ILE 40 1HG1 ILE 40 5.470 9.062 -1.604 412 1HG2 ILE 40 1HG2 ILE 40 1.939 8.044 -2.285 413 2HG2 ILE 40 3HG2 ILE 40 3.607 7.801 -2.807 414 3HG2 ILE 40 2HG2 ILE 40 2.986 6.940 -1.396 415 1HD1 ILE 40 1HD1 ILE 40 4.460 9.784 1.128 416 2HD1 ILE 40 3HD1 ILE 40 6.171 9.390 0.897 417 3HD1 ILE 40 2HD1 ILE 40 5.439 10.743 0.014 418 QG1 ILE 40 QG1 ILE 40 5.265 8.429 -1.027 419 QG2 ILE 40 QG2 ILE 40 2.844 7.595 -2.163 420 QD1 ILE 40 QD1 ILE 40 5.356 9.973 0.680 421 H ASP 41 H ASP 41 3.291 10.919 -4.141 422 HA ASP 41 HA ASP 41 0.546 10.085 -4.795 423 1HB ASP 41 2HB ASP 41 0.402 12.359 -3.679 424 2HB ASP 41 1HB ASP 41 1.329 13.004 -5.034 425 QB ASP 41 QB ASP 41 0.866 12.681 -4.357 426 H GLY 42 H GLY 42 1.335 8.871 -6.538 427 1HA GLY 42 2HA GLY 42 2.172 10.364 -8.913 428 2HA GLY 42 1HA GLY 42 3.414 9.287 -8.272 429 QA GLY 42 QA GLY 42 2.793 9.825 -8.593 430 H GLU 43 H GLU 43 2.234 7.019 -7.599 431 HA GLU 43 HA GLU 43 0.319 6.187 -9.725 432 1HB GLU 43 2HB GLU 43 3.114 5.067 -9.301 433 2HB GLU 43 1HB GLU 43 1.905 4.362 -10.379 434 1HG GLU 43 2HG GLU 43 1.781 6.628 -11.533 435 2HG GLU 43 1HG GLU 43 3.215 7.080 -10.611 436 QB GLU 43 QB GLU 43 2.509 4.714 -9.840 437 QG GLU 43 QG GLU 43 2.498 6.854 -11.072 438 H TRP 44 H TRP 44 -0.313 3.832 -9.366 439 HA TRP 44 HA TRP 44 0.194 2.636 -6.713 440 1HB TRP 44 2HB TRP 44 -2.336 4.098 -7.469 441 2HB TRP 44 1HB TRP 44 -2.443 2.665 -6.437 442 HD1 TRP 44 HD TRP 44 -1.436 6.296 -6.372 443 HE1 TRP 44 1HE TRP 44 -0.658 6.901 -3.987 444 HE3 TRP 44 3HE TRP 44 -1.303 1.642 -4.328 445 HZ2 TRP 44 2HZ TRP 44 -0.057 5.565 -1.523 446 HZ3 TRP 44 3HZ TRP 44 -0.629 1.329 -1.952 447 HH2 TRP 44 HH TRP 44 0.002 3.283 -0.562 448 QB TRP 44 QB TRP 44 -2.389 3.382 -6.953 449 H THR 45 H THR 45 0.341 0.496 -7.216 450 HA THR 45 HA THR 45 -1.682 -0.693 -9.063 451 HB THR 45 HB THR 45 0.000 -1.706 -10.425 452 HG1 THR 45 1HG THR 45 2.131 -1.733 -9.859 453 1HG2 THR 45 1HG2 THR 45 -0.352 0.700 -10.892 454 2HG2 THR 45 3HG2 THR 45 0.968 1.090 -9.789 455 3HG2 THR 45 2HG2 THR 45 1.293 0.195 -11.276 456 QG2 THR 45 QG2 THR 45 0.636 0.662 -10.652 457 H TYR 46 H TYR 46 -2.397 -2.608 -8.259 458 HA TYR 46 HA TYR 46 -1.031 -3.717 -5.862 459 1HB TYR 46 2HB TYR 46 -3.382 -3.238 -5.639 460 2HB TYR 46 1HB TYR 46 -3.758 -4.098 -7.135 461 HD1 TYR 46 2HD TYR 46 -1.718 -4.892 -4.080 462 HD2 TYR 46 1HD TYR 46 -4.868 -6.114 -6.731 463 HE1 TYR 46 2HE TYR 46 -1.957 -7.007 -2.818 464 HE2 TYR 46 1HE TYR 46 -5.100 -8.238 -5.470 465 HH TYR 46 HH TYR 46 -4.605 -9.042 -3.125 466 QB TYR 46 QB TYR 46 -3.570 -3.668 -6.387 467 QG TYR 46 QD TYR 46 -3.293 -5.503 -5.406 468 QZ TYR 46 QE TYR 46 -3.529 -7.623 -4.144 469 QR TYR 46 QR TYR 46 -3.411 -6.563 -4.775 470 H ASP 47 H ASP 47 -0.250 -5.841 -5.816 471 HA ASP 47 HA ASP 47 -0.159 -7.289 -8.441 472 1HB ASP 47 2HB ASP 47 1.766 -7.196 -6.093 473 2HB ASP 47 1HB ASP 47 1.985 -8.206 -7.522 474 QB ASP 47 QB ASP 47 1.876 -7.701 -6.807 475 H ASP 48 H ASP 48 -1.925 -8.683 -8.165 476 HA ASP 48 HA ASP 48 -2.600 -9.990 -5.682 477 1HB ASP 48 2HB ASP 48 -4.134 -9.504 -7.585 478 2HB ASP 48 1HB ASP 48 -3.282 -10.714 -8.546 479 QB ASP 48 QB ASP 48 -3.708 -10.109 -8.065 480 H ALA 49 H ALA 49 -0.003 -10.578 -7.770 481 HA ALA 49 HA ALA 49 0.049 -13.507 -7.446 482 1HB ALA 49 3HB ALA 49 1.716 -11.384 -8.797 483 2HB ALA 49 2HB ALA 49 2.322 -13.032 -8.637 484 3HB ALA 49 1HB ALA 49 0.835 -12.723 -9.533 485 QB ALA 49 QB ALA 49 1.624 -12.380 -8.989 486 H THR 50 H THR 50 1.486 -10.607 -6.049 487 HA THR 50 HA THR 50 2.933 -12.341 -4.074 488 HB THR 50 HB THR 50 4.702 -10.588 -4.127 489 HG1 THR 50 1HG THR 50 3.177 -9.560 -6.285 490 1HG2 THR 50 1HG2 THR 50 4.454 -12.623 -5.801 491 2HG2 THR 50 3HG2 THR 50 4.245 -11.336 -6.988 492 3HG2 THR 50 2HG2 THR 50 5.726 -11.423 -6.033 493 QG2 THR 50 QG2 THR 50 4.808 -11.794 -6.274 494 H LYS 51 H LYS 51 0.345 -10.366 -4.388 495 HA LYS 51 HA LYS 51 -0.861 -8.964 -2.922 496 1HB LYS 51 2HB LYS 51 0.955 -10.420 -0.969 497 2HB LYS 51 1HB LYS 51 -0.510 -9.544 -0.527 498 1HG LYS 51 2HG LYS 51 -0.810 -11.554 -2.691 499 2HG LYS 51 1HG LYS 51 -0.482 -12.198 -1.083 500 1HD LYS 51 2HD LYS 51 -2.353 -10.649 -0.252 501 2HD LYS 51 1HD LYS 51 -2.784 -10.445 -1.950 502 1HE LYS 51 2HE LYS 51 -2.394 -13.245 -0.978 503 2HE LYS 51 1HE LYS 51 -3.875 -12.401 -0.482 504 1HZ LYS 51 3HZ LYS 51 -2.879 -12.430 -3.277 505 2HZ LYS 51 2HZ LYS 51 -4.010 -13.553 -2.690 506 3HZ LYS 51 1HZ LYS 51 -4.391 -11.897 -2.724 507 QB LYS 51 QB LYS 51 0.222 -9.982 -0.748 508 QG LYS 51 QG LYS 51 -0.646 -11.876 -1.887 509 QD LYS 51 QD LYS 51 -2.569 -10.547 -1.101 510 QE LYS 51 QE LYS 51 -3.134 -12.823 -0.730 511 QZ LYS 51 QZ LYS 51 -3.760 -12.626 -2.897 512 H THR 52 H THR 52 1.406 -7.756 -4.180 513 HA THR 52 HA THR 52 2.314 -5.877 -2.008 514 HB THR 52 HB THR 52 3.869 -6.591 -4.499 515 HG1 THR 52 1HG THR 52 3.914 -7.854 -1.959 516 1HG2 THR 52 1HG2 THR 52 4.352 -5.145 -1.940 517 2HG2 THR 52 3HG2 THR 52 5.688 -6.092 -2.594 518 3HG2 THR 52 2HG2 THR 52 4.965 -4.804 -3.557 519 QG2 THR 52 QG2 THR 52 5.002 -5.347 -2.697 520 H PHE 53 H PHE 53 1.825 -3.744 -2.408 521 HA PHE 53 HA PHE 53 0.566 -3.027 -4.976 522 1HB PHE 53 2HB PHE 53 0.998 -1.658 -2.313 523 2HB PHE 53 1HB PHE 53 0.217 -0.851 -3.674 524 HD1 PHE 53 2HD PHE 53 -0.006 -3.782 -1.388 525 HD2 PHE 53 1HD PHE 53 -2.056 -1.327 -4.268 526 HE1 PHE 53 2HE PHE 53 -2.152 -4.899 -0.816 527 HE2 PHE 53 1HE PHE 53 -4.189 -2.452 -3.696 528 1HZ PHE 53 HZ PHE 53 -4.238 -4.233 -1.974 529 QB PHE 53 QB PHE 53 0.608 -1.255 -2.994 530 QG PHE 53 QD PHE 53 -1.031 -2.554 -2.828 531 QZ PHE 53 QE PHE 53 -3.170 -3.676 -2.256 532 QZ PHE 53 QR PHE 53 -2.528 -3.339 -2.428 533 H THR 54 H THR 54 1.317 -0.442 -5.510 534 HA THR 54 HA THR 54 4.264 -0.207 -5.363 535 HB THR 54 HB THR 54 3.044 -0.100 -8.096 536 HG1 THR 54 1HG THR 54 3.380 -2.360 -8.285 537 1HG2 THR 54 1HG2 THR 54 5.543 0.273 -7.180 538 2HG2 THR 54 3HG2 THR 54 5.604 -1.467 -7.458 539 3HG2 THR 54 2HG2 THR 54 5.211 -0.375 -8.786 540 QG2 THR 54 QG2 THR 54 5.452 -0.523 -7.808 541 H VAL 55 H VAL 55 4.096 1.834 -4.456 542 HA VAL 55 HA VAL 55 2.447 3.829 -5.931 543 HB VAL 55 HB VAL 55 1.633 3.373 -3.698 544 1HG1 VAL 55 2HG1 VAL 55 4.513 3.852 -2.902 545 2HG1 VAL 55 1HG1 VAL 55 3.185 3.883 -1.738 546 3HG1 VAL 55 3HG1 VAL 55 3.530 2.405 -2.640 547 1HG2 VAL 55 2HG2 VAL 55 3.159 5.990 -3.848 548 2HG2 VAL 55 1HG2 VAL 55 1.488 5.711 -4.337 549 3HG2 VAL 55 3HG2 VAL 55 1.934 5.630 -2.632 550 QG1 VAL 55 QG1 VAL 55 3.742 3.380 -2.427 551 QG2 VAL 55 QG2 VAL 55 2.194 5.777 -3.606 552 QQG VAL 55 QQG VAL 55 2.968 4.578 -3.016 553 H THR 56 H THR 56 3.360 5.751 -6.554 554 HA THR 56 HA THR 56 6.171 6.325 -5.746 555 HB THR 56 HB THR 56 5.870 4.926 -7.909 556 HG1 THR 56 1HG THR 56 7.525 6.201 -8.922 557 1HG2 THR 56 1HG2 THR 56 4.087 6.868 -8.619 558 2HG2 THR 56 3HG2 THR 56 5.546 7.413 -9.450 559 3HG2 THR 56 2HG2 THR 56 4.908 5.794 -9.753 560 QG2 THR 56 QG2 THR 56 4.847 6.692 -9.274 561 H GLU 57 H GLU 57 6.692 8.580 -7.098 562 HA GLU 57 HA GLU 57 4.311 10.373 -6.787 563 1HB GLU 57 2HB GLU 57 5.788 10.308 -4.753 564 2HB GLU 57 1HB GLU 57 7.120 10.885 -5.754 565 1HG GLU 57 2HG GLU 57 4.970 12.639 -6.286 566 2HG GLU 57 1HG GLU 57 4.958 12.396 -4.541 567 QB GLU 57 QB GLU 57 6.454 10.596 -5.254 568 QG GLU 57 QG GLU 57 4.964 12.518 -5.413 No H/Q in entry = 568 Start of MODEL 17 1 1H MET 1 2HT MET 1 -1.961 -16.352 4.887 2 2H MET 1 1HT MET 1 -0.368 -15.786 4.713 3 3H MET 1 3HT MET 1 -0.794 -16.714 6.067 4 HA MET 1 HA MET 1 -2.241 -14.961 6.875 5 1HB MET 1 2HB MET 1 0.547 -15.085 6.746 6 2HB MET 1 1HB MET 1 0.188 -13.413 6.319 7 1HG MET 1 2HG MET 1 -0.791 -12.952 8.376 8 2HG MET 1 1HG MET 1 -1.226 -14.638 8.661 9 1HE MET 1 1HE MET 1 -0.628 -13.483 10.782 10 2HE MET 1 3HE MET 1 0.786 -14.134 11.621 11 3HE MET 1 2HE MET 1 0.839 -12.517 10.926 12 QB MET 1 QB MET 1 0.367 -14.249 6.532 13 QG MET 1 QG MET 1 -1.009 -13.795 8.518 14 QE MET 1 QE MET 1 0.332 -13.378 11.110 15 H THR 2 H THR 2 -1.961 -12.276 6.555 16 HA THR 2 HA THR 2 -2.633 -11.711 3.687 17 HB THR 2 HB THR 2 -4.071 -10.654 6.139 18 HG1 THR 2 1HG THR 2 -4.907 -12.654 4.316 19 1HG2 THR 2 2HG2 THR 2 -4.317 -10.292 3.189 20 2HG2 THR 2 1HG2 THR 2 -5.811 -10.379 4.123 21 3HG2 THR 2 3HG2 THR 2 -4.612 -9.140 4.491 22 QG2 THR 2 QG2 THR 2 -4.913 -9.937 3.934 23 H THR 3 H THR 3 -0.140 -11.203 5.194 24 HA THR 3 HA THR 3 -0.063 -8.389 5.956 25 HB THR 3 HB THR 3 2.180 -10.299 5.221 26 HG1 THR 3 1HG THR 3 0.898 -9.837 7.708 27 1HG2 THR 3 3HG2 THR 3 2.353 -7.639 5.728 28 2HG2 THR 3 2HG2 THR 3 2.448 -8.275 7.370 29 3HG2 THR 3 1HG2 THR 3 3.618 -8.791 6.156 30 QG2 THR 3 QG2 THR 3 2.806 -8.235 6.418 31 H PHE 4 H PHE 4 -0.566 -6.985 4.272 32 HA PHE 4 HA PHE 4 0.478 -7.440 1.550 33 1HB PHE 4 2HB PHE 4 -1.255 -5.368 2.915 34 2HB PHE 4 1HB PHE 4 -0.786 -5.231 1.220 35 HD1 PHE 4 1HD PHE 4 -1.149 -7.418 -0.224 36 HD2 PHE 4 2HD PHE 4 -3.201 -6.541 3.444 37 HE1 PHE 4 1HE PHE 4 -2.946 -9.008 -0.852 38 HE2 PHE 4 2HE PHE 4 -4.997 -8.123 2.815 39 1HZ PHE 4 HZ PHE 4 -4.871 -9.361 0.670 40 QB PHE 4 QB PHE 4 -1.020 -5.300 2.067 41 QG PHE 4 QD PHE 4 -2.175 -6.979 1.610 42 QZ PHE 4 QE PHE 4 -3.971 -8.565 0.982 43 QZ PHE 4 QR PHE 4 -3.433 -8.090 1.170 44 H LYS 5 H LYS 5 2.164 -6.281 0.626 45 HA LYS 5 HA LYS 5 3.707 -4.485 2.451 46 1HB LYS 5 2HB LYS 5 4.455 -6.082 -0.022 47 2HB LYS 5 1HB LYS 5 5.578 -5.087 0.902 48 1HG LYS 5 2HG LYS 5 5.976 -6.962 2.112 49 2HG LYS 5 1HG LYS 5 4.420 -6.636 2.873 50 1HD LYS 5 2HD LYS 5 3.296 -8.204 1.554 51 2HD LYS 5 1HD LYS 5 4.516 -8.154 0.282 52 1HE LYS 5 2HE LYS 5 6.104 -9.101 2.177 53 2HE LYS 5 1HE LYS 5 4.569 -9.641 2.889 54 1HZ LYS 5 3HZ LYS 5 3.969 -10.611 0.749 55 2HZ LYS 5 2HZ LYS 5 5.466 -10.137 0.098 56 3HZ LYS 5 1HZ LYS 5 5.404 -11.294 1.341 57 QB LYS 5 QB LYS 5 5.017 -5.584 0.440 58 QG LYS 5 QG LYS 5 5.198 -6.799 2.493 59 QD LYS 5 QD LYS 5 3.906 -8.179 0.918 60 QE LYS 5 QE LYS 5 5.336 -9.371 2.533 61 QZ LYS 5 QZ LYS 5 4.946 -10.680 0.729 62 H LEU 6 H LEU 6 5.218 -3.080 0.621 63 HA LEU 6 HA LEU 6 3.550 -1.955 -1.513 64 1HB LEU 6 2HB LEU 6 2.545 -0.984 0.508 65 2HB LEU 6 1HB LEU 6 4.125 -0.419 1.045 66 HG LEU 6 HG LEU 6 4.176 0.814 -1.274 67 1HD1 LEU 6 3HD1 LEU 6 1.279 0.079 -0.903 68 2HD1 LEU 6 2HD1 LEU 6 1.734 1.549 -1.763 69 3HD1 LEU 6 1HD1 LEU 6 2.265 -0.022 -2.362 70 1HD2 LEU 6 2HD2 LEU 6 3.715 1.628 1.251 71 2HD2 LEU 6 1HD2 LEU 6 3.631 2.730 -0.123 72 3HD2 LEU 6 3HD2 LEU 6 2.152 2.034 0.540 73 QB LEU 6 QB LEU 6 3.335 -0.702 0.776 74 QD1 LEU 6 QD1 LEU 6 1.759 0.535 -1.676 75 QD2 LEU 6 QD2 LEU 6 3.166 2.130 0.556 76 QQD LEU 6 QQD LEU 6 2.463 1.333 -0.560 77 H ILE 7 H ILE 7 5.316 -2.135 -2.921 78 HA ILE 7 HA ILE 7 7.979 -1.147 -2.160 79 HB ILE 7 HB ILE 7 6.771 -2.180 -4.755 80 1HG1 ILE 7 2HG1 ILE 7 8.785 -3.689 -3.147 81 2HG1 ILE 7 1HG1 ILE 7 7.138 -3.620 -2.518 82 1HG2 ILE 7 3HG2 ILE 7 9.496 -1.203 -4.001 83 2HG2 ILE 7 2HG2 ILE 7 9.392 -2.603 -5.071 84 3HG2 ILE 7 1HG2 ILE 7 8.643 -1.075 -5.541 85 1HD1 ILE 7 3HD1 ILE 7 6.572 -4.199 -5.080 86 2HD1 ILE 7 2HD1 ILE 7 8.172 -4.936 -4.982 87 3HD1 ILE 7 1HD1 ILE 7 6.894 -5.453 -3.882 88 QG1 ILE 7 QG1 ILE 7 7.961 -3.655 -2.832 89 QG2 ILE 7 QG2 ILE 7 9.177 -1.627 -4.871 90 QD1 ILE 7 QD1 ILE 7 7.212 -4.863 -4.648 91 H ILE 8 H ILE 8 8.664 0.931 -2.596 92 HA ILE 8 HA ILE 8 6.730 2.678 -4.014 93 HB ILE 8 HB ILE 8 9.144 3.622 -2.500 94 1HG1 ILE 8 2HG1 ILE 8 7.970 1.991 -1.035 95 2HG1 ILE 8 1HG1 ILE 8 7.827 3.631 -0.424 96 1HG2 ILE 8 2HG2 ILE 8 6.361 4.736 -2.954 97 2HG2 ILE 8 1HG2 ILE 8 7.639 5.535 -2.039 98 3HG2 ILE 8 3HG2 ILE 8 7.839 5.260 -3.768 99 1HD1 ILE 8 1HD1 ILE 8 5.718 2.313 -2.150 100 2HD1 ILE 8 3HD1 ILE 8 5.683 2.276 -0.387 101 3HD1 ILE 8 2HD1 ILE 8 5.571 3.816 -1.239 102 QG1 ILE 8 QG1 ILE 8 7.899 2.811 -0.729 103 QG2 ILE 8 QG2 ILE 8 7.280 5.177 -2.920 104 QD1 ILE 8 QD1 ILE 8 5.657 2.802 -1.258 105 H ASN 9 H ASN 9 7.204 3.135 -6.135 106 HA ASN 9 HA ASN 9 9.738 2.502 -7.355 107 1HB ASN 9 2HB ASN 9 7.621 4.377 -8.425 108 2HB ASN 9 1HB ASN 9 8.733 3.385 -9.354 109 1HD2 ASN 9 2HD2 ASN 9 5.225 1.827 -8.918 110 2HD2 ASN 9 1HD2 ASN 9 5.651 3.448 -9.200 111 QB ASN 9 QB ASN 9 8.177 3.881 -8.890 112 QD2 ASN 9 QD2 ASN 9 5.438 2.637 -9.059 113 H GLY 10 H GLY 10 8.437 5.368 -5.878 114 1HA GLY 10 2HA GLY 10 10.538 7.116 -6.972 115 2HA GLY 10 1HA GLY 10 9.254 7.610 -5.870 116 QA GLY 10 QA GLY 10 9.896 7.363 -6.421 117 H LYS 11 H LYS 11 11.048 8.715 -4.707 118 HA LYS 11 HA LYS 11 12.808 6.874 -3.150 119 1HB LYS 11 2HB LYS 11 14.044 8.979 -2.665 120 2HB LYS 11 1HB LYS 11 13.857 8.711 -4.396 121 1HG LYS 11 2HG LYS 11 12.213 10.380 -4.606 122 2HG LYS 11 1HG LYS 11 11.846 10.366 -2.879 123 1HD LYS 11 2HD LYS 11 13.728 11.615 -2.328 124 2HD LYS 11 1HD LYS 11 14.613 11.108 -3.767 125 1HE LYS 11 2HE LYS 11 12.126 12.638 -4.301 126 2HE LYS 11 1HE LYS 11 13.442 13.555 -3.540 127 1HZ LYS 11 1HZ LYS 11 13.809 11.765 -5.881 128 2HZ LYS 11 3HZ LYS 11 13.600 13.443 -6.007 129 3HZ LYS 11 2HZ LYS 11 14.959 12.816 -5.204 130 QB LYS 11 QB LYS 11 13.951 8.845 -3.531 131 QG LYS 11 QG LYS 11 12.030 10.373 -3.743 132 QD LYS 11 QD LYS 11 14.170 11.361 -3.047 133 QE LYS 11 QE LYS 11 12.784 13.096 -3.921 134 QZ LYS 11 QZ LYS 11 14.123 12.675 -5.697 135 H THR 12 H THR 12 10.090 9.057 -2.818 136 HA THR 12 HA THR 12 10.213 9.668 -0.037 137 HB THR 12 HB THR 12 7.765 10.004 -0.320 138 HG1 THR 12 1HG THR 12 7.309 8.212 -1.581 139 1HG2 THR 12 1HG2 THR 12 9.710 11.442 -1.444 140 2HG2 THR 12 3HG2 THR 12 8.921 10.894 -2.923 141 3HG2 THR 12 2HG2 THR 12 8.009 11.814 -1.725 142 QG2 THR 12 QG2 THR 12 8.880 11.383 -2.031 143 H LEU 13 H LEU 13 10.122 8.321 1.695 144 HA LEU 13 HA LEU 13 9.854 6.358 2.950 145 1HB LEU 13 2HB LEU 13 7.604 6.115 3.296 146 2HB LEU 13 1HB LEU 13 7.470 7.438 2.150 147 HG LEU 13 HG LEU 13 7.483 5.373 0.424 148 1HD1 LEU 13 3HD1 LEU 13 7.401 4.005 2.809 149 2HD1 LEU 13 2HD1 LEU 13 5.687 4.141 2.419 150 3HD1 LEU 13 1HD1 LEU 13 6.792 3.373 1.280 151 1HD2 LEU 13 2HD2 LEU 13 5.732 7.269 1.136 152 2HD2 LEU 13 1HD2 LEU 13 5.286 5.940 0.066 153 3HD2 LEU 13 3HD2 LEU 13 4.880 5.866 1.780 154 QB LEU 13 QB LEU 13 7.537 6.777 2.723 155 QD1 LEU 13 QD1 LEU 13 6.627 3.840 2.169 156 QD2 LEU 13 QD2 LEU 13 5.299 6.359 0.994 157 QQD LEU 13 QQD LEU 13 5.963 5.099 1.582 158 H LYS 14 H LYS 14 11.201 6.158 0.280 159 HA LYS 14 HA LYS 14 10.641 3.956 -1.294 160 1HB LYS 14 2HB LYS 14 13.097 3.860 -1.638 161 2HB LYS 14 1HB LYS 14 12.499 5.518 -1.622 162 1HG LYS 14 2HG LYS 14 13.060 5.472 0.913 163 2HG LYS 14 1HG LYS 14 14.032 4.053 0.522 164 1HD LYS 14 2HD LYS 14 14.304 6.731 -0.873 165 2HD LYS 14 1HD LYS 14 15.331 6.201 0.460 166 1HE LYS 14 2HE LYS 14 15.080 4.241 -1.747 167 2HE LYS 14 1HE LYS 14 15.933 5.741 -2.164 168 1HZ LYS 14 1HZ LYS 14 16.466 4.103 0.258 169 2HZ LYS 14 3HZ LYS 14 17.415 4.079 -1.147 170 3HZ LYS 14 2HZ LYS 14 17.308 5.499 -0.220 171 QB LYS 14 QB LYS 14 12.798 4.689 -1.630 172 QG LYS 14 QG LYS 14 13.546 4.762 0.718 173 QD LYS 14 QD LYS 14 14.817 6.466 -0.206 174 QE LYS 14 QE LYS 14 15.507 4.991 -1.955 175 QZ LYS 14 QZ LYS 14 17.063 4.560 -0.370 176 H GLY 15 H GLY 15 10.341 1.810 -0.882 177 1HA GLY 15 2HA GLY 15 11.916 -0.030 0.318 178 2HA GLY 15 1HA GLY 15 11.160 0.708 1.730 179 QA GLY 15 QA GLY 15 11.538 0.339 1.024 180 H GLU 16 H GLU 16 10.322 -1.564 1.975 181 HA GLU 16 HA GLU 16 7.745 -1.904 0.474 182 1HB GLU 16 2HB GLU 16 9.554 -3.386 -0.349 183 2HB GLU 16 1HB GLU 16 9.793 -3.992 1.289 184 1HG GLU 16 2HG GLU 16 7.683 -5.063 1.323 185 2HG GLU 16 1HG GLU 16 7.098 -4.138 -0.059 186 QB GLU 16 QB GLU 16 9.673 -3.689 0.470 187 QG GLU 16 QG GLU 16 7.391 -4.601 0.632 188 H ILE 17 H ILE 17 7.244 -0.661 2.670 189 HA ILE 17 HA ILE 17 7.369 -1.979 5.198 190 HB ILE 17 HB ILE 17 5.321 -0.035 4.067 191 1HG1 ILE 17 2HG1 ILE 17 7.548 0.816 5.857 192 2HG1 ILE 17 1HG1 ILE 17 7.980 0.405 4.199 193 1HG2 ILE 17 2HG2 ILE 17 6.027 -0.871 6.889 194 2HG2 ILE 17 1HG2 ILE 17 5.183 0.636 6.533 195 3HG2 ILE 17 3HG2 ILE 17 4.444 -0.910 6.111 196 1HD1 ILE 17 2HD1 ILE 17 5.720 2.295 4.887 197 2HD1 ILE 17 1HD1 ILE 17 7.369 2.842 4.581 198 3HD1 ILE 17 3HD1 ILE 17 6.459 2.031 3.307 199 QG1 ILE 17 QG1 ILE 17 7.764 0.611 5.028 200 QG2 ILE 17 QG2 ILE 17 5.218 -0.382 6.511 201 QD1 ILE 17 QD1 ILE 17 6.516 2.390 4.258 202 H THR 18 H THR 18 6.056 -3.539 6.137 203 HA THR 18 HA THR 18 3.915 -4.722 4.406 204 HB THR 18 HB THR 18 4.419 -6.774 5.720 205 HG1 THR 18 1HG THR 18 5.083 -5.823 7.631 206 1HG2 THR 18 3HG2 THR 18 6.017 -5.560 3.774 207 2HG2 THR 18 2HG2 THR 18 7.157 -6.072 5.017 208 3HG2 THR 18 1HG2 THR 18 6.079 -7.250 4.271 209 QG2 THR 18 QG2 THR 18 6.417 -6.294 4.354 210 H ILE 19 H ILE 19 1.847 -4.900 5.213 211 HA ILE 19 HA ILE 19 1.361 -4.409 8.113 212 HB ILE 19 HB ILE 19 -0.348 -2.708 7.518 213 1HG1 ILE 19 2HG1 ILE 19 0.188 -1.866 4.982 214 2HG1 ILE 19 1HG1 ILE 19 0.396 -3.606 4.787 215 1HG2 ILE 19 3HG2 ILE 19 2.080 -2.127 7.977 216 2HG2 ILE 19 2HG2 ILE 19 2.305 -2.028 6.231 217 3HG2 ILE 19 1HG2 ILE 19 1.188 -0.929 7.040 218 1HD1 ILE 19 1HD1 ILE 19 -1.861 -3.776 6.091 219 2HD1 ILE 19 3HD1 ILE 19 -2.060 -2.083 5.634 220 3HD1 ILE 19 2HD1 ILE 19 -1.899 -3.321 4.388 221 QG1 ILE 19 QG1 ILE 19 0.292 -2.736 4.885 222 QG2 ILE 19 QG2 ILE 19 1.858 -1.695 7.083 223 QD1 ILE 19 QD1 ILE 19 -1.940 -3.060 5.371 224 H GLU 20 H GLU 20 -0.451 -5.525 8.877 225 HA GLU 20 HA GLU 20 -1.648 -7.510 7.042 226 1HB GLU 20 2HB GLU 20 -2.560 -8.412 9.173 227 2HB GLU 20 1HB GLU 20 -0.820 -8.153 9.269 228 1HG GLU 20 2HG GLU 20 -1.021 -6.514 10.837 229 2HG GLU 20 1HG GLU 20 -2.447 -5.820 10.071 230 QB GLU 20 QB GLU 20 -1.690 -8.282 9.221 231 QG GLU 20 QG GLU 20 -1.734 -6.167 10.454 232 H ALA 21 H ALA 21 -3.998 -7.755 6.868 233 HA ALA 21 HA ALA 21 -5.808 -5.705 7.881 234 1HB ALA 21 2HB ALA 21 -4.846 -5.679 5.004 235 2HB ALA 21 1HB ALA 21 -6.267 -4.795 5.562 236 3HB ALA 21 3HB ALA 21 -4.673 -4.390 6.196 237 QB ALA 21 QB ALA 21 -5.262 -4.955 5.587 238 H VAL 22 H VAL 22 -8.038 -6.021 6.921 239 HA VAL 22 HA VAL 22 -8.912 -8.691 6.968 240 HB VAL 22 HB VAL 22 -10.318 -6.693 7.293 241 1HG1 VAL 22 1HG1 VAL 22 -9.117 -5.470 5.335 242 2HG1 VAL 22 3HG1 VAL 22 -10.300 -6.277 4.305 243 3HG1 VAL 22 2HG1 VAL 22 -10.840 -5.171 5.567 244 1HG2 VAL 22 2HG2 VAL 22 -11.116 -9.010 6.182 245 2HG2 VAL 22 1HG2 VAL 22 -12.231 -7.677 6.478 246 3HG2 VAL 22 3HG2 VAL 22 -11.550 -7.916 4.869 247 QG1 VAL 22 QG1 VAL 22 -10.086 -5.639 5.069 248 QG2 VAL 22 QG2 VAL 22 -11.632 -8.201 5.843 249 QQG VAL 22 QQG VAL 22 -10.859 -6.920 5.456 250 H ASP 23 H ASP 23 -8.014 -6.674 4.198 251 HA ASP 23 HA ASP 23 -7.420 -9.021 2.550 252 1HB ASP 23 2HB ASP 23 -9.934 -7.434 2.349 253 2HB ASP 23 1HB ASP 23 -9.143 -7.843 0.825 254 QB ASP 23 QB ASP 23 -9.539 -7.639 1.587 255 H ALA 24 H ALA 24 -6.783 -8.118 0.235 256 HA ALA 24 HA ALA 24 -4.758 -6.135 0.579 257 1HB ALA 24 3HB ALA 24 -5.299 -7.994 -1.267 258 2HB ALA 24 2HB ALA 24 -6.000 -6.607 -2.102 259 3HB ALA 24 1HB ALA 24 -4.296 -6.591 -1.642 260 QB ALA 24 QB ALA 24 -5.198 -7.064 -1.670 261 H ALA 25 H ALA 25 -8.154 -5.892 -0.316 262 HA ALA 25 HA ALA 25 -8.251 -3.312 -1.461 263 1HB ALA 25 2HB ALA 25 -10.069 -5.128 0.052 264 2HB ALA 25 1HB ALA 25 -10.585 -3.450 -0.118 265 3HB ALA 25 3HB ALA 25 -10.272 -4.427 -1.553 266 QB ALA 25 QB ALA 25 -10.309 -4.335 -0.540 267 H GLU 26 H GLU 26 -8.428 -4.300 1.960 268 HA GLU 26 HA GLU 26 -8.620 -1.610 3.023 269 1HB GLU 26 2HB GLU 26 -9.338 -3.700 4.178 270 2HB GLU 26 1HB GLU 26 -7.653 -4.213 4.262 271 1HG GLU 26 2HG GLU 26 -7.736 -3.190 6.308 272 2HG GLU 26 1HG GLU 26 -7.440 -1.738 5.350 273 QB GLU 26 QB GLU 26 -8.496 -3.956 4.220 274 QG GLU 26 QG GLU 26 -7.588 -2.464 5.829 275 H ALA 27 H ALA 27 -5.941 -3.920 2.539 276 HA ALA 27 HA ALA 27 -3.814 -2.425 3.686 277 1HB ALA 27 3HB ALA 27 -4.191 -4.568 1.675 278 2HB ALA 27 2HB ALA 27 -2.672 -3.679 1.532 279 3HB ALA 27 1HB ALA 27 -3.078 -4.499 3.042 280 QB ALA 27 QB ALA 27 -3.313 -4.249 2.083 281 H GLU 28 H GLU 28 -5.155 -2.344 0.378 282 HA GLU 28 HA GLU 28 -3.376 -0.439 -0.768 283 1HB GLU 28 2HB GLU 28 -5.281 -1.927 -1.762 284 2HB GLU 28 1HB GLU 28 -6.334 -0.572 -1.360 285 1HG GLU 28 2HG GLU 28 -4.980 0.935 -2.725 286 2HG GLU 28 1HG GLU 28 -3.832 -0.358 -3.076 287 QB GLU 28 QB GLU 28 -5.807 -1.250 -1.561 288 QG GLU 28 QG GLU 28 -4.406 0.289 -2.901 289 H LYS 29 H LYS 29 -6.364 -0.008 1.136 290 HA LYS 29 HA LYS 29 -6.459 2.881 0.915 291 1HB LYS 29 2HB LYS 29 -7.551 0.872 2.915 292 2HB LYS 29 1HB LYS 29 -7.986 2.581 2.915 293 1HG LYS 29 2HG LYS 29 -8.314 1.685 0.241 294 2HG LYS 29 1HG LYS 29 -9.033 0.445 1.268 295 1HD LYS 29 2HD LYS 29 -10.843 1.854 1.135 296 2HD LYS 29 1HD LYS 29 -10.025 2.620 2.497 297 1HE LYS 29 2HE LYS 29 -9.261 4.407 1.209 298 2HE LYS 29 1HE LYS 29 -9.296 3.465 -0.296 299 1HZ LYS 29 2HZ LYS 29 -11.728 3.350 -0.083 300 2HZ LYS 29 1HZ LYS 29 -11.653 4.369 1.274 301 3HZ LYS 29 3HZ LYS 29 -11.180 4.949 -0.248 302 QB LYS 29 QB LYS 29 -7.769 1.726 2.915 303 QG LYS 29 QG LYS 29 -8.673 1.065 0.754 304 QD LYS 29 QD LYS 29 -10.434 2.237 1.816 305 QE LYS 29 QE LYS 29 -9.279 3.936 0.457 306 QZ LYS 29 QZ LYS 29 -11.520 4.223 0.314 307 H ILE 30 H ILE 30 -5.321 0.683 3.506 308 HA ILE 30 HA ILE 30 -4.281 2.639 5.294 309 HB ILE 30 HB ILE 30 -3.343 -0.185 4.651 310 1HG1 ILE 30 2HG1 ILE 30 -5.073 0.599 6.982 311 2HG1 ILE 30 1HG1 ILE 30 -5.810 0.362 5.397 312 1HG2 ILE 30 2HG2 ILE 30 -1.701 1.158 5.969 313 2HG2 ILE 30 1HG2 ILE 30 -2.954 1.457 7.173 314 3HG2 ILE 30 3HG2 ILE 30 -2.373 -0.185 6.893 315 1HD1 ILE 30 3HD1 ILE 30 -3.899 -1.737 6.278 316 2HD1 ILE 30 2HD1 ILE 30 -5.430 -1.661 7.152 317 3HD1 ILE 30 1HD1 ILE 30 -5.423 -1.896 5.404 318 QG1 ILE 30 QG1 ILE 30 -5.441 0.480 6.190 319 QG2 ILE 30 QG2 ILE 30 -2.343 0.810 6.679 320 QD1 ILE 30 QD1 ILE 30 -4.917 -1.765 6.278 321 H PHE 31 H PHE 31 -2.855 1.021 2.484 322 HA PHE 31 HA PHE 31 -0.230 2.254 2.740 323 1HB PHE 31 2HB PHE 31 -1.778 0.644 0.725 324 2HB PHE 31 1HB PHE 31 -0.293 1.444 0.208 325 HD1 PHE 31 1HD PHE 31 1.546 1.263 2.360 326 HD2 PHE 31 2HD PHE 31 -1.411 -1.609 1.156 327 HE1 PHE 31 1HE PHE 31 2.882 -0.546 3.405 328 HE2 PHE 31 2HE PHE 31 -0.073 -3.421 2.199 329 1HZ PHE 31 HZ PHE 31 2.072 -2.887 3.324 330 QB PHE 31 QB PHE 31 -1.036 1.044 0.466 331 QG PHE 31 QD PHE 31 0.068 -0.173 1.758 332 QZ PHE 31 QE PHE 31 1.405 -1.984 2.802 333 QZ PHE 31 QR PHE 31 1.003 -1.440 2.489 334 H LYS 32 H LYS 32 -3.221 2.939 0.963 335 HA LYS 32 HA LYS 32 -2.116 5.231 -0.435 336 1HB LYS 32 2HB LYS 32 -4.820 3.952 -0.142 337 2HB LYS 32 1HB LYS 32 -4.620 5.475 -1.005 338 1HG LYS 32 2HG LYS 32 -2.988 4.453 -2.507 339 2HG LYS 32 1HG LYS 32 -3.104 2.925 -1.633 340 1HD LYS 32 2HD LYS 32 -4.506 2.795 -3.617 341 2HD LYS 32 1HD LYS 32 -5.547 2.859 -2.195 342 1HE LYS 32 2HE LYS 32 -6.579 4.666 -3.095 343 2HE LYS 32 1HE LYS 32 -5.053 5.563 -2.964 344 1HZ LYS 32 3HZ LYS 32 -4.335 4.526 -5.050 345 2HZ LYS 32 2HZ LYS 32 -5.844 3.761 -5.193 346 3HZ LYS 32 1HZ LYS 32 -5.738 5.454 -5.267 347 QB LYS 32 QB LYS 32 -4.720 4.714 -0.574 348 QG LYS 32 QG LYS 32 -3.046 3.689 -2.070 349 QD LYS 32 QD LYS 32 -5.026 2.827 -2.906 350 QE LYS 32 QE LYS 32 -5.816 5.115 -3.029 351 QZ LYS 32 QZ LYS 32 -5.306 4.580 -5.170 352 H GLN 33 H GLN 33 -2.709 4.932 2.764 353 HA GLN 33 HA GLN 33 -3.919 7.689 3.016 354 1HB GLN 33 2HB GLN 33 -5.100 5.696 4.083 355 2HB GLN 33 1HB GLN 33 -3.661 5.457 5.074 356 1HG GLN 33 2HG GLN 33 -5.056 6.766 6.451 357 2HG GLN 33 1HG GLN 33 -3.965 7.950 5.732 358 1HE2 GLN 33 2HE2 GLN 33 -7.779 7.770 4.180 359 2HE2 GLN 33 1HE2 GLN 33 -7.032 6.334 4.693 360 QB GLN 33 QB GLN 33 -4.381 5.577 4.579 361 QG GLN 33 QG GLN 33 -4.511 7.358 6.091 362 QE2 GLN 33 QE2 GLN 33 -7.406 7.052 4.436 363 H TYR 34 H TYR 34 -1.628 5.353 4.211 364 HA TYR 34 HA TYR 34 0.155 6.856 5.787 365 1HB TYR 34 2HB TYR 34 0.053 4.434 5.509 366 2HB TYR 34 1HB TYR 34 0.406 4.582 3.789 367 HD1 TYR 34 1HD TYR 34 2.726 5.665 3.171 368 HD2 TYR 34 2HD TYR 34 1.771 4.166 7.083 369 HE1 TYR 34 1HE TYR 34 5.143 5.538 3.717 370 HE2 TYR 34 2HE TYR 34 4.186 4.040 7.624 371 HH TYR 34 HH TYR 34 6.279 4.960 6.925 372 QB TYR 34 QB TYR 34 0.229 4.508 4.649 373 QG TYR 34 QD TYR 34 2.248 4.915 5.127 374 QZ TYR 34 QE TYR 34 4.664 4.789 5.671 375 QR TYR 34 QR TYR 34 3.456 4.852 5.399 376 H ALA 35 H ALA 35 0.016 6.349 2.261 377 HA ALA 35 HA ALA 35 2.396 7.698 1.433 378 1HB ALA 35 1HB ALA 35 -0.268 6.969 0.291 379 2HB ALA 35 3HB ALA 35 0.704 8.137 -0.604 380 3HB ALA 35 2HB ALA 35 1.346 6.526 -0.265 381 QB ALA 35 QB ALA 35 0.594 7.211 -0.193 382 H ASN 36 H ASN 36 -0.948 8.937 1.761 383 HA ASN 36 HA ASN 36 -0.382 11.661 1.073 384 1HB ASN 36 2HB ASN 36 -2.520 10.156 2.543 385 2HB ASN 36 1HB ASN 36 -2.553 11.917 2.541 386 1HD2 ASN 36 2HD2 ASN 36 -2.880 10.061 -1.125 387 2HD2 ASN 36 1HD2 ASN 36 -1.888 9.361 0.062 388 QB ASN 36 QB ASN 36 -2.536 11.037 2.542 389 QD2 ASN 36 QD2 ASN 36 -2.384 9.711 -0.531 390 H ASP 37 H ASP 37 -0.668 10.059 4.256 391 HA ASP 37 HA ASP 37 -0.193 12.290 5.922 392 1HB ASP 37 2HB ASP 37 -0.649 9.622 6.222 393 2HB ASP 37 1HB ASP 37 1.045 9.715 6.701 394 QB ASP 37 QB ASP 37 0.198 9.668 6.461 395 H ASN 38 H ASN 38 2.030 10.527 3.935 396 HA ASN 38 HA ASN 38 4.361 11.816 5.199 397 1HB ASN 38 2HB ASN 38 4.082 9.288 4.667 398 2HB ASN 38 1HB ASN 38 4.387 9.765 2.997 399 1HD2 ASN 38 2HD2 ASN 38 7.844 10.349 3.510 400 2HD2 ASN 38 1HD2 ASN 38 6.537 10.477 2.433 401 QB ASN 38 QB ASN 38 4.235 9.527 3.832 402 QD2 ASN 38 QD2 ASN 38 7.191 10.413 2.972 403 H GLY 39 H GLY 39 2.503 11.653 2.223 404 1HA GLY 39 2HA GLY 39 2.453 13.697 0.810 405 2HA GLY 39 1HA GLY 39 4.182 13.865 1.113 406 QA GLY 39 QA GLY 39 3.318 13.781 0.961 407 H ILE 40 H ILE 40 2.167 11.075 0.094 408 HA ILE 40 HA ILE 40 4.050 10.727 -2.210 409 HB ILE 40 HB ILE 40 2.875 8.955 -0.147 410 1HG1 ILE 40 2HG1 ILE 40 5.030 7.722 -0.764 411 2HG1 ILE 40 1HG1 ILE 40 5.370 9.089 -1.821 412 1HG2 ILE 40 3HG2 ILE 40 1.771 8.097 -2.256 413 2HG2 ILE 40 2HG2 ILE 40 3.386 7.827 -2.907 414 3HG2 ILE 40 1HG2 ILE 40 2.855 6.950 -1.470 415 1HD1 ILE 40 2HD1 ILE 40 4.564 9.566 1.025 416 2HD1 ILE 40 1HD1 ILE 40 6.241 9.154 0.646 417 3HD1 ILE 40 3HD1 ILE 40 5.501 10.599 -0.060 418 QG1 ILE 40 QG1 ILE 40 5.200 8.405 -1.292 419 QG2 ILE 40 QG2 ILE 40 2.670 7.625 -2.211 420 QD1 ILE 40 QD1 ILE 40 5.435 9.773 0.537 421 H ASP 41 H ASP 41 3.195 10.773 -4.186 422 HA ASP 41 HA ASP 41 0.429 10.048 -4.791 423 1HB ASP 41 2HB ASP 41 0.709 12.489 -3.668 424 2HB ASP 41 1HB ASP 41 0.980 12.917 -5.359 425 QB ASP 41 QB ASP 41 0.845 12.703 -4.514 426 H GLY 42 H GLY 42 1.292 8.817 -6.511 427 1HA GLY 42 2HA GLY 42 2.022 10.333 -8.914 428 2HA GLY 42 1HA GLY 42 3.299 9.281 -8.300 429 QA GLY 42 QA GLY 42 2.661 9.807 -8.607 430 H GLU 43 H GLU 43 2.145 6.995 -7.586 431 HA GLU 43 HA GLU 43 0.234 6.125 -9.702 432 1HB GLU 43 2HB GLU 43 3.043 5.048 -9.266 433 2HB GLU 43 1HB GLU 43 1.843 4.300 -10.322 434 1HG GLU 43 2HG GLU 43 1.672 6.550 -11.514 435 2HG GLU 43 1HG GLU 43 3.112 7.029 -10.617 436 QB GLU 43 QB GLU 43 2.443 4.674 -9.794 437 QG GLU 43 QG GLU 43 2.392 6.789 -11.066 438 H TRP 44 H TRP 44 -0.380 3.764 -9.317 439 HA TRP 44 HA TRP 44 0.131 2.603 -6.650 440 1HB TRP 44 2HB TRP 44 -2.396 4.062 -7.412 441 2HB TRP 44 1HB TRP 44 -2.506 2.636 -6.370 442 HD1 TRP 44 HD TRP 44 -1.552 6.269 -6.307 443 HE1 TRP 44 1HE TRP 44 -0.731 6.875 -3.934 444 HE3 TRP 44 3HE TRP 44 -1.267 1.608 -4.308 445 HZ2 TRP 44 2HZ TRP 44 -0.038 5.531 -1.498 446 HZ3 TRP 44 3HZ TRP 44 -0.522 1.286 -1.953 447 HH2 TRP 44 HH TRP 44 0.098 3.244 -0.560 448 QB TRP 44 QB TRP 44 -2.451 3.349 -6.891 449 H THR 45 H THR 45 0.254 0.452 -7.097 450 HA THR 45 HA THR 45 -1.782 -0.778 -8.894 451 HB THR 45 HB THR 45 -0.127 -1.798 -10.286 452 HG1 THR 45 1HG THR 45 1.683 -2.315 -9.411 453 1HG2 THR 45 1HG2 THR 45 -0.526 0.602 -10.776 454 2HG2 THR 45 3HG2 THR 45 0.835 1.018 -9.734 455 3HG2 THR 45 2HG2 THR 45 1.107 0.099 -11.218 456 QG2 THR 45 QG2 THR 45 0.472 0.573 -10.576 457 H TYR 46 H TYR 46 -2.460 -2.680 -8.031 458 HA TYR 46 HA TYR 46 -1.046 -3.736 -5.645 459 1HB TYR 46 2HB TYR 46 -3.412 -3.348 -5.438 460 2HB TYR 46 1HB TYR 46 -3.747 -4.231 -6.933 461 HD1 TYR 46 2HD TYR 46 -1.779 -4.881 -3.799 462 HD2 TYR 46 1HD TYR 46 -4.703 -6.334 -6.587 463 HE1 TYR 46 2HE TYR 46 -1.944 -6.996 -2.520 464 HE2 TYR 46 1HE TYR 46 -4.862 -8.457 -5.310 465 HH TYR 46 HH TYR 46 -2.895 -9.671 -3.510 466 QB TYR 46 QB TYR 46 -3.580 -3.790 -6.185 467 QG TYR 46 QD TYR 46 -3.241 -5.608 -5.193 468 QZ TYR 46 QE TYR 46 -3.403 -7.726 -3.915 469 QR TYR 46 QR TYR 46 -3.322 -6.667 -4.554 470 H ASP 47 H ASP 47 -0.174 -5.823 -5.576 471 HA ASP 47 HA ASP 47 0.029 -7.261 -8.199 472 1HB ASP 47 2HB ASP 47 2.019 -6.139 -6.806 473 2HB ASP 47 1HB ASP 47 1.944 -7.670 -5.935 474 QB ASP 47 QB ASP 47 1.982 -6.904 -6.370 475 H ASP 48 H ASP 48 -1.666 -8.748 -7.982 476 HA ASP 48 HA ASP 48 -2.332 -10.112 -5.525 477 1HB ASP 48 2HB ASP 48 -3.765 -11.450 -7.053 478 2HB ASP 48 1HB ASP 48 -3.905 -9.721 -7.369 479 QB ASP 48 QB ASP 48 -3.835 -10.585 -7.211 480 H ALA 49 H ALA 49 0.343 -10.547 -7.542 481 HA ALA 49 HA ALA 49 0.530 -13.474 -7.229 482 1HB ALA 49 3HB ALA 49 1.312 -11.710 -9.144 483 2HB ALA 49 2HB ALA 49 2.802 -11.821 -8.205 484 3HB ALA 49 1HB ALA 49 2.091 -13.275 -8.907 485 QB ALA 49 QB ALA 49 2.068 -12.269 -8.752 486 H THR 50 H THR 50 1.795 -10.504 -5.822 487 HA THR 50 HA THR 50 3.330 -12.151 -3.840 488 HB THR 50 HB THR 50 4.951 -10.260 -3.839 489 HG1 THR 50 1HG THR 50 4.686 -8.632 -5.346 490 1HG2 THR 50 3HG2 THR 50 4.872 -12.276 -5.564 491 2HG2 THR 50 2HG2 THR 50 4.603 -10.973 -6.721 492 3HG2 THR 50 1HG2 THR 50 6.064 -10.986 -5.733 493 QG2 THR 50 QG2 THR 50 5.180 -11.412 -6.006 494 H LYS 51 H LYS 51 0.590 -10.393 -4.153 495 HA LYS 51 HA LYS 51 -0.744 -9.123 -2.680 496 1HB LYS 51 2HB LYS 51 1.163 -10.503 -0.761 497 2HB LYS 51 1HB LYS 51 -0.322 -9.691 -0.269 498 1HG LYS 51 2HG LYS 51 -0.688 -11.617 -2.473 499 2HG LYS 51 1HG LYS 51 -0.146 -12.350 -0.964 500 1HD LYS 51 2HD LYS 51 -2.028 -10.769 0.064 501 2HD LYS 51 1HD LYS 51 -2.696 -10.911 -1.562 502 1HE LYS 51 2HE LYS 51 -2.993 -13.237 -1.377 503 2HE LYS 51 1HE LYS 51 -1.805 -13.377 -0.066 504 1HZ LYS 51 3HZ LYS 51 -3.295 -11.919 1.272 505 2HZ LYS 51 2HZ LYS 51 -4.470 -12.072 0.055 506 3HZ LYS 51 1HZ LYS 51 -3.958 -13.440 0.922 507 QB LYS 51 QB LYS 51 0.421 -10.097 -0.515 508 QG LYS 51 QG LYS 51 -0.417 -11.983 -1.719 509 QD LYS 51 QD LYS 51 -2.362 -10.840 -0.749 510 QE LYS 51 QE LYS 51 -2.399 -13.307 -0.722 511 QZ LYS 51 QZ LYS 51 -3.908 -12.477 0.750 512 H THR 52 H THR 52 1.508 -7.757 -3.874 513 HA THR 52 HA THR 52 2.143 -5.786 -1.691 514 HB THR 52 HB THR 52 3.865 -6.654 -4.035 515 HG1 THR 52 1HG THR 52 3.694 -8.304 -2.534 516 1HG2 THR 52 2HG2 THR 52 4.096 -4.603 -1.897 517 2HG2 THR 52 1HG2 THR 52 5.551 -5.532 -2.259 518 3HG2 THR 52 3HG2 THR 52 4.757 -4.605 -3.532 519 QG2 THR 52 QG2 THR 52 4.801 -4.913 -2.563 520 H PHE 53 H PHE 53 1.946 -3.600 -2.271 521 HA PHE 53 HA PHE 53 0.590 -3.058 -4.854 522 1HB PHE 53 2HB PHE 53 0.979 -1.540 -2.265 523 2HB PHE 53 1HB PHE 53 0.173 -0.836 -3.666 524 HD1 PHE 53 2HD PHE 53 0.057 -3.712 -1.284 525 HD2 PHE 53 1HD PHE 53 -2.111 -1.331 -4.141 526 HE1 PHE 53 2HE PHE 53 -2.060 -4.844 -0.630 527 HE2 PHE 53 1HE PHE 53 -4.210 -2.470 -3.485 528 1HZ PHE 53 HZ PHE 53 -4.185 -4.221 -1.735 529 QB PHE 53 QB PHE 53 0.576 -1.188 -2.965 530 QG PHE 53 QD PHE 53 -1.027 -2.521 -2.713 531 QZ PHE 53 QE PHE 53 -3.135 -3.657 -2.058 532 QZ PHE 53 QR PHE 53 -2.502 -3.316 -2.255 533 H THR 54 H THR 54 1.304 -0.456 -5.450 534 HA THR 54 HA THR 54 4.253 -0.200 -5.328 535 HB THR 54 HB THR 54 2.971 -0.148 -8.043 536 HG1 THR 54 1HG THR 54 2.291 -2.121 -7.293 537 1HG2 THR 54 2HG2 THR 54 5.407 0.464 -7.410 538 2HG2 THR 54 1HG2 THR 54 5.646 -1.275 -7.241 539 3HG2 THR 54 3HG2 THR 54 5.155 -0.599 -8.795 540 QG2 THR 54 QG2 THR 54 5.402 -0.470 -7.815 541 H VAL 55 H VAL 55 4.076 1.849 -4.436 542 HA VAL 55 HA VAL 55 2.405 3.819 -5.926 543 HB VAL 55 HB VAL 55 1.596 3.381 -3.684 544 1HG1 VAL 55 1HG1 VAL 55 4.476 3.878 -2.909 545 2HG1 VAL 55 3HG1 VAL 55 3.156 3.925 -1.736 546 3HG1 VAL 55 2HG1 VAL 55 3.498 2.434 -2.618 547 1HG2 VAL 55 1HG2 VAL 55 3.108 6.006 -3.873 548 2HG2 VAL 55 3HG2 VAL 55 1.432 5.713 -4.334 549 3HG2 VAL 55 2HG2 VAL 55 1.904 5.650 -2.636 550 QG1 VAL 55 QG1 VAL 55 3.710 3.412 -2.421 551 QG2 VAL 55 QG2 VAL 55 2.148 5.790 -3.614 552 QQG VAL 55 QQG VAL 55 2.929 4.601 -3.018 553 H THR 56 H THR 56 3.300 5.755 -6.545 554 HA THR 56 HA THR 56 6.116 6.332 -5.749 555 HB THR 56 HB THR 56 5.824 4.966 -7.927 556 HG1 THR 56 1HG THR 56 7.430 6.307 -8.953 557 1HG2 THR 56 2HG2 THR 56 3.994 6.888 -8.587 558 2HG2 THR 56 1HG2 THR 56 5.427 7.453 -9.443 559 3HG2 THR 56 3HG2 THR 56 4.806 5.829 -9.743 560 QG2 THR 56 QG2 THR 56 4.742 6.723 -9.257 561 H GLU 57 H GLU 57 6.640 8.619 -6.973 562 HA GLU 57 HA GLU 57 4.259 10.390 -6.486 563 1HB GLU 57 2HB GLU 57 6.101 10.352 -4.738 564 2HB GLU 57 1HB GLU 57 7.185 11.006 -5.966 565 1HG GLU 57 2HG GLU 57 4.561 12.367 -5.447 566 2HG GLU 57 1HG GLU 57 5.915 12.648 -4.352 567 QB GLU 57 QB GLU 57 6.643 10.679 -5.352 568 QG GLU 57 QG GLU 57 5.238 12.508 -4.899 No H/Q in entry = 568 Start of MODEL 18 1 1H MET 1 2HT MET 1 -5.514 -13.702 8.530 2 2H MET 1 1HT MET 1 -5.123 -15.287 8.062 3 3H MET 1 3HT MET 1 -5.128 -14.867 9.705 4 HA MET 1 HA MET 1 -3.210 -13.501 9.470 5 1HB MET 1 2HB MET 1 -3.307 -16.190 9.280 6 2HB MET 1 1HB MET 1 -2.507 -15.830 7.748 7 1HG MET 1 2HG MET 1 -1.074 -14.210 9.337 8 2HG MET 1 1HG MET 1 -1.537 -15.415 10.538 9 1HE MET 1 1HE MET 1 -0.873 -17.279 10.925 10 2HE MET 1 3HE MET 1 -0.952 -18.470 9.620 11 3HE MET 1 2HE MET 1 0.596 -18.067 10.356 12 QB MET 1 QB MET 1 -2.907 -16.010 8.514 13 QG MET 1 QG MET 1 -1.306 -14.813 9.937 14 QE MET 1 QE MET 1 -0.409 -17.939 10.301 15 H THR 2 H THR 2 -3.299 -11.652 8.140 16 HA THR 2 HA THR 2 -2.558 -12.085 5.268 17 HB THR 2 HB THR 2 -4.548 -10.090 6.401 18 HG1 THR 2 1HG THR 2 -6.019 -11.513 5.933 19 1HG2 THR 2 1HG2 THR 2 -3.257 -10.465 3.759 20 2HG2 THR 2 3HG2 THR 2 -4.998 -10.190 3.725 21 3HG2 THR 2 2HG2 THR 2 -3.935 -9.006 4.483 22 QG2 THR 2 QG2 THR 2 -4.064 -9.887 3.989 23 H THR 3 H THR 3 -1.035 -10.618 4.491 24 HA THR 3 HA THR 3 -0.310 -8.224 6.072 25 HB THR 3 HB THR 3 1.719 -10.387 5.448 26 HG1 THR 3 1HG THR 3 0.296 -9.849 7.841 27 1HG2 THR 3 1HG2 THR 3 2.110 -7.754 6.028 28 2HG2 THR 3 3HG2 THR 3 2.088 -8.445 7.651 29 3HG2 THR 3 2HG2 THR 3 3.248 -9.031 6.461 30 QG2 THR 3 QG2 THR 3 2.482 -8.410 6.713 31 H PHE 4 H PHE 4 -0.637 -6.875 4.305 32 HA PHE 4 HA PHE 4 0.509 -7.597 1.668 33 1HB PHE 4 2HB PHE 4 -1.311 -5.451 2.766 34 2HB PHE 4 1HB PHE 4 -0.697 -5.382 1.113 35 HD1 PHE 4 1HD PHE 4 -1.064 -7.420 -0.397 36 HD2 PHE 4 2HD PHE 4 -3.157 -6.826 3.307 37 HE1 PHE 4 1HE PHE 4 -2.787 -9.054 -1.109 38 HE2 PHE 4 2HE PHE 4 -4.880 -8.459 2.590 39 1HZ PHE 4 HZ PHE 4 -4.694 -9.575 0.386 40 QB PHE 4 QB PHE 4 -1.004 -5.416 1.939 41 QG PHE 4 QD PHE 4 -2.111 -7.123 1.455 42 QZ PHE 4 QE PHE 4 -3.833 -8.756 0.741 43 QZ PHE 4 QR PHE 4 -3.316 -8.267 0.956 44 H LYS 5 H LYS 5 2.004 -6.185 0.585 45 HA LYS 5 HA LYS 5 3.624 -4.482 2.450 46 1HB LYS 5 2HB LYS 5 4.401 -5.944 -0.104 47 2HB LYS 5 1HB LYS 5 5.505 -5.083 0.968 48 1HG LYS 5 2HG LYS 5 4.836 -6.641 2.816 49 2HG LYS 5 1HG LYS 5 3.880 -7.552 1.649 50 1HD LYS 5 2HD LYS 5 6.214 -7.467 0.308 51 2HD LYS 5 1HD LYS 5 6.835 -7.386 1.956 52 1HE LYS 5 2HE LYS 5 5.224 -9.385 2.428 53 2HE LYS 5 1HE LYS 5 5.222 -9.583 0.665 54 1HZ LYS 5 3HZ LYS 5 7.688 -9.302 2.294 55 2HZ LYS 5 2HZ LYS 5 7.049 -10.799 1.806 56 3HZ LYS 5 1HZ LYS 5 7.590 -9.683 0.644 57 QB LYS 5 QB LYS 5 4.953 -5.514 0.432 58 QG LYS 5 QG LYS 5 4.358 -7.096 2.233 59 QD LYS 5 QD LYS 5 6.525 -7.427 1.132 60 QE LYS 5 QE LYS 5 5.223 -9.484 1.546 61 QZ LYS 5 QZ LYS 5 7.442 -9.928 1.581 62 H LEU 6 H LEU 6 5.063 -2.991 0.688 63 HA LEU 6 HA LEU 6 3.406 -1.896 -1.468 64 1HB LEU 6 2HB LEU 6 2.299 -0.993 0.516 65 2HB LEU 6 1HB LEU 6 3.838 -0.411 1.147 66 HG LEU 6 HG LEU 6 3.995 0.957 -1.050 67 1HD1 LEU 6 2HD1 LEU 6 1.109 0.067 -1.051 68 2HD1 LEU 6 1HD1 LEU 6 1.628 1.549 -1.856 69 3HD1 LEU 6 3HD1 LEU 6 2.274 -0.008 -2.372 70 1HD2 LEU 6 2HD2 LEU 6 3.218 1.629 1.416 71 2HD2 LEU 6 1HD2 LEU 6 3.124 2.776 0.080 72 3HD2 LEU 6 3HD2 LEU 6 1.682 1.898 0.593 73 QB LEU 6 QB LEU 6 3.068 -0.702 0.832 74 QD1 LEU 6 QD1 LEU 6 1.670 0.536 -1.760 75 QD2 LEU 6 QD2 LEU 6 2.675 2.101 0.696 76 QQD LEU 6 QQD LEU 6 2.173 1.318 -0.532 77 H ILE 7 H ILE 7 5.092 -1.761 -2.917 78 HA ILE 7 HA ILE 7 7.769 -0.845 -2.078 79 HB ILE 7 HB ILE 7 6.553 -1.597 -4.765 80 1HG1 ILE 7 2HG1 ILE 7 8.482 -3.261 -3.157 81 2HG1 ILE 7 1HG1 ILE 7 6.753 -3.332 -2.814 82 1HG2 ILE 7 1HG2 ILE 7 9.366 -0.959 -3.873 83 2HG2 ILE 7 3HG2 ILE 7 9.062 -1.976 -5.282 84 3HG2 ILE 7 2HG2 ILE 7 8.480 -0.311 -5.253 85 1HD1 ILE 7 2HD1 ILE 7 7.630 -3.567 -5.664 86 2HD1 ILE 7 1HD1 ILE 7 7.862 -4.959 -4.605 87 3HD1 ILE 7 3HD1 ILE 7 6.245 -4.299 -4.853 88 QG1 ILE 7 QG1 ILE 7 7.618 -3.296 -2.986 89 QG2 ILE 7 QG2 ILE 7 8.969 -1.082 -4.803 90 QD1 ILE 7 QD1 ILE 7 7.246 -4.275 -5.041 91 H ILE 8 H ILE 8 8.162 1.342 -1.992 92 HA ILE 8 HA ILE 8 6.270 3.184 -3.281 93 HB ILE 8 HB ILE 8 8.798 3.925 -1.809 94 1HG1 ILE 8 2HG1 ILE 8 7.437 2.253 -0.458 95 2HG1 ILE 8 1HG1 ILE 8 7.652 3.812 0.308 96 1HG2 ILE 8 3HG2 ILE 8 6.155 5.236 -2.430 97 2HG2 ILE 8 2HG2 ILE 8 7.188 5.837 -1.126 98 3HG2 ILE 8 1HG2 ILE 8 7.788 5.815 -2.785 99 1HD1 ILE 8 3HD1 ILE 8 5.287 4.134 -1.113 100 2HD1 ILE 8 2HD1 ILE 8 5.193 2.472 -0.545 101 3HD1 ILE 8 1HD1 ILE 8 5.413 3.788 0.609 102 QG1 ILE 8 QG1 ILE 8 7.545 3.032 -0.075 103 QG2 ILE 8 QG2 ILE 8 7.044 5.629 -2.114 104 QD1 ILE 8 QD1 ILE 8 5.298 3.465 -0.350 105 H ASN 9 H ASN 9 6.608 3.503 -5.462 106 HA ASN 9 HA ASN 9 9.385 3.527 -6.532 107 1HB ASN 9 2HB ASN 9 7.573 2.164 -7.567 108 2HB ASN 9 1HB ASN 9 6.671 3.645 -7.886 109 1HD2 ASN 9 2HD2 ASN 9 8.475 4.360 -10.822 110 2HD2 ASN 9 1HD2 ASN 9 7.123 4.684 -9.848 111 QB ASN 9 QB ASN 9 7.122 2.905 -7.727 112 QD2 ASN 9 QD2 ASN 9 7.799 4.522 -10.335 113 H GLY 10 H GLY 10 8.973 5.744 -4.948 114 1HA GLY 10 2HA GLY 10 8.717 7.933 -6.969 115 2HA GLY 10 1HA GLY 10 7.974 8.091 -5.375 116 QA GLY 10 QA GLY 10 8.346 8.012 -6.172 117 H LYS 11 H LYS 11 9.179 9.244 -3.965 118 HA LYS 11 HA LYS 11 12.067 8.779 -3.693 119 1HB LYS 11 2HB LYS 11 12.631 11.139 -4.256 120 2HB LYS 11 1HB LYS 11 11.948 10.279 -5.634 121 1HG LYS 11 2HG LYS 11 9.770 11.422 -4.173 122 2HG LYS 11 1HG LYS 11 10.989 12.678 -4.376 123 1HD LYS 11 2HD LYS 11 10.112 10.941 -6.685 124 2HD LYS 11 1HD LYS 11 9.252 12.421 -6.261 125 1HE LYS 11 2HE LYS 11 11.767 13.396 -6.269 126 2HE LYS 11 1HE LYS 11 11.961 12.091 -7.457 127 1HZ LYS 11 1HZ LYS 11 9.860 12.893 -8.494 128 2HZ LYS 11 3HZ LYS 11 9.918 14.246 -7.476 129 3HZ LYS 11 2HZ LYS 11 11.151 13.991 -8.617 130 QB LYS 11 QB LYS 11 12.290 10.709 -4.945 131 QG LYS 11 QG LYS 11 10.380 12.050 -4.275 132 QD LYS 11 QD LYS 11 9.682 11.681 -6.473 133 QE LYS 11 QE LYS 11 11.864 12.744 -6.863 134 QZ LYS 11 QZ LYS 11 10.310 13.710 -8.196 135 H THR 12 H THR 12 10.014 8.427 -1.819 136 HA THR 12 HA THR 12 10.632 10.601 0.147 137 HB THR 12 HB THR 12 7.926 9.282 -0.125 138 HG1 THR 12 1HG THR 12 7.400 11.255 -1.284 139 1HG2 THR 12 1HG2 THR 12 8.946 10.839 1.847 140 2HG2 THR 12 3HG2 THR 12 8.294 12.082 0.779 141 3HG2 THR 12 2HG2 THR 12 7.235 10.823 1.415 142 QG2 THR 12 QG2 THR 12 8.158 11.248 1.347 143 H LEU 13 H LEU 13 8.827 7.503 0.008 144 HA LEU 13 HA LEU 13 9.964 6.712 2.629 145 1HB LEU 13 2HB LEU 13 7.789 5.784 0.767 146 2HB LEU 13 1HB LEU 13 8.345 4.725 2.062 147 HG LEU 13 HG LEU 13 7.529 7.584 2.575 148 1HD1 LEU 13 3HD1 LEU 13 5.856 5.181 2.071 149 2HD1 LEU 13 2HD1 LEU 13 5.432 6.128 3.500 150 3HD1 LEU 13 1HD1 LEU 13 5.453 6.892 1.913 151 1HD2 LEU 13 2HD2 LEU 13 8.158 5.138 4.194 152 2HD2 LEU 13 1HD2 LEU 13 8.647 6.810 4.464 153 3HD2 LEU 13 3HD2 LEU 13 7.001 6.302 4.837 154 QB LEU 13 QB LEU 13 8.067 5.254 1.414 155 QD1 LEU 13 QD1 LEU 13 5.580 6.067 2.495 156 QD2 LEU 13 QD2 LEU 13 7.936 6.083 4.498 157 QQD LEU 13 QQD LEU 13 6.758 6.075 3.496 158 H LYS 14 H LYS 14 9.671 5.292 -0.651 159 HA LYS 14 HA LYS 14 10.987 3.673 -1.760 160 1HB LYS 14 2HB LYS 14 12.894 5.325 -0.111 161 2HB LYS 14 1HB LYS 14 13.497 4.010 -1.121 162 1HG LYS 14 2HG LYS 14 11.589 5.984 -2.323 163 2HG LYS 14 1HG LYS 14 13.274 6.459 -2.105 164 1HD LYS 14 2HD LYS 14 12.681 3.795 -3.344 165 2HD LYS 14 1HD LYS 14 12.499 5.247 -4.330 166 1HE LYS 14 2HE LYS 14 14.945 5.643 -3.033 167 2HE LYS 14 1HE LYS 14 14.952 3.918 -3.449 168 1HZ LYS 14 3HZ LYS 14 14.231 6.122 -5.309 169 2HZ LYS 14 2HZ LYS 14 15.718 5.302 -5.305 170 3HZ LYS 14 1HZ LYS 14 14.288 4.471 -5.693 171 QB LYS 14 QB LYS 14 13.195 4.668 -0.616 172 QG LYS 14 QG LYS 14 12.431 6.221 -2.214 173 QD LYS 14 QD LYS 14 12.590 4.521 -3.837 174 QE LYS 14 QE LYS 14 14.949 4.780 -3.241 175 QZ LYS 14 QZ LYS 14 14.746 5.298 -5.436 176 H GLY 15 H GLY 15 9.882 1.913 -0.536 177 1HA GLY 15 2HA GLY 15 11.667 0.029 0.584 178 2HA GLY 15 1HA GLY 15 10.898 0.870 1.930 179 QA GLY 15 QA GLY 15 11.283 0.450 1.257 180 H GLU 16 H GLU 16 10.164 -1.536 2.157 181 HA GLU 16 HA GLU 16 7.533 -1.839 0.744 182 1HB GLU 16 2HB GLU 16 9.730 -3.817 1.384 183 2HB GLU 16 1HB GLU 16 8.090 -4.343 0.998 184 1HG GLU 16 2HG GLU 16 8.335 -2.810 -1.093 185 2HG GLU 16 1HG GLU 16 10.065 -2.898 -0.759 186 QB GLU 16 QB GLU 16 8.910 -4.080 1.191 187 QG GLU 16 QG GLU 16 9.200 -2.854 -0.926 188 H ILE 17 H ILE 17 7.092 -0.559 2.934 189 HA ILE 17 HA ILE 17 7.234 -1.867 5.466 190 HB ILE 17 HB ILE 17 6.774 0.529 5.106 191 1HG1 ILE 17 2HG1 ILE 17 4.246 -0.376 6.391 192 2HG1 ILE 17 1HG1 ILE 17 5.746 -1.013 7.068 193 1HG2 ILE 17 2HG2 ILE 17 4.921 -0.407 3.223 194 2HG2 ILE 17 1HG2 ILE 17 3.932 0.289 4.506 195 3HG2 ILE 17 3HG2 ILE 17 5.164 1.267 3.712 196 1HD1 ILE 17 2HD1 ILE 17 5.361 1.935 6.526 197 2HD1 ILE 17 1HD1 ILE 17 4.896 1.195 8.059 198 3HD1 ILE 17 3HD1 ILE 17 6.580 1.164 7.540 199 QG1 ILE 17 QG1 ILE 17 4.996 -0.695 6.730 200 QG2 ILE 17 QG2 ILE 17 4.672 0.383 3.814 201 QD1 ILE 17 QD1 ILE 17 5.612 1.432 7.375 202 H THR 18 H THR 18 6.274 -3.761 6.025 203 HA THR 18 HA THR 18 3.979 -4.807 4.486 204 HB THR 18 HB THR 18 4.462 -6.834 5.813 205 HG1 THR 18 1HG THR 18 5.457 -6.654 7.636 206 1HG2 THR 18 3HG2 THR 18 6.151 -5.649 3.949 207 2HG2 THR 18 2HG2 THR 18 7.234 -6.081 5.271 208 3HG2 THR 18 1HG2 THR 18 6.240 -7.320 4.506 209 QG2 THR 18 QG2 THR 18 6.542 -6.350 4.575 210 H ILE 19 H ILE 19 1.895 -5.005 5.304 211 HA ILE 19 HA ILE 19 1.407 -4.402 8.179 212 HB ILE 19 HB ILE 19 -0.297 -2.713 7.542 213 1HG1 ILE 19 2HG1 ILE 19 0.210 -1.916 5.008 214 2HG1 ILE 19 1HG1 ILE 19 0.480 -3.650 4.826 215 1HG2 ILE 19 2HG2 ILE 19 2.196 -2.196 7.944 216 2HG2 ILE 19 1HG2 ILE 19 2.311 -2.007 6.194 217 3HG2 ILE 19 3HG2 ILE 19 1.240 -0.960 7.126 218 1HD1 ILE 19 3HD1 ILE 19 -1.800 -3.749 6.235 219 2HD1 ILE 19 2HD1 ILE 19 -2.035 -2.177 5.473 220 3HD1 ILE 19 1HD1 ILE 19 -1.799 -3.615 4.477 221 QG1 ILE 19 QG1 ILE 19 0.345 -2.783 4.917 222 QG2 ILE 19 QG2 ILE 19 1.916 -1.721 7.088 223 QD1 ILE 19 QD1 ILE 19 -1.878 -3.180 5.395 224 H GLU 20 H GLU 20 -0.560 -5.281 8.951 225 HA GLU 20 HA GLU 20 -1.681 -7.446 7.276 226 1HB GLU 20 2HB GLU 20 -2.702 -8.119 9.437 227 2HB GLU 20 1HB GLU 20 -0.965 -7.863 9.593 228 1HG GLU 20 2HG GLU 20 -2.508 -5.411 10.059 229 2HG GLU 20 1HG GLU 20 -2.929 -6.699 11.186 230 QB GLU 20 QB GLU 20 -1.834 -7.991 9.515 231 QG GLU 20 QG GLU 20 -2.719 -6.055 10.622 232 H ALA 21 H ALA 21 -3.990 -7.671 6.956 233 HA ALA 21 HA ALA 21 -5.847 -5.543 7.683 234 1HB ALA 21 2HB ALA 21 -4.525 -5.692 4.977 235 2HB ALA 21 1HB ALA 21 -6.146 -5.013 5.136 236 3HB ALA 21 3HB ALA 21 -4.795 -4.277 5.998 237 QB ALA 21 QB ALA 21 -5.155 -4.994 5.370 238 H VAL 22 H VAL 22 -8.030 -5.994 6.769 239 HA VAL 22 HA VAL 22 -8.848 -8.679 6.898 240 HB VAL 22 HB VAL 22 -10.300 -6.698 7.129 241 1HG1 VAL 22 2HG1 VAL 22 -9.092 -5.534 5.139 242 2HG1 VAL 22 1HG1 VAL 22 -10.257 -6.391 4.130 243 3HG1 VAL 22 3HG1 VAL 22 -10.819 -5.247 5.348 244 1HG2 VAL 22 1HG2 VAL 22 -11.080 -8.561 4.864 245 2HG2 VAL 22 3HG2 VAL 22 -11.401 -8.802 6.582 246 3HG2 VAL 22 2HG2 VAL 22 -12.203 -7.496 5.708 247 QG1 VAL 22 QG1 VAL 22 -10.056 -5.724 4.872 248 QG2 VAL 22 QG2 VAL 22 -11.561 -8.286 5.718 249 QQG VAL 22 QQG VAL 22 -10.809 -7.005 5.295 250 H ASP 23 H ASP 23 -7.919 -6.744 4.087 251 HA ASP 23 HA ASP 23 -7.276 -9.136 2.520 252 1HB ASP 23 2HB ASP 23 -9.821 -7.641 2.283 253 2HB ASP 23 1HB ASP 23 -8.990 -7.919 0.752 254 QB ASP 23 QB ASP 23 -9.406 -7.780 1.517 255 H ALA 24 H ALA 24 -6.659 -8.265 0.160 256 HA ALA 24 HA ALA 24 -4.615 -6.293 0.477 257 1HB ALA 24 3HB ALA 24 -5.197 -8.178 -1.346 258 2HB ALA 24 2HB ALA 24 -5.855 -6.780 -2.198 259 3HB ALA 24 1HB ALA 24 -4.153 -6.806 -1.728 260 QB ALA 24 QB ALA 24 -5.069 -7.255 -1.758 261 H ALA 25 H ALA 25 -8.009 -6.054 -0.431 262 HA ALA 25 HA ALA 25 -8.097 -3.496 -1.620 263 1HB ALA 25 3HB ALA 25 -9.974 -5.118 0.098 264 2HB ALA 25 2HB ALA 25 -10.454 -3.538 -0.522 265 3HB ALA 25 1HB ALA 25 -10.049 -4.839 -1.642 266 QB ALA 25 QB ALA 25 -10.159 -4.498 -0.689 267 H GLU 26 H GLU 26 -8.528 -4.363 1.820 268 HA GLU 26 HA GLU 26 -8.642 -1.673 2.825 269 1HB GLU 26 2HB GLU 26 -9.386 -3.732 4.008 270 2HB GLU 26 1HB GLU 26 -7.709 -4.262 4.121 271 1HG GLU 26 2HG GLU 26 -7.809 -3.212 6.152 272 2HG GLU 26 1HG GLU 26 -7.479 -1.776 5.180 273 QB GLU 26 QB GLU 26 -8.547 -3.997 4.065 274 QG GLU 26 QG GLU 26 -7.644 -2.494 5.666 275 H ALA 27 H ALA 27 -5.965 -3.956 2.303 276 HA ALA 27 HA ALA 27 -3.838 -2.534 3.530 277 1HB ALA 27 3HB ALA 27 -4.220 -4.575 1.425 278 2HB ALA 27 2HB ALA 27 -2.707 -3.674 1.300 279 3HB ALA 27 1HB ALA 27 -3.090 -4.559 2.779 280 QB ALA 27 QB ALA 27 -3.339 -4.269 1.835 281 H GLU 28 H GLU 28 -5.098 -2.301 0.184 282 HA GLU 28 HA GLU 28 -3.309 -0.302 -0.776 283 1HB GLU 28 2HB GLU 28 -5.121 -1.776 -1.948 284 2HB GLU 28 1HB GLU 28 -6.226 -0.465 -1.532 285 1HG GLU 28 2HG GLU 28 -4.377 1.069 -2.592 286 2HG GLU 28 1HG GLU 28 -3.852 -0.417 -3.386 287 QB GLU 28 QB GLU 28 -5.674 -1.120 -1.740 288 QG GLU 28 QG GLU 28 -4.115 0.326 -2.989 289 H LYS 29 H LYS 29 -6.324 -0.060 1.095 290 HA LYS 29 HA LYS 29 -6.566 2.826 0.976 291 1HB LYS 29 2HB LYS 29 -7.481 0.808 3.062 292 2HB LYS 29 1HB LYS 29 -8.111 2.443 2.877 293 1HG LYS 29 2HG LYS 29 -8.238 0.303 0.731 294 2HG LYS 29 1HG LYS 29 -9.567 0.712 1.811 295 1HD LYS 29 2HD LYS 29 -8.218 2.641 -0.099 296 2HD LYS 29 1HD LYS 29 -9.772 1.860 -0.375 297 1HE LYS 29 2HE LYS 29 -10.309 2.915 2.033 298 2HE LYS 29 1HE LYS 29 -9.085 4.084 1.498 299 1HZ LYS 29 3HZ LYS 29 -10.300 4.162 -0.665 300 2HZ LYS 29 2HZ LYS 29 -11.550 3.269 0.059 301 3HZ LYS 29 1HZ LYS 29 -11.161 4.817 0.640 302 QB LYS 29 QB LYS 29 -7.796 1.625 2.970 303 QG LYS 29 QG LYS 29 -8.902 0.508 1.271 304 QD LYS 29 QD LYS 29 -8.995 2.251 -0.237 305 QE LYS 29 QE LYS 29 -9.697 3.499 1.766 306 QZ LYS 29 QZ LYS 29 -11.004 4.083 0.011 307 H ILE 30 H ILE 30 -5.326 0.607 3.483 308 HA ILE 30 HA ILE 30 -4.294 2.538 5.301 309 HB ILE 30 HB ILE 30 -3.369 -0.273 4.577 310 1HG1 ILE 30 2HG1 ILE 30 -5.069 0.538 6.934 311 2HG1 ILE 30 1HG1 ILE 30 -5.801 0.202 5.365 312 1HG2 ILE 30 1HG2 ILE 30 -2.739 1.530 6.926 313 2HG2 ILE 30 3HG2 ILE 30 -2.567 -0.222 7.016 314 3HG2 ILE 30 2HG2 ILE 30 -1.606 0.699 5.860 315 1HD1 ILE 30 2HD1 ILE 30 -3.839 -1.827 6.215 316 2HD1 ILE 30 1HD1 ILE 30 -5.246 -1.702 7.274 317 3HD1 ILE 30 3HD1 ILE 30 -5.462 -2.034 5.556 318 QG1 ILE 30 QG1 ILE 30 -5.435 0.370 6.150 319 QG2 ILE 30 QG2 ILE 30 -2.304 0.669 6.601 320 QD1 ILE 30 QD1 ILE 30 -4.849 -1.854 6.348 321 H PHE 31 H PHE 31 -2.884 1.015 2.428 322 HA PHE 31 HA PHE 31 -0.263 2.256 2.701 323 1HB PHE 31 2HB PHE 31 -1.814 0.745 0.596 324 2HB PHE 31 1HB PHE 31 -0.267 1.488 0.187 325 HD1 PHE 31 1HD PHE 31 1.412 1.129 2.485 326 HD2 PHE 31 2HD PHE 31 -1.544 -1.547 0.880 327 HE1 PHE 31 1HE PHE 31 2.605 -0.797 3.497 328 HE2 PHE 31 2HE PHE 31 -0.346 -3.470 1.890 329 1HZ PHE 31 HZ PHE 31 1.726 -3.093 3.198 330 QB PHE 31 QB PHE 31 -1.041 1.117 0.391 331 QG PHE 31 QD PHE 31 -0.066 -0.209 1.682 332 QZ PHE 31 QE PHE 31 1.129 -2.134 2.693 333 QZ PHE 31 QR PHE 31 0.771 -1.556 2.390 334 H LYS 32 H LYS 32 -3.282 2.992 1.011 335 HA LYS 32 HA LYS 32 -2.252 5.248 -0.463 336 1HB LYS 32 2HB LYS 32 -4.941 4.061 0.134 337 2HB LYS 32 1HB LYS 32 -4.816 5.603 -0.710 338 1HG LYS 32 2HG LYS 32 -3.035 3.459 -1.721 339 2HG LYS 32 1HG LYS 32 -4.760 3.195 -1.977 340 1HD LYS 32 2HD LYS 32 -3.532 5.861 -2.634 341 2HD LYS 32 1HD LYS 32 -3.415 4.525 -3.779 342 1HE LYS 32 2HE LYS 32 -5.652 4.597 -4.288 343 2HE LYS 32 1HE LYS 32 -6.116 5.001 -2.623 344 1HZ LYS 32 3HZ LYS 32 -4.741 6.841 -4.511 345 2HZ LYS 32 2HZ LYS 32 -6.394 6.902 -4.123 346 3HZ LYS 32 1HZ LYS 32 -5.226 7.215 -2.929 347 QB LYS 32 QB LYS 32 -4.878 4.832 -0.288 348 QG LYS 32 QG LYS 32 -3.898 3.327 -1.849 349 QD LYS 32 QD LYS 32 -3.474 5.193 -3.206 350 QE LYS 32 QE LYS 32 -5.884 4.799 -3.456 351 QZ LYS 32 QZ LYS 32 -5.453 6.986 -3.854 352 H GLN 33 H GLN 33 -2.792 4.909 2.826 353 HA GLN 33 HA GLN 33 -3.603 7.802 3.151 354 1HB GLN 33 2HB GLN 33 -3.906 5.270 4.753 355 2HB GLN 33 1HB GLN 33 -3.857 6.815 5.600 356 1HG GLN 33 2HG GLN 33 -5.669 7.605 3.982 357 2HG GLN 33 1HG GLN 33 -5.840 5.915 3.506 358 1HE2 GLN 33 2HE2 GLN 33 -7.764 5.095 6.333 359 2HE2 GLN 33 1HE2 GLN 33 -7.211 4.656 4.790 360 QB GLN 33 QB GLN 33 -3.882 6.042 5.177 361 QG GLN 33 QG GLN 33 -5.755 6.760 3.744 362 QE2 GLN 33 QE2 GLN 33 -7.487 4.876 5.562 363 H TYR 34 H TYR 34 -1.548 5.194 4.210 364 HA TYR 34 HA TYR 34 0.418 6.438 5.789 365 1HB TYR 34 2HB TYR 34 0.263 4.084 5.550 366 2HB TYR 34 1HB TYR 34 0.179 4.188 3.789 367 HD1 TYR 34 2HD TYR 34 2.541 5.255 6.540 368 HD2 TYR 34 1HD TYR 34 2.095 3.411 2.686 369 HE1 TYR 34 2HE TYR 34 4.989 4.866 6.443 370 HE2 TYR 34 1HE TYR 34 4.543 3.022 2.590 371 HH TYR 34 HH TYR 34 6.594 3.974 3.589 372 QB TYR 34 QB TYR 34 0.221 4.136 4.669 373 QG TYR 34 QD TYR 34 2.318 4.333 4.613 374 QZ TYR 34 QE TYR 34 4.766 3.944 4.517 375 QR TYR 34 QR TYR 34 3.542 4.138 4.565 376 H ALA 35 H ALA 35 -0.069 6.399 2.294 377 HA ALA 35 HA ALA 35 2.450 7.471 1.395 378 1HB ALA 35 2HB ALA 35 -0.294 6.979 0.408 379 2HB ALA 35 1HB ALA 35 0.511 8.347 -0.372 380 3HB ALA 35 3HB ALA 35 1.251 6.742 -0.410 381 QB ALA 35 QB ALA 35 0.489 7.356 -0.124 382 H ASN 36 H ASN 36 -0.733 9.080 1.643 383 HA ASN 36 HA ASN 36 0.098 11.766 1.370 384 1HB ASN 36 2HB ASN 36 -2.176 10.426 2.854 385 2HB ASN 36 1HB ASN 36 -2.081 12.177 2.637 386 1HD2 ASN 36 2HD2 ASN 36 -3.117 9.804 -0.513 387 2HD2 ASN 36 1HD2 ASN 36 -2.645 9.119 0.967 388 QB ASN 36 QB ASN 36 -2.129 11.301 2.745 389 QD2 ASN 36 QD2 ASN 36 -2.881 9.461 0.227 390 H ASP 37 H ASP 37 -0.232 9.803 4.328 391 HA ASP 37 HA ASP 37 0.208 11.718 6.319 392 1HB ASP 37 2HB ASP 37 0.908 8.824 5.955 393 2HB ASP 37 1HB ASP 37 1.444 9.659 7.413 394 QB ASP 37 QB ASP 37 1.176 9.242 6.684 395 H ASN 38 H ASN 38 2.503 10.418 4.055 396 HA ASN 38 HA ASN 38 4.733 11.816 5.410 397 1HB ASN 38 2HB ASN 38 4.463 9.521 3.491 398 2HB ASN 38 1HB ASN 38 6.006 10.363 3.638 399 1HD2 ASN 38 2HD2 ASN 38 4.927 7.726 6.484 400 2HD2 ASN 38 1HD2 ASN 38 4.050 7.922 5.044 401 QB ASN 38 QB ASN 38 5.234 9.942 3.564 402 QD2 ASN 38 QD2 ASN 38 4.489 7.824 5.764 403 H GLY 39 H GLY 39 3.508 11.210 2.112 404 1HA GLY 39 2HA GLY 39 3.068 13.559 0.966 405 2HA GLY 39 1HA GLY 39 4.821 13.686 1.149 406 QA GLY 39 QA GLY 39 3.944 13.623 1.058 407 H ILE 40 H ILE 40 2.447 11.242 0.084 408 HA ILE 40 HA ILE 40 4.324 10.466 -2.127 409 HB ILE 40 HB ILE 40 2.294 9.090 -0.401 410 1HG1 ILE 40 2HG1 ILE 40 4.946 9.760 0.101 411 2HG1 ILE 40 1HG1 ILE 40 3.996 8.586 0.991 412 1HG2 ILE 40 3HG2 ILE 40 2.211 8.097 -2.635 413 2HG2 ILE 40 2HG2 ILE 40 3.958 7.857 -2.599 414 3HG2 ILE 40 1HG2 ILE 40 2.923 6.975 -1.473 415 1HD1 ILE 40 1HD1 ILE 40 5.507 7.824 -1.496 416 2HD1 ILE 40 3HD1 ILE 40 6.277 7.830 0.093 417 3HD1 ILE 40 2HD1 ILE 40 4.894 6.775 -0.211 418 QG1 ILE 40 QG1 ILE 40 4.471 9.173 0.546 419 QG2 ILE 40 QG2 ILE 40 3.030 7.643 -2.236 420 QD1 ILE 40 QD1 ILE 40 5.560 7.476 -0.538 421 H ASP 41 H ASP 41 3.447 10.613 -4.222 422 HA ASP 41 HA ASP 41 0.573 10.405 -4.722 423 1HB ASP 41 2HB ASP 41 1.383 12.805 -3.772 424 2HB ASP 41 1HB ASP 41 1.652 13.065 -5.495 425 QB ASP 41 QB ASP 41 1.517 12.935 -4.633 426 H GLY 42 H GLY 42 0.927 9.026 -6.455 427 1HA GLY 42 2HA GLY 42 1.867 10.181 -8.951 428 2HA GLY 42 1HA GLY 42 2.963 8.946 -8.333 429 QA GLY 42 QA GLY 42 2.415 9.564 -8.642 430 H GLU 43 H GLU 43 2.468 6.836 -8.774 431 HA GLU 43 HA GLU 43 -0.249 6.264 -9.933 432 1HB GLU 43 2HB GLU 43 2.243 6.007 -11.036 433 2HB GLU 43 1HB GLU 43 2.001 4.390 -10.375 434 1HG GLU 43 2HG GLU 43 1.131 4.405 -12.633 435 2HG GLU 43 1HG GLU 43 -0.239 4.335 -11.523 436 QB GLU 43 QB GLU 43 2.122 5.198 -10.706 437 QG GLU 43 QG GLU 43 0.446 4.370 -12.078 438 H TRP 44 H TRP 44 -0.764 3.781 -9.654 439 HA TRP 44 HA TRP 44 0.188 2.602 -7.084 440 1HB TRP 44 2HB TRP 44 -2.518 3.802 -7.639 441 2HB TRP 44 1HB TRP 44 -2.406 2.387 -6.587 442 HD1 TRP 44 HD TRP 44 -1.389 6.061 -6.779 443 HE1 TRP 44 1HE TRP 44 -0.631 6.815 -4.432 444 HE3 TRP 44 3HE TRP 44 -1.444 1.571 -4.385 445 HZ2 TRP 44 2HZ TRP 44 -0.110 5.653 -1.870 446 HZ3 TRP 44 3HZ TRP 44 -0.811 1.418 -1.985 447 HH2 TRP 44 HH TRP 44 -0.141 3.453 -0.735 448 QB TRP 44 QB TRP 44 -2.462 3.095 -7.113 449 H THR 45 H THR 45 0.333 0.427 -7.393 450 HA THR 45 HA THR 45 -1.601 -0.917 -9.229 451 HB THR 45 HB THR 45 0.130 -1.911 -10.525 452 HG1 THR 45 1HG THR 45 2.253 -1.896 -9.903 453 1HG2 THR 45 2HG2 THR 45 -0.212 0.476 -11.060 454 2HG2 THR 45 1HG2 THR 45 1.064 0.902 -9.918 455 3HG2 THR 45 3HG2 THR 45 1.452 -0.025 -11.370 456 QG2 THR 45 QG2 THR 45 0.768 0.451 -10.783 457 H TYR 46 H TYR 46 -2.251 -2.842 -8.386 458 HA TYR 46 HA TYR 46 -0.937 -3.783 -5.885 459 1HB TYR 46 2HB TYR 46 -3.306 -3.396 -5.749 460 2HB TYR 46 1HB TYR 46 -3.604 -4.305 -7.234 461 HD1 TYR 46 1HD TYR 46 -1.716 -4.904 -4.042 462 HD2 TYR 46 2HD TYR 46 -4.584 -6.395 -6.867 463 HE1 TYR 46 1HE TYR 46 -1.917 -6.993 -2.730 464 HE2 TYR 46 2HE TYR 46 -4.788 -8.489 -5.552 465 HH TYR 46 HH TYR 46 -4.412 -9.195 -3.150 466 QB TYR 46 QB TYR 46 -3.455 -3.851 -6.492 467 QG TYR 46 QD TYR 46 -3.150 -5.650 -5.455 468 QZ TYR 46 QE TYR 46 -3.353 -7.741 -4.141 469 QR TYR 46 QR TYR 46 -3.251 -6.696 -4.798 470 H ASP 47 H ASP 47 0.181 -5.709 -5.832 471 HA ASP 47 HA ASP 47 0.386 -7.269 -8.373 472 1HB ASP 47 2HB ASP 47 2.117 -7.205 -5.875 473 2HB ASP 47 1HB ASP 47 2.497 -8.065 -7.365 474 QB ASP 47 QB ASP 47 2.307 -7.635 -6.620 475 H ASP 48 H ASP 48 -1.365 -8.702 -8.217 476 HA ASP 48 HA ASP 48 -2.179 -10.025 -5.786 477 1HB ASP 48 2HB ASP 48 -3.563 -11.349 -7.371 478 2HB ASP 48 1HB ASP 48 -3.646 -9.622 -7.713 479 QB ASP 48 QB ASP 48 -3.604 -10.485 -7.542 480 H ALA 49 H ALA 49 0.567 -10.551 -7.694 481 HA ALA 49 HA ALA 49 0.680 -13.474 -7.248 482 1HB ALA 49 3HB ALA 49 2.483 -11.442 -8.605 483 2HB ALA 49 2HB ALA 49 2.815 -13.175 -8.559 484 3HB ALA 49 1HB ALA 49 1.386 -12.572 -9.399 485 QB ALA 49 QB ALA 49 2.228 -12.396 -8.854 486 H THR 50 H THR 50 1.980 -10.456 -5.992 487 HA THR 50 HA THR 50 3.576 -12.022 -3.991 488 HB THR 50 HB THR 50 5.112 -10.058 -4.032 489 HG1 THR 50 1HG THR 50 4.722 -8.404 -5.386 490 1HG2 THR 50 3HG2 THR 50 5.083 -12.104 -5.739 491 2HG2 THR 50 2HG2 THR 50 4.781 -10.813 -6.902 492 3HG2 THR 50 1HG2 THR 50 6.240 -10.783 -5.910 493 QG2 THR 50 QG2 THR 50 5.368 -11.233 -6.184 494 H LYS 51 H LYS 51 0.776 -10.311 -4.318 495 HA LYS 51 HA LYS 51 -0.587 -9.088 -2.832 496 1HB LYS 51 2HB LYS 51 1.343 -10.327 -0.838 497 2HB LYS 51 1HB LYS 51 -0.266 -9.712 -0.468 498 1HG LYS 51 2HG LYS 51 0.211 -11.905 -2.500 499 2HG LYS 51 1HG LYS 51 -0.100 -12.237 -0.796 500 1HD LYS 51 2HD LYS 51 -2.289 -11.445 -0.900 501 2HD LYS 51 1HD LYS 51 -1.958 -10.419 -2.295 502 1HE LYS 51 2HE LYS 51 -2.064 -12.216 -3.808 503 2HE LYS 51 1HE LYS 51 -1.762 -13.421 -2.539 504 1HZ LYS 51 2HZ LYS 51 -4.162 -11.673 -2.689 505 2HZ LYS 51 1HZ LYS 51 -4.124 -13.306 -3.155 506 3HZ LYS 51 3HZ LYS 51 -3.869 -12.882 -1.532 507 QB LYS 51 QB LYS 51 0.538 -10.020 -0.653 508 QG LYS 51 QG LYS 51 0.055 -12.071 -1.648 509 QD LYS 51 QD LYS 51 -2.124 -10.932 -1.597 510 QE LYS 51 QE LYS 51 -1.913 -12.819 -3.173 511 QZ LYS 51 QZ LYS 51 -4.052 -12.620 -2.459 512 H THR 52 H THR 52 1.700 -7.715 -4.005 513 HA THR 52 HA THR 52 2.257 -5.713 -1.825 514 HB THR 52 HB THR 52 4.056 -6.463 -4.146 515 HG1 THR 52 1HG THR 52 4.252 -8.234 -3.018 516 1HG2 THR 52 3HG2 THR 52 4.245 -4.687 -1.750 517 2HG2 THR 52 2HG2 THR 52 5.705 -5.519 -2.286 518 3HG2 THR 52 1HG2 THR 52 4.855 -4.432 -3.384 519 QG2 THR 52 QG2 THR 52 4.935 -4.880 -2.473 520 H PHE 53 H PHE 53 1.932 -3.551 -2.394 521 HA PHE 53 HA PHE 53 0.636 -3.051 -5.009 522 1HB PHE 53 2HB PHE 53 0.958 -1.519 -2.424 523 2HB PHE 53 1HB PHE 53 0.170 -0.824 -3.840 524 HD1 PHE 53 1HD PHE 53 0.041 -3.683 -1.443 525 HD2 PHE 53 2HD PHE 53 -2.087 -1.381 -4.390 526 HE1 PHE 53 1HE PHE 53 -2.070 -4.850 -0.840 527 HE2 PHE 53 2HE PHE 53 -4.183 -2.544 -3.779 528 1HZ PHE 53 HZ PHE 53 -4.176 -4.279 -2.010 529 QB PHE 53 QB PHE 53 0.564 -1.171 -3.132 530 QG PHE 53 QD PHE 53 -1.023 -2.532 -2.916 531 QZ PHE 53 QE PHE 53 -3.127 -3.697 -2.310 532 QZ PHE 53 QR PHE 53 -2.495 -3.347 -2.492 533 H THR 54 H THR 54 1.302 -0.383 -5.547 534 HA THR 54 HA THR 54 4.231 -0.065 -5.437 535 HB THR 54 HB THR 54 2.964 -0.102 -8.163 536 HG1 THR 54 1HG THR 54 2.399 -2.104 -7.605 537 1HG2 THR 54 3HG2 THR 54 5.352 0.653 -7.574 538 2HG2 THR 54 2HG2 THR 54 5.691 -1.056 -7.299 539 3HG2 THR 54 1HG2 THR 54 5.178 -0.503 -8.894 540 QG2 THR 54 QG2 THR 54 5.407 -0.302 -7.922 541 H VAL 55 H VAL 55 3.753 1.904 -4.441 542 HA VAL 55 HA VAL 55 1.965 3.787 -5.849 543 HB VAL 55 HB VAL 55 1.531 3.556 -3.517 544 1HG1 VAL 55 1HG1 VAL 55 4.498 4.034 -3.114 545 2HG1 VAL 55 3HG1 VAL 55 3.311 4.091 -1.811 546 3HG1 VAL 55 2HG1 VAL 55 3.564 2.589 -2.696 547 1HG2 VAL 55 2HG2 VAL 55 1.488 5.882 -4.416 548 2HG2 VAL 55 1HG2 VAL 55 1.835 5.823 -2.687 549 3HG2 VAL 55 3HG2 VAL 55 3.139 6.104 -3.841 550 QG1 VAL 55 QG1 VAL 55 3.791 3.571 -2.541 551 QG2 VAL 55 QG2 VAL 55 2.154 5.936 -3.648 552 QQG VAL 55 QQG VAL 55 2.972 4.754 -3.094 553 H THR 56 H THR 56 3.057 4.631 -7.549 554 HA THR 56 HA THR 56 5.841 5.543 -7.365 555 HB THR 56 HB THR 56 3.619 5.364 -9.388 556 HG1 THR 56 1HG THR 56 4.848 3.667 -9.560 557 1HG2 THR 56 1HG2 THR 56 6.116 7.042 -9.768 558 2HG2 THR 56 3HG2 THR 56 5.060 6.516 -11.079 559 3HG2 THR 56 2HG2 THR 56 4.444 7.604 -9.834 560 QG2 THR 56 QG2 THR 56 5.206 7.054 -10.227 561 H GLU 57 H GLU 57 6.258 7.936 -8.004 562 HA GLU 57 HA GLU 57 4.174 9.739 -6.815 563 1HB GLU 57 2HB GLU 57 6.077 9.182 -5.280 564 2HB GLU 57 1HB GLU 57 7.187 9.870 -6.466 565 1HG GLU 57 2HG GLU 57 6.315 12.053 -6.188 566 2HG GLU 57 1HG GLU 57 4.860 11.459 -5.386 567 QB GLU 57 QB GLU 57 6.632 9.526 -5.873 568 QG GLU 57 QG GLU 57 5.588 11.756 -5.787 No H/Q in entry = 568 Start of MODEL 19 1 1H MET 1 3HT MET 1 -0.906 -12.670 8.151 2 2H MET 1 2HT MET 1 -2.464 -13.278 8.451 3 3H MET 1 1HT MET 1 -1.096 -14.159 8.941 4 HA MET 1 HA MET 1 -0.518 -14.738 6.750 5 1HB MET 1 2HB MET 1 -2.536 -15.793 7.900 6 2HB MET 1 1HB MET 1 -3.545 -14.751 6.897 7 1HG MET 1 2HG MET 1 -1.426 -16.340 5.522 8 2HG MET 1 1HG MET 1 -2.841 -17.213 6.108 9 1HE MET 1 3HE MET 1 -4.514 -17.759 4.698 10 2HE MET 1 2HE MET 1 -5.386 -16.452 5.495 11 3HE MET 1 1HE MET 1 -5.506 -16.644 3.748 12 QB MET 1 QB MET 1 -3.040 -15.272 7.398 13 QG MET 1 QG MET 1 -2.134 -16.777 5.815 14 QE MET 1 QE MET 1 -5.135 -16.952 4.647 15 H THR 2 H THR 2 -2.860 -12.096 6.902 16 HA THR 2 HA THR 2 -2.635 -11.630 3.969 17 HB THR 2 HB THR 2 -4.313 -10.305 6.126 18 HG1 THR 2 1HG THR 2 -5.020 -12.290 4.230 19 1HG2 THR 2 3HG2 THR 2 -4.096 -10.028 3.161 20 2HG2 THR 2 2HG2 THR 2 -5.701 -9.925 3.881 21 3HG2 THR 2 1HG2 THR 2 -4.437 -8.800 4.379 22 QG2 THR 2 QG2 THR 2 -4.745 -9.585 3.807 23 H THR 3 H THR 3 -0.237 -11.146 5.369 24 HA THR 3 HA THR 3 0.001 -8.347 6.157 25 HB THR 3 HB THR 3 2.210 -10.237 5.329 26 HG1 THR 3 1HG THR 3 1.821 -11.416 7.022 27 1HG2 THR 3 3HG2 THR 3 2.353 -7.681 6.172 28 2HG2 THR 3 2HG2 THR 3 2.319 -8.496 7.736 29 3HG2 THR 3 1HG2 THR 3 3.583 -8.883 6.568 30 QG2 THR 3 QG2 THR 3 2.752 -8.354 6.825 31 H PHE 4 H PHE 4 -0.763 -7.152 4.311 32 HA PHE 4 HA PHE 4 0.381 -7.539 1.652 33 1HB PHE 4 2HB PHE 4 -1.451 -5.602 3.043 34 2HB PHE 4 1HB PHE 4 -0.822 -5.198 1.446 35 HD1 PHE 4 2HD PHE 4 -0.951 -7.150 -0.331 36 HD2 PHE 4 1HD PHE 4 -3.418 -6.867 3.172 37 HE1 PHE 4 2HE PHE 4 -2.617 -8.642 -1.386 38 HE2 PHE 4 1HE PHE 4 -5.087 -8.365 2.109 39 1HZ PHE 4 HZ PHE 4 -4.687 -9.252 -0.170 40 QB PHE 4 QB PHE 4 -1.136 -5.400 2.244 41 QG PHE 4 QD PHE 4 -2.185 -7.008 1.420 42 QZ PHE 4 QE PHE 4 -3.852 -8.504 0.361 43 QZ PHE 4 QR PHE 4 -3.352 -8.055 0.679 44 H LYS 5 H LYS 5 2.017 -6.296 0.680 45 HA LYS 5 HA LYS 5 3.596 -4.546 2.529 46 1HB LYS 5 2HB LYS 5 4.372 -6.085 0.023 47 2HB LYS 5 1HB LYS 5 5.483 -5.171 1.043 48 1HG LYS 5 2HG LYS 5 5.780 -7.232 2.013 49 2HG LYS 5 1HG LYS 5 4.363 -6.727 2.933 50 1HD LYS 5 2HD LYS 5 2.929 -8.111 1.758 51 2HD LYS 5 1HD LYS 5 3.925 -8.081 0.303 52 1HE LYS 5 2HE LYS 5 5.433 -9.685 1.147 53 2HE LYS 5 1HE LYS 5 4.931 -9.402 2.827 54 1HZ LYS 5 1HZ LYS 5 2.683 -10.174 2.175 55 2HZ LYS 5 3HZ LYS 5 3.304 -10.614 0.659 56 3HZ LYS 5 2HZ LYS 5 3.868 -11.388 2.063 57 QB LYS 5 QB LYS 5 4.928 -5.628 0.533 58 QG LYS 5 QG LYS 5 5.072 -6.980 2.473 59 QD LYS 5 QD LYS 5 3.427 -8.096 1.030 60 QE LYS 5 QE LYS 5 5.182 -9.544 1.987 61 QZ LYS 5 QZ LYS 5 3.285 -10.725 1.632 62 H LEU 6 H LEU 6 5.091 -3.066 0.777 63 HA LEU 6 HA LEU 6 3.430 -1.979 -1.393 64 1HB LEU 6 2HB LEU 6 2.357 -1.032 0.591 65 2HB LEU 6 1HB LEU 6 3.912 -0.460 1.192 66 HG LEU 6 HG LEU 6 4.102 0.921 -0.941 67 1HD1 LEU 6 1HD1 LEU 6 1.227 -0.001 -1.164 68 2HD1 LEU 6 3HD1 LEU 6 1.863 1.401 -2.025 69 3HD1 LEU 6 2HD1 LEU 6 2.515 -0.206 -2.351 70 1HD2 LEU 6 3HD2 LEU 6 3.202 1.668 1.398 71 2HD2 LEU 6 2HD2 LEU 6 2.933 2.722 0.009 72 3HD2 LEU 6 1HD2 LEU 6 1.635 1.693 0.596 73 QB LEU 6 QB LEU 6 3.135 -0.746 0.892 74 QD1 LEU 6 QD1 LEU 6 1.869 0.398 -1.847 75 QD2 LEU 6 QD2 LEU 6 2.590 2.028 0.668 76 QQD LEU 6 QQD LEU 6 2.229 1.213 -0.589 77 H ILE 7 H ILE 7 5.033 -1.751 -2.900 78 HA ILE 7 HA ILE 7 7.759 -0.904 -2.140 79 HB ILE 7 HB ILE 7 6.421 -1.462 -4.818 80 1HG1 ILE 7 2HG1 ILE 7 8.358 -3.261 -3.362 81 2HG1 ILE 7 1HG1 ILE 7 6.628 -3.343 -3.031 82 1HG2 ILE 7 3HG2 ILE 7 9.194 -0.726 -3.984 83 2HG2 ILE 7 2HG2 ILE 7 9.017 -1.918 -5.273 84 3HG2 ILE 7 1HG2 ILE 7 8.317 -0.309 -5.457 85 1HD1 ILE 7 3HD1 ILE 7 6.234 -3.658 -5.489 86 2HD1 ILE 7 2HD1 ILE 7 7.981 -3.743 -5.714 87 3HD1 ILE 7 1HD1 ILE 7 7.154 -4.970 -4.753 88 QG1 ILE 7 QG1 ILE 7 7.493 -3.302 -3.197 89 QG2 ILE 7 QG2 ILE 7 8.843 -0.984 -4.905 90 QD1 ILE 7 QD1 ILE 7 7.123 -4.124 -5.319 91 H ILE 8 H ILE 8 7.823 1.284 -1.632 92 HA ILE 8 HA ILE 8 6.042 3.188 -2.964 93 HB ILE 8 HB ILE 8 8.392 3.796 -1.168 94 1HG1 ILE 8 2HG1 ILE 8 6.564 2.000 -0.305 95 2HG1 ILE 8 1HG1 ILE 8 7.263 3.198 0.762 96 1HG2 ILE 8 3HG2 ILE 8 5.909 5.206 -2.077 97 2HG2 ILE 8 2HG2 ILE 8 6.619 5.629 -0.514 98 3HG2 ILE 8 1HG2 ILE 8 7.572 5.801 -1.989 99 1HD1 ILE 8 3HD1 ILE 8 4.626 3.511 -0.694 100 2HD1 ILE 8 2HD1 ILE 8 4.795 3.039 0.993 101 3HD1 ILE 8 1HD1 ILE 8 5.309 4.644 0.470 102 QG1 ILE 8 QG1 ILE 8 6.914 2.599 0.229 103 QG2 ILE 8 QG2 ILE 8 6.700 5.545 -1.527 104 QD1 ILE 8 QD1 ILE 8 4.910 3.731 0.257 105 H ASN 9 H ASN 9 6.553 3.769 -5.040 106 HA ASN 9 HA ASN 9 9.404 3.985 -5.862 107 1HB ASN 9 2HB ASN 9 7.652 2.738 -7.177 108 2HB ASN 9 1HB ASN 9 6.837 4.278 -7.451 109 1HD2 ASN 9 2HD2 ASN 9 9.026 5.248 -10.034 110 2HD2 ASN 9 1HD2 ASN 9 7.612 5.577 -9.154 111 QB ASN 9 QB ASN 9 7.244 3.508 -7.314 112 QD2 ASN 9 QD2 ASN 9 8.319 5.412 -9.594 113 H GLY 10 H GLY 10 10.276 5.964 -6.637 114 1HA GLY 10 2HA GLY 10 9.648 8.311 -7.449 115 2HA GLY 10 1HA GLY 10 8.653 8.395 -5.995 116 QA GLY 10 QA GLY 10 9.151 8.353 -6.722 117 H LYS 11 H LYS 11 9.775 10.070 -4.976 118 HA LYS 11 HA LYS 11 12.629 9.488 -4.247 119 1HB LYS 11 2HB LYS 11 12.873 11.965 -4.172 120 2HB LYS 11 1HB LYS 11 12.362 11.400 -5.761 121 1HG LYS 11 2HG LYS 11 10.049 12.000 -5.280 122 2HG LYS 11 1HG LYS 11 10.476 12.448 -3.629 123 1HD LYS 11 2HD LYS 11 12.171 14.072 -4.767 124 2HD LYS 11 1HD LYS 11 11.166 13.847 -6.201 125 1HE LYS 11 2HE LYS 11 10.022 14.652 -3.507 126 2HE LYS 11 1HE LYS 11 10.485 15.823 -4.758 127 1HZ LYS 11 1HZ LYS 11 8.643 13.529 -5.180 128 2HZ LYS 11 3HZ LYS 11 8.143 15.132 -4.948 129 3HZ LYS 11 2HZ LYS 11 9.050 14.718 -6.324 130 QB LYS 11 QB LYS 11 12.618 11.682 -4.967 131 QG LYS 11 QG LYS 11 10.262 12.224 -4.455 132 QD LYS 11 QD LYS 11 11.668 13.960 -5.484 133 QE LYS 11 QE LYS 11 10.254 15.238 -4.132 134 QZ LYS 11 QZ LYS 11 8.612 14.460 -5.484 135 H THR 12 H THR 12 9.477 10.649 -3.106 136 HA THR 12 HA THR 12 10.373 11.222 -0.394 137 HB THR 12 HB THR 12 7.551 10.592 -1.241 138 HG1 THR 12 1HG THR 12 8.962 13.001 -1.730 139 1HG2 THR 12 2HG2 THR 12 8.627 11.489 1.117 140 2HG2 THR 12 1HG2 THR 12 8.205 13.004 0.320 141 3HG2 THR 12 3HG2 THR 12 6.967 11.783 0.603 142 QG2 THR 12 QG2 THR 12 7.933 12.092 0.680 143 H LEU 13 H LEU 13 11.125 9.578 0.840 144 HA LEU 13 HA LEU 13 11.232 7.533 1.963 145 1HB LEU 13 2HB LEU 13 9.258 7.263 3.060 146 2HB LEU 13 1HB LEU 13 8.634 8.547 2.036 147 HG LEU 13 HG LEU 13 8.044 6.689 0.363 148 1HD1 LEU 13 2HD1 LEU 13 9.223 5.139 2.527 149 2HD1 LEU 13 1HD1 LEU 13 7.569 4.620 2.210 150 3HD1 LEU 13 3HD1 LEU 13 8.760 4.617 0.909 151 1HD2 LEU 13 2HD2 LEU 13 6.544 7.958 2.107 152 2HD2 LEU 13 1HD2 LEU 13 5.900 6.528 1.299 153 3HD2 LEU 13 3HD2 LEU 13 6.525 6.408 2.943 154 QB LEU 13 QB LEU 13 8.946 7.905 2.548 155 QD1 LEU 13 QD1 LEU 13 8.517 4.792 1.882 156 QD2 LEU 13 QD2 LEU 13 6.323 6.965 2.116 157 QQD LEU 13 QQD LEU 13 7.420 5.878 1.999 158 H LYS 14 H LYS 14 11.178 5.165 1.576 159 HA LYS 14 HA LYS 14 10.310 4.079 -0.943 160 1HB LYS 14 2HB LYS 14 12.591 3.753 -1.881 161 2HB LYS 14 1HB LYS 14 12.194 5.461 -1.703 162 1HG LYS 14 2HG LYS 14 13.326 5.211 0.650 163 2HG LYS 14 1HG LYS 14 14.067 3.777 -0.060 164 1HD LYS 14 2HD LYS 14 14.159 6.521 -1.340 165 2HD LYS 14 1HD LYS 14 15.443 5.873 -0.317 166 1HE LYS 14 2HE LYS 14 15.121 3.790 -2.040 167 2HE LYS 14 1HE LYS 14 14.719 5.155 -3.102 168 1HZ LYS 14 2HZ LYS 14 16.726 6.288 -2.289 169 2HZ LYS 14 1HZ LYS 14 17.138 4.905 -1.393 170 3HZ LYS 14 3HZ LYS 14 17.096 4.834 -3.087 171 QB LYS 14 QB LYS 14 12.392 4.607 -1.792 172 QG LYS 14 QG LYS 14 13.697 4.494 0.295 173 QD LYS 14 QD LYS 14 14.801 6.197 -0.829 174 QE LYS 14 QE LYS 14 14.920 4.473 -2.571 175 QZ LYS 14 QZ LYS 14 16.987 5.342 -2.257 176 H GLY 15 H GLY 15 9.961 1.923 -0.537 177 1HA GLY 15 2HA GLY 15 11.717 0.037 0.460 178 2HA GLY 15 1HA GLY 15 10.995 0.725 1.914 179 QA GLY 15 QA GLY 15 11.356 0.381 1.187 180 H GLU 16 H GLU 16 10.445 -1.809 1.741 181 HA GLU 16 HA GLU 16 7.688 -2.025 0.557 182 1HB GLU 16 2HB GLU 16 9.473 -3.324 -0.610 183 2HB GLU 16 1HB GLU 16 9.839 -4.145 0.907 184 1HG GLU 16 2HG GLU 16 7.447 -4.927 0.975 185 2HG GLU 16 1HG GLU 16 7.236 -4.254 -0.641 186 QB GLU 16 QB GLU 16 9.656 -3.734 0.149 187 QG GLU 16 QG GLU 16 7.341 -4.591 0.167 188 H ILE 17 H ILE 17 7.322 -1.097 2.895 189 HA ILE 17 HA ILE 17 7.758 -2.699 5.224 190 HB ILE 17 HB ILE 17 5.956 -1.261 6.165 191 1HG1 ILE 17 2HG1 ILE 17 5.653 -0.127 3.372 192 2HG1 ILE 17 1HG1 ILE 17 4.575 -1.371 4.005 193 1HG2 ILE 17 2HG2 ILE 17 8.288 -0.406 5.823 194 2HG2 ILE 17 1HG2 ILE 17 7.769 0.270 4.279 195 3HG2 ILE 17 3HG2 ILE 17 7.066 0.865 5.783 196 1HD1 ILE 17 2HD1 ILE 17 5.099 1.181 5.527 197 2HD1 ILE 17 1HD1 ILE 17 3.837 1.082 4.299 198 3HD1 ILE 17 3HD1 ILE 17 3.766 0.044 5.724 199 QG1 ILE 17 QG1 ILE 17 5.114 -0.749 3.688 200 QG2 ILE 17 QG2 ILE 17 7.708 0.243 5.295 201 QD1 ILE 17 QD1 ILE 17 4.234 0.769 5.183 202 H THR 18 H THR 18 5.665 -3.567 6.469 203 HA THR 18 HA THR 18 3.887 -5.048 4.571 204 HB THR 18 HB THR 18 4.365 -7.104 5.887 205 HG1 THR 18 1HG THR 18 5.155 -6.717 7.782 206 1HG2 THR 18 2HG2 THR 18 5.917 -5.996 3.938 207 2HG2 THR 18 1HG2 THR 18 7.102 -6.207 5.225 208 3HG2 THR 18 3HG2 THR 18 6.196 -7.595 4.626 209 QG2 THR 18 QG2 THR 18 6.405 -6.599 4.596 210 H ILE 19 H ILE 19 1.778 -5.058 5.279 211 HA ILE 19 HA ILE 19 1.225 -4.681 8.188 212 HB ILE 19 HB ILE 19 -0.390 -2.889 7.625 213 1HG1 ILE 19 2HG1 ILE 19 0.210 -1.978 5.133 214 2HG1 ILE 19 1HG1 ILE 19 0.358 -3.716 4.873 215 1HG2 ILE 19 1HG2 ILE 19 2.093 -2.468 8.102 216 2HG2 ILE 19 3HG2 ILE 19 2.275 -2.227 6.365 217 3HG2 ILE 19 2HG2 ILE 19 1.216 -1.167 7.296 218 1HD1 ILE 19 1HD1 ILE 19 -1.926 -3.834 6.157 219 2HD1 ILE 19 3HD1 ILE 19 -2.054 -2.129 5.723 220 3HD1 ILE 19 2HD1 ILE 19 -1.919 -3.354 4.461 221 QG1 ILE 19 QG1 ILE 19 0.284 -2.847 5.003 222 QG2 ILE 19 QG2 ILE 19 1.862 -1.954 7.255 223 QD1 ILE 19 QD1 ILE 19 -1.966 -3.106 5.447 224 H GLU 20 H GLU 20 -0.387 -6.028 8.851 225 HA GLU 20 HA GLU 20 -1.719 -7.798 6.950 226 1HB GLU 20 2HB GLU 20 -2.699 -8.723 9.036 227 2HB GLU 20 1HB GLU 20 -0.956 -8.509 9.180 228 1HG GLU 20 2HG GLU 20 -1.375 -7.336 11.065 229 2HG GLU 20 1HG GLU 20 -1.987 -6.055 10.020 230 QB GLU 20 QB GLU 20 -1.828 -8.616 9.108 231 QG GLU 20 QG GLU 20 -1.681 -6.696 10.543 232 H ALA 21 H ALA 21 -4.052 -7.950 6.689 233 HA ALA 21 HA ALA 21 -5.834 -5.881 7.717 234 1HB ALA 21 3HB ALA 21 -4.790 -5.806 4.868 235 2HB ALA 21 2HB ALA 21 -6.198 -4.892 5.413 236 3HB ALA 21 1HB ALA 21 -4.609 -4.556 6.099 237 QB ALA 21 QB ALA 21 -5.199 -5.085 5.460 238 H VAL 22 H VAL 22 -8.053 -6.162 6.789 239 HA VAL 22 HA VAL 22 -8.948 -8.818 6.674 240 HB VAL 22 HB VAL 22 -10.338 -6.830 7.111 241 1HG1 VAL 22 1HG1 VAL 22 -9.135 -5.495 5.252 242 2HG1 VAL 22 3HG1 VAL 22 -10.281 -6.254 4.147 243 3HG1 VAL 22 2HG1 VAL 22 -10.866 -5.224 5.453 244 1HG2 VAL 22 3HG2 VAL 22 -11.436 -8.907 6.316 245 2HG2 VAL 22 2HG2 VAL 22 -12.300 -7.470 5.771 246 3HG2 VAL 22 1HG2 VAL 22 -11.262 -8.351 4.651 247 QG1 VAL 22 QG1 VAL 22 -10.094 -5.658 4.950 248 QG2 VAL 22 QG2 VAL 22 -11.666 -8.243 5.579 249 QQG VAL 22 QQG VAL 22 -10.880 -6.950 5.265 250 H ASP 23 H ASP 23 -8.038 -6.656 4.008 251 HA ASP 23 HA ASP 23 -7.485 -8.932 2.241 252 1HB ASP 23 2HB ASP 23 -9.976 -7.303 2.147 253 2HB ASP 23 1HB ASP 23 -9.208 -7.639 0.595 254 QB ASP 23 QB ASP 23 -9.592 -7.471 1.371 255 H ALA 24 H ALA 24 -6.871 -7.947 -0.034 256 HA ALA 24 HA ALA 24 -4.790 -6.033 0.309 257 1HB ALA 24 2HB ALA 24 -5.442 -7.775 -1.591 258 2HB ALA 24 1HB ALA 24 -6.208 -6.362 -2.316 259 3HB ALA 24 3HB ALA 24 -4.476 -6.350 -1.976 260 QB ALA 24 QB ALA 24 -5.375 -6.829 -1.961 261 H ALA 25 H ALA 25 -8.220 -5.632 -0.360 262 HA ALA 25 HA ALA 25 -8.296 -3.007 -1.398 263 1HB ALA 25 2HB ALA 25 -10.089 -4.926 -0.729 264 2HB ALA 25 1HB ALA 25 -10.337 -3.806 0.610 265 3HB ALA 25 3HB ALA 25 -10.556 -3.255 -1.051 266 QB ALA 25 QB ALA 25 -10.327 -3.996 -0.390 267 H GLU 26 H GLU 26 -8.561 -4.036 2.025 268 HA GLU 26 HA GLU 26 -8.497 -1.393 3.153 269 1HB GLU 26 2HB GLU 26 -8.315 -4.211 3.997 270 2HB GLU 26 1HB GLU 26 -7.416 -3.113 5.044 271 1HG GLU 26 2HG GLU 26 -10.265 -2.546 4.210 272 2HG GLU 26 1HG GLU 26 -9.882 -3.499 5.644 273 QB GLU 26 QB GLU 26 -7.865 -3.662 4.520 274 QG GLU 26 QG GLU 26 -10.074 -3.023 4.927 275 H ALA 27 H ALA 27 -5.950 -3.802 2.507 276 HA ALA 27 HA ALA 27 -3.711 -2.457 3.610 277 1HB ALA 27 1HB ALA 27 -4.270 -4.479 1.510 278 2HB ALA 27 3HB ALA 27 -2.707 -3.671 1.376 279 3HB ALA 27 2HB ALA 27 -3.128 -4.543 2.852 280 QB ALA 27 QB ALA 27 -3.368 -4.231 1.913 281 H GLU 28 H GLU 28 -5.034 -2.256 0.283 282 HA GLU 28 HA GLU 28 -3.235 -0.302 -0.739 283 1HB GLU 28 2HB GLU 28 -5.081 -1.764 -1.862 284 2HB GLU 28 1HB GLU 28 -6.168 -0.439 -1.443 285 1HG GLU 28 2HG GLU 28 -4.220 1.020 -2.536 286 2HG GLU 28 1HG GLU 28 -3.904 -0.484 -3.402 287 QB GLU 28 QB GLU 28 -5.624 -1.102 -1.652 288 QG GLU 28 QG GLU 28 -4.062 0.268 -2.969 289 H LYS 29 H LYS 29 -6.221 0.029 1.168 290 HA LYS 29 HA LYS 29 -6.393 2.920 0.978 291 1HB LYS 29 2HB LYS 29 -7.455 0.827 2.896 292 2HB LYS 29 1HB LYS 29 -7.880 2.532 3.018 293 1HG LYS 29 2HG LYS 29 -8.197 1.594 0.283 294 2HG LYS 29 1HG LYS 29 -9.126 0.591 1.398 295 1HD LYS 29 2HD LYS 29 -10.504 2.467 0.666 296 2HD LYS 29 1HD LYS 29 -10.120 2.660 2.376 297 1HE LYS 29 2HE LYS 29 -8.504 4.353 1.937 298 2HE LYS 29 1HE LYS 29 -8.442 3.952 0.210 299 1HZ LYS 29 2HZ LYS 29 -10.870 4.911 1.631 300 2HZ LYS 29 1HZ LYS 29 -9.865 5.896 0.680 301 3HZ LYS 29 3HZ LYS 29 -10.721 4.620 -0.036 302 QB LYS 29 QB LYS 29 -7.668 1.679 2.957 303 QG LYS 29 QG LYS 29 -8.661 1.093 0.841 304 QD LYS 29 QD LYS 29 -10.312 2.563 1.521 305 QE LYS 29 QE LYS 29 -8.473 4.152 1.074 306 QZ LYS 29 QZ LYS 29 -10.485 5.142 0.758 307 H ILE 30 H ILE 30 -5.273 0.738 3.592 308 HA ILE 30 HA ILE 30 -4.223 2.704 5.362 309 HB ILE 30 HB ILE 30 -3.313 -0.138 4.745 310 1HG1 ILE 30 2HG1 ILE 30 -5.028 0.681 7.074 311 2HG1 ILE 30 1HG1 ILE 30 -5.772 0.443 5.493 312 1HG2 ILE 30 1HG2 ILE 30 -2.531 1.853 6.822 313 2HG2 ILE 30 3HG2 ILE 30 -2.771 0.191 7.365 314 3HG2 ILE 30 2HG2 ILE 30 -1.589 0.545 6.105 315 1HD1 ILE 30 2HD1 ILE 30 -3.883 -1.681 6.338 316 2HD1 ILE 30 1HD1 ILE 30 -5.372 -1.571 7.278 317 3HD1 ILE 30 3HD1 ILE 30 -5.448 -1.818 5.534 318 QG1 ILE 30 QG1 ILE 30 -5.400 0.562 6.284 319 QG2 ILE 30 QG2 ILE 30 -2.297 0.863 6.764 320 QD1 ILE 30 QD1 ILE 30 -4.901 -1.690 6.383 321 H PHE 31 H PHE 31 -2.857 1.102 2.532 322 HA PHE 31 HA PHE 31 -0.195 2.265 2.786 323 1HB PHE 31 2HB PHE 31 -1.789 0.697 0.770 324 2HB PHE 31 1HB PHE 31 -0.272 1.437 0.266 325 HD1 PHE 31 2HD PHE 31 1.475 1.185 2.565 326 HD2 PHE 31 1HD PHE 31 -1.449 -1.582 1.072 327 HE1 PHE 31 2HE PHE 31 2.720 -0.690 3.608 328 HE2 PHE 31 1HE PHE 31 -0.205 -3.455 2.119 329 1HZ PHE 31 HZ PHE 31 1.879 -3.011 3.385 330 QB PHE 31 QB PHE 31 -1.030 1.067 0.518 331 QG PHE 31 QD PHE 31 0.013 -0.199 1.819 332 QZ PHE 31 QE PHE 31 1.258 -2.073 2.864 333 QZ PHE 31 QR PHE 31 0.884 -1.511 2.550 334 H LYS 32 H LYS 32 -3.191 3.036 1.069 335 HA LYS 32 HA LYS 32 -2.052 5.267 -0.395 336 1HB LYS 32 2HB LYS 32 -4.778 4.078 0.012 337 2HB LYS 32 1HB LYS 32 -4.583 5.609 -0.836 338 1HG LYS 32 2HG LYS 32 -3.166 4.614 -2.498 339 2HG LYS 32 1HG LYS 32 -3.049 3.111 -1.581 340 1HD LYS 32 2HD LYS 32 -4.652 2.775 -3.369 341 2HD LYS 32 1HD LYS 32 -5.538 2.839 -1.845 342 1HE LYS 32 2HE LYS 32 -6.828 4.408 -2.891 343 2HE LYS 32 1HE LYS 32 -5.463 5.507 -2.616 344 1HZ LYS 32 3HZ LYS 32 -5.649 3.674 -4.943 345 2HZ LYS 32 2HZ LYS 32 -6.147 5.297 -4.993 346 3HZ LYS 32 1HZ LYS 32 -4.519 4.916 -4.698 347 QB LYS 32 QB LYS 32 -4.681 4.843 -0.412 348 QG LYS 32 QG LYS 32 -3.107 3.862 -2.040 349 QD LYS 32 QD LYS 32 -5.095 2.807 -2.607 350 QE LYS 32 QE LYS 32 -6.145 4.958 -2.753 351 QZ LYS 32 QZ LYS 32 -5.438 4.629 -4.878 352 H GLN 33 H GLN 33 -2.644 4.993 2.841 353 HA GLN 33 HA GLN 33 -3.664 7.826 3.086 354 1HB GLN 33 2HB GLN 33 -5.017 6.062 4.204 355 2HB GLN 33 1HB GLN 33 -3.575 5.487 5.043 356 1HG GLN 33 2HG GLN 33 -3.418 7.445 6.362 357 2HG GLN 33 1HG GLN 33 -4.499 8.347 5.300 358 1HE2 GLN 33 2HE2 GLN 33 -7.402 6.398 6.541 359 2HE2 GLN 33 1HE2 GLN 33 -6.707 6.739 5.031 360 QB GLN 33 QB GLN 33 -4.296 5.775 4.624 361 QG GLN 33 QG GLN 33 -3.959 7.896 5.831 362 QE2 GLN 33 QE2 GLN 33 -7.055 6.569 5.786 363 H TYR 34 H TYR 34 -1.455 5.389 4.241 364 HA TYR 34 HA TYR 34 0.384 6.823 5.822 365 1HB TYR 34 2HB TYR 34 0.416 4.465 5.729 366 2HB TYR 34 1HB TYR 34 0.292 4.448 3.966 367 HD1 TYR 34 1HD TYR 34 2.321 4.836 2.584 368 HD2 TYR 34 2HD TYR 34 2.546 4.706 6.870 369 HE1 TYR 34 1HE TYR 34 4.785 4.591 2.446 370 HE2 TYR 34 2HE TYR 34 5.010 4.461 6.735 371 HH TYR 34 HH TYR 34 6.665 3.536 4.913 372 QB TYR 34 QB TYR 34 0.354 4.456 4.847 373 QG TYR 34 QD TYR 34 2.434 4.771 4.727 374 QZ TYR 34 QE TYR 34 4.898 4.526 4.591 375 QR TYR 34 QR TYR 34 3.666 4.648 4.659 376 H ALA 35 H ALA 35 0.277 6.303 2.295 377 HA ALA 35 HA ALA 35 2.692 7.630 1.522 378 1HB ALA 35 1HB ALA 35 0.035 6.966 0.271 379 2HB ALA 35 3HB ALA 35 1.180 7.973 -0.617 380 3HB ALA 35 2HB ALA 35 1.638 6.341 -0.123 381 QB ALA 35 QB ALA 35 0.951 7.093 -0.156 382 H ASN 36 H ASN 36 -0.666 8.881 1.696 383 HA ASN 36 HA ASN 36 -0.169 11.555 0.898 384 1HB ASN 36 2HB ASN 36 -2.180 10.109 2.570 385 2HB ASN 36 1HB ASN 36 -2.221 11.871 2.544 386 1HD2 ASN 36 2HD2 ASN 36 -2.781 9.972 -1.071 387 2HD2 ASN 36 1HD2 ASN 36 -1.690 9.306 0.045 388 QB ASN 36 QB ASN 36 -2.201 10.990 2.557 389 QD2 ASN 36 QD2 ASN 36 -2.236 9.639 -0.513 390 H ASP 37 H ASP 37 -0.216 10.180 4.198 391 HA ASP 37 HA ASP 37 0.360 12.539 5.647 392 1HB ASP 37 2HB ASP 37 -0.166 9.985 6.255 393 2HB ASP 37 1HB ASP 37 1.583 9.951 6.482 394 QB ASP 37 QB ASP 37 0.708 9.968 6.368 395 H ASN 38 H ASN 38 2.452 10.623 3.657 396 HA ASN 38 HA ASN 38 4.858 11.969 4.707 397 1HB ASN 38 2HB ASN 38 4.185 9.423 3.376 398 2HB ASN 38 1HB ASN 38 5.703 10.149 2.850 399 1HD2 ASN 38 2HD2 ASN 38 5.480 9.490 6.903 400 2HD2 ASN 38 1HD2 ASN 38 4.176 10.232 6.109 401 QB ASN 38 QB ASN 38 4.944 9.786 3.113 402 QD2 ASN 38 QD2 ASN 38 4.828 9.861 6.506 403 H GLY 39 H GLY 39 2.798 11.747 1.883 404 1HA GLY 39 2HA GLY 39 2.751 13.691 0.349 405 2HA GLY 39 1HA GLY 39 4.500 13.811 0.546 406 QA GLY 39 QA GLY 39 3.626 13.751 0.447 407 H ILE 40 H ILE 40 2.886 10.723 0.169 408 HA ILE 40 HA ILE 40 4.391 10.271 -2.352 409 HB ILE 40 HB ILE 40 3.188 8.689 -0.119 410 1HG1 ILE 40 2HG1 ILE 40 5.402 7.517 -0.352 411 2HG1 ILE 40 1HG1 ILE 40 5.797 8.670 -1.631 412 1HG2 ILE 40 2HG2 ILE 40 2.276 7.639 -2.247 413 2HG2 ILE 40 1HG2 ILE 40 3.949 7.321 -2.703 414 3HG2 ILE 40 3HG2 ILE 40 3.274 6.590 -1.246 415 1HD1 ILE 40 1HD1 ILE 40 4.906 9.510 1.132 416 2HD1 ILE 40 3HD1 ILE 40 6.608 9.326 0.683 417 3HD1 ILE 40 2HD1 ILE 40 5.602 10.526 -0.137 418 QG1 ILE 40 QG1 ILE 40 5.599 8.094 -0.991 419 QG2 ILE 40 QG2 ILE 40 3.166 7.183 -2.065 420 QD1 ILE 40 QD1 ILE 40 5.705 9.788 0.559 421 H ASP 41 H ASP 41 3.217 11.092 -4.032 422 HA ASP 41 HA ASP 41 0.433 10.059 -4.422 423 1HB ASP 41 2HB ASP 41 0.456 12.330 -3.349 424 2HB ASP 41 1HB ASP 41 1.305 12.943 -4.769 425 QB ASP 41 QB ASP 41 0.880 12.636 -4.059 426 H GLY 42 H GLY 42 0.807 8.841 -6.262 427 1HA GLY 42 2HA GLY 42 1.404 10.241 -8.747 428 2HA GLY 42 1HA GLY 42 2.669 9.104 -8.284 429 QA GLY 42 QA GLY 42 2.036 9.673 -8.516 430 H GLU 43 H GLU 43 2.337 6.932 -8.673 431 HA GLU 43 HA GLU 43 -0.291 6.181 -9.914 432 1HB GLU 43 2HB GLU 43 2.279 5.993 -10.828 433 2HB GLU 43 1HB GLU 43 2.063 4.395 -10.115 434 1HG GLU 43 2HG GLU 43 -0.173 4.327 -11.405 435 2HG GLU 43 1HG GLU 43 0.466 5.690 -12.324 436 QB GLU 43 QB GLU 43 2.171 5.194 -10.472 437 QG GLU 43 QG GLU 43 0.146 5.009 -11.865 438 H TRP 44 H TRP 44 -0.705 3.688 -9.595 439 HA TRP 44 HA TRP 44 0.118 2.566 -6.970 440 1HB TRP 44 2HB TRP 44 -2.574 3.772 -7.606 441 2HB TRP 44 1HB TRP 44 -2.498 2.351 -6.556 442 HD1 TRP 44 HD TRP 44 -1.677 6.052 -6.636 443 HE1 TRP 44 1HE TRP 44 -0.923 6.776 -4.278 444 HE3 TRP 44 3HE TRP 44 -1.356 1.488 -4.417 445 HZ2 TRP 44 2HZ TRP 44 -0.263 5.559 -1.768 446 HZ3 TRP 44 3HZ TRP 44 -0.659 1.290 -2.036 447 HH2 TRP 44 HH TRP 44 -0.110 3.319 -0.719 448 QB TRP 44 QB TRP 44 -2.536 3.061 -7.081 449 H THR 45 H THR 45 0.264 0.387 -7.278 450 HA THR 45 HA THR 45 -1.628 -0.956 -9.151 451 HB THR 45 HB THR 45 0.132 -1.938 -10.426 452 HG1 THR 45 1HG THR 45 2.097 -2.173 -9.682 453 1HG2 THR 45 2HG2 THR 45 -0.274 0.439 -10.977 454 2HG2 THR 45 1HG2 THR 45 0.995 0.902 -9.840 455 3HG2 THR 45 3HG2 THR 45 1.400 -0.024 -11.286 456 QG2 THR 45 QG2 THR 45 0.707 0.439 -10.701 457 H TYR 46 H TYR 46 -2.282 -2.872 -8.308 458 HA TYR 46 HA TYR 46 -0.976 -3.833 -5.817 459 1HB TYR 46 2HB TYR 46 -3.349 -3.475 -5.706 460 2HB TYR 46 1HB TYR 46 -3.617 -4.371 -7.206 461 HD1 TYR 46 2HD TYR 46 -1.813 -4.955 -3.964 462 HD2 TYR 46 1HD TYR 46 -4.519 -6.503 -6.915 463 HE1 TYR 46 2HE TYR 46 -2.000 -7.063 -2.680 464 HE2 TYR 46 1HE TYR 46 -4.702 -8.620 -5.636 465 HH TYR 46 HH TYR 46 -3.100 -9.862 -3.901 466 QB TYR 46 QB TYR 46 -3.483 -3.923 -6.456 467 QG TYR 46 QD TYR 46 -3.166 -5.729 -5.439 468 QZ TYR 46 QE TYR 46 -3.351 -7.841 -4.158 469 QR TYR 46 QR TYR 46 -3.259 -6.785 -4.799 470 H ASP 47 H ASP 47 -0.021 -5.870 -5.687 471 HA ASP 47 HA ASP 47 0.285 -7.371 -8.265 472 1HB ASP 47 2HB ASP 47 2.244 -6.213 -7.003 473 2HB ASP 47 1HB ASP 47 2.087 -7.537 -5.848 474 QB ASP 47 QB ASP 47 2.166 -6.875 -6.426 475 H ASP 48 H ASP 48 -1.404 -8.870 -8.078 476 HA ASP 48 HA ASP 48 -2.124 -10.218 -5.625 477 1HB ASP 48 2HB ASP 48 -3.608 -9.832 -7.576 478 2HB ASP 48 1HB ASP 48 -2.620 -10.942 -8.528 479 QB ASP 48 QB ASP 48 -3.114 -10.387 -8.052 480 H ALA 49 H ALA 49 0.613 -10.625 -7.565 481 HA ALA 49 HA ALA 49 0.829 -13.549 -7.226 482 1HB ALA 49 1HB ALA 49 1.546 -12.020 -9.233 483 2HB ALA 49 3HB ALA 49 2.961 -11.673 -8.238 484 3HB ALA 49 2HB ALA 49 2.620 -13.329 -8.741 485 QB ALA 49 QB ALA 49 2.375 -12.341 -8.737 486 H THR 50 H THR 50 2.008 -10.550 -5.806 487 HA THR 50 HA THR 50 3.539 -12.165 -3.795 488 HB THR 50 HB THR 50 5.142 -10.256 -3.783 489 HG1 THR 50 1HG THR 50 4.892 -8.738 -5.507 490 1HG2 THR 50 2HG2 THR 50 5.182 -12.294 -5.433 491 2HG2 THR 50 1HG2 THR 50 4.806 -11.076 -6.650 492 3HG2 THR 50 3HG2 THR 50 6.284 -10.942 -5.697 493 QG2 THR 50 QG2 THR 50 5.424 -11.438 -5.927 494 H LYS 51 H LYS 51 0.795 -10.413 -4.176 495 HA LYS 51 HA LYS 51 -0.573 -9.152 -2.731 496 1HB LYS 51 2HB LYS 51 1.315 -10.429 -0.718 497 2HB LYS 51 1HB LYS 51 -0.262 -9.736 -0.340 498 1HG LYS 51 2HG LYS 51 0.071 -11.937 -2.387 499 2HG LYS 51 1HG LYS 51 -0.188 -12.280 -0.675 500 1HD LYS 51 2HD LYS 51 -2.341 -11.368 -0.680 501 2HD LYS 51 1HD LYS 51 -2.023 -10.379 -2.106 502 1HE LYS 51 2HE LYS 51 -3.257 -12.051 -3.121 503 2HE LYS 51 1HE LYS 51 -1.667 -12.836 -3.189 504 1HZ LYS 51 2HZ LYS 51 -3.626 -13.093 -0.967 505 2HZ LYS 51 1HZ LYS 51 -3.314 -14.281 -2.142 506 3HZ LYS 51 3HZ LYS 51 -2.102 -13.842 -1.039 507 QB LYS 51 QB LYS 51 0.526 -10.082 -0.529 508 QG LYS 51 QG LYS 51 -0.059 -12.109 -1.531 509 QD LYS 51 QD LYS 51 -2.182 -10.874 -1.393 510 QE LYS 51 QE LYS 51 -2.462 -12.443 -3.155 511 QZ LYS 51 QZ LYS 51 -3.014 -13.739 -1.383 512 H THR 52 H THR 52 1.623 -7.747 -3.917 513 HA THR 52 HA THR 52 2.223 -5.755 -1.745 514 HB THR 52 HB THR 52 4.007 -6.638 -4.037 515 HG1 THR 52 1HG THR 52 5.161 -7.684 -2.390 516 1HG2 THR 52 3HG2 THR 52 4.298 -4.679 -1.767 517 2HG2 THR 52 2HG2 THR 52 5.715 -5.434 -2.498 518 3HG2 THR 52 1HG2 THR 52 4.639 -4.439 -3.480 519 QG2 THR 52 QG2 THR 52 4.884 -4.851 -2.582 520 H PHE 53 H PHE 53 1.886 -3.603 -2.330 521 HA PHE 53 HA PHE 53 0.621 -3.121 -4.962 522 1HB PHE 53 2HB PHE 53 0.909 -1.563 -2.387 523 2HB PHE 53 1HB PHE 53 0.126 -0.890 -3.818 524 HD1 PHE 53 2HD PHE 53 -0.002 -3.730 -1.394 525 HD2 PHE 53 1HD PHE 53 -2.129 -1.449 -4.359 526 HE1 PHE 53 2HE PHE 53 -2.111 -4.884 -0.772 527 HE2 PHE 53 1HE PHE 53 -4.226 -2.612 -3.737 528 1HZ PHE 53 HZ PHE 53 -4.218 -4.328 -1.949 529 QB PHE 53 QB PHE 53 0.517 -1.226 -3.103 530 QG PHE 53 QD PHE 53 -1.065 -2.590 -2.876 531 QZ PHE 53 QE PHE 53 -3.168 -3.748 -2.254 532 QZ PHE 53 QR PHE 53 -2.537 -3.401 -2.442 533 H THR 54 H THR 54 1.286 -0.440 -5.486 534 HA THR 54 HA THR 54 4.205 -0.093 -5.329 535 HB THR 54 HB THR 54 3.059 -0.152 -8.097 536 HG1 THR 54 1HG THR 54 2.434 -2.139 -7.687 537 1HG2 THR 54 2HG2 THR 54 5.720 -0.946 -6.888 538 2HG2 THR 54 1HG2 THR 54 5.347 -0.945 -8.612 539 3HG2 THR 54 3HG2 THR 54 5.365 0.572 -7.712 540 QG2 THR 54 QG2 THR 54 5.477 -0.440 -7.737 541 H VAL 55 H VAL 55 3.794 1.933 -4.448 542 HA VAL 55 HA VAL 55 1.982 3.736 -5.955 543 HB VAL 55 HB VAL 55 1.429 3.501 -3.633 544 1HG1 VAL 55 3HG1 VAL 55 4.340 4.151 -3.094 545 2HG1 VAL 55 2HG1 VAL 55 3.087 4.131 -1.854 546 3HG1 VAL 55 1HG1 VAL 55 3.484 2.648 -2.720 547 1HG2 VAL 55 3HG2 VAL 55 1.265 5.791 -4.537 548 2HG2 VAL 55 2HG2 VAL 55 1.659 5.812 -2.818 549 3HG2 VAL 55 1HG2 VAL 55 2.918 6.114 -4.015 550 QG1 VAL 55 QG1 VAL 55 3.637 3.643 -2.556 551 QG2 VAL 55 QG2 VAL 55 1.947 5.906 -3.790 552 QQG VAL 55 QQG VAL 55 2.792 4.774 -3.173 553 H THR 56 H THR 56 2.857 5.102 -7.334 554 HA THR 56 HA THR 56 5.716 5.899 -7.076 555 HB THR 56 HB THR 56 3.657 5.545 -9.226 556 HG1 THR 56 1HG THR 56 5.277 4.411 -10.124 557 1HG2 THR 56 1HG2 THR 56 5.997 7.453 -9.509 558 2HG2 THR 56 3HG2 THR 56 5.045 6.826 -10.855 559 3HG2 THR 56 2HG2 THR 56 4.285 7.860 -9.644 560 QG2 THR 56 QG2 THR 56 5.109 7.380 -10.003 561 H GLU 57 H GLU 57 6.075 8.307 -7.719 562 HA GLU 57 HA GLU 57 3.943 9.988 -6.444 563 1HB GLU 57 2HB GLU 57 6.171 9.694 -5.285 564 2HB GLU 57 1HB GLU 57 6.925 10.498 -6.663 565 1HG GLU 57 2HG GLU 57 5.952 12.554 -6.174 566 2HG GLU 57 1HG GLU 57 4.605 11.823 -5.299 567 QB GLU 57 QB GLU 57 6.548 10.096 -5.974 568 QG GLU 57 QG GLU 57 5.279 12.189 -5.736 No H/Q in entry = 568 Start of MODEL 20 1 1H MET 1 1HT MET 1 -2.718 -15.627 7.258 2 2H MET 1 3HT MET 1 -2.737 -15.702 8.953 3 3H MET 1 2HT MET 1 -4.017 -14.956 8.123 4 HA MET 1 HA MET 1 -2.693 -13.198 8.969 5 1HB MET 1 2HB MET 1 -0.234 -13.259 8.569 6 2HB MET 1 1HB MET 1 -0.784 -14.658 9.490 7 1HG MET 1 2HG MET 1 -0.772 -16.037 7.473 8 2HG MET 1 1HG MET 1 -0.340 -14.639 6.488 9 1HE MET 1 1HE MET 1 0.568 -17.500 7.157 10 2HE MET 1 3HE MET 1 2.337 -17.541 7.128 11 3HE MET 1 2HE MET 1 1.474 -17.637 8.661 12 QB MET 1 QB MET 1 -0.509 -13.958 9.029 13 QG MET 1 QG MET 1 -0.556 -15.338 6.980 14 QE MET 1 QE MET 1 1.460 -17.559 7.648 15 H THR 2 H THR 2 -2.552 -11.325 7.713 16 HA THR 2 HA THR 2 -2.341 -11.663 4.743 17 HB THR 2 HB THR 2 -4.313 -9.977 6.316 18 HG1 THR 2 1HG THR 2 -5.793 -11.497 5.336 19 1HG2 THR 2 3HG2 THR 2 -3.552 -10.148 3.451 20 2HG2 THR 2 2HG2 THR 2 -5.280 -10.078 3.795 21 3HG2 THR 2 1HG2 THR 2 -4.215 -8.789 4.358 22 QG2 THR 2 QG2 THR 2 -4.349 -9.672 3.868 23 H THR 3 H THR 3 -0.070 -10.925 5.915 24 HA THR 3 HA THR 3 0.140 -8.065 6.475 25 HB THR 3 HB THR 3 2.359 -9.991 5.760 26 HG1 THR 3 1HG THR 3 1.735 -11.138 7.384 27 1HG2 THR 3 1HG2 THR 3 2.497 -7.377 6.365 28 2HG2 THR 3 3HG2 THR 3 2.487 -8.038 8.001 29 3HG2 THR 3 2HG2 THR 3 3.740 -8.526 6.860 30 QG2 THR 3 QG2 THR 3 2.908 -7.980 7.075 31 H PHE 4 H PHE 4 -0.697 -7.066 4.534 32 HA PHE 4 HA PHE 4 0.375 -7.669 1.897 33 1HB PHE 4 2HB PHE 4 -1.468 -5.716 3.196 34 2HB PHE 4 1HB PHE 4 -0.779 -5.243 1.641 35 HD1 PHE 4 2HD PHE 4 -0.904 -6.961 -0.282 36 HD2 PHE 4 1HD PHE 4 -3.303 -7.194 3.270 37 HE1 PHE 4 2HE PHE 4 -2.490 -8.459 -1.457 38 HE2 PHE 4 1HE PHE 4 -4.893 -8.690 2.090 39 1HZ PHE 4 HZ PHE 4 -4.485 -9.325 -0.267 40 QB PHE 4 QB PHE 4 -1.124 -5.480 2.419 41 QG PHE 4 QD PHE 4 -2.104 -7.078 1.494 42 QZ PHE 4 QE PHE 4 -3.691 -8.575 0.317 43 QZ PHE 4 QR PHE 4 -3.215 -8.126 0.671 44 H LYS 5 H LYS 5 2.039 -6.621 0.810 45 HA LYS 5 HA LYS 5 3.749 -4.792 2.442 46 1HB LYS 5 2HB LYS 5 4.147 -6.688 0.124 47 2HB LYS 5 1HB LYS 5 5.377 -5.492 0.528 48 1HG LYS 5 2HG LYS 5 5.883 -6.495 2.555 49 2HG LYS 5 1HG LYS 5 4.273 -7.190 2.733 50 1HD LYS 5 2HD LYS 5 6.006 -8.117 0.470 51 2HD LYS 5 1HD LYS 5 6.323 -8.730 2.092 52 1HE LYS 5 2HE LYS 5 4.053 -9.583 2.280 53 2HE LYS 5 1HE LYS 5 3.604 -8.831 0.736 54 1HZ LYS 5 2HZ LYS 5 5.338 -10.125 -0.354 55 2HZ LYS 5 1HZ LYS 5 5.729 -10.874 1.120 56 3HZ LYS 5 3HZ LYS 5 4.215 -11.148 0.407 57 QB LYS 5 QB LYS 5 4.762 -6.090 0.326 58 QG LYS 5 QG LYS 5 5.078 -6.842 2.644 59 QD LYS 5 QD LYS 5 6.164 -8.424 1.281 60 QE LYS 5 QE LYS 5 3.829 -9.207 1.508 61 QZ LYS 5 QZ LYS 5 5.094 -10.715 0.391 62 H LEU 6 H LEU 6 5.109 -3.310 0.720 63 HA LEU 6 HA LEU 6 3.513 -2.314 -1.530 64 1HB LEU 6 2HB LEU 6 2.567 -1.459 0.764 65 2HB LEU 6 1HB LEU 6 3.970 -0.403 0.756 66 HG LEU 6 HG LEU 6 1.503 -0.299 -0.906 67 1HD1 LEU 6 3HD1 LEU 6 2.699 1.317 0.936 68 2HD1 LEU 6 2HD1 LEU 6 3.264 2.050 -0.563 69 3HD1 LEU 6 1HD1 LEU 6 1.538 1.878 -0.264 70 1HD2 LEU 6 2HD2 LEU 6 4.204 0.501 -2.062 71 2HD2 LEU 6 1HD2 LEU 6 3.147 -0.760 -2.694 72 3HD2 LEU 6 3HD2 LEU 6 2.639 0.927 -2.753 73 QB LEU 6 QB LEU 6 3.268 -0.931 0.760 74 QD1 LEU 6 QD1 LEU 6 2.501 1.748 0.036 75 QD2 LEU 6 QD2 LEU 6 3.330 0.223 -2.503 76 QQD LEU 6 QQD LEU 6 2.915 0.985 -1.233 77 H ILE 7 H ILE 7 5.124 -1.859 -2.979 78 HA ILE 7 HA ILE 7 7.792 -0.987 -2.027 79 HB ILE 7 HB ILE 7 6.679 -1.559 -4.801 80 1HG1 ILE 7 2HG1 ILE 7 8.494 -3.333 -3.154 81 2HG1 ILE 7 1HG1 ILE 7 6.738 -3.468 -3.060 82 1HG2 ILE 7 2HG2 ILE 7 8.910 -0.140 -4.256 83 2HG2 ILE 7 1HG2 ILE 7 9.578 -1.768 -4.149 84 3HG2 ILE 7 3HG2 ILE 7 8.795 -1.233 -5.635 85 1HD1 ILE 7 2HD1 ILE 7 8.242 -3.569 -5.683 86 2HD1 ILE 7 1HD1 ILE 7 7.869 -5.013 -4.743 87 3HD1 ILE 7 3HD1 ILE 7 6.562 -4.016 -5.383 88 QG1 ILE 7 QG1 ILE 7 7.616 -3.400 -3.107 89 QG2 ILE 7 QG2 ILE 7 9.094 -1.047 -4.680 90 QD1 ILE 7 QD1 ILE 7 7.558 -4.199 -5.270 91 H ILE 8 H ILE 8 8.078 1.204 -1.749 92 HA ILE 8 HA ILE 8 6.204 3.082 -3.020 93 HB ILE 8 HB ILE 8 8.641 3.784 -1.381 94 1HG1 ILE 8 2HG1 ILE 8 7.116 1.987 -0.251 95 2HG1 ILE 8 1HG1 ILE 8 7.512 3.426 0.667 96 1HG2 ILE 8 2HG2 ILE 8 6.180 5.124 -2.350 97 2HG2 ILE 8 1HG2 ILE 8 6.650 5.506 -0.693 98 3HG2 ILE 8 3HG2 ILE 8 7.781 5.792 -2.016 99 1HD1 ILE 8 1HD1 ILE 8 5.063 3.626 -0.974 100 2HD1 ILE 8 3HD1 ILE 8 4.982 2.471 0.354 101 3HD1 ILE 8 2HD1 ILE 8 5.357 4.165 0.677 102 QG1 ILE 8 QG1 ILE 8 7.314 2.707 0.208 103 QG2 ILE 8 QG2 ILE 8 6.870 5.474 -1.687 104 QD1 ILE 8 QD1 ILE 8 5.134 3.421 0.019 105 H ASN 9 H ASN 9 6.650 3.503 -5.167 106 HA ASN 9 HA ASN 9 9.450 3.606 -6.123 107 1HB ASN 9 2HB ASN 9 7.647 2.442 -7.367 108 2HB ASN 9 1HB ASN 9 6.773 3.965 -7.512 109 1HD2 ASN 9 2HD2 ASN 9 8.962 5.285 -10.019 110 2HD2 ASN 9 1HD2 ASN 9 7.839 5.711 -8.817 111 QB ASN 9 QB ASN 9 7.210 3.203 -7.439 112 QD2 ASN 9 QD2 ASN 9 8.401 5.498 -9.418 113 H GLY 10 H GLY 10 10.447 5.516 -6.855 114 1HA GLY 10 2HA GLY 10 10.257 7.864 -7.624 115 2HA GLY 10 1HA GLY 10 8.902 8.054 -6.509 116 QA GLY 10 QA GLY 10 9.579 7.959 -7.066 117 H LYS 11 H LYS 11 11.106 9.790 -6.435 118 HA LYS 11 HA LYS 11 13.169 9.109 -4.589 119 1HB LYS 11 2HB LYS 11 13.365 11.582 -4.372 120 2HB LYS 11 1HB LYS 11 13.179 11.083 -6.052 121 1HG LYS 11 2HG LYS 11 10.873 11.729 -6.087 122 2HG LYS 11 1HG LYS 11 10.833 11.925 -4.335 123 1HD LYS 11 2HD LYS 11 12.840 13.536 -5.839 124 2HD LYS 11 1HD LYS 11 11.148 14.015 -5.981 125 1HE LYS 11 2HE LYS 11 10.949 14.456 -3.672 126 2HE LYS 11 1HE LYS 11 12.371 13.473 -3.272 127 1HZ LYS 11 1HZ LYS 11 12.491 15.888 -4.992 128 2HZ LYS 11 3HZ LYS 11 12.784 15.929 -3.321 129 3HZ LYS 11 2HZ LYS 11 13.796 15.018 -4.337 130 QB LYS 11 QB LYS 11 13.272 11.333 -5.212 131 QG LYS 11 QG LYS 11 10.853 11.827 -5.211 132 QD LYS 11 QD LYS 11 11.994 13.775 -5.910 133 QE LYS 11 QE LYS 11 11.660 13.965 -3.472 134 QZ LYS 11 QZ LYS 11 13.024 15.612 -4.217 135 H THR 12 H THR 12 9.811 9.997 -4.073 136 HA THR 12 HA THR 12 10.084 10.641 -1.240 137 HB THR 12 HB THR 12 7.518 10.314 -1.445 138 HG1 THR 12 1HG THR 12 7.050 9.254 -3.191 139 1HG2 THR 12 3HG2 THR 12 8.990 12.457 -1.782 140 2HG2 THR 12 2HG2 THR 12 8.587 12.242 -3.485 141 3HG2 THR 12 1HG2 THR 12 7.303 12.476 -2.298 142 QG2 THR 12 QG2 THR 12 8.293 12.392 -2.521 143 H LEU 13 H LEU 13 10.300 9.158 0.380 144 HA LEU 13 HA LEU 13 10.303 7.101 1.537 145 1HB LEU 13 2HB LEU 13 7.794 7.301 -0.012 146 2HB LEU 13 1HB LEU 13 8.226 5.657 0.458 147 HG LEU 13 HG LEU 13 8.077 8.010 2.364 148 1HD1 LEU 13 2HD1 LEU 13 6.132 5.829 1.608 149 2HD1 LEU 13 1HD1 LEU 13 6.092 6.551 3.219 150 3HD1 LEU 13 3HD1 LEU 13 5.836 7.561 1.794 151 1HD2 LEU 13 1HD2 LEU 13 8.844 5.122 2.594 152 2HD2 LEU 13 3HD2 LEU 13 9.524 6.529 3.412 153 3HD2 LEU 13 2HD2 LEU 13 7.979 5.864 3.941 154 QB LEU 13 QB LEU 13 8.010 6.479 0.223 155 QD1 LEU 13 QD1 LEU 13 6.020 6.647 2.207 156 QD2 LEU 13 QD2 LEU 13 8.782 5.838 3.316 157 QQD LEU 13 QQD LEU 13 7.401 6.243 2.761 158 H LYS 14 H LYS 14 10.498 4.662 1.166 159 HA LYS 14 HA LYS 14 10.929 3.509 -1.395 160 1HB LYS 14 2HB LYS 14 13.468 3.448 -1.284 161 2HB LYS 14 1HB LYS 14 12.794 5.041 -1.606 162 1HG LYS 14 2HG LYS 14 13.573 5.893 0.346 163 2HG LYS 14 1HG LYS 14 13.087 4.468 1.264 164 1HD LYS 14 2HD LYS 14 15.488 4.571 1.358 165 2HD LYS 14 1HD LYS 14 15.079 3.266 0.245 166 1HE LYS 14 2HE LYS 14 15.307 4.951 -1.652 167 2HE LYS 14 1HE LYS 14 16.007 6.065 -0.461 168 1HZ LYS 14 3HZ LYS 14 16.955 3.293 -0.962 169 2HZ LYS 14 2HZ LYS 14 17.712 4.696 -1.549 170 3HZ LYS 14 1HZ LYS 14 17.637 4.404 0.123 171 QB LYS 14 QB LYS 14 13.131 4.244 -1.445 172 QG LYS 14 QG LYS 14 13.330 5.181 0.805 173 QD LYS 14 QD LYS 14 15.283 3.918 0.801 174 QE LYS 14 QE LYS 14 15.657 5.508 -1.056 175 QZ LYS 14 QZ LYS 14 17.434 4.131 -0.796 176 H GLY 15 H GLY 15 9.853 1.769 -0.281 177 1HA GLY 15 2HA GLY 15 11.582 -0.165 0.933 178 2HA GLY 15 1HA GLY 15 10.656 0.646 2.194 179 QA GLY 15 QA GLY 15 11.119 0.240 1.564 180 H GLU 16 H GLU 16 9.822 -1.633 2.451 181 HA GLU 16 HA GLU 16 7.726 -2.369 0.444 182 1HB GLU 16 2HB GLU 16 9.646 -3.892 1.288 183 2HB GLU 16 1HB GLU 16 8.725 -3.988 2.789 184 1HG GLU 16 2HG GLU 16 6.872 -5.000 1.719 185 2HG GLU 16 1HG GLU 16 7.456 -4.566 0.112 186 QB GLU 16 QB GLU 16 9.185 -3.940 2.039 187 QG GLU 16 QG GLU 16 7.164 -4.783 0.915 188 H ILE 17 H ILE 17 8.226 -1.876 3.950 189 HA ILE 17 HA ILE 17 6.678 -1.450 5.687 190 HB ILE 17 HB ILE 17 5.145 -0.338 3.310 191 1HG1 ILE 17 2HG1 ILE 17 7.041 1.088 5.200 192 2HG1 ILE 17 1HG1 ILE 17 7.524 0.485 3.613 193 1HG2 ILE 17 3HG2 ILE 17 3.981 -0.657 5.613 194 2HG2 ILE 17 2HG2 ILE 17 5.034 0.650 6.156 195 3HG2 ILE 17 1HG2 ILE 17 3.885 0.929 4.848 196 1HD1 ILE 17 3HD1 ILE 17 5.091 2.226 3.828 197 2HD1 ILE 17 2HD1 ILE 17 6.687 2.975 3.881 198 3HD1 ILE 17 1HD1 ILE 17 6.204 2.026 2.474 199 QG1 ILE 17 QG1 ILE 17 7.283 0.787 4.407 200 QG2 ILE 17 QG2 ILE 17 4.300 0.307 5.539 201 QD1 ILE 17 QD1 ILE 17 5.994 2.409 3.394 202 H THR 18 H THR 18 6.247 -3.760 5.994 203 HA THR 18 HA THR 18 3.986 -5.013 4.589 204 HB THR 18 HB THR 18 4.604 -6.922 6.037 205 HG1 THR 18 1HG THR 18 5.777 -6.637 7.769 206 1HG2 THR 18 2HG2 THR 18 6.477 -5.476 4.321 207 2HG2 THR 18 1HG2 THR 18 7.300 -6.481 5.514 208 3HG2 THR 18 3HG2 THR 18 6.136 -7.204 4.405 209 QG2 THR 18 QG2 THR 18 6.638 -6.387 4.746 210 H ILE 19 H ILE 19 1.889 -4.842 5.277 211 HA ILE 19 HA ILE 19 1.381 -4.312 8.183 212 HB ILE 19 HB ILE 19 -0.314 -2.647 7.528 213 1HG1 ILE 19 2HG1 ILE 19 0.011 -1.934 4.968 214 2HG1 ILE 19 1HG1 ILE 19 0.387 -3.648 4.799 215 1HG2 ILE 19 2HG2 ILE 19 2.161 -2.063 7.813 216 2HG2 ILE 19 1HG2 ILE 19 2.248 -2.017 6.052 217 3HG2 ILE 19 3HG2 ILE 19 1.185 -0.902 6.912 218 1HD1 ILE 19 3HD1 ILE 19 -1.855 -3.716 6.396 219 2HD1 ILE 19 2HD1 ILE 19 -2.193 -2.339 5.351 220 3HD1 ILE 19 1HD1 ILE 19 -1.863 -3.920 4.644 221 QG1 ILE 19 QG1 ILE 19 0.199 -2.791 4.883 222 QG2 ILE 19 QG2 ILE 19 1.864 -1.660 6.926 223 QD1 ILE 19 QD1 ILE 19 -1.970 -3.325 5.464 224 H GLU 20 H GLU 20 -0.453 -5.340 9.017 225 HA GLU 20 HA GLU 20 -1.565 -7.546 7.425 226 1HB GLU 20 2HB GLU 20 -1.650 -6.544 10.255 227 2HB GLU 20 1HB GLU 20 -2.855 -7.722 9.733 228 1HG GLU 20 2HG GLU 20 -0.815 -9.039 8.785 229 2HG GLU 20 1HG GLU 20 0.138 -8.024 9.869 230 QB GLU 20 QB GLU 20 -2.252 -7.133 9.994 231 QG GLU 20 QG GLU 20 -0.339 -8.532 9.327 232 H ALA 21 H ALA 21 -3.828 -7.790 6.954 233 HA ALA 21 HA ALA 21 -5.774 -5.705 7.562 234 1HB ALA 21 1HB ALA 21 -4.181 -4.761 5.790 235 2HB ALA 21 3HB ALA 21 -4.853 -5.965 4.689 236 3HB ALA 21 2HB ALA 21 -5.896 -4.721 5.380 237 QB ALA 21 QB ALA 21 -4.977 -5.149 5.286 238 H VAL 22 H VAL 22 -7.910 -6.299 6.759 239 HA VAL 22 HA VAL 22 -8.564 -9.027 6.731 240 HB VAL 22 HB VAL 22 -10.126 -7.163 7.125 241 1HG1 VAL 22 1HG1 VAL 22 -9.050 -5.801 5.186 242 2HG1 VAL 22 3HG1 VAL 22 -10.186 -6.666 4.151 243 3HG1 VAL 22 2HG1 VAL 22 -10.787 -5.640 5.453 244 1HG2 VAL 22 3HG2 VAL 22 -10.868 -9.460 6.196 245 2HG2 VAL 22 2HG2 VAL 22 -12.022 -8.130 6.082 246 3HG2 VAL 22 1HG2 VAL 22 -11.096 -8.619 4.663 247 QG1 VAL 22 QG1 VAL 22 -10.008 -6.036 4.930 248 QG2 VAL 22 QG2 VAL 22 -11.329 -8.736 5.647 249 QQG VAL 22 QQG VAL 22 -10.668 -7.386 5.288 250 H ASP 23 H ASP 23 -7.869 -6.879 3.996 251 HA ASP 23 HA ASP 23 -7.160 -9.165 2.285 252 1HB ASP 23 2HB ASP 23 -9.742 -7.716 2.187 253 2HB ASP 23 1HB ASP 23 -8.940 -7.896 0.627 254 QB ASP 23 QB ASP 23 -9.341 -7.806 1.407 255 H ALA 24 H ALA 24 -6.665 -8.109 -0.052 256 HA ALA 24 HA ALA 24 -4.640 -6.126 0.346 257 1HB ALA 24 3HB ALA 24 -5.280 -7.885 -1.601 258 2HB ALA 24 2HB ALA 24 -5.924 -6.410 -2.325 259 3HB ALA 24 1HB ALA 24 -4.219 -6.503 -1.879 260 QB ALA 24 QB ALA 24 -5.141 -6.932 -1.935 261 H ALA 25 H ALA 25 -8.072 -5.894 -0.366 262 HA ALA 25 HA ALA 25 -8.271 -3.285 -1.414 263 1HB ALA 25 1HB ALA 25 -9.960 -5.202 0.095 264 2HB ALA 25 3HB ALA 25 -10.499 -3.524 0.130 265 3HB ALA 25 2HB ALA 25 -10.303 -4.354 -1.414 266 QB ALA 25 QB ALA 25 -10.254 -4.360 -0.396 267 H GLU 26 H GLU 26 -8.538 -4.288 2.015 268 HA GLU 26 HA GLU 26 -8.559 -1.637 3.119 269 1HB GLU 26 2HB GLU 26 -8.218 -4.449 3.998 270 2HB GLU 26 1HB GLU 26 -7.492 -3.249 5.069 271 1HG GLU 26 2HG GLU 26 -9.880 -2.057 4.592 272 2HG GLU 26 1HG GLU 26 -10.353 -3.750 4.453 273 QB GLU 26 QB GLU 26 -7.855 -3.849 4.534 274 QG GLU 26 QG GLU 26 -10.117 -2.903 4.523 275 H ALA 27 H ALA 27 -5.919 -3.970 2.528 276 HA ALA 27 HA ALA 27 -3.732 -2.587 3.657 277 1HB ALA 27 3HB ALA 27 -4.208 -4.541 1.465 278 2HB ALA 27 2HB ALA 27 -2.651 -3.711 1.429 279 3HB ALA 27 1HB ALA 27 -3.119 -4.653 2.848 280 QB ALA 27 QB ALA 27 -3.326 -4.302 1.914 281 H GLU 28 H GLU 28 -5.116 -2.273 0.370 282 HA GLU 28 HA GLU 28 -3.323 -0.278 -0.608 283 1HB GLU 28 2HB GLU 28 -5.197 -1.739 -1.735 284 2HB GLU 28 1HB GLU 28 -6.248 -0.384 -1.324 285 1HG GLU 28 2HG GLU 28 -4.432 1.096 -2.442 286 2HG GLU 28 1HG GLU 28 -3.847 -0.407 -3.161 287 QB GLU 28 QB GLU 28 -5.722 -1.061 -1.530 288 QG GLU 28 QG GLU 28 -4.140 0.344 -2.802 289 H LYS 29 H LYS 29 -6.338 -0.030 1.281 290 HA LYS 29 HA LYS 29 -6.575 2.844 1.223 291 1HB LYS 29 2HB LYS 29 -7.403 0.796 3.315 292 2HB LYS 29 1HB LYS 29 -8.029 2.439 3.198 293 1HG LYS 29 2HG LYS 29 -8.239 0.418 0.954 294 2HG LYS 29 1HG LYS 29 -9.507 0.676 2.149 295 1HD LYS 29 2HD LYS 29 -8.366 2.819 0.335 296 2HD LYS 29 1HD LYS 29 -9.897 1.983 0.078 297 1HE LYS 29 2HE LYS 29 -10.257 2.814 2.640 298 2HE LYS 29 1HE LYS 29 -9.227 4.123 2.025 299 1HZ LYS 29 1HZ LYS 29 -10.694 4.207 0.047 300 2HZ LYS 29 3HZ LYS 29 -11.737 3.104 0.803 301 3HZ LYS 29 2HZ LYS 29 -11.487 4.639 1.485 302 QB LYS 29 QB LYS 29 -7.716 1.618 3.257 303 QG LYS 29 QG LYS 29 -8.873 0.547 1.551 304 QD LYS 29 QD LYS 29 -9.131 2.401 0.207 305 QE LYS 29 QE LYS 29 -9.742 3.468 2.333 306 QZ LYS 29 QZ LYS 29 -11.306 3.983 0.778 307 H ILE 30 H ILE 30 -5.332 0.665 3.769 308 HA ILE 30 HA ILE 30 -4.231 2.596 5.519 309 HB ILE 30 HB ILE 30 -3.351 -0.231 4.803 310 1HG1 ILE 30 2HG1 ILE 30 -4.918 0.578 7.240 311 2HG1 ILE 30 1HG1 ILE 30 -5.751 0.372 5.699 312 1HG2 ILE 30 3HG2 ILE 30 -2.390 1.719 6.835 313 2HG2 ILE 30 2HG2 ILE 30 -2.666 0.075 7.413 314 3HG2 ILE 30 1HG2 ILE 30 -1.542 0.368 6.085 315 1HD1 ILE 30 1HD1 ILE 30 -3.939 -1.842 6.128 316 2HD1 ILE 30 3HD1 ILE 30 -4.999 -1.655 7.526 317 3HD1 ILE 30 2HD1 ILE 30 -5.690 -1.869 5.918 318 QG1 ILE 30 QG1 ILE 30 -5.334 0.475 6.470 319 QG2 ILE 30 QG2 ILE 30 -2.200 0.721 6.778 320 QD1 ILE 30 QD1 ILE 30 -4.876 -1.789 6.524 321 H PHE 31 H PHE 31 -2.790 0.960 2.712 322 HA PHE 31 HA PHE 31 -0.189 2.214 2.930 323 1HB PHE 31 2HB PHE 31 -1.763 0.646 0.903 324 2HB PHE 31 1HB PHE 31 -0.271 1.435 0.393 325 HD1 PHE 31 1HD PHE 31 1.528 1.198 2.626 326 HD2 PHE 31 2HD PHE 31 -1.379 -1.624 1.202 327 HE1 PHE 31 1HE PHE 31 2.843 -0.654 3.623 328 HE2 PHE 31 2HE PHE 31 -0.063 -3.477 2.199 329 1HZ PHE 31 HZ PHE 31 2.047 -2.993 3.407 330 QB PHE 31 QB PHE 31 -1.017 1.041 0.648 331 QG PHE 31 QD PHE 31 0.074 -0.213 1.914 332 QZ PHE 31 QE PHE 31 1.390 -2.066 2.911 333 QZ PHE 31 QR PHE 31 0.995 -1.510 2.611 334 H LYS 32 H LYS 32 -3.172 2.955 1.160 335 HA LYS 32 HA LYS 32 -2.062 5.203 -0.278 336 1HB LYS 32 2HB LYS 32 -4.811 4.077 0.208 337 2HB LYS 32 1HB LYS 32 -4.581 5.567 -0.701 338 1HG LYS 32 2HG LYS 32 -2.737 3.495 -1.607 339 2HG LYS 32 1HG LYS 32 -4.412 2.955 -1.716 340 1HD LYS 32 2HD LYS 32 -4.726 5.425 -2.720 341 2HD LYS 32 1HD LYS 32 -3.042 5.164 -3.172 342 1HE LYS 32 2HE LYS 32 -3.557 3.412 -4.611 343 2HE LYS 32 1HE LYS 32 -5.022 2.972 -3.712 344 1HZ LYS 32 3HZ LYS 32 -4.662 5.501 -5.232 345 2HZ LYS 32 2HZ LYS 32 -5.528 4.153 -5.797 346 3HZ LYS 32 1HZ LYS 32 -6.070 5.002 -4.429 347 QB LYS 32 QB LYS 32 -4.696 4.822 -0.247 348 QG LYS 32 QG LYS 32 -3.575 3.225 -1.661 349 QD LYS 32 QD LYS 32 -3.884 5.295 -2.946 350 QE LYS 32 QE LYS 32 -4.290 3.192 -4.161 351 QZ LYS 32 QZ LYS 32 -5.420 4.885 -5.153 352 H GLN 33 H GLN 33 -2.694 4.905 2.991 353 HA GLN 33 HA GLN 33 -3.627 7.766 3.247 354 1HB GLN 33 2HB GLN 33 -4.819 5.817 4.430 355 2HB GLN 33 1HB GLN 33 -3.342 5.606 5.372 356 1HG GLN 33 2HG GLN 33 -3.702 8.265 5.696 357 2HG GLN 33 1HG GLN 33 -5.382 7.765 5.506 358 1HE2 GLN 33 2HE2 GLN 33 -4.852 5.375 8.381 359 2HE2 GLN 33 1HE2 GLN 33 -5.158 5.150 6.727 360 QB GLN 33 QB GLN 33 -4.080 5.712 4.901 361 QG GLN 33 QG GLN 33 -4.542 8.015 5.601 362 QE2 GLN 33 QE2 GLN 33 -5.005 5.263 7.554 363 H TYR 34 H TYR 34 -1.418 5.307 4.313 364 HA TYR 34 HA TYR 34 0.593 6.548 5.771 365 1HB TYR 34 2HB TYR 34 0.059 4.159 4.731 366 2HB TYR 34 1HB TYR 34 1.135 4.713 3.457 367 HD1 TYR 34 1HD TYR 34 3.494 5.254 3.902 368 HD2 TYR 34 2HD TYR 34 0.933 3.685 6.973 369 HE1 TYR 34 1HE TYR 34 5.483 4.729 5.291 370 HE2 TYR 34 2HE TYR 34 2.919 3.159 8.362 371 HH TYR 34 HH TYR 34 5.700 2.715 7.497 372 QB TYR 34 QB TYR 34 0.597 4.436 4.094 373 QG TYR 34 QD TYR 34 2.213 4.469 5.438 374 QZ TYR 34 QE TYR 34 4.201 3.944 6.826 375 QR TYR 34 QR TYR 34 3.207 4.207 6.132 376 H ALA 35 H ALA 35 0.399 6.216 2.234 377 HA ALA 35 HA ALA 35 2.726 7.714 1.513 378 1HB ALA 35 2HB ALA 35 0.152 6.845 0.218 379 2HB ALA 35 1HB ALA 35 1.231 7.937 -0.654 380 3HB ALA 35 3HB ALA 35 1.807 6.349 -0.143 381 QB ALA 35 QB ALA 35 1.063 7.044 -0.193 382 H ASN 36 H ASN 36 -0.718 8.727 1.463 383 HA ASN 36 HA ASN 36 -0.359 11.441 0.758 384 1HB ASN 36 2HB ASN 36 -2.372 9.868 2.332 385 2HB ASN 36 1HB ASN 36 -2.552 11.616 2.182 386 1HD2 ASN 36 2HD2 ASN 36 -3.055 9.258 -1.138 387 2HD2 ASN 36 1HD2 ASN 36 -2.296 8.617 0.237 388 QB ASN 36 QB ASN 36 -2.462 10.742 2.257 389 QD2 ASN 36 QD2 ASN 36 -2.675 8.938 -0.450 390 H ASP 37 H ASP 37 -0.497 10.000 4.023 391 HA ASP 37 HA ASP 37 -0.173 12.415 5.502 392 1HB ASP 37 2HB ASP 37 0.649 9.560 6.104 393 2HB ASP 37 1HB ASP 37 0.509 10.839 7.312 394 QB ASP 37 QB ASP 37 0.579 10.200 6.708 395 H ASN 38 H ASN 38 2.114 10.668 3.611 396 HA ASN 38 HA ASN 38 4.382 12.018 4.937 397 1HB ASN 38 2HB ASN 38 4.396 9.551 4.768 398 2HB ASN 38 1HB ASN 38 4.270 9.683 3.015 399 1HD2 ASN 38 2HD2 ASN 38 7.883 10.027 4.764 400 2HD2 ASN 38 1HD2 ASN 38 6.493 9.573 5.627 401 QB ASN 38 QB ASN 38 4.333 9.617 3.891 402 QD2 ASN 38 QD2 ASN 38 7.188 9.800 5.196 403 H GLY 39 H GLY 39 2.644 11.720 1.899 404 1HA GLY 39 2HA GLY 39 2.722 13.711 0.395 405 2HA GLY 39 1HA GLY 39 4.450 13.804 0.731 406 QA GLY 39 QA GLY 39 3.586 13.757 0.563 407 H ILE 40 H ILE 40 2.791 10.757 0.166 408 HA ILE 40 HA ILE 40 4.464 10.354 -2.271 409 HB ILE 40 HB ILE 40 3.271 8.717 -0.084 410 1HG1 ILE 40 2HG1 ILE 40 5.517 7.612 -0.287 411 2HG1 ILE 40 1HG1 ILE 40 5.896 8.777 -1.558 412 1HG2 ILE 40 3HG2 ILE 40 2.416 7.649 -2.219 413 2HG2 ILE 40 2HG2 ILE 40 4.104 7.399 -2.668 414 3HG2 ILE 40 1HG2 ILE 40 3.449 6.627 -1.221 415 1HD1 ILE 40 3HD1 ILE 40 4.877 9.659 1.130 416 2HD1 ILE 40 2HD1 ILE 40 6.601 9.388 0.843 417 3HD1 ILE 40 1HD1 ILE 40 5.728 10.611 -0.091 418 QG1 ILE 40 QG1 ILE 40 5.707 8.194 -0.923 419 QG2 ILE 40 QG2 ILE 40 3.323 7.225 -2.036 420 QD1 ILE 40 QD1 ILE 40 5.736 9.886 0.627 421 H ASP 41 H ASP 41 3.394 10.871 -4.103 422 HA ASP 41 HA ASP 41 0.670 9.775 -4.563 423 1HB ASP 41 2HB ASP 41 0.883 12.234 -3.498 424 2HB ASP 41 1HB ASP 41 1.058 12.661 -5.200 425 QB ASP 41 QB ASP 41 0.971 12.448 -4.349 426 H GLY 42 H GLY 42 1.117 8.656 -6.432 427 1HA GLY 42 2HA GLY 42 1.812 10.161 -8.837 428 2HA GLY 42 1HA GLY 42 3.040 8.991 -8.367 429 QA GLY 42 QA GLY 42 2.426 9.576 -8.602 430 H GLU 43 H GLU 43 2.602 6.764 -8.623 431 HA GLU 43 HA GLU 43 -0.017 6.103 -9.954 432 1HB GLU 43 2HB GLU 43 2.361 6.245 -11.186 433 2HB GLU 43 1HB GLU 43 2.476 4.593 -10.576 434 1HG GLU 43 2HG GLU 43 -0.013 4.464 -11.543 435 2HG GLU 43 1HG GLU 43 0.600 5.741 -12.595 436 QB GLU 43 QB GLU 43 2.419 5.419 -10.881 437 QG GLU 43 QG GLU 43 0.294 5.103 -12.069 438 H TRP 44 H TRP 44 -1.152 4.595 -8.806 439 HA TRP 44 HA TRP 44 0.271 2.794 -6.862 440 1HB TRP 44 2HB TRP 44 -2.490 3.957 -7.197 441 2HB TRP 44 1HB TRP 44 -2.282 2.478 -6.253 442 HD1 TRP 44 HD TRP 44 -1.286 6.176 -6.279 443 HE1 TRP 44 1HE TRP 44 -0.469 6.802 -3.913 444 HE3 TRP 44 3HE TRP 44 -1.313 1.564 -4.120 445 HZ2 TRP 44 2HZ TRP 44 0.106 5.499 -1.425 446 HZ3 TRP 44 3HZ TRP 44 -0.626 1.280 -1.751 447 HH2 TRP 44 HH TRP 44 0.090 3.237 -0.411 448 QB TRP 44 QB TRP 44 -2.386 3.218 -6.725 449 H THR 45 H THR 45 0.249 0.596 -7.181 450 HA THR 45 HA THR 45 -1.660 -0.607 -9.121 451 HB THR 45 HB THR 45 0.067 -1.580 -10.460 452 HG1 THR 45 1HG THR 45 2.252 -1.380 -9.868 453 1HG2 THR 45 2HG2 THR 45 -0.335 0.830 -10.909 454 2HG2 THR 45 1HG2 THR 45 0.994 1.226 -9.815 455 3HG2 THR 45 3HG2 THR 45 1.312 0.339 -11.308 456 QG2 THR 45 QG2 THR 45 0.657 0.799 -10.677 457 H TYR 46 H TYR 46 -2.341 -2.546 -8.330 458 HA TYR 46 HA TYR 46 -0.985 -3.629 -5.917 459 1HB TYR 46 2HB TYR 46 -3.360 -3.223 -5.754 460 2HB TYR 46 1HB TYR 46 -3.668 -4.110 -7.249 461 HD1 TYR 46 1HD TYR 46 -1.777 -4.729 -4.062 462 HD2 TYR 46 2HD TYR 46 -4.595 -6.228 -6.935 463 HE1 TYR 46 1HE TYR 46 -1.956 -6.843 -2.782 464 HE2 TYR 46 2HE TYR 46 -4.774 -8.344 -5.652 465 HH TYR 46 HH TYR 46 -4.405 -9.153 -3.384 466 QB TYR 46 QB TYR 46 -3.514 -3.666 -6.502 467 QG TYR 46 QD TYR 46 -3.186 -5.479 -5.498 468 QZ TYR 46 QE TYR 46 -3.365 -7.594 -4.217 469 QR TYR 46 QR TYR 46 -3.275 -6.536 -4.858 470 H ASP 47 H ASP 47 -0.101 -5.716 -5.880 471 HA ASP 47 HA ASP 47 0.102 -7.118 -8.524 472 1HB ASP 47 2HB ASP 47 1.960 -7.061 -6.119 473 2HB ASP 47 1HB ASP 47 2.262 -7.947 -7.613 474 QB ASP 47 QB ASP 47 2.111 -7.504 -6.866 475 H ASP 48 H ASP 48 -1.570 -8.620 -8.364 476 HA ASP 48 HA ASP 48 -2.280 -10.014 -5.931 477 1HB ASP 48 2HB ASP 48 -3.700 -11.319 -7.501 478 2HB ASP 48 1HB ASP 48 -3.831 -9.585 -7.783 479 QB ASP 48 QB ASP 48 -3.766 -10.452 -7.642 480 H ALA 49 H ALA 49 0.432 -10.411 -7.896 481 HA ALA 49 HA ALA 49 0.597 -13.346 -7.673 482 1HB ALA 49 2HB ALA 49 1.357 -11.831 -9.628 483 2HB ALA 49 1HB ALA 49 2.721 -11.401 -8.595 484 3HB ALA 49 3HB ALA 49 2.487 -13.076 -9.096 485 QB ALA 49 QB ALA 49 2.188 -12.103 -9.106 486 H THR 50 H THR 50 1.799 -10.440 -6.097 487 HA THR 50 HA THR 50 3.238 -12.172 -4.117 488 HB THR 50 HB THR 50 4.945 -10.356 -4.044 489 HG1 THR 50 1HG THR 50 3.497 -9.338 -6.258 490 1HG2 THR 50 3HG2 THR 50 4.920 -12.364 -5.712 491 2HG2 THR 50 2HG2 THR 50 4.588 -11.128 -6.925 492 3HG2 THR 50 1HG2 THR 50 6.071 -11.053 -5.974 493 QG2 THR 50 QG2 THR 50 5.193 -11.515 -6.204 494 H LYS 51 H LYS 51 0.588 -10.315 -4.488 495 HA LYS 51 HA LYS 51 -0.738 -9.001 -3.048 496 1HB LYS 51 2HB LYS 51 1.070 -10.449 -1.081 497 2HB LYS 51 1HB LYS 51 -0.411 -9.602 -0.635 498 1HG LYS 51 2HG LYS 51 -0.680 -11.546 -2.857 499 2HG LYS 51 1HG LYS 51 -0.331 -12.245 -1.277 500 1HD LYS 51 2HD LYS 51 -2.224 -10.642 -0.436 501 2HD LYS 51 1HD LYS 51 -2.705 -10.609 -2.132 502 1HE LYS 51 2HE LYS 51 -2.438 -13.259 -1.889 503 2HE LYS 51 1HE LYS 51 -2.784 -12.882 -0.190 504 1HZ LYS 51 1HZ LYS 51 -4.370 -11.876 -2.494 505 2HZ LYS 51 3HZ LYS 51 -4.818 -13.201 -1.535 506 3HZ LYS 51 2HZ LYS 51 -4.719 -11.650 -0.847 507 QB LYS 51 QB LYS 51 0.329 -10.025 -0.858 508 QG LYS 51 QG LYS 51 -0.505 -11.895 -2.067 509 QD LYS 51 QD LYS 51 -2.464 -10.626 -1.284 510 QE LYS 51 QE LYS 51 -2.611 -13.071 -1.040 511 QZ LYS 51 QZ LYS 51 -4.636 -12.242 -1.625 512 H THR 52 H THR 52 1.500 -7.651 -4.194 513 HA THR 52 HA THR 52 2.212 -5.757 -1.966 514 HB THR 52 HB THR 52 3.931 -6.387 -4.374 515 HG1 THR 52 1HG THR 52 5.019 -7.830 -2.931 516 1HG2 THR 52 3HG2 THR 52 4.538 -5.315 -1.603 517 2HG2 THR 52 2HG2 THR 52 5.720 -5.568 -2.888 518 3HG2 THR 52 1HG2 THR 52 4.454 -4.355 -3.081 519 QG2 THR 52 QG2 THR 52 4.904 -5.079 -2.524 520 H PHE 53 H PHE 53 1.927 -3.572 -2.455 521 HA PHE 53 HA PHE 53 0.602 -2.951 -5.032 522 1HB PHE 53 2HB PHE 53 1.016 -1.469 -2.424 523 2HB PHE 53 1HB PHE 53 0.162 -0.774 -3.803 524 HD1 PHE 53 2HD PHE 53 0.153 -3.648 -1.416 525 HD2 PHE 53 1HD PHE 53 -2.115 -1.343 -4.255 526 HE1 PHE 53 2HE PHE 53 -1.925 -4.835 -0.729 527 HE2 PHE 53 1HE PHE 53 -4.174 -2.532 -3.567 528 1HZ PHE 53 HZ PHE 53 -4.080 -4.275 -1.810 529 QB PHE 53 QB PHE 53 0.589 -1.122 -3.114 530 QG PHE 53 QD PHE 53 -0.981 -2.495 -2.835 531 QZ PHE 53 QE PHE 53 -3.050 -3.684 -2.148 532 QZ PHE 53 QR PHE 53 -2.428 -3.326 -2.355 533 H THR 54 H THR 54 1.333 -0.315 -5.544 534 HA THR 54 HA THR 54 4.255 -0.013 -5.394 535 HB THR 54 HB THR 54 3.185 -0.015 -8.177 536 HG1 THR 54 1HG THR 54 2.364 -1.944 -7.789 537 1HG2 THR 54 2HG2 THR 54 5.622 0.344 -7.182 538 2HG2 THR 54 1HG2 THR 54 5.664 -1.416 -7.279 539 3HG2 THR 54 3HG2 THR 54 5.378 -0.458 -8.733 540 QG2 THR 54 QG2 THR 54 5.555 -0.510 -7.731 541 H VAL 55 H VAL 55 3.899 2.015 -4.541 542 HA VAL 55 HA VAL 55 2.099 3.856 -6.029 543 HB VAL 55 HB VAL 55 1.569 3.631 -3.710 544 1HG1 VAL 55 3HG1 VAL 55 4.511 4.113 -3.204 545 2HG1 VAL 55 2HG1 VAL 55 3.283 4.236 -1.945 546 3HG1 VAL 55 1HG1 VAL 55 3.543 2.699 -2.771 547 1HG2 VAL 55 3HG2 VAL 55 1.585 5.957 -4.683 548 2HG2 VAL 55 2HG2 VAL 55 1.745 5.905 -2.926 549 3HG2 VAL 55 1HG2 VAL 55 3.164 6.193 -3.936 550 QG1 VAL 55 QG1 VAL 55 3.779 3.683 -2.640 551 QG2 VAL 55 QG2 VAL 55 2.165 6.018 -3.848 552 QQG VAL 55 QQG VAL 55 2.972 4.850 -3.244 553 H THR 56 H THR 56 3.130 4.928 -7.588 554 HA THR 56 HA THR 56 5.951 5.752 -7.310 555 HB THR 56 HB THR 56 3.850 5.442 -9.405 556 HG1 THR 56 1HG THR 56 5.355 4.222 -10.217 557 1HG2 THR 56 1HG2 THR 56 4.425 7.827 -9.711 558 2HG2 THR 56 3HG2 THR 56 6.135 7.399 -9.804 559 3HG2 THR 56 2HG2 THR 56 5.017 6.844 -11.051 560 QG2 THR 56 QG2 THR 56 5.192 7.357 -10.189 561 H GLU 57 H GLU 57 6.325 8.185 -7.994 562 HA GLU 57 HA GLU 57 4.219 9.921 -6.748 563 1HB GLU 57 2HB GLU 57 6.109 9.440 -5.216 564 2HB GLU 57 1HB GLU 57 7.241 10.040 -6.428 565 1HG GLU 57 2HG GLU 57 5.018 11.879 -5.735 566 2HG GLU 57 1HG GLU 57 6.201 11.597 -4.458 567 QB GLU 57 QB GLU 57 6.675 9.740 -5.822 568 QG GLU 57 QG GLU 57 5.610 11.738 -5.096 No H/Q in entry = 568 Start of MODEL 21 1 1H MET 1 3HT MET 1 -4.058 -13.807 8.075 2 2H MET 1 2HT MET 1 -3.306 -14.281 9.523 3 3H MET 1 1HT MET 1 -3.384 -12.638 9.101 4 HA MET 1 HA MET 1 -1.174 -13.350 8.630 5 1HB MET 1 2HB MET 1 -2.442 -15.779 8.441 6 2HB MET 1 1HB MET 1 -2.051 -15.461 6.751 7 1HG MET 1 2HG MET 1 -0.094 -16.498 7.461 8 2HG MET 1 1HG MET 1 0.309 -14.805 7.745 9 1HE MET 1 2HE MET 1 -1.131 -17.897 8.802 10 2HE MET 1 1HE MET 1 -0.257 -18.311 10.274 11 3HE MET 1 3HE MET 1 -1.841 -17.529 10.372 12 QB MET 1 QB MET 1 -2.247 -15.620 7.596 13 QG MET 1 QG MET 1 0.107 -15.652 7.603 14 QE MET 1 QE MET 1 -1.076 -17.912 9.816 15 H THR 2 H THR 2 -3.086 -11.489 7.494 16 HA THR 2 HA THR 2 -2.547 -11.652 4.558 17 HB THR 2 HB THR 2 -4.424 -9.909 6.191 18 HG1 THR 2 1HG THR 2 -5.211 -11.922 6.317 19 1HG2 THR 2 1HG2 THR 2 -3.802 -10.172 3.281 20 2HG2 THR 2 3HG2 THR 2 -5.480 -9.893 3.743 21 3HG2 THR 2 2HG2 THR 2 -4.233 -8.736 4.209 22 QG2 THR 2 QG2 THR 2 -4.505 -9.600 3.745 23 H THR 3 H THR 3 -0.254 -11.004 5.869 24 HA THR 3 HA THR 3 0.069 -8.169 6.414 25 HB THR 3 HB THR 3 2.209 -10.166 5.649 26 HG1 THR 3 1HG THR 3 1.923 -11.151 7.498 27 1HG2 THR 3 2HG2 THR 3 2.435 -7.551 6.284 28 2HG2 THR 3 1HG2 THR 3 2.462 -8.249 7.904 29 3HG2 THR 3 3HG2 THR 3 3.660 -8.748 6.709 30 QG2 THR 3 QG2 THR 3 2.852 -8.183 6.966 31 H PHE 4 H PHE 4 -0.769 -7.121 4.497 32 HA PHE 4 HA PHE 4 0.319 -7.692 1.848 33 1HB PHE 4 2HB PHE 4 -1.567 -5.790 3.159 34 2HB PHE 4 1HB PHE 4 -0.873 -5.283 1.619 35 HD1 PHE 4 1HD PHE 4 -0.867 -7.116 -0.274 36 HD2 PHE 4 2HD PHE 4 -3.470 -7.153 3.138 37 HE1 PHE 4 1HE PHE 4 -2.427 -8.610 -1.484 38 HE2 PHE 4 2HE PHE 4 -5.035 -8.645 1.925 39 1HZ PHE 4 HZ PHE 4 -4.514 -9.377 -0.386 40 QB PHE 4 QB PHE 4 -1.220 -5.537 2.389 41 QG PHE 4 QD PHE 4 -2.168 -7.135 1.432 42 QZ PHE 4 QE PHE 4 -3.731 -8.628 0.220 43 QZ PHE 4 QR PHE 4 -3.263 -8.180 0.584 44 H LYS 5 H LYS 5 1.946 -6.539 0.768 45 HA LYS 5 HA LYS 5 3.607 -4.737 2.476 46 1HB LYS 5 2HB LYS 5 4.189 -6.265 -0.087 47 2HB LYS 5 1HB LYS 5 5.376 -5.348 0.841 48 1HG LYS 5 2HG LYS 5 4.478 -6.881 2.827 49 2HG LYS 5 1HG LYS 5 4.063 -7.955 1.491 50 1HD LYS 5 2HD LYS 5 6.793 -6.714 1.563 51 2HD LYS 5 1HD LYS 5 6.454 -8.099 2.601 52 1HE LYS 5 2HE LYS 5 5.601 -9.318 0.545 53 2HE LYS 5 1HE LYS 5 6.243 -7.976 -0.424 54 1HZ LYS 5 1HZ LYS 5 8.396 -8.293 0.659 55 2HZ LYS 5 3HZ LYS 5 7.781 -9.622 1.516 56 3HZ LYS 5 2HZ LYS 5 7.917 -9.693 -0.176 57 QB LYS 5 QB LYS 5 4.782 -5.807 0.377 58 QG LYS 5 QG LYS 5 4.271 -7.418 2.159 59 QD LYS 5 QD LYS 5 6.624 -7.406 2.082 60 QE LYS 5 QE LYS 5 5.922 -8.647 0.060 61 QZ LYS 5 QZ LYS 5 8.031 -9.203 0.666 62 H LEU 6 H LEU 6 4.937 -3.178 0.800 63 HA LEU 6 HA LEU 6 3.352 -2.106 -1.406 64 1HB LEU 6 2HB LEU 6 2.032 -1.293 0.478 65 2HB LEU 6 1HB LEU 6 3.479 -0.683 1.276 66 HG LEU 6 HG LEU 6 3.649 0.620 -1.124 67 1HD1 LEU 6 3HD1 LEU 6 0.819 -0.159 -0.698 68 2HD1 LEU 6 2HD1 LEU 6 1.111 1.523 -1.147 69 3HD1 LEU 6 1HD1 LEU 6 1.675 0.223 -2.192 70 1HD2 LEU 6 3HD2 LEU 6 3.391 1.313 1.496 71 2HD2 LEU 6 2HD2 LEU 6 3.406 2.480 0.176 72 3HD2 LEU 6 1HD2 LEU 6 1.872 1.933 0.850 73 QB LEU 6 QB LEU 6 2.756 -0.988 0.877 74 QD1 LEU 6 QD1 LEU 6 1.202 0.529 -1.346 75 QD2 LEU 6 QD2 LEU 6 2.890 1.909 0.841 76 QQD LEU 6 QQD LEU 6 2.046 1.219 -0.253 77 H ILE 7 H ILE 7 5.120 -1.816 -2.722 78 HA ILE 7 HA ILE 7 7.646 -0.695 -1.649 79 HB ILE 7 HB ILE 7 6.738 -1.623 -4.402 80 1HG1 ILE 7 2HG1 ILE 7 8.736 -3.040 -2.666 81 2HG1 ILE 7 1HG1 ILE 7 7.015 -3.241 -2.329 82 1HG2 ILE 7 3HG2 ILE 7 8.605 0.036 -4.461 83 2HG2 ILE 7 2HG2 ILE 7 9.536 -1.018 -3.396 84 3HG2 ILE 7 1HG2 ILE 7 9.101 -1.564 -5.016 85 1HD1 ILE 7 2HD1 ILE 7 6.772 -3.753 -4.847 86 2HD1 ILE 7 1HD1 ILE 7 8.524 -3.951 -4.844 87 3HD1 ILE 7 3HD1 ILE 7 7.517 -4.994 -3.839 88 QG1 ILE 7 QG1 ILE 7 7.876 -3.140 -2.498 89 QG2 ILE 7 QG2 ILE 7 9.080 -0.849 -4.291 90 QD1 ILE 7 QD1 ILE 7 7.605 -4.233 -4.510 91 H ILE 8 H ILE 8 7.751 1.547 -1.520 92 HA ILE 8 HA ILE 8 5.881 3.136 -3.137 93 HB ILE 8 HB ILE 8 7.967 3.933 -1.071 94 1HG1 ILE 8 2HG1 ILE 8 5.875 4.498 0.258 95 2HG1 ILE 8 1HG1 ILE 8 4.944 3.661 -0.975 96 1HG2 ILE 8 3HG2 ILE 8 5.913 5.504 -2.644 97 2HG2 ILE 8 2HG2 ILE 8 6.578 6.099 -1.120 98 3HG2 ILE 8 1HG2 ILE 8 7.646 5.825 -2.497 99 1HD1 ILE 8 1HD1 ILE 8 7.248 2.290 0.360 100 2HD1 ILE 8 3HD1 ILE 8 5.668 2.350 1.146 101 3HD1 ILE 8 2HD1 ILE 8 5.838 1.591 -0.438 102 QG1 ILE 8 QG1 ILE 8 5.409 4.079 -0.358 103 QG2 ILE 8 QG2 ILE 8 6.712 5.809 -2.087 104 QD1 ILE 8 QD1 ILE 8 6.251 2.077 0.356 105 H ASN 9 H ASN 9 6.464 3.791 -5.170 106 HA ASN 9 HA ASN 9 9.339 3.828 -5.924 107 1HB ASN 9 2HB ASN 9 7.603 2.607 -7.253 108 2HB ASN 9 1HB ASN 9 6.804 4.148 -7.567 109 1HD2 ASN 9 2HD2 ASN 9 9.071 5.101 -10.101 110 2HD2 ASN 9 1HD2 ASN 9 7.696 5.511 -9.194 111 QB ASN 9 QB ASN 9 7.204 3.377 -7.410 112 QD2 ASN 9 QD2 ASN 9 8.383 5.306 -9.647 113 H GLY 10 H GLY 10 10.308 5.728 -6.816 114 1HA GLY 10 2HA GLY 10 9.897 8.066 -7.693 115 2HA GLY 10 1HA GLY 10 8.783 8.261 -6.340 116 QA GLY 10 QA GLY 10 9.340 8.164 -7.016 117 H LYS 11 H LYS 11 9.703 9.596 -4.865 118 HA LYS 11 HA LYS 11 12.537 9.053 -4.058 119 1HB LYS 11 2HB LYS 11 12.846 11.517 -3.944 120 2HB LYS 11 1HB LYS 11 12.435 10.985 -5.573 121 1HG LYS 11 2HG LYS 11 10.019 11.531 -5.037 122 2HG LYS 11 1HG LYS 11 10.591 12.274 -3.545 123 1HD LYS 11 2HD LYS 11 10.660 14.137 -4.891 124 2HD LYS 11 1HD LYS 11 12.255 13.489 -5.268 125 1HE LYS 11 2HE LYS 11 10.490 12.132 -7.006 126 2HE LYS 11 1HE LYS 11 9.977 13.830 -7.037 127 1HZ LYS 11 2HZ LYS 11 12.783 12.885 -7.314 128 2HZ LYS 11 1HZ LYS 11 11.801 13.409 -8.598 129 3HZ LYS 11 3HZ LYS 11 12.261 14.500 -7.383 130 QB LYS 11 QB LYS 11 12.641 11.251 -4.759 131 QG LYS 11 QG LYS 11 10.305 11.903 -4.291 132 QD LYS 11 QD LYS 11 11.458 13.813 -5.079 133 QE LYS 11 QE LYS 11 10.234 12.981 -7.022 134 QZ LYS 11 QZ LYS 11 12.282 13.598 -7.765 135 H THR 12 H THR 12 9.419 10.558 -3.152 136 HA THR 12 HA THR 12 10.038 11.025 -0.390 137 HB THR 12 HB THR 12 7.301 10.276 -1.391 138 HG1 THR 12 1HG THR 12 7.162 12.112 -2.530 139 1HG2 THR 12 1HG2 THR 12 8.386 12.440 0.431 140 2HG2 THR 12 3HG2 THR 12 6.683 12.225 0.028 141 3HG2 THR 12 2HG2 THR 12 7.538 10.979 0.935 142 QG2 THR 12 QG2 THR 12 7.535 11.882 0.465 143 H LEU 13 H LEU 13 10.987 9.269 0.635 144 HA LEU 13 HA LEU 13 11.104 7.217 1.746 145 1HB LEU 13 2HB LEU 13 9.198 6.937 2.962 146 2HB LEU 13 1HB LEU 13 8.532 8.259 2.017 147 HG LEU 13 HG LEU 13 7.854 6.420 0.325 148 1HD1 LEU 13 3HD1 LEU 13 9.269 4.788 1.986 149 2HD1 LEU 13 2HD1 LEU 13 7.643 4.568 2.626 150 3HD1 LEU 13 1HD1 LEU 13 7.977 4.216 0.930 151 1HD2 LEU 13 3HD2 LEU 13 6.439 7.754 2.089 152 2HD2 LEU 13 2HD2 LEU 13 5.730 6.336 1.315 153 3HD2 LEU 13 1HD2 LEU 13 6.392 6.212 2.944 154 QB LEU 13 QB LEU 13 8.865 7.598 2.490 155 QD1 LEU 13 QD1 LEU 13 8.296 4.524 1.847 156 QD2 LEU 13 QD2 LEU 13 6.187 6.767 2.116 157 QQD LEU 13 QQD LEU 13 7.242 5.646 1.982 158 H LYS 14 H LYS 14 11.244 4.948 1.232 159 HA LYS 14 HA LYS 14 10.082 3.907 -1.211 160 1HB LYS 14 2HB LYS 14 12.286 3.608 -2.337 161 2HB LYS 14 1HB LYS 14 11.894 5.308 -2.088 162 1HG LYS 14 2HG LYS 14 13.206 4.877 0.208 163 2HG LYS 14 1HG LYS 14 13.978 3.629 -0.768 164 1HD LYS 14 2HD LYS 14 15.350 5.431 -1.259 165 2HD LYS 14 1HD LYS 14 14.151 5.593 -2.543 166 1HE LYS 14 2HE LYS 14 12.953 7.298 -1.321 167 2HE LYS 14 1HE LYS 14 13.936 7.020 0.130 168 1HZ LYS 14 2HZ LYS 14 15.096 7.766 -2.497 169 2HZ LYS 14 1HZ LYS 14 14.695 8.912 -1.309 170 3HZ LYS 14 3HZ LYS 14 15.877 7.739 -0.989 171 QB LYS 14 QB LYS 14 12.090 4.458 -2.212 172 QG LYS 14 QG LYS 14 13.592 4.253 -0.280 173 QD LYS 14 QD LYS 14 14.751 5.512 -1.901 174 QE LYS 14 QE LYS 14 13.445 7.159 -0.596 175 QZ LYS 14 QZ LYS 14 15.223 8.139 -1.598 176 H GLY 15 H GLY 15 9.433 2.013 -0.248 177 1HA GLY 15 2HA GLY 15 11.332 -0.050 0.313 178 2HA GLY 15 1HA GLY 15 10.777 0.639 1.837 179 QA GLY 15 QA GLY 15 11.054 0.294 1.075 180 H GLU 16 H GLU 16 10.242 -2.033 1.115 181 HA GLU 16 HA GLU 16 7.413 -2.114 0.228 182 1HB GLU 16 2HB GLU 16 7.895 -4.487 -0.015 183 2HB GLU 16 1HB GLU 16 9.233 -3.563 -0.694 184 1HG GLU 16 2HG GLU 16 10.024 -3.842 1.925 185 2HG GLU 16 1HG GLU 16 9.199 -5.372 1.631 186 QB GLU 16 QB GLU 16 8.564 -4.025 -0.355 187 QG GLU 16 QG GLU 16 9.612 -4.607 1.778 188 H ILE 17 H ILE 17 7.315 -0.866 2.605 189 HA ILE 17 HA ILE 17 7.449 -2.294 5.029 190 HB ILE 17 HB ILE 17 5.698 -0.661 5.766 191 1HG1 ILE 17 2HG1 ILE 17 5.685 0.444 2.970 192 2HG1 ILE 17 1HG1 ILE 17 4.569 -0.855 3.389 193 1HG2 ILE 17 3HG2 ILE 17 8.187 -0.112 5.358 194 2HG2 ILE 17 2HG2 ILE 17 7.632 0.711 3.900 195 3HG2 ILE 17 1HG2 ILE 17 7.068 1.246 5.483 196 1HD1 ILE 17 1HD1 ILE 17 4.827 1.757 4.906 197 2HD1 ILE 17 3HD1 ILE 17 3.560 1.393 3.733 198 3HD1 ILE 17 2HD1 ILE 17 3.664 0.472 5.234 199 QG1 ILE 17 QG1 ILE 17 5.127 -0.206 3.180 200 QG2 ILE 17 QG2 ILE 17 7.629 0.615 4.914 201 QD1 ILE 17 QD1 ILE 17 4.017 1.207 4.624 202 H THR 18 H THR 18 5.997 -3.673 6.136 203 HA THR 18 HA THR 18 3.826 -4.862 4.440 204 HB THR 18 HB THR 18 4.281 -6.900 5.772 205 HG1 THR 18 1HG THR 18 5.087 -6.462 7.656 206 1HG2 THR 18 3HG2 THR 18 5.870 -5.835 3.796 207 2HG2 THR 18 2HG2 THR 18 7.042 -6.161 5.072 208 3HG2 THR 18 1HG2 THR 18 6.034 -7.466 4.448 209 QG2 THR 18 QG2 THR 18 6.315 -6.487 4.438 210 H ILE 19 H ILE 19 1.760 -4.997 5.285 211 HA ILE 19 HA ILE 19 1.320 -4.424 8.173 212 HB ILE 19 HB ILE 19 -0.312 -2.650 7.583 213 1HG1 ILE 19 2HG1 ILE 19 0.195 -1.842 5.050 214 2HG1 ILE 19 1HG1 ILE 19 0.381 -3.584 4.844 215 1HG2 ILE 19 2HG2 ILE 19 2.150 -2.182 8.002 216 2HG2 ILE 19 1HG2 ILE 19 2.350 -2.104 6.250 217 3HG2 ILE 19 3HG2 ILE 19 1.298 -0.949 7.070 218 1HD1 ILE 19 1HD1 ILE 19 -1.878 -3.607 6.279 219 2HD1 ILE 19 3HD1 ILE 19 -2.052 -2.005 5.561 220 3HD1 ILE 19 2HD1 ILE 19 -1.899 -3.426 4.525 221 QG1 ILE 19 QG1 ILE 19 0.288 -2.713 4.947 222 QG2 ILE 19 QG2 ILE 19 1.933 -1.745 7.107 223 QD1 ILE 19 QD1 ILE 19 -1.943 -3.013 5.455 224 H GLU 20 H GLU 20 -0.308 -5.698 8.960 225 HA GLU 20 HA GLU 20 -1.640 -7.636 7.269 226 1HB GLU 20 2HB GLU 20 -2.755 -8.227 9.411 227 2HB GLU 20 1HB GLU 20 -1.016 -8.031 9.618 228 1HG GLU 20 2HG GLU 20 -1.944 -5.466 10.055 229 2HG GLU 20 1HG GLU 20 -3.231 -6.451 10.748 230 QB GLU 20 QB GLU 20 -1.885 -8.129 9.514 231 QG GLU 20 QG GLU 20 -2.587 -5.958 10.402 232 H ALA 21 H ALA 21 -3.942 -7.775 6.857 233 HA ALA 21 HA ALA 21 -5.749 -5.581 7.512 234 1HB ALA 21 3HB ALA 21 -4.228 -5.711 4.941 235 2HB ALA 21 2HB ALA 21 -5.909 -5.180 4.867 236 3HB ALA 21 1HB ALA 21 -4.749 -4.300 5.863 237 QB ALA 21 QB ALA 21 -4.962 -5.063 5.224 238 H VAL 22 H VAL 22 -7.920 -6.005 6.683 239 HA VAL 22 HA VAL 22 -8.766 -8.687 6.691 240 HB VAL 22 HB VAL 22 -10.184 -6.710 7.097 241 1HG1 VAL 22 2HG1 VAL 22 -9.015 -5.508 5.052 242 2HG1 VAL 22 1HG1 VAL 22 -10.357 -6.204 4.144 243 3HG1 VAL 22 3HG1 VAL 22 -10.676 -5.106 5.486 244 1HG2 VAL 22 3HG2 VAL 22 -11.162 -8.911 6.281 245 2HG2 VAL 22 2HG2 VAL 22 -12.166 -7.491 5.985 246 3HG2 VAL 22 1HG2 VAL 22 -11.224 -8.195 4.669 247 QG1 VAL 22 QG1 VAL 22 -10.016 -5.606 4.894 248 QG2 VAL 22 QG2 VAL 22 -11.517 -8.199 5.645 249 QQG VAL 22 QQG VAL 22 -10.767 -6.903 5.270 250 H ASP 23 H ASP 23 -7.789 -6.639 3.986 251 HA ASP 23 HA ASP 23 -7.304 -8.948 2.266 252 1HB ASP 23 2HB ASP 23 -9.018 -8.278 0.586 253 2HB ASP 23 1HB ASP 23 -9.753 -8.734 2.119 254 QB ASP 23 QB ASP 23 -9.386 -8.506 1.352 255 H ALA 24 H ALA 24 -6.796 -7.964 -0.088 256 HA ALA 24 HA ALA 24 -4.677 -6.057 0.241 257 1HB ALA 24 1HB ALA 24 -5.375 -7.865 -1.628 258 2HB ALA 24 3HB ALA 24 -6.007 -6.414 -2.407 259 3HB ALA 24 2HB ALA 24 -4.297 -6.515 -1.987 260 QB ALA 24 QB ALA 24 -5.226 -6.931 -2.007 261 H ALA 25 H ALA 25 -8.095 -5.729 -0.542 262 HA ALA 25 HA ALA 25 -8.151 -3.111 -1.612 263 1HB ALA 25 3HB ALA 25 -10.081 -4.676 0.123 264 2HB ALA 25 2HB ALA 25 -10.506 -3.157 -0.665 265 3HB ALA 25 1HB ALA 25 -10.082 -4.565 -1.638 266 QB ALA 25 QB ALA 25 -10.223 -4.132 -0.727 267 H GLU 26 H GLU 26 -8.403 -4.205 1.777 268 HA GLU 26 HA GLU 26 -8.542 -1.557 2.932 269 1HB GLU 26 2HB GLU 26 -9.235 -3.776 3.950 270 2HB GLU 26 1HB GLU 26 -7.523 -4.143 4.156 271 1HG GLU 26 2HG GLU 26 -7.213 -2.300 5.652 272 2HG GLU 26 1HG GLU 26 -8.794 -1.627 5.256 273 QB GLU 26 QB GLU 26 -8.379 -3.960 4.053 274 QG GLU 26 QG GLU 26 -8.003 -1.964 5.454 275 H ALA 27 H ALA 27 -5.884 -3.850 2.322 276 HA ALA 27 HA ALA 27 -3.744 -2.440 3.550 277 1HB ALA 27 1HB ALA 27 -4.143 -4.468 1.427 278 2HB ALA 27 3HB ALA 27 -2.616 -3.588 1.332 279 3HB ALA 27 2HB ALA 27 -3.031 -4.484 2.795 280 QB ALA 27 QB ALA 27 -3.264 -4.180 1.851 281 H GLU 28 H GLU 28 -5.027 -2.203 0.216 282 HA GLU 28 HA GLU 28 -3.240 -0.214 -0.769 283 1HB GLU 28 2HB GLU 28 -5.142 -1.697 -1.860 284 2HB GLU 28 1HB GLU 28 -6.149 -0.288 -1.525 285 1HG GLU 28 2HG GLU 28 -4.115 1.010 -2.638 286 2HG GLU 28 1HG GLU 28 -3.828 -0.552 -3.405 287 QB GLU 28 QB GLU 28 -5.646 -0.993 -1.692 288 QG GLU 28 QG GLU 28 -3.971 0.229 -3.021 289 H LYS 29 H LYS 29 -6.225 0.044 1.145 290 HA LYS 29 HA LYS 29 -6.428 2.940 1.017 291 1HB LYS 29 2HB LYS 29 -7.486 0.785 2.871 292 2HB LYS 29 1HB LYS 29 -7.926 2.484 3.038 293 1HG LYS 29 2HG LYS 29 -8.193 1.436 0.292 294 2HG LYS 29 1HG LYS 29 -9.269 0.676 1.462 295 1HD LYS 29 2HD LYS 29 -10.531 2.522 0.775 296 2HD LYS 29 1HD LYS 29 -9.745 3.137 2.228 297 1HE LYS 29 2HE LYS 29 -8.348 4.545 1.041 298 2HE LYS 29 1HE LYS 29 -8.284 3.462 -0.364 299 1HZ LYS 29 1HZ LYS 29 -10.684 4.986 0.507 300 2HZ LYS 29 3HZ LYS 29 -9.675 5.428 -0.783 301 3HZ LYS 29 2HZ LYS 29 -10.571 3.987 -0.863 302 QB LYS 29 QB LYS 29 -7.706 1.634 2.954 303 QG LYS 29 QG LYS 29 -8.731 1.056 0.877 304 QD LYS 29 QD LYS 29 -10.138 2.829 1.501 305 QE LYS 29 QE LYS 29 -8.316 4.004 0.338 306 QZ LYS 29 QZ LYS 29 -10.310 4.800 -0.380 307 H ILE 30 H ILE 30 -5.264 0.674 3.533 308 HA ILE 30 HA ILE 30 -4.254 2.594 5.385 309 HB ILE 30 HB ILE 30 -3.302 -0.211 4.678 310 1HG1 ILE 30 2HG1 ILE 30 -5.055 0.478 7.016 311 2HG1 ILE 30 1HG1 ILE 30 -5.783 0.324 5.416 312 1HG2 ILE 30 2HG2 ILE 30 -1.713 1.176 6.076 313 2HG2 ILE 30 1HG2 ILE 30 -2.987 1.301 7.289 314 3HG2 ILE 30 3HG2 ILE 30 -2.309 -0.275 6.882 315 1HD1 ILE 30 2HD1 ILE 30 -3.888 -1.810 6.314 316 2HD1 ILE 30 1HD1 ILE 30 -5.513 -1.795 7.003 317 3HD1 ILE 30 3HD1 ILE 30 -5.296 -1.934 5.258 318 QG1 ILE 30 QG1 ILE 30 -5.419 0.401 6.216 319 QG2 ILE 30 QG2 ILE 30 -2.336 0.734 6.749 320 QD1 ILE 30 QD1 ILE 30 -4.899 -1.846 6.191 321 H PHE 31 H PHE 31 -2.886 1.146 2.479 322 HA PHE 31 HA PHE 31 -0.227 2.314 2.806 323 1HB PHE 31 2HB PHE 31 -1.781 0.820 0.696 324 2HB PHE 31 1HB PHE 31 -0.240 1.564 0.282 325 HD1 PHE 31 1HD PHE 31 1.411 1.195 2.641 326 HD2 PHE 31 2HD PHE 31 -1.465 -1.474 0.895 327 HE1 PHE 31 1HE PHE 31 2.604 -0.739 3.634 328 HE2 PHE 31 2HE PHE 31 -0.270 -3.407 1.887 329 1HZ PHE 31 HZ PHE 31 1.765 -3.039 3.255 330 QB PHE 31 QB PHE 31 -1.010 1.192 0.489 331 QG PHE 31 QD PHE 31 -0.027 -0.139 1.768 332 QZ PHE 31 QE PHE 31 1.167 -2.073 2.761 333 QZ PHE 31 QR PHE 31 0.809 -1.493 2.463 334 H LYS 32 H LYS 32 -3.214 3.088 1.073 335 HA LYS 32 HA LYS 32 -2.115 5.362 -0.336 336 1HB LYS 32 2HB LYS 32 -4.827 4.157 0.107 337 2HB LYS 32 1HB LYS 32 -4.662 5.714 -0.703 338 1HG LYS 32 2HG LYS 32 -3.278 4.771 -2.425 339 2HG LYS 32 1HG LYS 32 -3.137 3.242 -1.557 340 1HD LYS 32 2HD LYS 32 -5.263 2.559 -2.139 341 2HD LYS 32 1HD LYS 32 -5.887 4.206 -2.210 342 1HE LYS 32 2HE LYS 32 -4.113 4.323 -4.254 343 2HE LYS 32 1HE LYS 32 -4.557 2.606 -4.333 344 1HZ LYS 32 1HZ LYS 32 -6.486 4.861 -4.161 345 2HZ LYS 32 3HZ LYS 32 -6.117 4.011 -5.581 346 3HZ LYS 32 2HZ LYS 32 -6.879 3.213 -4.288 347 QB LYS 32 QB LYS 32 -4.745 4.935 -0.298 348 QG LYS 32 QG LYS 32 -3.207 4.007 -1.991 349 QD LYS 32 QD LYS 32 -5.575 3.382 -2.174 350 QE LYS 32 QE LYS 32 -4.335 3.464 -4.294 351 QZ LYS 32 QZ LYS 32 -6.494 4.028 -4.677 352 H GLN 33 H GLN 33 -2.721 4.981 2.914 353 HA GLN 33 HA GLN 33 -3.655 7.831 3.260 354 1HB GLN 33 2HB GLN 33 -5.038 6.062 4.334 355 2HB GLN 33 1HB GLN 33 -3.602 5.422 5.134 356 1HG GLN 33 2HG GLN 33 -3.513 7.141 6.659 357 2HG GLN 33 1HG GLN 33 -4.187 8.317 5.528 358 1HE2 GLN 33 2HE2 GLN 33 -7.461 7.913 6.745 359 2HE2 GLN 33 1HE2 GLN 33 -6.365 8.836 5.837 360 QB GLN 33 QB GLN 33 -4.320 5.742 4.734 361 QG GLN 33 QG GLN 33 -3.850 7.729 6.093 362 QE2 GLN 33 QE2 GLN 33 -6.913 8.374 6.291 363 H TYR 34 H TYR 34 -1.496 5.299 4.302 364 HA TYR 34 HA TYR 34 0.405 6.637 5.901 365 1HB TYR 34 2HB TYR 34 0.379 4.280 5.741 366 2HB TYR 34 1HB TYR 34 0.214 4.317 3.980 367 HD1 TYR 34 2HD TYR 34 2.591 4.882 6.816 368 HD2 TYR 34 1HD TYR 34 2.173 4.252 2.587 369 HE1 TYR 34 2HE TYR 34 5.044 4.586 6.618 370 HE2 TYR 34 1HE TYR 34 4.627 3.955 2.390 371 HH TYR 34 HH TYR 34 6.656 3.575 5.140 372 QB TYR 34 QB TYR 34 0.297 4.298 4.860 373 QG TYR 34 QD TYR 34 2.382 4.567 4.702 374 QZ TYR 34 QE TYR 34 4.835 4.270 4.504 375 QR TYR 34 QR TYR 34 3.608 4.419 4.603 376 H ALA 35 H ALA 35 0.206 6.217 2.368 377 HA ALA 35 HA ALA 35 2.635 7.507 1.573 378 1HB ALA 35 2HB ALA 35 -0.051 6.887 0.377 379 2HB ALA 35 1HB ALA 35 1.049 7.938 -0.517 380 3HB ALA 35 3HB ALA 35 1.541 6.296 -0.097 381 QB ALA 35 QB ALA 35 0.846 7.041 -0.079 382 H ASN 36 H ASN 36 -0.685 8.809 1.924 383 HA ASN 36 HA ASN 36 -0.180 11.496 1.164 384 1HB ASN 36 2HB ASN 36 -2.140 10.044 2.895 385 2HB ASN 36 1HB ASN 36 -2.150 11.807 2.906 386 1HD2 ASN 36 2HD2 ASN 36 -2.859 10.035 -0.745 387 2HD2 ASN 36 1HD2 ASN 36 -1.691 9.358 0.284 388 QB ASN 36 QB ASN 36 -2.145 10.925 2.900 389 QD2 ASN 36 QD2 ASN 36 -2.275 9.697 -0.231 390 H ASP 37 H ASP 37 -0.122 10.047 4.435 391 HA ASP 37 HA ASP 37 0.578 12.352 5.912 392 1HB ASP 37 2HB ASP 37 -0.081 9.964 6.635 393 2HB ASP 37 1HB ASP 37 1.631 9.579 6.464 394 QB ASP 37 QB ASP 37 0.775 9.771 6.550 395 H ASN 38 H ASN 38 2.530 10.446 3.779 396 HA ASN 38 HA ASN 38 5.012 11.714 4.743 397 1HB ASN 38 2HB ASN 38 4.261 9.270 3.195 398 2HB ASN 38 1HB ASN 38 5.875 9.944 2.966 399 1HD2 ASN 38 2HD2 ASN 38 5.184 7.738 6.220 400 2HD2 ASN 38 1HD2 ASN 38 4.169 7.761 4.859 401 QB ASN 38 QB ASN 38 5.068 9.607 3.081 402 QD2 ASN 38 QD2 ASN 38 4.676 7.749 5.540 403 H GLY 39 H GLY 39 2.802 11.634 2.031 404 1HA GLY 39 2HA GLY 39 2.724 13.570 0.509 405 2HA GLY 39 1HA GLY 39 4.477 13.698 0.665 406 QA GLY 39 QA GLY 39 3.600 13.634 0.587 407 H ILE 40 H ILE 40 2.836 10.624 0.267 408 HA ILE 40 HA ILE 40 4.314 10.187 -2.273 409 HB ILE 40 HB ILE 40 3.105 8.596 -0.053 410 1HG1 ILE 40 2HG1 ILE 40 5.288 7.386 -0.318 411 2HG1 ILE 40 1HG1 ILE 40 5.695 8.537 -1.593 412 1HG2 ILE 40 3HG2 ILE 40 2.137 7.580 -2.153 413 2HG2 ILE 40 2HG2 ILE 40 3.791 7.278 -2.684 414 3HG2 ILE 40 1HG2 ILE 40 3.176 6.506 -1.220 415 1HD1 ILE 40 3HD1 ILE 40 4.863 9.364 1.191 416 2HD1 ILE 40 2HD1 ILE 40 6.553 9.170 0.700 417 3HD1 ILE 40 1HD1 ILE 40 5.538 10.388 -0.081 418 QG1 ILE 40 QG1 ILE 40 5.491 7.961 -0.956 419 QG2 ILE 40 QG2 ILE 40 3.035 7.121 -2.019 420 QD1 ILE 40 QD1 ILE 40 5.651 9.641 0.604 421 H ASP 41 H ASP 41 3.157 10.977 -3.972 422 HA ASP 41 HA ASP 41 0.373 9.971 -4.364 423 1HB ASP 41 2HB ASP 41 0.434 12.237 -3.220 424 2HB ASP 41 1HB ASP 41 1.167 12.876 -4.692 425 QB ASP 41 QB ASP 41 0.801 12.556 -3.956 426 H GLY 42 H GLY 42 0.938 8.743 -6.180 427 1HA GLY 42 2HA GLY 42 1.458 10.245 -8.650 428 2HA GLY 42 1HA GLY 42 2.721 9.093 -8.215 429 QA GLY 42 QA GLY 42 2.089 9.669 -8.432 430 H GLU 43 H GLU 43 2.401 6.953 -8.735 431 HA GLU 43 HA GLU 43 -0.241 6.234 -9.959 432 1HB GLU 43 2HB GLU 43 2.326 6.066 -10.890 433 2HB GLU 43 1HB GLU 43 2.105 4.446 -10.227 434 1HG GLU 43 2HG GLU 43 1.359 4.320 -12.491 435 2HG GLU 43 1HG GLU 43 -0.106 4.377 -11.512 436 QB GLU 43 QB GLU 43 2.216 5.256 -10.559 437 QG GLU 43 QG GLU 43 0.627 4.349 -12.001 438 H TRP 44 H TRP 44 -0.618 3.701 -9.707 439 HA TRP 44 HA TRP 44 0.184 2.569 -7.073 440 1HB TRP 44 2HB TRP 44 -2.527 3.689 -7.782 441 2HB TRP 44 1HB TRP 44 -2.428 2.274 -6.728 442 HD1 TRP 44 HD TRP 44 -1.660 5.996 -6.819 443 HE1 TRP 44 1HE TRP 44 -1.038 6.759 -4.435 444 HE3 TRP 44 3HE TRP 44 -1.422 1.465 -4.518 445 HZ2 TRP 44 2HZ TRP 44 -0.504 5.583 -1.877 446 HZ3 TRP 44 3HZ TRP 44 -0.855 1.308 -2.100 447 HH2 TRP 44 HH TRP 44 -0.392 3.361 -0.788 448 QB TRP 44 QB TRP 44 -2.478 2.982 -7.255 449 H THR 45 H THR 45 0.352 0.382 -7.345 450 HA THR 45 HA THR 45 -1.433 -0.992 -9.296 451 HB THR 45 HB THR 45 0.377 -1.947 -10.510 452 HG1 THR 45 1HG THR 45 2.508 -1.774 -9.802 453 1HG2 THR 45 3HG2 THR 45 -0.009 0.441 -11.048 454 2HG2 THR 45 2HG2 THR 45 1.235 0.884 -9.875 455 3HG2 THR 45 1HG2 THR 45 1.670 -0.034 -11.319 456 QG2 THR 45 QG2 THR 45 0.965 0.430 -10.747 457 H TYR 46 H TYR 46 -2.098 -2.902 -8.463 458 HA TYR 46 HA TYR 46 -0.847 -3.841 -5.928 459 1HB TYR 46 2HB TYR 46 -3.219 -3.438 -5.848 460 2HB TYR 46 1HB TYR 46 -3.486 -4.355 -7.334 461 HD1 TYR 46 2HD TYR 46 -1.715 -4.918 -4.072 462 HD2 TYR 46 1HD TYR 46 -4.442 -6.459 -7.009 463 HE1 TYR 46 2HE TYR 46 -1.957 -6.997 -2.752 464 HE2 TYR 46 1HE TYR 46 -4.677 -8.549 -5.691 465 HH TYR 46 HH TYR 46 -4.241 -8.979 -2.841 466 QB TYR 46 QB TYR 46 -3.352 -3.897 -6.591 467 QG TYR 46 QD TYR 46 -3.078 -5.689 -5.540 468 QZ TYR 46 QE TYR 46 -3.317 -7.773 -4.222 469 QR TYR 46 QR TYR 46 -3.198 -6.731 -4.881 470 H ASP 47 H ASP 47 0.182 -5.833 -5.820 471 HA ASP 47 HA ASP 47 0.424 -7.387 -8.370 472 1HB ASP 47 2HB ASP 47 2.174 -7.199 -5.893 473 2HB ASP 47 1HB ASP 47 2.532 -8.197 -7.300 474 QB ASP 47 QB ASP 47 2.353 -7.698 -6.597 475 H ASP 48 H ASP 48 -1.305 -8.843 -8.190 476 HA ASP 48 HA ASP 48 -2.097 -10.140 -5.734 477 1HB ASP 48 2HB ASP 48 -3.513 -9.737 -7.749 478 2HB ASP 48 1HB ASP 48 -2.558 -10.936 -8.623 479 QB ASP 48 QB ASP 48 -3.036 -10.336 -8.186 480 H ALA 49 H ALA 49 0.658 -10.649 -7.626 481 HA ALA 49 HA ALA 49 0.793 -13.571 -7.243 482 1HB ALA 49 3HB ALA 49 2.496 -11.426 -8.525 483 2HB ALA 49 2HB ALA 49 3.081 -13.081 -8.350 484 3HB ALA 49 1HB ALA 49 1.640 -12.752 -9.312 485 QB ALA 49 QB ALA 49 2.406 -12.420 -8.729 486 H THR 50 H THR 50 2.030 -10.590 -5.835 487 HA THR 50 HA THR 50 3.449 -12.220 -3.755 488 HB THR 50 HB THR 50 5.131 -10.382 -3.746 489 HG1 THR 50 1HG THR 50 3.691 -9.471 -6.011 490 1HG2 THR 50 1HG2 THR 50 5.142 -12.455 -5.335 491 2HG2 THR 50 3HG2 THR 50 4.808 -11.271 -6.599 492 3HG2 THR 50 2HG2 THR 50 6.281 -11.142 -5.637 493 QG2 THR 50 QG2 THR 50 5.410 -11.623 -5.857 494 H LYS 51 H LYS 51 0.787 -10.381 -4.234 495 HA LYS 51 HA LYS 51 -0.558 -9.021 -2.855 496 1HB LYS 51 2HB LYS 51 1.238 -10.330 -0.782 497 2HB LYS 51 1HB LYS 51 -0.296 -9.533 -0.435 498 1HG LYS 51 2HG LYS 51 -0.320 -11.636 -2.546 499 2HG LYS 51 1HG LYS 51 -0.131 -12.178 -0.878 500 1HD LYS 51 2HD LYS 51 -2.137 -10.726 -0.300 501 2HD LYS 51 1HD LYS 51 -2.390 -10.531 -2.035 502 1HE LYS 51 2HE LYS 51 -2.308 -13.131 -2.129 503 2HE LYS 51 1HE LYS 51 -2.592 -13.048 -0.379 504 1HZ LYS 51 1HZ LYS 51 -4.207 -11.541 -2.360 505 2HZ LYS 51 3HZ LYS 51 -4.656 -13.071 -1.781 506 3HZ LYS 51 2HZ LYS 51 -4.534 -11.761 -0.707 507 QB LYS 51 QB LYS 51 0.471 -9.932 -0.609 508 QG LYS 51 QG LYS 51 -0.226 -11.907 -1.712 509 QD LYS 51 QD LYS 51 -2.263 -10.629 -1.167 510 QE LYS 51 QE LYS 51 -2.450 -13.090 -1.254 511 QZ LYS 51 QZ LYS 51 -4.466 -12.125 -1.616 512 H THR 52 H THR 52 1.716 -7.736 -4.033 513 HA THR 52 HA THR 52 2.429 -5.760 -1.878 514 HB THR 52 HB THR 52 4.074 -6.594 -4.285 515 HG1 THR 52 1HG THR 52 5.273 -7.754 -2.684 516 1HG2 THR 52 2HG2 THR 52 4.488 -4.791 -1.922 517 2HG2 THR 52 1HG2 THR 52 5.873 -5.621 -2.632 518 3HG2 THR 52 3HG2 THR 52 4.905 -4.523 -3.615 519 QG2 THR 52 QG2 THR 52 5.089 -4.978 -2.723 520 H PHE 53 H PHE 53 1.933 -3.643 -2.361 521 HA PHE 53 HA PHE 53 0.683 -3.054 -4.973 522 1HB PHE 53 2HB PHE 53 0.993 -1.612 -2.335 523 2HB PHE 53 1HB PHE 53 0.197 -0.875 -3.726 524 HD1 PHE 53 2HD PHE 53 0.075 -3.732 -1.347 525 HD2 PHE 53 1HD PHE 53 -2.038 -1.503 -4.361 526 HE1 PHE 53 2HE PHE 53 -2.025 -4.919 -0.756 527 HE2 PHE 53 1HE PHE 53 -4.127 -2.691 -3.765 528 1HZ PHE 53 HZ PHE 53 -4.123 -4.398 -1.967 529 QB PHE 53 QB PHE 53 0.595 -1.243 -3.031 530 QG PHE 53 QD PHE 53 -0.981 -2.618 -2.854 531 QZ PHE 53 QE PHE 53 -3.076 -3.805 -2.260 532 QZ PHE 53 QR PHE 53 -2.448 -3.449 -2.439 533 H THR 54 H THR 54 1.343 -0.422 -5.519 534 HA THR 54 HA THR 54 4.256 -0.025 -5.286 535 HB THR 54 HB THR 54 3.143 -0.122 -8.070 536 HG1 THR 54 1HG THR 54 2.552 -2.119 -7.581 537 1HG2 THR 54 2HG2 THR 54 5.435 0.678 -7.605 538 2HG2 THR 54 1HG2 THR 54 5.818 -0.879 -6.870 539 3HG2 THR 54 3HG2 THR 54 5.443 -0.783 -8.591 540 QG2 THR 54 QG2 THR 54 5.566 -0.328 -7.689 541 H VAL 55 H VAL 55 3.775 1.995 -4.407 542 HA VAL 55 HA VAL 55 1.971 3.756 -5.969 543 HB VAL 55 HB VAL 55 1.359 3.504 -3.670 544 1HG1 VAL 55 2HG1 VAL 55 4.235 4.229 -3.036 545 2HG1 VAL 55 1HG1 VAL 55 2.941 4.183 -1.839 546 3HG1 VAL 55 3HG1 VAL 55 3.399 2.707 -2.687 547 1HG2 VAL 55 1HG2 VAL 55 1.169 5.788 -4.589 548 2HG2 VAL 55 3HG2 VAL 55 1.484 5.815 -2.853 549 3HG2 VAL 55 2HG2 VAL 55 2.785 6.157 -3.993 550 QG1 VAL 55 QG1 VAL 55 3.525 3.706 -2.521 551 QG2 VAL 55 QG2 VAL 55 1.813 5.920 -3.811 552 QQG VAL 55 QQG VAL 55 2.669 4.813 -3.166 553 H THR 56 H THR 56 2.994 4.875 -7.481 554 HA THR 56 HA THR 56 5.774 5.807 -7.142 555 HB THR 56 HB THR 56 3.695 5.542 -9.292 556 HG1 THR 56 1HG THR 56 5.029 3.995 -9.652 557 1HG2 THR 56 2HG2 THR 56 6.089 7.389 -9.515 558 2HG2 THR 56 1HG2 THR 56 5.139 6.817 -10.886 559 3HG2 THR 56 3HG2 THR 56 4.388 7.841 -9.661 560 QG2 THR 56 QG2 THR 56 5.205 7.349 -10.021 561 H GLU 57 H GLU 57 6.137 8.221 -7.711 562 HA GLU 57 HA GLU 57 4.075 9.872 -6.300 563 1HB GLU 57 2HB GLU 57 6.801 9.496 -5.902 564 2HB GLU 57 1HB GLU 57 6.739 11.023 -6.783 565 1HG GLU 57 2HG GLU 57 5.036 10.436 -4.348 566 2HG GLU 57 1HG GLU 57 6.597 11.251 -4.267 567 QB GLU 57 QB GLU 57 6.770 10.259 -6.342 568 QG GLU 57 QG GLU 57 5.817 10.843 -4.307 No H/Q in entry = 568 Start of MODEL 22 1 1H MET 1 3HT MET 1 -0.060 -14.128 6.790 2 2H MET 1 2HT MET 1 -0.997 -13.291 7.933 3 3H MET 1 1HT MET 1 -0.597 -14.921 8.190 4 HA MET 1 HA MET 1 -1.979 -15.628 6.375 5 1HB MET 1 2HB MET 1 -2.789 -14.935 8.761 6 2HB MET 1 1HB MET 1 -3.533 -13.567 7.933 7 1HG MET 1 2HG MET 1 -4.720 -15.141 6.429 8 2HG MET 1 1HG MET 1 -4.005 -16.497 7.300 9 1HE MET 1 2HE MET 1 -7.046 -15.350 6.653 10 2HE MET 1 1HE MET 1 -6.843 -16.987 7.274 11 3HE MET 1 3HE MET 1 -7.954 -15.865 8.072 12 QB MET 1 QB MET 1 -3.161 -14.251 8.347 13 QG MET 1 QG MET 1 -4.362 -15.819 6.864 14 QE MET 1 QE MET 1 -7.281 -16.067 7.333 15 H THR 2 H THR 2 -2.344 -12.091 6.861 16 HA THR 2 HA THR 2 -2.605 -11.777 3.898 17 HB THR 2 HB THR 2 -4.421 -10.590 6.023 18 HG1 THR 2 1HG THR 2 -5.951 -12.001 4.943 19 1HG2 THR 2 1HG2 THR 2 -4.075 -10.178 3.099 20 2HG2 THR 2 3HG2 THR 2 -5.733 -10.272 3.693 21 3HG2 THR 2 2HG2 THR 2 -4.634 -9.052 4.336 22 QG2 THR 2 QG2 THR 2 -4.814 -9.834 3.709 23 H THR 3 H THR 3 -0.238 -11.155 4.954 24 HA THR 3 HA THR 3 -0.186 -8.362 5.934 25 HB THR 3 HB THR 3 2.099 -10.225 5.235 26 HG1 THR 3 1HG THR 3 1.840 -11.157 7.157 27 1HG2 THR 3 2HG2 THR 3 2.210 -7.622 5.912 28 2HG2 THR 3 1HG2 THR 3 2.144 -8.329 7.527 29 3HG2 THR 3 3HG2 THR 3 3.437 -8.786 6.416 30 QG2 THR 3 QG2 THR 3 2.597 -8.246 6.619 31 H PHE 4 H PHE 4 -0.625 -6.947 4.234 32 HA PHE 4 HA PHE 4 0.487 -7.405 1.543 33 1HB PHE 4 2HB PHE 4 -1.228 -5.291 2.870 34 2HB PHE 4 1HB PHE 4 -0.714 -5.169 1.187 35 HD1 PHE 4 1HD PHE 4 -1.142 -7.294 -0.298 36 HD2 PHE 4 2HD PHE 4 -3.189 -6.448 3.381 37 HE1 PHE 4 1HE PHE 4 -2.976 -8.823 -0.967 38 HE2 PHE 4 2HE PHE 4 -5.022 -7.970 2.708 39 1HZ PHE 4 HZ PHE 4 -4.917 -9.161 0.537 40 QB PHE 4 QB PHE 4 -0.971 -5.230 2.028 41 QG PHE 4 QD PHE 4 -2.165 -6.871 1.541 42 QZ PHE 4 QE PHE 4 -3.999 -8.396 0.871 43 QZ PHE 4 QR PHE 4 -3.449 -7.939 1.072 44 H LYS 5 H LYS 5 1.995 -5.966 0.537 45 HA LYS 5 HA LYS 5 3.640 -4.347 2.455 46 1HB LYS 5 2HB LYS 5 4.387 -5.802 -0.108 47 2HB LYS 5 1HB LYS 5 5.509 -4.911 0.918 48 1HG LYS 5 2HG LYS 5 5.843 -6.905 1.952 49 2HG LYS 5 1HG LYS 5 4.299 -6.583 2.738 50 1HD LYS 5 2HD LYS 5 3.104 -7.873 1.094 51 2HD LYS 5 1HD LYS 5 4.543 -8.021 0.084 52 1HE LYS 5 2HE LYS 5 4.562 -9.047 2.925 53 2HE LYS 5 1HE LYS 5 3.939 -10.048 1.598 54 1HZ LYS 5 1HZ LYS 5 6.001 -9.575 0.372 55 2HZ LYS 5 3HZ LYS 5 6.607 -8.743 1.720 56 3HZ LYS 5 2HZ LYS 5 6.298 -10.411 1.821 57 QB LYS 5 QB LYS 5 4.948 -5.357 0.405 58 QG LYS 5 QG LYS 5 5.071 -6.744 2.345 59 QD LYS 5 QD LYS 5 3.823 -7.947 0.589 60 QE LYS 5 QE LYS 5 4.251 -9.547 2.262 61 QZ LYS 5 QZ LYS 5 6.302 -9.576 1.304 62 H LEU 6 H LEU 6 5.142 -2.955 0.541 63 HA LEU 6 HA LEU 6 3.447 -1.742 -1.495 64 1HB LEU 6 2HB LEU 6 2.427 -0.837 0.541 65 2HB LEU 6 1HB LEU 6 4.001 -0.282 1.110 66 HG LEU 6 HG LEU 6 4.159 1.166 -0.940 67 1HD1 LEU 6 1HD1 LEU 6 2.580 -0.137 -2.334 68 2HD1 LEU 6 3HD1 LEU 6 1.258 0.348 -1.272 69 3HD1 LEU 6 2HD1 LEU 6 2.105 1.559 -2.234 70 1HD2 LEU 6 3HD2 LEU 6 3.193 1.876 1.352 71 2HD2 LEU 6 2HD2 LEU 6 2.818 2.902 -0.035 72 3HD2 LEU 6 1HD2 LEU 6 1.616 1.768 0.573 73 QB LEU 6 QB LEU 6 3.214 -0.559 0.825 74 QD1 LEU 6 QD1 LEU 6 1.981 0.590 -1.947 75 QD2 LEU 6 QD2 LEU 6 2.543 2.182 0.630 76 QQD LEU 6 QQD LEU 6 2.262 1.386 -0.658 77 H ILE 7 H ILE 7 5.086 -1.628 -2.990 78 HA ILE 7 HA ILE 7 7.814 -0.812 -2.220 79 HB ILE 7 HB ILE 7 6.503 -1.482 -4.884 80 1HG1 ILE 7 2HG1 ILE 7 8.451 -3.291 -3.530 81 2HG1 ILE 7 1HG1 ILE 7 6.831 -3.203 -2.838 82 1HG2 ILE 7 1HG2 ILE 7 9.247 -0.664 -4.087 83 2HG2 ILE 7 3HG2 ILE 7 9.140 -2.022 -5.208 84 3HG2 ILE 7 2HG2 ILE 7 8.419 -0.471 -5.632 85 1HD1 ILE 7 3HD1 ILE 7 7.204 -3.576 -5.802 86 2HD1 ILE 7 2HD1 ILE 7 7.278 -4.957 -4.708 87 3HD1 ILE 7 1HD1 ILE 7 5.810 -3.986 -4.803 88 QG1 ILE 7 QG1 ILE 7 7.641 -3.247 -3.184 89 QG2 ILE 7 QG2 ILE 7 8.935 -1.053 -4.976 90 QD1 ILE 7 QD1 ILE 7 6.764 -4.173 -5.104 91 H ILE 8 H ILE 8 7.902 1.382 -1.785 92 HA ILE 8 HA ILE 8 6.237 3.304 -3.189 93 HB ILE 8 HB ILE 8 8.680 3.761 -1.458 94 1HG1 ILE 8 2HG1 ILE 8 6.651 2.281 -0.523 95 2HG1 ILE 8 1HG1 ILE 8 7.430 3.482 0.486 96 1HG2 ILE 8 3HG2 ILE 8 6.410 5.458 -2.451 97 2HG2 ILE 8 2HG2 ILE 8 7.225 5.873 -0.937 98 3HG2 ILE 8 1HG2 ILE 8 8.144 5.804 -2.441 99 1HD1 ILE 8 2HD1 ILE 8 5.151 4.475 -1.130 100 2HD1 ILE 8 1HD1 ILE 8 4.744 3.325 0.140 101 3HD1 ILE 8 3HD1 ILE 8 5.584 4.824 0.542 102 QG1 ILE 8 QG1 ILE 8 7.041 2.881 -0.019 103 QG2 ILE 8 QG2 ILE 8 7.259 5.712 -1.943 104 QD1 ILE 8 QD1 ILE 8 5.160 4.208 -0.150 105 H ASN 9 H ASN 9 6.757 3.358 -5.408 106 HA ASN 9 HA ASN 9 9.564 3.507 -6.294 107 1HB ASN 9 2HB ASN 9 7.817 2.249 -7.516 108 2HB ASN 9 1HB ASN 9 6.908 3.741 -7.751 109 1HD2 ASN 9 2HD2 ASN 9 8.895 4.819 -10.476 110 2HD2 ASN 9 1HD2 ASN 9 7.591 5.166 -9.447 111 QB ASN 9 QB ASN 9 7.363 2.995 -7.634 112 QD2 ASN 9 QD2 ASN 9 8.243 4.993 -9.962 113 H GLY 10 H GLY 10 9.550 5.612 -4.764 114 1HA GLY 10 2HA GLY 10 9.220 7.932 -6.606 115 2HA GLY 10 1HA GLY 10 8.554 8.033 -4.975 116 QA GLY 10 QA GLY 10 8.887 7.982 -5.790 117 H LYS 11 H LYS 11 9.880 9.322 -3.794 118 HA LYS 11 HA LYS 11 12.736 8.585 -3.551 119 1HB LYS 11 2HB LYS 11 13.434 10.909 -4.104 120 2HB LYS 11 1HB LYS 11 12.645 10.117 -5.467 121 1HG LYS 11 2HG LYS 11 10.496 11.257 -4.214 122 2HG LYS 11 1HG LYS 11 11.757 12.437 -3.860 123 1HD LYS 11 2HD LYS 11 12.342 12.416 -6.321 124 2HD LYS 11 1HD LYS 11 10.899 11.437 -6.589 125 1HE LYS 11 2HE LYS 11 9.795 13.424 -6.791 126 2HE LYS 11 1HE LYS 11 9.958 13.554 -5.028 127 1HZ LYS 11 1HZ LYS 11 12.021 14.423 -6.984 128 2HZ LYS 11 3HZ LYS 11 10.932 15.470 -6.211 129 3HZ LYS 11 2HZ LYS 11 12.083 14.615 -5.297 130 QB LYS 11 QB LYS 11 13.039 10.513 -4.786 131 QG LYS 11 QG LYS 11 11.127 11.847 -4.037 132 QD LYS 11 QD LYS 11 11.621 11.927 -6.455 133 QE LYS 11 QE LYS 11 9.877 13.489 -5.910 134 QZ LYS 11 QZ LYS 11 11.679 14.836 -6.164 135 H THR 12 H THR 12 10.169 8.844 -1.860 136 HA THR 12 HA THR 12 11.430 10.411 0.353 137 HB THR 12 HB THR 12 8.465 10.499 0.040 138 HG1 THR 12 1HG THR 12 8.492 11.632 -1.727 139 1HG2 THR 12 1HG2 THR 12 10.687 12.200 1.090 140 2HG2 THR 12 3HG2 THR 12 9.194 12.993 0.589 141 3HG2 THR 12 2HG2 THR 12 9.158 11.759 1.850 142 QG2 THR 12 QG2 THR 12 9.680 12.317 1.176 143 H LEU 13 H LEU 13 10.573 7.412 -0.530 144 HA LEU 13 HA LEU 13 10.289 6.439 2.183 145 1HB LEU 13 2HB LEU 13 7.948 7.325 0.774 146 2HB LEU 13 1HB LEU 13 7.848 5.573 0.948 147 HG LEU 13 HG LEU 13 8.325 7.566 3.186 148 1HD1 LEU 13 3HD1 LEU 13 5.937 6.169 2.069 149 2HD1 LEU 13 2HD1 LEU 13 6.053 6.246 3.829 150 3HD1 LEU 13 1HD1 LEU 13 6.049 7.733 2.880 151 1HD2 LEU 13 1HD2 LEU 13 8.190 4.537 3.115 152 2HD2 LEU 13 3HD2 LEU 13 9.477 5.548 3.772 153 3HD2 LEU 13 2HD2 LEU 13 7.921 5.454 4.597 154 QB LEU 13 QB LEU 13 7.898 6.449 0.861 155 QD1 LEU 13 QD1 LEU 13 6.013 6.716 2.926 156 QD2 LEU 13 QD2 LEU 13 8.530 5.180 3.828 157 QQD LEU 13 QQD LEU 13 7.271 5.948 3.377 158 H LYS 14 H LYS 14 11.825 5.893 -0.331 159 HA LYS 14 HA LYS 14 11.046 3.600 -1.737 160 1HB LYS 14 2HB LYS 14 13.578 4.931 -0.942 161 2HB LYS 14 1HB LYS 14 13.728 3.271 -1.521 162 1HG LYS 14 2HG LYS 14 12.040 4.226 -3.393 163 2HG LYS 14 1HG LYS 14 12.886 5.720 -2.988 164 1HD LYS 14 2HD LYS 14 15.048 4.284 -3.220 165 2HD LYS 14 1HD LYS 14 14.014 3.159 -4.102 166 1HE LYS 14 2HE LYS 14 13.302 5.124 -5.560 167 2HE LYS 14 1HE LYS 14 14.611 6.050 -4.800 168 1HZ LYS 14 1HZ LYS 14 16.108 4.160 -5.365 169 2HZ LYS 14 3HZ LYS 14 14.851 3.490 -6.286 170 3HZ LYS 14 2HZ LYS 14 15.512 4.995 -6.719 171 QB LYS 14 QB LYS 14 13.653 4.101 -1.232 172 QG LYS 14 QG LYS 14 12.463 4.973 -3.190 173 QD LYS 14 QD LYS 14 14.531 3.721 -3.661 174 QE LYS 14 QE LYS 14 13.956 5.587 -5.180 175 QZ LYS 14 QZ LYS 14 15.490 4.215 -6.123 176 H GLY 15 H GLY 15 10.131 1.861 -0.623 177 1HA GLY 15 2HA GLY 15 11.810 0.010 0.749 178 2HA GLY 15 1HA GLY 15 10.911 0.932 1.953 179 QA GLY 15 QA GLY 15 11.361 0.471 1.351 180 H GLU 16 H GLU 16 10.223 -1.541 2.155 181 HA GLU 16 HA GLU 16 7.620 -1.811 0.695 182 1HB GLU 16 2HB GLU 16 10.003 -3.594 0.822 183 2HB GLU 16 1HB GLU 16 8.428 -4.383 0.923 184 1HG GLU 16 2HG GLU 16 7.824 -3.765 -1.215 185 2HG GLU 16 1HG GLU 16 8.802 -2.297 -1.181 186 QB GLU 16 QB GLU 16 9.216 -3.989 0.872 187 QG GLU 16 QG GLU 16 8.313 -3.031 -1.198 188 H ILE 17 H ILE 17 7.274 -0.786 3.062 189 HA ILE 17 HA ILE 17 7.469 -2.452 5.387 190 HB ILE 17 HB ILE 17 5.541 -0.218 4.648 191 1HG1 ILE 17 2HG1 ILE 17 8.126 -0.134 6.235 192 2HG1 ILE 17 1HG1 ILE 17 8.001 0.316 4.535 193 1HG2 ILE 17 3HG2 ILE 17 4.778 -1.557 6.598 194 2HG2 ILE 17 2HG2 ILE 17 6.338 -1.289 7.375 195 3HG2 ILE 17 1HG2 ILE 17 5.260 0.072 7.072 196 1HD1 ILE 17 3HD1 ILE 17 5.976 1.800 5.549 197 2HD1 ILE 17 2HD1 ILE 17 7.049 1.760 6.948 198 3HD1 ILE 17 1HD1 ILE 17 7.628 2.398 5.410 199 QG1 ILE 17 QG1 ILE 17 8.064 0.091 5.385 200 QG2 ILE 17 QG2 ILE 17 5.459 -0.924 7.015 201 QD1 ILE 17 QD1 ILE 17 6.885 1.986 5.969 202 H THR 18 H THR 18 6.133 -4.089 6.123 203 HA THR 18 HA THR 18 3.867 -4.904 4.354 204 HB THR 18 HB THR 18 4.214 -7.099 5.428 205 HG1 THR 18 1HG THR 18 4.870 -6.782 7.423 206 1HG2 THR 18 3HG2 THR 18 6.063 -5.764 3.768 207 2HG2 THR 18 2HG2 THR 18 7.029 -6.596 4.986 208 3HG2 THR 18 1HG2 THR 18 5.895 -7.506 3.989 209 QG2 THR 18 QG2 THR 18 6.329 -6.622 4.248 210 H ILE 19 H ILE 19 1.777 -4.936 5.151 211 HA ILE 19 HA ILE 19 1.371 -4.542 8.090 212 HB ILE 19 HB ILE 19 -0.288 -2.785 7.568 213 1HG1 ILE 19 2HG1 ILE 19 0.110 -1.950 5.017 214 2HG1 ILE 19 1HG1 ILE 19 0.290 -3.691 4.795 215 1HG2 ILE 19 2HG2 ILE 19 2.072 -2.156 7.961 216 2HG2 ILE 19 1HG2 ILE 19 2.393 -2.302 6.233 217 3HG2 ILE 19 3HG2 ILE 19 1.293 -1.056 6.824 218 1HD1 ILE 19 3HD1 ILE 19 -1.903 -3.715 6.335 219 2HD1 ILE 19 2HD1 ILE 19 -2.111 -2.119 5.613 220 3HD1 ILE 19 1HD1 ILE 19 -1.999 -3.547 4.583 221 QG1 ILE 19 QG1 ILE 19 0.200 -2.821 4.906 222 QG2 ILE 19 QG2 ILE 19 1.919 -1.838 7.006 223 QD1 ILE 19 QD1 ILE 19 -2.004 -3.127 5.510 224 H GLU 20 H GLU 20 -0.317 -5.751 8.900 225 HA GLU 20 HA GLU 20 -1.611 -7.722 7.172 226 1HB GLU 20 2HB GLU 20 -1.395 -7.034 10.059 227 2HB GLU 20 1HB GLU 20 -2.833 -7.938 9.582 228 1HG GLU 20 2HG GLU 20 -0.224 -8.873 8.486 229 2HG GLU 20 1HG GLU 20 -0.523 -9.160 10.201 230 QB GLU 20 QB GLU 20 -2.114 -7.486 9.820 231 QG GLU 20 QG GLU 20 -0.374 -9.017 9.344 232 H ALA 21 H ALA 21 -3.902 -7.870 6.792 233 HA ALA 21 HA ALA 21 -5.731 -5.765 7.671 234 1HB ALA 21 2HB ALA 21 -4.086 -5.001 5.701 235 2HB ALA 21 1HB ALA 21 -5.293 -5.825 4.713 236 3HB ALA 21 3HB ALA 21 -5.769 -4.477 5.747 237 QB ALA 21 QB ALA 21 -5.049 -5.101 5.387 238 H VAL 22 H VAL 22 -7.926 -6.159 6.849 239 HA VAL 22 HA VAL 22 -8.750 -8.843 6.788 240 HB VAL 22 HB VAL 22 -10.174 -6.892 7.277 241 1HG1 VAL 22 2HG1 VAL 22 -9.090 -5.530 5.362 242 2HG1 VAL 22 1HG1 VAL 22 -10.262 -6.325 4.313 243 3HG1 VAL 22 3HG1 VAL 22 -10.818 -5.306 5.641 244 1HG2 VAL 22 1HG2 VAL 22 -11.041 -8.632 4.955 245 2HG2 VAL 22 3HG2 VAL 22 -11.383 -8.874 6.669 246 3HG2 VAL 22 2HG2 VAL 22 -12.142 -7.542 5.798 247 QG1 VAL 22 QG1 VAL 22 -10.056 -5.720 5.105 248 QG2 VAL 22 QG2 VAL 22 -11.522 -8.349 5.807 249 QQG VAL 22 QQG VAL 22 -10.789 -7.035 5.456 250 H ASP 23 H ASP 23 -8.031 -6.663 4.074 251 HA ASP 23 HA ASP 23 -7.519 -8.954 2.294 252 1HB ASP 23 2HB ASP 23 -9.914 -7.136 2.143 253 2HB ASP 23 1HB ASP 23 -9.230 -7.788 0.654 254 QB ASP 23 QB ASP 23 -9.572 -7.462 1.399 255 H ALA 24 H ALA 24 -6.877 -7.980 0.030 256 HA ALA 24 HA ALA 24 -4.810 -6.042 0.416 257 1HB ALA 24 1HB ALA 24 -5.476 -7.843 -1.494 258 2HB ALA 24 3HB ALA 24 -6.027 -6.362 -2.281 259 3HB ALA 24 2HB ALA 24 -4.341 -6.521 -1.781 260 QB ALA 24 QB ALA 24 -5.281 -6.909 -1.852 261 H ALA 25 H ALA 25 -8.206 -5.749 -0.466 262 HA ALA 25 HA ALA 25 -8.281 -3.126 -1.516 263 1HB ALA 25 3HB ALA 25 -10.104 -5.042 -0.181 264 2HB ALA 25 2HB ALA 25 -10.615 -3.355 -0.114 265 3HB ALA 25 1HB ALA 25 -10.336 -4.130 -1.673 266 QB ALA 25 QB ALA 25 -10.351 -4.176 -0.656 267 H GLU 26 H GLU 26 -8.466 -4.264 1.855 268 HA GLU 26 HA GLU 26 -8.670 -1.626 3.043 269 1HB GLU 26 2HB GLU 26 -8.952 -4.261 3.834 270 2HB GLU 26 1HB GLU 26 -7.433 -3.808 4.609 271 1HG GLU 26 2HG GLU 26 -9.069 -3.200 6.198 272 2HG GLU 26 1HG GLU 26 -8.696 -1.681 5.382 273 QB GLU 26 QB GLU 26 -8.192 -4.035 4.221 274 QG GLU 26 QG GLU 26 -8.882 -2.441 5.790 275 H ALA 27 H ALA 27 -5.995 -3.912 2.471 276 HA ALA 27 HA ALA 27 -3.868 -2.443 3.658 277 1HB ALA 27 3HB ALA 27 -4.254 -4.563 1.635 278 2HB ALA 27 2HB ALA 27 -2.746 -3.663 1.460 279 3HB ALA 27 1HB ALA 27 -3.110 -4.491 2.976 280 QB ALA 27 QB ALA 27 -3.370 -4.239 2.024 281 H GLU 28 H GLU 28 -5.275 -2.248 0.387 282 HA GLU 28 HA GLU 28 -3.459 -0.349 -0.730 283 1HB GLU 28 2HB GLU 28 -5.344 -1.783 -1.791 284 2HB GLU 28 1HB GLU 28 -6.424 -0.474 -1.309 285 1HG GLU 28 2HG GLU 28 -4.682 1.071 -2.480 286 2HG GLU 28 1HG GLU 28 -4.143 -0.406 -3.279 287 QB GLU 28 QB GLU 28 -5.884 -1.129 -1.550 288 QG GLU 28 QG GLU 28 -4.412 0.333 -2.880 289 H LYS 29 H LYS 29 -6.423 0.062 1.215 290 HA LYS 29 HA LYS 29 -6.492 2.955 1.053 291 1HB LYS 29 2HB LYS 29 -7.623 0.865 2.928 292 2HB LYS 29 1HB LYS 29 -7.957 2.585 3.129 293 1HG LYS 29 2HG LYS 29 -8.462 2.220 0.445 294 2HG LYS 29 1HG LYS 29 -9.008 0.691 1.130 295 1HD LYS 29 2HD LYS 29 -10.890 2.187 1.179 296 2HD LYS 29 1HD LYS 29 -10.311 2.041 2.838 297 1HE LYS 29 2HE LYS 29 -10.455 4.355 2.699 298 2HE LYS 29 1HE LYS 29 -8.810 4.146 2.067 299 1HZ LYS 29 1HZ LYS 29 -9.853 3.860 -0.170 300 2HZ LYS 29 3HZ LYS 29 -11.327 4.358 0.506 301 3HZ LYS 29 2HZ LYS 29 -10.004 5.423 0.477 302 QB LYS 29 QB LYS 29 -7.790 1.725 3.029 303 QG LYS 29 QG LYS 29 -8.735 1.455 0.788 304 QD LYS 29 QD LYS 29 -10.601 2.114 2.008 305 QE LYS 29 QE LYS 29 -9.633 4.250 2.383 306 QZ LYS 29 QZ LYS 29 -10.395 4.547 0.271 307 H ILE 30 H ILE 30 -5.300 0.673 3.538 308 HA ILE 30 HA ILE 30 -4.232 2.594 5.364 309 HB ILE 30 HB ILE 30 -3.360 -0.238 4.663 310 1HG1 ILE 30 2HG1 ILE 30 -5.162 0.732 6.901 311 2HG1 ILE 30 1HG1 ILE 30 -5.766 0.098 5.370 312 1HG2 ILE 30 3HG2 ILE 30 -2.465 1.703 6.719 313 2HG2 ILE 30 2HG2 ILE 30 -2.798 0.075 7.310 314 3HG2 ILE 30 1HG2 ILE 30 -1.613 0.323 6.027 315 1HD1 ILE 30 1HD1 ILE 30 -4.048 -1.879 5.994 316 2HD1 ILE 30 3HD1 ILE 30 -4.447 -1.330 7.623 317 3HD1 ILE 30 2HD1 ILE 30 -5.726 -1.877 6.540 318 QG1 ILE 30 QG1 ILE 30 -5.464 0.415 6.135 319 QG2 ILE 30 QG2 ILE 30 -2.292 0.700 6.685 320 QD1 ILE 30 QD1 ILE 30 -4.740 -1.695 6.719 321 H PHE 31 H PHE 31 -2.896 1.052 2.474 322 HA PHE 31 HA PHE 31 -0.234 2.220 2.752 323 1HB PHE 31 2HB PHE 31 -1.805 0.645 0.729 324 2HB PHE 31 1HB PHE 31 -0.298 1.407 0.226 325 HD1 PHE 31 2HD PHE 31 1.475 1.179 2.481 326 HD2 PHE 31 1HD PHE 31 -1.456 -1.621 1.067 327 HE1 PHE 31 2HE PHE 31 2.752 -0.678 3.521 328 HE2 PHE 31 1HE PHE 31 -0.180 -3.479 2.106 329 1HZ PHE 31 HZ PHE 31 1.923 -3.006 3.332 330 QB PHE 31 QB PHE 31 -1.052 1.026 0.477 331 QG PHE 31 QD PHE 31 0.010 -0.221 1.774 332 QZ PHE 31 QE PHE 31 1.286 -2.078 2.813 333 QZ PHE 31 QR PHE 31 0.903 -1.521 2.501 334 H LYS 32 H LYS 32 -3.190 2.972 0.926 335 HA LYS 32 HA LYS 32 -2.024 5.197 -0.502 336 1HB LYS 32 2HB LYS 32 -4.780 4.075 -0.089 337 2HB LYS 32 1HB LYS 32 -4.543 5.590 -0.956 338 1HG LYS 32 2HG LYS 32 -2.948 4.444 -2.482 339 2HG LYS 32 1HG LYS 32 -3.287 2.921 -1.659 340 1HD LYS 32 2HD LYS 32 -4.800 2.793 -3.419 341 2HD LYS 32 1HD LYS 32 -5.802 3.571 -2.193 342 1HE LYS 32 2HE LYS 32 -4.891 5.805 -3.196 343 2HE LYS 32 1HE LYS 32 -4.471 4.805 -4.601 344 1HZ LYS 32 1HZ LYS 32 -7.140 4.712 -3.309 345 2HZ LYS 32 3HZ LYS 32 -6.792 5.755 -4.602 346 3HZ LYS 32 2HZ LYS 32 -6.685 4.073 -4.818 347 QB LYS 32 QB LYS 32 -4.662 4.833 -0.522 348 QG LYS 32 QG LYS 32 -3.117 3.682 -2.070 349 QD LYS 32 QD LYS 32 -5.301 3.182 -2.806 350 QE LYS 32 QE LYS 32 -4.681 5.305 -3.898 351 QZ LYS 32 QZ LYS 32 -6.872 4.847 -4.243 352 H GLN 33 H GLN 33 -2.735 4.912 2.741 353 HA GLN 33 HA GLN 33 -3.569 7.799 2.982 354 1HB GLN 33 2HB GLN 33 -3.857 5.320 4.694 355 2HB GLN 33 1HB GLN 33 -3.982 6.925 5.413 356 1HG GLN 33 2HG GLN 33 -5.600 7.045 3.116 357 2HG GLN 33 1HG GLN 33 -5.940 5.467 3.827 358 1HE2 GLN 33 2HE2 GLN 33 -6.987 8.866 5.871 359 2HE2 GLN 33 1HE2 GLN 33 -5.908 8.969 4.565 360 QB GLN 33 QB GLN 33 -3.920 6.123 5.054 361 QG GLN 33 QG GLN 33 -5.770 6.256 3.471 362 QE2 GLN 33 QE2 GLN 33 -6.447 8.917 5.218 363 H TYR 34 H TYR 34 -1.536 5.217 4.140 364 HA TYR 34 HA TYR 34 0.360 6.509 5.774 365 1HB TYR 34 2HB TYR 34 0.317 4.161 5.664 366 2HB TYR 34 1HB TYR 34 0.119 4.158 3.906 367 HD1 TYR 34 2HD TYR 34 2.634 5.191 6.529 368 HD2 TYR 34 1HD TYR 34 1.973 3.531 2.623 369 HE1 TYR 34 2HE TYR 34 5.073 4.816 6.275 370 HE2 TYR 34 1HE TYR 34 4.411 3.155 2.370 371 HH TYR 34 HH TYR 34 6.380 2.882 3.773 372 QB TYR 34 QB TYR 34 0.218 4.160 4.785 373 QG TYR 34 QD TYR 34 2.304 4.361 4.576 374 QZ TYR 34 QE TYR 34 4.742 3.985 4.322 375 QR TYR 34 QR TYR 34 3.523 4.173 4.449 376 H ALA 35 H ALA 35 0.323 6.015 2.229 377 HA ALA 35 HA ALA 35 2.807 7.350 1.627 378 1HB ALA 35 1HB ALA 35 0.302 6.560 0.144 379 2HB ALA 35 3HB ALA 35 1.531 7.536 -0.665 380 3HB ALA 35 2HB ALA 35 1.944 5.936 -0.040 381 QB ALA 35 QB ALA 35 1.259 6.677 -0.187 382 H ASN 36 H ASN 36 -0.569 8.463 1.162 383 HA ASN 36 HA ASN 36 0.007 11.159 0.485 384 1HB ASN 36 2HB ASN 36 -2.321 9.720 1.747 385 2HB ASN 36 1HB ASN 36 -2.392 11.452 1.415 386 1HD2 ASN 36 2HD2 ASN 36 -2.466 8.799 -1.704 387 2HD2 ASN 36 1HD2 ASN 36 -2.059 8.262 -0.147 388 QB ASN 36 QB ASN 36 -2.357 10.586 1.581 389 QD2 ASN 36 QD2 ASN 36 -2.263 8.531 -0.925 390 H ASP 37 H ASP 37 -0.748 9.753 3.688 391 HA ASP 37 HA ASP 37 -0.701 12.095 5.250 392 1HB ASP 37 2HB ASP 37 -1.341 9.785 5.957 393 2HB ASP 37 1HB ASP 37 0.368 9.351 5.963 394 QB ASP 37 QB ASP 37 -0.486 9.568 5.960 395 H ASN 38 H ASN 38 1.950 10.424 3.770 396 HA ASN 38 HA ASN 38 3.917 12.037 5.267 397 1HB ASN 38 2HB ASN 38 4.168 9.588 5.267 398 2HB ASN 38 1HB ASN 38 4.195 9.589 3.506 399 1HD2 ASN 38 2HD2 ASN 38 7.641 10.097 5.417 400 2HD2 ASN 38 1HD2 ASN 38 6.247 9.417 6.107 401 QB ASN 38 QB ASN 38 4.181 9.589 4.386 402 QD2 ASN 38 QD2 ASN 38 6.944 9.757 5.762 403 H GLY 39 H GLY 39 2.648 11.384 2.047 404 1HA GLY 39 2HA GLY 39 2.716 13.330 0.467 405 2HA GLY 39 1HA GLY 39 4.380 13.585 0.989 406 QA GLY 39 QA GLY 39 3.548 13.458 0.728 407 H ILE 40 H ILE 40 3.002 10.391 0.351 408 HA ILE 40 HA ILE 40 4.996 10.065 -1.845 409 HB ILE 40 HB ILE 40 3.642 8.311 0.178 410 1HG1 ILE 40 2HG1 ILE 40 6.024 7.494 0.378 411 2HG1 ILE 40 1HG1 ILE 40 6.465 8.754 -0.778 412 1HG2 ILE 40 2HG2 ILE 40 4.204 7.458 -2.552 413 2HG2 ILE 40 1HG2 ILE 40 5.134 6.534 -1.376 414 3HG2 ILE 40 3HG2 ILE 40 3.380 6.597 -1.252 415 1HD1 ILE 40 1HD1 ILE 40 4.840 9.429 1.652 416 2HD1 ILE 40 3HD1 ILE 40 6.597 9.289 1.771 417 3HD1 ILE 40 2HD1 ILE 40 5.876 10.479 0.682 418 QG1 ILE 40 QG1 ILE 40 6.244 8.124 -0.200 419 QG2 ILE 40 QG2 ILE 40 4.240 6.863 -1.726 420 QD1 ILE 40 QD1 ILE 40 5.771 9.732 1.368 421 H ASP 41 H ASP 41 3.458 11.376 -3.154 422 HA ASP 41 HA ASP 41 0.862 10.270 -3.930 423 1HB ASP 41 2HB ASP 41 2.706 12.414 -5.037 424 2HB ASP 41 1HB ASP 41 1.096 12.095 -5.681 425 QB ASP 41 QB ASP 41 1.901 12.255 -5.359 426 H GLY 42 H GLY 42 0.942 10.412 -6.715 427 1HA GLY 42 2HA GLY 42 2.343 9.528 -8.585 428 2HA GLY 42 1HA GLY 42 2.956 8.360 -7.428 429 QA GLY 42 QA GLY 42 2.650 8.944 -8.006 430 H GLU 43 H GLU 43 2.220 7.013 -9.435 431 HA GLU 43 HA GLU 43 -0.639 6.481 -9.702 432 1HB GLU 43 2HB GLU 43 1.510 6.081 -11.243 433 2HB GLU 43 1HB GLU 43 1.489 4.507 -10.444 434 1HG GLU 43 2HG GLU 43 -0.520 3.891 -11.400 435 2HG GLU 43 1HG GLU 43 -1.095 5.554 -11.518 436 QB GLU 43 QB GLU 43 1.499 5.294 -10.843 437 QG GLU 43 QG GLU 43 -0.807 4.723 -11.459 438 H TRP 44 H TRP 44 -1.177 3.920 -9.446 439 HA TRP 44 HA TRP 44 -0.045 2.764 -6.942 440 1HB TRP 44 2HB TRP 44 -2.730 4.052 -7.290 441 2HB TRP 44 1HB TRP 44 -2.645 2.581 -6.310 442 HD1 TRP 44 HD TRP 44 -1.482 6.214 -6.365 443 HE1 TRP 44 1HE TRP 44 -0.515 6.792 -4.042 444 HE3 TRP 44 3HE TRP 44 -1.530 1.591 -4.254 445 HZ2 TRP 44 2HZ TRP 44 0.156 5.445 -1.599 446 HZ3 TRP 44 3HZ TRP 44 -0.723 1.251 -1.928 447 HH2 TRP 44 HH TRP 44 0.122 3.170 -0.605 448 QB TRP 44 QB TRP 44 -2.687 3.317 -6.800 449 H THR 45 H THR 45 0.086 0.600 -7.240 450 HA THR 45 HA THR 45 -1.935 -0.775 -8.958 451 HB THR 45 HB THR 45 -0.253 -1.742 -10.341 452 HG1 THR 45 1HG THR 45 1.268 -2.342 -8.894 453 1HG2 THR 45 1HG2 THR 45 -0.632 0.687 -10.781 454 2HG2 THR 45 3HG2 THR 45 0.767 1.046 -9.766 455 3HG2 THR 45 2HG2 THR 45 0.973 0.138 -11.267 456 QG2 THR 45 QG2 THR 45 0.370 0.624 -10.605 457 H TYR 46 H TYR 46 -2.459 -2.776 -8.144 458 HA TYR 46 HA TYR 46 -1.083 -3.641 -5.649 459 1HB TYR 46 2HB TYR 46 -3.468 -3.390 -5.496 460 2HB TYR 46 1HB TYR 46 -3.723 -4.292 -6.993 461 HD1 TYR 46 2HD TYR 46 -1.783 -4.847 -3.826 462 HD2 TYR 46 1HD TYR 46 -4.614 -6.420 -6.643 463 HE1 TYR 46 2HE TYR 46 -1.881 -6.961 -2.542 464 HE2 TYR 46 1HE TYR 46 -4.707 -8.543 -5.363 465 HH TYR 46 HH TYR 46 -4.229 -9.142 -2.764 466 QB TYR 46 QB TYR 46 -3.596 -3.841 -6.245 467 QG TYR 46 QD TYR 46 -3.199 -5.634 -5.234 468 QZ TYR 46 QE TYR 46 -3.294 -7.752 -3.952 469 QR TYR 46 QR TYR 46 -3.246 -6.693 -4.593 470 H ASP 47 H ASP 47 -0.179 -5.736 -5.475 471 HA ASP 47 HA ASP 47 0.199 -7.205 -8.065 472 1HB ASP 47 2HB ASP 47 1.980 -7.010 -5.611 473 2HB ASP 47 1HB ASP 47 2.367 -7.888 -7.088 474 QB ASP 47 QB ASP 47 2.174 -7.449 -6.349 475 H ASP 48 H ASP 48 -1.429 -8.763 -7.880 476 HA ASP 48 HA ASP 48 -2.117 -10.103 -5.409 477 1HB ASP 48 2HB ASP 48 -3.566 -9.751 -7.433 478 2HB ASP 48 1HB ASP 48 -2.591 -10.954 -8.279 479 QB ASP 48 QB ASP 48 -3.079 -10.353 -7.856 480 H ALA 49 H ALA 49 0.625 -10.444 -7.348 481 HA ALA 49 HA ALA 49 0.936 -13.355 -6.964 482 1HB ALA 49 3HB ALA 49 2.601 -11.158 -8.236 483 2HB ALA 49 2HB ALA 49 3.073 -12.858 -8.220 484 3HB ALA 49 1HB ALA 49 1.614 -12.357 -9.074 485 QB ALA 49 QB ALA 49 2.429 -12.124 -8.510 486 H THR 50 H THR 50 1.999 -10.298 -5.589 487 HA THR 50 HA THR 50 3.623 -11.816 -3.577 488 HB THR 50 HB THR 50 5.127 -9.827 -3.604 489 HG1 THR 50 1HG THR 50 4.781 -8.356 -5.359 490 1HG2 THR 50 2HG2 THR 50 5.264 -11.886 -5.217 491 2HG2 THR 50 1HG2 THR 50 4.804 -10.716 -6.454 492 3HG2 THR 50 3HG2 THR 50 6.284 -10.481 -5.524 493 QG2 THR 50 QG2 THR 50 5.450 -11.027 -5.732 494 H LYS 51 H LYS 51 0.800 -10.178 -3.963 495 HA LYS 51 HA LYS 51 -0.614 -8.967 -2.517 496 1HB LYS 51 2HB LYS 51 1.332 -10.121 -0.486 497 2HB LYS 51 1HB LYS 51 -0.289 -9.530 -0.133 498 1HG LYS 51 2HG LYS 51 -0.320 -11.478 -2.308 499 2HG LYS 51 1HG LYS 51 0.409 -12.151 -0.851 500 1HD LYS 51 2HD LYS 51 -2.070 -10.567 -0.451 501 2HD LYS 51 1HD LYS 51 -2.263 -12.111 -1.276 502 1HE LYS 51 2HE LYS 51 -0.480 -12.390 1.015 503 2HE LYS 51 1HE LYS 51 -2.057 -11.737 1.501 504 1HZ LYS 51 2HZ LYS 51 -3.088 -13.475 0.079 505 2HZ LYS 51 1HZ LYS 51 -1.551 -14.169 -0.128 506 3HZ LYS 51 3HZ LYS 51 -2.247 -14.101 1.417 507 QB LYS 51 QB LYS 51 0.522 -9.825 -0.310 508 QG LYS 51 QG LYS 51 0.045 -11.814 -1.580 509 QD LYS 51 QD LYS 51 -2.167 -11.339 -0.863 510 QE LYS 51 QE LYS 51 -1.268 -12.063 1.258 511 QZ LYS 51 QZ LYS 51 -2.295 -13.915 0.456 512 H THR 52 H THR 52 1.549 -7.493 -3.721 513 HA THR 52 HA THR 52 2.060 -5.460 -1.563 514 HB THR 52 HB THR 52 3.893 -6.342 -3.817 515 HG1 THR 52 1HG THR 52 4.360 -7.858 -2.464 516 1HG2 THR 52 3HG2 THR 52 4.120 -4.306 -1.606 517 2HG2 THR 52 2HG2 THR 52 5.555 -5.030 -2.332 518 3HG2 THR 52 1HG2 THR 52 4.437 -4.098 -3.328 519 QG2 THR 52 QG2 THR 52 4.704 -4.478 -2.422 520 H PHE 53 H PHE 53 1.783 -3.297 -2.200 521 HA PHE 53 HA PHE 53 0.532 -2.876 -4.857 522 1HB PHE 53 2HB PHE 53 0.719 -1.254 -2.307 523 2HB PHE 53 1HB PHE 53 -0.093 -0.673 -3.761 524 HD1 PHE 53 2HD PHE 53 -0.056 -3.525 -1.325 525 HD2 PHE 53 1HD PHE 53 -2.336 -1.290 -4.209 526 HE1 PHE 53 2HE PHE 53 -2.104 -4.776 -0.687 527 HE2 PHE 53 1HE PHE 53 -4.371 -2.543 -3.565 528 1HZ PHE 53 HZ PHE 53 -4.256 -4.283 -1.806 529 QB PHE 53 QB PHE 53 0.313 -0.964 -3.034 530 QG PHE 53 QD PHE 53 -1.196 -2.407 -2.767 531 QZ PHE 53 QE PHE 53 -3.238 -3.660 -2.126 532 QZ PHE 53 QR PHE 53 -2.625 -3.283 -2.319 533 H THR 54 H THR 54 1.202 -0.160 -5.381 534 HA THR 54 HA THR 54 4.105 0.187 -5.099 535 HB THR 54 HB THR 54 2.837 -0.358 -7.806 536 HG1 THR 54 1HG THR 54 4.052 -2.272 -7.705 537 1HG2 THR 54 1HG2 THR 54 5.546 0.504 -6.875 538 2HG2 THR 54 3HG2 THR 54 5.436 -0.553 -8.282 539 3HG2 THR 54 2HG2 THR 54 4.634 1.018 -8.295 540 QG2 THR 54 QG2 THR 54 5.205 0.323 -7.817 541 H VAL 55 H VAL 55 4.172 2.347 -4.732 542 HA VAL 55 HA VAL 55 2.239 4.066 -6.212 543 HB VAL 55 HB VAL 55 1.744 4.271 -3.923 544 1HG1 VAL 55 3HG1 VAL 55 3.674 3.051 -3.043 545 2HG1 VAL 55 2HG1 VAL 55 4.705 4.470 -3.322 546 3HG1 VAL 55 1HG1 VAL 55 3.395 4.545 -2.142 547 1HG2 VAL 55 2HG2 VAL 55 2.120 6.480 -5.040 548 2HG2 VAL 55 1HG2 VAL 55 2.341 6.524 -3.288 549 3HG2 VAL 55 3HG2 VAL 55 3.746 6.500 -4.358 550 QG1 VAL 55 QG1 VAL 55 3.925 4.022 -2.836 551 QG2 VAL 55 QG2 VAL 55 2.735 6.502 -4.229 552 QQG VAL 55 QQG VAL 55 3.330 5.262 -3.532 553 H THR 56 H THR 56 3.163 4.917 -7.918 554 HA THR 56 HA THR 56 6.072 5.520 -7.947 555 HB THR 56 HB THR 56 3.903 4.717 -9.785 556 HG1 THR 56 1HG THR 56 5.551 3.556 -10.637 557 1HG2 THR 56 2HG2 THR 56 5.873 6.820 -10.668 558 2HG2 THR 56 1HG2 THR 56 5.232 5.632 -11.805 559 3HG2 THR 56 3HG2 THR 56 4.129 6.732 -10.967 560 QG2 THR 56 QG2 THR 56 5.078 6.395 -11.146 561 H GLU 57 H GLU 57 6.016 7.465 -6.627 562 HA GLU 57 HA GLU 57 4.313 9.726 -7.017 563 1HB GLU 57 2HB GLU 57 5.834 9.286 -5.086 564 2HB GLU 57 1HB GLU 57 7.220 9.611 -6.130 565 1HG GLU 57 2HG GLU 57 6.249 11.886 -6.592 566 2HG GLU 57 1HG GLU 57 5.020 11.551 -5.370 567 QB GLU 57 QB GLU 57 6.527 9.448 -5.608 568 QG GLU 57 QG GLU 57 5.634 11.719 -5.981 No H/Q in entry = 568 Start of MODEL 23 1 1H MET 1 1HT MET 1 -2.888 -15.063 6.861 2 2H MET 1 3HT MET 1 -1.790 -15.645 8.016 3 3H MET 1 2HT MET 1 -2.195 -13.996 7.988 4 HA MET 1 HA MET 1 -0.053 -14.178 6.997 5 1HB MET 1 2HB MET 1 0.257 -15.826 5.151 6 2HB MET 1 1HB MET 1 -0.215 -16.605 6.659 7 1HG MET 1 2HG MET 1 -2.462 -16.910 5.916 8 2HG MET 1 1HG MET 1 -2.240 -15.805 4.559 9 1HE MET 1 2HE MET 1 -3.566 -18.236 4.611 10 2HE MET 1 1HE MET 1 -3.103 -19.048 3.118 11 3HE MET 1 3HE MET 1 -2.689 -19.763 4.681 12 QB MET 1 QB MET 1 0.021 -16.215 5.905 13 QG MET 1 QG MET 1 -2.351 -16.357 5.238 14 QE MET 1 QE MET 1 -3.119 -19.016 4.137 15 H THR 2 H THR 2 -2.033 -12.305 6.695 16 HA THR 2 HA THR 2 -2.261 -11.894 3.730 17 HB THR 2 HB THR 2 -3.928 -10.797 6.018 18 HG1 THR 2 1HG THR 2 -5.446 -12.324 5.275 19 1HG2 THR 2 2HG2 THR 2 -3.862 -10.358 3.089 20 2HG2 THR 2 1HG2 THR 2 -5.462 -10.626 3.781 21 3HG2 THR 2 3HG2 THR 2 -4.455 -9.306 4.374 22 QG2 THR 2 QG2 THR 2 -4.593 -10.097 3.748 23 H THR 3 H THR 3 0.134 -11.183 5.153 24 HA THR 3 HA THR 3 0.080 -8.358 5.879 25 HB THR 3 HB THR 3 2.467 -10.054 5.119 26 HG1 THR 3 1HG THR 3 2.304 -11.069 6.996 27 1HG2 THR 3 3HG2 THR 3 2.418 -7.471 5.804 28 2HG2 THR 3 2HG2 THR 3 2.370 -8.164 7.427 29 3HG2 THR 3 1HG2 THR 3 3.708 -8.547 6.344 30 QG2 THR 3 QG2 THR 3 2.832 -8.061 6.525 31 H PHE 4 H PHE 4 -0.508 -7.010 4.181 32 HA PHE 4 HA PHE 4 0.504 -7.439 1.451 33 1HB PHE 4 2HB PHE 4 -1.234 -5.404 2.862 34 2HB PHE 4 1HB PHE 4 -0.795 -5.235 1.163 35 HD1 PHE 4 1HD PHE 4 -1.156 -7.403 -0.310 36 HD2 PHE 4 2HD PHE 4 -3.154 -6.612 3.409 37 HE1 PHE 4 1HE PHE 4 -2.946 -8.999 -0.933 38 HE2 PHE 4 2HE PHE 4 -4.942 -8.208 2.784 39 1HZ PHE 4 HZ PHE 4 -4.838 -9.404 0.615 40 QB PHE 4 QB PHE 4 -1.015 -5.319 2.012 41 QG PHE 4 QD PHE 4 -2.155 -7.007 1.549 42 QZ PHE 4 QE PHE 4 -3.944 -8.604 0.925 43 QZ PHE 4 QR PHE 4 -3.407 -8.125 1.113 44 H LYS 5 H LYS 5 2.341 -6.491 0.647 45 HA LYS 5 HA LYS 5 3.800 -4.536 2.364 46 1HB LYS 5 2HB LYS 5 4.581 -6.157 -0.087 47 2HB LYS 5 1HB LYS 5 5.684 -5.153 0.852 48 1HG LYS 5 2HG LYS 5 6.069 -7.148 1.926 49 2HG LYS 5 1HG LYS 5 4.659 -6.632 2.853 50 1HD LYS 5 2HD LYS 5 3.216 -8.078 1.716 51 2HD LYS 5 1HD LYS 5 4.280 -8.196 0.314 52 1HE LYS 5 2HE LYS 5 5.939 -9.435 1.755 53 2HE LYS 5 1HE LYS 5 4.719 -9.454 3.044 54 1HZ LYS 5 1HZ LYS 5 3.157 -10.462 1.472 55 2HZ LYS 5 3HZ LYS 5 4.367 -10.508 0.285 56 3HZ LYS 5 2HZ LYS 5 4.526 -11.442 1.695 57 QB LYS 5 QB LYS 5 5.132 -5.655 0.382 58 QG LYS 5 QG LYS 5 5.364 -6.890 2.390 59 QD LYS 5 QD LYS 5 3.748 -8.137 1.015 60 QE LYS 5 QE LYS 5 5.329 -9.444 2.399 61 QZ LYS 5 QZ LYS 5 4.017 -10.804 1.151 62 H LEU 6 H LEU 6 5.013 -2.790 0.980 63 HA LEU 6 HA LEU 6 3.398 -1.895 -1.365 64 1HB LEU 6 2HB LEU 6 2.396 -0.901 0.637 65 2HB LEU 6 1HB LEU 6 3.971 -0.315 1.168 66 HG LEU 6 HG LEU 6 4.081 0.997 -1.016 67 1HD1 LEU 6 1HD1 LEU 6 1.215 0.037 -1.089 68 2HD1 LEU 6 3HD1 LEU 6 1.752 1.470 -1.965 69 3HD1 LEU 6 2HD1 LEU 6 2.440 -0.108 -2.350 70 1HD2 LEU 6 1HD2 LEU 6 3.209 1.749 1.380 71 2HD2 LEU 6 3HD2 LEU 6 3.071 2.828 -0.008 72 3HD2 LEU 6 2HD2 LEU 6 1.674 1.893 0.526 73 QB LEU 6 QB LEU 6 3.183 -0.608 0.903 74 QD1 LEU 6 QD1 LEU 6 1.802 0.467 -1.801 75 QD2 LEU 6 QD2 LEU 6 2.651 2.157 0.633 76 QQD LEU 6 QQD LEU 6 2.227 1.312 -0.584 77 H ILE 7 H ILE 7 5.062 -1.913 -2.864 78 HA ILE 7 HA ILE 7 7.776 -1.027 -2.178 79 HB ILE 7 HB ILE 7 6.413 -1.764 -4.798 80 1HG1 ILE 7 2HG1 ILE 7 8.238 -3.404 -3.010 81 2HG1 ILE 7 1HG1 ILE 7 6.482 -3.568 -3.053 82 1HG2 ILE 7 1HG2 ILE 7 9.221 -1.036 -4.051 83 2HG2 ILE 7 3HG2 ILE 7 8.978 -2.282 -5.276 84 3HG2 ILE 7 2HG2 ILE 7 8.322 -0.663 -5.523 85 1HD1 ILE 7 1HD1 ILE 7 7.916 -3.691 -5.661 86 2HD1 ILE 7 3HD1 ILE 7 8.087 -5.077 -4.585 87 3HD1 ILE 7 2HD1 ILE 7 6.486 -4.571 -5.122 88 QG1 ILE 7 QG1 ILE 7 7.360 -3.486 -3.031 89 QG2 ILE 7 QG2 ILE 7 8.840 -1.327 -4.950 90 QD1 ILE 7 QD1 ILE 7 7.496 -4.446 -5.123 91 H ILE 8 H ILE 8 8.116 1.151 -1.999 92 HA ILE 8 HA ILE 8 6.302 3.030 -3.358 93 HB ILE 8 HB ILE 8 8.776 3.711 -1.771 94 1HG1 ILE 8 2HG1 ILE 8 7.114 2.011 -0.579 95 2HG1 ILE 8 1HG1 ILE 8 7.756 3.377 0.298 96 1HG2 ILE 8 2HG2 ILE 8 6.177 5.087 -2.431 97 2HG2 ILE 8 1HG2 ILE 8 7.239 5.664 -1.138 98 3HG2 ILE 8 3HG2 ILE 8 7.827 5.607 -2.801 99 1HD1 ILE 8 1HD1 ILE 8 5.265 4.034 -1.087 100 2HD1 ILE 8 3HD1 ILE 8 5.074 2.705 0.049 101 3HD1 ILE 8 2HD1 ILE 8 5.700 4.258 0.602 102 QG1 ILE 8 QG1 ILE 8 7.435 2.694 -0.140 103 QG2 ILE 8 QG2 ILE 8 7.081 5.453 -2.123 104 QD1 ILE 8 QD1 ILE 8 5.346 3.666 -0.145 105 H ASN 9 H ASN 9 6.755 3.502 -5.488 106 HA ASN 9 HA ASN 9 9.590 3.443 -6.417 107 1HB ASN 9 2HB ASN 9 7.835 2.105 -7.563 108 2HB ASN 9 1HB ASN 9 6.956 3.593 -7.915 109 1HD2 ASN 9 2HD2 ASN 9 8.966 4.405 -10.695 110 2HD2 ASN 9 1HD2 ASN 9 7.604 4.782 -9.755 111 QB ASN 9 QB ASN 9 7.395 2.849 -7.739 112 QD2 ASN 9 QD2 ASN 9 8.285 4.594 -10.225 113 H GLY 10 H GLY 10 9.896 5.590 -5.223 114 1HA GLY 10 2HA GLY 10 9.656 7.788 -7.112 115 2HA GLY 10 1HA GLY 10 8.604 7.994 -5.712 116 QA GLY 10 QA GLY 10 9.130 7.891 -6.412 117 H LYS 11 H LYS 11 9.842 9.816 -4.980 118 HA LYS 11 HA LYS 11 12.610 9.177 -4.029 119 1HB LYS 11 2HB LYS 11 12.886 11.651 -4.067 120 2HB LYS 11 1HB LYS 11 12.406 11.021 -5.641 121 1HG LYS 11 2HG LYS 11 10.145 11.745 -5.346 122 2HG LYS 11 1HG LYS 11 10.404 12.079 -3.634 123 1HD LYS 11 2HD LYS 11 12.151 13.788 -4.367 124 2HD LYS 11 1HD LYS 11 11.526 13.585 -6.004 125 1HE LYS 11 2HE LYS 11 9.226 14.154 -5.114 126 2HE LYS 11 1HE LYS 11 10.000 14.572 -3.572 127 1HZ LYS 11 2HZ LYS 11 11.529 16.021 -4.855 128 2HZ LYS 11 1HZ LYS 11 10.586 15.739 -6.240 129 3HZ LYS 11 3HZ LYS 11 9.912 16.539 -4.904 130 QB LYS 11 QB LYS 11 12.646 11.336 -4.854 131 QG LYS 11 QG LYS 11 10.275 11.912 -4.490 132 QD LYS 11 QD LYS 11 11.838 13.686 -5.185 133 QE LYS 11 QE LYS 11 9.613 14.363 -4.343 134 QZ LYS 11 QZ LYS 11 10.675 16.100 -5.333 135 H THR 12 H THR 12 9.407 10.229 -3.040 136 HA THR 12 HA THR 12 10.201 11.009 -0.331 137 HB THR 12 HB THR 12 7.623 10.947 -0.111 138 HG1 THR 12 1HG THR 12 7.481 9.471 -1.949 139 1HG2 THR 12 2HG2 THR 12 9.154 12.932 -0.749 140 2HG2 THR 12 1HG2 THR 12 8.602 12.646 -2.400 141 3HG2 THR 12 3HG2 THR 12 7.439 13.061 -1.141 142 QG2 THR 12 QG2 THR 12 8.399 12.880 -1.430 143 H LEU 13 H LEU 13 11.098 9.299 0.794 144 HA LEU 13 HA LEU 13 11.179 7.306 2.010 145 1HB LEU 13 2HB LEU 13 9.248 7.088 3.194 146 2HB LEU 13 1HB LEU 13 8.614 8.375 2.182 147 HG LEU 13 HG LEU 13 7.964 6.450 0.556 148 1HD1 LEU 13 3HD1 LEU 13 8.652 5.023 3.107 149 2HD1 LEU 13 2HD1 LEU 13 7.341 4.411 2.097 150 3HD1 LEU 13 1HD1 LEU 13 8.974 4.537 1.442 151 1HD2 LEU 13 3HD2 LEU 13 6.590 7.886 2.404 152 2HD2 LEU 13 2HD2 LEU 13 5.835 6.672 1.373 153 3HD2 LEU 13 1HD2 LEU 13 6.315 6.256 3.017 154 QB LEU 13 QB LEU 13 8.931 7.731 2.688 155 QD1 LEU 13 QD1 LEU 13 8.322 4.657 2.215 156 QD2 LEU 13 QD2 LEU 13 6.247 6.938 2.265 157 QQD LEU 13 QQD LEU 13 7.284 5.798 2.240 158 H LYS 14 H LYS 14 11.725 5.207 1.423 159 HA LYS 14 HA LYS 14 10.534 4.062 -1.019 160 1HB LYS 14 2HB LYS 14 13.475 4.484 -0.457 161 2HB LYS 14 1HB LYS 14 12.844 3.582 -1.835 162 1HG LYS 14 2HG LYS 14 11.539 5.657 -2.473 163 2HG LYS 14 1HG LYS 14 12.444 6.521 -1.228 164 1HD LYS 14 2HD LYS 14 13.613 6.880 -3.293 165 2HD LYS 14 1HD LYS 14 14.567 5.720 -2.370 166 1HE LYS 14 2HE LYS 14 12.555 4.377 -4.018 167 2HE LYS 14 1HE LYS 14 13.665 5.362 -4.991 168 1HZ LYS 14 3HZ LYS 14 14.572 3.547 -2.826 169 2HZ LYS 14 2HZ LYS 14 14.497 3.078 -4.457 170 3HZ LYS 14 1HZ LYS 14 15.531 4.338 -3.979 171 QB LYS 14 QB LYS 14 13.159 4.033 -1.146 172 QG LYS 14 QG LYS 14 11.992 6.089 -1.851 173 QD LYS 14 QD LYS 14 14.090 6.300 -2.831 174 QE LYS 14 QE LYS 14 13.110 4.870 -4.504 175 QZ LYS 14 QZ LYS 14 14.867 3.654 -3.754 176 H GLY 15 H GLY 15 10.266 1.845 -0.894 177 1HA GLY 15 2HA GLY 15 11.450 -0.286 -0.062 178 2HA GLY 15 1HA GLY 15 11.412 0.497 1.517 179 QA GLY 15 QA GLY 15 11.431 0.105 0.727 180 H GLU 16 H GLU 16 10.185 -1.530 2.069 181 HA GLU 16 HA GLU 16 7.272 -1.269 1.376 182 1HB GLU 16 2HB GLU 16 9.014 -3.678 1.985 183 2HB GLU 16 1HB GLU 16 7.266 -3.755 1.763 184 1HG GLU 16 2HG GLU 16 7.881 -4.169 -0.410 185 2HG GLU 16 1HG GLU 16 7.917 -2.406 -0.474 186 QB GLU 16 QB GLU 16 8.140 -3.716 1.874 187 QG GLU 16 QG GLU 16 7.899 -3.288 -0.442 188 H ILE 17 H ILE 17 5.802 -1.842 3.154 189 HA ILE 17 HA ILE 17 7.045 -1.463 5.860 190 HB ILE 17 HB ILE 17 4.295 -0.711 4.818 191 1HG1 ILE 17 2HG1 ILE 17 5.504 1.631 5.455 192 2HG1 ILE 17 1HG1 ILE 17 6.910 0.698 4.940 193 1HG2 ILE 17 3HG2 ILE 17 5.615 -0.608 7.495 194 2HG2 ILE 17 2HG2 ILE 17 4.582 0.747 7.040 195 3HG2 ILE 17 1HG2 ILE 17 3.922 -0.887 7.090 196 1HD1 ILE 17 2HD1 ILE 17 5.195 0.049 2.956 197 2HD1 ILE 17 1HD1 ILE 17 4.588 1.656 3.353 198 3HD1 ILE 17 3HD1 ILE 17 6.270 1.444 2.870 199 QG1 ILE 17 QG1 ILE 17 6.207 1.165 5.197 200 QG2 ILE 17 QG2 ILE 17 4.706 -0.249 7.208 201 QD1 ILE 17 QD1 ILE 17 5.351 1.050 3.060 202 H THR 18 H THR 18 5.129 -3.569 3.886 203 HA THR 18 HA THR 18 3.883 -5.516 4.339 204 HB THR 18 HB THR 18 5.103 -7.016 5.867 205 HG1 THR 18 1HG THR 18 6.700 -6.232 7.162 206 1HG2 THR 18 3HG2 THR 18 6.417 -5.382 3.795 207 2HG2 THR 18 2HG2 THR 18 7.527 -6.202 4.892 208 3HG2 THR 18 1HG2 THR 18 6.346 -7.135 3.974 209 QG2 THR 18 QG2 THR 18 6.763 -6.240 4.220 210 H ILE 19 H ILE 19 1.853 -4.783 5.061 211 HA ILE 19 HA ILE 19 1.493 -4.756 8.040 212 HB ILE 19 HB ILE 19 -0.135 -2.930 7.719 213 1HG1 ILE 19 2HG1 ILE 19 0.311 -1.926 5.183 214 2HG1 ILE 19 1HG1 ILE 19 0.260 -3.662 4.886 215 1HG2 ILE 19 2HG2 ILE 19 2.589 -2.485 6.470 216 2HG2 ILE 19 1HG2 ILE 19 1.497 -1.180 6.934 217 3HG2 ILE 19 3HG2 ILE 19 2.144 -2.266 8.163 218 1HD1 ILE 19 3HD1 ILE 19 -1.871 -3.570 6.432 219 2HD1 ILE 19 2HD1 ILE 19 -1.884 -1.866 5.977 220 3HD1 ILE 19 1HD1 ILE 19 -1.999 -3.110 4.733 221 QG1 ILE 19 QG1 ILE 19 0.285 -2.794 5.035 222 QG2 ILE 19 QG2 ILE 19 2.076 -1.977 7.189 223 QD1 ILE 19 QD1 ILE 19 -1.918 -2.849 5.714 224 H GLU 20 H GLU 20 -0.114 -6.099 8.749 225 HA GLU 20 HA GLU 20 -1.557 -7.789 6.852 226 1HB GLU 20 2HB GLU 20 -1.174 -7.505 9.796 227 2HB GLU 20 1HB GLU 20 -2.626 -8.353 9.265 228 1HG GLU 20 2HG GLU 20 -1.364 -9.988 8.078 229 2HG GLU 20 1HG GLU 20 0.114 -9.029 8.183 230 QB GLU 20 QB GLU 20 -1.900 -7.929 9.530 231 QG GLU 20 QG GLU 20 -0.625 -9.508 8.131 232 H ALA 21 H ALA 21 -3.919 -7.916 6.756 233 HA ALA 21 HA ALA 21 -5.586 -5.842 7.957 234 1HB ALA 21 2HB ALA 21 -4.692 -5.714 5.064 235 2HB ALA 21 1HB ALA 21 -6.105 -4.842 5.662 236 3HB ALA 21 3HB ALA 21 -4.505 -4.473 6.304 237 QB ALA 21 QB ALA 21 -5.101 -5.010 5.677 238 H VAL 22 H VAL 22 -7.864 -5.998 7.028 239 HA VAL 22 HA VAL 22 -8.869 -8.621 7.023 240 HB VAL 22 HB VAL 22 -10.170 -6.573 7.441 241 1HG1 VAL 22 1HG1 VAL 22 -8.926 -5.411 5.419 242 2HG1 VAL 22 3HG1 VAL 22 -10.294 -6.024 4.493 243 3HG1 VAL 22 2HG1 VAL 22 -10.567 -4.926 5.844 244 1HG2 VAL 22 2HG2 VAL 22 -11.294 -8.686 6.619 245 2HG2 VAL 22 1HG2 VAL 22 -12.193 -7.206 6.283 246 3HG2 VAL 22 3HG2 VAL 22 -11.273 -7.990 4.998 247 QG1 VAL 22 QG1 VAL 22 -9.929 -5.453 5.252 248 QG2 VAL 22 QG2 VAL 22 -11.587 -7.961 5.967 249 QQG VAL 22 QQG VAL 22 -10.758 -6.707 5.609 250 H ASP 23 H ASP 23 -7.813 -6.611 4.312 251 HA ASP 23 HA ASP 23 -7.404 -8.931 2.596 252 1HB ASP 23 2HB ASP 23 -9.101 -8.182 0.899 253 2HB ASP 23 1HB ASP 23 -9.828 -8.722 2.409 254 QB ASP 23 QB ASP 23 -9.464 -8.452 1.654 255 H ALA 24 H ALA 24 -6.742 -8.060 0.299 256 HA ALA 24 HA ALA 24 -4.663 -6.124 0.612 257 1HB ALA 24 1HB ALA 24 -5.226 -7.996 -1.197 258 2HB ALA 24 3HB ALA 24 -5.952 -6.631 -2.046 259 3HB ALA 24 2HB ALA 24 -4.238 -6.596 -1.622 260 QB ALA 24 QB ALA 24 -5.139 -7.074 -1.622 261 H ALA 25 H ALA 25 -8.045 -5.839 -0.338 262 HA ALA 25 HA ALA 25 -8.082 -3.255 -1.477 263 1HB ALA 25 2HB ALA 25 -9.918 -5.050 -1.207 264 2HB ALA 25 1HB ALA 25 -10.182 -4.360 0.395 265 3HB ALA 25 3HB ALA 25 -10.423 -3.368 -1.044 266 QB ALA 25 QB ALA 25 -10.174 -4.259 -0.619 267 H GLU 26 H GLU 26 -8.322 -4.260 1.933 268 HA GLU 26 HA GLU 26 -8.558 -1.584 3.019 269 1HB GLU 26 2HB GLU 26 -9.184 -3.811 4.086 270 2HB GLU 26 1HB GLU 26 -7.461 -4.096 4.328 271 1HG GLU 26 2HG GLU 26 -7.849 -3.055 6.327 272 2HG GLU 26 1HG GLU 26 -7.673 -1.592 5.358 273 QB GLU 26 QB GLU 26 -8.322 -3.954 4.207 274 QG GLU 26 QG GLU 26 -7.761 -2.324 5.843 275 H ALA 27 H ALA 27 -5.840 -3.841 2.533 276 HA ALA 27 HA ALA 27 -3.740 -2.329 3.698 277 1HB ALA 27 2HB ALA 27 -4.090 -4.467 1.686 278 2HB ALA 27 1HB ALA 27 -2.595 -3.547 1.510 279 3HB ALA 27 3HB ALA 27 -2.952 -4.370 3.030 280 QB ALA 27 QB ALA 27 -3.212 -4.128 2.075 281 H GLU 28 H GLU 28 -5.039 -2.236 0.366 282 HA GLU 28 HA GLU 28 -3.278 -0.264 -0.705 283 1HB GLU 28 2HB GLU 28 -5.098 -1.807 -1.781 284 2HB GLU 28 1HB GLU 28 -6.206 -0.486 -1.409 285 1HG GLU 28 2HG GLU 28 -4.474 1.035 -2.587 286 2HG GLU 28 1HG GLU 28 -3.806 -0.454 -3.250 287 QB GLU 28 QB GLU 28 -5.652 -1.146 -1.595 288 QG GLU 28 QG GLU 28 -4.140 0.291 -2.918 289 H LYS 29 H LYS 29 -6.282 0.028 1.182 290 HA LYS 29 HA LYS 29 -6.521 2.912 0.952 291 1HB LYS 29 2HB LYS 29 -7.529 0.841 2.929 292 2HB LYS 29 1HB LYS 29 -8.026 2.532 2.963 293 1HG LYS 29 2HG LYS 29 -8.235 1.270 0.303 294 2HG LYS 29 1HG LYS 29 -9.294 0.563 1.521 295 1HD LYS 29 2HD LYS 29 -10.673 2.280 0.891 296 2HD LYS 29 1HD LYS 29 -9.699 3.181 2.051 297 1HE LYS 29 2HE LYS 29 -8.621 4.378 0.411 298 2HE LYS 29 1HE LYS 29 -8.606 3.005 -0.716 299 1HZ LYS 29 2HZ LYS 29 -11.047 3.259 -0.903 300 2HZ LYS 29 1HZ LYS 29 -10.946 4.684 0.017 301 3HZ LYS 29 3HZ LYS 29 -10.193 4.601 -1.500 302 QB LYS 29 QB LYS 29 -7.778 1.687 2.946 303 QG LYS 29 QG LYS 29 -8.764 0.917 0.912 304 QD LYS 29 QD LYS 29 -10.186 2.731 1.471 305 QE LYS 29 QE LYS 29 -8.613 3.691 -0.152 306 QZ LYS 29 QZ LYS 29 -10.728 4.181 -0.795 307 H ILE 30 H ILE 30 -5.307 0.764 3.545 308 HA ILE 30 HA ILE 30 -4.332 2.763 5.327 309 HB ILE 30 HB ILE 30 -3.329 -0.044 4.697 310 1HG1 ILE 30 2HG1 ILE 30 -5.090 0.744 7.011 311 2HG1 ILE 30 1HG1 ILE 30 -5.799 0.416 5.431 312 1HG2 ILE 30 3HG2 ILE 30 -2.752 1.888 6.940 313 2HG2 ILE 30 2HG2 ILE 30 -2.659 0.147 7.211 314 3HG2 ILE 30 1HG2 ILE 30 -1.620 0.910 6.007 315 1HD1 ILE 30 3HD1 ILE 30 -3.814 -1.575 6.383 316 2HD1 ILE 30 2HD1 ILE 30 -5.332 -1.516 7.282 317 3HD1 ILE 30 1HD1 ILE 30 -5.348 -1.823 5.545 318 QG1 ILE 30 QG1 ILE 30 -5.444 0.580 6.221 319 QG2 ILE 30 QG2 ILE 30 -2.344 0.982 6.719 320 QD1 ILE 30 QD1 ILE 30 -4.832 -1.638 6.403 321 H PHE 31 H PHE 31 -2.856 1.153 2.541 322 HA PHE 31 HA PHE 31 -0.261 2.440 2.784 323 1HB PHE 31 2HB PHE 31 -1.782 0.813 0.756 324 2HB PHE 31 1HB PHE 31 -0.284 1.606 0.270 325 HD1 PHE 31 1HD PHE 31 1.472 1.425 2.526 326 HD2 PHE 31 2HD PHE 31 -1.396 -1.448 1.126 327 HE1 PHE 31 1HE PHE 31 2.777 -0.393 3.589 328 HE2 PHE 31 2HE PHE 31 -0.089 -3.269 2.193 329 1HZ PHE 31 HZ PHE 31 1.999 -2.738 3.425 330 QB PHE 31 QB PHE 31 -1.033 1.209 0.513 331 QG PHE 31 QD PHE 31 0.038 -0.012 1.826 332 QZ PHE 31 QE PHE 31 1.344 -1.831 2.891 333 QZ PHE 31 QR PHE 31 0.952 -1.285 2.572 334 H LYS 32 H LYS 32 -3.254 3.085 0.987 335 HA LYS 32 HA LYS 32 -2.181 5.336 -0.476 336 1HB LYS 32 2HB LYS 32 -4.885 4.112 -0.027 337 2HB LYS 32 1HB LYS 32 -4.718 5.632 -0.904 338 1HG LYS 32 2HG LYS 32 -3.264 4.617 -2.540 339 2HG LYS 32 1HG LYS 32 -3.182 3.119 -1.613 340 1HD LYS 32 2HD LYS 32 -4.769 2.821 -3.433 341 2HD LYS 32 1HD LYS 32 -5.660 2.867 -1.911 342 1HE LYS 32 2HE LYS 32 -6.115 5.304 -2.298 343 2HE LYS 32 1HE LYS 32 -5.345 5.151 -3.890 344 1HZ LYS 32 2HZ LYS 32 -6.876 3.330 -4.395 345 2HZ LYS 32 1HZ LYS 32 -7.652 3.560 -2.901 346 3HZ LYS 32 3HZ LYS 32 -7.715 4.774 -4.085 347 QB LYS 32 QB LYS 32 -4.802 4.872 -0.466 348 QG LYS 32 QG LYS 32 -3.223 3.868 -2.077 349 QD LYS 32 QD LYS 32 -5.215 2.844 -2.672 350 QE LYS 32 QE LYS 32 -5.730 5.228 -3.094 351 QZ LYS 32 QZ LYS 32 -7.415 3.888 -3.794 352 H GLN 33 H GLN 33 -2.821 5.069 2.778 353 HA GLN 33 HA GLN 33 -3.813 7.911 2.996 354 1HB GLN 33 2HB GLN 33 -5.115 6.010 4.079 355 2HB GLN 33 1HB GLN 33 -3.695 5.689 5.075 356 1HG GLN 33 2HG GLN 33 -5.057 7.092 6.417 357 2HG GLN 33 1HG GLN 33 -3.828 8.170 5.753 358 1HE2 GLN 33 2HE2 GLN 33 -7.569 8.365 4.034 359 2HE2 GLN 33 1HE2 GLN 33 -6.979 6.859 4.548 360 QB GLN 33 QB GLN 33 -4.405 5.849 4.577 361 QG GLN 33 QG GLN 33 -4.442 7.631 6.085 362 QE2 GLN 33 QE2 GLN 33 -7.274 7.612 4.291 363 H TYR 34 H TYR 34 -1.638 5.462 4.188 364 HA TYR 34 HA TYR 34 0.195 6.886 5.784 365 1HB TYR 34 2HB TYR 34 0.236 4.531 5.712 366 2HB TYR 34 1HB TYR 34 0.087 4.496 3.950 367 HD1 TYR 34 1HD TYR 34 2.401 4.879 6.819 368 HD2 TYR 34 2HD TYR 34 2.084 4.746 2.536 369 HE1 TYR 34 1HE TYR 34 4.861 4.618 6.645 370 HE2 TYR 34 2HE TYR 34 4.544 4.485 2.363 371 HH TYR 34 HH TYR 34 6.484 3.621 4.911 372 QB TYR 34 QB TYR 34 0.162 4.514 4.831 373 QG TYR 34 QD TYR 34 2.242 4.813 4.677 374 QZ TYR 34 QE TYR 34 4.702 4.552 4.504 375 QR TYR 34 QR TYR 34 3.472 4.682 4.591 376 H ALA 35 H ALA 35 0.056 6.427 2.255 377 HA ALA 35 HA ALA 35 2.517 7.686 1.497 378 1HB ALA 35 3HB ALA 35 -0.141 7.054 0.261 379 2HB ALA 35 2HB ALA 35 0.946 8.135 -0.613 380 3HB ALA 35 1HB ALA 35 1.468 6.500 -0.205 381 QB ALA 35 QB ALA 35 0.758 7.230 -0.186 382 H ASN 36 H ASN 36 -0.805 9.045 1.495 383 HA ASN 36 HA ASN 36 -0.114 11.727 0.865 384 1HB ASN 36 2HB ASN 36 -2.373 10.314 2.228 385 2HB ASN 36 1HB ASN 36 -2.350 12.076 2.220 386 1HD2 ASN 36 2HD2 ASN 36 -2.753 10.105 -1.370 387 2HD2 ASN 36 1HD2 ASN 36 -2.025 9.303 -0.064 388 QB ASN 36 QB ASN 36 -2.361 11.195 2.224 389 QD2 ASN 36 QD2 ASN 36 -2.389 9.704 -0.717 390 H ASP 37 H ASP 37 -0.651 10.243 4.079 391 HA ASP 37 HA ASP 37 -0.180 12.510 5.690 392 1HB ASP 37 2HB ASP 37 0.094 9.548 5.970 393 2HB ASP 37 1HB ASP 37 0.725 10.565 7.266 394 QB ASP 37 QB ASP 37 0.409 10.056 6.618 395 H ASN 38 H ASN 38 2.096 10.620 3.889 396 HA ASN 38 HA ASN 38 4.383 11.861 5.276 397 1HB ASN 38 2HB ASN 38 4.015 9.324 4.752 398 2HB ASN 38 1HB ASN 38 4.537 9.771 3.129 399 1HD2 ASN 38 2HD2 ASN 38 7.934 10.161 4.039 400 2HD2 ASN 38 1HD2 ASN 38 6.774 10.301 2.809 401 QB ASN 38 QB ASN 38 4.276 9.547 3.941 402 QD2 ASN 38 QD2 ASN 38 7.354 10.231 3.424 403 H GLY 39 H GLY 39 2.835 11.577 2.107 404 1HA GLY 39 2HA GLY 39 2.961 13.701 0.732 405 2HA GLY 39 1HA GLY 39 4.688 13.694 1.084 406 QA GLY 39 QA GLY 39 3.825 13.698 0.908 407 H ILE 40 H ILE 40 2.742 10.835 0.272 408 HA ILE 40 HA ILE 40 4.504 10.414 -2.104 409 HB ILE 40 HB ILE 40 3.133 8.770 -0.042 410 1HG1 ILE 40 2HG1 ILE 40 5.231 7.425 -0.366 411 2HG1 ILE 40 1HG1 ILE 40 5.725 8.617 -1.570 412 1HG2 ILE 40 2HG2 ILE 40 2.117 7.927 -2.189 413 2HG2 ILE 40 1HG2 ILE 40 3.751 7.559 -2.741 414 3HG2 ILE 40 3HG2 ILE 40 3.090 6.739 -1.324 415 1HD1 ILE 40 1HD1 ILE 40 4.907 9.365 1.233 416 2HD1 ILE 40 3HD1 ILE 40 6.584 9.037 0.786 417 3HD1 ILE 40 2HD1 ILE 40 5.716 10.378 0.034 418 QG1 ILE 40 QG1 ILE 40 5.478 8.021 -0.968 419 QG2 ILE 40 QG2 ILE 40 2.986 7.408 -2.085 420 QD1 ILE 40 QD1 ILE 40 5.736 9.593 0.685 421 H ASP 41 H ASP 41 3.598 10.937 -4.017 422 HA ASP 41 HA ASP 41 0.729 10.311 -4.517 423 1HB ASP 41 2HB ASP 41 2.031 13.042 -4.697 424 2HB ASP 41 1HB ASP 41 0.445 12.672 -5.376 425 QB ASP 41 QB ASP 41 1.238 12.857 -5.036 426 H GLY 42 H GLY 42 1.008 8.986 -6.285 427 1HA GLY 42 2HA GLY 42 1.946 10.133 -8.782 428 2HA GLY 42 1HA GLY 42 3.043 8.896 -8.171 429 QA GLY 42 QA GLY 42 2.495 9.515 -8.476 430 H GLU 43 H GLU 43 2.559 6.799 -8.668 431 HA GLU 43 HA GLU 43 -0.164 6.235 -9.805 432 1HB GLU 43 2HB GLU 43 2.381 5.933 -10.852 433 2HB GLU 43 1HB GLU 43 2.016 4.309 -10.271 434 1HG GLU 43 2HG GLU 43 0.200 4.055 -11.703 435 2HG GLU 43 1HG GLU 43 -0.067 5.794 -11.838 436 QB GLU 43 QB GLU 43 2.198 5.121 -10.562 437 QG GLU 43 QG GLU 43 0.067 4.925 -11.771 438 H TRP 44 H TRP 44 -0.668 3.738 -9.550 439 HA TRP 44 HA TRP 44 0.252 2.536 -6.980 440 1HB TRP 44 2HB TRP 44 -2.447 3.763 -7.535 441 2HB TRP 44 1HB TRP 44 -2.344 2.341 -6.492 442 HD1 TRP 44 HD TRP 44 -1.356 6.020 -6.646 443 HE1 TRP 44 1HE TRP 44 -0.610 6.758 -4.291 444 HE3 TRP 44 3HE TRP 44 -1.358 1.501 -4.300 445 HZ2 TRP 44 2HZ TRP 44 -0.078 5.573 -1.741 446 HZ3 TRP 44 3HZ TRP 44 -0.726 1.332 -1.901 447 HH2 TRP 44 HH TRP 44 -0.080 3.363 -0.631 448 QB TRP 44 QB TRP 44 -2.395 3.052 -7.013 449 H THR 45 H THR 45 0.327 0.344 -7.285 450 HA THR 45 HA THR 45 -1.636 -0.938 -9.127 451 HB THR 45 HB THR 45 0.042 -1.956 -10.462 452 HG1 THR 45 1HG THR 45 2.025 -2.289 -9.790 453 1HG2 THR 45 2HG2 THR 45 -0.238 0.439 -10.972 454 2HG2 THR 45 1HG2 THR 45 1.060 0.824 -9.839 455 3HG2 THR 45 3HG2 THR 45 1.410 -0.097 -11.303 456 QG2 THR 45 QG2 THR 45 0.744 0.388 -10.705 457 H TYR 46 H TYR 46 -2.333 -2.837 -8.277 458 HA TYR 46 HA TYR 46 -0.990 -3.842 -5.818 459 1HB TYR 46 2HB TYR 46 -3.353 -3.374 -5.638 460 2HB TYR 46 1HB TYR 46 -3.703 -4.303 -7.099 461 HD1 TYR 46 1HD TYR 46 -1.760 -4.884 -3.932 462 HD2 TYR 46 2HD TYR 46 -4.707 -6.367 -6.682 463 HE1 TYR 46 1HE TYR 46 -1.978 -6.952 -2.583 464 HE2 TYR 46 2HE TYR 46 -4.924 -8.435 -5.331 465 HH TYR 46 HH TYR 46 -4.489 -9.015 -2.778 466 QB TYR 46 QB TYR 46 -3.528 -3.838 -6.368 467 QG TYR 46 QD TYR 46 -3.233 -5.626 -5.307 468 QZ TYR 46 QE TYR 46 -3.451 -7.694 -3.957 469 QR TYR 46 QR TYR 46 -3.342 -6.660 -4.632 470 H ASP 47 H ASP 47 0.118 -5.761 -5.840 471 HA ASP 47 HA ASP 47 0.157 -7.339 -8.374 472 1HB ASP 47 2HB ASP 47 1.997 -7.226 -5.958 473 2HB ASP 47 1HB ASP 47 2.277 -8.221 -7.386 474 QB ASP 47 QB ASP 47 2.137 -7.724 -6.672 475 H ASP 48 H ASP 48 -1.617 -8.730 -8.136 476 HA ASP 48 HA ASP 48 -2.363 -10.019 -5.667 477 1HB ASP 48 2HB ASP 48 -3.823 -11.339 -7.189 478 2HB ASP 48 1HB ASP 48 -3.899 -9.612 -7.535 479 QB ASP 48 QB ASP 48 -3.861 -10.475 -7.362 480 H ALA 49 H ALA 49 0.283 -10.613 -7.704 481 HA ALA 49 HA ALA 49 0.380 -13.530 -7.270 482 1HB ALA 49 2HB ALA 49 1.870 -11.427 -8.803 483 2HB ALA 49 1HB ALA 49 2.700 -12.942 -8.449 484 3HB ALA 49 3HB ALA 49 1.197 -12.955 -9.373 485 QB ALA 49 QB ALA 49 1.922 -12.441 -8.875 486 H THR 50 H THR 50 1.773 -10.543 -6.021 487 HA THR 50 HA THR 50 3.365 -12.153 -4.052 488 HB THR 50 HB THR 50 4.912 -10.193 -4.090 489 HG1 THR 50 1HG THR 50 3.351 -8.656 -4.741 490 1HG2 THR 50 3HG2 THR 50 4.983 -12.219 -5.721 491 2HG2 THR 50 2HG2 THR 50 4.446 -11.057 -6.934 492 3HG2 THR 50 1HG2 THR 50 5.974 -10.808 -6.090 493 QG2 THR 50 QG2 THR 50 5.134 -11.361 -6.248 494 H LYS 51 H LYS 51 0.578 -10.402 -4.314 495 HA LYS 51 HA LYS 51 -0.748 -9.189 -2.792 496 1HB LYS 51 2HB LYS 51 1.197 -10.524 -0.873 497 2HB LYS 51 1HB LYS 51 -0.364 -9.837 -0.427 498 1HG LYS 51 2HG LYS 51 -0.319 -11.844 -2.642 499 2HG LYS 51 1HG LYS 51 -0.100 -12.434 -0.994 500 1HD LYS 51 2HD LYS 51 -2.184 -11.396 -0.291 501 2HD LYS 51 1HD LYS 51 -2.381 -10.643 -1.874 502 1HE LYS 51 2HE LYS 51 -3.028 -12.620 -2.888 503 2HE LYS 51 1HE LYS 51 -2.066 -13.621 -1.782 504 1HZ LYS 51 3HZ LYS 51 -3.584 -12.908 0.021 505 2HZ LYS 51 2HZ LYS 51 -4.564 -12.145 -1.137 506 3HZ LYS 51 1HZ LYS 51 -4.359 -13.831 -1.172 507 QB LYS 51 QB LYS 51 0.417 -10.180 -0.650 508 QG LYS 51 QG LYS 51 -0.210 -12.139 -1.818 509 QD LYS 51 QD LYS 51 -2.282 -11.020 -1.082 510 QE LYS 51 QE LYS 51 -2.547 -13.120 -2.335 511 QZ LYS 51 QZ LYS 51 -4.169 -12.961 -0.763 512 H THR 52 H THR 52 1.549 -7.827 -3.978 513 HA THR 52 HA THR 52 2.142 -5.858 -1.777 514 HB THR 52 HB THR 52 3.907 -6.692 -4.101 515 HG1 THR 52 1HG THR 52 3.817 -8.383 -2.702 516 1HG2 THR 52 3HG2 THR 52 4.112 -4.704 -1.889 517 2HG2 THR 52 2HG2 THR 52 5.574 -5.591 -2.320 518 3HG2 THR 52 1HG2 THR 52 4.739 -4.622 -3.535 519 QG2 THR 52 QG2 THR 52 4.808 -4.972 -2.581 520 H PHE 53 H PHE 53 1.947 -3.668 -2.351 521 HA PHE 53 HA PHE 53 0.589 -3.120 -4.927 522 1HB PHE 53 2HB PHE 53 1.026 -1.598 -2.350 523 2HB PHE 53 1HB PHE 53 0.205 -0.893 -3.743 524 HD1 PHE 53 1HD PHE 53 0.087 -3.691 -1.286 525 HD2 PHE 53 2HD PHE 53 -2.064 -1.452 -4.263 526 HE1 PHE 53 1HE PHE 53 -2.026 -4.819 -0.615 527 HE2 PHE 53 2HE PHE 53 -4.162 -2.581 -3.588 528 1HZ PHE 53 HZ PHE 53 -4.143 -4.262 -1.769 529 QB PHE 53 QB PHE 53 0.616 -1.246 -3.046 530 QG PHE 53 QD PHE 53 -0.989 -2.572 -2.774 531 QZ PHE 53 QE PHE 53 -3.094 -3.700 -2.101 532 QZ PHE 53 QR PHE 53 -2.462 -3.361 -2.304 533 H THR 54 H THR 54 1.310 -0.505 -5.502 534 HA THR 54 HA THR 54 4.248 -0.238 -5.432 535 HB THR 54 HB THR 54 2.939 -0.257 -8.136 536 HG1 THR 54 1HG THR 54 3.532 -2.522 -8.230 537 1HG2 THR 54 1HG2 THR 54 5.316 0.473 -7.701 538 2HG2 THR 54 3HG2 THR 54 5.668 -1.187 -7.222 539 3HG2 THR 54 2HG2 THR 54 5.154 -0.835 -8.873 540 QG2 THR 54 QG2 THR 54 5.379 -0.517 -7.932 541 H VAL 55 H VAL 55 3.765 1.723 -4.402 542 HA VAL 55 HA VAL 55 2.023 3.642 -5.817 543 HB VAL 55 HB VAL 55 1.556 3.387 -3.490 544 1HG1 VAL 55 2HG1 VAL 55 4.521 3.845 -3.044 545 2HG1 VAL 55 1HG1 VAL 55 3.316 3.894 -1.759 546 3HG1 VAL 55 3HG1 VAL 55 3.576 2.399 -2.654 547 1HG2 VAL 55 3HG2 VAL 55 1.515 5.716 -4.346 548 2HG2 VAL 55 2HG2 VAL 55 1.898 5.644 -2.625 549 3HG2 VAL 55 1HG2 VAL 55 3.179 5.926 -3.802 550 QG1 VAL 55 QG1 VAL 55 3.804 3.379 -2.486 551 QG2 VAL 55 QG2 VAL 55 2.197 5.762 -3.591 552 QQG VAL 55 QQG VAL 55 3.001 4.571 -3.038 553 H THR 56 H THR 56 3.073 4.618 -7.440 554 HA THR 56 HA THR 56 5.893 5.443 -7.221 555 HB THR 56 HB THR 56 3.704 5.302 -9.279 556 HG1 THR 56 1HG THR 56 5.142 4.013 -10.254 557 1HG2 THR 56 3HG2 THR 56 6.218 6.964 -9.616 558 2HG2 THR 56 2HG2 THR 56 5.158 6.473 -10.936 559 3HG2 THR 56 1HG2 THR 56 4.554 7.549 -9.675 560 QG2 THR 56 QG2 THR 56 5.310 6.995 -10.076 561 H GLU 57 H GLU 57 6.341 7.842 -7.836 562 HA GLU 57 HA GLU 57 4.271 9.641 -6.615 563 1HB GLU 57 2HB GLU 57 7.245 9.371 -6.174 564 2HB GLU 57 1HB GLU 57 6.413 10.879 -5.800 565 1HG GLU 57 2HG GLU 57 6.008 9.926 -3.778 566 2HG GLU 57 1HG GLU 57 4.753 9.024 -4.627 567 QB GLU 57 QB GLU 57 6.829 10.125 -5.987 568 QG GLU 57 QG GLU 57 5.381 9.475 -4.202 No H/Q in entry = 568 Start of MODEL 24 1 1H MET 1 2HT MET 1 -3.950 -15.335 6.767 2 2H MET 1 1HT MET 1 -3.260 -15.853 8.230 3 3H MET 1 3HT MET 1 -3.625 -14.212 8.000 4 HA MET 1 HA MET 1 -1.271 -14.465 7.729 5 1HB MET 1 2HB MET 1 -1.889 -16.994 7.173 6 2HB MET 1 1HB MET 1 -1.763 -16.420 5.510 7 1HG MET 1 2HG MET 1 0.494 -15.387 6.253 8 2HG MET 1 1HG MET 1 0.364 -16.458 7.649 9 1HE MET 1 3HE MET 1 2.584 -17.237 6.989 10 2HE MET 1 2HE MET 1 1.729 -18.680 7.527 11 3HE MET 1 1HE MET 1 2.763 -18.757 6.102 12 QB MET 1 QB MET 1 -1.826 -16.707 6.341 13 QG MET 1 QG MET 1 0.429 -15.922 6.951 14 QE MET 1 QE MET 1 2.358 -18.225 6.873 15 H THR 2 H THR 2 -2.509 -12.373 6.943 16 HA THR 2 HA THR 2 -2.513 -12.180 3.963 17 HB THR 2 HB THR 2 -3.635 -10.405 6.159 18 HG1 THR 2 1HG THR 2 -4.699 -12.395 5.880 19 1HG2 THR 2 1HG2 THR 2 -3.396 -10.120 3.208 20 2HG2 THR 2 3HG2 THR 2 -4.939 -9.658 3.927 21 3HG2 THR 2 2HG2 THR 2 -3.450 -8.873 4.454 22 QG2 THR 2 QG2 THR 2 -3.928 -9.550 3.863 23 H THR 3 H THR 3 -1.908 -9.553 6.297 24 HA THR 3 HA THR 3 -0.176 -7.951 6.357 25 HB THR 3 HB THR 3 1.419 -10.445 5.699 26 HG1 THR 3 1HG THR 3 0.866 -11.074 7.604 27 1HG2 THR 3 3HG2 THR 3 2.175 -7.711 6.249 28 2HG2 THR 3 2HG2 THR 3 2.732 -8.758 7.555 29 3HG2 THR 3 1HG2 THR 3 3.208 -9.097 5.892 30 QG2 THR 3 QG2 THR 3 2.705 -8.522 6.565 31 H PHE 4 H PHE 4 -0.771 -6.756 4.444 32 HA PHE 4 HA PHE 4 0.367 -7.568 1.840 33 1HB PHE 4 2HB PHE 4 -1.528 -5.522 2.929 34 2HB PHE 4 1HB PHE 4 -0.783 -5.215 1.359 35 HD1 PHE 4 2HD PHE 4 -0.966 -6.989 -0.449 36 HD2 PHE 4 1HD PHE 4 -3.297 -7.088 3.156 37 HE1 PHE 4 2HE PHE 4 -2.540 -8.579 -1.512 38 HE2 PHE 4 1HE PHE 4 -4.873 -8.678 2.090 39 1HZ PHE 4 HZ PHE 4 -4.495 -9.424 -0.244 40 QB PHE 4 QB PHE 4 -1.155 -5.369 2.144 41 QG PHE 4 QD PHE 4 -2.131 -7.038 1.353 42 QZ PHE 4 QE PHE 4 -3.707 -8.628 0.289 43 QZ PHE 4 QR PHE 4 -3.234 -8.152 0.608 44 H LYS 5 H LYS 5 2.149 -6.580 0.898 45 HA LYS 5 HA LYS 5 3.690 -4.687 2.612 46 1HB LYS 5 2HB LYS 5 4.424 -6.258 0.108 47 2HB LYS 5 1HB LYS 5 5.552 -5.365 1.129 48 1HG LYS 5 2HG LYS 5 4.556 -6.872 3.046 49 2HG LYS 5 1HG LYS 5 4.092 -7.923 1.709 50 1HD LYS 5 2HD LYS 5 6.628 -7.435 0.977 51 2HD LYS 5 1HD LYS 5 6.808 -7.238 2.720 52 1HE LYS 5 2HE LYS 5 6.236 -9.460 3.167 53 2HE LYS 5 1HE LYS 5 5.324 -9.631 1.654 54 1HZ LYS 5 1HZ LYS 5 7.432 -9.325 0.444 55 2HZ LYS 5 3HZ LYS 5 8.268 -9.324 1.919 56 3HZ LYS 5 2HZ LYS 5 7.441 -10.720 1.414 57 QB LYS 5 QB LYS 5 4.988 -5.811 0.618 58 QG LYS 5 QG LYS 5 4.324 -7.397 2.377 59 QD LYS 5 QD LYS 5 6.718 -7.337 1.848 60 QE LYS 5 QE LYS 5 5.780 -9.546 2.410 61 QZ LYS 5 QZ LYS 5 7.714 -9.790 1.259 62 H LEU 6 H LEU 6 5.136 -3.222 0.867 63 HA LEU 6 HA LEU 6 3.470 -2.184 -1.331 64 1HB LEU 6 2HB LEU 6 2.437 -1.165 0.625 65 2HB LEU 6 1HB LEU 6 4.008 -0.647 1.233 66 HG LEU 6 HG LEU 6 4.182 0.637 -1.048 67 1HD1 LEU 6 1HD1 LEU 6 1.273 -0.103 -0.860 68 2HD1 LEU 6 3HD1 LEU 6 1.759 1.411 -1.623 69 3HD1 LEU 6 2HD1 LEU 6 2.334 -0.126 -2.268 70 1HD2 LEU 6 3HD2 LEU 6 3.557 1.392 1.479 71 2HD2 LEU 6 2HD2 LEU 6 3.638 2.523 0.129 72 3HD2 LEU 6 1HD2 LEU 6 2.080 1.877 0.645 73 QB LEU 6 QB LEU 6 3.222 -0.906 0.929 74 QD1 LEU 6 QD1 LEU 6 1.789 0.394 -1.584 75 QD2 LEU 6 QD2 LEU 6 3.092 1.931 0.751 76 QQD LEU 6 QQD LEU 6 2.440 1.163 -0.416 77 H ILE 7 H ILE 7 5.159 -2.248 -2.801 78 HA ILE 7 HA ILE 7 7.857 -1.321 -2.047 79 HB ILE 7 HB ILE 7 6.645 -2.221 -4.688 80 1HG1 ILE 7 2HG1 ILE 7 8.536 -3.917 -3.125 81 2HG1 ILE 7 1HG1 ILE 7 6.888 -3.790 -2.509 82 1HG2 ILE 7 2HG2 ILE 7 9.349 -1.330 -3.827 83 2HG2 ILE 7 1HG2 ILE 7 9.293 -2.761 -4.862 84 3HG2 ILE 7 3HG2 ILE 7 8.583 -1.243 -5.415 85 1HD1 ILE 7 1HD1 ILE 7 6.096 -4.342 -4.866 86 2HD1 ILE 7 3HD1 ILE 7 7.770 -4.753 -5.238 87 3HD1 ILE 7 2HD1 ILE 7 6.893 -5.658 -4.004 88 QG1 ILE 7 QG1 ILE 7 7.712 -3.854 -2.817 89 QG2 ILE 7 QG2 ILE 7 9.075 -1.778 -4.701 90 QD1 ILE 7 QD1 ILE 7 6.920 -4.918 -4.703 91 H ILE 8 H ILE 8 8.512 0.789 -2.395 92 HA ILE 8 HA ILE 8 6.551 2.572 -3.714 93 HB ILE 8 HB ILE 8 9.130 3.383 -2.380 94 1HG1 ILE 8 2HG1 ILE 8 7.844 1.895 -0.835 95 2HG1 ILE 8 1HG1 ILE 8 7.907 3.555 -0.259 96 1HG2 ILE 8 3HG2 ILE 8 6.620 4.667 -3.323 97 2HG2 ILE 8 2HG2 ILE 8 7.279 5.259 -1.813 98 3HG2 ILE 8 1HG2 ILE 8 8.263 5.308 -3.267 99 1HD1 ILE 8 3HD1 ILE 8 5.594 2.362 -1.811 100 2HD1 ILE 8 2HD1 ILE 8 5.633 2.539 -0.057 101 3HD1 ILE 8 1HD1 ILE 8 5.653 3.972 -1.087 102 QG1 ILE 8 QG1 ILE 8 7.875 2.725 -0.547 103 QG2 ILE 8 QG2 ILE 8 7.387 5.078 -2.801 104 QD1 ILE 8 QD1 ILE 8 5.627 2.958 -0.985 105 H ASN 9 H ASN 9 6.813 2.845 -5.882 106 HA ASN 9 HA ASN 9 9.283 2.328 -7.295 107 1HB ASN 9 2HB ASN 9 7.039 2.051 -8.269 108 2HB ASN 9 1HB ASN 9 6.729 3.770 -8.051 109 1HD2 ASN 9 2HD2 ASN 9 7.897 4.290 -11.339 110 2HD2 ASN 9 1HD2 ASN 9 6.626 4.484 -10.228 111 QB ASN 9 QB ASN 9 6.884 2.910 -8.160 112 QD2 ASN 9 QD2 ASN 9 7.262 4.387 -10.783 113 H GLY 10 H GLY 10 7.901 5.123 -5.773 114 1HA GLY 10 2HA GLY 10 9.401 7.134 -7.194 115 2HA GLY 10 1HA GLY 10 8.599 7.362 -5.640 116 QA GLY 10 QA GLY 10 9.000 7.248 -6.417 117 H LYS 11 H LYS 11 11.305 8.211 -6.521 118 HA LYS 11 HA LYS 11 13.333 6.580 -5.291 119 1HB LYS 11 2HB LYS 11 14.665 8.678 -5.498 120 2HB LYS 11 1HB LYS 11 13.768 8.318 -6.972 121 1HG LYS 11 2HG LYS 11 11.951 9.829 -5.545 122 2HG LYS 11 1HG LYS 11 13.483 10.581 -5.107 123 1HD LYS 11 2HD LYS 11 13.363 9.989 -7.965 124 2HD LYS 11 1HD LYS 11 12.027 11.023 -7.460 125 1HE LYS 11 2HE LYS 11 13.957 12.316 -6.155 126 2HE LYS 11 1HE LYS 11 14.970 11.583 -7.416 127 1HZ LYS 11 2HZ LYS 11 12.422 13.006 -7.964 128 2HZ LYS 11 1HZ LYS 11 13.950 13.742 -8.072 129 3HZ LYS 11 3HZ LYS 11 13.556 12.454 -9.103 130 QB LYS 11 QB LYS 11 14.216 8.498 -6.235 131 QG LYS 11 QG LYS 11 12.717 10.205 -5.326 132 QD LYS 11 QD LYS 11 12.695 10.506 -7.713 133 QE LYS 11 QE LYS 11 14.463 11.949 -6.786 134 QZ LYS 11 QZ LYS 11 13.309 13.068 -8.380 135 H THR 12 H THR 12 11.047 8.906 -4.000 136 HA THR 12 HA THR 12 12.487 9.229 -1.450 137 HB THR 12 HB THR 12 9.675 10.061 -2.195 138 HG1 THR 12 1HG THR 12 10.509 11.733 -3.260 139 1HG2 THR 12 2HG2 THR 12 11.674 10.773 -0.096 140 2HG2 THR 12 1HG2 THR 12 10.648 12.064 -0.720 141 3HG2 THR 12 3HG2 THR 12 9.919 10.640 0.022 142 QG2 THR 12 QG2 THR 12 10.747 11.159 -0.264 143 H LEU 13 H LEU 13 11.290 8.786 0.601 144 HA LEU 13 HA LEU 13 10.528 7.114 2.073 145 1HB LEU 13 2HB LEU 13 8.169 7.067 1.976 146 2HB LEU 13 1HB LEU 13 8.575 8.547 1.124 147 HG LEU 13 HG LEU 13 8.460 6.235 -0.657 148 1HD1 LEU 13 2HD1 LEU 13 5.985 7.018 0.899 149 2HD1 LEU 13 1HD1 LEU 13 5.964 6.047 -0.574 150 3HD1 LEU 13 3HD1 LEU 13 6.754 5.432 0.877 151 1HD2 LEU 13 3HD2 LEU 13 7.331 9.009 -0.529 152 2HD2 LEU 13 2HD2 LEU 13 8.438 8.325 -1.710 153 3HD2 LEU 13 1HD2 LEU 13 6.742 7.866 -1.732 154 QB LEU 13 QB LEU 13 8.372 7.807 1.550 155 QD1 LEU 13 QD1 LEU 13 6.235 6.166 0.401 156 QD2 LEU 13 QD2 LEU 13 7.504 8.400 -1.323 157 QQD LEU 13 QQD LEU 13 6.869 7.283 -0.461 158 H LYS 14 H LYS 14 12.047 5.990 -0.318 159 HA LYS 14 HA LYS 14 10.919 3.699 -1.449 160 1HB LYS 14 2HB LYS 14 13.625 4.663 -0.697 161 2HB LYS 14 1HB LYS 14 13.492 2.944 -1.071 162 1HG LYS 14 2HG LYS 14 12.312 5.048 -2.887 163 2HG LYS 14 1HG LYS 14 13.992 4.534 -3.038 164 1HD LYS 14 2HD LYS 14 13.146 2.149 -3.178 165 2HD LYS 14 1HD LYS 14 11.515 2.810 -3.296 166 1HE LYS 14 2HE LYS 14 11.929 2.831 -5.548 167 2HE LYS 14 1HE LYS 14 12.875 4.291 -5.196 168 1HZ LYS 14 1HZ LYS 14 13.953 1.531 -4.994 169 2HZ LYS 14 3HZ LYS 14 14.157 2.519 -6.359 170 3HZ LYS 14 2HZ LYS 14 14.824 2.985 -4.867 171 QB LYS 14 QB LYS 14 13.559 3.803 -0.884 172 QG LYS 14 QG LYS 14 13.152 4.791 -2.963 173 QD LYS 14 QD LYS 14 12.330 2.479 -3.237 174 QE LYS 14 QE LYS 14 12.402 3.561 -5.372 175 QZ LYS 14 QZ LYS 14 14.311 2.345 -5.406 176 H GLY 15 H GLY 15 10.363 1.653 -0.683 177 1HA GLY 15 2HA GLY 15 11.599 0.228 1.384 178 2HA GLY 15 1HA GLY 15 10.361 1.192 2.181 179 QA GLY 15 QA GLY 15 10.980 0.710 1.783 180 H GLU 16 H GLU 16 10.023 -1.382 2.473 181 HA GLU 16 HA GLU 16 7.706 -2.091 0.714 182 1HB GLU 16 2HB GLU 16 10.313 -3.443 1.125 183 2HB GLU 16 1HB GLU 16 8.905 -4.499 1.233 184 1HG GLU 16 2HG GLU 16 8.120 -3.640 -0.962 185 2HG GLU 16 1HG GLU 16 9.580 -2.656 -1.079 186 QB GLU 16 QB GLU 16 9.609 -3.971 1.179 187 QG GLU 16 QG GLU 16 8.850 -3.148 -1.020 188 H ILE 17 H ILE 17 7.662 -0.933 3.330 189 HA ILE 17 HA ILE 17 7.605 -2.610 5.567 190 HB ILE 17 HB ILE 17 5.917 -0.985 6.419 191 1HG1 ILE 17 2HG1 ILE 17 5.967 0.282 3.678 192 2HG1 ILE 17 1HG1 ILE 17 4.750 -0.922 4.097 193 1HG2 ILE 17 3HG2 ILE 17 8.454 -0.495 6.001 194 2HG2 ILE 17 2HG2 ILE 17 7.860 0.556 4.714 195 3HG2 ILE 17 1HG2 ILE 17 7.376 0.848 6.384 196 1HD1 ILE 17 2HD1 ILE 17 5.281 1.548 5.765 197 2HD1 ILE 17 1HD1 ILE 17 4.046 1.477 4.508 198 3HD1 ILE 17 3HD1 ILE 17 3.931 0.423 5.918 199 QG1 ILE 17 QG1 ILE 17 5.359 -0.320 3.888 200 QG2 ILE 17 QG2 ILE 17 7.897 0.303 5.700 201 QD1 ILE 17 QD1 ILE 17 4.419 1.149 5.397 202 H THR 18 H THR 18 6.017 -3.948 6.531 203 HA THR 18 HA THR 18 3.898 -4.952 4.663 204 HB THR 18 HB THR 18 4.161 -7.053 5.942 205 HG1 THR 18 1HG THR 18 5.180 -7.057 7.772 206 1HG2 THR 18 2HG2 THR 18 5.972 -5.990 4.149 207 2HG2 THR 18 1HG2 THR 18 7.003 -6.468 5.498 208 3HG2 THR 18 3HG2 THR 18 5.965 -7.660 4.716 209 QG2 THR 18 QG2 THR 18 6.313 -6.706 4.788 210 H ILE 19 H ILE 19 1.767 -5.022 5.410 211 HA ILE 19 HA ILE 19 1.267 -4.296 8.274 212 HB ILE 19 HB ILE 19 -0.416 -2.649 7.520 213 1HG1 ILE 19 2HG1 ILE 19 0.028 -2.079 4.914 214 2HG1 ILE 19 1HG1 ILE 19 0.283 -3.821 4.875 215 1HG2 ILE 19 2HG2 ILE 19 1.971 -1.987 7.888 216 2HG2 ILE 19 1HG2 ILE 19 2.257 -2.201 6.161 217 3HG2 ILE 19 3HG2 ILE 19 1.136 -0.961 6.722 218 1HD1 ILE 19 1HD1 ILE 19 -1.959 -3.789 6.340 219 2HD1 ILE 19 3HD1 ILE 19 -2.201 -2.280 5.459 220 3HD1 ILE 19 2HD1 ILE 19 -2.002 -3.794 4.575 221 QG1 ILE 19 QG1 ILE 19 0.156 -2.950 4.895 222 QG2 ILE 19 QG2 ILE 19 1.788 -1.716 6.923 223 QD1 ILE 19 QD1 ILE 19 -2.054 -3.288 5.458 224 H GLU 20 H GLU 20 -0.364 -5.484 9.181 225 HA GLU 20 HA GLU 20 -1.616 -7.641 7.674 226 1HB GLU 20 2HB GLU 20 -1.461 -6.613 10.456 227 2HB GLU 20 1HB GLU 20 -2.902 -7.553 10.069 228 1HG GLU 20 2HG GLU 20 -1.514 -9.297 10.629 229 2HG GLU 20 1HG GLU 20 -1.055 -9.143 8.933 230 QB GLU 20 QB GLU 20 -2.181 -7.083 10.262 231 QG GLU 20 QG GLU 20 -1.284 -9.220 9.781 232 H ALA 21 H ALA 21 -3.709 -7.709 6.861 233 HA ALA 21 HA ALA 21 -5.675 -5.620 7.586 234 1HB ALA 21 1HB ALA 21 -4.112 -5.773 5.046 235 2HB ALA 21 3HB ALA 21 -5.815 -5.330 4.919 236 3HB ALA 21 2HB ALA 21 -4.721 -4.356 5.902 237 QB ALA 21 QB ALA 21 -4.882 -5.153 5.289 238 H VAL 22 H VAL 22 -7.822 -6.164 6.809 239 HA VAL 22 HA VAL 22 -8.561 -8.872 6.859 240 HB VAL 22 HB VAL 22 -10.065 -6.963 7.238 241 1HG1 VAL 22 3HG1 VAL 22 -8.959 -5.667 5.256 242 2HG1 VAL 22 2HG1 VAL 22 -10.163 -6.489 4.267 243 3HG1 VAL 22 1HG1 VAL 22 -10.677 -5.424 5.574 244 1HG2 VAL 22 2HG2 VAL 22 -10.991 -9.174 6.477 245 2HG2 VAL 22 1HG2 VAL 22 -12.011 -7.800 6.052 246 3HG2 VAL 22 3HG2 VAL 22 -10.991 -8.553 4.826 247 QG1 VAL 22 QG1 VAL 22 -9.933 -5.860 5.032 248 QG2 VAL 22 QG2 VAL 22 -11.331 -8.509 5.785 249 QQG VAL 22 QQG VAL 22 -10.632 -7.185 5.409 250 H ASP 23 H ASP 23 -7.840 -6.797 4.066 251 HA ASP 23 HA ASP 23 -7.189 -9.137 2.415 252 1HB ASP 23 2HB ASP 23 -8.917 -8.530 0.696 253 2HB ASP 23 1HB ASP 23 -9.625 -9.070 2.216 254 QB ASP 23 QB ASP 23 -9.271 -8.800 1.456 255 H ALA 24 H ALA 24 -6.773 -8.154 0.016 256 HA ALA 24 HA ALA 24 -4.685 -6.207 0.294 257 1HB ALA 24 1HB ALA 24 -5.399 -8.018 -1.566 258 2HB ALA 24 3HB ALA 24 -6.079 -6.575 -2.320 259 3HB ALA 24 2HB ALA 24 -4.356 -6.646 -1.944 260 QB ALA 24 QB ALA 24 -5.278 -7.080 -1.943 261 H ALA 25 H ALA 25 -8.124 -5.940 -0.453 262 HA ALA 25 HA ALA 25 -8.285 -3.347 -1.524 263 1HB ALA 25 1HB ALA 25 -10.017 -5.300 -0.781 264 2HB ALA 25 3HB ALA 25 -10.298 -4.135 0.513 265 3HB ALA 25 2HB ALA 25 -10.534 -3.659 -1.169 266 QB ALA 25 QB ALA 25 -10.283 -4.364 -0.479 267 H GLU 26 H GLU 26 -8.652 -4.239 1.925 268 HA GLU 26 HA GLU 26 -8.608 -1.586 2.978 269 1HB GLU 26 2HB GLU 26 -8.340 -4.378 3.893 270 2HB GLU 26 1HB GLU 26 -7.508 -3.216 4.927 271 1HG GLU 26 2HG GLU 26 -10.406 -2.980 4.060 272 2HG GLU 26 1HG GLU 26 -9.874 -3.586 5.629 273 QB GLU 26 QB GLU 26 -7.924 -3.797 4.410 274 QG GLU 26 QG GLU 26 -10.140 -3.283 4.844 275 H ALA 27 H ALA 27 -5.973 -3.911 2.358 276 HA ALA 27 HA ALA 27 -3.803 -2.470 3.492 277 1HB ALA 27 1HB ALA 27 -4.189 -4.444 1.267 278 2HB ALA 27 3HB ALA 27 -2.611 -3.667 1.430 279 3HB ALA 27 2HB ALA 27 -3.275 -4.614 2.767 280 QB ALA 27 QB ALA 27 -3.358 -4.242 1.821 281 H GLU 28 H GLU 28 -5.293 -2.213 0.258 282 HA GLU 28 HA GLU 28 -3.483 -0.305 -0.854 283 1HB GLU 28 2HB GLU 28 -5.493 -1.729 -1.826 284 2HB GLU 28 1HB GLU 28 -6.427 -0.281 -1.456 285 1HG GLU 28 2HG GLU 28 -4.817 1.075 -2.780 286 2HG GLU 28 1HG GLU 28 -3.939 -0.398 -3.202 287 QB GLU 28 QB GLU 28 -5.960 -1.005 -1.641 288 QG GLU 28 QG GLU 28 -4.378 0.338 -2.991 289 H LYS 29 H LYS 29 -6.582 0.189 0.933 290 HA LYS 29 HA LYS 29 -6.539 3.045 0.893 291 1HB LYS 29 2HB LYS 29 -7.729 0.896 2.625 292 2HB LYS 29 1HB LYS 29 -7.914 2.591 3.078 293 1HG LYS 29 2HG LYS 29 -9.722 2.542 1.704 294 2HG LYS 29 1HG LYS 29 -8.528 2.683 0.417 295 1HD LYS 29 2HD LYS 29 -8.851 -0.083 1.296 296 2HD LYS 29 1HD LYS 29 -10.370 0.610 0.728 297 1HE LYS 29 2HE LYS 29 -7.833 0.977 -0.869 298 2HE LYS 29 1HE LYS 29 -8.829 -0.481 -1.060 299 1HZ LYS 29 3HZ LYS 29 -9.831 2.311 -1.230 300 2HZ LYS 29 2HZ LYS 29 -9.539 1.300 -2.564 301 3HZ LYS 29 1HZ LYS 29 -10.755 0.905 -1.445 302 QB LYS 29 QB LYS 29 -7.821 1.744 2.852 303 QG LYS 29 QG LYS 29 -9.125 2.613 1.061 304 QD LYS 29 QD LYS 29 -9.611 0.263 1.012 305 QE LYS 29 QE LYS 29 -8.331 0.248 -0.965 306 QZ LYS 29 QZ LYS 29 -10.042 1.505 -1.746 307 H ILE 30 H ILE 30 -5.411 0.766 3.422 308 HA ILE 30 HA ILE 30 -4.336 2.659 5.247 309 HB ILE 30 HB ILE 30 -3.453 -0.163 4.526 310 1HG1 ILE 30 2HG1 ILE 30 -5.161 0.685 6.867 311 2HG1 ILE 30 1HG1 ILE 30 -5.885 0.350 5.296 312 1HG2 ILE 30 2HG2 ILE 30 -2.583 1.757 6.627 313 2HG2 ILE 30 1HG2 ILE 30 -2.874 0.101 7.160 314 3HG2 ILE 30 3HG2 ILE 30 -1.698 0.424 5.885 315 1HD1 ILE 30 1HD1 ILE 30 -3.998 -1.739 6.048 316 2HD1 ILE 30 3HD1 ILE 30 -5.252 -1.535 7.270 317 3HD1 ILE 30 2HD1 ILE 30 -5.697 -1.878 5.599 318 QG1 ILE 30 QG1 ILE 30 -5.523 0.517 6.082 319 QG2 ILE 30 QG2 ILE 30 -2.385 0.761 6.557 320 QD1 ILE 30 QD1 ILE 30 -4.982 -1.718 6.306 321 H PHE 31 H PHE 31 -2.777 0.978 2.513 322 HA PHE 31 HA PHE 31 -0.204 2.268 2.808 323 1HB PHE 31 2HB PHE 31 -1.686 0.659 0.745 324 2HB PHE 31 1HB PHE 31 -0.194 1.472 0.267 325 HD1 PHE 31 1HD PHE 31 1.579 1.300 2.483 326 HD2 PHE 31 2HD PHE 31 -1.301 -1.599 1.156 327 HE1 PHE 31 1HE PHE 31 2.903 -0.502 3.551 328 HE2 PHE 31 2HE PHE 31 0.028 -3.403 2.225 329 1HZ PHE 31 HZ PHE 31 2.129 -2.854 3.422 330 QB PHE 31 QB PHE 31 -0.940 1.065 0.506 331 QG PHE 31 QD PHE 31 0.139 -0.150 1.820 332 QZ PHE 31 QE PHE 31 1.465 -1.952 2.888 333 QZ PHE 31 QR PHE 31 1.067 -1.411 2.568 334 H LYS 32 H LYS 32 -3.135 2.953 0.956 335 HA LYS 32 HA LYS 32 -2.058 5.218 -0.474 336 1HB LYS 32 2HB LYS 32 -4.796 4.060 0.012 337 2HB LYS 32 1HB LYS 32 -4.567 5.526 -0.937 338 1HG LYS 32 2HG LYS 32 -2.738 3.357 -1.714 339 2HG LYS 32 1HG LYS 32 -4.439 2.946 -1.934 340 1HD LYS 32 2HD LYS 32 -3.109 5.457 -2.999 341 2HD LYS 32 1HD LYS 32 -3.487 4.025 -3.955 342 1HE LYS 32 2HE LYS 32 -5.922 4.496 -2.832 343 2HE LYS 32 1HE LYS 32 -5.300 6.153 -2.971 344 1HZ LYS 32 1HZ LYS 32 -4.697 5.704 -5.265 345 2HZ LYS 32 3HZ LYS 32 -5.294 4.121 -5.142 346 3HZ LYS 32 2HZ LYS 32 -6.361 5.440 -5.035 347 QB LYS 32 QB LYS 32 -4.682 4.793 -0.462 348 QG LYS 32 QG LYS 32 -3.588 3.151 -1.824 349 QD LYS 32 QD LYS 32 -3.298 4.741 -3.477 350 QE LYS 32 QE LYS 32 -5.611 5.325 -2.901 351 QZ LYS 32 QZ LYS 32 -5.451 5.088 -5.147 352 H GLN 33 H GLN 33 -2.688 4.923 2.785 353 HA GLN 33 HA GLN 33 -3.687 7.754 3.046 354 1HB GLN 33 2HB GLN 33 -4.951 5.867 4.166 355 2HB GLN 33 1HB GLN 33 -3.491 5.493 5.082 356 1HG GLN 33 2HG GLN 33 -4.711 6.882 6.546 357 2HG GLN 33 1HG GLN 33 -3.557 7.987 5.797 358 1HE2 GLN 33 1HE2 GLN 33 -6.847 7.596 6.479 359 2HE2 GLN 33 2HE2 GLN 33 -7.471 8.703 5.354 360 QB GLN 33 QB GLN 33 -4.221 5.680 4.624 361 QG GLN 33 QG GLN 33 -4.134 7.435 6.172 362 QE2 GLN 33 QE2 GLN 33 -7.159 8.150 5.916 363 H TYR 34 H TYR 34 -1.438 5.321 4.138 364 HA TYR 34 HA TYR 34 0.442 6.704 5.695 365 1HB TYR 34 2HB TYR 34 0.497 4.350 5.454 366 2HB TYR 34 1HB TYR 34 0.346 4.442 3.697 367 HD1 TYR 34 2HD TYR 34 2.390 5.225 2.351 368 HD2 TYR 34 1HD TYR 34 2.612 4.295 6.543 369 HE1 TYR 34 2HE TYR 34 4.854 5.033 2.179 370 HE2 TYR 34 1HE TYR 34 5.079 4.104 6.366 371 HH TYR 34 HH TYR 34 6.882 4.856 4.942 372 QB TYR 34 QB TYR 34 0.421 4.396 4.576 373 QG TYR 34 QD TYR 34 2.501 4.760 4.447 374 QZ TYR 34 QE TYR 34 4.966 4.568 4.273 375 QR TYR 34 QR TYR 34 3.734 4.664 4.360 376 H ALA 35 H ALA 35 0.083 6.481 2.170 377 HA ALA 35 HA ALA 35 2.478 7.857 1.368 378 1HB ALA 35 2HB ALA 35 -0.205 7.173 0.210 379 2HB ALA 35 1HB ALA 35 0.810 8.331 -0.654 380 3HB ALA 35 3HB ALA 35 1.404 6.696 -0.343 381 QB ALA 35 QB ALA 35 0.670 7.400 -0.262 382 H ASN 36 H ASN 36 -0.885 9.019 1.780 383 HA ASN 36 HA ASN 36 -0.425 11.764 1.173 384 1HB ASN 36 2HB ASN 36 -2.418 10.247 2.856 385 2HB ASN 36 1HB ASN 36 -2.524 11.998 2.662 386 1HD2 ASN 36 2HD2 ASN 36 -3.413 9.562 -0.508 387 2HD2 ASN 36 1HD2 ASN 36 -2.654 8.917 0.867 388 QB ASN 36 QB ASN 36 -2.471 11.123 2.759 389 QD2 ASN 36 QD2 ASN 36 -3.033 9.240 0.179 390 H ASP 37 H ASP 37 -0.417 10.083 4.332 391 HA ASP 37 HA ASP 37 0.086 12.302 6.009 392 1HB ASP 37 2HB ASP 37 -0.274 9.640 6.315 393 2HB ASP 37 1HB ASP 37 1.464 9.738 6.600 394 QB ASP 37 QB ASP 37 0.595 9.689 6.457 395 H ASN 38 H ASN 38 2.218 10.688 3.810 396 HA ASN 38 HA ASN 38 4.584 12.045 4.931 397 1HB ASN 38 2HB ASN 38 4.021 9.639 3.263 398 2HB ASN 38 1HB ASN 38 5.572 10.444 3.030 399 1HD2 ASN 38 2HD2 ASN 38 5.013 8.160 6.301 400 2HD2 ASN 38 1HD2 ASN 38 3.879 8.235 5.040 401 QB ASN 38 QB ASN 38 4.797 10.041 3.146 402 QD2 ASN 38 QD2 ASN 38 4.446 8.197 5.670 403 H GLY 39 H GLY 39 2.430 12.007 2.178 404 1HA GLY 39 2HA GLY 39 2.248 13.984 0.745 405 2HA GLY 39 1HA GLY 39 3.975 14.261 0.983 406 QA GLY 39 QA GLY 39 3.112 14.123 0.864 407 H ILE 40 H ILE 40 2.270 11.250 0.155 408 HA ILE 40 HA ILE 40 4.072 10.971 -2.206 409 HB ILE 40 HB ILE 40 2.739 9.227 -0.200 410 1HG1 ILE 40 2HG1 ILE 40 4.931 8.035 -0.458 411 2HG1 ILE 40 1HG1 ILE 40 5.384 9.272 -1.630 412 1HG2 ILE 40 1HG2 ILE 40 1.848 8.326 -2.360 413 2HG2 ILE 40 3HG2 ILE 40 3.514 8.122 -2.910 414 3HG2 ILE 40 2HG2 ILE 40 2.921 7.207 -1.521 415 1HD1 ILE 40 3HD1 ILE 40 4.394 10.009 1.113 416 2HD1 ILE 40 2HD1 ILE 40 6.104 9.647 0.825 417 3HD1 ILE 40 1HD1 ILE 40 5.319 10.989 -0.028 418 QG1 ILE 40 QG1 ILE 40 5.158 8.653 -1.044 419 QG2 ILE 40 QG2 ILE 40 2.761 7.885 -2.264 420 QD1 ILE 40 QD1 ILE 40 5.272 10.215 0.637 421 H ASP 41 H ASP 41 3.222 10.936 -4.225 422 HA ASP 41 HA ASP 41 0.431 10.283 -4.794 423 1HB ASP 41 2HB ASP 41 0.572 12.661 -3.743 424 2HB ASP 41 1HB ASP 41 1.240 13.142 -5.303 425 QB ASP 41 QB ASP 41 0.906 12.902 -4.523 426 H GLY 42 H GLY 42 1.246 8.940 -6.449 427 1HA GLY 42 2HA GLY 42 2.090 10.344 -8.906 428 2HA GLY 42 1HA GLY 42 3.199 9.119 -8.292 429 QA GLY 42 QA GLY 42 2.644 9.731 -8.599 430 H GLU 43 H GLU 43 1.974 6.965 -7.704 431 HA GLU 43 HA GLU 43 -0.324 6.375 -9.480 432 1HB GLU 43 2HB GLU 43 2.504 5.376 -9.852 433 2HB GLU 43 1HB GLU 43 1.126 4.465 -10.471 434 1HG GLU 43 2HG GLU 43 0.460 6.886 -11.418 435 2HG GLU 43 1HG GLU 43 2.212 7.094 -11.361 436 QB GLU 43 QB GLU 43 1.815 4.920 -10.162 437 QG GLU 43 QG GLU 43 1.336 6.990 -11.389 438 H TRP 44 H TRP 44 -0.851 3.912 -9.237 439 HA TRP 44 HA TRP 44 0.092 2.649 -6.715 440 1HB TRP 44 2HB TRP 44 -2.607 3.927 -7.162 441 2HB TRP 44 1HB TRP 44 -2.482 2.498 -6.129 442 HD1 TRP 44 HD TRP 44 -1.559 6.179 -6.263 443 HE1 TRP 44 1HE TRP 44 -0.612 6.871 -3.963 444 HE3 TRP 44 3HE TRP 44 -1.265 1.601 -4.061 445 HZ2 TRP 44 2HZ TRP 44 0.169 5.627 -1.503 446 HZ3 TRP 44 3HZ TRP 44 -0.419 1.378 -1.732 447 HH2 TRP 44 HH TRP 44 0.303 3.383 -0.462 448 QB TRP 44 QB TRP 44 -2.545 3.212 -6.645 449 H THR 45 H THR 45 0.280 0.524 -7.213 450 HA THR 45 HA THR 45 -1.772 -0.739 -8.986 451 HB THR 45 HB THR 45 -0.093 -1.709 -10.373 452 HG1 THR 45 1HG THR 45 2.141 -1.454 -9.816 453 1HG2 THR 45 1HG2 THR 45 -0.449 0.692 -10.827 454 2HG2 THR 45 3HG2 THR 45 0.865 1.084 -9.715 455 3HG2 THR 45 2HG2 THR 45 1.203 0.202 -11.207 456 QG2 THR 45 QG2 THR 45 0.540 0.659 -10.583 457 H TYR 46 H TYR 46 -2.410 -2.688 -8.191 458 HA TYR 46 HA TYR 46 -1.045 -3.716 -5.760 459 1HB TYR 46 2HB TYR 46 -3.405 -3.344 -5.570 460 2HB TYR 46 1HB TYR 46 -3.727 -4.186 -7.089 461 HD1 TYR 46 2HD TYR 46 -1.777 -4.941 -3.968 462 HD2 TYR 46 1HD TYR 46 -4.720 -6.276 -6.795 463 HE1 TYR 46 2HE TYR 46 -1.960 -7.090 -2.757 464 HE2 TYR 46 1HE TYR 46 -4.897 -8.436 -5.589 465 HH TYR 46 HH TYR 46 -4.473 -9.261 -3.233 466 QB TYR 46 QB TYR 46 -3.566 -3.765 -6.330 467 QG TYR 46 QD TYR 46 -3.248 -5.609 -5.382 468 QZ TYR 46 QE TYR 46 -3.428 -7.763 -4.173 469 QR TYR 46 QR TYR 46 -3.338 -6.686 -4.777 470 H ASP 47 H ASP 47 0.039 -5.672 -5.760 471 HA ASP 47 HA ASP 47 0.218 -7.149 -8.357 472 1HB ASP 47 2HB ASP 47 2.003 -7.163 -5.897 473 2HB ASP 47 1HB ASP 47 2.349 -7.971 -7.422 474 QB ASP 47 QB ASP 47 2.176 -7.567 -6.659 475 H ASP 48 H ASP 48 -1.512 -8.599 -8.213 476 HA ASP 48 HA ASP 48 -2.280 -9.984 -5.797 477 1HB ASP 48 2HB ASP 48 -3.697 -11.266 -7.392 478 2HB ASP 48 1HB ASP 48 -3.796 -9.528 -7.671 479 QB ASP 48 QB ASP 48 -3.746 -10.397 -7.531 480 H ALA 49 H ALA 49 0.442 -10.443 -7.741 481 HA ALA 49 HA ALA 49 0.550 -13.383 -7.428 482 1HB ALA 49 1HB ALA 49 1.308 -11.734 -9.411 483 2HB ALA 49 3HB ALA 49 2.805 -11.726 -8.479 484 3HB ALA 49 2HB ALA 49 2.156 -13.248 -9.091 485 QB ALA 49 QB ALA 49 2.090 -12.236 -8.993 486 H THR 50 H THR 50 1.845 -10.429 -6.031 487 HA THR 50 HA THR 50 3.431 -12.089 -4.100 488 HB THR 50 HB THR 50 5.029 -10.177 -4.100 489 HG1 THR 50 1HG THR 50 4.506 -8.396 -5.062 490 1HG2 THR 50 3HG2 THR 50 5.017 -12.172 -5.799 491 2HG2 THR 50 2HG2 THR 50 4.586 -10.928 -6.973 492 3HG2 THR 50 1HG2 THR 50 6.100 -10.808 -6.076 493 QG2 THR 50 QG2 THR 50 5.234 -11.303 -6.283 494 H LYS 51 H LYS 51 0.671 -10.338 -4.348 495 HA LYS 51 HA LYS 51 -0.645 -9.097 -2.836 496 1HB LYS 51 2HB LYS 51 1.279 -10.554 -0.993 497 2HB LYS 51 1HB LYS 51 -0.166 -9.713 -0.434 498 1HG LYS 51 2HG LYS 51 -0.566 -11.620 -2.674 499 2HG LYS 51 1HG LYS 51 -0.156 -12.336 -1.116 500 1HD LYS 51 2HD LYS 51 -1.993 -10.643 -0.226 501 2HD LYS 51 1HD LYS 51 -2.568 -10.742 -1.891 502 1HE LYS 51 2HE LYS 51 -3.730 -12.497 -0.792 503 2HE LYS 51 1HE LYS 51 -2.362 -13.330 -1.557 504 1HZ LYS 51 1HZ LYS 51 -2.265 -12.199 1.185 505 2HZ LYS 51 3HZ LYS 51 -2.646 -13.820 0.865 506 3HZ LYS 51 2HZ LYS 51 -1.117 -13.210 0.445 507 QB LYS 51 QB LYS 51 0.556 -10.133 -0.713 508 QG LYS 51 QG LYS 51 -0.361 -11.978 -1.895 509 QD LYS 51 QD LYS 51 -2.280 -10.693 -1.059 510 QE LYS 51 QE LYS 51 -3.046 -12.914 -1.175 511 QZ LYS 51 QZ LYS 51 -2.009 -13.076 0.831 512 H THR 52 H THR 52 1.596 -7.707 -4.020 513 HA THR 52 HA THR 52 2.241 -5.780 -1.799 514 HB THR 52 HB THR 52 4.012 -6.441 -4.161 515 HG1 THR 52 1HG THR 52 3.956 -7.595 -1.572 516 1HG2 THR 52 2HG2 THR 52 4.262 -4.920 -1.595 517 2HG2 THR 52 1HG2 THR 52 5.694 -5.704 -2.260 518 3HG2 THR 52 3HG2 THR 52 4.832 -4.491 -3.208 519 QG2 THR 52 QG2 THR 52 4.930 -5.038 -2.354 520 H PHE 53 H PHE 53 1.776 -3.644 -2.281 521 HA PHE 53 HA PHE 53 0.552 -3.052 -4.896 522 1HB PHE 53 2HB PHE 53 0.901 -1.572 -2.283 523 2HB PHE 53 1HB PHE 53 0.122 -0.838 -3.687 524 HD1 PHE 53 2HD PHE 53 -0.032 -3.772 -1.381 525 HD2 PHE 53 1HD PHE 53 -2.155 -1.326 -4.214 526 HE1 PHE 53 2HE PHE 53 -2.152 -4.939 -0.808 527 HE2 PHE 53 1HE PHE 53 -4.259 -2.501 -3.640 528 1HZ PHE 53 HZ PHE 53 -4.255 -4.304 -1.945 529 QB PHE 53 QB PHE 53 0.512 -1.205 -2.985 530 QG PHE 53 QD PHE 53 -1.093 -2.549 -2.798 531 QZ PHE 53 QE PHE 53 -3.205 -3.720 -2.224 532 QZ PHE 53 QR PHE 53 -2.570 -3.368 -2.397 533 H THR 54 H THR 54 1.265 -0.412 -5.430 534 HA THR 54 HA THR 54 4.205 -0.166 -5.327 535 HB THR 54 HB THR 54 2.950 -0.120 -8.049 536 HG1 THR 54 1HG THR 54 2.348 -2.114 -7.788 537 1HG2 THR 54 3HG2 THR 54 5.632 -0.607 -6.816 538 2HG2 THR 54 2HG2 THR 54 5.289 -1.300 -8.401 539 3HG2 THR 54 1HG2 THR 54 5.192 0.445 -8.161 540 QG2 THR 54 QG2 THR 54 5.371 -0.488 -7.793 541 H VAL 55 H VAL 55 4.065 1.885 -4.490 542 HA VAL 55 HA VAL 55 2.292 3.823 -5.903 543 HB VAL 55 HB VAL 55 1.697 3.477 -3.589 544 1HG1 VAL 55 2HG1 VAL 55 4.642 3.939 -3.073 545 2HG1 VAL 55 1HG1 VAL 55 3.421 4.033 -1.799 546 3HG1 VAL 55 3HG1 VAL 55 3.662 2.519 -2.672 547 1HG2 VAL 55 2HG2 VAL 55 3.230 6.069 -3.953 548 2HG2 VAL 55 1HG2 VAL 55 1.526 5.795 -4.307 549 3HG2 VAL 55 3HG2 VAL 55 2.095 5.760 -2.636 550 QG1 VAL 55 QG1 VAL 55 3.909 3.497 -2.514 551 QG2 VAL 55 QG2 VAL 55 2.284 5.875 -3.632 552 QQG VAL 55 QQG VAL 55 3.096 4.686 -3.073 553 H THR 56 H THR 56 3.195 5.523 -6.938 554 HA THR 56 HA THR 56 6.089 6.089 -6.445 555 HB THR 56 HB THR 56 5.165 4.798 -8.592 556 HG1 THR 56 1HG THR 56 7.021 6.901 -8.923 557 1HG2 THR 56 2HG2 THR 56 3.635 6.830 -9.111 558 2HG2 THR 56 1HG2 THR 56 5.113 7.602 -9.686 559 3HG2 THR 56 3HG2 THR 56 4.551 6.106 -10.435 560 QG2 THR 56 QG2 THR 56 4.433 6.846 -9.744 561 H GLU 57 H GLU 57 6.504 8.368 -7.707 562 HA GLU 57 HA GLU 57 4.297 10.240 -6.903 563 1HB GLU 57 2HB GLU 57 6.249 10.019 -5.289 564 2HB GLU 57 1HB GLU 57 7.281 10.678 -6.560 565 1HG GLU 57 2HG GLU 57 6.297 12.781 -6.459 566 2HG GLU 57 1HG GLU 57 4.777 12.153 -5.823 567 QB GLU 57 QB GLU 57 6.765 10.348 -5.924 568 QG GLU 57 QG GLU 57 5.537 12.467 -6.141 No H/Q in entry = 568 Start of MODEL 25 1 1H MET 1 2HT MET 1 -0.882 -12.658 8.412 2 2H MET 1 1HT MET 1 -2.457 -13.251 8.650 3 3H MET 1 3HT MET 1 -1.123 -14.149 9.191 4 HA MET 1 HA MET 1 -0.447 -14.687 6.998 5 1HB MET 1 2HB MET 1 -2.455 -15.795 8.128 6 2HB MET 1 1HB MET 1 -3.473 -14.793 7.093 7 1HG MET 1 2HG MET 1 -2.447 -15.753 5.094 8 2HG MET 1 1HG MET 1 -1.335 -16.695 6.087 9 1HE MET 1 1HE MET 1 -4.082 -16.506 4.096 10 2HE MET 1 3HE MET 1 -3.545 -18.174 3.852 11 3HE MET 1 2HE MET 1 -5.178 -17.845 4.424 12 QB MET 1 QB MET 1 -2.964 -15.294 7.611 13 QG MET 1 QG MET 1 -1.891 -16.224 5.590 14 QE MET 1 QE MET 1 -4.269 -17.509 4.124 15 H THR 2 H THR 2 -3.145 -12.352 7.004 16 HA THR 2 HA THR 2 -2.833 -11.792 4.125 17 HB THR 2 HB THR 2 -4.523 -10.478 6.279 18 HG1 THR 2 1HG THR 2 -6.082 -11.946 5.669 19 1HG2 THR 2 2HG2 THR 2 -4.459 -10.375 3.276 20 2HG2 THR 2 1HG2 THR 2 -5.980 -10.127 4.133 21 3HG2 THR 2 3HG2 THR 2 -4.614 -9.049 4.427 22 QG2 THR 2 QG2 THR 2 -5.018 -9.850 3.946 23 H THR 3 H THR 3 -0.406 -11.212 5.113 24 HA THR 3 HA THR 3 -0.259 -8.389 5.991 25 HB THR 3 HB THR 3 1.935 -10.371 5.311 26 HG1 THR 3 1HG THR 3 1.099 -11.407 6.936 27 1HG2 THR 3 1HG2 THR 3 2.144 -7.708 5.832 28 2HG2 THR 3 3HG2 THR 3 2.223 -8.364 7.468 29 3HG2 THR 3 2HG2 THR 3 3.388 -8.887 6.252 30 QG2 THR 3 QG2 THR 3 2.585 -8.320 6.517 31 H PHE 4 H PHE 4 -0.476 -6.889 4.368 32 HA PHE 4 HA PHE 4 0.529 -7.511 1.634 33 1HB PHE 4 2HB PHE 4 -1.276 -5.435 2.886 34 2HB PHE 4 1HB PHE 4 -0.708 -5.278 1.223 35 HD1 PHE 4 2HD PHE 4 -1.014 -7.398 -0.297 36 HD2 PHE 4 1HD PHE 4 -3.205 -6.678 3.324 37 HE1 PHE 4 2HE PHE 4 -2.765 -8.984 -1.046 38 HE2 PHE 4 1HE PHE 4 -4.957 -8.257 2.571 39 1HZ PHE 4 HZ PHE 4 -4.739 -9.415 0.392 40 QB PHE 4 QB PHE 4 -0.992 -5.356 2.055 41 QG PHE 4 QD PHE 4 -2.109 -7.038 1.513 42 QZ PHE 4 QE PHE 4 -3.861 -8.620 0.763 43 QZ PHE 4 QR PHE 4 -3.336 -8.146 0.989 44 H LYS 5 H LYS 5 2.058 -6.132 0.603 45 HA LYS 5 HA LYS 5 3.647 -4.402 2.468 46 1HB LYS 5 2HB LYS 5 4.341 -6.065 0.028 47 2HB LYS 5 1HB LYS 5 5.475 -4.934 0.765 48 1HG LYS 5 2HG LYS 5 6.073 -6.599 2.166 49 2HG LYS 5 1HG LYS 5 4.492 -6.420 2.926 50 1HD LYS 5 2HD LYS 5 3.548 -8.044 1.302 51 2HD LYS 5 1HD LYS 5 5.154 -8.256 0.604 52 1HE LYS 5 2HE LYS 5 5.965 -8.944 2.911 53 2HE LYS 5 1HE LYS 5 4.263 -8.968 3.417 54 1HZ LYS 5 3HZ LYS 5 5.383 -10.442 1.090 55 2HZ LYS 5 2HZ LYS 5 4.980 -11.141 2.586 56 3HZ LYS 5 1HZ LYS 5 3.766 -10.471 1.603 57 QB LYS 5 QB LYS 5 4.908 -5.499 0.397 58 QG LYS 5 QG LYS 5 5.282 -6.509 2.546 59 QD LYS 5 QD LYS 5 4.351 -8.150 0.953 60 QE LYS 5 QE LYS 5 5.114 -8.956 3.164 61 QZ LYS 5 QZ LYS 5 4.709 -10.685 1.759 62 H LEU 6 H LEU 6 5.118 -2.969 0.629 63 HA LEU 6 HA LEU 6 3.469 -1.853 -1.506 64 1HB LEU 6 2HB LEU 6 2.336 -0.969 0.482 65 2HB LEU 6 1HB LEU 6 3.863 -0.353 1.108 66 HG LEU 6 HG LEU 6 3.975 0.959 -1.156 67 1HD1 LEU 6 3HD1 LEU 6 1.107 0.049 -0.997 68 2HD1 LEU 6 2HD1 LEU 6 1.524 1.577 -1.775 69 3HD1 LEU 6 1HD1 LEU 6 2.184 0.062 -2.393 70 1HD2 LEU 6 2HD2 LEU 6 3.363 1.693 1.334 71 2HD2 LEU 6 1HD2 LEU 6 3.188 2.815 -0.016 72 3HD2 LEU 6 3HD2 LEU 6 1.778 1.961 0.609 73 QB LEU 6 QB LEU 6 3.099 -0.661 0.795 74 QD1 LEU 6 QD1 LEU 6 1.605 0.563 -1.722 75 QD2 LEU 6 QD2 LEU 6 2.776 2.156 0.643 76 QQD LEU 6 QQD LEU 6 2.190 1.359 -0.539 77 H ILE 7 H ILE 7 5.303 -1.934 -2.843 78 HA ILE 7 HA ILE 7 7.885 -0.839 -1.964 79 HB ILE 7 HB ILE 7 6.824 -1.848 -4.633 80 1HG1 ILE 7 2HG1 ILE 7 8.784 -3.303 -2.888 81 2HG1 ILE 7 1HG1 ILE 7 7.069 -3.371 -2.481 82 1HG2 ILE 7 2HG2 ILE 7 9.459 -0.771 -3.742 83 2HG2 ILE 7 1HG2 ILE 7 9.488 -2.186 -4.795 84 3HG2 ILE 7 3HG2 ILE 7 8.696 -0.703 -5.331 85 1HD1 ILE 7 1HD1 ILE 7 6.868 -3.882 -5.103 86 2HD1 ILE 7 3HD1 ILE 7 8.503 -4.491 -4.844 87 3HD1 ILE 7 2HD1 ILE 7 7.156 -5.163 -3.925 88 QG1 ILE 7 QG1 ILE 7 7.926 -3.337 -2.684 89 QG2 ILE 7 QG2 ILE 7 9.214 -1.220 -4.623 90 QD1 ILE 7 QD1 ILE 7 7.509 -4.512 -4.624 91 H ILE 8 H ILE 8 8.421 1.304 -2.239 92 HA ILE 8 HA ILE 8 6.485 2.979 -3.725 93 HB ILE 8 HB ILE 8 8.777 3.956 -2.021 94 1HG1 ILE 8 2HG1 ILE 8 7.469 2.252 -0.728 95 2HG1 ILE 8 1HG1 ILE 8 7.317 3.866 -0.060 96 1HG2 ILE 8 2HG2 ILE 8 6.022 5.056 -2.680 97 2HG2 ILE 8 1HG2 ILE 8 7.220 5.850 -1.649 98 3HG2 ILE 8 3HG2 ILE 8 7.554 5.610 -3.366 99 1HD1 ILE 8 2HD1 ILE 8 5.311 2.798 -2.034 100 2HD1 ILE 8 1HD1 ILE 8 5.161 2.468 -0.309 101 3HD1 ILE 8 3HD1 ILE 8 5.124 4.133 -0.892 102 QG1 ILE 8 QG1 ILE 8 7.393 3.059 -0.394 103 QG2 ILE 8 QG2 ILE 8 6.932 5.505 -2.565 104 QD1 ILE 8 QD1 ILE 8 5.199 3.133 -1.079 105 H ASN 9 H ASN 9 7.033 3.422 -5.843 106 HA ASN 9 HA ASN 9 9.809 3.159 -6.782 107 1HB ASN 9 2HB ASN 9 7.614 4.402 -8.425 108 2HB ASN 9 1HB ASN 9 8.893 3.315 -8.934 109 1HD2 ASN 9 2HD2 ASN 9 5.358 1.711 -8.445 110 2HD2 ASN 9 1HD2 ASN 9 5.698 3.313 -8.908 111 QB ASN 9 QB ASN 9 8.254 3.858 -8.679 112 QD2 ASN 9 QD2 ASN 9 5.528 2.512 -8.677 113 H GLY 10 H GLY 10 9.831 5.312 -8.672 114 1HA GLY 10 2HA GLY 10 10.493 7.555 -8.829 115 2HA GLY 10 1HA GLY 10 9.312 7.878 -7.557 116 QA GLY 10 QA GLY 10 9.902 7.716 -8.193 117 H LYS 11 H LYS 11 10.330 9.005 -5.982 118 HA LYS 11 HA LYS 11 12.782 7.849 -4.759 119 1HB LYS 11 2HB LYS 11 13.894 10.072 -4.910 120 2HB LYS 11 1HB LYS 11 13.537 9.410 -6.504 121 1HG LYS 11 2HG LYS 11 11.585 10.823 -6.730 122 2HG LYS 11 1HG LYS 11 11.733 11.372 -5.059 123 1HD LYS 11 2HD LYS 11 14.186 12.041 -5.928 124 2HD LYS 11 1HD LYS 11 13.317 12.154 -7.458 125 1HE LYS 11 2HE LYS 11 12.411 13.521 -4.899 126 2HE LYS 11 1HE LYS 11 13.324 14.325 -6.192 127 1HZ LYS 11 2HZ LYS 11 11.604 13.547 -7.765 128 2HZ LYS 11 1HZ LYS 11 10.694 12.964 -6.453 129 3HZ LYS 11 3HZ LYS 11 10.992 14.627 -6.606 130 QB LYS 11 QB LYS 11 13.715 9.741 -5.707 131 QG LYS 11 QG LYS 11 11.659 11.097 -5.895 132 QD LYS 11 QD LYS 11 13.751 12.098 -6.693 133 QE LYS 11 QE LYS 11 12.867 13.923 -5.546 134 QZ LYS 11 QZ LYS 11 11.096 13.713 -6.941 135 H THR 12 H THR 12 9.852 8.359 -4.037 136 HA THR 12 HA THR 12 10.188 10.241 -1.745 137 HB THR 12 HB THR 12 7.661 10.040 -1.739 138 HG1 THR 12 1HG THR 12 7.307 8.136 -2.728 139 1HG2 THR 12 3HG2 THR 12 9.142 11.720 -3.100 140 2HG2 THR 12 2HG2 THR 12 8.588 10.793 -4.494 141 3HG2 THR 12 1HG2 THR 12 7.418 11.606 -3.454 142 QG2 THR 12 QG2 THR 12 8.383 11.373 -3.683 143 H LEU 13 H LEU 13 10.819 9.232 0.082 144 HA LEU 13 HA LEU 13 10.852 7.768 1.878 145 1HB LEU 13 2HB LEU 13 8.754 7.269 2.563 146 2HB LEU 13 1HB LEU 13 8.231 8.045 1.080 147 HG LEU 13 HG LEU 13 8.399 5.720 0.005 148 1HD1 LEU 13 3HD1 LEU 13 9.598 5.024 2.357 149 2HD1 LEU 13 2HD1 LEU 13 7.936 4.526 2.668 150 3HD1 LEU 13 1HD1 LEU 13 8.807 3.873 1.281 151 1HD2 LEU 13 2HD2 LEU 13 6.332 7.044 1.049 152 2HD2 LEU 13 1HD2 LEU 13 6.152 5.407 0.412 153 3HD2 LEU 13 3HD2 LEU 13 6.333 5.666 2.149 154 QB LEU 13 QB LEU 13 8.493 7.657 1.822 155 QD1 LEU 13 QD1 LEU 13 8.780 4.474 2.102 156 QD2 LEU 13 QD2 LEU 13 6.272 6.039 1.203 157 QQD LEU 13 QQD LEU 13 7.526 5.257 1.653 158 H LYS 14 H LYS 14 9.918 5.910 -1.105 159 HA LYS 14 HA LYS 14 10.759 3.860 -1.912 160 1HB LYS 14 2HB LYS 14 13.009 5.503 -0.839 161 2HB LYS 14 1HB LYS 14 13.372 3.849 -1.334 162 1HG LYS 14 2HG LYS 14 11.781 5.664 -3.136 163 2HG LYS 14 1HG LYS 14 13.543 5.740 -3.119 164 1HD LYS 14 2HD LYS 14 12.192 3.071 -3.375 165 2HD LYS 14 1HD LYS 14 12.326 4.112 -4.792 166 1HE LYS 14 2HE LYS 14 14.712 4.114 -4.699 167 2HE LYS 14 1HE LYS 14 14.720 3.439 -3.058 168 1HZ LYS 14 2HZ LYS 14 13.572 1.470 -3.935 169 2HZ LYS 14 1HZ LYS 14 13.700 2.099 -5.508 170 3HZ LYS 14 3HZ LYS 14 15.100 1.681 -4.648 171 QB LYS 14 QB LYS 14 13.190 4.676 -1.087 172 QG LYS 14 QG LYS 14 12.662 5.702 -3.128 173 QD LYS 14 QD LYS 14 12.259 3.592 -4.083 174 QE LYS 14 QE LYS 14 14.716 3.777 -3.879 175 QZ LYS 14 QZ LYS 14 14.124 1.750 -4.697 176 H GLY 15 H GLY 15 9.690 2.285 -0.599 177 1HA GLY 15 2HA GLY 15 11.377 0.708 1.113 178 2HA GLY 15 1HA GLY 15 10.255 1.653 2.090 179 QA GLY 15 QA GLY 15 10.816 1.181 1.602 180 H GLU 16 H GLU 16 10.033 -1.040 2.239 181 HA GLU 16 HA GLU 16 7.522 -1.635 0.710 182 1HB GLU 16 2HB GLU 16 9.627 -2.789 -0.087 183 2HB GLU 16 1HB GLU 16 9.733 -3.556 1.498 184 1HG GLU 16 2HG GLU 16 7.369 -4.417 1.106 185 2HG GLU 16 1HG GLU 16 7.539 -3.873 -0.563 186 QB GLU 16 QB GLU 16 9.680 -3.172 0.705 187 QG GLU 16 QG GLU 16 7.454 -4.145 0.271 188 H ILE 17 H ILE 17 7.191 -0.485 3.130 189 HA ILE 17 HA ILE 17 7.354 -2.102 5.467 190 HB ILE 17 HB ILE 17 6.911 0.326 5.403 191 1HG1 ILE 17 2HG1 ILE 17 4.819 0.269 6.956 192 2HG1 ILE 17 1HG1 ILE 17 4.912 -1.481 6.757 193 1HG2 ILE 17 2HG2 ILE 17 5.070 -0.306 3.439 194 2HG2 ILE 17 1HG2 ILE 17 4.041 0.078 4.818 195 3HG2 ILE 17 3HG2 ILE 17 5.212 1.261 4.234 196 1HD1 ILE 17 3HD1 ILE 17 7.291 -1.400 7.506 197 2HD1 ILE 17 2HD1 ILE 17 7.107 0.328 7.805 198 3HD1 ILE 17 1HD1 ILE 17 6.171 -0.834 8.744 199 QG1 ILE 17 QG1 ILE 17 4.865 -0.606 6.856 200 QG2 ILE 17 QG2 ILE 17 4.774 0.344 4.164 201 QD1 ILE 17 QD1 ILE 17 6.856 -0.635 8.018 202 H THR 18 H THR 18 6.145 -3.823 6.165 203 HA THR 18 HA THR 18 3.919 -4.777 4.426 204 HB THR 18 HB THR 18 4.323 -6.907 5.568 205 HG1 THR 18 1HG THR 18 6.296 -5.567 7.086 206 1HG2 THR 18 3HG2 THR 18 6.207 -5.561 3.971 207 2HG2 THR 18 2HG2 THR 18 7.142 -6.296 5.273 208 3HG2 THR 18 1HG2 THR 18 6.108 -7.298 4.256 209 QG2 THR 18 QG2 THR 18 6.486 -6.385 4.500 210 H ILE 19 H ILE 19 1.817 -4.961 5.213 211 HA ILE 19 HA ILE 19 1.333 -4.426 8.113 212 HB ILE 19 HB ILE 19 -0.384 -2.756 7.485 213 1HG1 ILE 19 2HG1 ILE 19 0.055 -1.996 4.921 214 2HG1 ILE 19 1HG1 ILE 19 0.324 -3.732 4.765 215 1HG2 ILE 19 2HG2 ILE 19 2.084 -2.173 7.836 216 2HG2 ILE 19 1HG2 ILE 19 2.202 -2.071 6.079 217 3HG2 ILE 19 3HG2 ILE 19 1.121 -0.987 6.954 218 1HD1 ILE 19 3HD1 ILE 19 -1.912 -3.817 6.237 219 2HD1 ILE 19 2HD1 ILE 19 -2.173 -2.254 5.463 220 3HD1 ILE 19 1HD1 ILE 19 -1.963 -3.701 4.478 221 QG1 ILE 19 QG1 ILE 19 0.190 -2.864 4.843 222 QG2 ILE 19 QG2 ILE 19 1.802 -1.744 6.956 223 QD1 ILE 19 QD1 ILE 19 -2.016 -3.257 5.392 224 H GLU 20 H GLU 20 -0.588 -5.387 8.902 225 HA GLU 20 HA GLU 20 -1.710 -7.537 7.201 226 1HB GLU 20 2HB GLU 20 -2.667 -8.276 9.370 227 2HB GLU 20 1HB GLU 20 -0.933 -7.987 9.498 228 1HG GLU 20 2HG GLU 20 -2.442 -5.552 10.044 229 2HG GLU 20 1HG GLU 20 -2.946 -6.864 11.109 230 QB GLU 20 QB GLU 20 -1.800 -8.131 9.434 231 QG GLU 20 QG GLU 20 -2.694 -6.208 10.576 232 H ALA 21 H ALA 21 -4.019 -7.753 6.867 233 HA ALA 21 HA ALA 21 -5.881 -5.682 7.741 234 1HB ALA 21 2HB ALA 21 -4.565 -5.651 5.040 235 2HB ALA 21 1HB ALA 21 -6.220 -5.063 5.197 236 3HB ALA 21 3HB ALA 21 -4.923 -4.301 6.117 237 QB ALA 21 QB ALA 21 -5.236 -5.005 5.451 238 H VAL 22 H VAL 22 -8.070 -6.069 6.794 239 HA VAL 22 HA VAL 22 -8.906 -8.749 6.838 240 HB VAL 22 HB VAL 22 -10.345 -6.776 7.148 241 1HG1 VAL 22 1HG1 VAL 22 -9.133 -5.554 5.181 242 2HG1 VAL 22 3HG1 VAL 22 -10.342 -6.344 4.169 243 3HG1 VAL 22 2HG1 VAL 22 -10.847 -5.240 5.447 244 1HG2 VAL 22 3HG2 VAL 22 -11.120 -9.093 6.066 245 2HG2 VAL 22 2HG2 VAL 22 -12.248 -7.754 6.275 246 3HG2 VAL 22 1HG2 VAL 22 -11.504 -8.043 4.702 247 QG1 VAL 22 QG1 VAL 22 -10.107 -5.713 4.932 248 QG2 VAL 22 QG2 VAL 22 -11.624 -8.297 5.681 249 QQG VAL 22 QQG VAL 22 -10.865 -7.005 5.307 250 H ASP 23 H ASP 23 -8.015 -6.734 4.055 251 HA ASP 23 HA ASP 23 -7.378 -9.090 2.437 252 1HB ASP 23 2HB ASP 23 -9.073 -8.518 0.693 253 2HB ASP 23 1HB ASP 23 -9.823 -8.977 2.219 254 QB ASP 23 QB ASP 23 -9.448 -8.747 1.456 255 H ALA 24 H ALA 24 -6.737 -8.221 0.115 256 HA ALA 24 HA ALA 24 -4.725 -6.231 0.411 257 1HB ALA 24 3HB ALA 24 -5.219 -8.090 -1.400 258 2HB ALA 24 2HB ALA 24 -6.061 -6.778 -2.225 259 3HB ALA 24 1HB ALA 24 -4.340 -6.630 -1.858 260 QB ALA 24 QB ALA 24 -5.207 -7.166 -1.827 261 H ALA 25 H ALA 25 -8.133 -5.974 -0.465 262 HA ALA 25 HA ALA 25 -8.216 -3.392 -1.604 263 1HB ALA 25 1HB ALA 25 -10.059 -5.153 -0.035 264 2HB ALA 25 3HB ALA 25 -10.558 -3.489 -0.336 265 3HB ALA 25 2HB ALA 25 -10.222 -4.567 -1.690 266 QB ALA 25 QB ALA 25 -10.280 -4.403 -0.687 267 H GLU 26 H GLU 26 -8.558 -4.349 1.818 268 HA GLU 26 HA GLU 26 -8.685 -1.674 2.882 269 1HB GLU 26 2HB GLU 26 -9.417 -3.775 4.018 270 2HB GLU 26 1HB GLU 26 -7.730 -4.275 4.133 271 1HG GLU 26 2HG GLU 26 -7.890 -3.257 6.183 272 2HG GLU 26 1HG GLU 26 -7.532 -1.817 5.230 273 QB GLU 26 QB GLU 26 -8.574 -4.025 4.076 274 QG GLU 26 QG GLU 26 -7.711 -2.537 5.706 275 H ALA 27 H ALA 27 -6.019 -3.971 2.333 276 HA ALA 27 HA ALA 27 -3.883 -2.554 3.551 277 1HB ALA 27 1HB ALA 27 -4.280 -4.596 1.453 278 2HB ALA 27 3HB ALA 27 -2.764 -3.704 1.318 279 3HB ALA 27 2HB ALA 27 -3.145 -4.584 2.801 280 QB ALA 27 QB ALA 27 -3.396 -4.294 1.857 281 H GLU 28 H GLU 28 -5.177 -2.299 0.224 282 HA GLU 28 HA GLU 28 -3.373 -0.328 -0.766 283 1HB GLU 28 2HB GLU 28 -5.230 -1.763 -1.909 284 2HB GLU 28 1HB GLU 28 -6.311 -0.445 -1.457 285 1HG GLU 28 2HG GLU 28 -4.478 1.080 -2.548 286 2HG GLU 28 1HG GLU 28 -3.975 -0.402 -3.360 287 QB GLU 28 QB GLU 28 -5.770 -1.104 -1.683 288 QG GLU 28 QG GLU 28 -4.226 0.339 -2.954 289 H LYS 29 H LYS 29 -6.382 -0.029 1.119 290 HA LYS 29 HA LYS 29 -6.530 2.865 1.027 291 1HB LYS 29 2HB LYS 29 -7.566 0.824 3.031 292 2HB LYS 29 1HB LYS 29 -8.115 2.495 2.910 293 1HG LYS 29 2HG LYS 29 -8.438 1.720 0.334 294 2HG LYS 29 1HG LYS 29 -8.705 0.179 1.149 295 1HD LYS 29 2HD LYS 29 -10.850 1.217 1.026 296 2HD LYS 29 1HD LYS 29 -10.314 1.433 2.692 297 1HE LYS 29 2HE LYS 29 -10.200 3.702 2.475 298 2HE LYS 29 1HE LYS 29 -9.460 3.598 0.866 299 1HZ LYS 29 1HZ LYS 29 -12.308 2.968 1.434 300 2HZ LYS 29 3HZ LYS 29 -11.773 4.462 0.834 301 3HZ LYS 29 2HZ LYS 29 -11.565 3.054 -0.092 302 QB LYS 29 QB LYS 29 -7.841 1.660 2.971 303 QG LYS 29 QG LYS 29 -8.571 0.949 0.742 304 QD LYS 29 QD LYS 29 -10.582 1.325 1.859 305 QE LYS 29 QE LYS 29 -9.830 3.650 1.671 306 QZ LYS 29 QZ LYS 29 -11.882 3.495 0.726 307 H ILE 30 H ILE 30 -5.354 0.568 3.507 308 HA ILE 30 HA ILE 30 -4.339 2.464 5.381 309 HB ILE 30 HB ILE 30 -3.418 -0.341 4.633 310 1HG1 ILE 30 2HG1 ILE 30 -5.263 0.585 6.858 311 2HG1 ILE 30 1HG1 ILE 30 -5.828 -0.065 5.319 312 1HG2 ILE 30 2HG2 ILE 30 -2.584 1.565 6.758 313 2HG2 ILE 30 1HG2 ILE 30 -2.863 -0.099 7.275 314 3HG2 ILE 30 3HG2 ILE 30 -1.682 0.246 6.012 315 1HD1 ILE 30 3HD1 ILE 30 -4.063 -1.999 6.001 316 2HD1 ILE 30 2HD1 ILE 30 -4.556 -1.464 7.609 317 3HD1 ILE 30 1HD1 ILE 30 -5.765 -2.047 6.464 318 QG1 ILE 30 QG1 ILE 30 -5.545 0.260 6.088 319 QG2 ILE 30 QG2 ILE 30 -2.376 0.571 6.682 320 QD1 ILE 30 QD1 ILE 30 -4.794 -1.837 6.692 321 H PHE 31 H PHE 31 -2.882 0.946 2.527 322 HA PHE 31 HA PHE 31 -0.264 2.175 2.844 323 1HB PHE 31 2HB PHE 31 -1.794 0.642 0.757 324 2HB PHE 31 1HB PHE 31 -0.298 1.451 0.289 325 HD1 PHE 31 1HD PHE 31 1.523 1.185 2.429 326 HD2 PHE 31 2HD PHE 31 -1.461 -1.624 1.143 327 HE1 PHE 31 1HE PHE 31 2.838 -0.667 3.427 328 HE2 PHE 31 2HE PHE 31 -0.146 -3.476 2.143 329 1HZ PHE 31 HZ PHE 31 2.003 -2.997 3.285 330 QB PHE 31 QB PHE 31 -1.046 1.047 0.523 331 QG PHE 31 QD PHE 31 0.031 -0.219 1.786 332 QZ PHE 31 QE PHE 31 1.346 -2.072 2.785 333 QZ PHE 31 QR PHE 31 0.951 -1.516 2.485 334 H LYS 32 H LYS 32 -3.242 2.939 1.083 335 HA LYS 32 HA LYS 32 -2.156 5.211 -0.326 336 1HB LYS 32 2HB LYS 32 -4.870 4.036 0.162 337 2HB LYS 32 1HB LYS 32 -4.704 5.592 -0.648 338 1HG LYS 32 2HG LYS 32 -3.340 4.638 -2.387 339 2HG LYS 32 1HG LYS 32 -3.224 3.101 -1.531 340 1HD LYS 32 2HD LYS 32 -4.887 2.893 -3.300 341 2HD LYS 32 1HD LYS 32 -5.709 2.857 -1.739 342 1HE LYS 32 2HE LYS 32 -6.700 4.922 -2.060 343 2HE LYS 32 1HE LYS 32 -5.352 5.529 -3.043 344 1HZ LYS 32 3HZ LYS 32 -7.279 3.423 -3.874 345 2HZ LYS 32 2HZ LYS 32 -7.292 5.033 -4.418 346 3HZ LYS 32 1HZ LYS 32 -5.990 4.012 -4.807 347 QB LYS 32 QB LYS 32 -4.787 4.814 -0.243 348 QG LYS 32 QG LYS 32 -3.282 3.870 -1.959 349 QD LYS 32 QD LYS 32 -5.298 2.875 -2.520 350 QE LYS 32 QE LYS 32 -6.026 5.225 -2.551 351 QZ LYS 32 QZ LYS 32 -6.854 4.156 -4.366 352 H GLN 33 H GLN 33 -2.776 4.843 2.938 353 HA GLN 33 HA GLN 33 -3.635 7.714 3.278 354 1HB GLN 33 2HB GLN 33 -4.993 5.916 4.385 355 2HB GLN 33 1HB GLN 33 -3.538 5.350 5.206 356 1HG GLN 33 2HG GLN 33 -3.667 8.125 5.730 357 2HG GLN 33 1HG GLN 33 -5.313 7.528 5.931 358 1HE2 GLN 33 2HE2 GLN 33 -3.251 7.056 9.104 359 2HE2 GLN 33 1HE2 GLN 33 -3.450 8.400 8.087 360 QB GLN 33 QB GLN 33 -4.265 5.633 4.796 361 QG GLN 33 QG GLN 33 -4.490 7.827 5.831 362 QE2 GLN 33 QE2 GLN 33 -3.350 7.728 8.595 363 H TYR 34 H TYR 34 -1.491 5.161 4.289 364 HA TYR 34 HA TYR 34 0.482 6.463 5.822 365 1HB TYR 34 2HB TYR 34 0.423 4.111 5.664 366 2HB TYR 34 1HB TYR 34 0.181 4.147 3.913 367 HD1 TYR 34 1HD TYR 34 2.171 4.740 2.435 368 HD2 TYR 34 2HD TYR 34 2.591 3.963 6.639 369 HE1 TYR 34 1HE TYR 34 4.605 4.378 2.125 370 HE2 TYR 34 2HE TYR 34 5.026 3.601 6.330 371 HH TYR 34 HH TYR 34 6.580 2.994 4.550 372 QB TYR 34 QB TYR 34 0.302 4.129 4.788 373 QG TYR 34 QD TYR 34 2.381 4.351 4.537 374 QZ TYR 34 QE TYR 34 4.815 3.990 4.227 375 QR TYR 34 QR TYR 34 3.598 4.170 4.382 376 H ALA 35 H ALA 35 0.120 6.123 2.297 377 HA ALA 35 HA ALA 35 2.563 7.358 1.434 378 1HB ALA 35 1HB ALA 35 -0.171 6.805 0.321 379 2HB ALA 35 3HB ALA 35 0.912 7.858 -0.591 380 3HB ALA 35 2HB ALA 35 1.395 6.200 -0.220 381 QB ALA 35 QB ALA 35 0.712 6.954 -0.163 382 H ASN 36 H ASN 36 -0.716 8.722 1.914 383 HA ASN 36 HA ASN 36 -0.155 11.412 1.179 384 1HB ASN 36 2HB ASN 36 -2.120 10.007 2.961 385 2HB ASN 36 1HB ASN 36 -2.108 11.769 2.895 386 1HD2 ASN 36 2HD2 ASN 36 -3.264 9.660 -0.435 387 2HD2 ASN 36 1HD2 ASN 36 -2.377 8.877 0.783 388 QB ASN 36 QB ASN 36 -2.114 10.888 2.928 389 QD2 ASN 36 QD2 ASN 36 -2.821 9.268 0.174 390 H ASP 37 H ASP 37 -0.063 9.877 4.410 391 HA ASP 37 HA ASP 37 0.680 12.110 5.960 392 1HB ASP 37 2HB ASP 37 0.105 9.620 6.528 393 2HB ASP 37 1HB ASP 37 1.847 9.374 6.402 394 QB ASP 37 QB ASP 37 0.976 9.497 6.465 395 H ASN 38 H ASN 38 2.590 10.257 3.735 396 HA ASN 38 HA ASN 38 5.089 11.541 4.626 397 1HB ASN 38 2HB ASN 38 4.315 9.155 2.981 398 2HB ASN 38 1HB ASN 38 5.937 9.829 2.820 399 1HD2 ASN 38 2HD2 ASN 38 6.767 9.063 6.295 400 2HD2 ASN 38 1HD2 ASN 38 6.946 10.327 5.176 401 QB ASN 38 QB ASN 38 5.126 9.492 2.900 402 QD2 ASN 38 QD2 ASN 38 6.857 9.695 5.736 403 H GLY 39 H GLY 39 2.760 11.530 2.017 404 1HA GLY 39 2HA GLY 39 2.591 13.473 0.530 405 2HA GLY 39 1HA GLY 39 4.342 13.662 0.649 406 QA GLY 39 QA GLY 39 3.466 13.567 0.589 407 H ILE 40 H ILE 40 2.639 10.613 0.144 408 HA ILE 40 HA ILE 40 4.176 10.209 -2.368 409 HB ILE 40 HB ILE 40 2.894 8.598 -0.212 410 1HG1 ILE 40 2HG1 ILE 40 5.042 7.335 -0.470 411 2HG1 ILE 40 1HG1 ILE 40 5.492 8.477 -1.738 412 1HG2 ILE 40 1HG2 ILE 40 1.905 7.655 -2.323 413 2HG2 ILE 40 3HG2 ILE 40 3.551 7.337 -2.877 414 3HG2 ILE 40 2HG2 ILE 40 2.931 6.531 -1.433 415 1HD1 ILE 40 2HD1 ILE 40 4.662 9.343 1.032 416 2HD1 ILE 40 1HD1 ILE 40 6.346 9.055 0.582 417 3HD1 ILE 40 3HD1 ILE 40 5.421 10.323 -0.228 418 QG1 ILE 40 QG1 ILE 40 5.267 7.906 -1.104 419 QG2 ILE 40 QG2 ILE 40 2.796 7.174 -2.211 420 QD1 ILE 40 QD1 ILE 40 5.476 9.574 0.462 421 H ASP 41 H ASP 41 3.143 10.766 -4.202 422 HA ASP 41 HA ASP 41 0.360 9.897 -4.691 423 1HB ASP 41 2HB ASP 41 0.470 12.169 -3.431 424 2HB ASP 41 1HB ASP 41 1.035 12.825 -4.968 425 QB ASP 41 QB ASP 41 0.752 12.497 -4.200 426 H GLY 42 H GLY 42 1.004 8.786 -6.561 427 1HA GLY 42 2HA GLY 42 1.512 10.361 -8.945 428 2HA GLY 42 1HA GLY 42 2.925 9.427 -8.453 429 QA GLY 42 QA GLY 42 2.218 9.894 -8.699 430 H GLU 43 H GLU 43 2.284 7.020 -7.885 431 HA GLU 43 HA GLU 43 0.337 6.019 -9.941 432 1HB GLU 43 2HB GLU 43 3.102 4.986 -9.212 433 2HB GLU 43 1HB GLU 43 2.009 4.222 -10.370 434 1HG GLU 43 2HG GLU 43 2.971 7.085 -10.622 435 2HG GLU 43 1HG GLU 43 3.742 5.720 -11.429 436 QB GLU 43 QB GLU 43 2.555 4.604 -9.791 437 QG GLU 43 QG GLU 43 3.356 6.402 -11.026 438 H TRP 44 H TRP 44 -0.259 3.675 -9.499 439 HA TRP 44 HA TRP 44 0.054 2.601 -6.772 440 1HB TRP 44 2HB TRP 44 -2.397 4.073 -7.727 441 2HB TRP 44 1HB TRP 44 -2.612 2.647 -6.702 442 HD1 TRP 44 HD TRP 44 -1.699 6.273 -6.527 443 HE1 TRP 44 1HE TRP 44 -1.057 6.860 -4.095 444 HE3 TRP 44 3HE TRP 44 -1.467 1.596 -4.579 445 HZ2 TRP 44 2HZ TRP 44 -0.508 5.490 -1.633 446 HZ3 TRP 44 3HZ TRP 44 -0.883 1.246 -2.184 447 HH2 TRP 44 HH TRP 44 -0.399 3.188 -0.720 448 QB TRP 44 QB TRP 44 -2.505 3.360 -7.215 449 H THR 45 H THR 45 0.269 0.454 -7.239 450 HA THR 45 HA THR 45 -1.725 -0.820 -9.058 451 HB THR 45 HB THR 45 -0.041 -1.828 -10.415 452 HG1 THR 45 1HG THR 45 1.700 -0.963 -8.375 453 1HG2 THR 45 2HG2 THR 45 -0.409 0.558 -10.929 454 2HG2 THR 45 1HG2 THR 45 0.904 0.987 -9.831 455 3HG2 THR 45 3HG2 THR 45 1.244 0.067 -11.298 456 QG2 THR 45 QG2 THR 45 0.580 0.537 -10.686 457 H TYR 46 H TYR 46 -2.387 -2.738 -8.210 458 HA TYR 46 HA TYR 46 -1.041 -3.725 -5.757 459 1HB TYR 46 2HB TYR 46 -3.419 -3.387 -5.637 460 2HB TYR 46 1HB TYR 46 -3.683 -4.283 -7.135 461 HD1 TYR 46 2HD TYR 46 -1.739 -4.932 -3.984 462 HD2 TYR 46 1HD TYR 46 -4.700 -6.352 -6.753 463 HE1 TYR 46 2HE TYR 46 -1.924 -7.043 -2.703 464 HE2 TYR 46 1HE TYR 46 -4.876 -8.471 -5.474 465 HH TYR 46 HH TYR 46 -2.805 -9.651 -3.578 466 QB TYR 46 QB TYR 46 -3.551 -3.835 -6.386 467 QG TYR 46 QD TYR 46 -3.219 -5.642 -5.368 468 QZ TYR 46 QE TYR 46 -3.400 -7.757 -4.088 469 QR TYR 46 QR TYR 46 -3.310 -6.699 -4.728 470 H ASP 47 H ASP 47 -0.143 -5.791 -5.612 471 HA ASP 47 HA ASP 47 0.196 -7.277 -8.193 472 1HB ASP 47 2HB ASP 47 2.137 -6.123 -6.848 473 2HB ASP 47 1HB ASP 47 1.980 -7.518 -5.780 474 QB ASP 47 QB ASP 47 2.059 -6.820 -6.314 475 H ASP 48 H ASP 48 -1.552 -8.723 -7.992 476 HA ASP 48 HA ASP 48 -2.272 -10.069 -5.543 477 1HB ASP 48 2HB ASP 48 -3.679 -11.412 -7.095 478 2HB ASP 48 1HB ASP 48 -3.809 -9.683 -7.417 479 QB ASP 48 QB ASP 48 -3.744 -10.547 -7.256 480 H ALA 49 H ALA 49 0.422 -10.531 -7.535 481 HA ALA 49 HA ALA 49 0.606 -13.455 -7.129 482 1HB ALA 49 1HB ALA 49 1.310 -11.791 -9.154 483 2HB ALA 49 3HB ALA 49 2.832 -11.840 -8.264 484 3HB ALA 49 2HB ALA 49 2.114 -13.335 -8.865 485 QB ALA 49 QB ALA 49 2.085 -12.322 -8.761 486 H THR 50 H THR 50 1.875 -10.429 -5.856 487 HA THR 50 HA THR 50 3.560 -11.996 -3.932 488 HB THR 50 HB THR 50 5.052 -9.994 -3.981 489 HG1 THR 50 1HG THR 50 4.453 -8.267 -5.017 490 1HG2 THR 50 3HG2 THR 50 5.089 -12.016 -5.671 491 2HG2 THR 50 2HG2 THR 50 4.617 -10.784 -6.839 492 3HG2 THR 50 1HG2 THR 50 6.129 -10.618 -5.945 493 QG2 THR 50 QG2 THR 50 5.278 -11.139 -6.152 494 H LYS 51 H LYS 51 0.718 -10.344 -4.150 495 HA LYS 51 HA LYS 51 -0.622 -9.163 -2.611 496 1HB LYS 51 2HB LYS 51 1.389 -10.453 -0.731 497 2HB LYS 51 1HB LYS 51 -0.172 -9.792 -0.247 498 1HG LYS 51 2HG LYS 51 -0.049 -11.851 -2.431 499 2HG LYS 51 1HG LYS 51 0.036 -12.361 -0.745 500 1HD LYS 51 2HD LYS 51 -2.050 -10.835 -0.421 501 2HD LYS 51 1HD LYS 51 -2.206 -10.946 -2.174 502 1HE LYS 51 2HE LYS 51 -1.791 -13.583 -1.499 503 2HE LYS 51 1HE LYS 51 -2.743 -12.995 -0.121 504 1HZ LYS 51 3HZ LYS 51 -4.265 -11.942 -1.729 505 2HZ LYS 51 2HZ LYS 51 -3.402 -12.666 -3.001 506 3HZ LYS 51 1HZ LYS 51 -4.235 -13.632 -1.879 507 QB LYS 51 QB LYS 51 0.609 -10.122 -0.489 508 QG LYS 51 QG LYS 51 -0.006 -12.106 -1.588 509 QD LYS 51 QD LYS 51 -2.128 -10.891 -1.297 510 QE LYS 51 QE LYS 51 -2.267 -13.289 -0.810 511 QZ LYS 51 QZ LYS 51 -3.967 -12.747 -2.203 512 H THR 52 H THR 52 1.505 -7.670 -3.846 513 HA THR 52 HA THR 52 2.066 -5.689 -1.657 514 HB THR 52 HB THR 52 3.946 -6.560 -3.875 515 HG1 THR 52 1HG THR 52 3.918 -8.226 -2.504 516 1HG2 THR 52 1HG2 THR 52 4.051 -4.550 -1.664 517 2HG2 THR 52 3HG2 THR 52 5.535 -5.407 -2.083 518 3HG2 THR 52 2HG2 THR 52 4.695 -4.450 -3.304 519 QG2 THR 52 QG2 THR 52 4.760 -4.802 -2.351 520 H PHE 53 H PHE 53 1.766 -3.543 -2.268 521 HA PHE 53 HA PHE 53 0.621 -3.058 -4.958 522 1HB PHE 53 2HB PHE 53 0.826 -1.454 -2.396 523 2HB PHE 53 1HB PHE 53 0.063 -0.838 -3.861 524 HD1 PHE 53 2HD PHE 53 -0.042 -3.697 -1.450 525 HD2 PHE 53 1HD PHE 53 -2.203 -1.340 -4.328 526 HE1 PHE 53 2HE PHE 53 -2.142 -4.874 -0.839 527 HE2 PHE 53 1HE PHE 53 -4.292 -2.521 -3.714 528 1HZ PHE 53 HZ PHE 53 -4.261 -4.286 -1.976 529 QB PHE 53 QB PHE 53 0.444 -1.146 -3.128 530 QG PHE 53 QD PHE 53 -1.122 -2.519 -2.889 531 QZ PHE 53 QE PHE 53 -3.217 -3.697 -2.276 532 QZ PHE 53 QR PHE 53 -2.588 -3.344 -2.461 533 H THR 54 H THR 54 1.344 -0.434 -5.519 534 HA THR 54 HA THR 54 4.246 -0.094 -5.137 535 HB THR 54 HB THR 54 3.439 -0.128 -7.996 536 HG1 THR 54 1HG THR 54 3.866 -2.555 -6.596 537 1HG2 THR 54 1HG2 THR 54 5.775 0.153 -6.744 538 2HG2 THR 54 3HG2 THR 54 5.767 -1.607 -6.864 539 3HG2 THR 54 2HG2 THR 54 5.661 -0.622 -8.324 540 QG2 THR 54 QG2 THR 54 5.734 -0.692 -7.311 541 H VAL 55 H VAL 55 3.925 1.975 -4.396 542 HA VAL 55 HA VAL 55 2.329 3.802 -6.133 543 HB VAL 55 HB VAL 55 1.378 3.400 -3.921 544 1HG1 VAL 55 3HG1 VAL 55 4.144 4.189 -2.978 545 2HG1 VAL 55 2HG1 VAL 55 2.734 4.195 -1.911 546 3HG1 VAL 55 1HG1 VAL 55 3.266 2.687 -2.662 547 1HG2 VAL 55 3HG2 VAL 55 2.697 6.116 -4.188 548 2HG2 VAL 55 2HG2 VAL 55 1.102 5.656 -4.777 549 3HG2 VAL 55 1HG2 VAL 55 1.408 5.750 -3.041 550 QG1 VAL 55 QG1 VAL 55 3.381 3.690 -2.517 551 QG2 VAL 55 QG2 VAL 55 1.736 5.840 -4.002 552 QQG VAL 55 QQG VAL 55 2.559 4.765 -3.260 553 H THR 56 H THR 56 3.196 5.773 -6.706 554 HA THR 56 HA THR 56 5.915 6.482 -5.722 555 HB THR 56 HB THR 56 5.845 4.964 -7.809 556 HG1 THR 56 1HG THR 56 7.190 7.349 -8.397 557 1HG2 THR 56 2HG2 THR 56 4.069 6.851 -8.767 558 2HG2 THR 56 1HG2 THR 56 5.575 7.275 -9.584 559 3HG2 THR 56 3HG2 THR 56 4.917 5.643 -9.737 560 QG2 THR 56 QG2 THR 56 4.853 6.590 -9.363 561 H GLU 57 H GLU 57 6.438 8.694 -7.196 562 HA GLU 57 HA GLU 57 3.965 10.384 -6.964 563 1HB GLU 57 2HB GLU 57 5.714 10.500 -5.087 564 2HB GLU 57 1HB GLU 57 6.792 11.236 -6.272 565 1HG GLU 57 2HG GLU 57 4.079 12.414 -6.150 566 2HG GLU 57 1HG GLU 57 5.060 12.652 -4.706 567 QB GLU 57 QB GLU 57 6.253 10.868 -5.679 568 QG GLU 57 QG GLU 57 4.570 12.533 -5.428 No H/Q in entry = 568 Start of MODEL 26 1 1H MET 1 1HT MET 1 -3.931 -14.964 6.701 2 2H MET 1 3HT MET 1 -2.319 -15.471 6.552 3 3H MET 1 2HT MET 1 -3.086 -15.517 8.068 4 HA MET 1 HA MET 1 -3.162 -13.141 8.199 5 1HB MET 1 2HB MET 1 -0.669 -14.647 7.551 6 2HB MET 1 1HB MET 1 -0.531 -12.893 7.685 7 1HG MET 1 2HG MET 1 -0.241 -13.421 9.904 8 2HG MET 1 1HG MET 1 -2.003 -13.345 9.883 9 1HE MET 1 2HE MET 1 1.108 -15.302 9.496 10 2HE MET 1 1HE MET 1 0.734 -16.989 9.841 11 3HE MET 1 3HE MET 1 0.314 -16.291 8.271 12 QB MET 1 QB MET 1 -0.600 -13.770 7.618 13 QG MET 1 QG MET 1 -1.122 -13.383 9.894 14 QE MET 1 QE MET 1 0.718 -16.194 9.203 15 H THR 2 H THR 2 -3.352 -11.211 7.084 16 HA THR 2 HA THR 2 -2.927 -11.292 4.123 17 HB THR 2 HB THR 2 -4.577 -9.435 5.866 18 HG1 THR 2 1HG THR 2 -6.307 -10.709 5.080 19 1HG2 THR 2 3HG2 THR 2 -4.111 -9.714 2.925 20 2HG2 THR 2 2HG2 THR 2 -5.719 -9.246 3.476 21 3HG2 THR 2 1HG2 THR 2 -4.320 -8.254 3.891 22 QG2 THR 2 QG2 THR 2 -4.717 -9.071 3.431 23 H THR 3 H THR 3 -0.686 -10.829 5.945 24 HA THR 3 HA THR 3 -0.075 -8.071 6.353 25 HB THR 3 HB THR 3 1.848 -10.313 5.664 26 HG1 THR 3 1HG THR 3 0.757 -11.183 7.280 27 1HG2 THR 3 2HG2 THR 3 2.387 -7.691 6.134 28 2HG2 THR 3 1HG2 THR 3 2.403 -8.317 7.783 29 3HG2 THR 3 3HG2 THR 3 3.484 -9.002 6.571 30 QG2 THR 3 QG2 THR 3 2.758 -8.337 6.829 31 H PHE 4 H PHE 4 -0.699 -6.890 4.467 32 HA PHE 4 HA PHE 4 0.466 -7.559 1.848 33 1HB PHE 4 2HB PHE 4 -1.512 -5.669 3.034 34 2HB PHE 4 1HB PHE 4 -0.736 -5.160 1.534 35 HD1 PHE 4 1HD PHE 4 -0.418 -7.349 -0.133 36 HD2 PHE 4 2HD PHE 4 -3.572 -6.718 2.704 37 HE1 PHE 4 1HE PHE 4 -1.873 -8.878 -1.417 38 HE2 PHE 4 2HE PHE 4 -5.032 -8.254 1.414 39 1HZ PHE 4 HZ PHE 4 -4.185 -9.334 -0.648 40 QB PHE 4 QB PHE 4 -1.124 -5.415 2.284 41 QG PHE 4 QD PHE 4 -1.995 -7.033 1.286 42 QZ PHE 4 QE PHE 4 -3.452 -8.566 -0.001 43 QZ PHE 4 QR PHE 4 -3.016 -8.106 0.384 44 H LYS 5 H LYS 5 2.060 -6.299 0.786 45 HA LYS 5 HA LYS 5 3.628 -4.488 2.579 46 1HB LYS 5 2HB LYS 5 4.403 -6.054 0.090 47 2HB LYS 5 1HB LYS 5 5.511 -5.110 1.084 48 1HG LYS 5 2HG LYS 5 5.855 -7.045 2.217 49 2HG LYS 5 1HG LYS 5 4.289 -6.721 2.961 50 1HD LYS 5 2HD LYS 5 3.163 -8.052 1.244 51 2HD LYS 5 1HD LYS 5 4.697 -8.318 0.413 52 1HE LYS 5 2HE LYS 5 4.587 -9.063 3.305 53 2HE LYS 5 1HE LYS 5 3.732 -10.115 2.159 54 1HZ LYS 5 2HZ LYS 5 5.735 -10.145 0.777 55 2HZ LYS 5 1HZ LYS 5 6.556 -9.211 1.934 56 3HZ LYS 5 3HZ LYS 5 6.043 -10.781 2.322 57 QB LYS 5 QB LYS 5 4.957 -5.582 0.587 58 QG LYS 5 QG LYS 5 5.072 -6.883 2.589 59 QD LYS 5 QD LYS 5 3.930 -8.185 0.829 60 QE LYS 5 QE LYS 5 4.160 -9.589 2.732 61 QZ LYS 5 QZ LYS 5 6.111 -10.046 1.678 62 H LEU 6 H LEU 6 5.086 -3.018 0.798 63 HA LEU 6 HA LEU 6 3.371 -1.969 -1.359 64 1HB LEU 6 2HB LEU 6 2.384 -0.987 0.648 65 2HB LEU 6 1HB LEU 6 3.966 -0.432 1.191 66 HG LEU 6 HG LEU 6 4.080 0.912 -0.994 67 1HD1 LEU 6 3HD1 LEU 6 1.203 -0.002 -1.005 68 2HD1 LEU 6 2HD1 LEU 6 1.703 1.485 -1.812 69 3HD1 LEU 6 1HD1 LEU 6 2.378 -0.064 -2.320 70 1HD2 LEU 6 1HD2 LEU 6 3.356 1.670 1.426 71 2HD2 LEU 6 3HD2 LEU 6 3.118 2.756 0.058 72 3HD2 LEU 6 2HD2 LEU 6 1.763 1.821 0.684 73 QB LEU 6 QB LEU 6 3.175 -0.710 0.920 74 QD1 LEU 6 QD1 LEU 6 1.761 0.473 -1.713 75 QD2 LEU 6 QD2 LEU 6 2.746 2.082 0.723 76 QQD LEU 6 QQD LEU 6 2.254 1.278 -0.495 77 H ILE 7 H ILE 7 4.933 -1.790 -2.923 78 HA ILE 7 HA ILE 7 7.694 -0.975 -2.260 79 HB ILE 7 HB ILE 7 6.260 -1.592 -4.874 80 1HG1 ILE 7 2HG1 ILE 7 8.283 -3.376 -3.558 81 2HG1 ILE 7 1HG1 ILE 7 6.622 -3.387 -2.964 82 1HG2 ILE 7 2HG2 ILE 7 9.086 -0.884 -4.175 83 2HG2 ILE 7 1HG2 ILE 7 8.808 -2.057 -5.463 84 3HG2 ILE 7 3HG2 ILE 7 8.137 -0.430 -5.589 85 1HD1 ILE 7 3HD1 ILE 7 7.426 -3.807 -5.857 86 2HD1 ILE 7 2HD1 ILE 7 6.999 -5.098 -4.733 87 3HD1 ILE 7 1HD1 ILE 7 5.790 -3.903 -5.206 88 QG1 ILE 7 QG1 ILE 7 7.453 -3.381 -3.261 89 QG2 ILE 7 QG2 ILE 7 8.677 -1.124 -5.076 90 QD1 ILE 7 QD1 ILE 7 6.738 -4.269 -5.266 91 H ILE 8 H ILE 8 8.129 1.203 -2.117 92 HA ILE 8 HA ILE 8 6.203 3.102 -3.308 93 HB ILE 8 HB ILE 8 8.654 3.840 -1.726 94 1HG1 ILE 8 2HG1 ILE 8 7.354 1.994 -0.516 95 2HG1 ILE 8 1HG1 ILE 8 7.522 3.498 0.366 96 1HG2 ILE 8 1HG2 ILE 8 6.009 5.038 -2.449 97 2HG2 ILE 8 3HG2 ILE 8 6.752 5.519 -0.922 98 3HG2 ILE 8 2HG2 ILE 8 7.615 5.780 -2.437 99 1HD1 ILE 8 2HD1 ILE 8 5.089 2.700 -1.248 100 2HD1 ILE 8 1HD1 ILE 8 5.222 2.564 0.503 101 3HD1 ILE 8 3HD1 ILE 8 5.253 4.156 -0.260 102 QG1 ILE 8 QG1 ILE 8 7.438 2.746 -0.075 103 QG2 ILE 8 QG2 ILE 8 6.792 5.446 -1.936 104 QD1 ILE 8 QD1 ILE 8 5.188 3.140 -0.335 105 H ASN 9 H ASN 9 6.611 3.736 -5.392 106 HA ASN 9 HA ASN 9 9.434 3.799 -6.366 107 1HB ASN 9 2HB ASN 9 7.664 2.481 -7.548 108 2HB ASN 9 1HB ASN 9 6.788 3.984 -7.841 109 1HD2 ASN 9 2HD2 ASN 9 9.080 5.138 -10.338 110 2HD2 ASN 9 1HD2 ASN 9 7.915 5.643 -9.212 111 QB ASN 9 QB ASN 9 7.226 3.233 -7.694 112 QD2 ASN 9 QD2 ASN 9 8.498 5.391 -9.775 113 H GLY 10 H GLY 10 10.319 5.729 -7.190 114 1HA GLY 10 2HA GLY 10 9.736 8.027 -8.142 115 2HA GLY 10 1HA GLY 10 8.694 8.201 -6.730 116 QA GLY 10 QA GLY 10 9.215 8.114 -7.436 117 H LYS 11 H LYS 11 9.699 9.776 -5.544 118 HA LYS 11 HA LYS 11 12.536 9.263 -4.722 119 1HB LYS 11 2HB LYS 11 12.858 11.732 -4.858 120 2HB LYS 11 1HB LYS 11 12.430 11.036 -6.420 121 1HG LYS 11 2HG LYS 11 10.054 11.670 -6.019 122 2HG LYS 11 1HG LYS 11 10.538 12.439 -4.508 123 1HD LYS 11 2HD LYS 11 11.758 13.176 -7.178 124 2HD LYS 11 1HD LYS 11 10.338 13.993 -6.522 125 1HE LYS 11 2HE LYS 11 11.929 14.151 -4.353 126 2HE LYS 11 1HE LYS 11 13.175 14.125 -5.616 127 1HZ LYS 11 1HZ LYS 11 11.932 15.849 -6.802 128 2HZ LYS 11 3HZ LYS 11 10.801 15.913 -5.539 129 3HZ LYS 11 2HZ LYS 11 12.410 16.382 -5.260 130 QB LYS 11 QB LYS 11 12.644 11.384 -5.639 131 QG LYS 11 QG LYS 11 10.296 12.055 -5.264 132 QD LYS 11 QD LYS 11 11.048 13.585 -6.850 133 QE LYS 11 QE LYS 11 12.552 14.138 -4.985 134 QZ LYS 11 QZ LYS 11 11.714 16.048 -5.867 135 H THR 12 H THR 12 9.904 8.696 -3.408 136 HA THR 12 HA THR 12 10.409 10.183 -0.862 137 HB THR 12 HB THR 12 7.826 10.243 -0.720 138 HG1 THR 12 1HG THR 12 8.106 9.994 -3.527 139 1HG2 THR 12 1HG2 THR 12 9.621 12.088 -1.499 140 2HG2 THR 12 3HG2 THR 12 8.686 11.962 -2.990 141 3HG2 THR 12 2HG2 THR 12 7.886 12.403 -1.482 142 QG2 THR 12 QG2 THR 12 8.731 12.151 -1.990 143 H LEU 13 H LEU 13 9.968 8.946 0.991 144 HA LEU 13 HA LEU 13 9.672 7.012 2.294 145 1HB LEU 13 2HB LEU 13 7.665 6.912 0.127 146 2HB LEU 13 1HB LEU 13 8.014 5.351 0.859 147 HG LEU 13 HG LEU 13 7.240 7.864 2.362 148 1HD1 LEU 13 2HD1 LEU 13 5.703 5.638 1.150 149 2HD1 LEU 13 1HD1 LEU 13 5.295 5.979 2.834 150 3HD1 LEU 13 3HD1 LEU 13 5.169 7.254 1.625 151 1HD2 LEU 13 2HD2 LEU 13 8.011 5.069 3.192 152 2HD2 LEU 13 1HD2 LEU 13 8.523 6.610 3.884 153 3HD2 LEU 13 3HD2 LEU 13 6.893 6.005 4.186 154 QB LEU 13 QB LEU 13 7.839 6.132 0.493 155 QD1 LEU 13 QD1 LEU 13 5.389 6.290 1.869 156 QD2 LEU 13 QD2 LEU 13 7.809 5.895 3.754 157 QQD LEU 13 QQD LEU 13 6.599 6.092 2.812 158 H LYS 14 H LYS 14 9.382 5.460 -0.897 159 HA LYS 14 HA LYS 14 10.636 3.724 -1.884 160 1HB LYS 14 2HB LYS 14 12.794 5.269 -0.409 161 2HB LYS 14 1HB LYS 14 13.109 4.061 -1.653 162 1HG LYS 14 2HG LYS 14 11.193 5.792 -2.783 163 2HG LYS 14 1HG LYS 14 12.338 6.848 -1.958 164 1HD LYS 14 2HD LYS 14 13.203 4.624 -3.820 165 2HD LYS 14 1HD LYS 14 12.929 6.279 -4.364 166 1HE LYS 14 2HE LYS 14 14.715 5.825 -1.989 167 2HE LYS 14 1HE LYS 14 15.357 5.548 -3.621 168 1HZ LYS 14 2HZ LYS 14 14.384 7.745 -4.235 169 2HZ LYS 14 1HZ LYS 14 14.070 8.016 -2.587 170 3HZ LYS 14 3HZ LYS 14 15.668 7.840 -3.127 171 QB LYS 14 QB LYS 14 12.952 4.665 -1.031 172 QG LYS 14 QG LYS 14 11.765 6.320 -2.371 173 QD LYS 14 QD LYS 14 13.066 5.452 -4.092 174 QE LYS 14 QE LYS 14 15.036 5.686 -2.805 175 QZ LYS 14 QZ LYS 14 14.707 7.867 -3.317 176 H GLY 15 H GLY 15 9.877 1.866 -0.830 177 1HA GLY 15 2HA GLY 15 11.619 0.299 0.707 178 2HA GLY 15 1HA GLY 15 10.601 1.149 1.870 179 QA GLY 15 QA GLY 15 11.110 0.724 1.288 180 H GLU 16 H GLU 16 10.266 -1.452 2.010 181 HA GLU 16 HA GLU 16 7.676 -1.990 0.593 182 1HB GLU 16 2HB GLU 16 10.239 -3.529 0.720 183 2HB GLU 16 1HB GLU 16 8.734 -4.449 0.736 184 1HG GLU 16 2HG GLU 16 8.007 -3.189 -1.306 185 2HG GLU 16 1HG GLU 16 9.602 -2.439 -1.358 186 QB GLU 16 QB GLU 16 9.486 -3.989 0.728 187 QG GLU 16 QG GLU 16 8.805 -2.814 -1.332 188 H ILE 17 H ILE 17 7.533 -0.965 3.087 189 HA ILE 17 HA ILE 17 7.825 -2.698 5.325 190 HB ILE 17 HB ILE 17 6.107 -1.183 6.329 191 1HG1 ILE 17 2HG1 ILE 17 5.960 0.241 3.680 192 2HG1 ILE 17 1HG1 ILE 17 4.855 -1.089 4.022 193 1HG2 ILE 17 3HG2 ILE 17 8.365 -0.087 4.671 194 2HG2 ILE 17 2HG2 ILE 17 7.341 1.003 5.605 195 3HG2 ILE 17 1HG2 ILE 17 8.260 -0.261 6.422 196 1HD1 ILE 17 1HD1 ILE 17 4.285 0.106 6.198 197 2HD1 ILE 17 3HD1 ILE 17 5.167 1.496 5.563 198 3HD1 ILE 17 2HD1 ILE 17 3.731 0.905 4.726 199 QG1 ILE 17 QG1 ILE 17 5.408 -0.424 3.851 200 QG2 ILE 17 QG2 ILE 17 7.989 0.218 5.566 201 QD1 ILE 17 QD1 ILE 17 4.394 0.836 5.496 202 H THR 18 H THR 18 5.938 -3.739 6.523 203 HA THR 18 HA THR 18 3.936 -4.906 4.613 204 HB THR 18 HB THR 18 4.294 -7.045 5.816 205 HG1 THR 18 1HG THR 18 4.943 -6.427 7.797 206 1HG2 THR 18 2HG2 THR 18 5.984 -5.877 3.967 207 2HG2 THR 18 1HG2 THR 18 7.095 -6.384 5.240 208 3HG2 THR 18 3HG2 THR 18 6.037 -7.567 4.469 209 QG2 THR 18 QG2 THR 18 6.372 -6.609 4.559 210 H ILE 19 H ILE 19 1.837 -4.991 5.407 211 HA ILE 19 HA ILE 19 1.407 -4.465 8.321 212 HB ILE 19 HB ILE 19 -0.264 -2.744 7.728 213 1HG1 ILE 19 2HG1 ILE 19 0.137 -1.993 5.156 214 2HG1 ILE 19 1HG1 ILE 19 0.352 -3.735 4.990 215 1HG2 ILE 19 1HG2 ILE 19 2.342 -2.359 7.897 216 2HG2 ILE 19 3HG2 ILE 19 2.189 -1.986 6.180 217 3HG2 ILE 19 2HG2 ILE 19 1.285 -1.050 7.370 218 1HD1 ILE 19 1HD1 ILE 19 -1.858 -3.730 6.528 219 2HD1 ILE 19 3HD1 ILE 19 -2.090 -2.184 5.711 220 3HD1 ILE 19 2HD1 ILE 19 -1.936 -3.667 4.767 221 QG1 ILE 19 QG1 ILE 19 0.244 -2.864 5.073 222 QG2 ILE 19 QG2 ILE 19 1.939 -1.799 7.149 223 QD1 ILE 19 QD1 ILE 19 -1.961 -3.194 5.669 224 H GLU 20 H GLU 20 -0.316 -5.592 9.176 225 HA GLU 20 HA GLU 20 -1.604 -7.650 7.541 226 1HB GLU 20 2HB GLU 20 -1.226 -6.915 10.357 227 2HB GLU 20 1HB GLU 20 -2.845 -7.538 10.039 228 1HG GLU 20 2HG GLU 20 -1.413 -9.343 8.641 229 2HG GLU 20 1HG GLU 20 -0.215 -8.921 9.866 230 QB GLU 20 QB GLU 20 -2.035 -7.227 10.198 231 QG GLU 20 QG GLU 20 -0.814 -9.132 9.253 232 H ALA 21 H ALA 21 -3.549 -7.408 6.500 233 HA ALA 21 HA ALA 21 -5.413 -5.254 7.433 234 1HB ALA 21 1HB ALA 21 -4.004 -4.531 5.509 235 2HB ALA 21 3HB ALA 21 -4.604 -5.907 4.582 236 3HB ALA 21 2HB ALA 21 -5.712 -4.627 5.076 237 QB ALA 21 QB ALA 21 -4.773 -5.022 5.056 238 H VAL 22 H VAL 22 -7.347 -5.659 5.515 239 HA VAL 22 HA VAL 22 -8.499 -8.232 6.307 240 HB VAL 22 HB VAL 22 -9.839 -6.314 4.487 241 1HG1 VAL 22 1HG1 VAL 22 -10.591 -8.223 6.650 242 2HG1 VAL 22 3HG1 VAL 22 -11.680 -6.882 6.292 243 3HG1 VAL 22 2HG1 VAL 22 -11.265 -8.042 5.029 244 1HG2 VAL 22 3HG2 VAL 22 -9.221 -5.734 7.384 245 2HG2 VAL 22 2HG2 VAL 22 -8.981 -4.683 5.984 246 3HG2 VAL 22 1HG2 VAL 22 -10.614 -5.020 6.568 247 QG1 VAL 22 QG1 VAL 22 -11.178 -7.716 5.990 248 QG2 VAL 22 QG2 VAL 22 -9.606 -5.146 6.645 249 QQG VAL 22 QQG VAL 22 -10.392 -6.431 6.318 250 H ASP 23 H ASP 23 -8.199 -6.353 3.352 251 HA ASP 23 HA ASP 23 -7.391 -8.765 1.807 252 1HB ASP 23 2HB ASP 23 -9.895 -7.132 1.588 253 2HB ASP 23 1HB ASP 23 -9.151 -7.681 0.086 254 QB ASP 23 QB ASP 23 -9.523 -7.406 0.837 255 H ALA 24 H ALA 24 -7.083 -7.689 -0.656 256 HA ALA 24 HA ALA 24 -4.898 -5.863 -0.389 257 1HB ALA 24 3HB ALA 24 -6.701 -6.574 -2.726 258 2HB ALA 24 2HB ALA 24 -5.204 -5.649 -2.885 259 3HB ALA 24 1HB ALA 24 -5.158 -7.322 -2.316 260 QB ALA 24 QB ALA 24 -5.688 -6.515 -2.642 261 H ALA 25 H ALA 25 -8.349 -5.364 -1.018 262 HA ALA 25 HA ALA 25 -8.364 -2.653 -1.777 263 1HB ALA 25 3HB ALA 25 -10.277 -4.263 -1.768 264 2HB ALA 25 2HB ALA 25 -10.337 -4.131 -0.010 265 3HB ALA 25 1HB ALA 25 -10.688 -2.723 -1.013 266 QB ALA 25 QB ALA 25 -10.434 -3.706 -0.930 267 H GLU 26 H GLU 26 -8.815 -3.963 1.527 268 HA GLU 26 HA GLU 26 -8.759 -1.440 2.877 269 1HB GLU 26 2HB GLU 26 -8.598 -4.325 3.484 270 2HB GLU 26 1HB GLU 26 -7.817 -3.296 4.687 271 1HG GLU 26 2HG GLU 26 -10.478 -2.383 3.728 272 2HG GLU 26 1HG GLU 26 -10.474 -3.842 4.717 273 QB GLU 26 QB GLU 26 -8.208 -3.810 4.086 274 QG GLU 26 QG GLU 26 -10.476 -3.113 4.223 275 H ALA 27 H ALA 27 -6.144 -3.897 2.606 276 HA ALA 27 HA ALA 27 -4.025 -2.467 3.774 277 1HB ALA 27 3HB ALA 27 -4.340 -4.550 1.673 278 2HB ALA 27 2HB ALA 27 -2.770 -3.740 1.732 279 3HB ALA 27 1HB ALA 27 -3.384 -4.587 3.157 280 QB ALA 27 QB ALA 27 -3.498 -4.292 2.187 281 H GLU 28 H GLU 28 -5.194 -2.265 0.397 282 HA GLU 28 HA GLU 28 -3.227 -0.438 -0.582 283 1HB GLU 28 2HB GLU 28 -5.071 -1.826 -1.782 284 2HB GLU 28 1HB GLU 28 -6.129 -0.461 -1.427 285 1HG GLU 28 2HG GLU 28 -3.985 0.851 -2.445 286 2HG GLU 28 1HG GLU 28 -3.861 -0.668 -3.335 287 QB GLU 28 QB GLU 28 -5.600 -1.143 -1.605 288 QG GLU 28 QG GLU 28 -3.923 0.092 -2.890 289 H LYS 29 H LYS 29 -6.259 0.065 1.219 290 HA LYS 29 HA LYS 29 -6.235 2.969 0.984 291 1HB LYS 29 2HB LYS 29 -7.582 0.974 2.830 292 2HB LYS 29 1HB LYS 29 -7.887 2.708 2.911 293 1HG LYS 29 2HG LYS 29 -8.200 2.269 0.236 294 2HG LYS 29 1HG LYS 29 -8.766 0.733 0.889 295 1HD LYS 29 2HD LYS 29 -10.707 2.081 0.856 296 2HD LYS 29 1HD LYS 29 -10.159 2.170 2.530 297 1HE LYS 29 2HE LYS 29 -10.355 4.436 2.182 298 2HE LYS 29 1HE LYS 29 -8.760 4.248 1.425 299 1HZ LYS 29 3HZ LYS 29 -11.353 3.921 0.011 300 2HZ LYS 29 2HZ LYS 29 -10.384 5.313 -0.068 301 3HZ LYS 29 1HZ LYS 29 -9.810 3.839 -0.686 302 QB LYS 29 QB LYS 29 -7.734 1.841 2.870 303 QG LYS 29 QG LYS 29 -8.483 1.501 0.563 304 QD LYS 29 QD LYS 29 -10.433 2.125 1.693 305 QE LYS 29 QE LYS 29 -9.558 4.342 1.803 306 QZ LYS 29 QZ LYS 29 -10.516 4.358 -0.248 307 H ILE 30 H ILE 30 -5.267 0.646 3.528 308 HA ILE 30 HA ILE 30 -4.287 2.525 5.451 309 HB ILE 30 HB ILE 30 -3.369 -0.295 4.753 310 1HG1 ILE 30 2HG1 ILE 30 -5.264 0.489 6.968 311 2HG1 ILE 30 1HG1 ILE 30 -5.860 0.169 5.340 312 1HG2 ILE 30 3HG2 ILE 30 -2.017 1.362 6.381 313 2HG2 ILE 30 2HG2 ILE 30 -3.238 0.806 7.524 314 3HG2 ILE 30 1HG2 ILE 30 -2.181 -0.359 6.727 315 1HD1 ILE 30 1HD1 ILE 30 -3.986 -1.892 6.234 316 2HD1 ILE 30 3HD1 ILE 30 -5.375 -1.744 7.313 317 3HD1 ILE 30 2HD1 ILE 30 -5.623 -2.064 5.597 318 QG1 ILE 30 QG1 ILE 30 -5.562 0.329 6.154 319 QG2 ILE 30 QG2 ILE 30 -2.479 0.603 6.877 320 QD1 ILE 30 QD1 ILE 30 -4.995 -1.900 6.381 321 H PHE 31 H PHE 31 -2.848 0.998 2.619 322 HA PHE 31 HA PHE 31 -0.183 2.135 2.997 323 1HB PHE 31 2HB PHE 31 -1.706 0.545 0.956 324 2HB PHE 31 1HB PHE 31 -0.217 1.341 0.444 325 HD1 PHE 31 2HD PHE 31 1.617 1.174 2.574 326 HD2 PHE 31 1HD PHE 31 -1.359 -1.709 1.435 327 HE1 PHE 31 2HE PHE 31 2.960 -0.623 3.627 328 HE2 PHE 31 1HE PHE 31 -0.011 -3.509 2.488 329 1HZ PHE 31 HZ PHE 31 2.148 -2.963 3.585 330 QB PHE 31 QB PHE 31 -0.961 0.943 0.700 331 QG PHE 31 QD PHE 31 0.129 -0.267 2.004 332 QZ PHE 31 QE PHE 31 1.475 -2.066 3.057 333 QZ PHE 31 QR PHE 31 1.071 -1.526 2.742 334 H LYS 32 H LYS 32 -3.112 2.932 1.183 335 HA LYS 32 HA LYS 32 -1.946 5.144 -0.270 336 1HB LYS 32 2HB LYS 32 -4.676 3.996 0.170 337 2HB LYS 32 1HB LYS 32 -4.501 5.561 -0.620 338 1HG LYS 32 2HG LYS 32 -3.091 4.623 -2.335 339 2HG LYS 32 1HG LYS 32 -3.024 3.071 -1.503 340 1HD LYS 32 2HD LYS 32 -4.696 2.611 -3.030 341 2HD LYS 32 1HD LYS 32 -5.679 3.264 -1.719 342 1HE LYS 32 2HE LYS 32 -4.973 5.562 -3.047 343 2HE LYS 32 1HE LYS 32 -5.121 4.404 -4.385 344 1HZ LYS 32 1HZ LYS 32 -7.245 3.671 -3.406 345 2HZ LYS 32 3HZ LYS 32 -7.126 4.906 -2.250 346 3HZ LYS 32 2HZ LYS 32 -7.283 5.298 -3.895 347 QB LYS 32 QB LYS 32 -4.588 4.778 -0.225 348 QG LYS 32 QG LYS 32 -3.057 3.847 -1.919 349 QD LYS 32 QD LYS 32 -5.187 2.937 -2.374 350 QE LYS 32 QE LYS 32 -5.047 4.983 -3.716 351 QZ LYS 32 QZ LYS 32 -7.218 4.625 -3.183 352 H GLN 33 H GLN 33 -2.608 4.863 2.982 353 HA GLN 33 HA GLN 33 -3.467 7.741 3.254 354 1HB GLN 33 2HB GLN 33 -4.884 6.017 4.364 355 2HB GLN 33 1HB GLN 33 -3.459 5.380 5.188 356 1HG GLN 33 2HG GLN 33 -3.255 7.261 6.568 357 2HG GLN 33 1HG GLN 33 -4.190 8.283 5.477 358 1HE2 GLN 33 2HE2 GLN 33 -6.215 6.966 8.488 359 2HE2 GLN 33 1HE2 GLN 33 -4.613 7.522 8.434 360 QB GLN 33 QB GLN 33 -4.172 5.698 4.776 361 QG GLN 33 QG GLN 33 -3.722 7.772 6.023 362 QE2 GLN 33 QE2 GLN 33 -5.414 7.244 8.461 363 H TYR 34 H TYR 34 -1.367 5.191 4.362 364 HA TYR 34 HA TYR 34 0.564 6.502 5.938 365 1HB TYR 34 2HB TYR 34 0.514 4.152 5.810 366 2HB TYR 34 1HB TYR 34 0.305 4.163 4.054 367 HD1 TYR 34 2HD TYR 34 2.849 5.402 6.565 368 HD2 TYR 34 1HD TYR 34 2.136 3.339 2.866 369 HE1 TYR 34 2HE TYR 34 5.287 5.030 6.303 370 HE2 TYR 34 1HE TYR 34 4.574 2.966 2.605 371 HH TYR 34 HH TYR 34 6.642 2.874 4.588 372 QB TYR 34 QB TYR 34 0.410 4.157 4.932 373 QG TYR 34 QD TYR 34 2.492 4.371 4.715 374 QZ TYR 34 QE TYR 34 4.931 3.998 4.454 375 QR TYR 34 QR TYR 34 3.711 4.184 4.585 376 H ALA 35 H ALA 35 0.177 6.267 2.429 377 HA ALA 35 HA ALA 35 2.701 7.489 1.643 378 1HB ALA 35 3HB ALA 35 0.061 6.753 0.425 379 2HB ALA 35 2HB ALA 35 1.116 7.849 -0.470 380 3HB ALA 35 1HB ALA 35 1.685 6.237 -0.031 381 QB ALA 35 QB ALA 35 0.954 6.946 -0.025 382 H ASN 36 H ASN 36 -0.667 8.710 1.755 383 HA ASN 36 HA ASN 36 -0.134 11.409 1.030 384 1HB ASN 36 2HB ASN 36 -2.250 9.925 2.542 385 2HB ASN 36 1HB ASN 36 -2.305 11.686 2.504 386 1HD2 ASN 36 2HD2 ASN 36 -2.731 9.682 -1.072 387 2HD2 ASN 36 1HD2 ASN 36 -1.815 8.967 0.163 388 QB ASN 36 QB ASN 36 -2.278 10.806 2.523 389 QD2 ASN 36 QD2 ASN 36 -2.273 9.324 -0.454 390 H ASP 37 H ASP 37 -0.393 9.932 4.272 391 HA ASP 37 HA ASP 37 0.038 12.230 5.850 392 1HB ASP 37 2HB ASP 37 -0.370 9.572 6.254 393 2HB ASP 37 1HB ASP 37 1.325 9.709 6.722 394 QB ASP 37 QB ASP 37 0.478 9.641 6.488 395 H ASN 38 H ASN 38 2.305 10.470 3.912 396 HA ASN 38 HA ASN 38 4.593 11.862 5.151 397 1HB ASN 38 2HB ASN 38 4.605 9.385 4.915 398 2HB ASN 38 1HB ASN 38 4.470 9.579 3.166 399 1HD2 ASN 38 2HD2 ASN 38 8.097 9.778 4.845 400 2HD2 ASN 38 1HD2 ASN 38 6.724 9.187 5.649 401 QB ASN 38 QB ASN 38 4.538 9.482 4.041 402 QD2 ASN 38 QD2 ASN 38 7.410 9.482 5.247 403 H GLY 39 H GLY 39 2.819 11.488 2.127 404 1HA GLY 39 2HA GLY 39 2.770 13.548 0.682 405 2HA GLY 39 1HA GLY 39 4.511 13.654 0.940 406 QA GLY 39 QA GLY 39 3.641 13.601 0.811 407 H ILE 40 H ILE 40 2.751 10.646 0.333 408 HA ILE 40 HA ILE 40 4.383 10.269 -2.137 409 HB ILE 40 HB ILE 40 3.204 8.596 0.029 410 1HG1 ILE 40 2HG1 ILE 40 5.402 7.413 -0.338 411 2HG1 ILE 40 1HG1 ILE 40 5.764 8.639 -1.556 412 1HG2 ILE 40 3HG2 ILE 40 2.220 7.626 -2.096 413 2HG2 ILE 40 2HG2 ILE 40 3.873 7.345 -2.639 414 3HG2 ILE 40 1HG2 ILE 40 3.267 6.539 -1.189 415 1HD1 ILE 40 1HD1 ILE 40 4.908 9.364 1.240 416 2HD1 ILE 40 3HD1 ILE 40 6.606 9.118 0.814 417 3HD1 ILE 40 2HD1 ILE 40 5.675 10.396 0.025 418 QG1 ILE 40 QG1 ILE 40 5.583 8.026 -0.947 419 QG2 ILE 40 QG2 ILE 40 3.120 7.170 -1.975 420 QD1 ILE 40 QD1 ILE 40 5.730 9.626 0.693 421 H ASP 41 H ASP 41 3.286 10.981 -3.887 422 HA ASP 41 HA ASP 41 0.485 10.023 -4.305 423 1HB ASP 41 2HB ASP 41 -0.139 12.334 -5.008 424 2HB ASP 41 1HB ASP 41 0.361 12.262 -3.318 425 QB ASP 41 QB ASP 41 0.111 12.298 -4.163 426 H GLY 42 H GLY 42 0.693 8.839 -6.154 427 1HA GLY 42 2HA GLY 42 1.464 10.125 -8.637 428 2HA GLY 42 1HA GLY 42 2.646 8.921 -8.131 429 QA GLY 42 QA GLY 42 2.055 9.523 -8.384 430 H GLU 43 H GLU 43 2.233 6.817 -8.699 431 HA GLU 43 HA GLU 43 -0.509 6.189 -9.756 432 1HB GLU 43 2HB GLU 43 2.033 5.951 -10.844 433 2HB GLU 43 1HB GLU 43 1.695 4.312 -10.287 434 1HG GLU 43 2HG GLU 43 0.833 4.401 -12.502 435 2HG GLU 43 1HG GLU 43 -0.578 4.554 -11.456 436 QB GLU 43 QB GLU 43 1.864 5.131 -10.565 437 QG GLU 43 QG GLU 43 0.127 4.478 -11.979 438 H TRP 44 H TRP 44 -0.877 3.632 -9.541 439 HA TRP 44 HA TRP 44 0.090 2.476 -6.971 440 1HB TRP 44 2HB TRP 44 -2.662 3.586 -7.510 441 2HB TRP 44 1HB TRP 44 -2.498 2.160 -6.481 442 HD1 TRP 44 HD TRP 44 -1.720 5.881 -6.585 443 HE1 TRP 44 1HE TRP 44 -0.986 6.625 -4.228 444 HE3 TRP 44 3HE TRP 44 -1.407 1.332 -4.320 445 HZ2 TRP 44 2HZ TRP 44 -0.344 5.434 -1.705 446 HZ3 TRP 44 3HZ TRP 44 -0.728 1.160 -1.932 447 HH2 TRP 44 HH TRP 44 -0.195 3.207 -0.631 448 QB TRP 44 QB TRP 44 -2.580 2.873 -6.996 449 H THR 45 H THR 45 0.288 0.304 -7.298 450 HA THR 45 HA THR 45 -1.619 -1.068 -9.140 451 HB THR 45 HB THR 45 0.110 -2.016 -10.455 452 HG1 THR 45 1HG THR 45 1.698 -2.659 -9.238 453 1HG2 THR 45 3HG2 THR 45 -0.225 0.376 -10.953 454 2HG2 THR 45 2HG2 THR 45 1.046 0.785 -9.799 455 3HG2 THR 45 1HG2 THR 45 1.440 -0.118 -11.264 456 QG2 THR 45 QG2 THR 45 0.754 0.347 -10.672 457 H TYR 46 H TYR 46 -2.246 -2.993 -8.295 458 HA TYR 46 HA TYR 46 -0.909 -3.912 -5.799 459 1HB TYR 46 2HB TYR 46 -3.291 -3.519 -5.661 460 2HB TYR 46 1HB TYR 46 -3.588 -4.488 -7.106 461 HD1 TYR 46 2HD TYR 46 -1.662 -4.933 -3.908 462 HD2 TYR 46 1HD TYR 46 -4.526 -6.574 -6.656 463 HE1 TYR 46 2HE TYR 46 -1.816 -6.980 -2.521 464 HE2 TYR 46 1HE TYR 46 -4.676 -8.626 -5.272 465 HH TYR 46 HH TYR 46 -4.248 -9.135 -2.697 466 QB TYR 46 QB TYR 46 -3.440 -4.004 -6.383 467 QG TYR 46 QD TYR 46 -3.094 -5.754 -5.282 468 QZ TYR 46 QE TYR 46 -3.246 -7.803 -3.896 469 QR TYR 46 QR TYR 46 -3.170 -6.779 -4.589 470 H ASP 47 H ASP 47 0.222 -5.819 -5.745 471 HA ASP 47 HA ASP 47 0.356 -7.434 -8.257 472 1HB ASP 47 2HB ASP 47 2.177 -7.219 -5.834 473 2HB ASP 47 1HB ASP 47 2.506 -8.205 -7.258 474 QB ASP 47 QB ASP 47 2.342 -7.712 -6.546 475 H ASP 48 H ASP 48 -1.378 -8.876 -7.990 476 HA ASP 48 HA ASP 48 -2.054 -10.146 -5.484 477 1HB ASP 48 2HB ASP 48 -3.576 -11.446 -6.915 478 2HB ASP 48 1HB ASP 48 -3.613 -9.744 -7.366 479 QB ASP 48 QB ASP 48 -3.594 -10.595 -7.140 480 H ALA 49 H ALA 49 0.605 -10.682 -7.483 481 HA ALA 49 HA ALA 49 0.724 -13.608 -7.054 482 1HB ALA 49 1HB ALA 49 1.435 -12.005 -9.115 483 2HB ALA 49 3HB ALA 49 2.965 -12.045 -8.240 484 3HB ALA 49 2HB ALA 49 2.229 -13.548 -8.797 485 QB ALA 49 QB ALA 49 2.210 -12.533 -8.717 486 H THR 50 H THR 50 2.027 -10.600 -5.785 487 HA THR 50 HA THR 50 3.686 -12.192 -3.864 488 HB THR 50 HB THR 50 5.272 -10.246 -3.993 489 HG1 THR 50 1HG THR 50 3.870 -8.679 -4.737 490 1HG2 THR 50 3HG2 THR 50 4.706 -12.235 -6.039 491 2HG2 THR 50 2HG2 THR 50 5.476 -10.804 -6.726 492 3HG2 THR 50 1HG2 THR 50 6.261 -11.683 -5.416 493 QG2 THR 50 QG2 THR 50 5.481 -11.574 -6.060 494 H LYS 51 H LYS 51 0.953 -10.355 -4.116 495 HA LYS 51 HA LYS 51 -0.291 -9.059 -2.593 496 1HB LYS 51 2HB LYS 51 1.689 -10.282 -0.634 497 2HB LYS 51 1HB LYS 51 0.098 -9.635 -0.237 498 1HG LYS 51 2HG LYS 51 0.508 -11.917 -2.187 499 2HG LYS 51 1HG LYS 51 0.203 -12.164 -0.467 500 1HD LYS 51 2HD LYS 51 -1.908 -10.898 -0.660 501 2HD LYS 51 1HD LYS 51 -1.609 -10.667 -2.383 502 1HE LYS 51 2HE LYS 51 -1.587 -13.155 -2.675 503 2HE LYS 51 1HE LYS 51 -2.036 -13.321 -0.967 504 1HZ LYS 51 3HZ LYS 51 -3.909 -11.766 -1.443 505 2HZ LYS 51 2HZ LYS 51 -3.547 -11.907 -3.097 506 3HZ LYS 51 1HZ LYS 51 -4.046 -13.270 -2.214 507 QB LYS 51 QB LYS 51 0.893 -9.958 -0.435 508 QG LYS 51 QG LYS 51 0.356 -12.040 -1.327 509 QD LYS 51 QD LYS 51 -1.759 -10.783 -1.521 510 QE LYS 51 QE LYS 51 -1.812 -13.238 -1.821 511 QZ LYS 51 QZ LYS 51 -3.834 -12.314 -2.251 512 H THR 52 H THR 52 1.786 -7.705 -3.957 513 HA THR 52 HA THR 52 2.654 -5.734 -1.856 514 HB THR 52 HB THR 52 4.224 -6.470 -4.332 515 HG1 THR 52 1HG THR 52 5.173 -8.055 -3.217 516 1HG2 THR 52 2HG2 THR 52 4.863 -5.135 -1.694 517 2HG2 THR 52 1HG2 THR 52 6.100 -5.659 -2.838 518 3HG2 THR 52 3HG2 THR 52 4.934 -4.420 -3.305 519 QG2 THR 52 QG2 THR 52 5.299 -5.071 -2.612 520 H PHE 53 H PHE 53 1.856 -3.719 -2.285 521 HA PHE 53 HA PHE 53 0.602 -3.113 -4.864 522 1HB PHE 53 2HB PHE 53 1.057 -1.617 -2.273 523 2HB PHE 53 1HB PHE 53 0.180 -0.918 -3.634 524 HD1 PHE 53 2HD PHE 53 0.183 -3.637 -1.112 525 HD2 PHE 53 1HD PHE 53 -2.062 -1.642 -4.192 526 HE1 PHE 53 2HE PHE 53 -1.871 -4.817 -0.377 527 HE2 PHE 53 1HE PHE 53 -4.112 -2.843 -3.458 528 1HZ PHE 53 HZ PHE 53 -4.011 -4.420 -1.556 529 QB PHE 53 QB PHE 53 0.618 -1.268 -2.953 530 QG PHE 53 QD PHE 53 -0.940 -2.640 -2.652 531 QZ PHE 53 QE PHE 53 -2.992 -3.830 -1.917 532 QZ PHE 53 QR PHE 53 -2.375 -3.472 -2.139 533 H THR 54 H THR 54 1.242 -0.481 -5.439 534 HA THR 54 HA THR 54 4.165 -0.107 -5.373 535 HB THR 54 HB THR 54 2.865 -0.199 -8.080 536 HG1 THR 54 1HG THR 54 3.540 -2.428 -8.169 537 1HG2 THR 54 1HG2 THR 54 5.181 0.662 -7.718 538 2HG2 THR 54 3HG2 THR 54 5.639 -0.932 -7.117 539 3HG2 THR 54 2HG2 THR 54 5.123 -0.736 -8.793 540 QG2 THR 54 QG2 THR 54 5.314 -0.335 -7.876 541 H VAL 55 H VAL 55 3.538 1.828 -4.324 542 HA VAL 55 HA VAL 55 1.755 3.674 -5.769 543 HB VAL 55 HB VAL 55 1.330 3.439 -3.433 544 1HG1 VAL 55 2HG1 VAL 55 4.292 3.937 -3.078 545 2HG1 VAL 55 1HG1 VAL 55 3.138 4.112 -1.758 546 3HG1 VAL 55 3HG1 VAL 55 3.336 2.548 -2.549 547 1HG2 VAL 55 3HG2 VAL 55 1.200 5.751 -4.351 548 2HG2 VAL 55 2HG2 VAL 55 1.574 5.729 -2.628 549 3HG2 VAL 55 1HG2 VAL 55 2.850 6.034 -3.804 550 QG1 VAL 55 QG1 VAL 55 3.589 3.532 -2.462 551 QG2 VAL 55 QG2 VAL 55 1.874 5.838 -3.595 552 QQG VAL 55 QQG VAL 55 2.732 4.685 -3.028 553 H THR 56 H THR 56 2.836 4.536 -7.471 554 HA THR 56 HA THR 56 5.601 5.498 -7.280 555 HB THR 56 HB THR 56 3.383 5.308 -9.308 556 HG1 THR 56 1HG THR 56 4.777 3.967 -10.246 557 1HG2 THR 56 1HG2 THR 56 5.911 6.937 -9.703 558 2HG2 THR 56 3HG2 THR 56 4.807 6.454 -10.994 559 3HG2 THR 56 2HG2 THR 56 4.253 7.549 -9.724 560 QG2 THR 56 QG2 THR 56 4.990 6.980 -10.140 561 H GLU 57 H GLU 57 5.947 7.910 -7.980 562 HA GLU 57 HA GLU 57 3.906 9.645 -6.624 563 1HB GLU 57 2HB GLU 57 6.129 9.182 -5.453 564 2HB GLU 57 1HB GLU 57 6.902 10.075 -6.762 565 1HG GLU 57 2HG GLU 57 4.974 11.845 -6.119 566 2HG GLU 57 1HG GLU 57 5.181 11.070 -4.548 567 QB GLU 57 QB GLU 57 6.516 9.628 -6.108 568 QG GLU 57 QG GLU 57 5.078 11.458 -5.334 No H/Q in entry = 568 Start of MODEL 27 1 1H MET 1 1HT MET 1 -1.479 -16.322 3.978 2 2H MET 1 3HT MET 1 0.187 -16.035 3.840 3 3H MET 1 2HT MET 1 -0.415 -16.929 5.154 4 HA MET 1 HA MET 1 -1.441 -15.029 6.115 5 1HB MET 1 2HB MET 1 1.258 -15.460 5.762 6 2HB MET 1 1HB MET 1 1.092 -13.785 5.239 7 1HG MET 1 2HG MET 1 1.351 -13.424 7.501 8 2HG MET 1 1HG MET 1 -0.398 -13.642 7.459 9 1HE MET 1 3HE MET 1 -0.841 -14.162 9.559 10 2HE MET 1 2HE MET 1 -1.631 -15.593 8.901 11 3HE MET 1 1HE MET 1 -0.641 -15.730 10.351 12 QB MET 1 QB MET 1 1.175 -14.623 5.501 13 QG MET 1 QG MET 1 0.477 -13.533 7.480 14 QE MET 1 QE MET 1 -1.038 -15.162 9.604 15 H THR 2 H THR 2 -2.297 -12.925 5.865 16 HA THR 2 HA THR 2 -2.548 -11.976 3.051 17 HB THR 2 HB THR 2 -4.016 -11.217 5.599 18 HG1 THR 2 1HG THR 2 -5.628 -12.595 4.692 19 1HG2 THR 2 1HG2 THR 2 -4.237 -10.433 2.730 20 2HG2 THR 2 3HG2 THR 2 -5.737 -10.659 3.627 21 3HG2 THR 2 2HG2 THR 2 -4.548 -9.484 4.183 22 QG2 THR 2 QG2 THR 2 -4.841 -10.192 3.514 23 H THR 3 H THR 3 -0.104 -11.509 4.755 24 HA THR 3 HA THR 3 -0.115 -8.729 5.608 25 HB THR 3 HB THR 3 2.262 -10.442 4.841 26 HG1 THR 3 1HG THR 3 0.674 -10.480 7.188 27 1HG2 THR 3 2HG2 THR 3 2.217 -7.892 5.694 28 2HG2 THR 3 1HG2 THR 3 2.156 -8.708 7.257 29 3HG2 THR 3 3HG2 THR 3 3.496 -9.018 6.152 30 QG2 THR 3 QG2 THR 3 2.623 -8.539 6.368 31 H PHE 4 H PHE 4 -0.447 -7.167 4.058 32 HA PHE 4 HA PHE 4 0.540 -7.515 1.299 33 1HB PHE 4 2HB PHE 4 -0.977 -5.331 2.761 34 2HB PHE 4 1HB PHE 4 -0.653 -5.321 1.027 35 HD1 PHE 4 2HD PHE 4 -1.387 -7.448 -0.302 36 HD2 PHE 4 1HD PHE 4 -2.898 -6.389 3.575 37 HE1 PHE 4 2HE PHE 4 -3.365 -8.896 -0.676 38 HE2 PHE 4 1HE PHE 4 -4.879 -7.829 3.195 39 1HZ PHE 4 HZ PHE 4 -5.109 -9.088 1.072 40 QB PHE 4 QB PHE 4 -0.815 -5.326 1.894 41 QG PHE 4 QD PHE 4 -2.143 -6.918 1.636 42 QZ PHE 4 QE PHE 4 -4.122 -8.362 1.259 43 QZ PHE 4 QR PHE 4 -3.528 -7.930 1.373 44 H LYS 5 H LYS 5 2.175 -6.257 0.361 45 HA LYS 5 HA LYS 5 3.888 -4.696 2.261 46 1HB LYS 5 2HB LYS 5 4.460 -6.090 -0.382 47 2HB LYS 5 1HB LYS 5 5.660 -5.209 0.562 48 1HG LYS 5 2HG LYS 5 6.056 -7.261 1.485 49 2HG LYS 5 1HG LYS 5 4.656 -6.858 2.478 50 1HD LYS 5 2HD LYS 5 3.172 -8.045 0.961 51 2HD LYS 5 1HD LYS 5 4.502 -8.345 -0.159 52 1HE LYS 5 2HE LYS 5 5.543 -9.375 2.157 53 2HE LYS 5 1HE LYS 5 3.819 -9.750 2.350 54 1HZ LYS 5 3HZ LYS 5 3.861 -10.529 -0.007 55 2HZ LYS 5 2HZ LYS 5 5.554 -10.392 0.027 56 3HZ LYS 5 1HZ LYS 5 4.768 -11.490 1.058 57 QB LYS 5 QB LYS 5 5.060 -5.649 0.090 58 QG LYS 5 QG LYS 5 5.356 -7.059 1.981 59 QD LYS 5 QD LYS 5 3.837 -8.195 0.401 60 QE LYS 5 QE LYS 5 4.681 -9.562 2.253 61 QZ LYS 5 QZ LYS 5 4.728 -10.804 0.360 62 H LEU 6 H LEU 6 5.275 -3.045 0.619 63 HA LEU 6 HA LEU 6 3.625 -1.820 -1.462 64 1HB LEU 6 2HB LEU 6 2.440 -1.198 0.625 65 2HB LEU 6 1HB LEU 6 3.924 -0.477 1.245 66 HG LEU 6 HG LEU 6 3.816 0.852 -1.066 67 1HD1 LEU 6 3HD1 LEU 6 1.095 -0.287 -0.637 68 2HD1 LEU 6 2HD1 LEU 6 1.189 1.400 -1.146 69 3HD1 LEU 6 1HD1 LEU 6 1.912 0.138 -2.142 70 1HD2 LEU 6 1HD2 LEU 6 3.435 1.479 1.556 71 2HD2 LEU 6 3HD2 LEU 6 3.291 2.650 0.248 72 3HD2 LEU 6 2HD2 LEU 6 1.849 1.884 0.902 73 QB LEU 6 QB LEU 6 3.182 -0.838 0.935 74 QD1 LEU 6 QD1 LEU 6 1.398 0.417 -1.308 75 QD2 LEU 6 QD2 LEU 6 2.858 2.005 0.902 76 QQD LEU 6 QQD LEU 6 2.128 1.211 -0.203 77 H ILE 7 H ILE 7 5.334 -1.410 -2.836 78 HA ILE 7 HA ILE 7 7.879 -0.322 -1.742 79 HB ILE 7 HB ILE 7 6.998 -1.349 -4.463 80 1HG1 ILE 7 2HG1 ILE 7 9.021 -2.971 -3.535 81 2HG1 ILE 7 1HG1 ILE 7 8.185 -2.556 -2.039 82 1HG2 ILE 7 2HG2 ILE 7 9.698 -0.366 -3.495 83 2HG2 ILE 7 1HG2 ILE 7 9.476 -1.319 -4.962 84 3HG2 ILE 7 3HG2 ILE 7 8.744 0.280 -4.831 85 1HD1 ILE 7 1HD1 ILE 7 6.058 -3.083 -3.640 86 2HD1 ILE 7 3HD1 ILE 7 7.254 -4.173 -4.343 87 3HD1 ILE 7 2HD1 ILE 7 6.840 -4.301 -2.633 88 QG1 ILE 7 QG1 ILE 7 8.603 -2.764 -2.787 89 QG2 ILE 7 QG2 ILE 7 9.306 -0.468 -4.429 90 QD1 ILE 7 QD1 ILE 7 6.717 -3.852 -3.539 91 H ILE 8 H ILE 8 7.890 1.903 -1.556 92 HA ILE 8 HA ILE 8 6.153 3.552 -3.259 93 HB ILE 8 HB ILE 8 8.274 4.389 -1.274 94 1HG1 ILE 8 2HG1 ILE 8 6.081 2.803 -0.648 95 2HG1 ILE 8 1HG1 ILE 8 6.915 3.856 0.479 96 1HG2 ILE 8 2HG2 ILE 8 7.498 6.153 -2.793 97 2HG2 ILE 8 1HG2 ILE 8 5.815 5.796 -2.377 98 3HG2 ILE 8 3HG2 ILE 8 6.912 6.459 -1.157 99 1HD1 ILE 8 2HD1 ILE 8 4.488 4.633 -1.170 100 2HD1 ILE 8 1HD1 ILE 8 4.463 4.199 0.539 101 3HD1 ILE 8 3HD1 ILE 8 5.302 5.656 0.012 102 QG1 ILE 8 QG1 ILE 8 6.498 3.329 -0.084 103 QG2 ILE 8 QG2 ILE 8 6.742 6.136 -2.109 104 QD1 ILE 8 QD1 ILE 8 4.751 4.829 -0.206 105 H ASN 9 H ASN 9 6.898 3.674 -5.369 106 HA ASN 9 HA ASN 9 9.777 3.933 -5.954 107 1HB ASN 9 2HB ASN 9 8.193 2.557 -7.296 108 2HB ASN 9 1HB ASN 9 7.308 4.024 -7.718 109 1HD2 ASN 9 2HD2 ASN 9 9.645 5.048 -10.171 110 2HD2 ASN 9 1HD2 ASN 9 8.234 5.439 -9.310 111 QB ASN 9 QB ASN 9 7.750 3.291 -7.507 112 QD2 ASN 9 QD2 ASN 9 8.939 5.244 -9.741 113 H GLY 10 H GLY 10 10.757 5.827 -6.743 114 1HA GLY 10 2HA GLY 10 10.252 8.082 -7.867 115 2HA GLY 10 1HA GLY 10 9.112 8.317 -6.542 116 QA GLY 10 QA GLY 10 9.682 8.200 -7.204 117 H LYS 11 H LYS 11 10.106 10.025 -5.486 118 HA LYS 11 HA LYS 11 12.847 9.489 -4.388 119 1HB LYS 11 2HB LYS 11 13.211 11.944 -4.633 120 2HB LYS 11 1HB LYS 11 12.878 11.170 -6.181 121 1HG LYS 11 2HG LYS 11 10.627 11.970 -6.209 122 2HG LYS 11 1HG LYS 11 10.704 12.455 -4.514 123 1HD LYS 11 2HD LYS 11 11.080 14.510 -5.484 124 2HD LYS 11 1HD LYS 11 12.745 13.926 -5.430 125 1HE LYS 11 2HE LYS 11 12.078 12.862 -7.788 126 2HE LYS 11 1HE LYS 11 10.916 14.204 -7.783 127 1HZ LYS 11 3HZ LYS 11 13.808 14.487 -7.167 128 2HZ LYS 11 2HZ LYS 11 13.117 14.840 -8.679 129 3HZ LYS 11 1HZ LYS 11 12.675 15.741 -7.308 130 QB LYS 11 QB LYS 11 13.044 11.557 -5.407 131 QG LYS 11 QG LYS 11 10.665 12.212 -5.361 132 QD LYS 11 QD LYS 11 11.912 14.218 -5.457 133 QE LYS 11 QE LYS 11 11.497 13.533 -7.786 134 QZ LYS 11 QZ LYS 11 13.200 15.023 -7.718 135 H THR 12 H THR 12 10.112 9.026 -3.226 136 HA THR 12 HA THR 12 10.464 10.682 -0.756 137 HB THR 12 HB THR 12 7.881 10.735 -0.778 138 HG1 THR 12 1HG THR 12 8.329 10.267 -3.534 139 1HG2 THR 12 2HG2 THR 12 9.784 12.267 -2.475 140 2HG2 THR 12 1HG2 THR 12 8.065 12.527 -2.770 141 3HG2 THR 12 3HG2 THR 12 8.741 12.826 -1.169 142 QG2 THR 12 QG2 THR 12 8.863 12.540 -2.138 143 H LEU 13 H LEU 13 10.208 9.497 1.114 144 HA LEU 13 HA LEU 13 9.888 7.652 2.537 145 1HB LEU 13 2HB LEU 13 7.699 7.625 0.556 146 2HB LEU 13 1HB LEU 13 8.001 6.058 1.303 147 HG LEU 13 HG LEU 13 7.598 8.646 2.829 148 1HD1 LEU 13 3HD1 LEU 13 5.729 6.585 1.801 149 2HD1 LEU 13 2HD1 LEU 13 5.498 7.041 3.490 150 3HD1 LEU 13 1HD1 LEU 13 5.426 8.270 2.228 151 1HD2 LEU 13 3HD2 LEU 13 8.154 5.789 3.589 152 2HD2 LEU 13 2HD2 LEU 13 8.846 7.270 4.251 153 3HD2 LEU 13 1HD2 LEU 13 7.197 6.803 4.670 154 QB LEU 13 QB LEU 13 7.850 6.841 0.930 155 QD1 LEU 13 QD1 LEU 13 5.551 7.299 2.506 156 QD2 LEU 13 QD2 LEU 13 8.066 6.621 4.170 157 QQD LEU 13 QQD LEU 13 6.808 6.960 3.338 158 H LYS 14 H LYS 14 9.232 5.961 -0.531 159 HA LYS 14 HA LYS 14 10.290 4.093 -1.508 160 1HB LYS 14 2HB LYS 14 12.603 5.681 -0.356 161 2HB LYS 14 1HB LYS 14 12.828 4.289 -1.416 162 1HG LYS 14 2HG LYS 14 11.114 5.567 -2.961 163 2HG LYS 14 1HG LYS 14 11.653 6.976 -2.045 164 1HD LYS 14 2HD LYS 14 13.107 6.848 -3.934 165 2HD LYS 14 1HD LYS 14 14.042 6.229 -2.571 166 1HE LYS 14 2HE LYS 14 14.031 4.064 -3.373 167 2HE LYS 14 1HE LYS 14 12.437 4.245 -4.131 168 1HZ LYS 14 1HZ LYS 14 13.477 5.824 -5.709 169 2HZ LYS 14 3HZ LYS 14 14.995 5.437 -5.059 170 3HZ LYS 14 2HZ LYS 14 14.083 4.242 -5.851 171 QB LYS 14 QB LYS 14 12.716 4.985 -0.886 172 QG LYS 14 QG LYS 14 11.384 6.271 -2.503 173 QD LYS 14 QD LYS 14 13.574 6.538 -3.253 174 QE LYS 14 QE LYS 14 13.234 4.155 -3.752 175 QZ LYS 14 QZ LYS 14 14.185 5.168 -5.540 176 H GLY 15 H GLY 15 9.409 2.461 -0.151 177 1HA GLY 15 2HA GLY 15 11.300 0.927 1.376 178 2HA GLY 15 1HA GLY 15 10.198 1.776 2.462 179 QA GLY 15 QA GLY 15 10.749 1.352 1.919 180 H GLU 16 H GLU 16 9.793 -0.728 2.822 181 HA GLU 16 HA GLU 16 7.714 -1.719 0.897 182 1HB GLU 16 2HB GLU 16 9.711 -2.933 2.776 183 2HB GLU 16 1HB GLU 16 8.251 -3.846 2.396 184 1HG GLU 16 2HG GLU 16 9.968 -4.465 0.799 185 2HG GLU 16 1HG GLU 16 8.750 -3.507 -0.042 186 QB GLU 16 QB GLU 16 8.981 -3.390 2.586 187 QG GLU 16 QG GLU 16 9.359 -3.986 0.378 188 H ILE 17 H ILE 17 8.381 -1.812 4.428 189 HA ILE 17 HA ILE 17 6.906 -1.737 6.272 190 HB ILE 17 HB ILE 17 5.389 -0.031 4.267 191 1HG1 ILE 17 2HG1 ILE 17 7.727 0.699 4.589 192 2HG1 ILE 17 1HG1 ILE 17 6.605 1.853 5.306 193 1HG2 ILE 17 1HG2 ILE 17 5.180 -0.392 7.254 194 2HG2 ILE 17 3HG2 ILE 17 4.682 1.116 6.486 195 3HG2 ILE 17 2HG2 ILE 17 3.891 -0.399 6.050 196 1HD1 ILE 17 1HD1 ILE 17 6.963 0.735 7.526 197 2HD1 ILE 17 3HD1 ILE 17 8.196 -0.275 6.771 198 3HD1 ILE 17 2HD1 ILE 17 8.426 1.470 6.872 199 QG1 ILE 17 QG1 ILE 17 7.166 1.276 4.947 200 QG2 ILE 17 QG2 ILE 17 4.584 0.109 6.596 201 QD1 ILE 17 QD1 ILE 17 7.862 0.643 7.056 202 H THR 18 H THR 18 6.509 -4.123 5.651 203 HA THR 18 HA THR 18 4.106 -4.882 4.232 204 HB THR 18 HB THR 18 4.618 -7.092 5.266 205 HG1 THR 18 1HG THR 18 5.583 -7.054 7.108 206 1HG2 THR 18 2HG2 THR 18 6.063 -5.784 3.396 207 2HG2 THR 18 1HG2 THR 18 7.316 -6.042 4.610 208 3HG2 THR 18 3HG2 THR 18 6.448 -7.420 3.933 209 QG2 THR 18 QG2 THR 18 6.609 -6.415 3.980 210 H ILE 19 H ILE 19 2.022 -5.143 5.015 211 HA ILE 19 HA ILE 19 1.557 -5.057 7.958 212 HB ILE 19 HB ILE 19 -0.099 -3.237 7.634 213 1HG1 ILE 19 2HG1 ILE 19 0.453 -2.062 5.231 214 2HG1 ILE 19 1HG1 ILE 19 0.588 -3.766 4.797 215 1HG2 ILE 19 3HG2 ILE 19 2.425 -2.867 8.068 216 2HG2 ILE 19 2HG2 ILE 19 2.502 -2.363 6.380 217 3HG2 ILE 19 1HG2 ILE 19 1.480 -1.483 7.516 218 1HD1 ILE 19 1HD1 ILE 19 -1.666 -4.025 6.092 219 2HD1 ILE 19 3HD1 ILE 19 -1.799 -2.279 5.879 220 3HD1 ILE 19 2HD1 ILE 19 -1.700 -3.333 4.469 221 QG1 ILE 19 QG1 ILE 19 0.521 -2.914 5.014 222 QG2 ILE 19 QG2 ILE 19 2.136 -2.238 7.322 223 QD1 ILE 19 QD1 ILE 19 -1.722 -3.213 5.480 224 H GLU 20 H GLU 20 -0.385 -6.078 8.576 225 HA GLU 20 HA GLU 20 -1.647 -7.779 6.495 226 1HB GLU 20 2HB GLU 20 -2.549 -8.954 8.488 227 2HB GLU 20 1HB GLU 20 -0.799 -8.768 8.589 228 1HG GLU 20 2HG GLU 20 -1.948 -6.432 9.754 229 2HG GLU 20 1HG GLU 20 -2.817 -7.816 10.415 230 QB GLU 20 QB GLU 20 -1.674 -8.861 8.538 231 QG GLU 20 QG GLU 20 -2.382 -7.124 10.084 232 H ALA 21 H ALA 21 -4.055 -7.961 6.497 233 HA ALA 21 HA ALA 21 -5.692 -5.925 7.783 234 1HB ALA 21 1HB ALA 21 -4.364 -5.409 5.232 235 2HB ALA 21 3HB ALA 21 -6.116 -5.265 5.089 236 3HB ALA 21 2HB ALA 21 -5.245 -4.291 6.273 237 QB ALA 21 QB ALA 21 -5.242 -4.989 5.532 238 H VAL 22 H VAL 22 -7.984 -6.016 6.800 239 HA VAL 22 HA VAL 22 -9.024 -8.618 6.771 240 HB VAL 22 HB VAL 22 -10.304 -6.545 7.136 241 1HG1 VAL 22 2HG1 VAL 22 -9.009 -5.367 5.207 242 2HG1 VAL 22 1HG1 VAL 22 -10.256 -6.050 4.166 243 3HG1 VAL 22 3HG1 VAL 22 -10.702 -4.942 5.461 244 1HG2 VAL 22 3HG2 VAL 22 -11.241 -8.777 5.952 245 2HG2 VAL 22 2HG2 VAL 22 -12.271 -7.386 6.295 246 3HG2 VAL 22 1HG2 VAL 22 -11.603 -7.612 4.677 247 QG1 VAL 22 QG1 VAL 22 -9.989 -5.453 4.945 248 QG2 VAL 22 QG2 VAL 22 -11.705 -7.925 5.641 249 QQG VAL 22 QQG VAL 22 -10.847 -6.689 5.293 250 H ASP 23 H ASP 23 -7.981 -6.610 4.043 251 HA ASP 23 HA ASP 23 -7.557 -8.976 2.359 252 1HB ASP 23 2HB ASP 23 -9.162 -8.174 0.622 253 2HB ASP 23 1HB ASP 23 -9.975 -8.595 2.127 254 QB ASP 23 QB ASP 23 -9.569 -8.385 1.374 255 H ALA 24 H ALA 24 -7.074 -7.895 -0.046 256 HA ALA 24 HA ALA 24 -4.769 -6.195 0.381 257 1HB ALA 24 2HB ALA 24 -5.396 -7.944 -1.490 258 2HB ALA 24 1HB ALA 24 -6.147 -6.552 -2.271 259 3HB ALA 24 3HB ALA 24 -4.420 -6.535 -1.910 260 QB ALA 24 QB ALA 24 -5.321 -7.010 -1.890 261 H ALA 25 H ALA 25 -8.128 -5.645 -0.533 262 HA ALA 25 HA ALA 25 -8.007 -3.022 -1.561 263 1HB ALA 25 2HB ALA 25 -9.980 -4.576 -1.462 264 2HB ALA 25 1HB ALA 25 -10.111 -4.228 0.262 265 3HB ALA 25 3HB ALA 25 -10.361 -2.942 -0.920 266 QB ALA 25 QB ALA 25 -10.151 -3.915 -0.707 267 H GLU 26 H GLU 26 -8.441 -4.079 1.827 268 HA GLU 26 HA GLU 26 -8.456 -1.462 3.004 269 1HB GLU 26 2HB GLU 26 -9.225 -3.557 4.085 270 2HB GLU 26 1HB GLU 26 -7.568 -4.158 4.099 271 1HG GLU 26 2HG GLU 26 -7.119 -3.037 6.003 272 2HG GLU 26 1HG GLU 26 -7.649 -1.518 5.284 273 QB GLU 26 QB GLU 26 -8.396 -3.857 4.092 274 QG GLU 26 QG GLU 26 -7.384 -2.278 5.644 275 H ALA 27 H ALA 27 -5.818 -3.807 2.427 276 HA ALA 27 HA ALA 27 -3.655 -2.447 3.630 277 1HB ALA 27 3HB ALA 27 -4.110 -4.448 1.516 278 2HB ALA 27 2HB ALA 27 -2.601 -3.552 1.322 279 3HB ALA 27 1HB ALA 27 -2.915 -4.443 2.813 280 QB ALA 27 QB ALA 27 -3.209 -4.148 1.883 281 H GLU 28 H GLU 28 -4.982 -2.074 0.329 282 HA GLU 28 HA GLU 28 -3.158 -0.098 -0.617 283 1HB GLU 28 2HB GLU 28 -5.171 -1.505 -1.684 284 2HB GLU 28 1HB GLU 28 -6.054 -0.011 -1.370 285 1HG GLU 28 2HG GLU 28 -3.915 1.096 -2.490 286 2HG GLU 28 1HG GLU 28 -3.754 -0.497 -3.234 287 QB GLU 28 QB GLU 28 -5.613 -0.758 -1.527 288 QG GLU 28 QG GLU 28 -3.835 0.300 -2.862 289 H LYS 29 H LYS 29 -6.120 0.170 1.334 290 HA LYS 29 HA LYS 29 -6.289 3.062 1.304 291 1HB LYS 29 2HB LYS 29 -7.213 1.013 3.355 292 2HB LYS 29 1HB LYS 29 -7.801 2.669 3.226 293 1HG LYS 29 2HG LYS 29 -8.013 0.639 0.988 294 2HG LYS 29 1HG LYS 29 -9.303 0.955 2.147 295 1HD LYS 29 2HD LYS 29 -8.042 3.052 0.358 296 2HD LYS 29 1HD LYS 29 -9.576 2.245 0.034 297 1HE LYS 29 2HE LYS 29 -10.314 3.073 2.366 298 2HE LYS 29 1HE LYS 29 -8.914 4.161 2.278 299 1HZ LYS 29 3HZ LYS 29 -10.906 3.897 0.095 300 2HZ LYS 29 2HZ LYS 29 -11.021 5.079 1.310 301 3HZ LYS 29 1HZ LYS 29 -9.692 5.072 0.251 302 QB LYS 29 QB LYS 29 -7.507 1.841 3.291 303 QG LYS 29 QG LYS 29 -8.658 0.797 1.567 304 QD LYS 29 QD LYS 29 -8.809 2.649 0.196 305 QE LYS 29 QE LYS 29 -9.614 3.617 2.322 306 QZ LYS 29 QZ LYS 29 -10.540 4.683 0.552 307 H ILE 30 H ILE 30 -5.106 0.762 3.775 308 HA ILE 30 HA ILE 30 -3.965 2.614 5.596 309 HB ILE 30 HB ILE 30 -3.149 -0.207 4.787 310 1HG1 ILE 30 2HG1 ILE 30 -4.724 0.608 7.226 311 2HG1 ILE 30 1HG1 ILE 30 -5.532 0.357 5.678 312 1HG2 ILE 30 2HG2 ILE 30 -2.100 1.666 6.832 313 2HG2 ILE 30 1HG2 ILE 30 -2.475 0.050 7.431 314 3HG2 ILE 30 3HG2 ILE 30 -1.335 0.255 6.101 315 1HD1 ILE 30 3HD1 ILE 30 -3.626 -1.775 6.437 316 2HD1 ILE 30 2HD1 ILE 30 -5.042 -1.636 7.482 317 3HD1 ILE 30 1HD1 ILE 30 -5.248 -1.901 5.751 318 QG1 ILE 30 QG1 ILE 30 -5.128 0.483 6.452 319 QG2 ILE 30 QG2 ILE 30 -1.970 0.657 6.788 320 QD1 ILE 30 QD1 ILE 30 -4.639 -1.771 6.557 321 H PHE 31 H PHE 31 -2.618 1.078 2.695 322 HA PHE 31 HA PHE 31 0.023 2.266 2.926 323 1HB PHE 31 2HB PHE 31 -1.608 0.844 0.819 324 2HB PHE 31 1HB PHE 31 -0.048 1.553 0.400 325 HD1 PHE 31 1HD PHE 31 1.627 1.098 2.715 326 HD2 PHE 31 2HD PHE 31 -1.365 -1.460 0.996 327 HE1 PHE 31 1HE PHE 31 2.775 -0.883 3.668 328 HE2 PHE 31 2HE PHE 31 -0.216 -3.442 1.951 329 1HZ PHE 31 HZ PHE 31 1.853 -3.151 3.286 330 QB PHE 31 QB PHE 31 -0.828 1.199 0.610 331 QG PHE 31 QD PHE 31 0.131 -0.181 1.855 332 QZ PHE 31 QE PHE 31 1.280 -2.162 2.809 333 QZ PHE 31 QR PHE 31 0.935 -1.567 2.523 334 H LYS 32 H LYS 32 -3.019 3.139 1.346 335 HA LYS 32 HA LYS 32 -1.924 5.413 -0.075 336 1HB LYS 32 2HB LYS 32 -4.643 4.262 0.454 337 2HB LYS 32 1HB LYS 32 -4.478 5.837 -0.317 338 1HG LYS 32 2HG LYS 32 -3.233 4.929 -2.140 339 2HG LYS 32 1HG LYS 32 -3.012 3.388 -1.309 340 1HD LYS 32 2HD LYS 32 -4.757 3.028 -2.908 341 2HD LYS 32 1HD LYS 32 -5.553 3.157 -1.339 342 1HE LYS 32 2HE LYS 32 -6.868 4.611 -2.619 343 2HE LYS 32 1HE LYS 32 -5.653 5.744 -1.988 344 1HZ LYS 32 3HZ LYS 32 -4.287 5.234 -3.964 345 2HZ LYS 32 2HZ LYS 32 -5.567 4.310 -4.591 346 3HZ LYS 32 1HZ LYS 32 -5.756 5.982 -4.362 347 QB LYS 32 QB LYS 32 -4.560 5.049 0.068 348 QG LYS 32 QG LYS 32 -3.123 4.159 -1.725 349 QD LYS 32 QD LYS 32 -5.155 3.092 -2.124 350 QE LYS 32 QE LYS 32 -6.261 5.177 -2.303 351 QZ LYS 32 QZ LYS 32 -5.203 5.175 -4.306 352 H GLN 33 H GLN 33 -2.407 4.979 3.193 353 HA GLN 33 HA GLN 33 -3.281 7.836 3.635 354 1HB GLN 33 2HB GLN 33 -3.121 5.341 5.376 355 2HB GLN 33 1HB GLN 33 -3.473 6.941 6.029 356 1HG GLN 33 2HG GLN 33 -5.504 7.113 4.794 357 2HG GLN 33 1HG GLN 33 -5.085 5.735 3.776 358 1HE2 GLN 33 2HE2 GLN 33 -7.234 3.959 6.012 359 2HE2 GLN 33 1HE2 GLN 33 -7.143 4.691 4.484 360 QB GLN 33 QB GLN 33 -3.297 6.141 5.703 361 QG GLN 33 QG GLN 33 -5.295 6.424 4.285 362 QE2 GLN 33 QE2 GLN 33 -7.188 4.325 5.248 363 H TYR 34 H TYR 34 -1.058 5.297 4.453 364 HA TYR 34 HA TYR 34 1.044 6.458 5.863 365 1HB TYR 34 2HB TYR 34 0.394 4.112 4.708 366 2HB TYR 34 1HB TYR 34 1.515 4.699 3.485 367 HD1 TYR 34 1HD TYR 34 3.877 5.097 3.979 368 HD2 TYR 34 2HD TYR 34 1.204 3.553 6.967 369 HE1 TYR 34 1HE TYR 34 5.819 4.439 5.378 370 HE2 TYR 34 2HE TYR 34 3.144 2.895 8.366 371 HH TYR 34 HH TYR 34 5.657 3.773 8.550 372 QB TYR 34 QB TYR 34 0.955 4.405 4.096 373 QG TYR 34 QD TYR 34 2.540 4.325 5.473 374 QZ TYR 34 QE TYR 34 4.482 3.667 6.872 375 QR TYR 34 QR TYR 34 3.511 3.996 6.172 376 H ALA 35 H ALA 35 0.682 6.215 2.335 377 HA ALA 35 HA ALA 35 2.975 7.812 1.606 378 1HB ALA 35 2HB ALA 35 0.489 6.727 0.301 379 2HB ALA 35 1HB ALA 35 1.512 7.861 -0.586 380 3HB ALA 35 3HB ALA 35 2.180 6.330 -0.014 381 QB ALA 35 QB ALA 35 1.394 6.973 -0.100 382 H ASN 36 H ASN 36 -0.537 8.554 1.613 383 HA ASN 36 HA ASN 36 -0.417 11.246 0.759 384 1HB ASN 36 2HB ASN 36 -2.247 9.555 2.404 385 2HB ASN 36 1HB ASN 36 -2.546 11.291 2.346 386 1HD2 ASN 36 2HD2 ASN 36 -2.614 9.389 -1.305 387 2HD2 ASN 36 1HD2 ASN 36 -1.407 8.977 -0.184 388 QB ASN 36 QB ASN 36 -2.397 10.423 2.375 389 QD2 ASN 36 QD2 ASN 36 -2.011 9.183 -0.744 390 H ASP 37 H ASP 37 -0.425 10.016 4.123 391 HA ASP 37 HA ASP 37 -0.215 12.497 5.465 392 1HB ASP 37 2HB ASP 37 -0.505 9.978 6.224 393 2HB ASP 37 1HB ASP 37 1.243 10.067 6.436 394 QB ASP 37 QB ASP 37 0.369 10.023 6.330 395 H ASN 38 H ASN 38 2.185 10.790 3.650 396 HA ASN 38 HA ASN 38 4.363 12.440 4.756 397 1HB ASN 38 2HB ASN 38 4.061 9.811 3.431 398 2HB ASN 38 1HB ASN 38 5.531 10.699 3.032 399 1HD2 ASN 38 2HD2 ASN 38 5.365 8.799 6.533 400 2HD2 ASN 38 1HD2 ASN 38 4.315 8.492 5.236 401 QB ASN 38 QB ASN 38 4.796 10.255 3.231 402 QD2 ASN 38 QD2 ASN 38 4.840 8.645 5.885 403 H GLY 39 H GLY 39 2.496 11.880 1.841 404 1HA GLY 39 2HA GLY 39 2.280 13.761 0.242 405 2HA GLY 39 1HA GLY 39 3.985 14.114 0.523 406 QA GLY 39 QA GLY 39 3.133 13.938 0.383 407 H ILE 40 H ILE 40 2.812 10.832 0.169 408 HA ILE 40 HA ILE 40 4.501 10.516 -2.255 409 HB ILE 40 HB ILE 40 3.377 8.851 -0.046 410 1HG1 ILE 40 2HG1 ILE 40 5.716 7.954 -0.108 411 2HG1 ILE 40 1HG1 ILE 40 6.048 9.085 -1.423 412 1HG2 ILE 40 3HG2 ILE 40 2.705 7.641 -2.169 413 2HG2 ILE 40 2HG2 ILE 40 4.422 7.535 -2.557 414 3HG2 ILE 40 1HG2 ILE 40 3.792 6.750 -1.107 415 1HD1 ILE 40 2HD1 ILE 40 4.931 9.937 1.253 416 2HD1 ILE 40 1HD1 ILE 40 6.660 9.938 0.880 417 3HD1 ILE 40 3HD1 ILE 40 5.559 10.975 -0.034 418 QG1 ILE 40 QG1 ILE 40 5.882 8.520 -0.766 419 QG2 ILE 40 QG2 ILE 40 3.640 7.309 -1.944 420 QD1 ILE 40 QD1 ILE 40 5.717 10.283 0.700 421 H ASP 41 H ASP 41 3.348 11.114 -4.037 422 HA ASP 41 HA ASP 41 0.726 9.756 -4.522 423 1HB ASP 41 2HB ASP 41 1.391 12.702 -4.574 424 2HB ASP 41 1HB ASP 41 0.006 12.056 -5.456 425 QB ASP 41 QB ASP 41 0.699 12.379 -5.015 426 H GLY 42 H GLY 42 1.077 8.603 -6.359 427 1HA GLY 42 2HA GLY 42 1.932 9.948 -8.806 428 2HA GLY 42 1HA GLY 42 3.083 8.737 -8.236 429 QA GLY 42 QA GLY 42 2.508 9.343 -8.521 430 H GLU 43 H GLU 43 2.609 6.569 -8.553 431 HA GLU 43 HA GLU 43 -0.013 5.961 -9.892 432 1HB GLU 43 2HB GLU 43 2.521 5.734 -10.875 433 2HB GLU 43 1HB GLU 43 2.299 4.126 -10.182 434 1HG GLU 43 2HG GLU 43 0.136 3.941 -11.428 435 2HG GLU 43 1HG GLU 43 0.493 5.486 -12.201 436 QB GLU 43 QB GLU 43 2.410 4.930 -10.528 437 QG GLU 43 QG GLU 43 0.315 4.714 -11.814 438 H TRP 44 H TRP 44 -0.637 3.560 -9.555 439 HA TRP 44 HA TRP 44 0.268 2.351 -6.980 440 1HB TRP 44 2HB TRP 44 -2.393 3.649 -7.554 441 2HB TRP 44 1HB TRP 44 -2.327 2.251 -6.476 442 HD1 TRP 44 HD TRP 44 -1.162 5.884 -6.744 443 HE1 TRP 44 1HE TRP 44 -0.428 6.668 -4.401 444 HE3 TRP 44 3HE TRP 44 -1.434 1.456 -4.239 445 HZ2 TRP 44 2HZ TRP 44 -0.010 5.555 -1.799 446 HZ3 TRP 44 3HZ TRP 44 -0.863 1.345 -1.824 447 HH2 TRP 44 HH TRP 44 -0.148 3.386 -0.609 448 QB TRP 44 QB TRP 44 -2.360 2.950 -7.015 449 H THR 45 H THR 45 0.457 0.203 -7.440 450 HA THR 45 HA THR 45 -1.615 -1.075 -9.178 451 HB THR 45 HB THR 45 0.082 -2.189 -10.459 452 HG1 THR 45 1HG THR 45 1.747 -2.661 -9.260 453 1HG2 THR 45 2HG2 THR 45 -0.381 0.165 -11.107 454 2HG2 THR 45 1HG2 THR 45 0.962 0.684 -10.088 455 3HG2 THR 45 3HG2 THR 45 1.267 -0.323 -11.504 456 QG2 THR 45 QG2 THR 45 0.616 0.175 -10.900 457 H TYR 46 H TYR 46 -2.379 -2.872 -8.216 458 HA TYR 46 HA TYR 46 -0.989 -3.923 -5.809 459 1HB TYR 46 2HB TYR 46 -3.331 -3.417 -5.569 460 2HB TYR 46 1HB TYR 46 -3.737 -4.287 -7.050 461 HD1 TYR 46 1HD TYR 46 -1.693 -5.091 -3.999 462 HD2 TYR 46 2HD TYR 46 -4.888 -6.271 -6.615 463 HE1 TYR 46 1HE TYR 46 -1.969 -7.193 -2.714 464 HE2 TYR 46 2HE TYR 46 -5.162 -8.373 -5.326 465 HH TYR 46 HH TYR 46 -4.671 -9.162 -2.980 466 QB TYR 46 QB TYR 46 -3.534 -3.852 -6.310 467 QG TYR 46 QD TYR 46 -3.291 -5.681 -5.307 468 QZ TYR 46 QE TYR 46 -3.566 -7.783 -4.020 469 QR TYR 46 QR TYR 46 -3.428 -6.732 -4.663 470 H ASP 47 H ASP 47 -0.165 -6.016 -5.731 471 HA ASP 47 HA ASP 47 -0.166 -7.572 -8.293 472 1HB ASP 47 2HB ASP 47 1.971 -6.566 -7.159 473 2HB ASP 47 1HB ASP 47 1.782 -7.890 -6.011 474 QB ASP 47 QB ASP 47 1.877 -7.228 -6.585 475 H ASP 48 H ASP 48 -1.941 -8.934 -7.970 476 HA ASP 48 HA ASP 48 -2.650 -10.103 -5.425 477 1HB ASP 48 2HB ASP 48 -4.128 -9.634 -7.417 478 2HB ASP 48 1HB ASP 48 -3.378 -11.017 -8.218 479 QB ASP 48 QB ASP 48 -3.753 -10.325 -7.818 480 H ALA 49 H ALA 49 -0.039 -10.845 -7.411 481 HA ALA 49 HA ALA 49 -0.101 -13.765 -7.027 482 1HB ALA 49 1HB ALA 49 1.704 -11.727 -8.335 483 2HB ALA 49 3HB ALA 49 2.237 -13.395 -8.124 484 3HB ALA 49 2HB ALA 49 0.806 -13.042 -9.093 485 QB ALA 49 QB ALA 49 1.582 -12.721 -8.518 486 H THR 50 H THR 50 1.350 -10.880 -5.626 487 HA THR 50 HA THR 50 2.537 -12.578 -3.470 488 HB THR 50 HB THR 50 4.535 -11.094 -3.579 489 HG1 THR 50 1HG THR 50 3.259 -10.093 -5.906 490 1HG2 THR 50 3HG2 THR 50 4.185 -13.245 -4.986 491 2HG2 THR 50 2HG2 THR 50 4.011 -12.142 -6.350 492 3HG2 THR 50 1HG2 THR 50 5.514 -12.171 -5.426 493 QG2 THR 50 QG2 THR 50 4.570 -12.519 -5.587 494 H LYS 51 H LYS 51 0.159 -10.516 -4.011 495 HA LYS 51 HA LYS 51 -0.902 -8.799 -2.837 496 1HB LYS 51 2HB LYS 51 0.523 -10.551 -0.865 497 2HB LYS 51 1HB LYS 51 -0.435 -9.182 -0.290 498 1HG LYS 51 2HG LYS 51 -1.991 -10.978 -0.384 499 2HG LYS 51 1HG LYS 51 -2.271 -10.050 -1.857 500 1HD LYS 51 2HD LYS 51 -1.467 -11.656 -3.221 501 2HD LYS 51 1HD LYS 51 -0.236 -12.176 -2.067 502 1HE LYS 51 2HE LYS 51 -1.593 -13.786 -1.185 503 2HE LYS 51 1HE LYS 51 -3.000 -12.705 -1.168 504 1HZ LYS 51 3HZ LYS 51 -1.845 -13.892 -3.634 505 2HZ LYS 51 2HZ LYS 51 -3.182 -14.540 -2.810 506 3HZ LYS 51 1HZ LYS 51 -3.279 -12.994 -3.508 507 QB LYS 51 QB LYS 51 0.044 -9.867 -0.577 508 QG LYS 51 QG LYS 51 -2.131 -10.514 -1.121 509 QD LYS 51 QD LYS 51 -0.851 -11.916 -2.644 510 QE LYS 51 QE LYS 51 -2.296 -13.245 -1.176 511 QZ LYS 51 QZ LYS 51 -2.769 -13.809 -3.317 512 H THR 52 H THR 52 1.414 -7.858 -4.070 513 HA THR 52 HA THR 52 2.537 -5.966 -2.018 514 HB THR 52 HB THR 52 3.792 -6.988 -4.584 515 HG1 THR 52 1HG THR 52 4.729 -8.517 -3.389 516 1HG2 THR 52 1HG2 THR 52 4.807 -5.401 -2.222 517 2HG2 THR 52 3HG2 THR 52 5.882 -6.198 -3.371 518 3HG2 THR 52 2HG2 THR 52 4.793 -4.924 -3.920 519 QG2 THR 52 QG2 THR 52 5.161 -5.507 -3.171 520 H PHE 53 H PHE 53 1.815 -3.897 -2.367 521 HA PHE 53 HA PHE 53 0.630 -3.124 -4.952 522 1HB PHE 53 2HB PHE 53 1.040 -1.777 -2.266 523 2HB PHE 53 1HB PHE 53 0.244 -0.978 -3.624 524 HD1 PHE 53 2HD PHE 53 0.049 -3.905 -1.320 525 HD2 PHE 53 1HD PHE 53 -2.014 -1.498 -4.228 526 HE1 PHE 53 2HE PHE 53 -2.093 -5.020 -0.732 527 HE2 PHE 53 1HE PHE 53 -4.141 -2.613 -3.637 528 1HZ PHE 53 HZ PHE 53 -4.180 -4.377 -1.897 529 QB PHE 53 QB PHE 53 0.642 -1.378 -2.945 530 QG PHE 53 QD PHE 53 -0.982 -2.701 -2.774 531 QZ PHE 53 QE PHE 53 -3.117 -3.817 -2.185 532 QZ PHE 53 QR PHE 53 -2.476 -3.482 -2.363 533 H THR 54 H THR 54 1.352 -0.806 -5.803 534 HA THR 54 HA THR 54 4.297 -0.400 -5.462 535 HB THR 54 HB THR 54 3.011 -0.300 -8.182 536 HG1 THR 54 1HG THR 54 3.640 -2.530 -8.391 537 1HG2 THR 54 2HG2 THR 54 5.730 -0.501 -7.000 538 2HG2 THR 54 1HG2 THR 54 5.462 -1.356 -8.520 539 3HG2 THR 54 3HG2 THR 54 5.183 0.383 -8.425 540 QG2 THR 54 QG2 THR 54 5.458 -0.491 -7.982 541 H VAL 55 H VAL 55 3.917 1.557 -4.408 542 HA VAL 55 HA VAL 55 2.150 3.520 -5.747 543 HB VAL 55 HB VAL 55 1.522 3.519 -3.537 544 1HG1 VAL 55 2HG1 VAL 55 4.389 3.040 -2.745 545 2HG1 VAL 55 1HG1 VAL 55 3.078 3.301 -1.601 546 3HG1 VAL 55 3HG1 VAL 55 3.052 1.895 -2.665 547 1HG2 VAL 55 3HG2 VAL 55 2.541 5.815 -4.244 548 2HG2 VAL 55 2HG2 VAL 55 2.117 5.552 -2.550 549 3HG2 VAL 55 1HG2 VAL 55 3.805 5.427 -3.066 550 QG1 VAL 55 QG1 VAL 55 3.506 2.746 -2.337 551 QG2 VAL 55 QG2 VAL 55 2.821 5.598 -3.286 552 QQG VAL 55 QQG VAL 55 3.164 4.172 -2.812 553 H THR 56 H THR 56 3.132 4.613 -7.301 554 HA THR 56 HA THR 56 5.973 5.426 -7.070 555 HB THR 56 HB THR 56 3.845 5.132 -9.163 556 HG1 THR 56 1HG THR 56 5.469 4.009 -10.149 557 1HG2 THR 56 3HG2 THR 56 6.252 6.944 -9.522 558 2HG2 THR 56 2HG2 THR 56 5.223 6.363 -10.832 559 3HG2 THR 56 1HG2 THR 56 4.556 7.428 -9.593 560 QG2 THR 56 QG2 THR 56 5.344 6.912 -9.982 561 H GLU 57 H GLU 57 6.381 7.816 -7.745 562 HA GLU 57 HA GLU 57 4.225 9.623 -6.707 563 1HB GLU 57 2HB GLU 57 5.991 9.050 -5.011 564 2HB GLU 57 1HB GLU 57 7.194 9.761 -6.088 565 1HG GLU 57 2HG GLU 57 4.796 11.409 -5.419 566 2HG GLU 57 1HG GLU 57 6.019 11.199 -4.166 567 QB GLU 57 QB GLU 57 6.592 9.406 -5.549 568 QG GLU 57 QG GLU 57 5.407 11.304 -4.793 No H/Q in entry = 568 Start of MODEL 28 1 1H MET 1 1HT MET 1 -4.610 -12.968 8.630 2 2H MET 1 3HT MET 1 -4.973 -14.524 8.060 3 3H MET 1 2HT MET 1 -4.254 -14.326 9.587 4 HA MET 1 HA MET 1 -2.209 -13.579 8.624 5 1HB MET 1 2HB MET 1 -2.862 -16.024 8.813 6 2HB MET 1 1HB MET 1 -3.294 -15.967 7.103 7 1HG MET 1 2HG MET 1 -0.899 -15.007 6.764 8 2HG MET 1 1HG MET 1 -0.578 -15.665 8.369 9 1HE MET 1 2HE MET 1 1.127 -16.289 6.648 10 2HE MET 1 1HE MET 1 1.313 -17.987 7.082 11 3HE MET 1 3HE MET 1 0.975 -17.529 5.406 12 QB MET 1 QB MET 1 -3.078 -15.996 7.958 13 QG MET 1 QG MET 1 -0.738 -15.336 7.567 14 QE MET 1 QE MET 1 1.138 -17.268 6.379 15 H THR 2 H THR 2 -2.178 -11.708 7.329 16 HA THR 2 HA THR 2 -2.551 -12.154 4.399 17 HB THR 2 HB THR 2 -3.668 -9.863 6.053 18 HG1 THR 2 1HG THR 2 -4.934 -11.966 4.634 19 1HG2 THR 2 1HG2 THR 2 -3.309 -10.326 3.141 20 2HG2 THR 2 3HG2 THR 2 -4.865 -9.662 3.643 21 3HG2 THR 2 2HG2 THR 2 -3.373 -8.811 4.041 22 QG2 THR 2 QG2 THR 2 -3.849 -9.600 3.608 23 H THR 3 H THR 3 -1.817 -9.340 6.493 24 HA THR 3 HA THR 3 -0.016 -7.815 6.433 25 HB THR 3 HB THR 3 1.429 -10.387 5.737 26 HG1 THR 3 1HG THR 3 0.784 -10.951 7.635 27 1HG2 THR 3 3HG2 THR 3 2.313 -7.662 6.305 28 2HG2 THR 3 2HG2 THR 3 2.978 -8.824 7.455 29 3HG2 THR 3 1HG2 THR 3 3.244 -9.047 5.727 30 QG2 THR 3 QG2 THR 3 2.845 -8.511 6.496 31 H PHE 4 H PHE 4 -0.733 -6.666 4.511 32 HA PHE 4 HA PHE 4 0.356 -7.512 1.889 33 1HB PHE 4 2HB PHE 4 -1.612 -5.553 2.985 34 2HB PHE 4 1HB PHE 4 -0.838 -5.130 1.457 35 HD1 PHE 4 2HD PHE 4 -0.826 -6.920 -0.405 36 HD2 PHE 4 1HD PHE 4 -3.402 -7.082 3.022 37 HE1 PHE 4 2HE PHE 4 -2.312 -8.505 -1.600 38 HE2 PHE 4 1HE PHE 4 -4.893 -8.662 1.826 39 1HZ PHE 4 HZ PHE 4 -4.347 -9.373 -0.485 40 QB PHE 4 QB PHE 4 -1.225 -5.341 2.221 41 QG PHE 4 QD PHE 4 -2.114 -7.001 1.308 42 QZ PHE 4 QE PHE 4 -3.602 -8.583 0.113 43 QZ PHE 4 QR PHE 4 -3.156 -8.108 0.472 44 H LYS 5 H LYS 5 1.932 -6.236 0.756 45 HA LYS 5 HA LYS 5 3.505 -4.401 2.528 46 1HB LYS 5 2HB LYS 5 4.261 -6.047 0.088 47 2HB LYS 5 1HB LYS 5 5.378 -5.044 1.013 48 1HG LYS 5 2HG LYS 5 5.755 -6.975 2.170 49 2HG LYS 5 1HG LYS 5 4.275 -6.522 3.016 50 1HD LYS 5 2HD LYS 5 3.619 -8.620 2.374 51 2HD LYS 5 1HD LYS 5 3.197 -7.780 0.881 52 1HE LYS 5 2HE LYS 5 5.511 -8.315 0.013 53 2HE LYS 5 1HE LYS 5 5.743 -9.337 1.447 54 1HZ LYS 5 2HZ LYS 5 3.600 -10.430 0.862 55 2HZ LYS 5 1HZ LYS 5 3.619 -9.586 -0.612 56 3HZ LYS 5 3HZ LYS 5 4.842 -10.708 -0.263 57 QB LYS 5 QB LYS 5 4.820 -5.546 0.550 58 QG LYS 5 QG LYS 5 5.015 -6.748 2.593 59 QD LYS 5 QD LYS 5 3.408 -8.200 1.627 60 QE LYS 5 QE LYS 5 5.627 -8.826 0.730 61 QZ LYS 5 QZ LYS 5 4.020 -10.241 -0.004 62 H LEU 6 H LEU 6 4.947 -2.943 0.814 63 HA LEU 6 HA LEU 6 3.351 -1.911 -1.431 64 1HB LEU 6 2HB LEU 6 2.245 -0.952 0.549 65 2HB LEU 6 1HB LEU 6 3.790 -0.332 1.129 66 HG LEU 6 HG LEU 6 3.846 0.833 -1.255 67 1HD1 LEU 6 2HD1 LEU 6 1.042 -0.086 -0.899 68 2HD1 LEU 6 1HD1 LEU 6 1.258 1.569 -1.471 69 3HD1 LEU 6 3HD1 LEU 6 1.946 0.223 -2.381 70 1HD2 LEU 6 1HD2 LEU 6 3.484 1.714 1.254 71 2HD2 LEU 6 3HD2 LEU 6 3.327 2.783 -0.138 72 3HD2 LEU 6 2HD2 LEU 6 1.887 2.093 0.609 73 QB LEU 6 QB LEU 6 3.018 -0.642 0.839 74 QD1 LEU 6 QD1 LEU 6 1.415 0.569 -1.583 75 QD2 LEU 6 QD2 LEU 6 2.899 2.197 0.575 76 QQD LEU 6 QQD LEU 6 2.157 1.383 -0.504 77 H ILE 7 H ILE 7 5.067 -1.824 -2.856 78 HA ILE 7 HA ILE 7 7.738 -0.929 -1.973 79 HB ILE 7 HB ILE 7 6.609 -1.751 -4.674 80 1HG1 ILE 7 2HG1 ILE 7 6.472 -3.563 -3.014 81 2HG1 ILE 7 1HG1 ILE 7 7.708 -3.923 -4.216 82 1HG2 ILE 7 3HG2 ILE 7 8.928 -0.380 -4.238 83 2HG2 ILE 7 2HG2 ILE 7 9.498 -2.043 -4.096 84 3HG2 ILE 7 1HG2 ILE 7 8.689 -1.512 -5.569 85 1HD1 ILE 7 1HD1 ILE 7 9.400 -2.916 -2.593 86 2HD1 ILE 7 3HD1 ILE 7 8.114 -2.925 -1.387 87 3HD1 ILE 7 2HD1 ILE 7 8.676 -4.443 -2.086 88 QG1 ILE 7 QG1 ILE 7 7.090 -3.743 -3.615 89 QG2 ILE 7 QG2 ILE 7 9.038 -1.312 -4.634 90 QD1 ILE 7 QD1 ILE 7 8.730 -3.428 -2.022 91 H ILE 8 H ILE 8 8.394 1.186 -2.207 92 HA ILE 8 HA ILE 8 6.544 3.008 -3.653 93 HB ILE 8 HB ILE 8 8.865 3.952 -2.004 94 1HG1 ILE 8 2HG1 ILE 8 7.564 2.132 -0.697 95 2HG1 ILE 8 1HG1 ILE 8 7.748 3.690 0.077 96 1HG2 ILE 8 2HG2 ILE 8 6.075 4.941 -2.644 97 2HG2 ILE 8 1HG2 ILE 8 7.123 5.722 -1.457 98 3HG2 ILE 8 3HG2 ILE 8 7.621 5.639 -3.145 99 1HD1 ILE 8 1HD1 ILE 8 5.335 3.508 -1.570 100 2HD1 ILE 8 3HD1 ILE 8 5.363 2.338 -0.254 101 3HD1 ILE 8 2HD1 ILE 8 5.519 4.063 0.093 102 QG1 ILE 8 QG1 ILE 8 7.656 2.911 -0.310 103 QG2 ILE 8 QG2 ILE 8 6.940 5.434 -2.415 104 QD1 ILE 8 QD1 ILE 8 5.406 3.303 -0.577 105 H ASN 9 H ASN 9 7.168 3.473 -5.754 106 HA ASN 9 HA ASN 9 9.889 3.003 -6.690 107 1HB ASN 9 2HB ASN 9 7.732 4.562 -8.118 108 2HB ASN 9 1HB ASN 9 9.015 3.599 -8.831 109 1HD2 ASN 9 2HD2 ASN 9 5.590 1.798 -8.593 110 2HD2 ASN 9 1HD2 ASN 9 5.902 3.435 -8.924 111 QB ASN 9 QB ASN 9 8.374 4.081 -8.474 112 QD2 ASN 9 QD2 ASN 9 5.746 2.617 -8.759 113 H GLY 10 H GLY 10 8.055 5.763 -5.622 114 1HA GLY 10 2HA GLY 10 9.725 7.834 -6.677 115 2HA GLY 10 1HA GLY 10 8.638 8.014 -5.300 116 QA GLY 10 QA GLY 10 9.181 7.924 -5.989 117 H LYS 11 H LYS 11 10.711 9.407 -4.789 118 HA LYS 11 HA LYS 11 12.690 7.697 -3.318 119 1HB LYS 11 2HB LYS 11 14.194 9.666 -3.626 120 2HB LYS 11 1HB LYS 11 13.623 9.016 -5.162 121 1HG LYS 11 2HG LYS 11 12.295 10.846 -5.603 122 2HG LYS 11 1HG LYS 11 11.978 11.162 -3.898 123 1HD LYS 11 2HD LYS 11 13.405 12.932 -4.722 124 2HD LYS 11 1HD LYS 11 14.378 11.902 -3.668 125 1HE LYS 11 2HE LYS 11 15.390 10.789 -5.563 126 2HE LYS 11 1HE LYS 11 14.279 11.597 -6.689 127 1HZ LYS 11 1HZ LYS 11 16.169 12.992 -4.868 128 2HZ LYS 11 3HZ LYS 11 16.428 12.752 -6.526 129 3HZ LYS 11 2HZ LYS 11 15.139 13.727 -6.002 130 QB LYS 11 QB LYS 11 13.908 9.341 -4.394 131 QG LYS 11 QG LYS 11 12.137 11.004 -4.750 132 QD LYS 11 QD LYS 11 13.891 12.417 -4.195 133 QE LYS 11 QE LYS 11 14.834 11.193 -6.126 134 QZ LYS 11 QZ LYS 11 15.912 13.157 -5.799 135 H THR 12 H THR 12 9.984 8.803 -2.406 136 HA THR 12 HA THR 12 10.804 10.736 -0.300 137 HB THR 12 HB THR 12 8.086 9.581 -0.995 138 HG1 THR 12 1HG THR 12 9.440 11.879 -1.952 139 1HG2 THR 12 1HG2 THR 12 9.072 11.886 0.669 140 2HG2 THR 12 3HG2 THR 12 7.457 11.920 -0.040 141 3HG2 THR 12 2HG2 THR 12 7.896 10.640 1.090 142 QG2 THR 12 QG2 THR 12 8.142 11.482 0.573 143 H LEU 13 H LEU 13 9.623 7.430 -0.714 144 HA LEU 13 HA LEU 13 10.016 6.961 2.229 145 1HB LEU 13 2HB LEU 13 7.916 6.228 0.254 146 2HB LEU 13 1HB LEU 13 8.337 4.992 1.437 147 HG LEU 13 HG LEU 13 7.613 7.842 2.154 148 1HD1 LEU 13 3HD1 LEU 13 5.952 5.474 1.541 149 2HD1 LEU 13 2HD1 LEU 13 5.586 6.237 3.093 150 3HD1 LEU 13 1HD1 LEU 13 5.505 7.181 1.609 151 1HD2 LEU 13 2HD2 LEU 13 8.399 5.375 3.645 152 2HD2 LEU 13 1HD2 LEU 13 8.756 7.064 4.006 153 3HD2 LEU 13 3HD2 LEU 13 7.163 6.401 4.369 154 QB LEU 13 QB LEU 13 8.126 5.610 0.845 155 QD1 LEU 13 QD1 LEU 13 5.681 6.297 2.081 156 QD2 LEU 13 QD2 LEU 13 8.106 6.280 4.007 157 QQD LEU 13 QQD LEU 13 6.894 6.289 3.044 158 H LYS 14 H LYS 14 9.914 5.252 -0.920 159 HA LYS 14 HA LYS 14 11.196 3.451 -1.751 160 1HB LYS 14 2HB LYS 14 13.065 5.119 -0.076 161 2HB LYS 14 1HB LYS 14 13.656 3.665 -0.881 162 1HG LYS 14 2HG LYS 14 12.053 5.655 -2.455 163 2HG LYS 14 1HG LYS 14 13.755 5.986 -2.128 164 1HD LYS 14 2HD LYS 14 12.888 3.315 -3.221 165 2HD LYS 14 1HD LYS 14 13.166 4.685 -4.297 166 1HE LYS 14 2HE LYS 14 15.448 4.699 -3.915 167 2HE LYS 14 1HE LYS 14 15.277 4.079 -2.260 168 1HZ LYS 14 3HZ LYS 14 14.475 1.967 -3.246 169 2HZ LYS 14 2HZ LYS 14 14.871 2.567 -4.785 170 3HZ LYS 14 1HZ LYS 14 16.091 2.313 -3.631 171 QB LYS 14 QB LYS 14 13.360 4.392 -0.478 172 QG LYS 14 QG LYS 14 12.904 5.820 -2.291 173 QD LYS 14 QD LYS 14 13.027 4.000 -3.759 174 QE LYS 14 QE LYS 14 15.362 4.389 -3.088 175 QZ LYS 14 QZ LYS 14 15.146 2.282 -3.887 176 H GLY 15 H GLY 15 9.850 1.883 -0.504 177 1HA GLY 15 2HA GLY 15 11.425 0.062 1.031 178 2HA GLY 15 1HA GLY 15 10.454 1.028 2.141 179 QA GLY 15 QA GLY 15 10.939 0.545 1.586 180 H GLU 16 H GLU 16 9.709 -1.380 2.433 181 HA GLU 16 HA GLU 16 7.515 -2.043 0.501 182 1HB GLU 16 2HB GLU 16 8.928 -3.687 2.631 183 2HB GLU 16 1HB GLU 16 7.744 -4.302 1.481 184 1HG GLU 16 2HG GLU 16 9.461 -4.727 0.078 185 2HG GLU 16 1HG GLU 16 9.643 -2.984 -0.113 186 QB GLU 16 QB GLU 16 8.336 -3.994 2.056 187 QG GLU 16 QG GLU 16 9.552 -3.856 -0.017 188 H ILE 17 H ILE 17 8.242 -2.017 4.009 189 HA ILE 17 HA ILE 17 6.838 -1.716 5.881 190 HB ILE 17 HB ILE 17 5.324 -0.127 3.782 191 1HG1 ILE 17 2HG1 ILE 17 7.687 0.543 3.959 192 2HG1 ILE 17 1HG1 ILE 17 6.645 1.787 4.640 193 1HG2 ILE 17 1HG2 ILE 17 5.279 -0.053 6.811 194 2HG2 ILE 17 3HG2 ILE 17 4.598 1.215 5.792 195 3HG2 ILE 17 2HG2 ILE 17 3.932 -0.417 5.732 196 1HD1 ILE 17 2HD1 ILE 17 7.109 0.256 6.852 197 2HD1 ILE 17 1HD1 ILE 17 8.626 0.044 5.980 198 3HD1 ILE 17 3HD1 ILE 17 8.077 1.662 6.413 199 QG1 ILE 17 QG1 ILE 17 7.166 1.165 4.299 200 QG2 ILE 17 QG2 ILE 17 4.603 0.249 6.112 201 QD1 ILE 17 QD1 ILE 17 7.937 0.654 6.415 202 H THR 18 H THR 18 6.219 -4.022 5.830 203 HA THR 18 HA THR 18 3.800 -4.883 4.436 204 HB THR 18 HB THR 18 4.218 -6.966 5.665 205 HG1 THR 18 1HG THR 18 6.253 -5.575 7.050 206 1HG2 THR 18 1HG2 THR 18 6.036 -5.733 3.926 207 2HG2 THR 18 3HG2 THR 18 7.030 -6.366 5.238 208 3HG2 THR 18 2HG2 THR 18 5.971 -7.447 4.334 209 QG2 THR 18 QG2 THR 18 6.346 -6.515 4.500 210 H ILE 19 H ILE 19 1.717 -5.073 5.323 211 HA ILE 19 HA ILE 19 1.342 -4.361 8.200 212 HB ILE 19 HB ILE 19 -0.380 -2.700 7.538 213 1HG1 ILE 19 2HG1 ILE 19 0.056 -2.057 4.933 214 2HG1 ILE 19 1HG1 ILE 19 0.267 -3.804 4.858 215 1HG2 ILE 19 2HG2 ILE 19 2.144 -2.193 7.801 216 2HG2 ILE 19 1HG2 ILE 19 2.163 -2.070 6.042 217 3HG2 ILE 19 3HG2 ILE 19 1.148 -0.984 6.991 218 1HD1 ILE 19 2HD1 ILE 19 -1.948 -3.819 6.303 219 2HD1 ILE 19 1HD1 ILE 19 -2.168 -2.221 5.589 220 3HD1 ILE 19 3HD1 ILE 19 -2.030 -3.640 4.549 221 QG1 ILE 19 QG1 ILE 19 0.161 -2.931 4.896 222 QG2 ILE 19 QG2 ILE 19 1.818 -1.749 6.945 223 QD1 ILE 19 QD1 ILE 19 -2.049 -3.227 5.480 224 H GLU 20 H GLU 20 -0.176 -5.643 9.137 225 HA GLU 20 HA GLU 20 -1.517 -7.752 7.700 226 1HB GLU 20 2HB GLU 20 -2.582 -8.127 9.916 227 2HB GLU 20 1HB GLU 20 -0.844 -7.873 10.065 228 1HG GLU 20 2HG GLU 20 -1.784 -5.300 10.250 229 2HG GLU 20 1HG GLU 20 -3.083 -6.202 11.027 230 QB GLU 20 QB GLU 20 -1.713 -8.000 9.991 231 QG GLU 20 QG GLU 20 -2.434 -5.751 10.638 232 H ALA 21 H ALA 21 -3.480 -7.715 6.671 233 HA ALA 21 HA ALA 21 -5.496 -5.656 7.400 234 1HB ALA 21 1HB ALA 21 -3.690 -5.126 5.454 235 2HB ALA 21 3HB ALA 21 -4.907 -5.974 4.500 236 3HB ALA 21 2HB ALA 21 -5.347 -4.524 5.403 237 QB ALA 21 QB ALA 21 -4.648 -5.208 5.119 238 H VAL 22 H VAL 22 -7.622 -6.270 6.768 239 HA VAL 22 HA VAL 22 -8.316 -8.987 6.717 240 HB VAL 22 HB VAL 22 -9.824 -7.116 7.244 241 1HG1 VAL 22 1HG1 VAL 22 -8.830 -5.723 5.274 242 2HG1 VAL 22 3HG1 VAL 22 -10.058 -6.529 4.299 243 3HG1 VAL 22 2HG1 VAL 22 -10.538 -5.526 5.667 244 1HG2 VAL 22 2HG2 VAL 22 -10.562 -9.412 6.088 245 2HG2 VAL 22 1HG2 VAL 22 -11.736 -8.150 6.462 246 3HG2 VAL 22 3HG2 VAL 22 -11.106 -8.310 4.823 247 QG1 VAL 22 QG1 VAL 22 -9.809 -5.926 5.080 248 QG2 VAL 22 QG2 VAL 22 -11.135 -8.624 5.791 249 QQG VAL 22 QQG VAL 22 -10.472 -7.275 5.436 250 H ASP 23 H ASP 23 -7.750 -6.785 3.986 251 HA ASP 23 HA ASP 23 -7.169 -9.058 2.213 252 1HB ASP 23 2HB ASP 23 -8.943 -8.355 0.584 253 2HB ASP 23 1HB ASP 23 -9.609 -8.949 2.103 254 QB ASP 23 QB ASP 23 -9.276 -8.652 1.343 255 H ALA 24 H ALA 24 -6.739 -8.028 -0.121 256 HA ALA 24 HA ALA 24 -4.664 -6.076 0.187 257 1HB ALA 24 2HB ALA 24 -5.768 -7.760 -1.829 258 2HB ALA 24 1HB ALA 24 -5.718 -6.127 -2.494 259 3HB ALA 24 3HB ALA 24 -4.245 -6.874 -1.877 260 QB ALA 24 QB ALA 24 -5.244 -6.921 -2.066 261 H ALA 25 H ALA 25 -8.098 -5.805 -0.614 262 HA ALA 25 HA ALA 25 -8.213 -3.150 -1.567 263 1HB ALA 25 1HB ALA 25 -9.980 -5.114 -1.163 264 2HB ALA 25 3HB ALA 25 -10.304 -4.189 0.304 265 3HB ALA 25 2HB ALA 25 -10.500 -3.432 -1.277 266 QB ALA 25 QB ALA 25 -10.261 -4.245 -0.712 267 H GLU 26 H GLU 26 -8.324 -4.387 1.773 268 HA GLU 26 HA GLU 26 -8.554 -1.784 3.033 269 1HB GLU 26 2HB GLU 26 -8.944 -4.332 3.808 270 2HB GLU 26 1HB GLU 26 -7.298 -4.126 4.405 271 1HG GLU 26 2HG GLU 26 -8.328 -1.826 5.312 272 2HG GLU 26 1HG GLU 26 -9.813 -2.779 5.279 273 QB GLU 26 QB GLU 26 -8.121 -4.229 4.106 274 QG GLU 26 QG GLU 26 -9.071 -2.302 5.295 275 H ALA 27 H ALA 27 -5.827 -4.013 2.401 276 HA ALA 27 HA ALA 27 -3.742 -2.528 3.633 277 1HB ALA 27 2HB ALA 27 -3.736 -4.198 1.092 278 2HB ALA 27 1HB ALA 27 -2.300 -3.751 2.015 279 3HB ALA 27 3HB ALA 27 -3.514 -4.812 2.733 280 QB ALA 27 QB ALA 27 -3.184 -4.254 1.947 281 H GLU 28 H GLU 28 -5.040 -2.325 0.304 282 HA GLU 28 HA GLU 28 -3.305 -0.304 -0.698 283 1HB GLU 28 2HB GLU 28 -5.134 -1.786 -1.826 284 2HB GLU 28 1HB GLU 28 -6.242 -0.494 -1.365 285 1HG GLU 28 2HG GLU 28 -4.426 1.065 -2.464 286 2HG GLU 28 1HG GLU 28 -3.944 -0.407 -3.306 287 QB GLU 28 QB GLU 28 -5.688 -1.140 -1.596 288 QG GLU 28 QG GLU 28 -4.185 0.329 -2.885 289 H LYS 29 H LYS 29 -6.299 -0.081 1.225 290 HA LYS 29 HA LYS 29 -6.500 2.813 1.126 291 1HB LYS 29 2HB LYS 29 -7.541 0.672 3.009 292 2HB LYS 29 1HB LYS 29 -8.016 2.366 3.112 293 1HG LYS 29 2HG LYS 29 -8.382 1.791 0.422 294 2HG LYS 29 1HG LYS 29 -8.879 0.296 1.215 295 1HD LYS 29 2HD LYS 29 -10.874 1.398 1.406 296 2HD LYS 29 1HD LYS 29 -10.099 2.094 2.830 297 1HE LYS 29 2HE LYS 29 -10.590 4.098 1.834 298 2HE LYS 29 1HE LYS 29 -9.180 3.747 0.815 299 1HZ LYS 29 1HZ LYS 29 -10.704 2.435 -0.628 300 2HZ LYS 29 3HZ LYS 29 -12.012 3.040 0.267 301 3HZ LYS 29 2HZ LYS 29 -11.030 4.102 -0.624 302 QB LYS 29 QB LYS 29 -7.779 1.519 3.060 303 QG LYS 29 QG LYS 29 -8.630 1.044 0.818 304 QD LYS 29 QD LYS 29 -10.487 1.746 2.118 305 QE LYS 29 QE LYS 29 -9.885 3.922 1.324 306 QZ LYS 29 QZ LYS 29 -11.249 3.192 -0.328 307 H ILE 30 H ILE 30 -5.317 0.539 3.627 308 HA ILE 30 HA ILE 30 -4.326 2.464 5.484 309 HB ILE 30 HB ILE 30 -3.361 -0.341 4.791 310 1HG1 ILE 30 2HG1 ILE 30 -5.120 0.317 7.123 311 2HG1 ILE 30 1HG1 ILE 30 -5.856 0.250 5.522 312 1HG2 ILE 30 3HG2 ILE 30 -2.002 1.377 6.365 313 2HG2 ILE 30 2HG2 ILE 30 -3.166 0.783 7.546 314 3HG2 ILE 30 1HG2 ILE 30 -2.098 -0.347 6.716 315 1HD1 ILE 30 3HD1 ILE 30 -4.017 -1.978 6.239 316 2HD1 ILE 30 2HD1 ILE 30 -5.571 -1.934 7.071 317 3HD1 ILE 30 1HD1 ILE 30 -5.515 -2.011 5.310 318 QG1 ILE 30 QG1 ILE 30 -5.488 0.283 6.323 319 QG2 ILE 30 QG2 ILE 30 -2.422 0.604 6.876 320 QD1 ILE 30 QD1 ILE 30 -5.035 -1.974 6.207 321 H PHE 31 H PHE 31 -2.909 1.016 2.587 322 HA PHE 31 HA PHE 31 -0.276 2.238 2.939 323 1HB PHE 31 2HB PHE 31 -1.773 0.658 0.867 324 2HB PHE 31 1HB PHE 31 -0.304 1.505 0.379 325 HD1 PHE 31 1HD PHE 31 1.539 1.307 2.513 326 HD2 PHE 31 2HD PHE 31 -1.367 -1.593 1.257 327 HE1 PHE 31 1HE PHE 31 2.917 -0.502 3.509 328 HE2 PHE 31 2HE PHE 31 0.009 -3.403 2.253 329 1HZ PHE 31 HZ PHE 31 2.150 -2.857 3.378 330 QB PHE 31 QB PHE 31 -1.038 1.081 0.623 331 QG PHE 31 QD PHE 31 0.086 -0.143 1.885 332 QZ PHE 31 QE PHE 31 1.463 -1.952 2.881 333 QZ PHE 31 QR PHE 31 1.050 -1.410 2.582 334 H LYS 32 H LYS 32 -3.270 2.954 1.200 335 HA LYS 32 HA LYS 32 -2.248 5.213 -0.267 336 1HB LYS 32 2HB LYS 32 -4.924 4.014 0.335 337 2HB LYS 32 1HB LYS 32 -4.830 5.593 -0.441 338 1HG LYS 32 2HG LYS 32 -3.591 4.724 -2.290 339 2HG LYS 32 1HG LYS 32 -3.305 3.191 -1.466 340 1HD LYS 32 2HD LYS 32 -5.074 2.846 -3.082 341 2HD LYS 32 1HD LYS 32 -5.795 2.808 -1.474 342 1HE LYS 32 2HE LYS 32 -5.825 5.535 -2.290 343 2HE LYS 32 1HE LYS 32 -6.415 4.581 -3.665 344 1HZ LYS 32 3HZ LYS 32 -7.316 4.133 -0.873 345 2HZ LYS 32 2HZ LYS 32 -8.142 5.146 -1.959 346 3HZ LYS 32 1HZ LYS 32 -7.985 3.488 -2.292 347 QB LYS 32 QB LYS 32 -4.877 4.804 -0.053 348 QG LYS 32 QG LYS 32 -3.448 3.958 -1.878 349 QD LYS 32 QD LYS 32 -5.435 2.827 -2.278 350 QE LYS 32 QE LYS 32 -6.120 5.058 -2.977 351 QZ LYS 32 QZ LYS 32 -7.814 4.256 -1.708 352 H GLN 33 H GLN 33 -2.806 4.861 3.031 353 HA GLN 33 HA GLN 33 -3.606 7.746 3.387 354 1HB GLN 33 2HB GLN 33 -3.568 5.271 5.154 355 2HB GLN 33 1HB GLN 33 -3.823 6.889 5.810 356 1HG GLN 33 2HG GLN 33 -5.507 5.741 3.574 357 2HG GLN 33 1HG GLN 33 -5.947 5.599 5.276 358 1HE2 GLN 33 2HE2 GLN 33 -6.744 9.075 5.627 359 2HE2 GLN 33 1HE2 GLN 33 -6.266 7.689 6.485 360 QB GLN 33 QB GLN 33 -3.696 6.080 5.482 361 QG GLN 33 QG GLN 33 -5.727 5.670 4.425 362 QE2 GLN 33 QE2 GLN 33 -6.505 8.382 6.056 363 H TYR 34 H TYR 34 -1.437 5.188 4.315 364 HA TYR 34 HA TYR 34 0.633 6.487 5.717 365 1HB TYR 34 2HB TYR 34 0.546 4.133 5.594 366 2HB TYR 34 1HB TYR 34 0.193 4.150 3.861 367 HD1 TYR 34 2HD TYR 34 2.037 4.443 2.231 368 HD2 TYR 34 1HD TYR 34 2.821 4.245 6.449 369 HE1 TYR 34 2HE TYR 34 4.443 4.065 1.768 370 HE2 TYR 34 1HE TYR 34 5.228 3.868 5.985 371 HH TYR 34 HH TYR 34 6.838 4.223 4.239 372 QB TYR 34 QB TYR 34 0.370 4.141 4.728 373 QG TYR 34 QD TYR 34 2.429 4.344 4.340 374 QZ TYR 34 QE TYR 34 4.836 3.967 3.876 375 QR TYR 34 QR TYR 34 3.632 4.155 4.108 376 H ALA 35 H ALA 35 -0.121 6.325 2.272 377 HA ALA 35 HA ALA 35 2.307 7.394 1.147 378 1HB ALA 35 3HB ALA 35 -0.494 6.829 0.386 379 2HB ALA 35 2HB ALA 35 0.220 8.186 -0.494 380 3HB ALA 35 1HB ALA 35 0.989 6.595 -0.543 381 QB ALA 35 QB ALA 35 0.238 7.203 -0.217 382 H ASN 36 H ASN 36 -0.870 8.963 1.632 383 HA ASN 36 HA ASN 36 -0.091 11.654 1.200 384 1HB ASN 36 2HB ASN 36 -2.230 10.350 2.901 385 2HB ASN 36 1HB ASN 36 -2.176 12.087 2.595 386 1HD2 ASN 36 2HD2 ASN 36 -3.434 9.561 -0.345 387 2HD2 ASN 36 1HD2 ASN 36 -2.843 8.952 1.125 388 QB ASN 36 QB ASN 36 -2.203 11.218 2.748 389 QD2 ASN 36 QD2 ASN 36 -3.139 9.257 0.390 390 H ASP 37 H ASP 37 -0.160 9.749 4.209 391 HA ASP 37 HA ASP 37 0.375 11.689 6.144 392 1HB ASP 37 2HB ASP 37 -0.018 9.260 6.506 393 2HB ASP 37 1HB ASP 37 1.602 8.929 5.894 394 QB ASP 37 QB ASP 37 0.792 9.095 6.200 395 H ASN 38 H ASN 38 2.536 10.433 3.729 396 HA ASN 38 HA ASN 38 4.800 11.968 4.862 397 1HB ASN 38 2HB ASN 38 4.436 9.433 3.472 398 2HB ASN 38 1HB ASN 38 5.663 10.424 2.686 399 1HD2 ASN 38 2HD2 ASN 38 8.036 9.978 5.258 400 2HD2 ASN 38 1HD2 ASN 38 7.683 10.669 3.749 401 QB ASN 38 QB ASN 38 5.050 9.929 3.079 402 QD2 ASN 38 QD2 ASN 38 7.859 10.324 4.503 403 H GLY 39 H GLY 39 3.187 11.274 1.766 404 1HA GLY 39 2HA GLY 39 2.567 13.504 0.556 405 2HA GLY 39 1HA GLY 39 4.312 13.781 0.615 406 QA GLY 39 QA GLY 39 3.439 13.642 0.585 407 H ILE 40 H ILE 40 2.044 11.163 -0.253 408 HA ILE 40 HA ILE 40 3.882 10.414 -2.504 409 HB ILE 40 HB ILE 40 1.979 8.966 -0.690 410 1HG1 ILE 40 2HG1 ILE 40 4.589 9.822 -0.260 411 2HG1 ILE 40 1HG1 ILE 40 3.744 8.604 0.673 412 1HG2 ILE 40 2HG2 ILE 40 1.970 7.960 -2.957 413 2HG2 ILE 40 1HG2 ILE 40 3.716 7.736 -2.833 414 3HG2 ILE 40 3HG2 ILE 40 2.636 6.879 -1.731 415 1HD1 ILE 40 3HD1 ILE 40 5.248 7.898 -1.835 416 2HD1 ILE 40 2HD1 ILE 40 6.053 7.990 -0.265 417 3HD1 ILE 40 1HD1 ILE 40 4.741 6.836 -0.517 418 QG1 ILE 40 QG1 ILE 40 4.166 9.213 0.206 419 QG2 ILE 40 QG2 ILE 40 2.774 7.525 -2.507 420 QD1 ILE 40 QD1 ILE 40 5.347 7.575 -0.872 421 H ASP 41 H ASP 41 2.987 10.620 -4.533 422 HA ASP 41 HA ASP 41 0.210 10.039 -5.142 423 1HB ASP 41 2HB ASP 41 0.577 12.466 -3.960 424 2HB ASP 41 1HB ASP 41 0.792 12.906 -5.654 425 QB ASP 41 QB ASP 41 0.685 12.686 -4.807 426 H GLY 42 H GLY 42 1.176 8.814 -6.853 427 1HA GLY 42 2HA GLY 42 1.794 10.343 -9.262 428 2HA GLY 42 1HA GLY 42 3.182 9.462 -8.625 429 QA GLY 42 QA GLY 42 2.488 9.903 -8.943 430 H GLU 43 H GLU 43 1.953 7.125 -7.704 431 HA GLU 43 HA GLU 43 0.397 6.000 -9.976 432 1HB GLU 43 2HB GLU 43 2.884 5.949 -10.481 433 2HB GLU 43 1HB GLU 43 3.073 4.867 -9.098 434 1HG GLU 43 2HG GLU 43 1.937 3.124 -10.135 435 2HG GLU 43 1HG GLU 43 1.018 4.205 -11.182 436 QB GLU 43 QB GLU 43 2.979 5.408 -9.790 437 QG GLU 43 QG GLU 43 1.478 3.664 -10.658 438 H TRP 44 H TRP 44 -0.197 3.683 -9.505 439 HA TRP 44 HA TRP 44 0.076 2.625 -6.773 440 1HB TRP 44 2HB TRP 44 -2.383 4.068 -7.758 441 2HB TRP 44 1HB TRP 44 -2.584 2.649 -6.722 442 HD1 TRP 44 HD TRP 44 -1.686 6.286 -6.589 443 HE1 TRP 44 1HE TRP 44 -1.104 6.917 -4.156 444 HE3 TRP 44 3HE TRP 44 -1.503 1.637 -4.543 445 HZ2 TRP 44 2HZ TRP 44 -0.621 5.600 -1.656 446 HZ3 TRP 44 3HZ TRP 44 -0.981 1.344 -2.125 447 HH2 TRP 44 HH TRP 44 -0.538 3.320 -0.693 448 QB TRP 44 QB TRP 44 -2.484 3.359 -7.240 449 H THR 45 H THR 45 0.353 0.487 -7.298 450 HA THR 45 HA THR 45 -1.623 -0.774 -9.149 451 HB THR 45 HB THR 45 0.099 -1.782 -10.461 452 HG1 THR 45 1HG THR 45 1.936 -2.222 -9.593 453 1HG2 THR 45 1HG2 THR 45 -0.295 0.589 -11.006 454 2HG2 THR 45 3HG2 THR 45 0.966 1.056 -9.863 455 3HG2 THR 45 2HG2 THR 45 1.384 0.139 -11.314 456 QG2 THR 45 QG2 THR 45 0.685 0.595 -10.728 457 H TYR 46 H TYR 46 -2.339 -2.657 -8.303 458 HA TYR 46 HA TYR 46 -1.021 -3.710 -5.866 459 1HB TYR 46 2HB TYR 46 -3.396 -3.321 -5.751 460 2HB TYR 46 1HB TYR 46 -3.672 -4.214 -7.250 461 HD1 TYR 46 2HD TYR 46 -1.766 -4.860 -4.079 462 HD2 TYR 46 1HD TYR 46 -4.680 -6.293 -6.888 463 HE1 TYR 46 2HE TYR 46 -1.962 -6.968 -2.798 464 HE2 TYR 46 1HE TYR 46 -4.870 -8.410 -5.608 465 HH TYR 46 HH TYR 46 -2.784 -9.552 -3.623 466 QB TYR 46 QB TYR 46 -3.534 -3.768 -6.501 467 QG TYR 46 QD TYR 46 -3.223 -5.576 -5.483 468 QZ TYR 46 QE TYR 46 -3.416 -7.689 -4.203 469 QR TYR 46 QR TYR 46 -3.320 -6.633 -4.843 470 H ASP 47 H ASP 47 -0.216 -5.836 -5.744 471 HA ASP 47 HA ASP 47 0.105 -7.266 -8.361 472 1HB ASP 47 2HB ASP 47 2.075 -6.170 -6.998 473 2HB ASP 47 1HB ASP 47 1.904 -7.595 -5.972 474 QB ASP 47 QB ASP 47 1.989 -6.882 -6.485 475 H ASP 48 H ASP 48 -1.611 -8.737 -8.210 476 HA ASP 48 HA ASP 48 -2.363 -10.101 -5.771 477 1HB ASP 48 2HB ASP 48 -3.782 -11.404 -7.344 478 2HB ASP 48 1HB ASP 48 -3.896 -9.669 -7.637 479 QB ASP 48 QB ASP 48 -3.839 -10.536 -7.490 480 H ALA 49 H ALA 49 0.372 -10.534 -7.683 481 HA ALA 49 HA ALA 49 0.498 -13.473 -7.413 482 1HB ALA 49 1HB ALA 49 1.278 -11.800 -9.355 483 2HB ALA 49 3HB ALA 49 2.752 -11.764 -8.388 484 3HB ALA 49 2HB ALA 49 2.155 -13.295 -9.028 485 QB ALA 49 QB ALA 49 2.062 -12.287 -8.924 486 H THR 50 H THR 50 1.726 -10.537 -5.908 487 HA THR 50 HA THR 50 3.231 -12.242 -3.954 488 HB THR 50 HB THR 50 4.935 -10.425 -3.945 489 HG1 THR 50 1HG THR 50 4.435 -8.616 -4.847 490 1HG2 THR 50 1HG2 THR 50 4.903 -12.444 -5.575 491 2HG2 THR 50 3HG2 THR 50 4.476 -11.252 -6.802 492 3HG2 THR 50 2HG2 THR 50 6.001 -11.107 -5.927 493 QG2 THR 50 QG2 THR 50 5.127 -11.601 -6.101 494 H LYS 51 H LYS 51 0.574 -10.374 -4.281 495 HA LYS 51 HA LYS 51 -0.714 -9.052 -2.812 496 1HB LYS 51 2HB LYS 51 1.156 -10.402 -0.833 497 2HB LYS 51 1HB LYS 51 -0.380 -9.640 -0.426 498 1HG LYS 51 2HG LYS 51 -0.521 -11.640 -2.603 499 2HG LYS 51 1HG LYS 51 -0.107 -12.293 -1.019 500 1HD LYS 51 2HD LYS 51 -2.088 -10.967 -0.103 501 2HD LYS 51 1HD LYS 51 -2.562 -10.699 -1.781 502 1HE LYS 51 2HE LYS 51 -2.018 -13.484 -0.721 503 2HE LYS 51 1HE LYS 51 -3.627 -12.738 -0.625 504 1HZ LYS 51 2HZ LYS 51 -3.402 -12.216 -3.029 505 2HZ LYS 51 1HZ LYS 51 -1.992 -13.163 -3.068 506 3HZ LYS 51 3HZ LYS 51 -3.485 -13.880 -2.701 507 QB LYS 51 QB LYS 51 0.388 -10.021 -0.630 508 QG LYS 51 QG LYS 51 -0.314 -11.967 -1.811 509 QD LYS 51 QD LYS 51 -2.325 -10.833 -0.942 510 QE LYS 51 QE LYS 51 -2.823 -13.111 -0.673 511 QZ LYS 51 QZ LYS 51 -2.960 -13.086 -2.933 512 H THR 52 H THR 52 1.390 -7.660 -4.056 513 HA THR 52 HA THR 52 2.178 -5.748 -1.874 514 HB THR 52 HB THR 52 3.857 -6.661 -4.230 515 HG1 THR 52 1HG THR 52 4.734 -8.073 -2.903 516 1HG2 THR 52 1HG2 THR 52 4.132 -4.317 -3.081 517 2HG2 THR 52 3HG2 THR 52 4.860 -5.254 -1.776 518 3HG2 THR 52 2HG2 THR 52 5.560 -5.306 -3.395 519 QG2 THR 52 QG2 THR 52 4.851 -4.959 -2.751 520 H PHE 53 H PHE 53 1.765 -3.612 -2.376 521 HA PHE 53 HA PHE 53 0.558 -3.008 -5.004 522 1HB PHE 53 2HB PHE 53 0.872 -1.518 -2.388 523 2HB PHE 53 1HB PHE 53 0.086 -0.811 -3.802 524 HD1 PHE 53 2HD PHE 53 -0.050 -3.694 -1.431 525 HD2 PHE 53 1HD PHE 53 -2.175 -1.345 -4.346 526 HE1 PHE 53 2HE PHE 53 -2.165 -4.862 -0.837 527 HE2 PHE 53 1HE PHE 53 -4.272 -2.521 -3.752 528 1HZ PHE 53 HZ PHE 53 -4.268 -4.275 -2.005 529 QB PHE 53 QB PHE 53 0.479 -1.164 -3.095 530 QG PHE 53 QD PHE 53 -1.113 -2.519 -2.889 531 QZ PHE 53 QE PHE 53 -3.218 -3.691 -2.295 532 QZ PHE 53 QR PHE 53 -2.586 -3.339 -2.474 533 H THR 54 H THR 54 1.286 -0.399 -5.551 534 HA THR 54 HA THR 54 4.216 -0.102 -5.308 535 HB THR 54 HB THR 54 3.107 -0.136 -8.093 536 HG1 THR 54 1HG THR 54 3.585 -2.398 -8.165 537 1HG2 THR 54 2HG2 THR 54 5.549 0.382 -7.122 538 2HG2 THR 54 1HG2 THR 54 5.694 -1.367 -7.291 539 3HG2 THR 54 3HG2 THR 54 5.306 -0.375 -8.696 540 QG2 THR 54 QG2 THR 54 5.517 -0.453 -7.703 541 H VAL 55 H VAL 55 3.817 1.937 -4.407 542 HA VAL 55 HA VAL 55 2.265 3.845 -6.087 543 HB VAL 55 HB VAL 55 1.359 3.393 -3.860 544 1HG1 VAL 55 2HG1 VAL 55 4.157 4.149 -2.992 545 2HG1 VAL 55 1HG1 VAL 55 2.784 4.170 -1.880 546 3HG1 VAL 55 3HG1 VAL 55 3.268 2.656 -2.650 547 1HG2 VAL 55 1HG2 VAL 55 2.685 6.108 -4.105 548 2HG2 VAL 55 3HG2 VAL 55 1.076 5.667 -4.674 549 3HG2 VAL 55 2HG2 VAL 55 1.413 5.727 -2.941 550 QG1 VAL 55 QG1 VAL 55 3.403 3.658 -2.507 551 QG2 VAL 55 QG2 VAL 55 1.725 5.834 -3.907 552 QQG VAL 55 QQG VAL 55 2.564 4.746 -3.207 553 H THR 56 H THR 56 3.141 5.857 -6.590 554 HA THR 56 HA THR 56 5.889 6.486 -5.640 555 HB THR 56 HB THR 56 5.871 5.039 -7.745 556 HG1 THR 56 1HG THR 56 7.414 6.450 -8.772 557 1HG2 THR 56 1HG2 THR 56 3.940 6.804 -8.619 558 2HG2 THR 56 3HG2 THR 56 5.382 7.344 -9.480 559 3HG2 THR 56 2HG2 THR 56 4.835 5.673 -9.636 560 QG2 THR 56 QG2 THR 56 4.719 6.607 -9.245 561 H GLU 57 H GLU 57 6.444 8.711 -7.068 562 HA GLU 57 HA GLU 57 4.053 10.482 -6.653 563 1HB GLU 57 2HB GLU 57 7.021 11.014 -6.263 564 2HB GLU 57 1HB GLU 57 5.734 12.186 -5.981 565 1HG GLU 57 2HG GLU 57 5.753 11.406 -3.847 566 2HG GLU 57 1HG GLU 57 4.865 10.033 -4.502 567 QB GLU 57 QB GLU 57 6.378 11.600 -6.122 568 QG GLU 57 QG GLU 57 5.309 10.720 -4.175 No H/Q in entry = 568 Start of MODEL 29 1 1H MET 1 3HT MET 1 -3.997 -14.450 7.822 2 2H MET 1 2HT MET 1 -3.842 -15.786 6.785 3 3H MET 1 1HT MET 1 -3.245 -15.867 8.373 4 HA MET 1 HA MET 1 -1.552 -14.234 7.884 5 1HB MET 1 2HB MET 1 -1.895 -16.554 5.961 6 2HB MET 1 1HB MET 1 -0.380 -15.670 6.151 7 1HG MET 1 2HG MET 1 -0.787 -16.168 8.721 8 2HG MET 1 1HG MET 1 -1.766 -17.491 8.085 9 1HE MET 1 1HE MET 1 -0.906 -19.496 8.351 10 2HE MET 1 3HE MET 1 0.775 -20.042 8.286 11 3HE MET 1 2HE MET 1 0.238 -18.987 9.590 12 QB MET 1 QB MET 1 -1.138 -16.112 6.056 13 QG MET 1 QG MET 1 -1.276 -16.829 8.403 14 QE MET 1 QE MET 1 0.035 -19.508 8.743 15 H THR 2 H THR 2 -2.829 -12.295 7.101 16 HA THR 2 HA THR 2 -2.687 -12.027 4.112 17 HB THR 2 HB THR 2 -4.534 -10.683 6.113 18 HG1 THR 2 1HG THR 2 -5.070 -12.704 4.201 19 1HG2 THR 2 1HG2 THR 2 -4.110 -10.463 3.160 20 2HG2 THR 2 3HG2 THR 2 -5.754 -10.322 3.782 21 3HG2 THR 2 2HG2 THR 2 -4.504 -9.205 4.330 22 QG2 THR 2 QG2 THR 2 -4.789 -9.996 3.757 23 H THR 3 H THR 3 -0.372 -11.345 4.666 24 HA THR 3 HA THR 3 -0.201 -8.598 5.826 25 HB THR 3 HB THR 3 1.978 -10.570 5.074 26 HG1 THR 3 1HG THR 3 1.541 -11.558 6.860 27 1HG2 THR 3 1HG2 THR 3 2.243 -7.933 5.597 28 2HG2 THR 3 3HG2 THR 3 2.278 -8.564 7.244 29 3HG2 THR 3 2HG2 THR 3 3.456 -9.126 6.058 30 QG2 THR 3 QG2 THR 3 2.659 -8.541 6.300 31 H PHE 4 H PHE 4 -0.516 -7.086 4.226 32 HA PHE 4 HA PHE 4 0.466 -7.594 1.475 33 1HB PHE 4 2HB PHE 4 -1.249 -5.515 2.846 34 2HB PHE 4 1HB PHE 4 -0.739 -5.336 1.167 35 HD1 PHE 4 1HD PHE 4 -1.133 -7.422 -0.377 36 HD2 PHE 4 2HD PHE 4 -3.195 -6.718 3.321 37 HE1 PHE 4 1HE PHE 4 -2.937 -8.966 -1.092 38 HE2 PHE 4 2HE PHE 4 -5.002 -8.252 2.605 39 1HZ PHE 4 HZ PHE 4 -4.873 -9.383 0.402 40 QB PHE 4 QB PHE 4 -0.994 -5.426 2.007 41 QG PHE 4 QD PHE 4 -2.164 -7.070 1.472 42 QZ PHE 4 QE PHE 4 -3.970 -8.609 0.756 43 QZ PHE 4 QR PHE 4 -3.428 -8.148 0.972 44 H LYS 5 H LYS 5 2.149 -6.433 0.547 45 HA LYS 5 HA LYS 5 3.759 -4.714 2.393 46 1HB LYS 5 2HB LYS 5 4.446 -6.177 -0.185 47 2HB LYS 5 1HB LYS 5 5.596 -5.294 0.820 48 1HG LYS 5 2HG LYS 5 5.922 -7.358 1.756 49 2HG LYS 5 1HG LYS 5 4.498 -6.910 2.694 50 1HD LYS 5 2HD LYS 5 3.127 -8.356 1.564 51 2HD LYS 5 1HD LYS 5 3.983 -8.136 0.037 52 1HE LYS 5 2HE LYS 5 5.870 -9.513 0.927 53 2HE LYS 5 1HE LYS 5 4.920 -9.806 2.397 54 1HZ LYS 5 2HZ LYS 5 3.950 -10.357 -0.355 55 2HZ LYS 5 1HZ LYS 5 4.610 -11.538 0.671 56 3HZ LYS 5 3HZ LYS 5 3.170 -10.755 1.101 57 QB LYS 5 QB LYS 5 5.021 -5.736 0.317 58 QG LYS 5 QG LYS 5 5.210 -7.134 2.225 59 QD LYS 5 QD LYS 5 3.555 -8.246 0.801 60 QE LYS 5 QE LYS 5 5.395 -9.659 1.662 61 QZ LYS 5 QZ LYS 5 3.910 -10.883 0.472 62 H LEU 6 H LEU 6 5.230 -3.294 0.512 63 HA LEU 6 HA LEU 6 3.522 -2.081 -1.523 64 1HB LEU 6 2HB LEU 6 2.516 -1.178 0.507 65 2HB LEU 6 1HB LEU 6 4.093 -0.668 1.104 66 HG LEU 6 HG LEU 6 4.248 0.757 -1.041 67 1HD1 LEU 6 2HD1 LEU 6 1.290 0.102 -1.011 68 2HD1 LEU 6 1HD1 LEU 6 2.015 1.400 -1.961 69 3HD1 LEU 6 3HD1 LEU 6 2.440 -0.279 -2.292 70 1HD2 LEU 6 1HD2 LEU 6 3.445 1.354 1.461 71 2HD2 LEU 6 3HD2 LEU 6 3.477 2.553 0.168 72 3HD2 LEU 6 2HD2 LEU 6 1.964 1.752 0.590 73 QB LEU 6 QB LEU 6 3.304 -0.923 0.805 74 QD1 LEU 6 QD1 LEU 6 1.915 0.408 -1.755 75 QD2 LEU 6 QD2 LEU 6 2.962 1.887 0.739 76 QQD LEU 6 QQD LEU 6 2.438 1.147 -0.508 77 H ILE 7 H ILE 7 5.192 -2.055 -3.009 78 HA ILE 7 HA ILE 7 7.918 -1.236 -2.282 79 HB ILE 7 HB ILE 7 6.541 -1.832 -4.932 80 1HG1 ILE 7 2HG1 ILE 7 8.494 -3.656 -3.566 81 2HG1 ILE 7 1HG1 ILE 7 6.825 -3.627 -2.997 82 1HG2 ILE 7 2HG2 ILE 7 9.325 -1.090 -4.177 83 2HG2 ILE 7 1HG2 ILE 7 9.143 -2.377 -5.368 84 3HG2 ILE 7 3HG2 ILE 7 8.448 -0.787 -5.676 85 1HD1 ILE 7 1HD1 ILE 7 6.102 -3.979 -5.399 86 2HD1 ILE 7 3HD1 ILE 7 7.799 -4.256 -5.795 87 3HD1 ILE 7 2HD1 ILE 7 6.965 -5.340 -4.682 88 QG1 ILE 7 QG1 ILE 7 7.660 -3.642 -3.282 89 QG2 ILE 7 QG2 ILE 7 8.972 -1.418 -5.074 90 QD1 ILE 7 QD1 ILE 7 6.955 -4.525 -5.292 91 H ILE 8 H ILE 8 8.364 0.935 -2.084 92 HA ILE 8 HA ILE 8 6.522 2.879 -3.310 93 HB ILE 8 HB ILE 8 9.012 3.547 -1.745 94 1HG1 ILE 8 2HG1 ILE 8 7.611 1.767 -0.519 95 2HG1 ILE 8 1HG1 ILE 8 7.891 3.261 0.351 96 1HG2 ILE 8 2HG2 ILE 8 6.319 4.842 -2.234 97 2HG2 ILE 8 1HG2 ILE 8 7.442 5.418 -0.993 98 3HG2 ILE 8 3HG2 ILE 8 7.920 5.441 -2.692 99 1HD1 ILE 8 3HD1 ILE 8 5.482 3.406 -1.265 100 2HD1 ILE 8 2HD1 ILE 8 5.419 2.061 -0.130 101 3HD1 ILE 8 1HD1 ILE 8 5.686 3.702 0.460 102 QG1 ILE 8 QG1 ILE 8 7.751 2.514 -0.084 103 QG2 ILE 8 QG2 ILE 8 7.227 5.234 -1.973 104 QD1 ILE 8 QD1 ILE 8 5.529 3.056 -0.312 105 H ASN 9 H ASN 9 6.973 3.025 -5.522 106 HA ASN 9 HA ASN 9 9.681 2.963 -6.589 107 1HB ASN 9 2HB ASN 9 7.681 2.147 -7.780 108 2HB ASN 9 1HB ASN 9 7.018 3.775 -7.778 109 1HD2 ASN 9 2HD2 ASN 9 8.573 4.382 -10.878 110 2HD2 ASN 9 1HD2 ASN 9 7.159 4.466 -9.940 111 QB ASN 9 QB ASN 9 7.349 2.961 -7.779 112 QD2 ASN 9 QD2 ASN 9 7.866 4.424 -10.409 113 H GLY 10 H GLY 10 8.022 5.399 -4.954 114 1HA GLY 10 2HA GLY 10 9.056 7.635 -6.570 115 2HA GLY 10 1HA GLY 10 8.097 7.778 -5.095 116 QA GLY 10 QA GLY 10 8.577 7.706 -5.833 117 H LYS 11 H LYS 11 10.411 9.320 -5.453 118 HA LYS 11 HA LYS 11 12.791 8.166 -4.328 119 1HB LYS 11 2HB LYS 11 13.431 10.550 -4.061 120 2HB LYS 11 1HB LYS 11 12.711 10.247 -5.641 121 1HG LYS 11 2HG LYS 11 10.483 10.864 -4.206 122 2HG LYS 11 1HG LYS 11 11.679 11.851 -3.369 123 1HD LYS 11 2HD LYS 11 11.310 11.842 -6.376 124 2HD LYS 11 1HD LYS 11 10.573 13.027 -5.298 125 1HE LYS 11 2HE LYS 11 13.188 13.121 -4.468 126 2HE LYS 11 1HE LYS 11 13.376 12.817 -6.207 127 1HZ LYS 11 2HZ LYS 11 11.666 14.574 -6.569 128 2HZ LYS 11 1HZ LYS 11 11.778 14.962 -4.918 129 3HZ LYS 11 3HZ LYS 11 13.128 15.154 -5.926 130 QB LYS 11 QB LYS 11 13.071 10.399 -4.851 131 QG LYS 11 QG LYS 11 11.081 11.357 -3.788 132 QD LYS 11 QD LYS 11 10.942 12.435 -5.837 133 QE LYS 11 QE LYS 11 13.282 12.969 -5.337 134 QZ LYS 11 QZ LYS 11 12.191 14.897 -5.804 135 H THR 12 H THR 12 9.878 9.488 -2.869 136 HA THR 12 HA THR 12 11.009 9.784 -0.188 137 HB THR 12 HB THR 12 8.113 9.571 -1.056 138 HG1 THR 12 1HG THR 12 8.366 11.403 -2.018 139 1HG2 THR 12 3HG2 THR 12 9.587 10.559 1.346 140 2HG2 THR 12 2HG2 THR 12 8.132 11.428 0.856 141 3HG2 THR 12 1HG2 THR 12 8.045 9.709 1.246 142 QG2 THR 12 QG2 THR 12 8.588 10.565 1.149 143 H LEU 13 H LEU 13 10.408 8.452 1.640 144 HA LEU 13 HA LEU 13 10.099 6.418 2.767 145 1HB LEU 13 2HB LEU 13 8.093 6.494 0.570 146 2HB LEU 13 1HB LEU 13 8.366 4.920 1.314 147 HG LEU 13 HG LEU 13 7.749 7.463 2.844 148 1HD1 LEU 13 1HD1 LEU 13 6.037 5.231 1.780 149 2HD1 LEU 13 3HD1 LEU 13 5.595 6.018 3.296 150 3HD1 LEU 13 2HD1 LEU 13 5.713 6.965 1.817 151 1HD2 LEU 13 2HD2 LEU 13 8.288 4.599 3.598 152 2HD2 LEU 13 1HD2 LEU 13 8.889 6.077 4.349 153 3HD2 LEU 13 3HD2 LEU 13 7.217 5.578 4.601 154 QB LEU 13 QB LEU 13 8.230 5.707 0.942 155 QD1 LEU 13 QD1 LEU 13 5.782 6.072 2.298 156 QD2 LEU 13 QD2 LEU 13 8.131 5.418 4.182 157 QQD LEU 13 QQD LEU 13 6.957 5.745 3.240 158 H LYS 14 H LYS 14 9.745 5.103 -0.533 159 HA LYS 14 HA LYS 14 10.991 3.446 -1.661 160 1HB LYS 14 2HB LYS 14 12.951 5.197 -0.236 161 2HB LYS 14 1HB LYS 14 13.565 3.703 -0.941 162 1HG LYS 14 2HG LYS 14 11.749 5.176 -2.727 163 2HG LYS 14 1HG LYS 14 13.206 6.077 -2.311 164 1HD LYS 14 2HD LYS 14 14.312 3.668 -2.810 165 2HD LYS 14 1HD LYS 14 12.914 3.567 -3.879 166 1HE LYS 14 2HE LYS 14 13.794 5.083 -5.332 167 2HE LYS 14 1HE LYS 14 14.288 6.171 -4.020 168 1HZ LYS 14 1HZ LYS 14 15.653 3.613 -4.674 169 2HZ LYS 14 3HZ LYS 14 16.190 5.134 -5.201 170 3HZ LYS 14 2HZ LYS 14 16.153 4.776 -3.540 171 QB LYS 14 QB LYS 14 13.258 4.450 -0.588 172 QG LYS 14 QG LYS 14 12.477 5.627 -2.519 173 QD LYS 14 QD LYS 14 13.613 3.617 -3.344 174 QE LYS 14 QE LYS 14 14.041 5.627 -4.676 175 QZ LYS 14 QZ LYS 14 15.999 4.508 -4.472 176 H GLY 15 H GLY 15 10.233 1.509 -0.799 177 1HA GLY 15 2HA GLY 15 11.844 -0.290 0.511 178 2HA GLY 15 1HA GLY 15 11.065 0.569 1.841 179 QA GLY 15 QA GLY 15 11.455 0.139 1.176 180 H GLU 16 H GLU 16 10.357 -1.908 1.970 181 HA GLU 16 HA GLU 16 7.694 -2.117 0.599 182 1HB GLU 16 2HB GLU 16 9.954 -4.063 0.986 183 2HB GLU 16 1HB GLU 16 8.304 -4.671 0.849 184 1HG GLU 16 2HG GLU 16 8.107 -4.044 -1.353 185 2HG GLU 16 1HG GLU 16 9.160 -2.643 -1.158 186 QB GLU 16 QB GLU 16 9.129 -4.367 0.917 187 QG GLU 16 QG GLU 16 8.634 -3.343 -1.255 188 H ILE 17 H ILE 17 7.285 -0.948 2.840 189 HA ILE 17 HA ILE 17 7.463 -2.398 5.302 190 HB ILE 17 HB ILE 17 7.083 0.031 5.087 191 1HG1 ILE 17 2HG1 ILE 17 5.125 0.197 6.696 192 2HG1 ILE 17 1HG1 ILE 17 4.899 -1.539 6.482 193 1HG2 ILE 17 1HG2 ILE 17 5.217 -0.689 3.163 194 2HG2 ILE 17 3HG2 ILE 17 4.212 -0.152 4.510 195 3HG2 ILE 17 2HG2 ILE 17 5.428 0.928 3.832 196 1HD1 ILE 17 3HD1 ILE 17 7.652 -0.598 7.129 197 2HD1 ILE 17 2HD1 ILE 17 6.457 -0.542 8.425 198 3HD1 ILE 17 1HD1 ILE 17 6.822 -2.072 7.628 199 QG1 ILE 17 QG1 ILE 17 5.012 -0.671 6.589 200 QG2 ILE 17 QG2 ILE 17 4.952 0.029 3.835 201 QD1 ILE 17 QD1 ILE 17 6.977 -1.071 7.727 202 H THR 18 H THR 18 6.322 -4.165 5.961 203 HA THR 18 HA THR 18 4.002 -5.080 4.343 204 HB THR 18 HB THR 18 4.416 -7.188 5.591 205 HG1 THR 18 1HG THR 18 5.370 -7.003 7.429 206 1HG2 THR 18 3HG2 THR 18 6.024 -6.054 3.655 207 2HG2 THR 18 2HG2 THR 18 7.187 -6.500 4.902 208 3HG2 THR 18 1HG2 THR 18 6.127 -7.725 4.207 209 QG2 THR 18 QG2 THR 18 6.446 -6.760 4.255 210 H ILE 19 H ILE 19 1.926 -5.139 5.169 211 HA ILE 19 HA ILE 19 1.517 -4.678 8.091 212 HB ILE 19 HB ILE 19 -0.124 -2.897 7.552 213 1HG1 ILE 19 2HG1 ILE 19 0.372 -2.041 5.024 214 2HG1 ILE 19 1HG1 ILE 19 0.528 -3.782 4.789 215 1HG2 ILE 19 3HG2 ILE 19 2.365 -2.462 7.934 216 2HG2 ILE 19 2HG2 ILE 19 2.503 -2.293 6.185 217 3HG2 ILE 19 1HG2 ILE 19 1.477 -1.188 7.098 218 1HD1 ILE 19 1HD1 ILE 19 -1.709 -3.841 6.212 219 2HD1 ILE 19 3HD1 ILE 19 -1.869 -2.186 5.621 220 3HD1 ILE 19 2HD1 ILE 19 -1.758 -3.524 4.477 221 QG1 ILE 19 QG1 ILE 19 0.450 -2.912 4.906 222 QG2 ILE 19 QG2 ILE 19 2.115 -1.981 7.072 223 QD1 ILE 19 QD1 ILE 19 -1.779 -3.184 5.437 224 H GLU 20 H GLU 20 -0.123 -5.942 8.874 225 HA GLU 20 HA GLU 20 -1.510 -7.794 7.086 226 1HB GLU 20 2HB GLU 20 -1.601 -7.200 10.060 227 2HB GLU 20 1HB GLU 20 -2.493 -8.524 9.306 228 1HG GLU 20 2HG GLU 20 -0.475 -9.595 8.586 229 2HG GLU 20 1HG GLU 20 0.497 -8.180 8.991 230 QB GLU 20 QB GLU 20 -2.047 -7.862 9.683 231 QG GLU 20 QG GLU 20 0.011 -8.887 8.789 232 H ALA 21 H ALA 21 -3.777 -7.844 6.695 233 HA ALA 21 HA ALA 21 -5.541 -5.756 7.790 234 1HB ALA 21 1HB ALA 21 -4.150 -4.703 5.954 235 2HB ALA 21 3HB ALA 21 -4.894 -5.837 4.827 236 3HB ALA 21 2HB ALA 21 -5.889 -4.646 5.664 237 QB ALA 21 QB ALA 21 -4.978 -5.062 5.482 238 H VAL 22 H VAL 22 -7.793 -6.054 6.945 239 HA VAL 22 HA VAL 22 -8.692 -8.715 6.966 240 HB VAL 22 HB VAL 22 -10.068 -6.724 7.414 241 1HG1 VAL 22 2HG1 VAL 22 -8.948 -5.444 5.444 242 2HG1 VAL 22 1HG1 VAL 22 -10.184 -6.209 4.444 243 3HG1 VAL 22 3HG1 VAL 22 -10.657 -5.143 5.767 244 1HG2 VAL 22 2HG2 VAL 22 -10.967 -8.984 6.355 245 2HG2 VAL 22 1HG2 VAL 22 -12.047 -7.609 6.582 246 3HG2 VAL 22 3HG2 VAL 22 -11.356 -7.933 4.992 247 QG1 VAL 22 QG1 VAL 22 -9.930 -5.599 5.218 248 QG2 VAL 22 QG2 VAL 22 -11.457 -8.175 5.976 249 QQG VAL 22 QQG VAL 22 -10.693 -6.887 5.597 250 H ASP 23 H ASP 23 -7.953 -6.625 4.182 251 HA ASP 23 HA ASP 23 -7.490 -8.976 2.470 252 1HB ASP 23 2HB ASP 23 -9.854 -7.118 2.264 253 2HB ASP 23 1HB ASP 23 -9.196 -7.858 0.805 254 QB ASP 23 QB ASP 23 -9.525 -7.488 1.534 255 H ALA 24 H ALA 24 -6.840 -8.094 0.181 256 HA ALA 24 HA ALA 24 -4.742 -6.177 0.470 257 1HB ALA 24 1HB ALA 24 -5.372 -8.022 -1.349 258 2HB ALA 24 3HB ALA 24 -6.087 -6.633 -2.169 259 3HB ALA 24 2HB ALA 24 -4.367 -6.635 -1.774 260 QB ALA 24 QB ALA 24 -5.275 -7.097 -1.764 261 H ALA 25 H ALA 25 -8.125 -5.849 -0.522 262 HA ALA 25 HA ALA 25 -8.147 -3.242 -1.579 263 1HB ALA 25 1HB ALA 25 -10.156 -4.666 0.195 264 2HB ALA 25 3HB ALA 25 -10.519 -3.260 -0.806 265 3HB ALA 25 2HB ALA 25 -10.059 -4.786 -1.561 266 QB ALA 25 QB ALA 25 -10.245 -4.238 -0.724 267 H GLU 26 H GLU 26 -8.554 -4.257 1.827 268 HA GLU 26 HA GLU 26 -8.680 -1.603 2.935 269 1HB GLU 26 2HB GLU 26 -8.898 -4.266 3.789 270 2HB GLU 26 1HB GLU 26 -7.479 -3.667 4.645 271 1HG GLU 26 2HG GLU 26 -9.693 -1.736 4.640 272 2HG GLU 26 1HG GLU 26 -10.120 -3.261 5.412 273 QB GLU 26 QB GLU 26 -8.189 -3.967 4.217 274 QG GLU 26 QG GLU 26 -9.906 -2.499 5.026 275 H ALA 27 H ALA 27 -5.999 -3.885 2.367 276 HA ALA 27 HA ALA 27 -3.874 -2.458 3.594 277 1HB ALA 27 1HB ALA 27 -4.253 -4.501 1.491 278 2HB ALA 27 3HB ALA 27 -2.742 -3.596 1.364 279 3HB ALA 27 2HB ALA 27 -3.121 -4.482 2.844 280 QB ALA 27 QB ALA 27 -3.372 -4.193 1.899 281 H GLU 28 H GLU 28 -5.215 -2.176 0.291 282 HA GLU 28 HA GLU 28 -3.410 -0.200 -0.706 283 1HB GLU 28 2HB GLU 28 -5.278 -1.639 -1.838 284 2HB GLU 28 1HB GLU 28 -6.348 -0.311 -1.386 285 1HG GLU 28 2HG GLU 28 -4.540 1.211 -2.492 286 2HG GLU 28 1HG GLU 28 -3.998 -0.274 -3.278 287 QB GLU 28 QB GLU 28 -5.813 -0.975 -1.612 288 QG GLU 28 QG GLU 28 -4.269 0.469 -2.885 289 H LYS 29 H LYS 29 -6.361 0.046 1.251 290 HA LYS 29 HA LYS 29 -6.574 2.937 1.186 291 1HB LYS 29 2HB LYS 29 -7.480 0.895 3.252 292 2HB LYS 29 1HB LYS 29 -8.093 2.539 3.101 293 1HG LYS 29 2HG LYS 29 -8.253 0.491 0.876 294 2HG LYS 29 1HG LYS 29 -9.555 0.779 2.029 295 1HD LYS 29 2HD LYS 29 -8.337 2.895 0.232 296 2HD LYS 29 1HD LYS 29 -9.856 2.058 -0.083 297 1HE LYS 29 2HE LYS 29 -10.597 2.886 2.253 298 2HE LYS 29 1HE LYS 29 -9.225 4.007 2.140 299 1HZ LYS 29 2HZ LYS 29 -10.042 4.735 -0.017 300 2HZ LYS 29 1HZ LYS 29 -11.371 3.685 0.108 301 3HZ LYS 29 3HZ LYS 29 -11.221 4.990 1.181 302 QB LYS 29 QB LYS 29 -7.786 1.717 3.176 303 QG LYS 29 QG LYS 29 -8.904 0.635 1.453 304 QD LYS 29 QD LYS 29 -9.096 2.476 0.075 305 QE LYS 29 QE LYS 29 -9.911 3.446 2.197 306 QZ LYS 29 QZ LYS 29 -10.878 4.470 0.424 307 H ILE 30 H ILE 30 -5.273 0.629 3.587 308 HA ILE 30 HA ILE 30 -4.188 2.512 5.435 309 HB ILE 30 HB ILE 30 -3.272 -0.272 4.609 310 1HG1 ILE 30 2HG1 ILE 30 -4.902 0.407 7.044 311 2HG1 ILE 30 1HG1 ILE 30 -5.699 0.216 5.483 312 1HG2 ILE 30 3HG2 ILE 30 -2.668 1.410 7.061 313 2HG2 ILE 30 2HG2 ILE 30 -2.358 -0.324 6.967 314 3HG2 ILE 30 1HG2 ILE 30 -1.509 0.783 5.888 315 1HD1 ILE 30 3HD1 ILE 30 -3.736 -1.892 6.219 316 2HD1 ILE 30 2HD1 ILE 30 -5.236 -1.861 7.148 317 3HD1 ILE 30 1HD1 ILE 30 -5.289 -2.037 5.395 318 QG1 ILE 30 QG1 ILE 30 -5.301 0.311 6.263 319 QG2 ILE 30 QG2 ILE 30 -2.179 0.623 6.639 320 QD1 ILE 30 QD1 ILE 30 -4.753 -1.930 6.254 321 H PHE 31 H PHE 31 -2.820 1.010 2.522 322 HA PHE 31 HA PHE 31 -0.212 2.266 2.742 323 1HB PHE 31 2HB PHE 31 -1.808 0.801 0.642 324 2HB PHE 31 1HB PHE 31 -0.269 1.552 0.216 325 HD1 PHE 31 1HD PHE 31 1.474 1.158 2.433 326 HD2 PHE 31 2HD PHE 31 -1.551 -1.493 0.923 327 HE1 PHE 31 1HE PHE 31 2.688 -0.777 3.399 328 HE2 PHE 31 2HE PHE 31 -0.334 -3.428 1.888 329 1HZ PHE 31 HZ PHE 31 1.784 -3.068 3.127 330 QB PHE 31 QB PHE 31 -1.038 1.177 0.429 331 QG PHE 31 QD PHE 31 -0.038 -0.168 1.678 332 QZ PHE 31 QE PHE 31 1.177 -2.103 2.644 333 QZ PHE 31 QR PHE 31 0.812 -1.522 2.354 334 H LYS 32 H LYS 32 -3.260 3.047 1.103 335 HA LYS 32 HA LYS 32 -2.230 5.336 -0.317 336 1HB LYS 32 2HB LYS 32 -4.932 4.180 0.295 337 2HB LYS 32 1HB LYS 32 -4.783 5.733 -0.528 338 1HG LYS 32 2HG LYS 32 -3.100 3.492 -1.551 339 2HG LYS 32 1HG LYS 32 -4.833 3.419 -1.884 340 1HD LYS 32 2HD LYS 32 -3.166 5.884 -2.436 341 2HD LYS 32 1HD LYS 32 -3.434 4.623 -3.640 342 1HE LYS 32 2HE LYS 32 -5.991 5.010 -2.895 343 2HE LYS 32 1HE LYS 32 -5.352 6.631 -2.550 344 1HZ LYS 32 3HZ LYS 32 -4.300 6.599 -4.761 345 2HZ LYS 32 2HZ LYS 32 -5.065 5.118 -5.092 346 3HZ LYS 32 1HZ LYS 32 -5.992 6.521 -4.853 347 QB LYS 32 QB LYS 32 -4.857 4.956 -0.116 348 QG LYS 32 QG LYS 32 -3.966 3.455 -1.717 349 QD LYS 32 QD LYS 32 -3.300 5.253 -3.038 350 QE LYS 32 QE LYS 32 -5.672 5.821 -2.722 351 QZ LYS 32 QZ LYS 32 -5.119 6.079 -4.902 352 H GLN 33 H GLN 33 -2.749 4.896 2.967 353 HA GLN 33 HA GLN 33 -3.495 7.779 3.433 354 1HB GLN 33 2HB GLN 33 -3.573 5.228 5.078 355 2HB GLN 33 1HB GLN 33 -3.740 6.818 5.825 356 1HG GLN 33 2HG GLN 33 -5.634 7.280 4.220 357 2HG GLN 33 1HG GLN 33 -5.541 5.592 3.721 358 1HE2 GLN 33 2HE2 GLN 33 -7.820 4.858 6.319 359 2HE2 GLN 33 1HE2 GLN 33 -7.508 4.827 4.650 360 QB GLN 33 QB GLN 33 -3.656 6.023 5.451 361 QG GLN 33 QG GLN 33 -5.587 6.436 3.971 362 QE2 GLN 33 QE2 GLN 33 -7.664 4.843 5.485 363 H TYR 34 H TYR 34 -1.363 5.135 4.180 364 HA TYR 34 HA TYR 34 0.706 6.305 5.698 365 1HB TYR 34 2HB TYR 34 0.510 3.968 5.435 366 2HB TYR 34 1HB TYR 34 0.261 4.097 3.693 367 HD1 TYR 34 1HD TYR 34 2.880 4.833 6.309 368 HD2 TYR 34 2HD TYR 34 2.057 3.520 2.303 369 HE1 TYR 34 1HE TYR 34 5.291 4.369 5.967 370 HE2 TYR 34 2HE TYR 34 4.469 3.059 1.960 371 HH TYR 34 HH TYR 34 6.609 2.658 4.283 372 QB TYR 34 QB TYR 34 0.385 4.033 4.564 373 QG TYR 34 QD TYR 34 2.468 4.177 4.306 374 QZ TYR 34 QE TYR 34 4.880 3.714 3.963 375 QR TYR 34 QR TYR 34 3.674 3.945 4.135 376 H ALA 35 H ALA 35 -0.170 6.750 2.334 377 HA ALA 35 HA ALA 35 2.457 7.789 1.457 378 1HB ALA 35 2HB ALA 35 -0.152 6.943 0.341 379 2HB ALA 35 1HB ALA 35 0.583 8.322 -0.489 380 3HB ALA 35 3HB ALA 35 1.466 6.796 -0.349 381 QB ALA 35 QB ALA 35 0.632 7.354 -0.166 382 H ASN 36 H ASN 36 -0.882 9.055 1.255 383 HA ASN 36 HA ASN 36 -0.331 11.774 0.845 384 1HB ASN 36 2HB ASN 36 -2.582 10.339 2.266 385 2HB ASN 36 1HB ASN 36 -2.647 12.053 1.852 386 1HD2 ASN 36 2HD2 ASN 36 -3.117 9.254 -1.074 387 2HD2 ASN 36 1HD2 ASN 36 -2.718 8.790 0.509 388 QB ASN 36 QB ASN 36 -2.614 11.196 2.059 389 QD2 ASN 36 QD2 ASN 36 -2.917 9.022 -0.282 390 H ASP 37 H ASP 37 -0.751 10.102 3.977 391 HA ASP 37 HA ASP 37 -0.757 12.212 5.783 392 1HB ASP 37 2HB ASP 37 0.387 10.608 7.318 393 2HB ASP 37 1HB ASP 37 -0.936 9.870 6.423 394 QB ASP 37 QB ASP 37 -0.275 10.239 6.871 395 H ASN 38 H ASN 38 1.932 11.123 3.882 396 HA ASN 38 HA ASN 38 3.737 13.017 5.258 397 1HB ASN 38 2HB ASN 38 4.066 10.432 4.893 398 2HB ASN 38 1HB ASN 38 4.587 10.935 3.282 399 1HD2 ASN 38 2HD2 ASN 38 7.672 12.260 4.405 400 2HD2 ASN 38 1HD2 ASN 38 6.625 12.028 3.088 401 QB ASN 38 QB ASN 38 4.327 10.683 4.087 402 QD2 ASN 38 QD2 ASN 38 7.149 12.144 3.746 403 H GLY 39 H GLY 39 3.214 11.772 1.934 404 1HA GLY 39 2HA GLY 39 2.516 13.987 0.534 405 2HA GLY 39 1HA GLY 39 4.240 14.268 0.783 406 QA GLY 39 QA GLY 39 3.378 14.127 0.658 407 H ILE 40 H ILE 40 2.163 11.478 -0.098 408 HA ILE 40 HA ILE 40 4.192 10.738 -2.183 409 HB ILE 40 HB ILE 40 2.226 9.286 -0.447 410 1HG1 ILE 40 2HG1 ILE 40 4.764 10.249 0.125 411 2HG1 ILE 40 1HG1 ILE 40 3.903 9.027 1.041 412 1HG2 ILE 40 1HG2 ILE 40 4.089 8.103 -2.509 413 2HG2 ILE 40 3HG2 ILE 40 3.139 7.176 -1.345 414 3HG2 ILE 40 2HG2 ILE 40 2.326 8.129 -2.589 415 1HD1 ILE 40 3HD1 ILE 40 5.608 8.314 -1.336 416 2HD1 ILE 40 2HD1 ILE 40 6.286 8.464 0.289 417 3HD1 ILE 40 1HD1 ILE 40 5.032 7.263 -0.037 418 QG1 ILE 40 QG1 ILE 40 4.334 9.638 0.583 419 QG2 ILE 40 QG2 ILE 40 3.184 7.803 -2.148 420 QD1 ILE 40 QD1 ILE 40 5.642 8.014 -0.361 421 H ASP 41 H ASP 41 3.412 10.795 -4.298 422 HA ASP 41 HA ASP 41 0.655 10.144 -4.977 423 1HB ASP 41 2HB ASP 41 0.063 12.449 -5.737 424 2HB ASP 41 1HB ASP 41 0.328 12.362 -3.996 425 QB ASP 41 QB ASP 41 0.195 12.405 -4.867 426 H GLY 42 H GLY 42 1.340 8.890 -6.693 427 1HA GLY 42 2HA GLY 42 2.346 10.275 -9.075 428 2HA GLY 42 1HA GLY 42 3.448 9.067 -8.415 429 QA GLY 42 QA GLY 42 2.897 9.671 -8.745 430 H GLU 43 H GLU 43 2.172 6.911 -7.833 431 HA GLU 43 HA GLU 43 0.023 6.285 -9.785 432 1HB GLU 43 2HB GLU 43 2.818 5.100 -9.788 433 2HB GLU 43 1HB GLU 43 1.463 4.396 -10.673 434 1HG GLU 43 2HG GLU 43 1.169 6.740 -11.718 435 2HG GLU 43 1HG GLU 43 2.790 7.072 -11.105 436 QB GLU 43 QB GLU 43 2.140 4.748 -10.230 437 QG GLU 43 QG GLU 43 1.980 6.906 -11.412 438 H TRP 44 H TRP 44 -0.629 3.878 -9.473 439 HA TRP 44 HA TRP 44 0.093 2.668 -6.854 440 1HB TRP 44 2HB TRP 44 -2.508 4.043 -7.512 441 2HB TRP 44 1HB TRP 44 -2.524 2.629 -6.451 442 HD1 TRP 44 HD TRP 44 -1.420 6.261 -6.573 443 HE1 TRP 44 1HE TRP 44 -0.607 6.952 -4.224 444 HE3 TRP 44 3HE TRP 44 -1.488 1.714 -4.289 445 HZ2 TRP 44 2HZ TRP 44 -0.058 5.719 -1.697 446 HZ3 TRP 44 3HZ TRP 44 -0.820 1.497 -1.903 447 HH2 TRP 44 HH TRP 44 -0.099 3.491 -0.618 448 QB TRP 44 QB TRP 44 -2.516 3.336 -6.981 449 H THR 45 H THR 45 0.205 0.512 -7.238 450 HA THR 45 HA THR 45 -1.805 -0.761 -9.037 451 HB THR 45 HB THR 45 -0.134 -1.776 -10.402 452 HG1 THR 45 1HG THR 45 1.396 -2.396 -9.002 453 1HG2 THR 45 2HG2 THR 45 -0.487 0.630 -10.888 454 2HG2 THR 45 1HG2 THR 45 0.865 1.020 -9.822 455 3HG2 THR 45 3HG2 THR 45 1.144 0.101 -11.304 456 QG2 THR 45 QG2 THR 45 0.507 0.584 -10.672 457 H TYR 46 H TYR 46 -2.471 -2.677 -8.179 458 HA TYR 46 HA TYR 46 -1.113 -3.667 -5.735 459 1HB TYR 46 2HB TYR 46 -3.483 -3.336 -5.586 460 2HB TYR 46 1HB TYR 46 -3.767 -4.222 -7.089 461 HD1 TYR 46 1HD TYR 46 -1.879 -4.830 -3.899 462 HD2 TYR 46 2HD TYR 46 -4.673 -6.357 -6.779 463 HE1 TYR 46 1HE TYR 46 -2.026 -6.950 -2.629 464 HE2 TYR 46 2HE TYR 46 -4.820 -8.482 -5.505 465 HH TYR 46 HH TYR 46 -2.865 -9.641 -3.630 466 QB TYR 46 QB TYR 46 -3.625 -3.779 -6.337 467 QG TYR 46 QD TYR 46 -3.276 -5.594 -5.339 468 QZ TYR 46 QE TYR 46 -3.423 -7.716 -4.067 469 QR TYR 46 QR TYR 46 -3.349 -6.655 -4.703 470 H ASP 47 H ASP 47 -0.326 -5.812 -5.570 471 HA ASP 47 HA ASP 47 0.028 -7.264 -8.174 472 1HB ASP 47 2HB ASP 47 1.982 -6.050 -6.873 473 2HB ASP 47 1HB ASP 47 1.914 -7.482 -5.844 474 QB ASP 47 QB ASP 47 1.948 -6.766 -6.358 475 H ASP 48 H ASP 48 -1.616 -8.796 -7.938 476 HA ASP 48 HA ASP 48 -2.261 -10.137 -5.462 477 1HB ASP 48 2HB ASP 48 -3.736 -9.763 -7.469 478 2HB ASP 48 1HB ASP 48 -2.796 -10.989 -8.319 479 QB ASP 48 QB ASP 48 -3.266 -10.376 -7.894 480 H ALA 49 H ALA 49 0.449 -10.509 -7.443 481 HA ALA 49 HA ALA 49 0.717 -13.428 -7.110 482 1HB ALA 49 2HB ALA 49 1.441 -11.700 -9.052 483 2HB ALA 49 1HB ALA 49 2.921 -11.673 -8.093 484 3HB ALA 49 3HB ALA 49 2.325 -13.197 -8.752 485 QB ALA 49 QB ALA 49 2.229 -12.190 -8.633 486 H THR 50 H THR 50 1.871 -10.419 -5.693 487 HA THR 50 HA THR 50 3.432 -12.021 -3.695 488 HB THR 50 HB THR 50 5.035 -10.112 -3.710 489 HG1 THR 50 1HG THR 50 4.767 -8.508 -5.227 490 1HG2 THR 50 1HG2 THR 50 5.084 -12.161 -5.326 491 2HG2 THR 50 3HG2 THR 50 4.653 -10.979 -6.561 492 3HG2 THR 50 2HG2 THR 50 6.151 -10.795 -5.651 493 QG2 THR 50 QG2 THR 50 5.296 -11.312 -5.846 494 H LYS 51 H LYS 51 0.680 -10.294 -4.052 495 HA LYS 51 HA LYS 51 -0.679 -9.025 -2.600 496 1HB LYS 51 2HB LYS 51 1.244 -10.267 -0.601 497 2HB LYS 51 1HB LYS 51 -0.331 -9.579 -0.208 498 1HG LYS 51 2HG LYS 51 -0.215 -11.680 -2.334 499 2HG LYS 51 1HG LYS 51 -0.041 -12.189 -0.655 500 1HD LYS 51 2HD LYS 51 -2.139 -10.828 -0.158 501 2HD LYS 51 1HD LYS 51 -2.358 -10.700 -1.904 502 1HE LYS 51 2HE LYS 51 -1.900 -13.400 -1.607 503 2HE LYS 51 1HE LYS 51 -2.815 -13.014 -0.136 504 1HZ LYS 51 1HZ LYS 51 -3.585 -12.085 -2.849 505 2HZ LYS 51 3HZ LYS 51 -4.231 -13.474 -2.119 506 3HZ LYS 51 2HZ LYS 51 -4.492 -11.948 -1.420 507 QB LYS 51 QB LYS 51 0.457 -9.923 -0.405 508 QG LYS 51 QG LYS 51 -0.128 -11.934 -1.495 509 QD LYS 51 QD LYS 51 -2.249 -10.764 -1.031 510 QE LYS 51 QE LYS 51 -2.358 -13.207 -0.872 511 QZ LYS 51 QZ LYS 51 -4.103 -12.502 -2.129 512 H THR 52 H THR 52 1.510 -7.626 -3.822 513 HA THR 52 HA THR 52 2.109 -5.606 -1.677 514 HB THR 52 HB THR 52 3.896 -6.529 -3.951 515 HG1 THR 52 1HG THR 52 4.882 -7.770 -2.487 516 1HG2 THR 52 1HG2 THR 52 4.351 -4.677 -1.597 517 2HG2 THR 52 3HG2 THR 52 5.631 -5.269 -2.657 518 3HG2 THR 52 2HG2 THR 52 4.357 -4.235 -3.304 519 QG2 THR 52 QG2 THR 52 4.779 -4.727 -2.519 520 H PHE 53 H PHE 53 1.734 -3.476 -2.286 521 HA PHE 53 HA PHE 53 0.505 -3.028 -4.936 522 1HB PHE 53 2HB PHE 53 0.794 -1.422 -2.389 523 2HB PHE 53 1HB PHE 53 0.022 -0.773 -3.835 524 HD1 PHE 53 2HD PHE 53 -0.111 -3.648 -1.438 525 HD2 PHE 53 1HD PHE 53 -2.258 -1.245 -4.294 526 HE1 PHE 53 2HE PHE 53 -2.227 -4.786 -0.813 527 HE2 PHE 53 1HE PHE 53 -4.360 -2.388 -3.662 528 1HZ PHE 53 HZ PHE 53 -4.347 -4.156 -1.928 529 QB PHE 53 QB PHE 53 0.408 -1.097 -3.112 530 QG PHE 53 QD PHE 53 -1.184 -2.446 -2.866 531 QZ PHE 53 QE PHE 53 -3.294 -3.587 -2.238 532 QZ PHE 53 QR PHE 53 -2.661 -3.245 -2.427 533 H THR 54 H THR 54 1.212 -0.352 -5.480 534 HA THR 54 HA THR 54 4.160 -0.141 -5.371 535 HB THR 54 HB THR 54 2.840 -0.086 -8.073 536 HG1 THR 54 1HG THR 54 3.785 -2.415 -6.756 537 1HG2 THR 54 1HG2 THR 54 5.590 -0.627 -6.965 538 2HG2 THR 54 3HG2 THR 54 5.164 -1.058 -8.621 539 3HG2 THR 54 2HG2 THR 54 5.092 0.626 -8.101 540 QG2 THR 54 QG2 THR 54 5.282 -0.353 -7.896 541 H VAL 55 H VAL 55 4.006 1.900 -4.462 542 HA VAL 55 HA VAL 55 2.333 3.894 -5.912 543 HB VAL 55 HB VAL 55 1.591 3.501 -3.652 544 1HG1 VAL 55 2HG1 VAL 55 4.488 3.983 -2.890 545 2HG1 VAL 55 1HG1 VAL 55 3.156 3.941 -1.731 546 3HG1 VAL 55 3HG1 VAL 55 3.541 2.501 -2.673 547 1HG2 VAL 55 3HG2 VAL 55 3.177 6.078 -3.843 548 2HG2 VAL 55 2HG2 VAL 55 1.505 5.836 -4.347 549 3HG2 VAL 55 1HG2 VAL 55 1.930 5.756 -2.637 550 QG1 VAL 55 QG1 VAL 55 3.728 3.475 -2.431 551 QG2 VAL 55 QG2 VAL 55 2.204 5.890 -3.609 552 QQG VAL 55 QQG VAL 55 2.966 4.683 -3.020 553 H THR 56 H THR 56 3.345 5.504 -6.942 554 HA THR 56 HA THR 56 6.182 6.108 -6.197 555 HB THR 56 HB THR 56 5.466 4.771 -8.392 556 HG1 THR 56 1HG THR 56 7.317 6.895 -8.596 557 1HG2 THR 56 2HG2 THR 56 3.931 6.628 -9.167 558 2HG2 THR 56 1HG2 THR 56 5.371 7.613 -9.424 559 3HG2 THR 56 3HG2 THR 56 5.149 6.123 -10.342 560 QG2 THR 56 QG2 THR 56 4.817 6.788 -9.644 561 H GLU 57 H GLU 57 6.715 8.365 -7.424 562 HA GLU 57 HA GLU 57 4.434 10.233 -6.864 563 1HB GLU 57 2HB GLU 57 6.375 10.010 -5.158 564 2HB GLU 57 1HB GLU 57 7.352 10.843 -6.368 565 1HG GLU 57 2HG GLU 57 5.208 12.472 -6.360 566 2HG GLU 57 1HG GLU 57 5.115 11.877 -4.702 567 QB GLU 57 QB GLU 57 6.864 10.426 -5.763 568 QG GLU 57 QG GLU 57 5.161 12.174 -5.531 No H/Q in entry = 568 Start of MODEL 30 1 1H MET 1 2HT MET 1 -3.807 -14.449 7.538 2 2H MET 1 1HT MET 1 -3.106 -15.758 6.714 3 3H MET 1 3HT MET 1 -2.860 -15.579 8.382 4 HA MET 1 HA MET 1 -1.500 -13.665 8.084 5 1HB MET 1 2HB MET 1 -0.849 -16.180 7.465 6 2HB MET 1 1HB MET 1 -0.624 -15.472 5.864 7 1HG MET 1 2HG MET 1 1.046 -13.987 6.625 8 2HG MET 1 1HG MET 1 0.580 -14.190 8.313 9 1HE MET 1 2HE MET 1 2.834 -14.169 8.718 10 2HE MET 1 1HE MET 1 3.771 -15.638 8.979 11 3HE MET 1 3HE MET 1 3.921 -14.747 7.456 12 QB MET 1 QB MET 1 -0.737 -15.826 6.665 13 QG MET 1 QG MET 1 0.813 -14.088 7.469 14 QE MET 1 QE MET 1 3.509 -14.851 8.384 15 H THR 2 H THR 2 -2.575 -11.834 7.162 16 HA THR 2 HA THR 2 -2.552 -11.684 4.162 17 HB THR 2 HB THR 2 -4.203 -10.169 6.213 18 HG1 THR 2 1HG THR 2 -5.131 -12.073 6.238 19 1HG2 THR 2 2HG2 THR 2 -4.014 -10.142 3.221 20 2HG2 THR 2 1HG2 THR 2 -5.578 -9.853 3.982 21 3HG2 THR 2 3HG2 THR 2 -4.216 -8.792 4.338 22 QG2 THR 2 QG2 THR 2 -4.603 -9.596 3.847 23 H THR 3 H THR 3 -0.154 -11.173 5.582 24 HA THR 3 HA THR 3 0.181 -8.365 6.222 25 HB THR 3 HB THR 3 2.346 -10.274 5.335 26 HG1 THR 3 1HG THR 3 1.501 -11.568 6.769 27 1HG2 THR 3 2HG2 THR 3 2.504 -7.729 6.206 28 2HG2 THR 3 1HG2 THR 3 2.515 -8.564 7.761 29 3HG2 THR 3 3HG2 THR 3 3.748 -8.931 6.552 30 QG2 THR 3 QG2 THR 3 2.922 -8.408 6.840 31 H PHE 4 H PHE 4 -0.590 -7.148 4.419 32 HA PHE 4 HA PHE 4 0.437 -7.634 1.712 33 1HB PHE 4 2HB PHE 4 -1.445 -5.787 3.121 34 2HB PHE 4 1HB PHE 4 -0.810 -5.268 1.558 35 HD1 PHE 4 1HD PHE 4 -0.812 -7.163 -0.310 36 HD2 PHE 4 2HD PHE 4 -3.369 -7.107 3.140 37 HE1 PHE 4 1HE PHE 4 -2.397 -8.677 -1.463 38 HE2 PHE 4 2HE PHE 4 -4.957 -8.622 1.982 39 1HZ PHE 4 HZ PHE 4 -4.470 -9.408 -0.318 40 QB PHE 4 QB PHE 4 -1.127 -5.527 2.340 41 QG PHE 4 QD PHE 4 -2.091 -7.135 1.415 42 QZ PHE 4 QE PHE 4 -3.677 -8.649 0.259 43 QZ PHE 4 QR PHE 4 -3.201 -8.195 0.606 44 H LYS 5 H LYS 5 2.099 -6.502 0.714 45 HA LYS 5 HA LYS 5 3.675 -4.636 2.439 46 1HB LYS 5 2HB LYS 5 4.382 -6.186 -0.080 47 2HB LYS 5 1HB LYS 5 5.511 -5.244 0.892 48 1HG LYS 5 2HG LYS 5 5.898 -7.196 1.980 49 2HG LYS 5 1HG LYS 5 4.371 -6.865 2.796 50 1HD LYS 5 2HD LYS 5 3.335 -8.588 1.764 51 2HD LYS 5 1HD LYS 5 3.951 -8.110 0.183 52 1HE LYS 5 2HE LYS 5 6.228 -9.081 1.421 53 2HE LYS 5 1HE LYS 5 4.962 -10.169 2.022 54 1HZ LYS 5 2HZ LYS 5 5.297 -9.393 -0.826 55 2HZ LYS 5 1HZ LYS 5 5.859 -10.853 -0.164 56 3HZ LYS 5 3HZ LYS 5 4.194 -10.527 -0.206 57 QB LYS 5 QB LYS 5 4.947 -5.715 0.406 58 QG LYS 5 QG LYS 5 5.134 -7.031 2.388 59 QD LYS 5 QD LYS 5 3.643 -8.349 0.973 60 QE LYS 5 QE LYS 5 5.595 -9.625 1.721 61 QZ LYS 5 QZ LYS 5 5.116 -10.258 -0.399 62 H LEU 6 H LEU 6 5.074 -3.199 0.627 63 HA LEU 6 HA LEU 6 3.415 -2.129 -1.534 64 1HB LEU 6 2HB LEU 6 2.296 -1.195 0.435 65 2HB LEU 6 1HB LEU 6 3.835 -0.617 1.069 66 HG LEU 6 HG LEU 6 3.840 0.559 -1.399 67 1HD1 LEU 6 2HD1 LEU 6 1.055 -0.147 -0.746 68 2HD1 LEU 6 1HD1 LEU 6 1.301 1.554 -1.135 69 3HD1 LEU 6 3HD1 LEU 6 1.773 0.312 -2.292 70 1HD2 LEU 6 1HD2 LEU 6 4.069 1.477 1.038 71 2HD2 LEU 6 3HD2 LEU 6 3.529 2.574 -0.232 72 3HD2 LEU 6 2HD2 LEU 6 2.356 1.863 0.873 73 QB LEU 6 QB LEU 6 3.065 -0.906 0.752 74 QD1 LEU 6 QD1 LEU 6 1.376 0.573 -1.391 75 QD2 LEU 6 QD2 LEU 6 3.318 1.971 0.560 76 QQD LEU 6 QQD LEU 6 2.347 1.272 -0.416 77 H ILE 7 H ILE 7 5.123 -2.001 -2.979 78 HA ILE 7 HA ILE 7 7.788 -1.084 -2.114 79 HB ILE 7 HB ILE 7 6.597 -1.828 -4.814 80 1HG1 ILE 7 2HG1 ILE 7 8.526 -3.461 -3.165 81 2HG1 ILE 7 1HG1 ILE 7 6.787 -3.574 -2.892 82 1HG2 ILE 7 2HG2 ILE 7 9.328 -0.984 -3.917 83 2HG2 ILE 7 1HG2 ILE 7 9.206 -2.222 -5.169 84 3HG2 ILE 7 3HG2 ILE 7 8.488 -0.631 -5.428 85 1HD1 ILE 7 2HD1 ILE 7 8.073 -3.936 -5.609 86 2HD1 ILE 7 1HD1 ILE 7 7.696 -5.275 -4.525 87 3HD1 ILE 7 3HD1 ILE 7 6.398 -4.269 -5.167 88 QG1 ILE 7 QG1 ILE 7 7.656 -3.518 -3.029 89 QG2 ILE 7 QG2 ILE 7 9.007 -1.279 -4.838 90 QD1 ILE 7 QD1 ILE 7 7.389 -4.493 -5.101 91 H ILE 8 H ILE 8 8.383 1.054 -2.239 92 HA ILE 8 HA ILE 8 6.422 2.943 -3.377 93 HB ILE 8 HB ILE 8 9.023 3.646 -2.037 94 1HG1 ILE 8 2HG1 ILE 8 7.813 1.969 -0.611 95 2HG1 ILE 8 1HG1 ILE 8 7.944 3.547 0.142 96 1HG2 ILE 8 2HG2 ILE 8 6.352 4.959 -2.488 97 2HG2 ILE 8 1HG2 ILE 8 7.437 5.525 -1.210 98 3HG2 ILE 8 3HG2 ILE 8 7.967 5.556 -2.893 99 1HD1 ILE 8 3HD1 ILE 8 5.546 3.781 -1.160 100 2HD1 ILE 8 2HD1 ILE 8 5.548 2.070 -0.751 101 3HD1 ILE 8 1HD1 ILE 8 5.717 3.282 0.519 102 QG1 ILE 8 QG1 ILE 8 7.879 2.758 -0.235 103 QG2 ILE 8 QG2 ILE 8 7.252 5.347 -2.197 104 QD1 ILE 8 QD1 ILE 8 5.604 3.044 -0.464 105 H ASN 9 H ASN 9 6.674 3.431 -5.530 106 HA ASN 9 HA ASN 9 9.395 3.333 -6.743 107 1HB ASN 9 2HB ASN 9 7.480 2.091 -7.735 108 2HB ASN 9 1HB ASN 9 6.624 3.616 -7.948 109 1HD2 ASN 9 1HD2 ASN 9 7.115 4.844 -9.811 110 2HD2 ASN 9 2HD2 ASN 9 8.353 4.452 -10.904 111 QB ASN 9 QB ASN 9 7.052 2.853 -7.841 112 QD2 ASN 9 QD2 ASN 9 7.734 4.648 -10.358 113 H GLY 10 H GLY 10 8.836 5.535 -4.978 114 1HA GLY 10 2HA GLY 10 8.881 7.789 -6.942 115 2HA GLY 10 1HA GLY 10 7.957 7.921 -5.445 116 QA GLY 10 QA GLY 10 8.419 7.855 -6.194 117 H LYS 11 H LYS 11 9.259 9.693 -4.701 118 HA LYS 11 HA LYS 11 12.085 8.968 -4.003 119 1HB LYS 11 2HB LYS 11 12.446 11.431 -4.038 120 2HB LYS 11 1HB LYS 11 11.840 10.834 -5.581 121 1HG LYS 11 2HG LYS 11 9.618 11.615 -5.107 122 2HG LYS 11 1HG LYS 11 10.033 11.963 -3.430 123 1HD LYS 11 2HD LYS 11 11.644 13.295 -5.562 124 2HD LYS 11 1HD LYS 11 10.009 13.889 -5.271 125 1HE LYS 11 2HE LYS 11 10.490 14.459 -3.016 126 2HE LYS 11 1HE LYS 11 11.964 13.469 -2.998 127 1HZ LYS 11 3HZ LYS 11 12.892 14.901 -4.722 128 2HZ LYS 11 2HZ LYS 11 11.498 15.870 -4.690 129 3HZ LYS 11 1HZ LYS 11 12.516 15.798 -3.332 130 QB LYS 11 QB LYS 11 12.143 11.132 -4.809 131 QG LYS 11 QG LYS 11 9.825 11.789 -4.268 132 QD LYS 11 QD LYS 11 10.826 13.592 -5.416 133 QE LYS 11 QE LYS 11 11.227 13.964 -3.007 134 QZ LYS 11 QZ LYS 11 12.302 15.523 -4.248 135 H THR 12 H THR 12 9.011 10.182 -2.782 136 HA THR 12 HA THR 12 10.046 10.859 -0.127 137 HB THR 12 HB THR 12 7.495 10.981 0.277 138 HG1 THR 12 1HG THR 12 6.357 11.043 -1.758 139 1HG2 THR 12 2HG2 THR 12 9.045 12.889 -0.383 140 2HG2 THR 12 1HG2 THR 12 8.527 12.617 -2.047 141 3HG2 THR 12 3HG2 THR 12 7.350 13.099 -0.825 142 QG2 THR 12 QG2 THR 12 8.307 12.868 -1.085 143 H LEU 13 H LEU 13 10.694 9.251 1.203 144 HA LEU 13 HA LEU 13 10.701 7.260 2.422 145 1HB LEU 13 2HB LEU 13 8.667 6.971 3.406 146 2HB LEU 13 1HB LEU 13 8.117 8.269 2.361 147 HG LEU 13 HG LEU 13 7.667 6.345 0.647 148 1HD1 LEU 13 2HD1 LEU 13 7.862 4.897 3.296 149 2HD1 LEU 13 1HD1 LEU 13 6.931 4.262 1.937 150 3HD1 LEU 13 3HD1 LEU 13 8.673 4.492 1.784 151 1HD2 LEU 13 1HD2 LEU 13 6.037 7.813 2.042 152 2HD2 LEU 13 3HD2 LEU 13 5.417 6.311 1.360 153 3HD2 LEU 13 2HD2 LEU 13 5.866 6.387 3.062 154 QB LEU 13 QB LEU 13 8.392 7.620 2.884 155 QD1 LEU 13 QD1 LEU 13 7.822 4.551 2.339 156 QD2 LEU 13 QD2 LEU 13 5.773 6.837 2.155 157 QQD LEU 13 QQD LEU 13 6.798 5.694 2.247 158 H LYS 14 H LYS 14 11.144 5.059 1.984 159 HA LYS 14 HA LYS 14 10.285 3.914 -0.572 160 1HB LYS 14 2HB LYS 14 12.649 3.523 -1.245 161 2HB LYS 14 1HB LYS 14 12.272 5.240 -1.108 162 1HG LYS 14 2HG LYS 14 13.228 5.241 1.190 163 2HG LYS 14 1HG LYS 14 13.667 3.544 0.986 164 1HD LYS 14 2HD LYS 14 15.648 4.614 0.372 165 2HD LYS 14 1HD LYS 14 14.859 4.407 -1.192 166 1HE LYS 14 2HE LYS 14 15.450 6.678 -1.265 167 2HE LYS 14 1HE LYS 14 13.802 6.773 -0.614 168 1HZ LYS 14 1HZ LYS 14 16.271 6.573 1.028 169 2HZ LYS 14 3HZ LYS 14 15.408 8.007 0.757 170 3HZ LYS 14 2HZ LYS 14 14.684 6.731 1.614 171 QB LYS 14 QB LYS 14 12.460 4.381 -1.177 172 QG LYS 14 QG LYS 14 13.447 4.393 1.088 173 QD LYS 14 QD LYS 14 15.254 4.510 -0.410 174 QE LYS 14 QE LYS 14 14.626 6.726 -0.940 175 QZ LYS 14 QZ LYS 14 15.454 7.104 1.133 176 H GLY 15 H GLY 15 10.179 1.676 -0.507 177 1HA GLY 15 2HA GLY 15 11.597 -0.262 0.687 178 2HA GLY 15 1HA GLY 15 10.783 0.410 2.101 179 QA GLY 15 QA GLY 15 11.190 0.074 1.394 180 H GLU 16 H GLU 16 9.821 -1.803 2.211 181 HA GLU 16 HA GLU 16 7.596 -2.226 0.252 182 1HB GLU 16 2HB GLU 16 9.303 -3.960 2.017 183 2HB GLU 16 1HB GLU 16 7.724 -4.547 1.494 184 1HG GLU 16 2HG GLU 16 9.243 -5.316 -0.168 185 2HG GLU 16 1HG GLU 16 8.452 -3.912 -0.884 186 QB GLU 16 QB GLU 16 8.514 -4.254 1.756 187 QG GLU 16 QG GLU 16 8.848 -4.614 -0.526 188 H ILE 17 H ILE 17 8.357 -2.236 3.747 189 HA ILE 17 HA ILE 17 6.959 -1.991 5.637 190 HB ILE 17 HB ILE 17 5.347 -0.473 3.553 191 1HG1 ILE 17 2HG1 ILE 17 6.658 1.427 4.931 192 2HG1 ILE 17 1HG1 ILE 17 7.826 0.116 5.106 193 1HG2 ILE 17 2HG2 ILE 17 4.375 -1.091 5.939 194 2HG2 ILE 17 1HG2 ILE 17 5.444 0.205 6.474 195 3HG2 ILE 17 3HG2 ILE 17 4.178 0.538 5.294 196 1HD1 ILE 17 3HD1 ILE 17 6.687 0.546 2.388 197 2HD1 ILE 17 2HD1 ILE 17 7.825 1.759 2.977 198 3HD1 ILE 17 1HD1 ILE 17 8.317 0.069 2.862 199 QG1 ILE 17 QG1 ILE 17 7.242 0.772 5.018 200 QG2 ILE 17 QG2 ILE 17 4.666 -0.116 5.903 201 QD1 ILE 17 QD1 ILE 17 7.610 0.791 2.742 202 H THR 18 H THR 18 6.273 -4.163 5.931 203 HA THR 18 HA THR 18 3.948 -5.188 4.417 204 HB THR 18 HB THR 18 4.489 -7.254 5.672 205 HG1 THR 18 1HG THR 18 6.061 -7.218 7.220 206 1HG2 THR 18 2HG2 THR 18 6.066 -6.027 3.755 207 2HG2 THR 18 1HG2 THR 18 7.228 -6.442 5.016 208 3HG2 THR 18 3HG2 THR 18 6.224 -7.699 4.293 209 QG2 THR 18 QG2 THR 18 6.506 -6.723 4.355 210 H ILE 19 H ILE 19 1.877 -5.159 5.220 211 HA ILE 19 HA ILE 19 1.458 -4.832 8.156 212 HB ILE 19 HB ILE 19 -0.131 -2.979 7.696 213 1HG1 ILE 19 2HG1 ILE 19 0.477 -2.029 5.202 214 2HG1 ILE 19 1HG1 ILE 19 0.497 -3.766 4.909 215 1HG2 ILE 19 2HG2 ILE 19 2.441 -2.723 8.055 216 2HG2 ILE 19 1HG2 ILE 19 2.467 -2.275 6.350 217 3HG2 ILE 19 3HG2 ILE 19 1.521 -1.327 7.496 218 1HD1 ILE 19 3HD1 ILE 19 -1.757 -3.704 6.294 219 2HD1 ILE 19 2HD1 ILE 19 -1.774 -2.015 5.784 220 3HD1 ILE 19 1HD1 ILE 19 -1.756 -3.301 4.577 221 QG1 ILE 19 QG1 ILE 19 0.487 -2.897 5.055 222 QG2 ILE 19 QG2 ILE 19 2.143 -2.108 7.300 223 QD1 ILE 19 QD1 ILE 19 -1.762 -3.006 5.552 224 H GLU 20 H GLU 20 -0.148 -6.174 8.844 225 HA GLU 20 HA GLU 20 -1.579 -7.898 7.005 226 1HB GLU 20 2HB GLU 20 -1.857 -7.303 9.969 227 2HB GLU 20 1HB GLU 20 -2.666 -8.638 9.145 228 1HG GLU 20 2HG GLU 20 -0.543 -9.630 8.534 229 2HG GLU 20 1HG GLU 20 0.337 -8.231 9.150 230 QB GLU 20 QB GLU 20 -2.261 -7.971 9.557 231 QG GLU 20 QG GLU 20 -0.103 -8.931 8.842 232 H ALA 21 H ALA 21 -3.926 -7.982 6.768 233 HA ALA 21 HA ALA 21 -5.622 -5.791 7.677 234 1HB ALA 21 1HB ALA 21 -4.230 -4.695 5.947 235 2HB ALA 21 3HB ALA 21 -4.719 -5.922 4.779 236 3HB ALA 21 2HB ALA 21 -5.912 -4.795 5.428 237 QB ALA 21 QB ALA 21 -4.954 -5.137 5.385 238 H VAL 22 H VAL 22 -7.854 -6.062 6.835 239 HA VAL 22 HA VAL 22 -8.817 -8.699 6.800 240 HB VAL 22 HB VAL 22 -10.150 -6.675 7.237 241 1HG1 VAL 22 3HG1 VAL 22 -8.919 -5.543 5.141 242 2HG1 VAL 22 2HG1 VAL 22 -10.386 -6.077 4.322 243 3HG1 VAL 22 1HG1 VAL 22 -10.496 -4.989 5.704 244 1HG2 VAL 22 3HG2 VAL 22 -11.263 -8.782 6.431 245 2HG2 VAL 22 2HG2 VAL 22 -12.164 -7.318 6.039 246 3HG2 VAL 22 1HG2 VAL 22 -11.214 -8.126 4.794 247 QG1 VAL 22 QG1 VAL 22 -9.934 -5.536 5.055 248 QG2 VAL 22 QG2 VAL 22 -11.547 -8.075 5.755 249 QQG VAL 22 QQG VAL 22 -10.740 -6.806 5.405 250 H ASP 23 H ASP 23 -7.657 -6.703 4.149 251 HA ASP 23 HA ASP 23 -7.269 -8.971 2.388 252 1HB ASP 23 2HB ASP 23 -8.986 -8.248 0.709 253 2HB ASP 23 1HB ASP 23 -9.706 -8.785 2.223 254 QB ASP 23 QB ASP 23 -9.346 -8.516 1.466 255 H ALA 24 H ALA 24 -6.778 -7.972 0.037 256 HA ALA 24 HA ALA 24 -4.665 -6.053 0.365 257 1HB ALA 24 1HB ALA 24 -5.387 -7.866 -1.512 258 2HB ALA 24 3HB ALA 24 -5.970 -6.393 -2.288 259 3HB ALA 24 2HB ALA 24 -4.270 -6.542 -1.844 260 QB ALA 24 QB ALA 24 -5.209 -6.933 -1.881 261 H ALA 25 H ALA 25 -8.082 -5.762 -0.452 262 HA ALA 25 HA ALA 25 -8.173 -3.146 -1.510 263 1HB ALA 25 1HB ALA 25 -9.947 -5.113 -0.912 264 2HB ALA 25 3HB ALA 25 -10.296 -3.980 0.395 265 3HB ALA 25 2HB ALA 25 -10.441 -3.461 -1.285 266 QB ALA 25 QB ALA 25 -10.228 -4.185 -0.601 267 H GLU 26 H GLU 26 -8.264 -4.254 1.872 268 HA GLU 26 HA GLU 26 -8.463 -1.604 3.036 269 1HB GLU 26 2HB GLU 26 -9.121 -3.768 4.116 270 2HB GLU 26 1HB GLU 26 -7.417 -4.218 4.183 271 1HG GLU 26 2HG GLU 26 -7.776 -3.296 6.308 272 2HG GLU 26 1HG GLU 26 -7.117 -1.930 5.407 273 QB GLU 26 QB GLU 26 -8.269 -3.993 4.149 274 QG GLU 26 QG GLU 26 -7.447 -2.613 5.858 275 H ALA 27 H ALA 27 -5.764 -3.879 2.466 276 HA ALA 27 HA ALA 27 -3.637 -2.389 3.606 277 1HB ALA 27 1HB ALA 27 -4.024 -4.475 1.542 278 2HB ALA 27 3HB ALA 27 -2.528 -3.551 1.375 279 3HB ALA 27 2HB ALA 27 -2.872 -4.419 2.875 280 QB ALA 27 QB ALA 27 -3.142 -4.148 1.931 281 H GLU 28 H GLU 28 -5.069 -2.195 0.349 282 HA GLU 28 HA GLU 28 -3.305 -0.249 -0.755 283 1HB GLU 28 2HB GLU 28 -5.193 -1.737 -1.785 284 2HB GLU 28 1HB GLU 28 -6.250 -0.387 -1.374 285 1HG GLU 28 2HG GLU 28 -4.519 1.100 -2.583 286 2HG GLU 28 1HG GLU 28 -3.887 -0.402 -3.263 287 QB GLU 28 QB GLU 28 -5.722 -1.062 -1.580 288 QG GLU 28 QG GLU 28 -4.203 0.349 -2.923 289 H LYS 29 H LYS 29 -6.339 0.155 1.142 290 HA LYS 29 HA LYS 29 -6.253 3.055 0.923 291 1HB LYS 29 2HB LYS 29 -8.258 2.969 2.118 292 2HB LYS 29 1HB LYS 29 -8.233 1.404 1.329 293 1HG LYS 29 2HG LYS 29 -8.496 0.439 3.340 294 2HG LYS 29 1HG LYS 29 -6.920 1.034 3.816 295 1HD LYS 29 2HD LYS 29 -9.520 2.556 4.090 296 2HD LYS 29 1HD LYS 29 -8.652 1.767 5.406 297 1HE LYS 29 2HE LYS 29 -7.264 3.835 3.692 298 2HE LYS 29 1HE LYS 29 -8.261 4.320 5.078 299 1HZ LYS 29 1HZ LYS 29 -6.212 2.189 5.285 300 2HZ LYS 29 3HZ LYS 29 -5.839 3.819 5.568 301 3HZ LYS 29 2HZ LYS 29 -6.985 3.030 6.542 302 QB LYS 29 QB LYS 29 -8.246 2.187 1.724 303 QG LYS 29 QG LYS 29 -7.708 0.736 3.578 304 QD LYS 29 QD LYS 29 -9.086 2.161 4.748 305 QE LYS 29 QE LYS 29 -7.763 4.077 4.385 306 QZ LYS 29 QZ LYS 29 -6.345 3.013 5.798 307 H ILE 30 H ILE 30 -5.039 0.689 3.271 308 HA ILE 30 HA ILE 30 -4.241 2.607 5.294 309 HB ILE 30 HB ILE 30 -3.171 -0.146 4.551 310 1HG1 ILE 30 2HG1 ILE 30 -5.087 0.479 6.792 311 2HG1 ILE 30 1HG1 ILE 30 -5.685 0.201 5.156 312 1HG2 ILE 30 1HG2 ILE 30 -1.647 1.156 6.015 313 2HG2 ILE 30 3HG2 ILE 30 -2.974 1.413 7.149 314 3HG2 ILE 30 2HG2 ILE 30 -2.355 -0.215 6.871 315 1HD1 ILE 30 1HD1 ILE 30 -3.707 -1.767 6.189 316 2HD1 ILE 30 3HD1 ILE 30 -5.310 -1.803 6.925 317 3HD1 ILE 30 2HD1 ILE 30 -5.134 -2.025 5.185 318 QG1 ILE 30 QG1 ILE 30 -5.386 0.340 5.974 319 QG2 ILE 30 QG2 ILE 30 -2.325 0.785 6.678 320 QD1 ILE 30 QD1 ILE 30 -4.717 -1.865 6.100 321 H PHE 31 H PHE 31 -2.713 1.102 2.489 322 HA PHE 31 HA PHE 31 -0.133 2.411 2.799 323 1HB PHE 31 2HB PHE 31 -1.609 0.842 0.682 324 2HB PHE 31 1HB PHE 31 -0.077 1.615 0.292 325 HD1 PHE 31 1HD PHE 31 1.574 1.319 2.616 326 HD2 PHE 31 2HD PHE 31 -1.288 -1.446 0.993 327 HE1 PHE 31 1HE PHE 31 2.802 -0.566 3.660 328 HE2 PHE 31 2HE PHE 31 -0.061 -3.328 2.039 329 1HZ PHE 31 HZ PHE 31 1.984 -2.889 3.371 330 QB PHE 31 QB PHE 31 -0.843 1.228 0.487 331 QG PHE 31 QD PHE 31 0.143 -0.063 1.804 332 QZ PHE 31 QE PHE 31 1.371 -1.947 2.849 333 QZ PHE 31 QR PHE 31 1.002 -1.382 2.536 334 H LYS 32 H LYS 32 -3.109 3.045 0.952 335 HA LYS 32 HA LYS 32 -2.090 5.308 -0.504 336 1HB LYS 32 2HB LYS 32 -4.791 4.127 0.074 337 2HB LYS 32 1HB LYS 32 -4.643 5.643 -0.810 338 1HG LYS 32 2HG LYS 32 -2.859 3.459 -1.728 339 2HG LYS 32 1HG LYS 32 -4.583 3.207 -2.012 340 1HD LYS 32 2HD LYS 32 -3.123 5.747 -2.781 341 2HD LYS 32 1HD LYS 32 -3.384 4.402 -3.890 342 1HE LYS 32 2HE LYS 32 -5.577 4.942 -4.201 343 2HE LYS 32 1HE LYS 32 -5.828 5.276 -2.476 344 1HZ LYS 32 1HZ LYS 32 -4.369 7.033 -4.381 345 2HZ LYS 32 3HZ LYS 32 -5.932 7.317 -3.790 346 3HZ LYS 32 2HZ LYS 32 -4.607 7.344 -2.727 347 QB LYS 32 QB LYS 32 -4.717 4.885 -0.368 348 QG LYS 32 QG LYS 32 -3.721 3.333 -1.870 349 QD LYS 32 QD LYS 32 -3.253 5.074 -3.336 350 QE LYS 32 QE LYS 32 -5.702 5.109 -3.339 351 QZ LYS 32 QZ LYS 32 -4.969 7.231 -3.632 352 H GLN 33 H GLN 33 -2.821 4.992 2.789 353 HA GLN 33 HA GLN 33 -3.603 7.895 3.033 354 1HB GLN 33 2HB GLN 33 -4.075 5.376 4.555 355 2HB GLN 33 1HB GLN 33 -3.826 6.831 5.516 356 1HG GLN 33 2HG GLN 33 -5.726 6.911 3.196 357 2HG GLN 33 1HG GLN 33 -6.254 6.211 4.726 358 1HE2 GLN 33 2HE2 GLN 33 -7.043 9.458 5.845 359 2HE2 GLN 33 1HE2 GLN 33 -7.566 7.863 5.596 360 QB GLN 33 QB GLN 33 -3.951 6.104 5.036 361 QG GLN 33 QG GLN 33 -5.990 6.561 3.961 362 QE2 GLN 33 QE2 GLN 33 -7.304 8.661 5.721 363 H TYR 34 H TYR 34 -1.586 5.310 4.193 364 HA TYR 34 HA TYR 34 0.323 6.570 5.824 365 1HB TYR 34 2HB TYR 34 0.237 4.224 5.662 366 2HB TYR 34 1HB TYR 34 0.081 4.262 3.901 367 HD1 TYR 34 2HD TYR 34 2.430 4.497 6.769 368 HD2 TYR 34 1HD TYR 34 2.070 4.361 2.492 369 HE1 TYR 34 2HE TYR 34 4.870 4.101 6.577 370 HE2 TYR 34 1HE TYR 34 4.511 3.964 2.299 371 HH TYR 34 HH TYR 34 6.648 4.346 4.962 372 QB TYR 34 QB TYR 34 0.159 4.243 4.782 373 QG TYR 34 QD TYR 34 2.250 4.429 4.631 374 QZ TYR 34 QE TYR 34 4.690 4.032 4.438 375 QR TYR 34 QR TYR 34 3.470 4.231 4.534 376 H ALA 35 H ALA 35 -0.054 6.528 2.313 377 HA ALA 35 HA ALA 35 2.552 7.675 1.638 378 1HB ALA 35 2HB ALA 35 -0.047 7.006 0.295 379 2HB ALA 35 1HB ALA 35 1.078 8.084 -0.537 380 3HB ALA 35 3HB ALA 35 1.583 6.453 -0.089 381 QB ALA 35 QB ALA 35 0.871 7.181 -0.111 382 H ASN 36 H ASN 36 -0.800 8.939 1.682 383 HA ASN 36 HA ASN 36 -0.254 11.627 0.967 384 1HB ASN 36 2HB ASN 36 -2.359 10.171 2.524 385 2HB ASN 36 1HB ASN 36 -2.403 11.933 2.460 386 1HD2 ASN 36 2HD2 ASN 36 -3.007 9.822 -1.021 387 2HD2 ASN 36 1HD2 ASN 36 -2.184 9.080 0.265 388 QB ASN 36 QB ASN 36 -2.381 11.052 2.492 389 QD2 ASN 36 QD2 ASN 36 -2.596 9.451 -0.378 390 H ASP 37 H ASP 37 -0.480 10.182 4.232 391 HA ASP 37 HA ASP 37 -0.030 12.470 5.801 392 1HB ASP 37 2HB ASP 37 -0.350 9.799 6.203 393 2HB ASP 37 1HB ASP 37 1.355 9.981 6.615 394 QB ASP 37 QB ASP 37 0.503 9.890 6.409 395 H ASN 38 H ASN 38 2.227 10.719 3.834 396 HA ASN 38 HA ASN 38 4.522 12.180 4.969 397 1HB ASN 38 2HB ASN 38 4.098 9.704 3.328 398 2HB ASN 38 1HB ASN 38 5.684 10.477 3.344 399 1HD2 ASN 38 2HD2 ASN 38 4.889 8.038 6.324 400 2HD2 ASN 38 1HD2 ASN 38 4.235 7.957 4.759 401 QB ASN 38 QB ASN 38 4.891 10.091 3.336 402 QD2 ASN 38 QD2 ASN 38 4.562 7.998 5.542 403 H GLY 39 H GLY 39 2.559 11.872 2.080 404 1HA GLY 39 2HA GLY 39 2.428 13.811 0.550 405 2HA GLY 39 1HA GLY 39 4.154 14.066 0.820 406 QA GLY 39 QA GLY 39 3.291 13.938 0.685 407 H ILE 40 H ILE 40 2.636 10.929 0.276 408 HA ILE 40 HA ILE 40 4.393 10.520 -2.086 409 HB ILE 40 HB ILE 40 2.953 8.914 -0.019 410 1HG1 ILE 40 2HG1 ILE 40 5.151 7.724 -0.012 411 2HG1 ILE 40 1HG1 ILE 40 5.700 8.837 -1.264 412 1HG2 ILE 40 3HG2 ILE 40 2.227 7.891 -2.197 413 2HG2 ILE 40 2HG2 ILE 40 3.931 7.625 -2.574 414 3HG2 ILE 40 1HG2 ILE 40 3.194 6.825 -1.181 415 1HD1 ILE 40 1HD1 ILE 40 4.594 9.733 1.403 416 2HD1 ILE 40 3HD1 ILE 40 6.321 9.531 1.083 417 3HD1 ILE 40 2HD1 ILE 40 5.391 10.732 0.181 418 QG1 ILE 40 QG1 ILE 40 5.425 8.280 -0.638 419 QG2 ILE 40 QG2 ILE 40 3.117 7.447 -1.984 420 QD1 ILE 40 QD1 ILE 40 5.436 9.999 0.889 421 H ASP 41 H ASP 41 3.421 11.308 -3.907 422 HA ASP 41 HA ASP 41 0.636 10.380 -4.513 423 1HB ASP 41 2HB ASP 41 0.163 12.675 -5.349 424 2HB ASP 41 1HB ASP 41 0.564 12.668 -3.632 425 QB ASP 41 QB ASP 41 0.363 12.672 -4.491 426 H GLY 42 H GLY 42 0.875 9.129 -6.306 427 1HA GLY 42 2HA GLY 42 1.897 10.253 -8.774 428 2HA GLY 42 1HA GLY 42 2.962 8.998 -8.138 429 QA GLY 42 QA GLY 42 2.429 9.626 -8.456 430 H GLU 43 H GLU 43 2.456 6.913 -8.642 431 HA GLU 43 HA GLU 43 -0.282 6.374 -9.764 432 1HB GLU 43 2HB GLU 43 2.158 6.168 -10.962 433 2HB GLU 43 1HB GLU 43 1.980 4.537 -10.317 434 1HG GLU 43 2HG GLU 43 -0.133 4.244 -11.459 435 2HG GLU 43 1HG GLU 43 -0.143 5.933 -11.968 436 QB GLU 43 QB GLU 43 2.069 5.352 -10.639 437 QG GLU 43 QG GLU 43 -0.138 5.089 -11.713 438 H TRP 44 H TRP 44 -0.815 3.901 -9.530 439 HA TRP 44 HA TRP 44 0.223 2.646 -7.025 440 1HB TRP 44 2HB TRP 44 -2.493 3.869 -7.476 441 2HB TRP 44 1HB TRP 44 -2.359 2.426 -6.463 442 HD1 TRP 44 HD TRP 44 -1.298 6.095 -6.604 443 HE1 TRP 44 1HE TRP 44 -0.489 6.791 -4.257 444 HE3 TRP 44 3HE TRP 44 -1.383 1.559 -4.299 445 HZ2 TRP 44 2HZ TRP 44 0.057 5.569 -1.728 446 HZ3 TRP 44 3HZ TRP 44 -0.711 1.347 -1.917 447 HH2 TRP 44 HH TRP 44 0.013 3.348 -0.640 448 QB TRP 44 QB TRP 44 -2.426 3.148 -6.969 449 H THR 45 H THR 45 0.313 0.470 -7.352 450 HA THR 45 HA THR 45 -1.672 -0.816 -9.172 451 HB THR 45 HB THR 45 0.002 -1.819 -10.524 452 HG1 THR 45 1HG THR 45 1.768 -2.414 -9.614 453 1HG2 THR 45 1HG2 THR 45 -0.279 0.587 -11.004 454 2HG2 THR 45 3HG2 THR 45 1.032 0.953 -9.883 455 3HG2 THR 45 2HG2 THR 45 1.361 0.043 -11.360 456 QG2 THR 45 QG2 THR 45 0.705 0.528 -10.749 457 H TYR 46 H TYR 46 -2.347 -2.732 -8.331 458 HA TYR 46 HA TYR 46 -1.029 -3.701 -5.852 459 1HB TYR 46 2HB TYR 46 -3.397 -3.329 -5.716 460 2HB TYR 46 1HB TYR 46 -3.689 -4.226 -7.210 461 HD1 TYR 46 2HD TYR 46 -1.795 -4.847 -4.025 462 HD2 TYR 46 1HD TYR 46 -4.664 -6.321 -6.861 463 HE1 TYR 46 2HE TYR 46 -1.985 -6.954 -2.736 464 HE2 TYR 46 1HE TYR 46 -4.847 -8.433 -5.575 465 HH TYR 46 HH TYR 46 -2.674 -9.425 -3.346 466 QB TYR 46 QB TYR 46 -3.543 -3.777 -6.463 467 QG TYR 46 QD TYR 46 -3.229 -5.584 -5.443 468 QZ TYR 46 QE TYR 46 -3.416 -7.693 -4.156 469 QR TYR 46 QR TYR 46 -3.323 -6.639 -4.799 470 H ASP 47 H ASP 47 -0.193 -5.795 -5.676 471 HA ASP 47 HA ASP 47 0.094 -7.330 -8.239 472 1HB ASP 47 2HB ASP 47 2.115 -6.166 -7.167 473 2HB ASP 47 1HB ASP 47 1.961 -7.333 -5.853 474 QB ASP 47 QB ASP 47 2.038 -6.749 -6.510 475 H ASP 48 H ASP 48 -1.627 -8.781 -7.927 476 HA ASP 48 HA ASP 48 -2.254 -10.056 -5.412 477 1HB ASP 48 2HB ASP 48 -3.721 -9.648 -7.455 478 2HB ASP 48 1HB ASP 48 -2.900 -11.015 -8.207 479 QB ASP 48 QB ASP 48 -3.311 -10.331 -7.831 480 H ALA 49 H ALA 49 0.380 -10.574 -7.466 481 HA ALA 49 HA ALA 49 0.547 -13.493 -7.025 482 1HB ALA 49 1HB ALA 49 2.186 -11.418 -8.507 483 2HB ALA 49 3HB ALA 49 2.658 -13.114 -8.408 484 3HB ALA 49 2HB ALA 49 1.151 -12.663 -9.204 485 QB ALA 49 QB ALA 49 1.998 -12.398 -8.706 486 H THR 50 H THR 50 1.868 -10.463 -5.819 487 HA THR 50 HA THR 50 3.564 -12.020 -3.896 488 HB THR 50 HB THR 50 5.129 -10.090 -4.042 489 HG1 THR 50 1HG THR 50 4.616 -8.375 -5.171 490 1HG2 THR 50 1HG2 THR 50 4.972 -12.149 -5.726 491 2HG2 THR 50 3HG2 THR 50 4.636 -10.863 -6.884 492 3HG2 THR 50 2HG2 THR 50 6.144 -10.854 -5.969 493 QG2 THR 50 QG2 THR 50 5.251 -11.289 -6.193 494 H LYS 51 H LYS 51 0.769 -10.307 -4.092 495 HA LYS 51 HA LYS 51 -0.499 -9.034 -2.560 496 1HB LYS 51 2HB LYS 51 1.542 -10.262 -0.672 497 2HB LYS 51 1HB LYS 51 -0.017 -9.589 -0.198 498 1HG LYS 51 2HG LYS 51 -0.124 -11.629 -2.345 499 2HG LYS 51 1HG LYS 51 0.379 -12.225 -0.764 500 1HD LYS 51 2HD LYS 51 -1.630 -11.167 0.249 501 2HD LYS 51 1HD LYS 51 -2.146 -10.653 -1.357 502 1HE LYS 51 2HE LYS 51 -3.203 -12.654 -1.546 503 2HE LYS 51 1HE LYS 51 -1.602 -13.415 -1.610 504 1HZ LYS 51 1HZ LYS 51 -1.557 -13.379 0.827 505 2HZ LYS 51 3HZ LYS 51 -3.130 -12.745 0.851 506 3HZ LYS 51 2HZ LYS 51 -2.853 -14.306 0.240 507 QB LYS 51 QB LYS 51 0.763 -9.925 -0.435 508 QG LYS 51 QG LYS 51 0.128 -11.927 -1.555 509 QD LYS 51 QD LYS 51 -1.888 -10.910 -0.554 510 QE LYS 51 QE LYS 51 -2.403 -13.034 -1.578 511 QZ LYS 51 QZ LYS 51 -2.514 -13.477 0.639 512 H THR 52 H THR 52 1.665 -7.666 -3.908 513 HA THR 52 HA THR 52 2.360 -5.630 -1.805 514 HB THR 52 HB THR 52 4.071 -6.528 -4.142 515 HG1 THR 52 1HG THR 52 5.252 -7.612 -2.485 516 1HG2 THR 52 3HG2 THR 52 4.271 -4.447 -2.067 517 2HG2 THR 52 2HG2 THR 52 5.705 -5.463 -2.205 518 3HG2 THR 52 1HG2 THR 52 5.111 -4.583 -3.612 519 QG2 THR 52 QG2 THR 52 5.029 -4.831 -2.628 520 H PHE 53 H PHE 53 1.848 -3.542 -2.383 521 HA PHE 53 HA PHE 53 0.602 -3.077 -5.016 522 1HB PHE 53 2HB PHE 53 0.948 -1.477 -2.470 523 2HB PHE 53 1HB PHE 53 0.128 -0.835 -3.893 524 HD1 PHE 53 2HD PHE 53 0.084 -3.681 -1.465 525 HD2 PHE 53 1HD PHE 53 -2.154 -1.361 -4.315 526 HE1 PHE 53 2HE PHE 53 -2.005 -4.842 -0.778 527 HE2 PHE 53 1HE PHE 53 -4.227 -2.526 -3.627 528 1HZ PHE 53 HZ PHE 53 -4.154 -4.266 -1.865 529 QB PHE 53 QB PHE 53 0.538 -1.156 -3.182 530 QG PHE 53 QD PHE 53 -1.035 -2.521 -2.890 531 QZ PHE 53 QE PHE 53 -3.116 -3.684 -2.203 532 QZ PHE 53 QR PHE 53 -2.491 -3.335 -2.410 533 H THR 54 H THR 54 1.290 -0.384 -5.542 534 HA THR 54 HA THR 54 4.227 -0.130 -5.493 535 HB THR 54 HB THR 54 2.888 -0.116 -8.184 536 HG1 THR 54 1HG THR 54 3.918 -2.433 -6.916 537 1HG2 THR 54 3HG2 THR 54 5.657 -0.803 -7.170 538 2HG2 THR 54 2HG2 THR 54 5.165 -0.890 -8.863 539 3HG2 THR 54 1HG2 THR 54 5.182 0.664 -8.027 540 QG2 THR 54 QG2 THR 54 5.335 -0.343 -8.020 541 H VAL 55 H VAL 55 3.761 1.814 -4.431 542 HA VAL 55 HA VAL 55 1.997 3.761 -5.771 543 HB VAL 55 HB VAL 55 1.630 3.490 -3.432 544 1HG1 VAL 55 1HG1 VAL 55 4.623 3.862 -3.136 545 2HG1 VAL 55 3HG1 VAL 55 3.500 4.009 -1.783 546 3HG1 VAL 55 2HG1 VAL 55 3.634 2.478 -2.646 547 1HG2 VAL 55 2HG2 VAL 55 1.609 5.834 -4.303 548 2HG2 VAL 55 1HG2 VAL 55 1.973 5.733 -2.580 549 3HG2 VAL 55 3HG2 VAL 55 3.269 6.017 -3.741 550 QG1 VAL 55 QG1 VAL 55 3.919 3.450 -2.522 551 QG2 VAL 55 QG2 VAL 55 2.284 5.861 -3.541 552 QQG VAL 55 QQG VAL 55 3.101 4.655 -3.032 553 H THR 56 H THR 56 3.023 4.680 -7.464 554 HA THR 56 HA THR 56 5.835 5.536 -7.338 555 HB THR 56 HB THR 56 3.563 5.433 -9.312 556 HG1 THR 56 1HG THR 56 5.235 4.380 -10.504 557 1HG2 THR 56 1HG2 THR 56 6.076 7.083 -9.691 558 2HG2 THR 56 3HG2 THR 56 5.014 6.583 -11.008 559 3HG2 THR 56 2HG2 THR 56 4.407 7.658 -9.747 560 QG2 THR 56 QG2 THR 56 5.166 7.108 -10.149 561 H GLU 57 H GLU 57 6.247 7.951 -7.926 562 HA GLU 57 HA GLU 57 4.159 9.750 -6.746 563 1HB GLU 57 2HB GLU 57 5.965 9.014 -5.121 564 2HB GLU 57 1HB GLU 57 7.134 9.840 -6.150 565 1HG GLU 57 2HG GLU 57 4.801 11.507 -5.496 566 2HG GLU 57 1HG GLU 57 5.716 11.010 -4.074 567 QB GLU 57 QB GLU 57 6.550 9.427 -5.636 568 QG GLU 57 QG GLU 57 5.259 11.258 -4.785 No H/Q in entry = 568 Start of MODEL 31 1 1H MET 1 1HT MET 1 0.428 -13.273 7.979 2 2H MET 1 3HT MET 1 -0.685 -12.418 8.930 3 3H MET 1 2HT MET 1 -0.185 -13.972 9.401 4 HA MET 1 HA MET 1 -1.332 -14.995 7.596 5 1HB MET 1 2HB MET 1 -2.424 -13.756 9.754 6 2HB MET 1 1HB MET 1 -3.323 -12.967 8.457 7 1HG MET 1 2HG MET 1 -3.992 -15.148 7.559 8 2HG MET 1 1HG MET 1 -3.045 -15.968 8.800 9 1HE MET 1 1HE MET 1 -4.125 -17.187 9.975 10 2HE MET 1 3HE MET 1 -5.338 -16.828 11.213 11 3HE MET 1 2HE MET 1 -5.840 -17.235 9.574 12 QB MET 1 QB MET 1 -2.874 -13.362 9.105 13 QG MET 1 QG MET 1 -3.519 -15.558 8.179 14 QE MET 1 QE MET 1 -5.101 -17.083 10.254 15 H THR 2 H THR 2 -2.156 -11.501 7.516 16 HA THR 2 HA THR 2 -2.148 -11.666 4.517 17 HB THR 2 HB THR 2 -3.911 -10.006 6.348 18 HG1 THR 2 1HG THR 2 -5.106 -11.707 6.440 19 1HG2 THR 2 2HG2 THR 2 -3.556 -10.237 3.399 20 2HG2 THR 2 1HG2 THR 2 -5.205 -10.074 4.002 21 3HG2 THR 2 3HG2 THR 2 -4.005 -8.835 4.370 22 QG2 THR 2 QG2 THR 2 -4.255 -9.716 3.924 23 H THR 3 H THR 3 0.201 -10.946 5.882 24 HA THR 3 HA THR 3 0.449 -8.107 6.356 25 HB THR 3 HB THR 3 2.615 -10.044 5.505 26 HG1 THR 3 1HG THR 3 2.668 -10.721 7.618 27 1HG2 THR 3 1HG2 THR 3 2.830 -7.420 6.010 28 2HG2 THR 3 3HG2 THR 3 2.909 -8.016 7.669 29 3HG2 THR 3 2HG2 THR 3 4.086 -8.569 6.478 30 QG2 THR 3 QG2 THR 3 3.275 -8.001 6.719 31 H PHE 4 H PHE 4 -0.598 -7.198 4.431 32 HA PHE 4 HA PHE 4 0.379 -7.700 1.752 33 1HB PHE 4 2HB PHE 4 -1.430 -5.798 3.172 34 2HB PHE 4 1HB PHE 4 -0.839 -5.301 1.586 35 HD1 PHE 4 2HD PHE 4 -0.946 -7.160 -0.289 36 HD2 PHE 4 1HD PHE 4 -3.320 -7.166 3.288 37 HE1 PHE 4 2HE PHE 4 -2.574 -8.683 -1.375 38 HE2 PHE 4 1HE PHE 4 -4.950 -8.687 2.200 39 1HZ PHE 4 HZ PHE 4 -4.576 -9.447 -0.128 40 QB PHE 4 QB PHE 4 -1.135 -5.549 2.379 41 QG PHE 4 QD PHE 4 -2.133 -7.163 1.499 42 QZ PHE 4 QE PHE 4 -3.762 -8.685 0.413 43 QZ PHE 4 QR PHE 4 -3.273 -8.228 0.739 44 H LYS 5 H LYS 5 2.235 -6.924 0.850 45 HA LYS 5 HA LYS 5 3.866 -4.968 2.344 46 1HB LYS 5 2HB LYS 5 4.243 -6.716 -0.099 47 2HB LYS 5 1HB LYS 5 5.478 -5.578 0.443 48 1HG LYS 5 2HG LYS 5 5.270 -6.709 2.745 49 2HG LYS 5 1HG LYS 5 4.392 -7.988 1.904 50 1HD LYS 5 2HD LYS 5 6.508 -7.794 0.259 51 2HD LYS 5 1HD LYS 5 7.275 -7.252 1.753 52 1HE LYS 5 2HE LYS 5 5.683 -9.829 1.484 53 2HE LYS 5 1HE LYS 5 7.455 -9.728 1.471 54 1HZ LYS 5 3HZ LYS 5 7.281 -8.496 3.608 55 2HZ LYS 5 2HZ LYS 5 5.624 -8.865 3.645 56 3HZ LYS 5 1HZ LYS 5 6.775 -10.111 3.711 57 QB LYS 5 QB LYS 5 4.861 -6.147 0.172 58 QG LYS 5 QG LYS 5 4.831 -7.348 2.324 59 QD LYS 5 QD LYS 5 6.892 -7.523 1.006 60 QE LYS 5 QE LYS 5 6.569 -9.778 1.477 61 QZ LYS 5 QZ LYS 5 6.560 -9.157 3.655 62 H LEU 6 H LEU 6 5.050 -3.312 0.831 63 HA LEU 6 HA LEU 6 3.406 -2.271 -1.388 64 1HB LEU 6 2HB LEU 6 2.261 -1.414 0.596 65 2HB LEU 6 1HB LEU 6 3.784 -0.838 1.266 66 HG LEU 6 HG LEU 6 3.801 0.430 -1.154 67 1HD1 LEU 6 1HD1 LEU 6 1.018 -0.344 -0.578 68 2HD1 LEU 6 3HD1 LEU 6 1.242 1.374 -0.908 69 3HD1 LEU 6 2HD1 LEU 6 1.758 0.177 -2.092 70 1HD2 LEU 6 2HD2 LEU 6 3.669 1.140 1.515 71 2HD2 LEU 6 1HD2 LEU 6 3.800 2.273 0.170 72 3HD2 LEU 6 3HD2 LEU 6 2.219 1.892 0.851 73 QB LEU 6 QB LEU 6 3.022 -1.126 0.931 74 QD1 LEU 6 QD1 LEU 6 1.339 0.403 -1.192 75 QD2 LEU 6 QD2 LEU 6 3.229 1.769 0.845 76 QQD LEU 6 QQD LEU 6 2.284 1.086 -0.173 77 H ILE 7 H ILE 7 5.037 -1.948 -2.848 78 HA ILE 7 HA ILE 7 7.704 -1.008 -1.951 79 HB ILE 7 HB ILE 7 6.564 -1.791 -4.662 80 1HG1 ILE 7 2HG1 ILE 7 8.551 -3.417 -3.109 81 2HG1 ILE 7 1HG1 ILE 7 6.851 -3.500 -2.649 82 1HG2 ILE 7 1HG2 ILE 7 9.207 -0.774 -3.755 83 2HG2 ILE 7 3HG2 ILE 7 9.243 -2.142 -4.870 84 3HG2 ILE 7 2HG2 ILE 7 8.432 -0.646 -5.335 85 1HD1 ILE 7 2HD1 ILE 7 6.446 -3.844 -5.216 86 2HD1 ILE 7 1HD1 ILE 7 8.148 -4.306 -5.238 87 3HD1 ILE 7 3HD1 ILE 7 7.004 -5.206 -4.243 88 QG1 ILE 7 QG1 ILE 7 7.701 -3.458 -2.879 89 QG2 ILE 7 QG2 ILE 7 8.961 -1.188 -4.653 90 QD1 ILE 7 QD1 ILE 7 7.199 -4.452 -4.899 91 H ILE 8 H ILE 8 7.872 1.209 -1.719 92 HA ILE 8 HA ILE 8 6.046 2.951 -3.239 93 HB ILE 8 HB ILE 8 8.151 3.543 -1.121 94 1HG1 ILE 8 2HG1 ILE 8 6.112 4.068 0.272 95 2HG1 ILE 8 1HG1 ILE 8 5.117 3.417 -1.018 96 1HG2 ILE 8 3HG2 ILE 8 6.118 5.289 -2.538 97 2HG2 ILE 8 2HG2 ILE 8 6.895 5.761 -1.023 98 3HG2 ILE 8 1HG2 ILE 8 7.870 5.518 -2.475 99 1HD1 ILE 8 3HD1 ILE 8 7.325 1.750 0.122 100 2HD1 ILE 8 2HD1 ILE 8 5.788 1.876 0.981 101 3HD1 ILE 8 1HD1 ILE 8 5.832 1.245 -0.668 102 QG1 ILE 8 QG1 ILE 8 5.615 3.743 -0.373 103 QG2 ILE 8 QG2 ILE 8 6.961 5.523 -2.012 104 QD1 ILE 8 QD1 ILE 8 6.315 1.624 0.145 105 H ASN 9 H ASN 9 6.706 3.478 -5.306 106 HA ASN 9 HA ASN 9 9.598 3.544 -5.951 107 1HB ASN 9 2HB ASN 9 7.955 2.361 -7.383 108 2HB ASN 9 1HB ASN 9 7.100 3.879 -7.647 109 1HD2 ASN 9 2HD2 ASN 9 9.391 5.055 -10.074 110 2HD2 ASN 9 1HD2 ASN 9 8.011 5.398 -9.146 111 QB ASN 9 QB ASN 9 7.528 3.120 -7.515 112 QD2 ASN 9 QD2 ASN 9 8.701 5.226 -9.610 113 H GLY 10 H GLY 10 10.619 5.436 -6.791 114 1HA GLY 10 2HA GLY 10 10.270 7.799 -7.628 115 2HA GLY 10 1HA GLY 10 9.134 7.986 -6.290 116 QA GLY 10 QA GLY 10 9.702 7.892 -6.959 117 H LYS 11 H LYS 11 9.938 8.748 -4.387 118 HA LYS 11 HA LYS 11 12.673 8.218 -3.506 119 1HB LYS 11 2HB LYS 11 13.391 10.596 -3.686 120 2HB LYS 11 1HB LYS 11 13.034 9.901 -5.266 121 1HG LYS 11 2HG LYS 11 10.926 11.016 -5.393 122 2HG LYS 11 1HG LYS 11 10.972 11.450 -3.684 123 1HD LYS 11 2HD LYS 11 13.276 12.609 -4.513 124 2HD LYS 11 1HD LYS 11 12.330 12.724 -5.997 125 1HE LYS 11 2HE LYS 11 10.864 13.464 -3.527 126 2HE LYS 11 1HE LYS 11 12.173 14.567 -3.998 127 1HZ LYS 11 3HZ LYS 11 11.285 14.530 -6.276 128 2HZ LYS 11 2HZ LYS 11 9.975 13.586 -5.744 129 3HZ LYS 11 1HZ LYS 11 10.171 15.173 -5.170 130 QB LYS 11 QB LYS 11 13.213 10.249 -4.476 131 QG LYS 11 QG LYS 11 10.949 11.233 -4.539 132 QD LYS 11 QD LYS 11 12.803 12.667 -5.255 133 QE LYS 11 QE LYS 11 11.518 14.016 -3.762 134 QZ LYS 11 QZ LYS 11 10.477 14.430 -5.730 135 H THR 12 H THR 12 10.230 7.756 -2.220 136 HA THR 12 HA THR 12 10.502 9.496 0.158 137 HB THR 12 HB THR 12 7.725 9.109 -0.859 138 HG1 THR 12 1HG THR 12 8.195 10.049 -2.667 139 1HG2 THR 12 2HG2 THR 12 9.219 11.396 0.450 140 2HG2 THR 12 1HG2 THR 12 7.494 11.392 0.087 141 3HG2 THR 12 3HG2 THR 12 8.152 10.253 1.263 142 QG2 THR 12 QG2 THR 12 8.288 11.014 0.600 143 H LEU 13 H LEU 13 10.633 8.090 1.808 144 HA LEU 13 HA LEU 13 10.323 6.176 3.116 145 1HB LEU 13 2HB LEU 13 8.139 6.219 3.774 146 2HB LEU 13 1HB LEU 13 7.941 7.471 2.558 147 HG LEU 13 HG LEU 13 7.528 5.360 0.984 148 1HD1 LEU 13 3HD1 LEU 13 7.862 4.009 3.314 149 2HD1 LEU 13 2HD1 LEU 13 6.132 4.325 3.406 150 3HD1 LEU 13 1HD1 LEU 13 6.792 3.437 2.034 151 1HD2 LEU 13 3HD2 LEU 13 6.019 7.351 1.864 152 2HD2 LEU 13 2HD2 LEU 13 5.287 5.965 1.057 153 3HD2 LEU 13 1HD2 LEU 13 5.270 6.072 2.816 154 QB LEU 13 QB LEU 13 8.040 6.845 3.166 155 QD1 LEU 13 QD1 LEU 13 6.928 3.924 2.918 156 QD2 LEU 13 QD2 LEU 13 5.525 6.462 1.912 157 QQD LEU 13 QQD LEU 13 6.227 5.193 2.415 158 H LYS 14 H LYS 14 11.206 5.882 0.210 159 HA LYS 14 HA LYS 14 10.225 3.681 -1.164 160 1HB LYS 14 2HB LYS 14 13.098 4.473 -0.608 161 2HB LYS 14 1HB LYS 14 12.588 3.414 -1.923 162 1HG LYS 14 2HG LYS 14 10.930 5.486 -2.381 163 2HG LYS 14 1HG LYS 14 12.265 6.358 -1.627 164 1HD LYS 14 2HD LYS 14 12.600 4.418 -3.932 165 2HD LYS 14 1HD LYS 14 12.475 6.167 -4.125 166 1HE LYS 14 2HE LYS 14 14.517 6.547 -2.936 167 2HE LYS 14 1HE LYS 14 14.557 4.877 -2.336 168 1HZ LYS 14 1HZ LYS 14 14.600 4.149 -4.694 169 2HZ LYS 14 3HZ LYS 14 14.790 5.768 -5.160 170 3HZ LYS 14 2HZ LYS 14 15.989 5.008 -4.227 171 QB LYS 14 QB LYS 14 12.843 3.944 -1.265 172 QG LYS 14 QG LYS 14 11.597 5.922 -2.004 173 QD LYS 14 QD LYS 14 12.538 5.293 -4.029 174 QE LYS 14 QE LYS 14 14.537 5.712 -2.636 175 QZ LYS 14 QZ LYS 14 15.126 4.975 -4.694 176 H GLY 15 H GLY 15 9.592 1.769 -0.209 177 1HA GLY 15 2HA GLY 15 11.490 -0.118 0.759 178 2HA GLY 15 1HA GLY 15 10.701 0.628 2.149 179 QA GLY 15 QA GLY 15 11.096 0.255 1.454 180 H GLU 16 H GLU 16 9.860 -1.609 2.507 181 HA GLU 16 HA GLU 16 7.592 -2.324 0.684 182 1HB GLU 16 2HB GLU 16 9.267 -3.879 2.676 183 2HB GLU 16 1HB GLU 16 7.879 -4.562 1.828 184 1HG GLU 16 2HG GLU 16 8.925 -4.344 -0.290 185 2HG GLU 16 1HG GLU 16 10.154 -3.247 0.340 186 QB GLU 16 QB GLU 16 8.573 -4.221 2.252 187 QG GLU 16 QG GLU 16 9.540 -3.796 0.025 188 H ILE 17 H ILE 17 8.473 -1.697 4.055 189 HA ILE 17 HA ILE 17 7.163 -1.119 5.922 190 HB ILE 17 HB ILE 17 4.836 -1.004 3.978 191 1HG1 ILE 17 2HG1 ILE 17 6.715 0.311 3.057 192 2HG1 ILE 17 1HG1 ILE 17 5.441 1.378 3.640 193 1HG2 ILE 17 1HG2 ILE 17 5.440 0.114 6.700 194 2HG2 ILE 17 3HG2 ILE 17 4.300 0.937 5.637 195 3HG2 ILE 17 2HG2 ILE 17 3.994 -0.726 6.140 196 1HD1 ILE 17 3HD1 ILE 17 7.029 1.039 5.887 197 2HD1 ILE 17 2HD1 ILE 17 8.207 1.090 4.576 198 3HD1 ILE 17 1HD1 ILE 17 7.080 2.427 4.801 199 QG1 ILE 17 QG1 ILE 17 6.078 0.845 3.348 200 QG2 ILE 17 QG2 ILE 17 4.578 0.108 6.159 201 QD1 ILE 17 QD1 ILE 17 7.439 1.519 5.088 202 H THR 18 H THR 18 5.016 -3.117 3.842 203 HA THR 18 HA THR 18 3.907 -5.140 4.280 204 HB THR 18 HB THR 18 5.159 -6.788 5.341 205 HG1 THR 18 1HG THR 18 5.907 -4.759 7.146 206 1HG2 THR 18 2HG2 THR 18 6.596 -5.134 3.777 207 2HG2 THR 18 1HG2 THR 18 7.517 -4.982 5.272 208 3HG2 THR 18 3HG2 THR 18 7.286 -6.568 4.536 209 QG2 THR 18 QG2 THR 18 7.133 -5.561 4.528 210 H ILE 19 H ILE 19 1.914 -4.888 5.114 211 HA ILE 19 HA ILE 19 1.645 -4.556 8.067 212 HB ILE 19 HB ILE 19 -0.029 -2.764 7.698 213 1HG1 ILE 19 2HG1 ILE 19 0.315 -1.785 5.195 214 2HG1 ILE 19 1HG1 ILE 19 0.492 -3.509 4.864 215 1HG2 ILE 19 1HG2 ILE 19 2.528 -2.381 7.906 216 2HG2 ILE 19 3HG2 ILE 19 2.466 -2.007 6.185 217 3HG2 ILE 19 2HG2 ILE 19 1.537 -1.040 7.330 218 1HD1 ILE 19 1HD1 ILE 19 -1.682 -3.550 6.496 219 2HD1 ILE 19 3HD1 ILE 19 -1.904 -1.981 5.721 220 3HD1 ILE 19 2HD1 ILE 19 -1.790 -3.442 4.739 221 QG1 ILE 19 QG1 ILE 19 0.404 -2.647 5.029 222 QG2 ILE 19 QG2 ILE 19 2.177 -1.809 7.140 223 QD1 ILE 19 QD1 ILE 19 -1.792 -2.991 5.652 224 H GLU 20 H GLU 20 0.086 -5.897 8.866 225 HA GLU 20 HA GLU 20 -1.337 -7.740 7.142 226 1HB GLU 20 2HB GLU 20 -2.319 -8.467 9.316 227 2HB GLU 20 1HB GLU 20 -0.568 -8.297 9.406 228 1HG GLU 20 2HG GLU 20 -0.678 -6.523 10.841 229 2HG GLU 20 1HG GLU 20 -2.112 -5.852 10.065 230 QB GLU 20 QB GLU 20 -1.444 -8.382 9.361 231 QG GLU 20 QG GLU 20 -1.395 -6.188 10.453 232 H ALA 21 H ALA 21 -3.663 -7.890 6.883 233 HA ALA 21 HA ALA 21 -5.441 -5.764 7.790 234 1HB ALA 21 2HB ALA 21 -4.060 -4.663 6.023 235 2HB ALA 21 1HB ALA 21 -4.616 -5.876 4.871 236 3HB ALA 21 3HB ALA 21 -5.765 -4.745 5.585 237 QB ALA 21 QB ALA 21 -4.814 -5.094 5.493 238 H VAL 22 H VAL 22 -7.660 -6.113 6.962 239 HA VAL 22 HA VAL 22 -8.529 -8.783 6.941 240 HB VAL 22 HB VAL 22 -9.922 -6.808 7.406 241 1HG1 VAL 22 2HG1 VAL 22 -8.801 -5.517 5.439 242 2HG1 VAL 22 1HG1 VAL 22 -10.053 -6.263 4.446 243 3HG1 VAL 22 3HG1 VAL 22 -10.501 -5.207 5.786 244 1HG2 VAL 22 1HG2 VAL 22 -10.875 -9.024 6.468 245 2HG2 VAL 22 3HG2 VAL 22 -11.921 -7.605 6.423 246 3HG2 VAL 22 2HG2 VAL 22 -11.091 -8.136 4.960 247 QG1 VAL 22 QG1 VAL 22 -9.785 -5.662 5.224 248 QG2 VAL 22 QG2 VAL 22 -11.295 -8.255 5.950 249 QQG VAL 22 QQG VAL 22 -10.540 -6.959 5.587 250 H ASP 23 H ASP 23 -7.761 -6.660 4.192 251 HA ASP 23 HA ASP 23 -7.300 -8.994 2.453 252 1HB ASP 23 2HB ASP 23 -9.684 -7.173 2.308 253 2HB ASP 23 1HB ASP 23 -9.009 -7.803 0.805 254 QB ASP 23 QB ASP 23 -9.346 -7.488 1.557 255 H ALA 24 H ALA 24 -6.775 -8.025 0.116 256 HA ALA 24 HA ALA 24 -4.620 -6.151 0.421 257 1HB ALA 24 2HB ALA 24 -5.399 -7.958 -1.446 258 2HB ALA 24 1HB ALA 24 -5.943 -6.473 -2.228 259 3HB ALA 24 3HB ALA 24 -4.244 -6.666 -1.790 260 QB ALA 24 QB ALA 24 -5.195 -7.032 -1.821 261 H ALA 25 H ALA 25 -8.027 -5.802 -0.430 262 HA ALA 25 HA ALA 25 -8.064 -3.180 -1.478 263 1HB ALA 25 2HB ALA 25 -10.019 -4.725 0.249 264 2HB ALA 25 1HB ALA 25 -10.428 -3.216 -0.568 265 3HB ALA 25 3HB ALA 25 -9.997 -4.642 -1.513 266 QB ALA 25 QB ALA 25 -10.148 -4.194 -0.611 267 H GLU 26 H GLU 26 -8.320 -4.283 1.905 268 HA GLU 26 HA GLU 26 -8.498 -1.659 3.089 269 1HB GLU 26 2HB GLU 26 -8.933 -4.129 3.964 270 2HB GLU 26 1HB GLU 26 -7.243 -4.025 4.456 271 1HG GLU 26 2HG GLU 26 -8.590 -3.276 6.317 272 2HG GLU 26 1HG GLU 26 -7.803 -1.857 5.623 273 QB GLU 26 QB GLU 26 -8.088 -4.077 4.210 274 QG GLU 26 QG GLU 26 -8.196 -2.566 5.970 275 H ALA 27 H ALA 27 -5.779 -3.896 2.516 276 HA ALA 27 HA ALA 27 -3.663 -2.404 3.667 277 1HB ALA 27 3HB ALA 27 -4.054 -4.522 1.653 278 2HB ALA 27 2HB ALA 27 -2.580 -3.583 1.407 279 3HB ALA 27 1HB ALA 27 -2.854 -4.414 2.941 280 QB ALA 27 QB ALA 27 -3.163 -4.173 2.000 281 H GLU 28 H GLU 28 -4.996 -2.266 0.349 282 HA GLU 28 HA GLU 28 -3.264 -0.254 -0.690 283 1HB GLU 28 2HB GLU 28 -5.061 -1.796 -1.795 284 2HB GLU 28 1HB GLU 28 -6.189 -0.502 -1.393 285 1HG GLU 28 2HG GLU 28 -4.359 1.036 -2.514 286 2HG GLU 28 1HG GLU 28 -3.869 -0.460 -3.309 287 QB GLU 28 QB GLU 28 -5.625 -1.149 -1.594 288 QG GLU 28 QG GLU 28 -4.114 0.288 -2.911 289 H LYS 29 H LYS 29 -6.275 -0.026 1.206 290 HA LYS 29 HA LYS 29 -6.543 2.856 1.012 291 1HB LYS 29 2HB LYS 29 -7.527 0.749 2.963 292 2HB LYS 29 1HB LYS 29 -8.033 2.437 3.030 293 1HG LYS 29 2HG LYS 29 -8.454 1.884 0.388 294 2HG LYS 29 1HG LYS 29 -8.797 0.315 1.116 295 1HD LYS 29 2HD LYS 29 -10.877 1.237 1.390 296 2HD LYS 29 1HD LYS 29 -10.131 1.899 2.846 297 1HE LYS 29 2HE LYS 29 -10.843 3.904 1.976 298 2HE LYS 29 1HE LYS 29 -9.381 3.765 0.979 299 1HZ LYS 29 1HZ LYS 29 -10.700 2.467 -0.627 300 2HZ LYS 29 3HZ LYS 29 -12.095 2.767 0.291 301 3HZ LYS 29 2HZ LYS 29 -11.275 4.055 -0.454 302 QB LYS 29 QB LYS 29 -7.780 1.593 2.997 303 QG LYS 29 QG LYS 29 -8.625 1.100 0.752 304 QD LYS 29 QD LYS 29 -10.504 1.568 2.118 305 QE LYS 29 QE LYS 29 -10.112 3.835 1.478 306 QZ LYS 29 QZ LYS 29 -11.357 3.096 -0.263 307 H ILE 30 H ILE 30 -5.287 0.702 3.577 308 HA ILE 30 HA ILE 30 -4.338 2.698 5.379 309 HB ILE 30 HB ILE 30 -3.284 -0.087 4.731 310 1HG1 ILE 30 2HG1 ILE 30 -5.059 0.563 7.059 311 2HG1 ILE 30 1HG1 ILE 30 -5.789 0.387 5.463 312 1HG2 ILE 30 3HG2 ILE 30 -1.941 1.669 6.238 313 2HG2 ILE 30 2HG2 ILE 30 -3.106 1.144 7.452 314 3HG2 ILE 30 1HG2 ILE 30 -2.044 -0.034 6.683 315 1HD1 ILE 30 2HD1 ILE 30 -3.832 -1.721 6.149 316 2HD1 ILE 30 1HD1 ILE 30 -5.280 -1.703 7.160 317 3HD1 ILE 30 3HD1 ILE 30 -5.429 -1.861 5.409 318 QG1 ILE 30 QG1 ILE 30 -5.424 0.475 6.261 319 QG2 ILE 30 QG2 ILE 30 -2.364 0.926 6.791 320 QD1 ILE 30 QD1 ILE 30 -4.847 -1.762 6.239 321 H PHE 31 H PHE 31 -2.865 1.137 2.572 322 HA PHE 31 HA PHE 31 -0.272 2.435 2.829 323 1HB PHE 31 2HB PHE 31 -1.776 0.782 0.815 324 2HB PHE 31 1HB PHE 31 -0.289 1.580 0.320 325 HD1 PHE 31 1HD PHE 31 1.453 1.420 2.624 326 HD2 PHE 31 2HD PHE 31 -1.349 -1.475 1.138 327 HE1 PHE 31 1HE PHE 31 2.778 -0.398 3.672 328 HE2 PHE 31 2HE PHE 31 -0.028 -3.294 2.187 329 1HZ PHE 31 HZ PHE 31 2.037 -2.755 3.453 330 QB PHE 31 QB PHE 31 -1.033 1.181 0.567 331 QG PHE 31 QD PHE 31 0.052 -0.028 1.881 332 QZ PHE 31 QE PHE 31 1.375 -1.846 2.930 333 QZ PHE 31 QR PHE 31 0.978 -1.300 2.615 334 H LYS 32 H LYS 32 -3.233 3.036 0.940 335 HA LYS 32 HA LYS 32 -2.151 5.270 -0.533 336 1HB LYS 32 2HB LYS 32 -4.882 4.093 -0.080 337 2HB LYS 32 1HB LYS 32 -4.662 5.555 -1.035 338 1HG LYS 32 2HG LYS 32 -2.758 3.473 -1.804 339 2HG LYS 32 1HG LYS 32 -4.428 2.931 -1.966 340 1HD LYS 32 2HD LYS 32 -3.439 5.571 -3.070 341 2HD LYS 32 1HD LYS 32 -3.485 4.085 -4.017 342 1HE LYS 32 2HE LYS 32 -6.035 4.481 -2.681 343 2HE LYS 32 1HE LYS 32 -5.612 5.903 -3.655 344 1HZ LYS 32 2HZ LYS 32 -5.330 3.119 -4.641 345 2HZ LYS 32 1HZ LYS 32 -6.720 4.057 -4.914 346 3HZ LYS 32 3HZ LYS 32 -5.226 4.555 -5.544 347 QB LYS 32 QB LYS 32 -4.772 4.824 -0.558 348 QG LYS 32 QG LYS 32 -3.593 3.202 -1.885 349 QD LYS 32 QD LYS 32 -3.462 4.828 -3.544 350 QE LYS 32 QE LYS 32 -5.823 5.192 -3.168 351 QZ LYS 32 QZ LYS 32 -5.759 3.910 -5.033 352 H GLN 33 H GLN 33 -2.901 5.084 2.721 353 HA GLN 33 HA GLN 33 -3.870 7.948 2.798 354 1HB GLN 33 2HB GLN 33 -5.282 6.139 3.869 355 2HB GLN 33 1HB GLN 33 -3.921 5.770 4.930 356 1HG GLN 33 2HG GLN 33 -4.087 7.804 6.072 357 2HG GLN 33 1HG GLN 33 -4.946 8.590 4.746 358 1HE2 GLN 33 2HE2 GLN 33 -7.071 6.839 7.663 359 2HE2 GLN 33 1HE2 GLN 33 -5.400 7.113 7.773 360 QB GLN 33 QB GLN 33 -4.601 5.955 4.399 361 QG GLN 33 QG GLN 33 -4.517 8.197 5.409 362 QE2 GLN 33 QE2 GLN 33 -6.235 6.976 7.718 363 H TYR 34 H TYR 34 -1.805 5.513 4.179 364 HA TYR 34 HA TYR 34 -0.043 6.957 5.833 365 1HB TYR 34 2HB TYR 34 -0.171 4.578 5.754 366 2HB TYR 34 1HB TYR 34 0.013 4.554 3.998 367 HD1 TYR 34 1HD TYR 34 1.951 6.171 6.799 368 HD2 TYR 34 2HD TYR 34 2.036 3.490 3.445 369 HE1 TYR 34 1HE TYR 34 4.391 5.858 7.114 370 HE2 TYR 34 2HE TYR 34 4.476 3.176 3.758 371 HH TYR 34 HH TYR 34 6.397 5.083 5.259 372 QB TYR 34 QB TYR 34 -0.079 4.566 4.876 373 QG TYR 34 QD TYR 34 1.994 4.831 5.122 374 QZ TYR 34 QE TYR 34 4.433 4.517 5.436 375 QR TYR 34 QR TYR 34 3.214 4.674 5.279 376 H ALA 35 H ALA 35 -0.023 6.416 2.313 377 HA ALA 35 HA ALA 35 2.515 7.635 1.671 378 1HB ALA 35 2HB ALA 35 -0.013 6.818 0.314 379 2HB ALA 35 1HB ALA 35 0.999 7.984 -0.543 380 3HB ALA 35 3HB ALA 35 1.658 6.412 -0.084 381 QB ALA 35 QB ALA 35 0.882 7.071 -0.104 382 H ASN 36 H ASN 36 -0.820 8.943 1.395 383 HA ASN 36 HA ASN 36 -0.153 11.595 0.659 384 1HB ASN 36 2HB ASN 36 -2.432 10.255 2.084 385 2HB ASN 36 1HB ASN 36 -2.428 12.008 1.893 386 1HD2 ASN 36 2HD2 ASN 36 -2.860 9.638 -1.431 387 2HD2 ASN 36 1HD2 ASN 36 -2.255 8.963 0.003 388 QB ASN 36 QB ASN 36 -2.430 11.132 1.989 389 QD2 ASN 36 QD2 ASN 36 -2.557 9.301 -0.714 390 H ASP 37 H ASP 37 -0.742 10.280 3.935 391 HA ASP 37 HA ASP 37 -0.331 12.654 5.418 392 1HB ASP 37 2HB ASP 37 -1.171 10.344 6.133 393 2HB ASP 37 1HB ASP 37 0.527 9.878 6.254 394 QB ASP 37 QB ASP 37 -0.322 10.111 6.194 395 H ASN 38 H ASN 38 1.979 10.654 3.795 396 HA ASN 38 HA ASN 38 4.242 11.942 5.177 397 1HB ASN 38 2HB ASN 38 4.069 9.450 4.951 398 2HB ASN 38 1HB ASN 38 4.170 9.650 3.202 399 1HD2 ASN 38 2HD2 ASN 38 7.522 10.312 5.485 400 2HD2 ASN 38 1HD2 ASN 38 5.993 10.339 6.221 401 QB ASN 38 QB ASN 38 4.119 9.550 4.076 402 QD2 ASN 38 QD2 ASN 38 6.758 10.326 5.853 403 H GLY 39 H GLY 39 2.641 11.677 2.066 404 1HA GLY 39 2HA GLY 39 2.853 13.661 0.562 405 2HA GLY 39 1HA GLY 39 4.571 13.676 0.957 406 QA GLY 39 QA GLY 39 3.712 13.669 0.760 407 H ILE 40 H ILE 40 2.717 10.737 0.307 408 HA ILE 40 HA ILE 40 4.467 10.261 -2.068 409 HB ILE 40 HB ILE 40 3.241 8.647 0.117 410 1HG1 ILE 40 2HG1 ILE 40 5.471 7.469 -0.215 411 2HG1 ILE 40 1HG1 ILE 40 5.840 8.730 -1.392 412 1HG2 ILE 40 3HG2 ILE 40 2.310 7.596 -1.977 413 2HG2 ILE 40 2HG2 ILE 40 3.970 7.340 -2.513 414 3HG2 ILE 40 1HG2 ILE 40 3.380 6.549 -1.049 415 1HD1 ILE 40 3HD1 ILE 40 4.812 9.453 1.329 416 2HD1 ILE 40 2HD1 ILE 40 6.534 9.113 1.091 417 3HD1 ILE 40 1HD1 ILE 40 5.753 10.432 0.197 418 QG1 ILE 40 QG1 ILE 40 5.656 8.099 -0.803 419 QG2 ILE 40 QG2 ILE 40 3.220 7.161 -1.847 420 QD1 ILE 40 QD1 ILE 40 5.700 9.666 0.872 421 H ASP 41 H ASP 41 3.482 10.720 -3.929 422 HA ASP 41 HA ASP 41 0.742 9.713 -4.461 423 1HB ASP 41 2HB ASP 41 0.670 12.006 -3.336 424 2HB ASP 41 1HB ASP 41 1.412 12.643 -4.803 425 QB ASP 41 QB ASP 41 1.041 12.324 -4.069 426 H GLY 42 H GLY 42 1.330 8.547 -6.286 427 1HA GLY 42 2HA GLY 42 2.107 10.077 -8.671 428 2HA GLY 42 1HA GLY 42 3.263 8.844 -8.177 429 QA GLY 42 QA GLY 42 2.685 9.460 -8.424 430 H GLU 43 H GLU 43 2.754 6.658 -8.530 431 HA GLU 43 HA GLU 43 0.137 6.118 -9.920 432 1HB GLU 43 2HB GLU 43 2.509 6.216 -11.134 433 2HB GLU 43 1HB GLU 43 2.628 4.569 -10.511 434 1HG GLU 43 2HG GLU 43 1.578 4.144 -12.527 435 2HG GLU 43 1HG GLU 43 0.164 4.390 -11.501 436 QB GLU 43 QB GLU 43 2.568 5.393 -10.823 437 QG GLU 43 QG GLU 43 0.871 4.267 -12.014 438 H TRP 44 H TRP 44 -1.058 4.528 -8.932 439 HA TRP 44 HA TRP 44 0.265 2.726 -6.916 440 1HB TRP 44 2HB TRP 44 -2.487 3.868 -7.375 441 2HB TRP 44 1HB TRP 44 -2.288 2.410 -6.396 442 HD1 TRP 44 HD TRP 44 -1.418 6.127 -6.443 443 HE1 TRP 44 1HE TRP 44 -0.652 6.804 -4.074 444 HE3 TRP 44 3HE TRP 44 -1.277 1.533 -4.249 445 HZ2 TRP 44 2HZ TRP 44 -0.048 5.546 -1.573 446 HZ3 TRP 44 3HZ TRP 44 -0.598 1.299 -1.869 447 HH2 TRP 44 HH TRP 44 0.022 3.297 -0.541 448 QB TRP 44 QB TRP 44 -2.388 3.139 -6.886 449 H THR 45 H THR 45 0.256 0.541 -7.231 450 HA THR 45 HA THR 45 -1.569 -0.675 -9.239 451 HB THR 45 HB THR 45 0.200 -1.652 -10.504 452 HG1 THR 45 1HG THR 45 2.277 -1.711 -9.809 453 1HG2 THR 45 1HG2 THR 45 -0.138 0.774 -10.947 454 2HG2 THR 45 3HG2 THR 45 1.163 1.130 -9.811 455 3HG2 THR 45 2HG2 THR 45 1.507 0.243 -11.298 456 QG2 THR 45 QG2 THR 45 0.844 0.715 -10.685 457 H TYR 46 H TYR 46 -2.286 -2.605 -8.459 458 HA TYR 46 HA TYR 46 -1.004 -3.667 -5.987 459 1HB TYR 46 2HB TYR 46 -3.368 -3.195 -5.850 460 2HB TYR 46 1HB TYR 46 -3.689 -4.088 -7.338 461 HD1 TYR 46 1HD TYR 46 -1.797 -4.761 -4.160 462 HD2 TYR 46 2HD TYR 46 -4.732 -6.143 -6.973 463 HE1 TYR 46 1HE TYR 46 -2.053 -6.857 -2.862 464 HE2 TYR 46 2HE TYR 46 -4.990 -8.240 -5.672 465 HH TYR 46 HH TYR 46 -3.199 -9.542 -3.913 466 QB TYR 46 QB TYR 46 -3.528 -3.641 -6.594 467 QG TYR 46 QD TYR 46 -3.265 -5.452 -5.567 468 QZ TYR 46 QE TYR 46 -3.522 -7.548 -4.267 469 QR TYR 46 QR TYR 46 -3.393 -6.500 -4.917 470 H ASP 47 H ASP 47 -0.229 -5.796 -5.892 471 HA ASP 47 HA ASP 47 -0.028 -7.248 -8.509 472 1HB ASP 47 2HB ASP 47 1.807 -7.155 -6.089 473 2HB ASP 47 1HB ASP 47 2.094 -8.131 -7.530 474 QB ASP 47 QB ASP 47 1.951 -7.643 -6.809 475 H ASP 48 H ASP 48 -1.798 -8.650 -8.290 476 HA ASP 48 HA ASP 48 -2.526 -9.983 -5.834 477 1HB ASP 48 2HB ASP 48 -4.003 -9.481 -7.796 478 2HB ASP 48 1HB ASP 48 -3.137 -10.714 -8.713 479 QB ASP 48 QB ASP 48 -3.570 -10.098 -8.254 480 H ALA 49 H ALA 49 0.110 -10.524 -7.889 481 HA ALA 49 HA ALA 49 0.198 -13.455 -7.500 482 1HB ALA 49 3HB ALA 49 1.467 -11.376 -9.184 483 2HB ALA 49 2HB ALA 49 2.535 -12.697 -8.712 484 3HB ALA 49 1HB ALA 49 1.043 -13.039 -9.587 485 QB ALA 49 QB ALA 49 1.682 -12.371 -9.161 486 H THR 50 H THR 50 1.585 -10.481 -6.238 487 HA THR 50 HA THR 50 3.269 -12.108 -4.363 488 HB THR 50 HB THR 50 4.821 -10.157 -4.444 489 HG1 THR 50 1HG THR 50 4.374 -8.648 -6.174 490 1HG2 THR 50 1HG2 THR 50 4.796 -12.163 -6.118 491 2HG2 THR 50 3HG2 THR 50 4.257 -10.955 -7.285 492 3HG2 THR 50 2HG2 THR 50 5.812 -10.765 -6.473 493 QG2 THR 50 QG2 THR 50 4.955 -11.294 -6.625 494 H LYS 51 H LYS 51 0.478 -10.346 -4.511 495 HA LYS 51 HA LYS 51 -0.784 -9.126 -2.935 496 1HB LYS 51 2HB LYS 51 1.215 -10.494 -1.098 497 2HB LYS 51 1HB LYS 51 -0.321 -9.796 -0.590 498 1HG LYS 51 2HG LYS 51 -0.501 -11.714 -2.840 499 2HG LYS 51 1HG LYS 51 -0.007 -12.412 -1.297 500 1HD LYS 51 2HD LYS 51 -2.005 -11.000 -0.336 501 2HD LYS 51 1HD LYS 51 -2.571 -11.018 -2.007 502 1HE LYS 51 2HE LYS 51 -1.670 -13.630 -0.873 503 2HE LYS 51 1HE LYS 51 -3.218 -12.984 -0.293 504 1HZ LYS 51 2HZ LYS 51 -3.876 -12.612 -2.599 505 2HZ LYS 51 1HZ LYS 51 -2.416 -13.290 -3.139 506 3HZ LYS 51 3HZ LYS 51 -3.546 -14.254 -2.321 507 QB LYS 51 QB LYS 51 0.447 -10.145 -0.844 508 QG LYS 51 QG LYS 51 -0.254 -12.063 -2.069 509 QD LYS 51 QD LYS 51 -2.288 -11.009 -1.172 510 QE LYS 51 QE LYS 51 -2.444 -13.307 -0.583 511 QZ LYS 51 QZ LYS 51 -3.279 -13.385 -2.686 512 H THR 52 H THR 52 1.416 -7.744 -4.202 513 HA THR 52 HA THR 52 2.169 -5.841 -1.995 514 HB THR 52 HB THR 52 3.830 -6.455 -4.444 515 HG1 THR 52 1HG THR 52 3.853 -7.716 -1.905 516 1HG2 THR 52 3HG2 THR 52 4.167 -4.994 -1.864 517 2HG2 THR 52 2HG2 THR 52 5.573 -5.837 -2.515 518 3HG2 THR 52 1HG2 THR 52 4.772 -4.590 -3.471 519 QG2 THR 52 QG2 THR 52 4.837 -5.140 -2.617 520 H PHE 53 H PHE 53 1.982 -3.649 -2.492 521 HA PHE 53 HA PHE 53 0.568 -2.981 -5.022 522 1HB PHE 53 2HB PHE 53 1.001 -1.612 -2.357 523 2HB PHE 53 1HB PHE 53 0.177 -0.824 -3.703 524 HD1 PHE 53 2HD PHE 53 0.058 -3.705 -1.358 525 HD2 PHE 53 1HD PHE 53 -2.087 -1.405 -4.296 526 HE1 PHE 53 2HE PHE 53 -2.050 -4.868 -0.733 527 HE2 PHE 53 1HE PHE 53 -4.180 -2.577 -3.671 528 1HZ PHE 53 HZ PHE 53 -4.162 -4.304 -1.895 529 QB PHE 53 QB PHE 53 0.589 -1.218 -3.030 530 QG PHE 53 QD PHE 53 -1.014 -2.555 -2.827 531 QZ PHE 53 QE PHE 53 -3.115 -3.723 -2.202 532 QZ PHE 53 QR PHE 53 -2.484 -3.372 -2.390 533 H THR 54 H THR 54 1.311 -0.355 -5.509 534 HA THR 54 HA THR 54 4.233 -0.049 -5.310 535 HB THR 54 HB THR 54 3.154 -0.044 -8.099 536 HG1 THR 54 1HG THR 54 3.895 -2.430 -6.760 537 1HG2 THR 54 3HG2 THR 54 5.737 -0.537 -6.680 538 2HG2 THR 54 2HG2 THR 54 5.503 -1.256 -8.274 539 3HG2 THR 54 1HG2 THR 54 5.400 0.492 -8.072 540 QG2 THR 54 QG2 THR 54 5.547 -0.434 -7.675 541 H VAL 55 H VAL 55 3.854 1.973 -4.428 542 HA VAL 55 HA VAL 55 2.083 3.834 -5.930 543 HB VAL 55 HB VAL 55 1.491 3.598 -3.628 544 1HG1 VAL 55 2HG1 VAL 55 4.423 4.073 -3.030 545 2HG1 VAL 55 1HG1 VAL 55 3.153 4.138 -1.809 546 3HG1 VAL 55 3HG1 VAL 55 3.458 2.632 -2.673 547 1HG2 VAL 55 1HG2 VAL 55 1.493 5.925 -4.516 548 2HG2 VAL 55 3HG2 VAL 55 1.755 5.868 -2.773 549 3HG2 VAL 55 2HG2 VAL 55 3.114 6.147 -3.862 550 QG1 VAL 55 QG1 VAL 55 3.678 3.614 -2.504 551 QG2 VAL 55 QG2 VAL 55 2.121 5.980 -3.717 552 QQG VAL 55 QQG VAL 55 2.899 4.797 -3.110 553 H THR 56 H THR 56 3.359 4.607 -7.569 554 HA THR 56 HA THR 56 6.101 5.513 -7.184 555 HB THR 56 HB THR 56 4.015 5.347 -9.313 556 HG1 THR 56 1HG THR 56 5.574 4.239 -10.276 557 1HG2 THR 56 3HG2 THR 56 6.321 7.307 -9.532 558 2HG2 THR 56 2HG2 THR 56 5.328 6.765 -10.885 559 3HG2 THR 56 1HG2 THR 56 4.602 7.701 -9.576 560 QG2 THR 56 QG2 THR 56 5.417 7.258 -9.998 561 H GLU 57 H GLU 57 6.593 7.931 -7.671 562 HA GLU 57 HA GLU 57 4.474 9.713 -6.518 563 1HB GLU 57 2HB GLU 57 6.174 8.937 -4.838 564 2HB GLU 57 1HB GLU 57 7.431 9.684 -5.824 565 1HG GLU 57 2HG GLU 57 5.094 11.384 -5.099 566 2HG GLU 57 1HG GLU 57 6.236 10.997 -3.812 567 QB GLU 57 QB GLU 57 6.802 9.311 -5.331 568 QG GLU 57 QG GLU 57 5.665 11.191 -4.456 No H/Q in entry = 568 Start of MODEL 32 1 1H MET 1 2HT MET 1 -3.060 -14.374 7.618 2 2H MET 1 1HT MET 1 -2.859 -15.674 6.544 3 3H MET 1 3HT MET 1 -2.150 -15.732 8.084 4 HA MET 1 HA MET 1 -0.639 -13.954 7.530 5 1HB MET 1 2HB MET 1 -0.234 -16.387 6.976 6 2HB MET 1 1HB MET 1 -0.797 -16.046 5.339 7 1HG MET 1 2HG MET 1 1.477 -15.721 5.049 8 2HG MET 1 1HG MET 1 0.992 -14.087 5.500 9 1HE MET 1 2HE MET 1 3.443 -14.098 5.591 10 2HE MET 1 1HE MET 1 4.288 -14.121 7.137 11 3HE MET 1 3HE MET 1 4.217 -15.582 6.141 12 QB MET 1 QB MET 1 -0.515 -16.216 6.157 13 QG MET 1 QG MET 1 1.234 -14.904 5.275 14 QE MET 1 QE MET 1 3.983 -14.600 6.290 15 H THR 2 H THR 2 -2.104 -12.099 6.904 16 HA THR 2 HA THR 2 -2.274 -11.762 3.925 17 HB THR 2 HB THR 2 -3.907 -10.414 6.097 18 HG1 THR 2 1HG THR 2 -5.247 -12.052 6.005 19 1HG2 THR 2 2HG2 THR 2 -3.895 -10.439 3.113 20 2HG2 THR 2 1HG2 THR 2 -5.459 -10.377 3.923 21 3HG2 THR 2 3HG2 THR 2 -4.262 -9.119 4.223 22 QG2 THR 2 QG2 THR 2 -4.539 -9.978 3.753 23 H THR 3 H THR 3 0.066 -11.143 5.642 24 HA THR 3 HA THR 3 0.200 -8.323 6.226 25 HB THR 3 HB THR 3 2.452 -10.218 5.493 26 HG1 THR 3 1HG THR 3 1.562 -11.310 7.078 27 1HG2 THR 3 3HG2 THR 3 2.596 -7.574 6.031 28 2HG2 THR 3 2HG2 THR 3 2.651 -8.212 7.675 29 3HG2 THR 3 1HG2 THR 3 3.860 -8.715 6.492 30 QG2 THR 3 QG2 THR 3 3.036 -8.167 6.732 31 H PHE 4 H PHE 4 -0.598 -7.209 4.349 32 HA PHE 4 HA PHE 4 0.492 -7.615 1.690 33 1HB PHE 4 2HB PHE 4 -1.205 -5.561 3.100 34 2HB PHE 4 1HB PHE 4 -0.659 -5.277 1.447 35 HD1 PHE 4 1HD PHE 4 -0.992 -7.311 -0.210 36 HD2 PHE 4 2HD PHE 4 -3.188 -6.745 3.435 37 HE1 PHE 4 1HE PHE 4 -2.783 -8.796 -1.061 38 HE2 PHE 4 2HE PHE 4 -4.978 -8.231 2.583 39 1HZ PHE 4 HZ PHE 4 -4.777 -9.258 0.335 40 QB PHE 4 QB PHE 4 -0.932 -5.419 2.273 41 QG PHE 4 QD PHE 4 -2.090 -7.028 1.612 42 QZ PHE 4 QE PHE 4 -3.880 -8.513 0.761 43 QZ PHE 4 QR PHE 4 -3.344 -8.068 1.016 44 H LYS 5 H LYS 5 2.069 -6.362 0.619 45 HA LYS 5 HA LYS 5 3.816 -4.705 2.402 46 1HB LYS 5 2HB LYS 5 4.195 -6.605 0.128 47 2HB LYS 5 1HB LYS 5 5.334 -5.262 0.240 48 1HG LYS 5 2HG LYS 5 5.996 -5.896 2.457 49 2HG LYS 5 1HG LYS 5 4.685 -7.069 2.581 50 1HD LYS 5 2HD LYS 5 6.622 -7.367 0.324 51 2HD LYS 5 1HD LYS 5 7.157 -7.829 1.940 52 1HE LYS 5 2HE LYS 5 5.548 -9.530 2.130 53 2HE LYS 5 1HE LYS 5 4.503 -8.808 0.890 54 1HZ LYS 5 2HZ LYS 5 6.294 -9.194 -0.733 55 2HZ LYS 5 1HZ LYS 5 7.187 -10.010 0.460 56 3HZ LYS 5 3HZ LYS 5 5.705 -10.643 -0.070 57 QB LYS 5 QB LYS 5 4.764 -5.934 0.184 58 QG LYS 5 QG LYS 5 5.341 -6.482 2.519 59 QD LYS 5 QD LYS 5 6.890 -7.598 1.132 60 QE LYS 5 QE LYS 5 5.026 -9.169 1.510 61 QZ LYS 5 QZ LYS 5 6.395 -9.949 -0.114 62 H LEU 6 H LEU 6 5.151 -3.093 0.799 63 HA LEU 6 HA LEU 6 3.503 -1.946 -1.352 64 1HB LEU 6 2HB LEU 6 2.422 -1.150 0.713 65 2HB LEU 6 1HB LEU 6 3.963 -0.516 1.288 66 HG LEU 6 HG LEU 6 3.901 0.749 -1.063 67 1HD1 LEU 6 1HD1 LEU 6 1.139 -0.225 -0.589 68 2HD1 LEU 6 3HD1 LEU 6 1.296 1.462 -1.071 69 3HD1 LEU 6 2HD1 LEU 6 1.945 0.190 -2.102 70 1HD2 LEU 6 3HD2 LEU 6 3.598 1.478 1.551 71 2HD2 LEU 6 2HD2 LEU 6 3.550 2.617 0.206 72 3HD2 LEU 6 1HD2 LEU 6 2.048 1.994 0.886 73 QB LEU 6 QB LEU 6 3.193 -0.833 1.000 74 QD1 LEU 6 QD1 LEU 6 1.460 0.475 -1.254 75 QD2 LEU 6 QD2 LEU 6 3.065 2.030 0.881 76 QQD LEU 6 QQD LEU 6 2.263 1.252 -0.187 77 H ILE 7 H ILE 7 5.283 -1.923 -2.741 78 HA ILE 7 HA ILE 7 7.871 -0.799 -1.829 79 HB ILE 7 HB ILE 7 6.862 -1.996 -4.438 80 1HG1 ILE 7 2HG1 ILE 7 8.921 -3.273 -2.689 81 2HG1 ILE 7 1HG1 ILE 7 7.241 -3.331 -2.151 82 1HG2 ILE 7 2HG2 ILE 7 9.457 -0.751 -3.647 83 2HG2 ILE 7 1HG2 ILE 7 9.534 -2.227 -4.613 84 3HG2 ILE 7 3HG2 ILE 7 8.672 -0.815 -5.228 85 1HD1 ILE 7 3HD1 ILE 7 6.886 -4.029 -4.726 86 2HD1 ILE 7 2HD1 ILE 7 8.527 -4.632 -4.499 87 3HD1 ILE 7 1HD1 ILE 7 7.222 -5.214 -3.466 88 QG1 ILE 7 QG1 ILE 7 8.081 -3.302 -2.420 89 QG2 ILE 7 QG2 ILE 7 9.221 -1.264 -4.496 90 QD1 ILE 7 QD1 ILE 7 7.545 -4.625 -4.230 91 H ILE 8 H ILE 8 8.068 1.426 -1.924 92 HA ILE 8 HA ILE 8 6.323 2.913 -3.778 93 HB ILE 8 HB ILE 8 8.314 3.856 -1.687 94 1HG1 ILE 8 2HG1 ILE 8 6.223 4.550 -0.461 95 2HG1 ILE 8 1HG1 ILE 8 5.280 3.721 -1.680 96 1HG2 ILE 8 2HG2 ILE 8 7.832 5.447 -3.625 97 2HG2 ILE 8 1HG2 ILE 8 6.146 5.460 -3.083 98 3HG2 ILE 8 3HG2 ILE 8 7.427 6.070 -2.026 99 1HD1 ILE 8 1HD1 ILE 8 7.430 2.236 -0.218 100 2HD1 ILE 8 3HD1 ILE 8 5.858 2.485 0.547 101 3HD1 ILE 8 2HD1 ILE 8 5.968 1.617 -0.988 102 QG1 ILE 8 QG1 ILE 8 5.751 4.136 -1.071 103 QG2 ILE 8 QG2 ILE 8 7.135 5.659 -2.912 104 QD1 ILE 8 QD1 ILE 8 6.418 2.113 -0.220 105 H ASN 9 H ASN 9 7.116 3.361 -5.834 106 HA ASN 9 HA ASN 9 9.896 2.879 -6.496 107 1HB ASN 9 2HB ASN 9 7.872 4.338 -8.203 108 2HB ASN 9 1HB ASN 9 9.206 3.329 -8.743 109 1HD2 ASN 9 2HD2 ASN 9 5.731 1.577 -8.636 110 2HD2 ASN 9 1HD2 ASN 9 6.070 3.202 -9.009 111 QB ASN 9 QB ASN 9 8.539 3.833 -8.473 112 QD2 ASN 9 QD2 ASN 9 5.901 2.390 -8.822 113 H GLY 10 H GLY 10 7.961 5.687 -5.811 114 1HA GLY 10 2HA GLY 10 9.765 7.682 -6.809 115 2HA GLY 10 1HA GLY 10 8.509 7.963 -5.602 116 QA GLY 10 QA GLY 10 9.137 7.823 -6.205 117 H LYS 11 H LYS 11 11.087 9.148 -5.466 118 HA LYS 11 HA LYS 11 12.636 7.634 -3.453 119 1HB LYS 11 2HB LYS 11 14.183 9.553 -3.709 120 2HB LYS 11 1HB LYS 11 13.733 8.880 -5.274 121 1HG LYS 11 2HG LYS 11 11.797 10.884 -4.569 122 2HG LYS 11 1HG LYS 11 13.407 11.569 -4.352 123 1HD LYS 11 2HD LYS 11 14.010 10.799 -6.645 124 2HD LYS 11 1HD LYS 11 12.356 10.222 -6.858 125 1HE LYS 11 2HE LYS 11 12.285 12.380 -7.823 126 2HE LYS 11 1HE LYS 11 11.696 12.678 -6.176 127 1HZ LYS 11 2HZ LYS 11 14.041 13.071 -5.522 128 2HZ LYS 11 1HZ LYS 11 14.481 12.990 -7.161 129 3HZ LYS 11 3HZ LYS 11 13.449 14.223 -6.621 130 QB LYS 11 QB LYS 11 13.958 9.216 -4.491 131 QG LYS 11 QG LYS 11 12.602 11.226 -4.461 132 QD LYS 11 QD LYS 11 13.183 10.511 -6.751 133 QE LYS 11 QE LYS 11 11.991 12.529 -7.000 134 QZ LYS 11 QZ LYS 11 13.990 13.428 -6.435 135 H THR 12 H THR 12 9.820 9.131 -3.091 136 HA THR 12 HA THR 12 10.198 11.191 -1.150 137 HB THR 12 HB THR 12 7.802 10.388 -0.532 138 HG1 THR 12 1HG THR 12 7.579 8.424 -1.294 139 1HG2 THR 12 3HG2 THR 12 8.619 11.273 -3.306 140 2HG2 THR 12 2HG2 THR 12 6.946 11.255 -2.749 141 3HG2 THR 12 1HG2 THR 12 8.130 12.295 -1.957 142 QG2 THR 12 QG2 THR 12 7.898 11.608 -2.671 143 H LEU 13 H LEU 13 9.367 7.776 -0.697 144 HA LEU 13 HA LEU 13 10.707 7.880 1.975 145 1HB LEU 13 2HB LEU 13 8.814 6.579 2.862 146 2HB LEU 13 1HB LEU 13 8.232 8.071 2.119 147 HG LEU 13 HG LEU 13 7.968 6.624 -0.021 148 1HD1 LEU 13 2HD1 LEU 13 8.812 4.645 1.925 149 2HD1 LEU 13 1HD1 LEU 13 7.179 4.269 1.381 150 3HD1 LEU 13 3HD1 LEU 13 8.485 4.425 0.208 151 1HD2 LEU 13 3HD2 LEU 13 6.174 7.632 1.486 152 2HD2 LEU 13 2HD2 LEU 13 5.685 6.192 0.593 153 3HD2 LEU 13 1HD2 LEU 13 6.100 6.070 2.302 154 QB LEU 13 QB LEU 13 8.523 7.325 2.491 155 QD1 LEU 13 QD1 LEU 13 8.159 4.446 1.171 156 QD2 LEU 13 QD2 LEU 13 5.986 6.631 1.461 157 QQD LEU 13 QQD LEU 13 7.072 5.539 1.316 158 H LYS 14 H LYS 14 9.882 5.999 -0.888 159 HA LYS 14 HA LYS 14 10.476 3.835 -1.601 160 1HB LYS 14 2HB LYS 14 13.008 3.691 -1.666 161 2HB LYS 14 1HB LYS 14 12.314 5.163 -2.331 162 1HG LYS 14 2HG LYS 14 12.872 6.411 -0.343 163 2HG LYS 14 1HG LYS 14 13.357 4.945 0.506 164 1HD LYS 14 2HD LYS 14 14.687 5.796 -2.065 165 2HD LYS 14 1HD LYS 14 15.241 6.381 -0.496 166 1HE LYS 14 2HE LYS 14 15.278 3.864 0.186 167 2HE LYS 14 1HE LYS 14 15.262 3.559 -1.564 168 1HZ LYS 14 3HZ LYS 14 17.115 5.144 -1.777 169 2HZ LYS 14 2HZ LYS 14 17.180 5.283 -0.084 170 3HZ LYS 14 1HZ LYS 14 17.529 3.798 -0.831 171 QB LYS 14 QB LYS 14 12.661 4.427 -1.999 172 QG LYS 14 QG LYS 14 13.115 5.678 0.081 173 QD LYS 14 QD LYS 14 14.964 6.088 -1.281 174 QE LYS 14 QE LYS 14 15.270 3.711 -0.689 175 QZ LYS 14 QZ LYS 14 17.275 4.742 -0.897 176 H GLY 15 H GLY 15 9.640 2.181 -0.373 177 1HA GLY 15 2HA GLY 15 11.415 0.627 1.242 178 2HA GLY 15 1HA GLY 15 10.331 1.532 2.299 179 QA GLY 15 QA GLY 15 10.873 1.079 1.770 180 H GLU 16 H GLU 16 9.960 -1.004 2.628 181 HA GLU 16 HA GLU 16 7.543 -1.740 1.006 182 1HB GLU 16 2HB GLU 16 10.057 -3.187 1.679 183 2HB GLU 16 1HB GLU 16 8.569 -4.132 1.744 184 1HG GLU 16 2HG GLU 16 8.193 -3.956 -0.516 185 2HG GLU 16 1HG GLU 16 8.945 -2.365 -0.625 186 QB GLU 16 QB GLU 16 9.313 -3.660 1.711 187 QG GLU 16 QG GLU 16 8.569 -3.161 -0.570 188 H ILE 17 H ILE 17 6.596 -0.520 2.982 189 HA ILE 17 HA ILE 17 6.755 -1.628 5.630 190 HB ILE 17 HB ILE 17 4.576 -0.027 4.241 191 1HG1 ILE 17 2HG1 ILE 17 6.781 1.074 4.137 192 2HG1 ILE 17 1HG1 ILE 17 5.716 1.930 5.245 193 1HG2 ILE 17 3HG2 ILE 17 5.129 -0.690 7.131 194 2HG2 ILE 17 2HG2 ILE 17 4.253 0.776 6.689 195 3HG2 ILE 17 1HG2 ILE 17 3.609 -0.805 6.245 196 1HD1 ILE 17 1HD1 ILE 17 6.936 0.075 6.897 197 2HD1 ILE 17 3HD1 ILE 17 8.234 0.524 5.791 198 3HD1 ILE 17 2HD1 ILE 17 7.413 1.765 6.738 199 QG1 ILE 17 QG1 ILE 17 6.249 1.502 4.691 200 QG2 ILE 17 QG2 ILE 17 4.330 -0.239 6.688 201 QD1 ILE 17 QD1 ILE 17 7.528 0.788 6.476 202 H THR 18 H THR 18 6.156 -3.711 6.060 203 HA THR 18 HA THR 18 4.022 -5.044 4.507 204 HB THR 18 HB THR 18 4.767 -7.014 5.762 205 HG1 THR 18 1HG THR 18 6.510 -5.299 7.180 206 1HG2 THR 18 1HG2 THR 18 6.622 -5.272 4.315 207 2HG2 THR 18 3HG2 THR 18 7.444 -6.363 5.431 208 3HG2 THR 18 2HG2 THR 18 6.382 -7.013 4.183 209 QG2 THR 18 QG2 THR 18 6.816 -6.216 4.643 210 H ILE 19 H ILE 19 1.915 -4.961 5.185 211 HA ILE 19 HA ILE 19 1.372 -4.800 8.126 212 HB ILE 19 HB ILE 19 -0.286 -3.023 7.682 213 1HG1 ILE 19 2HG1 ILE 19 0.251 -1.980 5.219 214 2HG1 ILE 19 1HG1 ILE 19 0.414 -3.702 4.879 215 1HG2 ILE 19 3HG2 ILE 19 2.036 -2.403 8.249 216 2HG2 ILE 19 2HG2 ILE 19 2.455 -2.410 6.536 217 3HG2 ILE 19 1HG2 ILE 19 1.310 -1.222 7.159 218 1HD1 ILE 19 3HD1 ILE 19 -1.852 -3.761 6.345 219 2HD1 ILE 19 2HD1 ILE 19 -2.000 -2.146 5.652 220 3HD1 ILE 19 1HD1 ILE 19 -1.856 -3.549 4.594 221 QG1 ILE 19 QG1 ILE 19 0.332 -2.841 5.049 222 QG2 ILE 19 QG2 ILE 19 1.934 -2.012 7.315 223 QD1 ILE 19 QD1 ILE 19 -1.903 -3.152 5.530 224 H GLU 20 H GLU 20 -0.383 -6.021 8.768 225 HA GLU 20 HA GLU 20 -1.640 -7.786 6.770 226 1HB GLU 20 2HB GLU 20 -0.749 -8.136 9.285 227 2HB GLU 20 1HB GLU 20 -2.427 -7.731 9.647 228 1HG GLU 20 2HG GLU 20 -3.114 -9.482 7.953 229 2HG GLU 20 1HG GLU 20 -1.423 -9.976 7.882 230 QB GLU 20 QB GLU 20 -1.588 -7.933 9.466 231 QG GLU 20 QG GLU 20 -2.269 -9.729 7.917 232 H ALA 21 H ALA 21 -4.015 -7.996 6.661 233 HA ALA 21 HA ALA 21 -5.756 -5.983 7.849 234 1HB ALA 21 2HB ALA 21 -4.595 -5.692 5.098 235 2HB ALA 21 1HB ALA 21 -6.249 -5.143 5.375 236 3HB ALA 21 3HB ALA 21 -4.922 -4.449 6.306 237 QB ALA 21 QB ALA 21 -5.255 -5.095 5.593 238 H VAL 22 H VAL 22 -8.014 -6.187 6.871 239 HA VAL 22 HA VAL 22 -8.951 -8.832 6.812 240 HB VAL 22 HB VAL 22 -10.308 -6.810 7.205 241 1HG1 VAL 22 1HG1 VAL 22 -9.070 -5.549 5.302 242 2HG1 VAL 22 3HG1 VAL 22 -10.259 -6.292 4.232 243 3HG1 VAL 22 2HG1 VAL 22 -10.789 -5.219 5.527 244 1HG2 VAL 22 3HG2 VAL 22 -11.300 -8.995 6.270 245 2HG2 VAL 22 2HG2 VAL 22 -12.286 -7.542 6.103 246 3HG2 VAL 22 1HG2 VAL 22 -11.381 -8.157 4.719 247 QG1 VAL 22 QG1 VAL 22 -10.039 -5.687 5.020 248 QG2 VAL 22 QG2 VAL 22 -11.656 -8.231 5.697 249 QQG VAL 22 QQG VAL 22 -10.847 -6.959 5.359 250 H ASP 23 H ASP 23 -7.980 -6.743 4.125 251 HA ASP 23 HA ASP 23 -7.435 -9.035 2.390 252 1HB ASP 23 2HB ASP 23 -9.927 -7.405 2.248 253 2HB ASP 23 1HB ASP 23 -9.145 -7.775 0.710 254 QB ASP 23 QB ASP 23 -9.536 -7.590 1.479 255 H ALA 24 H ALA 24 -6.795 -8.068 0.109 256 HA ALA 24 HA ALA 24 -4.745 -6.121 0.493 257 1HB ALA 24 1HB ALA 24 -5.287 -7.921 -1.387 258 2HB ALA 24 3HB ALA 24 -6.045 -6.537 -2.178 259 3HB ALA 24 2HB ALA 24 -4.329 -6.486 -1.765 260 QB ALA 24 QB ALA 24 -5.220 -6.982 -1.777 261 H ALA 25 H ALA 25 -8.141 -5.817 -0.415 262 HA ALA 25 HA ALA 25 -8.234 -3.217 -1.483 263 1HB ALA 25 3HB ALA 25 -10.036 -5.059 -0.004 264 2HB ALA 25 2HB ALA 25 -10.534 -3.367 -0.052 265 3HB ALA 25 1HB ALA 25 -10.283 -4.255 -1.555 266 QB ALA 25 QB ALA 25 -10.284 -4.227 -0.537 267 H GLU 26 H GLU 26 -8.477 -4.213 1.942 268 HA GLU 26 HA GLU 26 -8.574 -1.537 3.022 269 1HB GLU 26 2HB GLU 26 -8.298 -4.334 3.929 270 2HB GLU 26 1HB GLU 26 -7.513 -3.163 4.987 271 1HG GLU 26 2HG GLU 26 -9.856 -1.879 4.553 272 2HG GLU 26 1HG GLU 26 -10.400 -3.550 4.405 273 QB GLU 26 QB GLU 26 -7.906 -3.748 4.458 274 QG GLU 26 QG GLU 26 -10.128 -2.715 4.479 275 H ALA 27 H ALA 27 -5.935 -3.885 2.505 276 HA ALA 27 HA ALA 27 -3.767 -2.457 3.637 277 1HB ALA 27 1HB ALA 27 -4.215 -4.527 1.565 278 2HB ALA 27 3HB ALA 27 -2.682 -3.661 1.426 279 3HB ALA 27 2HB ALA 27 -3.081 -4.522 2.916 280 QB ALA 27 QB ALA 27 -3.326 -4.237 1.969 281 H GLU 28 H GLU 28 -5.140 -2.250 0.346 282 HA GLU 28 HA GLU 28 -3.339 -0.340 -0.753 283 1HB GLU 28 2HB GLU 28 -5.263 -1.756 -1.793 284 2HB GLU 28 1HB GLU 28 -6.303 -0.411 -1.323 285 1HG GLU 28 2HG GLU 28 -4.667 1.116 -2.543 286 2HG GLU 28 1HG GLU 28 -3.937 -0.343 -3.214 287 QB GLU 28 QB GLU 28 -5.783 -1.084 -1.558 288 QG GLU 28 QG GLU 28 -4.302 0.387 -2.878 289 H LYS 29 H LYS 29 -6.320 0.095 1.166 290 HA LYS 29 HA LYS 29 -6.356 2.987 1.030 291 1HB LYS 29 2HB LYS 29 -7.476 0.967 3.003 292 2HB LYS 29 1HB LYS 29 -7.905 2.677 2.993 293 1HG LYS 29 2HG LYS 29 -8.203 1.731 0.319 294 2HG LYS 29 1HG LYS 29 -8.976 0.550 1.374 295 1HD LYS 29 2HD LYS 29 -10.712 2.069 1.032 296 2HD LYS 29 1HD LYS 29 -10.007 2.677 2.530 297 1HE LYS 29 2HE LYS 29 -9.048 4.523 1.490 298 2HE LYS 29 1HE LYS 29 -8.928 3.703 -0.080 299 1HZ LYS 29 2HZ LYS 29 -11.488 4.427 1.244 300 2HZ LYS 29 1HZ LYS 29 -10.759 5.343 0.014 301 3HZ LYS 29 3HZ LYS 29 -11.299 3.768 -0.310 302 QB LYS 29 QB LYS 29 -7.691 1.822 2.998 303 QG LYS 29 QG LYS 29 -8.590 1.140 0.847 304 QD LYS 29 QD LYS 29 -10.360 2.373 1.781 305 QE LYS 29 QE LYS 29 -8.988 4.113 0.705 306 QZ LYS 29 QZ LYS 29 -11.182 4.513 0.316 307 H ILE 30 H ILE 30 -5.236 0.696 3.544 308 HA ILE 30 HA ILE 30 -4.171 2.591 5.388 309 HB ILE 30 HB ILE 30 -3.265 -0.228 4.679 310 1HG1 ILE 30 2HG1 ILE 30 -5.011 0.463 7.017 311 2HG1 ILE 30 1HG1 ILE 30 -5.746 0.364 5.418 312 1HG2 ILE 30 3HG2 ILE 30 -1.908 1.506 6.275 313 2HG2 ILE 30 2HG2 ILE 30 -3.032 0.822 7.448 314 3HG2 ILE 30 1HG2 ILE 30 -1.945 -0.236 6.550 315 1HD1 ILE 30 3HD1 ILE 30 -3.906 -1.856 6.115 316 2HD1 ILE 30 2HD1 ILE 30 -5.406 -1.789 7.041 317 3HD1 ILE 30 1HD1 ILE 30 -5.459 -1.899 5.282 318 QG1 ILE 30 QG1 ILE 30 -5.378 0.413 6.218 319 QG2 ILE 30 QG2 ILE 30 -2.295 0.697 6.757 320 QD1 ILE 30 QD1 ILE 30 -4.924 -1.848 6.146 321 H PHE 31 H PHE 31 -2.780 1.039 2.523 322 HA PHE 31 HA PHE 31 -0.136 2.231 2.832 323 1HB PHE 31 2HB PHE 31 -1.670 0.688 0.745 324 2HB PHE 31 1HB PHE 31 -0.126 1.429 0.321 325 HD1 PHE 31 1HD PHE 31 1.556 1.136 2.617 326 HD2 PHE 31 2HD PHE 31 -1.394 -1.591 1.096 327 HE1 PHE 31 1HE PHE 31 2.755 -0.755 3.688 328 HE2 PHE 31 2HE PHE 31 -0.195 -3.481 2.167 329 1HZ PHE 31 HZ PHE 31 1.878 -3.064 3.462 330 QB PHE 31 QB PHE 31 -0.898 1.059 0.533 331 QG PHE 31 QD PHE 31 0.081 -0.228 1.857 332 QZ PHE 31 QE PHE 31 1.280 -2.118 2.927 333 QZ PHE 31 QR PHE 31 0.920 -1.551 2.606 334 H LYS 32 H LYS 32 -3.120 3.002 1.090 335 HA LYS 32 HA LYS 32 -1.981 5.249 -0.344 336 1HB LYS 32 2HB LYS 32 -4.706 4.057 0.045 337 2HB LYS 32 1HB LYS 32 -4.515 5.603 -0.776 338 1HG LYS 32 2HG LYS 32 -2.963 4.593 -2.382 339 2HG LYS 32 1HG LYS 32 -3.103 3.039 -1.561 340 1HD LYS 32 2HD LYS 32 -4.612 2.910 -3.399 341 2HD LYS 32 1HD LYS 32 -5.627 3.215 -1.989 342 1HE LYS 32 2HE LYS 32 -4.830 5.769 -2.971 343 2HE LYS 32 1HE LYS 32 -5.364 4.819 -4.371 344 1HZ LYS 32 1HZ LYS 32 -6.850 4.990 -1.804 345 2HZ LYS 32 3HZ LYS 32 -7.215 5.924 -3.173 346 3HZ LYS 32 2HZ LYS 32 -7.368 4.232 -3.234 347 QB LYS 32 QB LYS 32 -4.610 4.830 -0.365 348 QG LYS 32 QG LYS 32 -3.033 3.816 -1.972 349 QD LYS 32 QD LYS 32 -5.119 3.063 -2.694 350 QE LYS 32 QE LYS 32 -5.097 5.294 -3.671 351 QZ LYS 32 QZ LYS 32 -7.144 5.049 -2.737 352 H GLN 33 H GLN 33 -2.582 4.930 2.887 353 HA GLN 33 HA GLN 33 -3.600 7.753 3.195 354 1HB GLN 33 2HB GLN 33 -4.861 5.893 4.324 355 2HB GLN 33 1HB GLN 33 -3.380 5.432 5.164 356 1HG GLN 33 2HG GLN 33 -4.314 6.799 6.774 357 2HG GLN 33 1HG GLN 33 -3.405 8.006 5.862 358 1HE2 GLN 33 2HE2 GLN 33 -6.305 9.579 4.528 359 2HE2 GLN 33 1HE2 GLN 33 -4.619 9.427 4.401 360 QB GLN 33 QB GLN 33 -4.120 5.662 4.744 361 QG GLN 33 QG GLN 33 -3.860 7.403 6.318 362 QE2 GLN 33 QE2 GLN 33 -5.462 9.503 4.465 363 H TYR 34 H TYR 34 -1.322 5.326 4.229 364 HA TYR 34 HA TYR 34 0.567 6.749 5.760 365 1HB TYR 34 2HB TYR 34 0.656 4.400 5.631 366 2HB TYR 34 1HB TYR 34 0.400 4.398 3.881 367 HD1 TYR 34 1HD TYR 34 2.924 5.757 6.349 368 HD2 TYR 34 2HD TYR 34 2.254 3.731 2.621 369 HE1 TYR 34 1HE TYR 34 5.374 5.549 6.021 370 HE2 TYR 34 2HE TYR 34 4.703 3.524 2.293 371 HH TYR 34 HH TYR 34 6.766 3.477 3.841 372 QB TYR 34 QB TYR 34 0.528 4.399 4.756 373 QG TYR 34 QD TYR 34 2.589 4.744 4.485 374 QZ TYR 34 QE TYR 34 5.039 4.537 4.157 375 QR TYR 34 QR TYR 34 3.814 4.640 4.321 376 H ALA 35 H ALA 35 0.369 6.248 2.226 377 HA ALA 35 HA ALA 35 2.708 7.689 1.410 378 1HB ALA 35 1HB ALA 35 0.109 6.791 0.237 379 2HB ALA 35 3HB ALA 35 1.019 8.009 -0.657 380 3HB ALA 35 2HB ALA 35 1.756 6.444 -0.295 381 QB ALA 35 QB ALA 35 0.961 7.081 -0.238 382 H ASN 36 H ASN 36 -0.707 8.769 1.579 383 HA ASN 36 HA ASN 36 -0.320 11.478 0.838 384 1HB ASN 36 2HB ASN 36 -2.312 9.948 2.484 385 2HB ASN 36 1HB ASN 36 -2.454 11.700 2.341 386 1HD2 ASN 36 2HD2 ASN 36 -3.104 9.366 -0.975 387 2HD2 ASN 36 1HD2 ASN 36 -2.282 8.712 0.358 388 QB ASN 36 QB ASN 36 -2.383 10.824 2.413 389 QD2 ASN 36 QD2 ASN 36 -2.693 9.039 -0.309 390 H ASP 37 H ASP 37 -0.443 10.076 4.138 391 HA ASP 37 HA ASP 37 0.017 12.462 5.594 392 1HB ASP 37 2HB ASP 37 -0.608 10.054 6.325 393 2HB ASP 37 1HB ASP 37 1.133 9.768 6.357 394 QB ASP 37 QB ASP 37 0.262 9.911 6.341 395 H ASN 38 H ASN 38 2.233 10.435 3.844 396 HA ASN 38 HA ASN 38 4.600 11.778 4.930 397 1HB ASN 38 2HB ASN 38 3.952 9.385 3.275 398 2HB ASN 38 1HB ASN 38 5.554 10.095 3.077 399 1HD2 ASN 38 2HD2 ASN 38 6.736 8.607 6.029 400 2HD2 ASN 38 1HD2 ASN 38 7.076 9.243 4.492 401 QB ASN 38 QB ASN 38 4.753 9.740 3.176 402 QD2 ASN 38 QD2 ASN 38 6.906 8.925 5.260 403 H GLY 39 H GLY 39 2.593 11.745 2.055 404 1HA GLY 39 2HA GLY 39 2.553 13.747 0.619 405 2HA GLY 39 1HA GLY 39 4.287 13.919 0.902 406 QA GLY 39 QA GLY 39 3.420 13.833 0.761 407 H ILE 40 H ILE 40 2.546 10.920 0.134 408 HA ILE 40 HA ILE 40 4.275 10.639 -2.285 409 HB ILE 40 HB ILE 40 3.142 8.888 -0.165 410 1HG1 ILE 40 2HG1 ILE 40 5.367 7.760 -0.589 411 2HG1 ILE 40 1HG1 ILE 40 5.690 9.043 -1.756 412 1HG2 ILE 40 2HG2 ILE 40 2.155 7.911 -2.260 413 2HG2 ILE 40 1HG2 ILE 40 3.795 7.741 -2.887 414 3HG2 ILE 40 3HG2 ILE 40 3.302 6.851 -1.445 415 1HD1 ILE 40 3HD1 ILE 40 4.802 9.673 1.046 416 2HD1 ILE 40 2HD1 ILE 40 6.513 9.410 0.669 417 3HD1 ILE 40 1HD1 ILE 40 5.617 10.723 -0.119 418 QG1 ILE 40 QG1 ILE 40 5.529 8.402 -1.172 419 QG2 ILE 40 QG2 ILE 40 3.084 7.501 -2.197 420 QD1 ILE 40 QD1 ILE 40 5.644 9.935 0.532 421 H ASP 41 H ASP 41 3.319 10.694 -4.235 422 HA ASP 41 HA ASP 41 0.580 9.789 -4.723 423 1HB ASP 41 2HB ASP 41 0.645 12.178 -3.567 424 2HB ASP 41 1HB ASP 41 0.997 12.718 -5.209 425 QB ASP 41 QB ASP 41 0.821 12.448 -4.388 426 H GLY 42 H GLY 42 1.168 8.699 -6.591 427 1HA GLY 42 2HA GLY 42 1.753 10.236 -8.982 428 2HA GLY 42 1HA GLY 42 3.136 9.277 -8.458 429 QA GLY 42 QA GLY 42 2.444 9.756 -8.720 430 H GLU 43 H GLU 43 2.299 6.896 -7.763 431 HA GLU 43 HA GLU 43 0.393 5.914 -9.862 432 1HB GLU 43 2HB GLU 43 2.844 5.779 -10.504 433 2HB GLU 43 1HB GLU 43 3.073 4.674 -9.145 434 1HG GLU 43 2HG GLU 43 1.973 2.954 -10.185 435 2HG GLU 43 1HG GLU 43 0.829 4.031 -10.988 436 QB GLU 43 QB GLU 43 2.959 5.227 -9.825 437 QG GLU 43 QG GLU 43 1.401 3.492 -10.587 438 H TRP 44 H TRP 44 -0.376 3.680 -9.372 439 HA TRP 44 HA TRP 44 0.072 2.514 -6.701 440 1HB TRP 44 2HB TRP 44 -2.351 4.166 -7.427 441 2HB TRP 44 1HB TRP 44 -2.556 2.756 -6.381 442 HD1 TRP 44 HD TRP 44 -1.343 6.310 -6.335 443 HE1 TRP 44 1HE TRP 44 -0.474 6.866 -3.970 444 HE3 TRP 44 3HE TRP 44 -1.380 1.647 -4.316 445 HZ2 TRP 44 2HZ TRP 44 0.127 5.492 -1.529 446 HZ3 TRP 44 3HZ TRP 44 -0.653 1.287 -1.959 447 HH2 TRP 44 HH TRP 44 0.101 3.207 -0.576 448 QB TRP 44 QB TRP 44 -2.454 3.461 -6.904 449 H THR 45 H THR 45 0.146 0.394 -7.284 450 HA THR 45 HA THR 45 -2.108 -0.733 -8.873 451 HB THR 45 HB THR 45 -0.582 -1.822 -10.411 452 HG1 THR 45 1HG THR 45 1.405 -0.662 -8.769 453 1HG2 THR 45 2HG2 THR 45 -1.181 0.556 -10.891 454 2HG2 THR 45 1HG2 THR 45 0.304 1.055 -10.078 455 3HG2 THR 45 3HG2 THR 45 0.387 0.098 -11.558 456 QG2 THR 45 QG2 THR 45 -0.163 0.570 -10.842 457 H TYR 46 H TYR 46 -2.743 -2.637 -7.969 458 HA TYR 46 HA TYR 46 -1.169 -3.748 -5.729 459 1HB TYR 46 2HB TYR 46 -3.536 -3.397 -5.428 460 2HB TYR 46 1HB TYR 46 -3.913 -4.272 -6.914 461 HD1 TYR 46 1HD TYR 46 -1.842 -4.903 -3.839 462 HD2 TYR 46 2HD TYR 46 -4.786 -6.406 -6.579 463 HE1 TYR 46 1HE TYR 46 -1.916 -7.038 -2.586 464 HE2 TYR 46 2HE TYR 46 -4.863 -8.542 -5.321 465 HH TYR 46 HH TYR 46 -4.198 -9.091 -2.588 466 QB TYR 46 QB TYR 46 -3.725 -3.835 -6.171 467 QG TYR 46 QD TYR 46 -3.314 -5.654 -5.209 468 QZ TYR 46 QE TYR 46 -3.390 -7.790 -3.953 469 QR TYR 46 QR TYR 46 -3.352 -6.722 -4.581 470 H ASP 47 H ASP 47 -0.485 -5.962 -5.685 471 HA ASP 47 HA ASP 47 -0.356 -7.322 -8.356 472 1HB ASP 47 2HB ASP 47 1.720 -7.121 -6.146 473 2HB ASP 47 1HB ASP 47 1.914 -8.060 -7.625 474 QB ASP 47 QB ASP 47 1.817 -7.590 -6.886 475 H ASP 48 H ASP 48 -1.930 -8.893 -8.014 476 HA ASP 48 HA ASP 48 -2.371 -10.246 -5.501 477 1HB ASP 48 2HB ASP 48 -3.998 -9.891 -7.394 478 2HB ASP 48 1HB ASP 48 -3.108 -11.105 -8.312 479 QB ASP 48 QB ASP 48 -3.553 -10.498 -7.853 480 H ALA 49 H ALA 49 0.154 -10.590 -7.730 481 HA ALA 49 HA ALA 49 0.512 -13.495 -7.399 482 1HB ALA 49 1HB ALA 49 2.013 -11.254 -8.783 483 2HB ALA 49 3HB ALA 49 2.586 -12.922 -8.778 484 3HB ALA 49 2HB ALA 49 1.045 -12.521 -9.536 485 QB ALA 49 QB ALA 49 1.881 -12.232 -9.032 486 H THR 50 H THR 50 1.708 -10.458 -6.081 487 HA THR 50 HA THR 50 3.488 -12.011 -4.233 488 HB THR 50 HB THR 50 4.943 -9.985 -4.306 489 HG1 THR 50 1HG THR 50 4.415 -8.502 -6.049 490 1HG2 THR 50 3HG2 THR 50 5.039 -11.979 -5.973 491 2HG2 THR 50 2HG2 THR 50 4.392 -10.828 -7.142 492 3HG2 THR 50 1HG2 THR 50 5.944 -10.516 -6.364 493 QG2 THR 50 QG2 THR 50 5.125 -11.108 -6.493 494 H LYS 51 H LYS 51 0.612 -10.405 -4.358 495 HA LYS 51 HA LYS 51 -0.705 -9.252 -2.777 496 1HB LYS 51 2HB LYS 51 1.363 -10.593 -1.000 497 2HB LYS 51 1HB LYS 51 -0.146 -9.892 -0.417 498 1HG LYS 51 2HG LYS 51 -0.458 -11.772 -2.678 499 2HG LYS 51 1HG LYS 51 0.139 -12.506 -1.190 500 1HD LYS 51 2HD LYS 51 -1.755 -11.690 0.061 501 2HD LYS 51 1HD LYS 51 -2.299 -10.713 -1.303 502 1HE LYS 51 2HE LYS 51 -2.178 -13.193 -2.463 503 2HE LYS 51 1HE LYS 51 -2.671 -13.602 -0.808 504 1HZ LYS 51 2HZ LYS 51 -3.914 -11.495 -2.497 505 2HZ LYS 51 1HZ LYS 51 -4.589 -13.024 -2.190 506 3HZ LYS 51 3HZ LYS 51 -4.387 -11.918 -0.921 507 QB LYS 51 QB LYS 51 0.608 -10.243 -0.709 508 QG LYS 51 QG LYS 51 -0.159 -12.139 -1.934 509 QD LYS 51 QD LYS 51 -2.027 -11.201 -0.621 510 QE LYS 51 QE LYS 51 -2.424 -13.397 -1.635 511 QZ LYS 51 QZ LYS 51 -4.296 -12.146 -1.869 512 H THR 52 H THR 52 1.408 -7.729 -4.030 513 HA THR 52 HA THR 52 1.992 -5.778 -1.813 514 HB THR 52 HB THR 52 3.817 -6.608 -4.091 515 HG1 THR 52 1HG THR 52 3.864 -8.267 -2.715 516 1HG2 THR 52 3HG2 THR 52 3.924 -4.545 -1.947 517 2HG2 THR 52 2HG2 THR 52 5.415 -5.426 -2.283 518 3HG2 THR 52 1HG2 THR 52 4.617 -4.521 -3.569 519 QG2 THR 52 QG2 THR 52 4.652 -4.831 -2.600 520 H PHE 53 H PHE 53 1.840 -3.586 -2.409 521 HA PHE 53 HA PHE 53 0.535 -3.035 -5.031 522 1HB PHE 53 2HB PHE 53 0.900 -1.469 -2.457 523 2HB PHE 53 1HB PHE 53 0.061 -0.837 -3.873 524 HD1 PHE 53 1HD PHE 53 0.052 -3.691 -1.455 525 HD2 PHE 53 2HD PHE 53 -2.223 -1.317 -4.230 526 HE1 PHE 53 1HE PHE 53 -2.034 -4.833 -0.726 527 HE2 PHE 53 2HE PHE 53 -4.296 -2.464 -3.497 528 1HZ PHE 53 HZ PHE 53 -4.201 -4.218 -1.753 529 QB PHE 53 QB PHE 53 0.480 -1.153 -3.165 530 QG PHE 53 QD PHE 53 -1.085 -2.504 -2.842 531 QZ PHE 53 QE PHE 53 -3.165 -3.649 -2.112 532 QZ PHE 53 QR PHE 53 -2.540 -3.305 -2.332 533 H THR 54 H THR 54 1.266 -0.758 -5.996 534 HA THR 54 HA THR 54 4.216 -0.376 -5.600 535 HB THR 54 HB THR 54 3.243 -0.045 -8.369 536 HG1 THR 54 1HG THR 54 3.245 -2.607 -7.150 537 1HG2 THR 54 3HG2 THR 54 5.634 -0.065 -7.509 538 2HG2 THR 54 2HG2 THR 54 5.445 -1.802 -7.272 539 3HG2 THR 54 1HG2 THR 54 5.318 -1.114 -8.891 540 QG2 THR 54 QG2 THR 54 5.465 -0.994 -7.891 541 H VAL 55 H VAL 55 4.243 1.664 -4.797 542 HA VAL 55 HA VAL 55 2.453 3.678 -6.072 543 HB VAL 55 HB VAL 55 1.617 3.594 -3.915 544 1HG1 VAL 55 3HG1 VAL 55 4.368 2.707 -3.111 545 2HG1 VAL 55 2HG1 VAL 55 3.253 3.323 -1.891 546 3HG1 VAL 55 1HG1 VAL 55 2.818 1.909 -2.853 547 1HG2 VAL 55 3HG2 VAL 55 2.558 5.897 -4.262 548 2HG2 VAL 55 2HG2 VAL 55 2.433 5.437 -2.561 549 3HG2 VAL 55 1HG2 VAL 55 4.007 5.395 -3.376 550 QG1 VAL 55 QG1 VAL 55 3.480 2.646 -2.619 551 QG2 VAL 55 QG2 VAL 55 2.999 5.576 -3.400 552 QQG VAL 55 QQG VAL 55 3.240 4.111 -3.009 553 H THR 56 H THR 56 3.275 5.806 -6.385 554 HA THR 56 HA THR 56 6.098 6.384 -5.845 555 HB THR 56 HB THR 56 5.960 4.822 -7.876 556 HG1 THR 56 1HG THR 56 7.473 6.161 -9.027 557 1HG2 THR 56 1HG2 THR 56 4.018 6.582 -8.744 558 2HG2 THR 56 3HG2 THR 56 5.430 7.046 -9.693 559 3HG2 THR 56 2HG2 THR 56 4.845 5.381 -9.737 560 QG2 THR 56 QG2 THR 56 4.764 6.336 -9.391 561 H GLU 57 H GLU 57 6.513 8.506 -7.521 562 HA GLU 57 HA GLU 57 4.132 10.278 -7.063 563 1HB GLU 57 2HB GLU 57 6.139 10.431 -5.455 564 2HB GLU 57 1HB GLU 57 7.036 11.099 -6.819 565 1HG GLU 57 2HG GLU 57 5.351 12.885 -7.058 566 2HG GLU 57 1HG GLU 57 4.453 12.221 -5.692 567 QB GLU 57 QB GLU 57 6.588 10.765 -6.137 568 QG GLU 57 QG GLU 57 4.902 12.553 -6.375 No H/Q in entry = 568 Start of MODEL 33 1 1H MET 1 1HT MET 1 -0.070 -12.407 8.478 2 2H MET 1 3HT MET 1 -1.555 -12.074 9.226 3 3H MET 1 2HT MET 1 -0.627 -13.402 9.737 4 HA MET 1 HA MET 1 -1.043 -14.600 7.751 5 1HB MET 1 2HB MET 1 -3.183 -13.305 9.329 6 2HB MET 1 1HB MET 1 -3.727 -14.028 7.815 7 1HG MET 1 2HG MET 1 -2.770 -16.172 8.429 8 2HG MET 1 1HG MET 1 -2.037 -15.474 9.873 9 1HE MET 1 2HE MET 1 -2.628 -16.729 11.403 10 2HE MET 1 1HE MET 1 -3.562 -15.589 12.369 11 3HE MET 1 3HE MET 1 -4.208 -17.200 12.025 12 QB MET 1 QB MET 1 -3.455 -13.666 8.572 13 QG MET 1 QG MET 1 -2.403 -15.823 9.151 14 QE MET 1 QE MET 1 -3.466 -16.506 11.932 15 H THR 2 H THR 2 -2.396 -11.297 7.572 16 HA THR 2 HA THR 2 -2.295 -11.504 4.578 17 HB THR 2 HB THR 2 -4.067 -9.809 6.369 18 HG1 THR 2 1HG THR 2 -4.829 -11.805 6.607 19 1HG2 THR 2 3HG2 THR 2 -3.685 -10.077 3.426 20 2HG2 THR 2 2HG2 THR 2 -5.340 -9.905 4.011 21 3HG2 THR 2 1HG2 THR 2 -4.143 -8.663 4.376 22 QG2 THR 2 QG2 THR 2 -4.389 -9.548 3.938 23 H THR 3 H THR 3 -0.041 -10.705 6.244 24 HA THR 3 HA THR 3 0.230 -7.866 6.506 25 HB THR 3 HB THR 3 2.418 -9.863 5.871 26 HG1 THR 3 1HG THR 3 1.889 -10.839 7.630 27 1HG2 THR 3 1HG2 THR 3 2.601 -7.197 6.297 28 2HG2 THR 3 3HG2 THR 3 2.667 -7.772 7.964 29 3HG2 THR 3 2HG2 THR 3 3.854 -8.338 6.788 30 QG2 THR 3 QG2 THR 3 3.041 -7.769 7.016 31 H PHE 4 H PHE 4 -0.671 -7.003 4.502 32 HA PHE 4 HA PHE 4 0.437 -7.655 1.900 33 1HB PHE 4 2HB PHE 4 -1.430 -5.682 3.129 34 2HB PHE 4 1HB PHE 4 -0.735 -5.243 1.568 35 HD1 PHE 4 2HD PHE 4 -0.825 -7.034 -0.306 36 HD2 PHE 4 1HD PHE 4 -3.269 -7.151 3.222 37 HE1 PHE 4 2HE PHE 4 -2.398 -8.568 -1.450 38 HE2 PHE 4 1HE PHE 4 -4.848 -8.681 2.070 39 1HZ PHE 4 HZ PHE 4 -4.411 -9.393 -0.260 40 QB PHE 4 QB PHE 4 -1.083 -5.462 2.348 41 QG PHE 4 QD PHE 4 -2.047 -7.093 1.458 42 QZ PHE 4 QE PHE 4 -3.623 -8.624 0.310 43 QZ PHE 4 QR PHE 4 -3.150 -8.165 0.655 44 H LYS 5 H LYS 5 2.176 -6.716 0.857 45 HA LYS 5 HA LYS 5 3.825 -4.785 2.417 46 1HB LYS 5 2HB LYS 5 4.274 -6.672 0.093 47 2HB LYS 5 1HB LYS 5 5.490 -5.489 0.573 48 1HG LYS 5 2HG LYS 5 6.064 -6.649 2.440 49 2HG LYS 5 1HG LYS 5 4.391 -7.057 2.818 50 1HD LYS 5 2HD LYS 5 4.658 -8.604 0.665 51 2HD LYS 5 1HD LYS 5 6.362 -8.522 1.112 52 1HE LYS 5 2HE LYS 5 5.871 -9.371 3.347 53 2HE LYS 5 1HE LYS 5 4.129 -9.335 3.008 54 1HZ LYS 5 1HZ LYS 5 6.131 -10.863 1.430 55 2HZ LYS 5 3HZ LYS 5 5.113 -11.542 2.605 56 3HZ LYS 5 2HZ LYS 5 4.448 -10.865 1.196 57 QB LYS 5 QB LYS 5 4.882 -6.081 0.333 58 QG LYS 5 QG LYS 5 5.228 -6.853 2.629 59 QD LYS 5 QD LYS 5 5.510 -8.563 0.889 60 QE LYS 5 QE LYS 5 5.000 -9.353 3.178 61 QZ LYS 5 QZ LYS 5 5.231 -11.090 1.744 62 H LEU 6 H LEU 6 5.129 -3.273 0.753 63 HA LEU 6 HA LEU 6 3.565 -2.334 -1.549 64 1HB LEU 6 2HB LEU 6 2.518 -1.502 0.681 65 2HB LEU 6 1HB LEU 6 3.925 -0.458 0.795 66 HG LEU 6 HG LEU 6 1.538 -0.247 -0.955 67 1HD1 LEU 6 1HD1 LEU 6 3.335 1.441 0.650 68 2HD1 LEU 6 3HD1 LEU 6 2.785 2.204 -0.840 69 3HD1 LEU 6 2HD1 LEU 6 1.612 1.612 0.329 70 1HD2 LEU 6 1HD2 LEU 6 3.246 -0.746 -2.697 71 2HD2 LEU 6 3HD2 LEU 6 2.720 0.936 -2.778 72 3HD2 LEU 6 2HD2 LEU 6 4.272 0.532 -2.048 73 QB LEU 6 QB LEU 6 3.221 -0.980 0.738 74 QD1 LEU 6 QD1 LEU 6 2.577 1.752 0.046 75 QD2 LEU 6 QD2 LEU 6 3.413 0.240 -2.508 76 QQD LEU 6 QQD LEU 6 2.995 0.996 -1.231 77 H ILE 7 H ILE 7 5.191 -1.849 -2.964 78 HA ILE 7 HA ILE 7 7.825 -0.904 -1.963 79 HB ILE 7 HB ILE 7 6.767 -1.618 -4.725 80 1HG1 ILE 7 2HG1 ILE 7 8.638 -3.222 -2.969 81 2HG1 ILE 7 1HG1 ILE 7 6.889 -3.453 -2.937 82 1HG2 ILE 7 2HG2 ILE 7 8.728 -0.067 -4.723 83 2HG2 ILE 7 1HG2 ILE 7 9.624 -1.253 -3.773 84 3HG2 ILE 7 3HG2 ILE 7 9.107 -1.647 -5.412 85 1HD1 ILE 7 3HD1 ILE 7 8.238 -3.442 -5.602 86 2HD1 ILE 7 2HD1 ILE 7 8.444 -4.867 -4.582 87 3HD1 ILE 7 1HD1 ILE 7 6.827 -4.352 -5.063 88 QG1 ILE 7 QG1 ILE 7 7.764 -3.338 -2.953 89 QG2 ILE 7 QG2 ILE 7 9.153 -0.989 -4.636 90 QD1 ILE 7 QD1 ILE 7 7.836 -4.221 -5.082 91 H ILE 8 H ILE 8 7.940 1.327 -1.660 92 HA ILE 8 HA ILE 8 6.140 3.056 -3.220 93 HB ILE 8 HB ILE 8 8.131 3.647 -1.003 94 1HG1 ILE 8 2HG1 ILE 8 5.931 4.159 0.217 95 2HG1 ILE 8 1HG1 ILE 8 5.117 3.349 -1.115 96 1HG2 ILE 8 3HG2 ILE 8 6.238 5.390 -2.588 97 2HG2 ILE 8 2HG2 ILE 8 6.723 5.831 -0.950 98 3HG2 ILE 8 1HG2 ILE 8 7.941 5.678 -2.218 99 1HD1 ILE 8 2HD1 ILE 8 7.381 1.982 0.279 100 2HD1 ILE 8 1HD1 ILE 8 5.775 1.975 1.009 101 3HD1 ILE 8 3HD1 ILE 8 6.016 1.287 -0.597 102 QG1 ILE 8 QG1 ILE 8 5.524 3.754 -0.449 103 QG2 ILE 8 QG2 ILE 8 6.967 5.633 -1.919 104 QD1 ILE 8 QD1 ILE 8 6.391 1.748 0.230 105 H ASN 9 H ASN 9 6.819 3.847 -5.172 106 HA ASN 9 HA ASN 9 9.747 3.982 -5.743 107 1HB ASN 9 2HB ASN 9 8.263 2.657 -7.217 108 2HB ASN 9 1HB ASN 9 7.287 4.092 -7.522 109 1HD2 ASN 9 2HD2 ASN 9 9.466 5.345 -9.992 110 2HD2 ASN 9 1HD2 ASN 9 7.990 5.506 -9.169 111 QB ASN 9 QB ASN 9 7.775 3.375 -7.370 112 QD2 ASN 9 QD2 ASN 9 8.728 5.425 -9.580 113 H GLY 10 H GLY 10 9.150 6.024 -4.099 114 1HA GLY 10 2HA GLY 10 9.116 8.388 -5.908 115 2HA GLY 10 1HA GLY 10 8.024 8.368 -4.524 116 QA GLY 10 QA GLY 10 8.570 8.378 -5.216 117 H LYS 11 H LYS 11 9.751 10.410 -4.508 118 HA LYS 11 HA LYS 11 12.326 9.870 -3.314 119 1HB LYS 11 2HB LYS 11 12.354 12.304 -2.999 120 2HB LYS 11 1HB LYS 11 11.694 11.916 -4.586 121 1HG LYS 11 2HG LYS 11 9.384 12.117 -3.605 122 2HG LYS 11 1HG LYS 11 10.123 12.667 -2.101 123 1HD LYS 11 2HD LYS 11 11.010 14.624 -3.136 124 2HD LYS 11 1HD LYS 11 10.671 14.009 -4.754 125 1HE LYS 11 2HE LYS 11 8.417 14.526 -4.628 126 2HE LYS 11 1HE LYS 11 8.361 14.300 -2.868 127 1HZ LYS 11 1HZ LYS 11 9.792 16.274 -2.649 128 2HZ LYS 11 3HZ LYS 11 9.685 16.527 -4.322 129 3HZ LYS 11 2HZ LYS 11 8.293 16.642 -3.356 130 QB LYS 11 QB LYS 11 12.024 12.110 -3.792 131 QG LYS 11 QG LYS 11 9.754 12.392 -2.853 132 QD LYS 11 QD LYS 11 10.840 14.317 -3.945 133 QE LYS 11 QE LYS 11 8.389 14.413 -3.748 134 QZ LYS 11 QZ LYS 11 9.257 16.481 -3.442 135 H THR 12 H THR 12 9.149 10.755 -1.947 136 HA THR 12 HA THR 12 10.119 10.851 0.802 137 HB THR 12 HB THR 12 7.537 10.804 1.152 138 HG1 THR 12 1HG THR 12 6.520 11.424 -0.895 139 1HG2 THR 12 1HG2 THR 12 9.157 12.878 -0.288 140 2HG2 THR 12 3HG2 THR 12 7.439 13.158 -0.009 141 3HG2 THR 12 2HG2 THR 12 8.525 12.905 1.358 142 QG2 THR 12 QG2 THR 12 8.374 12.980 0.353 143 H LEU 13 H LEU 13 10.737 9.043 1.845 144 HA LEU 13 HA LEU 13 10.771 6.844 2.635 145 1HB LEU 13 2HB LEU 13 8.724 6.368 3.511 146 2HB LEU 13 1HB LEU 13 8.164 7.819 2.696 147 HG LEU 13 HG LEU 13 7.780 6.249 0.663 148 1HD1 LEU 13 3HD1 LEU 13 8.928 4.389 2.351 149 2HD1 LEU 13 2HD1 LEU 13 7.208 4.063 2.555 150 3HD1 LEU 13 1HD1 LEU 13 7.933 3.993 0.950 151 1HD2 LEU 13 2HD2 LEU 13 6.092 7.337 2.327 152 2HD2 LEU 13 1HD2 LEU 13 5.532 6.001 1.319 153 3HD2 LEU 13 3HD2 LEU 13 5.963 5.713 3.005 154 QB LEU 13 QB LEU 13 8.444 7.093 3.103 155 QD1 LEU 13 QD1 LEU 13 8.023 4.148 1.952 156 QD2 LEU 13 QD2 LEU 13 5.862 6.350 2.217 157 QQD LEU 13 QQD LEU 13 6.943 5.249 2.085 158 H LYS 14 H LYS 14 10.872 4.605 1.838 159 HA LYS 14 HA LYS 14 10.130 3.906 -0.849 160 1HB LYS 14 2HB LYS 14 12.447 3.872 -1.770 161 2HB LYS 14 1HB LYS 14 11.933 5.501 -1.335 162 1HG LYS 14 2HG LYS 14 13.774 5.665 -0.043 163 2HG LYS 14 1HG LYS 14 13.074 4.443 1.017 164 1HD LYS 14 2HD LYS 14 15.291 3.712 0.321 165 2HD LYS 14 1HD LYS 14 14.083 2.673 -0.438 166 1HE LYS 14 2HE LYS 14 14.615 3.398 -2.539 167 2HE LYS 14 1HE LYS 14 14.799 5.082 -2.010 168 1HZ LYS 14 2HZ LYS 14 16.879 4.479 -0.932 169 2HZ LYS 14 1HZ LYS 14 16.715 2.875 -1.465 170 3HZ LYS 14 3HZ LYS 14 16.946 4.121 -2.592 171 QB LYS 14 QB LYS 14 12.190 4.686 -1.553 172 QG LYS 14 QG LYS 14 13.424 5.054 0.487 173 QD LYS 14 QD LYS 14 14.687 3.193 -0.059 174 QE LYS 14 QE LYS 14 14.707 4.240 -2.274 175 QZ LYS 14 QZ LYS 14 16.846 3.825 -1.663 176 H GLY 15 H GLY 15 9.889 1.720 -0.786 177 1HA GLY 15 2HA GLY 15 11.341 -0.400 -0.421 178 2HA GLY 15 1HA GLY 15 11.466 0.191 1.237 179 QA GLY 15 QA GLY 15 11.404 -0.105 0.408 180 H GLU 16 H GLU 16 10.415 -1.838 1.875 181 HA GLU 16 HA GLU 16 7.479 -1.950 1.273 182 1HB GLU 16 2HB GLU 16 9.661 -3.911 1.863 183 2HB GLU 16 1HB GLU 16 8.026 -4.326 2.378 184 1HG GLU 16 2HG GLU 16 7.867 -5.137 0.244 185 2HG GLU 16 1HG GLU 16 7.503 -3.453 -0.132 186 QB GLU 16 QB GLU 16 8.843 -4.118 2.121 187 QG GLU 16 QG GLU 16 7.685 -4.295 0.056 188 H ILE 17 H ILE 17 6.018 -2.035 3.022 189 HA ILE 17 HA ILE 17 7.173 -1.393 5.714 190 HB ILE 17 HB ILE 17 4.495 -0.722 4.453 191 1HG1 ILE 17 2HG1 ILE 17 6.386 0.491 3.422 192 2HG1 ILE 17 1HG1 ILE 17 5.381 1.585 4.368 193 1HG2 ILE 17 3HG2 ILE 17 4.425 -0.951 6.931 194 2HG2 ILE 17 2HG2 ILE 17 5.719 0.240 7.056 195 3HG2 ILE 17 1HG2 ILE 17 4.149 0.709 6.404 196 1HD1 ILE 17 3HD1 ILE 17 7.002 1.223 6.298 197 2HD1 ILE 17 2HD1 ILE 17 8.059 0.406 5.147 198 3HD1 ILE 17 1HD1 ILE 17 7.658 2.107 4.920 199 QG1 ILE 17 QG1 ILE 17 5.883 1.038 3.895 200 QG2 ILE 17 QG2 ILE 17 4.764 -0.001 6.797 201 QD1 ILE 17 QD1 ILE 17 7.573 1.245 5.455 202 H THR 18 H THR 18 5.262 -3.671 3.930 203 HA THR 18 HA THR 18 3.954 -5.524 4.563 204 HB THR 18 HB THR 18 5.102 -6.865 6.285 205 HG1 THR 18 1HG THR 18 6.729 -5.967 7.486 206 1HG2 THR 18 1HG2 THR 18 6.496 -5.511 4.067 207 2HG2 THR 18 3HG2 THR 18 7.560 -6.240 5.269 208 3HG2 THR 18 2HG2 THR 18 6.364 -7.230 4.435 209 QG2 THR 18 QG2 THR 18 6.807 -6.327 4.590 210 H ILE 19 H ILE 19 1.913 -4.703 5.162 211 HA ILE 19 HA ILE 19 1.522 -4.299 8.112 212 HB ILE 19 HB ILE 19 -0.139 -2.574 7.556 213 1HG1 ILE 19 2HG1 ILE 19 0.113 -1.857 4.967 214 2HG1 ILE 19 1HG1 ILE 19 0.337 -3.597 4.795 215 1HG2 ILE 19 1HG2 ILE 19 2.512 -2.197 6.133 216 2HG2 ILE 19 3HG2 ILE 19 1.407 -0.894 6.571 217 3HG2 ILE 19 2HG2 ILE 19 2.181 -1.855 7.831 218 1HD1 ILE 19 2HD1 ILE 19 -1.802 -3.507 6.498 219 2HD1 ILE 19 1HD1 ILE 19 -2.086 -2.066 5.519 220 3HD1 ILE 19 3HD1 ILE 19 -1.938 -3.645 4.745 221 QG1 ILE 19 QG1 ILE 19 0.225 -2.727 4.881 222 QG2 ILE 19 QG2 ILE 19 2.034 -1.649 6.845 223 QD1 ILE 19 QD1 ILE 19 -1.942 -3.073 5.587 224 H GLU 20 H GLU 20 -0.238 -5.355 9.011 225 HA GLU 20 HA GLU 20 -1.471 -7.510 7.466 226 1HB GLU 20 2HB GLU 20 -1.849 -6.452 10.285 227 2HB GLU 20 1HB GLU 20 -2.547 -7.957 9.684 228 1HG GLU 20 2HG GLU 20 0.385 -7.571 9.297 229 2HG GLU 20 1HG GLU 20 -0.174 -7.893 10.938 230 QB GLU 20 QB GLU 20 -2.198 -7.204 9.985 231 QG GLU 20 QG GLU 20 0.105 -7.732 10.117 232 H ALA 21 H ALA 21 -3.724 -7.714 7.016 233 HA ALA 21 HA ALA 21 -5.636 -5.606 7.657 234 1HB ALA 21 1HB ALA 21 -4.331 -5.820 4.932 235 2HB ALA 21 3HB ALA 21 -5.870 -4.993 5.176 236 3HB ALA 21 2HB ALA 21 -4.415 -4.403 5.981 237 QB ALA 21 QB ALA 21 -4.872 -5.072 5.363 238 H VAL 22 H VAL 22 -7.787 -6.151 6.805 239 HA VAL 22 HA VAL 22 -8.469 -8.882 6.845 240 HB VAL 22 HB VAL 22 -10.006 -6.998 7.244 241 1HG1 VAL 22 2HG1 VAL 22 -8.948 -5.671 5.270 242 2HG1 VAL 22 1HG1 VAL 22 -10.116 -6.533 4.269 243 3HG1 VAL 22 3HG1 VAL 22 -10.676 -5.485 5.572 244 1HG2 VAL 22 1HG2 VAL 22 -10.858 -9.251 6.460 245 2HG2 VAL 22 3HG2 VAL 22 -11.939 -7.898 6.119 246 3HG2 VAL 22 2HG2 VAL 22 -10.941 -8.577 4.832 247 QG1 VAL 22 QG1 VAL 22 -9.913 -5.897 5.037 248 QG2 VAL 22 QG2 VAL 22 -11.246 -8.575 5.804 249 QQG VAL 22 QQG VAL 22 -10.580 -7.236 5.420 250 H ASP 23 H ASP 23 -7.789 -6.765 4.079 251 HA ASP 23 HA ASP 23 -7.116 -9.078 2.390 252 1HB ASP 23 2HB ASP 23 -8.850 -8.476 0.697 253 2HB ASP 23 1HB ASP 23 -9.569 -8.972 2.226 254 QB ASP 23 QB ASP 23 -9.209 -8.724 1.462 255 H ALA 24 H ALA 24 -6.648 -8.070 0.026 256 HA ALA 24 HA ALA 24 -4.615 -6.073 0.370 257 1HB ALA 24 3HB ALA 24 -5.298 -7.904 -1.529 258 2HB ALA 24 2HB ALA 24 -5.843 -6.415 -2.306 259 3HB ALA 24 1HB ALA 24 -4.157 -6.585 -1.808 260 QB ALA 24 QB ALA 24 -5.100 -6.968 -1.881 261 H ALA 25 H ALA 25 -8.039 -5.900 -0.423 262 HA ALA 25 HA ALA 25 -8.236 -3.311 -1.523 263 1HB ALA 25 2HB ALA 25 -9.933 -5.317 -0.849 264 2HB ALA 25 1HB ALA 25 -10.288 -4.173 0.446 265 3HB ALA 25 3HB ALA 25 -10.487 -3.689 -1.239 266 QB ALA 25 QB ALA 25 -10.236 -4.393 -0.547 267 H GLU 26 H GLU 26 -8.445 -4.296 1.908 268 HA GLU 26 HA GLU 26 -8.588 -1.614 2.968 269 1HB GLU 26 2HB GLU 26 -8.374 -4.389 3.887 270 2HB GLU 26 1HB GLU 26 -7.456 -3.286 4.911 271 1HG GLU 26 2HG GLU 26 -10.307 -2.701 4.094 272 2HG GLU 26 1HG GLU 26 -9.922 -3.643 5.536 273 QB GLU 26 QB GLU 26 -7.915 -3.837 4.399 274 QG GLU 26 QG GLU 26 -10.115 -3.172 4.815 275 H ALA 27 H ALA 27 -5.919 -3.912 2.427 276 HA ALA 27 HA ALA 27 -3.774 -2.445 3.568 277 1HB ALA 27 2HB ALA 27 -4.205 -4.584 1.598 278 2HB ALA 27 1HB ALA 27 -2.728 -3.665 1.305 279 3HB ALA 27 3HB ALA 27 -2.982 -4.460 2.861 280 QB ALA 27 QB ALA 27 -3.305 -4.236 1.921 281 H GLU 28 H GLU 28 -5.097 -2.317 0.240 282 HA GLU 28 HA GLU 28 -3.338 -0.336 -0.815 283 1HB GLU 28 2HB GLU 28 -5.171 -1.855 -1.903 284 2HB GLU 28 1HB GLU 28 -6.270 -0.534 -1.507 285 1HG GLU 28 2HG GLU 28 -4.778 1.038 -2.742 286 2HG GLU 28 1HG GLU 28 -3.758 -0.325 -3.209 287 QB GLU 28 QB GLU 28 -5.720 -1.194 -1.705 288 QG GLU 28 QG GLU 28 -4.268 0.356 -2.975 289 H LYS 29 H LYS 29 -6.345 -0.056 1.073 290 HA LYS 29 HA LYS 29 -6.574 2.828 0.887 291 1HB LYS 29 2HB LYS 29 -7.594 0.696 2.782 292 2HB LYS 29 1HB LYS 29 -8.031 2.395 2.956 293 1HG LYS 29 2HG LYS 29 -8.344 1.353 0.213 294 2HG LYS 29 1HG LYS 29 -9.395 0.580 1.399 295 1HD LYS 29 2HD LYS 29 -10.554 2.513 0.502 296 2HD LYS 29 1HD LYS 29 -10.103 2.862 2.172 297 1HE LYS 29 2HE LYS 29 -8.445 4.383 1.550 298 2HE LYS 29 1HE LYS 29 -8.218 3.636 -0.045 299 1HZ LYS 29 1HZ LYS 29 -10.726 4.974 0.814 300 2HZ LYS 29 3HZ LYS 29 -9.521 5.742 -0.099 301 3HZ LYS 29 2HZ LYS 29 -10.348 4.404 -0.742 302 QB LYS 29 QB LYS 29 -7.812 1.546 2.869 303 QG LYS 29 QG LYS 29 -8.870 0.967 0.806 304 QD LYS 29 QD LYS 29 -10.328 2.687 1.337 305 QE LYS 29 QE LYS 29 -8.332 4.010 0.752 306 QZ LYS 29 QZ LYS 29 -10.198 5.040 -0.009 307 H ILE 30 H ILE 30 -5.348 0.653 3.453 308 HA ILE 30 HA ILE 30 -4.368 2.654 5.238 309 HB ILE 30 HB ILE 30 -3.386 -0.164 4.628 310 1HG1 ILE 30 2HG1 ILE 30 -5.279 0.811 6.788 311 2HG1 ILE 30 1HG1 ILE 30 -5.809 0.074 5.277 312 1HG2 ILE 30 2HG2 ILE 30 -2.710 1.829 6.760 313 2HG2 ILE 30 1HG2 ILE 30 -2.807 0.126 7.211 314 3HG2 ILE 30 3HG2 ILE 30 -1.673 0.644 5.964 315 1HD1 ILE 30 2HD1 ILE 30 -3.955 -1.752 6.111 316 2HD1 ILE 30 1HD1 ILE 30 -4.585 -1.183 7.657 317 3HD1 ILE 30 3HD1 ILE 30 -5.681 -1.871 6.459 318 QG1 ILE 30 QG1 ILE 30 -5.544 0.443 6.033 319 QG2 ILE 30 QG2 ILE 30 -2.396 0.866 6.645 320 QD1 ILE 30 QD1 ILE 30 -4.740 -1.602 6.742 321 H PHE 31 H PHE 31 -2.922 1.054 2.436 322 HA PHE 31 HA PHE 31 -0.302 2.300 2.700 323 1HB PHE 31 2HB PHE 31 -1.830 0.662 0.698 324 2HB PHE 31 1HB PHE 31 -0.346 1.453 0.181 325 HD1 PHE 31 1HD PHE 31 1.450 1.301 2.409 326 HD2 PHE 31 2HD PHE 31 -1.439 -1.591 1.096 327 HE1 PHE 31 1HE PHE 31 2.780 -0.505 3.469 328 HE2 PHE 31 2HE PHE 31 -0.109 -3.400 2.154 329 1HZ PHE 31 HZ PHE 31 2.000 -2.856 3.340 330 QB PHE 31 QB PHE 31 -1.088 1.057 0.439 331 QG PHE 31 QD PHE 31 0.006 -0.145 1.753 332 QZ PHE 31 QE PHE 31 1.336 -1.952 2.811 333 QZ PHE 31 QR PHE 31 0.936 -1.410 2.494 334 H LYS 32 H LYS 32 -3.264 2.963 0.861 335 HA LYS 32 HA LYS 32 -2.167 5.179 -0.629 336 1HB LYS 32 2HB LYS 32 -4.901 4.040 -0.118 337 2HB LYS 32 1HB LYS 32 -4.696 5.525 -1.044 338 1HG LYS 32 2HG LYS 32 -2.892 3.320 -1.843 339 2HG LYS 32 1HG LYS 32 -4.605 3.020 -2.141 340 1HD LYS 32 2HD LYS 32 -3.131 5.519 -3.021 341 2HD LYS 32 1HD LYS 32 -3.468 4.140 -4.067 342 1HE LYS 32 2HE LYS 32 -5.948 4.468 -3.404 343 2HE LYS 32 1HE LYS 32 -5.439 6.063 -2.818 344 1HZ LYS 32 2HZ LYS 32 -4.762 5.014 -5.511 345 2HZ LYS 32 1HZ LYS 32 -6.102 6.013 -5.213 346 3HZ LYS 32 3HZ LYS 32 -4.534 6.595 -4.932 347 QB LYS 32 QB LYS 32 -4.799 4.783 -0.581 348 QG LYS 32 QG LYS 32 -3.749 3.170 -1.992 349 QD LYS 32 QD LYS 32 -3.300 4.829 -3.544 350 QE LYS 32 QE LYS 32 -5.693 5.265 -3.111 351 QZ LYS 32 QZ LYS 32 -5.133 5.874 -5.218 352 H GLN 33 H GLN 33 -2.866 4.951 2.644 353 HA GLN 33 HA GLN 33 -3.701 7.850 2.810 354 1HB GLN 33 2HB GLN 33 -5.213 6.175 3.880 355 2HB GLN 33 1HB GLN 33 -3.851 5.551 4.811 356 1HG GLN 33 2HG GLN 33 -3.559 7.890 5.751 357 2HG GLN 33 1HG GLN 33 -5.099 8.302 4.997 358 1HE2 GLN 33 2HE2 GLN 33 -6.654 7.203 7.975 359 2HE2 GLN 33 1HE2 GLN 33 -6.370 8.500 6.916 360 QB GLN 33 QB GLN 33 -4.532 5.863 4.345 361 QG GLN 33 QG GLN 33 -4.329 8.096 5.374 362 QE2 GLN 33 QE2 GLN 33 -6.512 7.852 7.445 363 H TYR 34 H TYR 34 -1.719 5.285 4.092 364 HA TYR 34 HA TYR 34 0.143 6.621 5.738 365 1HB TYR 34 2HB TYR 34 0.048 4.265 5.698 366 2HB TYR 34 1HB TYR 34 -0.048 4.213 3.933 367 HD1 TYR 34 1HD TYR 34 2.043 4.604 2.585 368 HD2 TYR 34 2HD TYR 34 2.152 4.223 6.863 369 HE1 TYR 34 1HE TYR 34 4.487 4.197 2.486 370 HE2 TYR 34 2HE TYR 34 4.596 3.815 6.763 371 HH TYR 34 HH TYR 34 6.473 4.254 5.270 372 QB TYR 34 QB TYR 34 0.000 4.239 4.816 373 QG TYR 34 QD TYR 34 2.097 4.413 4.724 374 QZ TYR 34 QE TYR 34 4.542 4.006 4.625 375 QR TYR 34 QR TYR 34 3.319 4.210 4.674 376 H ALA 35 H ALA 35 0.048 6.135 2.220 377 HA ALA 35 HA ALA 35 2.605 7.265 1.538 378 1HB ALA 35 3HB ALA 35 -0.011 6.712 0.160 379 2HB ALA 35 2HB ALA 35 1.254 7.599 -0.688 380 3HB ALA 35 1HB ALA 35 1.565 5.964 -0.108 381 QB ALA 35 QB ALA 35 0.936 6.758 -0.212 382 H ASN 36 H ASN 36 -0.688 8.667 1.343 383 HA ASN 36 HA ASN 36 -0.002 11.303 0.587 384 1HB ASN 36 2HB ASN 36 -2.234 9.958 2.045 385 2HB ASN 36 1HB ASN 36 -2.203 11.720 2.009 386 1HD2 ASN 36 2HD2 ASN 36 -2.334 9.914 -1.691 387 2HD2 ASN 36 1HD2 ASN 36 -1.301 9.282 -0.502 388 QB ASN 36 QB ASN 36 -2.219 10.839 2.027 389 QD2 ASN 36 QD2 ASN 36 -1.817 9.598 -1.096 390 H ASP 37 H ASP 37 -0.443 9.984 3.882 391 HA ASP 37 HA ASP 37 0.001 12.292 5.411 392 1HB ASP 37 2HB ASP 37 -0.651 10.004 6.197 393 2HB ASP 37 1HB ASP 37 1.023 9.495 5.970 394 QB ASP 37 QB ASP 37 0.186 9.749 6.083 395 H ASN 38 H ASN 38 2.308 10.420 3.615 396 HA ASN 38 HA ASN 38 4.570 11.926 4.766 397 1HB ASN 38 2HB ASN 38 4.158 9.313 3.388 398 2HB ASN 38 1HB ASN 38 5.733 10.089 3.216 399 1HD2 ASN 38 2HD2 ASN 38 6.668 9.567 6.610 400 2HD2 ASN 38 1HD2 ASN 38 7.022 10.415 5.183 401 QB ASN 38 QB ASN 38 4.946 9.701 3.302 402 QD2 ASN 38 QD2 ASN 38 6.845 9.991 5.896 403 H GLY 39 H GLY 39 2.722 11.460 1.831 404 1HA GLY 39 2HA GLY 39 2.700 13.315 0.188 405 2HA GLY 39 1HA GLY 39 4.429 13.510 0.481 406 QA GLY 39 QA GLY 39 3.564 13.412 0.335 407 H ILE 40 H ILE 40 2.947 10.345 0.194 408 HA ILE 40 HA ILE 40 4.576 9.854 -2.249 409 HB ILE 40 HB ILE 40 3.402 8.238 0.006 410 1HG1 ILE 40 2HG1 ILE 40 5.862 7.435 -0.066 411 2HG1 ILE 40 1HG1 ILE 40 6.111 8.808 -1.148 412 1HG2 ILE 40 2HG2 ILE 40 3.779 7.276 -2.718 413 2HG2 ILE 40 1HG2 ILE 40 4.795 6.403 -1.572 414 3HG2 ILE 40 3HG2 ILE 40 3.049 6.465 -1.331 415 1HD1 ILE 40 1HD1 ILE 40 4.669 9.192 1.455 416 2HD1 ILE 40 3HD1 ILE 40 6.435 9.163 1.420 417 3HD1 ILE 40 2HD1 ILE 40 5.547 10.372 0.483 418 QG1 ILE 40 QG1 ILE 40 5.987 8.122 -0.607 419 QG2 ILE 40 QG2 ILE 40 3.874 6.715 -1.874 420 QD1 ILE 40 QD1 ILE 40 5.550 9.576 1.119 421 H ASP 41 H ASP 41 2.585 11.367 -2.949 422 HA ASP 41 HA ASP 41 0.228 9.702 -3.728 423 1HB ASP 41 2HB ASP 41 0.253 12.027 -2.506 424 2HB ASP 41 1HB ASP 41 0.505 12.667 -4.130 425 QB ASP 41 QB ASP 41 0.379 12.347 -3.318 426 H GLY 42 H GLY 42 0.830 8.639 -5.630 427 1HA GLY 42 2HA GLY 42 1.023 10.273 -8.042 428 2HA GLY 42 1HA GLY 42 2.488 9.363 -7.695 429 QA GLY 42 QA GLY 42 1.756 9.818 -7.869 430 H GLU 43 H GLU 43 2.512 7.527 -8.978 431 HA GLU 43 HA GLU 43 0.084 6.337 -10.043 432 1HB GLU 43 2HB GLU 43 2.913 6.201 -10.395 433 2HB GLU 43 1HB GLU 43 2.357 4.558 -10.093 434 1HG GLU 43 2HG GLU 43 0.797 4.659 -11.916 435 2HG GLU 43 1HG GLU 43 1.047 6.395 -12.111 436 QB GLU 43 QB GLU 43 2.635 5.379 -10.244 437 QG GLU 43 QG GLU 43 0.922 5.527 -12.013 438 H TRP 44 H TRP 44 -0.404 3.939 -9.670 439 HA TRP 44 HA TRP 44 0.315 2.773 -7.034 440 1HB TRP 44 2HB TRP 44 -2.291 4.133 -7.690 441 2HB TRP 44 1HB TRP 44 -2.340 2.661 -6.713 442 HD1 TRP 44 HD TRP 44 -1.329 6.308 -6.566 443 HE1 TRP 44 1HE TRP 44 -0.616 6.865 -4.148 444 HE3 TRP 44 3HE TRP 44 -1.300 1.624 -4.593 445 HZ2 TRP 44 2HZ TRP 44 -0.100 5.482 -1.688 446 HZ3 TRP 44 3HZ TRP 44 -0.698 1.259 -2.207 447 HH2 TRP 44 HH TRP 44 -0.096 3.181 -0.762 448 QB TRP 44 QB TRP 44 -2.316 3.397 -7.201 449 H THR 45 H THR 45 0.369 0.585 -7.354 450 HA THR 45 HA THR 45 -1.568 -0.672 -9.238 451 HB THR 45 HB THR 45 0.139 -1.707 -10.541 452 HG1 THR 45 1HG THR 45 1.961 -2.204 -9.675 453 1HG2 THR 45 2HG2 THR 45 -0.167 0.703 -11.043 454 2HG2 THR 45 1HG2 THR 45 1.155 1.077 -9.935 455 3HG2 THR 45 3HG2 THR 45 1.469 0.150 -11.405 456 QG2 THR 45 QG2 THR 45 0.819 0.643 -10.794 457 H TYR 46 H TYR 46 -2.274 -2.591 -8.413 458 HA TYR 46 HA TYR 46 -0.954 -3.606 -5.943 459 1HB TYR 46 2HB TYR 46 -3.315 -3.132 -5.768 460 2HB TYR 46 1HB TYR 46 -3.664 -4.039 -7.242 461 HD1 TYR 46 1HD TYR 46 -1.651 -4.737 -4.145 462 HD2 TYR 46 2HD TYR 46 -4.781 -6.040 -6.781 463 HE1 TYR 46 1HE TYR 46 -1.900 -6.819 -2.822 464 HE2 TYR 46 2HE TYR 46 -5.028 -8.122 -5.456 465 HH TYR 46 HH TYR 46 -3.192 -9.473 -3.794 466 QB TYR 46 QB TYR 46 -3.490 -3.586 -6.505 467 QG TYR 46 QD TYR 46 -3.216 -5.388 -5.463 468 QZ TYR 46 QE TYR 46 -3.464 -7.470 -4.139 469 QR TYR 46 QR TYR 46 -3.340 -6.429 -4.801 470 H ASP 47 H ASP 47 -0.163 -5.729 -5.831 471 HA ASP 47 HA ASP 47 -0.034 -7.238 -8.420 472 1HB ASP 47 2HB ASP 47 1.853 -7.112 -6.041 473 2HB ASP 47 1HB ASP 47 2.098 -8.127 -7.460 474 QB ASP 47 QB ASP 47 1.975 -7.619 -6.750 475 H ASP 48 H ASP 48 -1.837 -8.593 -8.118 476 HA ASP 48 HA ASP 48 -2.521 -9.868 -5.627 477 1HB ASP 48 2HB ASP 48 -4.049 -11.167 -7.099 478 2HB ASP 48 1HB ASP 48 -4.106 -9.440 -7.450 479 QB ASP 48 QB ASP 48 -4.078 -10.303 -7.274 480 H ALA 49 H ALA 49 0.053 -10.508 -7.740 481 HA ALA 49 HA ALA 49 0.113 -13.424 -7.264 482 1HB ALA 49 1HB ALA 49 0.803 -11.856 -9.363 483 2HB ALA 49 3HB ALA 49 2.360 -11.945 -8.540 484 3HB ALA 49 2HB ALA 49 1.553 -13.424 -9.063 485 QB ALA 49 QB ALA 49 1.572 -12.408 -8.989 486 H THR 50 H THR 50 1.602 -10.439 -6.137 487 HA THR 50 HA THR 50 3.305 -12.045 -4.259 488 HB THR 50 HB THR 50 4.858 -10.096 -4.402 489 HG1 THR 50 1HG THR 50 4.407 -8.534 -5.985 490 1HG2 THR 50 3HG2 THR 50 4.782 -12.129 -6.053 491 2HG2 THR 50 2HG2 THR 50 4.237 -10.926 -7.222 492 3HG2 THR 50 1HG2 THR 50 5.807 -10.746 -6.436 493 QG2 THR 50 QG2 THR 50 4.942 -11.267 -6.570 494 H LYS 51 H LYS 51 0.521 -10.262 -4.379 495 HA LYS 51 HA LYS 51 -0.700 -9.018 -2.790 496 1HB LYS 51 2HB LYS 51 1.324 -10.355 -0.958 497 2HB LYS 51 1HB LYS 51 -0.224 -9.676 -0.457 498 1HG LYS 51 2HG LYS 51 -0.004 -11.851 -2.549 499 2HG LYS 51 1HG LYS 51 -0.193 -12.201 -0.831 500 1HD LYS 51 2HD LYS 51 -2.250 -10.732 -0.848 501 2HD LYS 51 1HD LYS 51 -2.103 -10.660 -2.605 502 1HE LYS 51 2HE LYS 51 -2.607 -12.934 -2.875 503 2HE LYS 51 1HE LYS 51 -2.130 -13.335 -1.212 504 1HZ LYS 51 3HZ LYS 51 -3.973 -12.005 -0.395 505 2HZ LYS 51 2HZ LYS 51 -4.440 -11.630 -1.984 506 3HZ LYS 51 1HZ LYS 51 -4.543 -13.230 -1.420 507 QB LYS 51 QB LYS 51 0.550 -10.016 -0.707 508 QG LYS 51 QG LYS 51 -0.099 -12.026 -1.690 509 QD LYS 51 QD LYS 51 -2.177 -10.696 -1.726 510 QE LYS 51 QE LYS 51 -2.369 -13.134 -2.044 511 QZ LYS 51 QZ LYS 51 -4.319 -12.288 -1.266 512 H THR 52 H THR 52 1.460 -7.651 -4.122 513 HA THR 52 HA THR 52 2.263 -5.720 -1.955 514 HB THR 52 HB THR 52 3.877 -6.516 -4.394 515 HG1 THR 52 1HG THR 52 4.977 -7.875 -3.037 516 1HG2 THR 52 2HG2 THR 52 4.541 -5.015 -1.847 517 2HG2 THR 52 1HG2 THR 52 5.726 -5.497 -3.062 518 3HG2 THR 52 3HG2 THR 52 4.462 -4.338 -3.474 519 QG2 THR 52 QG2 THR 52 4.910 -4.950 -2.794 520 H PHE 53 H PHE 53 2.050 -3.534 -2.493 521 HA PHE 53 HA PHE 53 0.658 -2.930 -5.051 522 1HB PHE 53 2HB PHE 53 1.072 -1.467 -2.434 523 2HB PHE 53 1HB PHE 53 0.236 -0.748 -3.809 524 HD1 PHE 53 2HD PHE 53 0.172 -3.638 -1.444 525 HD2 PHE 53 1HD PHE 53 -2.039 -1.285 -4.288 526 HE1 PHE 53 2HE PHE 53 -1.929 -4.798 -0.778 527 HE2 PHE 53 1HE PHE 53 -4.122 -2.446 -3.621 528 1HZ PHE 53 HZ PHE 53 -4.068 -4.200 -1.871 529 QB PHE 53 QB PHE 53 0.654 -1.108 -3.121 530 QG PHE 53 QD PHE 53 -0.934 -2.461 -2.866 531 QZ PHE 53 QE PHE 53 -3.025 -3.622 -2.200 532 QZ PHE 53 QR PHE 53 -2.397 -3.273 -2.400 533 H THR 54 H THR 54 1.404 -0.297 -5.589 534 HA THR 54 HA THR 54 4.330 -0.011 -5.398 535 HB THR 54 HB THR 54 3.143 -0.136 -8.159 536 HG1 THR 54 1HG THR 54 2.733 -2.163 -7.834 537 1HG2 THR 54 3HG2 THR 54 5.867 -0.527 -6.924 538 2HG2 THR 54 2HG2 THR 54 5.520 -0.970 -8.595 539 3HG2 THR 54 1HG2 THR 54 5.360 0.707 -8.077 540 QG2 THR 54 QG2 THR 54 5.582 -0.263 -7.865 541 H VAL 55 H VAL 55 4.052 2.063 -4.608 542 HA VAL 55 HA VAL 55 2.289 3.876 -6.166 543 HB VAL 55 HB VAL 55 1.651 3.690 -3.866 544 1HG1 VAL 55 2HG1 VAL 55 4.559 4.248 -3.224 545 2HG1 VAL 55 1HG1 VAL 55 3.259 4.279 -2.032 546 3HG1 VAL 55 3HG1 VAL 55 3.637 2.777 -2.876 547 1HG2 VAL 55 2HG2 VAL 55 3.207 6.251 -4.313 548 2HG2 VAL 55 1HG2 VAL 55 1.522 5.960 -4.735 549 3HG2 VAL 55 3HG2 VAL 55 2.008 6.017 -3.040 550 QG1 VAL 55 QG1 VAL 55 3.818 3.768 -2.710 551 QG2 VAL 55 QG2 VAL 55 2.246 6.076 -4.029 552 QQG VAL 55 QQG VAL 55 3.032 4.922 -3.370 553 H THR 56 H THR 56 3.384 4.902 -7.694 554 HA THR 56 HA THR 56 6.197 5.741 -7.279 555 HB THR 56 HB THR 56 4.324 5.107 -9.488 556 HG1 THR 56 1HG THR 56 5.921 3.786 -9.601 557 1HG2 THR 56 2HG2 THR 56 6.232 7.436 -9.753 558 2HG2 THR 56 1HG2 THR 56 5.779 6.450 -11.144 559 3HG2 THR 56 3HG2 THR 56 4.539 7.339 -10.252 560 QG2 THR 56 QG2 THR 56 5.516 7.075 -10.383 561 H GLU 57 H GLU 57 6.064 7.554 -5.894 562 HA GLU 57 HA GLU 57 4.054 9.570 -5.908 563 1HB GLU 57 2HB GLU 57 5.969 9.011 -4.249 564 2HB GLU 57 1HB GLU 57 6.975 10.036 -5.273 565 1HG GLU 57 2HG GLU 57 4.322 10.986 -4.186 566 2HG GLU 57 1HG GLU 57 5.825 11.179 -3.282 567 QB GLU 57 QB GLU 57 6.472 9.524 -4.761 568 QG GLU 57 QG GLU 57 5.074 11.082 -3.734 No H/Q in entry = 568 Start of MODEL 34 1 1H MET 1 1HT MET 1 -2.818 -15.810 6.713 2 2H MET 1 3HT MET 1 -1.141 -15.895 6.474 3 3H MET 1 2HT MET 1 -1.796 -16.212 8.009 4 HA MET 1 HA MET 1 -2.444 -13.939 8.298 5 1HB MET 1 2HB MET 1 0.307 -14.750 7.474 6 2HB MET 1 1HB MET 1 0.023 -13.028 7.723 7 1HG MET 1 2HG MET 1 -0.950 -14.985 9.780 8 2HG MET 1 1HG MET 1 0.754 -14.536 9.755 9 1HE MET 1 2HE MET 1 -1.422 -14.455 11.717 10 2HE MET 1 1HE MET 1 -0.583 -13.220 12.653 11 3HE MET 1 3HE MET 1 -2.235 -12.936 12.088 12 QB MET 1 QB MET 1 0.165 -13.889 7.598 13 QG MET 1 QG MET 1 -0.098 -14.761 9.767 14 QE MET 1 QE MET 1 -1.413 -13.537 12.153 15 H THR 2 H THR 2 -2.318 -11.703 7.385 16 HA THR 2 HA THR 2 -2.448 -11.673 4.386 17 HB THR 2 HB THR 2 -4.142 -10.115 6.364 18 HG1 THR 2 1HG THR 2 -4.762 -12.209 6.526 19 1HG2 THR 2 1HG2 THR 2 -4.016 -10.342 3.374 20 2HG2 THR 2 3HG2 THR 2 -5.562 -10.011 4.154 21 3HG2 THR 2 2HG2 THR 2 -4.208 -8.902 4.374 22 QG2 THR 2 QG2 THR 2 -4.595 -9.751 3.968 23 H THR 3 H THR 3 -0.108 -11.024 5.934 24 HA THR 3 HA THR 3 0.127 -8.184 6.424 25 HB THR 3 HB THR 3 2.350 -10.106 5.709 26 HG1 THR 3 1HG THR 3 1.934 -11.199 7.442 27 1HG2 THR 3 2HG2 THR 3 2.566 -7.537 6.304 28 2HG2 THR 3 1HG2 THR 3 2.376 -8.128 7.955 29 3HG2 THR 3 3HG2 THR 3 3.710 -8.707 6.959 30 QG2 THR 3 QG2 THR 3 2.884 -8.124 7.073 31 H PHE 4 H PHE 4 -0.737 -7.212 4.454 32 HA PHE 4 HA PHE 4 0.433 -7.748 1.842 33 1HB PHE 4 2HB PHE 4 -1.487 -5.820 3.093 34 2HB PHE 4 1HB PHE 4 -0.824 -5.419 1.509 35 HD1 PHE 4 1HD PHE 4 -0.829 -7.400 -0.244 36 HD2 PHE 4 2HD PHE 4 -3.383 -7.180 3.200 37 HE1 PHE 4 1HE PHE 4 -2.403 -8.987 -1.312 38 HE2 PHE 4 2HE PHE 4 -4.960 -8.764 2.127 39 1HZ PHE 4 HZ PHE 4 -4.470 -9.671 -0.127 40 QB PHE 4 QB PHE 4 -1.156 -5.619 2.301 41 QG PHE 4 QD PHE 4 -2.106 -7.290 1.478 42 QZ PHE 4 QE PHE 4 -3.681 -8.876 0.407 43 QZ PHE 4 QR PHE 4 -3.209 -8.400 0.728 44 H LYS 5 H LYS 5 2.096 -6.631 0.821 45 HA LYS 5 HA LYS 5 3.604 -4.652 2.488 46 1HB LYS 5 2HB LYS 5 4.409 -6.379 0.118 47 2HB LYS 5 1HB LYS 5 5.499 -5.346 1.042 48 1HG LYS 5 2HG LYS 5 5.872 -7.182 2.322 49 2HG LYS 5 1HG LYS 5 4.293 -6.840 3.029 50 1HD LYS 5 2HD LYS 5 4.043 -9.066 2.366 51 2HD LYS 5 1HD LYS 5 3.386 -8.203 0.974 52 1HE LYS 5 2HE LYS 5 5.257 -8.650 -0.356 53 2HE LYS 5 1HE LYS 5 6.324 -8.864 1.048 54 1HZ LYS 5 2HZ LYS 5 4.935 -10.814 1.659 55 2HZ LYS 5 1HZ LYS 5 4.135 -10.669 0.167 56 3HZ LYS 5 3HZ LYS 5 5.794 -11.020 0.207 57 QB LYS 5 QB LYS 5 4.954 -5.863 0.580 58 QG LYS 5 QG LYS 5 5.082 -7.011 2.675 59 QD LYS 5 QD LYS 5 3.714 -8.635 1.670 60 QE LYS 5 QE LYS 5 5.791 -8.757 0.346 61 QZ LYS 5 QZ LYS 5 4.955 -10.835 0.678 62 H LEU 6 H LEU 6 4.954 -3.145 0.834 63 HA LEU 6 HA LEU 6 3.408 -2.338 -1.547 64 1HB LEU 6 2HB LEU 6 2.414 -1.367 0.672 65 2HB LEU 6 1HB LEU 6 3.825 -0.322 0.660 66 HG LEU 6 HG LEU 6 1.398 -0.254 -1.060 67 1HD1 LEU 6 2HD1 LEU 6 2.459 1.416 0.738 68 2HD1 LEU 6 1HD1 LEU 6 3.278 2.028 -0.695 69 3HD1 LEU 6 3HD1 LEU 6 1.518 1.998 -0.633 70 1HD2 LEU 6 2HD2 LEU 6 4.121 0.492 -2.200 71 2HD2 LEU 6 1HD2 LEU 6 3.100 -0.823 -2.778 72 3HD2 LEU 6 3HD2 LEU 6 2.564 0.847 -2.947 73 QB LEU 6 QB LEU 6 3.119 -0.844 0.666 74 QD1 LEU 6 QD1 LEU 6 2.418 1.814 -0.197 75 QD2 LEU 6 QD2 LEU 6 3.262 0.172 -2.642 76 QQD LEU 6 QQD LEU 6 2.840 0.993 -1.419 77 H ILE 7 H ILE 7 5.099 -2.050 -2.984 78 HA ILE 7 HA ILE 7 7.737 -1.111 -2.073 79 HB ILE 7 HB ILE 7 6.560 -1.643 -4.829 80 1HG1 ILE 7 2HG1 ILE 7 6.599 -3.653 -3.391 81 2HG1 ILE 7 1HG1 ILE 7 7.784 -3.786 -4.686 82 1HG2 ILE 7 3HG2 ILE 7 9.218 -0.728 -3.865 83 2HG2 ILE 7 2HG2 ILE 7 9.235 -1.989 -5.101 84 3HG2 ILE 7 1HG2 ILE 7 8.424 -0.454 -5.419 85 1HD1 ILE 7 2HD1 ILE 7 9.539 -2.967 -3.084 86 2HD1 ILE 7 1HD1 ILE 7 8.331 -3.028 -1.800 87 3HD1 ILE 7 3HD1 ILE 7 8.828 -4.512 -2.615 88 QG1 ILE 7 QG1 ILE 7 7.192 -3.719 -4.038 89 QG2 ILE 7 QG2 ILE 7 8.959 -1.057 -4.795 90 QD1 ILE 7 QD1 ILE 7 8.899 -3.502 -2.500 91 H ILE 8 H ILE 8 8.120 1.069 -1.859 92 HA ILE 8 HA ILE 8 6.133 2.945 -2.943 93 HB ILE 8 HB ILE 8 8.641 3.609 -1.408 94 1HG1 ILE 8 2HG1 ILE 8 7.223 1.781 -0.261 95 2HG1 ILE 8 1HG1 ILE 8 7.549 3.224 0.678 96 1HG2 ILE 8 1HG2 ILE 8 6.160 4.995 -2.224 97 2HG2 ILE 8 3HG2 ILE 8 6.677 5.290 -0.562 98 3HG2 ILE 8 2HG2 ILE 8 7.771 5.647 -1.898 99 1HD1 ILE 8 3HD1 ILE 8 5.110 3.482 -0.902 100 2HD1 ILE 8 2HD1 ILE 8 5.044 2.108 0.201 101 3HD1 ILE 8 1HD1 ILE 8 5.358 3.729 0.827 102 QG1 ILE 8 QG1 ILE 8 7.386 2.503 0.208 103 QG2 ILE 8 QG2 ILE 8 6.869 5.311 -1.561 104 QD1 ILE 8 QD1 ILE 8 5.171 3.106 0.042 105 H ASN 9 H ASN 9 6.420 3.556 -5.052 106 HA ASN 9 HA ASN 9 9.174 3.815 -6.159 107 1HB ASN 9 2HB ASN 9 7.329 2.520 -7.292 108 2HB ASN 9 1HB ASN 9 6.451 4.038 -7.484 109 1HD2 ASN 9 2HD2 ASN 9 8.553 5.237 -10.099 110 2HD2 ASN 9 1HD2 ASN 9 7.384 5.671 -8.947 111 QB ASN 9 QB ASN 9 6.890 3.279 -7.388 112 QD2 ASN 9 QD2 ASN 9 7.969 5.454 -9.523 113 H GLY 10 H GLY 10 9.837 5.825 -7.156 114 1HA GLY 10 2HA GLY 10 9.097 8.153 -7.833 115 2HA GLY 10 1HA GLY 10 8.236 8.205 -6.295 116 QA GLY 10 QA GLY 10 8.667 8.179 -7.064 117 H LYS 11 H LYS 11 9.380 9.894 -5.334 118 HA LYS 11 HA LYS 11 12.248 9.311 -4.694 119 1HB LYS 11 2HB LYS 11 12.685 11.734 -5.068 120 2HB LYS 11 1HB LYS 11 12.094 10.941 -6.528 121 1HG LYS 11 2HG LYS 11 9.799 11.744 -6.009 122 2HG LYS 11 1HG LYS 11 10.432 12.589 -4.596 123 1HD LYS 11 2HD LYS 11 11.832 13.142 -7.152 124 2HD LYS 11 1HD LYS 11 10.181 13.750 -7.039 125 1HE LYS 11 2HE LYS 11 11.158 14.470 -4.583 126 2HE LYS 11 1HE LYS 11 12.603 14.644 -5.601 127 1HZ LYS 11 1HZ LYS 11 9.931 15.672 -6.380 128 2HZ LYS 11 3HZ LYS 11 11.085 16.624 -5.583 129 3HZ LYS 11 2HZ LYS 11 11.423 15.997 -7.125 130 QB LYS 11 QB LYS 11 12.390 11.338 -5.798 131 QG LYS 11 QG LYS 11 10.115 12.166 -5.302 132 QD LYS 11 QD LYS 11 11.007 13.446 -7.096 133 QE LYS 11 QE LYS 11 11.881 14.557 -5.092 134 QZ LYS 11 QZ LYS 11 10.813 16.097 -6.363 135 H THR 12 H THR 12 9.514 9.200 -3.214 136 HA THR 12 HA THR 12 10.387 10.809 -0.841 137 HB THR 12 HB THR 12 7.513 10.320 -1.624 138 HG1 THR 12 1HG THR 12 7.667 12.466 -2.539 139 1HG2 THR 12 2HG2 THR 12 7.993 11.097 0.667 140 2HG2 THR 12 1HG2 THR 12 8.891 12.466 0.015 141 3HG2 THR 12 3HG2 THR 12 7.153 12.341 -0.258 142 QG2 THR 12 QG2 THR 12 8.012 11.968 0.141 143 H LEU 13 H LEU 13 11.003 9.283 0.614 144 HA LEU 13 HA LEU 13 10.933 7.430 2.029 145 1HB LEU 13 2HB LEU 13 8.916 7.332 3.084 146 2HB LEU 13 1HB LEU 13 8.432 8.589 1.960 147 HG LEU 13 HG LEU 13 7.801 6.565 0.413 148 1HD1 LEU 13 1HD1 LEU 13 7.918 5.346 3.175 149 2HD1 LEU 13 3HD1 LEU 13 6.912 4.677 1.886 150 3HD1 LEU 13 2HD1 LEU 13 8.666 4.743 1.696 151 1HD2 LEU 13 3HD2 LEU 13 6.372 8.292 1.876 152 2HD2 LEU 13 2HD2 LEU 13 5.607 6.949 1.025 153 3HD2 LEU 13 1HD2 LEU 13 5.961 6.815 2.747 154 QB LEU 13 QB LEU 13 8.674 7.961 2.522 155 QD1 LEU 13 QD1 LEU 13 7.832 4.922 2.252 156 QD2 LEU 13 QD2 LEU 13 5.980 7.352 1.883 157 QQD LEU 13 QQD LEU 13 6.906 6.137 2.068 158 H LYS 14 H LYS 14 11.433 5.273 1.747 159 HA LYS 14 HA LYS 14 10.392 3.865 -0.625 160 1HB LYS 14 2HB LYS 14 12.723 3.218 -1.204 161 2HB LYS 14 1HB LYS 14 12.487 4.965 -1.265 162 1HG LYS 14 2HG LYS 14 13.466 5.201 0.971 163 2HG LYS 14 1HG LYS 14 13.652 3.451 1.092 164 1HD LYS 14 2HD LYS 14 15.787 4.275 0.418 165 2HD LYS 14 1HD LYS 14 15.058 3.594 -1.038 166 1HE LYS 14 2HE LYS 14 14.324 5.849 -1.738 167 2HE LYS 14 1HE LYS 14 15.061 6.538 -0.278 168 1HZ LYS 14 1HZ LYS 14 16.534 4.859 -2.233 169 2HZ LYS 14 3HZ LYS 14 16.543 6.554 -2.266 170 3HZ LYS 14 2HZ LYS 14 17.187 5.728 -0.927 171 QB LYS 14 QB LYS 14 12.605 4.092 -1.235 172 QG LYS 14 QG LYS 14 13.559 4.326 1.032 173 QD LYS 14 QD LYS 14 15.422 3.934 -0.310 174 QE LYS 14 QE LYS 14 14.692 6.194 -1.008 175 QZ LYS 14 QZ LYS 14 16.755 5.714 -1.809 176 H GLY 15 H GLY 15 10.050 1.673 -0.260 177 1HA GLY 15 2HA GLY 15 11.379 -0.161 1.257 178 2HA GLY 15 1HA GLY 15 10.465 0.706 2.490 179 QA GLY 15 QA GLY 15 10.922 0.273 1.873 180 H GLU 16 H GLU 16 9.681 -1.722 2.545 181 HA GLU 16 HA GLU 16 7.485 -2.194 0.582 182 1HB GLU 16 2HB GLU 16 9.261 -3.787 2.349 183 2HB GLU 16 1HB GLU 16 7.618 -4.403 2.168 184 1HG GLU 16 2HG GLU 16 7.863 -4.309 -0.295 185 2HG GLU 16 1HG GLU 16 9.518 -3.734 -0.099 186 QB GLU 16 QB GLU 16 8.439 -4.095 2.258 187 QG GLU 16 QG GLU 16 8.691 -4.022 -0.197 188 H ILE 17 H ILE 17 8.100 -1.967 4.091 189 HA ILE 17 HA ILE 17 6.633 -1.599 5.904 190 HB ILE 17 HB ILE 17 5.079 -0.281 3.648 191 1HG1 ILE 17 2HG1 ILE 17 6.764 1.243 5.583 192 2HG1 ILE 17 1HG1 ILE 17 7.609 0.328 4.335 193 1HG2 ILE 17 3HG2 ILE 17 4.905 -0.115 6.659 194 2HG2 ILE 17 2HG2 ILE 17 4.336 1.200 5.631 195 3HG2 ILE 17 1HG2 ILE 17 3.605 -0.400 5.503 196 1HD1 ILE 17 3HD1 ILE 17 5.333 2.233 3.739 197 2HD1 ILE 17 2HD1 ILE 17 7.031 2.708 3.690 198 3HD1 ILE 17 1HD1 ILE 17 6.428 1.477 2.582 199 QG1 ILE 17 QG1 ILE 17 7.187 0.786 4.959 200 QG2 ILE 17 QG2 ILE 17 4.282 0.229 5.931 201 QD1 ILE 17 QD1 ILE 17 6.264 2.140 3.337 202 H THR 18 H THR 18 6.276 -4.053 5.724 203 HA THR 18 HA THR 18 3.876 -5.085 4.469 204 HB THR 18 HB THR 18 4.461 -7.097 5.788 205 HG1 THR 18 1HG THR 18 5.042 -6.106 7.707 206 1HG2 THR 18 1HG2 THR 18 6.072 -5.833 3.878 207 2HG2 THR 18 3HG2 THR 18 7.192 -6.321 5.152 208 3HG2 THR 18 2HG2 THR 18 6.163 -7.522 4.373 209 QG2 THR 18 QG2 THR 18 6.476 -6.558 4.468 210 H ILE 19 H ILE 19 1.799 -5.033 5.254 211 HA ILE 19 HA ILE 19 1.369 -4.601 8.178 212 HB ILE 19 HB ILE 19 -0.273 -2.824 7.629 213 1HG1 ILE 19 2HG1 ILE 19 0.234 -1.974 5.100 214 2HG1 ILE 19 1HG1 ILE 19 0.389 -3.714 4.870 215 1HG2 ILE 19 2HG2 ILE 19 2.276 -2.445 7.960 216 2HG2 ILE 19 1HG2 ILE 19 2.301 -2.135 6.224 217 3HG2 ILE 19 3HG2 ILE 19 1.318 -1.126 7.285 218 1HD1 ILE 19 1HD1 ILE 19 -1.853 -3.798 6.256 219 2HD1 ILE 19 3HD1 ILE 19 -2.008 -2.123 5.725 220 3HD1 ILE 19 2HD1 ILE 19 -1.897 -3.420 4.533 221 QG1 ILE 19 QG1 ILE 19 0.311 -2.844 4.985 222 QG2 ILE 19 QG2 ILE 19 1.965 -1.902 7.156 223 QD1 ILE 19 QD1 ILE 19 -1.920 -3.114 5.505 224 H GLU 20 H GLU 20 -0.311 -5.819 8.964 225 HA GLU 20 HA GLU 20 -1.637 -7.751 7.237 226 1HB GLU 20 2HB GLU 20 -2.725 -8.392 9.385 227 2HB GLU 20 1HB GLU 20 -0.979 -8.225 9.558 228 1HG GLU 20 2HG GLU 20 -1.150 -6.248 10.778 229 2HG GLU 20 1HG GLU 20 -2.727 -5.844 10.103 230 QB GLU 20 QB GLU 20 -1.852 -8.308 9.471 231 QG GLU 20 QG GLU 20 -1.938 -6.046 10.441 232 H ALA 21 H ALA 21 -3.973 -7.884 6.915 233 HA ALA 21 HA ALA 21 -5.742 -5.690 7.645 234 1HB ALA 21 2HB ALA 21 -4.452 -5.853 4.915 235 2HB ALA 21 1HB ALA 21 -5.991 -5.027 5.154 236 3HB ALA 21 3HB ALA 21 -4.549 -4.462 5.995 237 QB ALA 21 QB ALA 21 -4.997 -5.114 5.355 238 H VAL 22 H VAL 22 -7.924 -6.021 6.698 239 HA VAL 22 HA VAL 22 -8.848 -8.676 6.730 240 HB VAL 22 HB VAL 22 -10.222 -6.653 7.044 241 1HG1 VAL 22 1HG1 VAL 22 -8.968 -5.456 5.101 242 2HG1 VAL 22 3HG1 VAL 22 -10.166 -6.225 4.060 243 3HG1 VAL 22 2HG1 VAL 22 -10.684 -5.110 5.325 244 1HG2 VAL 22 2HG2 VAL 22 -11.095 -8.350 4.684 245 2HG2 VAL 22 1HG2 VAL 22 -11.376 -8.717 6.386 246 3HG2 VAL 22 3HG2 VAL 22 -12.163 -7.325 5.640 247 QG1 VAL 22 QG1 VAL 22 -9.939 -5.597 4.829 248 QG2 VAL 22 QG2 VAL 22 -11.545 -8.131 5.570 249 QQG VAL 22 QQG VAL 22 -10.742 -6.864 5.199 250 H ASP 23 H ASP 23 -7.853 -6.662 3.987 251 HA ASP 23 HA ASP 23 -7.335 -9.039 2.336 252 1HB ASP 23 2HB ASP 23 -9.750 -7.317 2.115 253 2HB ASP 23 1HB ASP 23 -8.946 -7.702 0.593 254 QB ASP 23 QB ASP 23 -9.348 -7.510 1.354 255 H ALA 24 H ALA 24 -6.708 -8.096 -0.009 256 HA ALA 24 HA ALA 24 -4.521 -6.272 0.384 257 1HB ALA 24 2HB ALA 24 -5.230 -8.084 -1.490 258 2HB ALA 24 1HB ALA 24 -5.740 -6.611 -2.315 259 3HB ALA 24 3HB ALA 24 -4.061 -6.801 -1.808 260 QB ALA 24 QB ALA 24 -5.010 -7.165 -1.871 261 H ALA 25 H ALA 25 -7.853 -5.851 -0.760 262 HA ALA 25 HA ALA 25 -7.770 -3.241 -1.794 263 1HB ALA 25 3HB ALA 25 -9.688 -4.904 -1.703 264 2HB ALA 25 2HB ALA 25 -9.940 -4.409 -0.029 265 3HB ALA 25 1HB ALA 25 -10.143 -3.241 -1.334 266 QB ALA 25 QB ALA 25 -9.924 -4.185 -1.022 267 H GLU 26 H GLU 26 -8.336 -4.254 1.580 268 HA GLU 26 HA GLU 26 -8.484 -1.629 2.723 269 1HB GLU 26 2HB GLU 26 -9.085 -3.985 3.643 270 2HB GLU 26 1HB GLU 26 -7.382 -4.097 4.082 271 1HG GLU 26 2HG GLU 26 -8.138 -3.128 6.021 272 2HG GLU 26 1HG GLU 26 -7.921 -1.651 5.080 273 QB GLU 26 QB GLU 26 -8.233 -4.041 3.863 274 QG GLU 26 QG GLU 26 -8.030 -2.389 5.551 275 H ALA 27 H ALA 27 -5.738 -3.905 2.360 276 HA ALA 27 HA ALA 27 -3.693 -2.413 3.613 277 1HB ALA 27 2HB ALA 27 -3.477 -4.716 2.728 278 2HB ALA 27 1HB ALA 27 -3.580 -4.093 1.079 279 3HB ALA 27 3HB ALA 27 -2.198 -3.678 2.093 280 QB ALA 27 QB ALA 27 -3.085 -4.162 1.967 281 H GLU 28 H GLU 28 -4.877 -2.217 0.246 282 HA GLU 28 HA GLU 28 -3.074 -0.241 -0.728 283 1HB GLU 28 2HB GLU 28 -4.909 -1.706 -1.878 284 2HB GLU 28 1HB GLU 28 -5.995 -0.375 -1.475 285 1HG GLU 28 2HG GLU 28 -4.018 1.071 -2.544 286 2HG GLU 28 1HG GLU 28 -3.709 -0.437 -3.406 287 QB GLU 28 QB GLU 28 -5.452 -1.041 -1.677 288 QG GLU 28 QG GLU 28 -3.864 0.317 -2.975 289 H LYS 29 H LYS 29 -6.071 0.044 1.162 290 HA LYS 29 HA LYS 29 -6.267 2.941 1.016 291 1HB LYS 29 2HB LYS 29 -7.276 0.959 3.092 292 2HB LYS 29 1HB LYS 29 -7.878 2.598 2.856 293 1HG LYS 29 2HG LYS 29 -7.949 0.460 0.713 294 2HG LYS 29 1HG LYS 29 -9.303 0.822 1.778 295 1HD LYS 29 2HD LYS 29 -7.957 2.834 -0.043 296 2HD LYS 29 1HD LYS 29 -9.462 1.994 -0.413 297 1HE LYS 29 2HE LYS 29 -10.429 2.949 1.724 298 2HE LYS 29 1HE LYS 29 -8.966 3.946 1.857 299 1HZ LYS 29 1HZ LYS 29 -9.373 4.781 -0.376 300 2HZ LYS 29 3HZ LYS 29 -10.785 3.847 -0.492 301 3HZ LYS 29 2HZ LYS 29 -10.698 5.117 0.633 302 QB LYS 29 QB LYS 29 -7.577 1.778 2.974 303 QG LYS 29 QG LYS 29 -8.626 0.641 1.246 304 QD LYS 29 QD LYS 29 -8.709 2.414 -0.228 305 QE LYS 29 QE LYS 29 -9.697 3.448 1.791 306 QZ LYS 29 QZ LYS 29 -10.285 4.582 -0.078 307 H ILE 30 H ILE 30 -5.159 0.707 3.581 308 HA ILE 30 HA ILE 30 -4.124 2.634 5.404 309 HB ILE 30 HB ILE 30 -3.243 -0.208 4.750 310 1HG1 ILE 30 2HG1 ILE 30 -4.992 0.613 7.057 311 2HG1 ILE 30 1HG1 ILE 30 -5.702 0.388 5.459 312 1HG2 ILE 30 2HG2 ILE 30 -1.877 1.565 6.342 313 2HG2 ILE 30 1HG2 ILE 30 -2.970 0.828 7.512 314 3HG2 ILE 30 3HG2 ILE 30 -1.872 -0.184 6.574 315 1HD1 ILE 30 2HD1 ILE 30 -3.856 -1.760 6.333 316 2HD1 ILE 30 1HD1 ILE 30 -5.358 -1.635 7.249 317 3HD1 ILE 30 3HD1 ILE 30 -5.409 -1.876 5.503 318 QG1 ILE 30 QG1 ILE 30 -5.347 0.500 6.258 319 QG2 ILE 30 QG2 ILE 30 -2.240 0.736 6.809 320 QD1 ILE 30 QD1 ILE 30 -4.874 -1.757 6.362 321 H PHE 31 H PHE 31 -2.736 1.091 2.549 322 HA PHE 31 HA PHE 31 -0.072 2.238 2.878 323 1HB PHE 31 2HB PHE 31 -1.627 0.704 0.806 324 2HB PHE 31 1HB PHE 31 -0.106 1.461 0.342 325 HD1 PHE 31 1HD PHE 31 1.632 1.180 2.609 326 HD2 PHE 31 2HD PHE 31 -1.307 -1.573 1.124 327 HE1 PHE 31 1HE PHE 31 2.878 -0.699 3.638 328 HE2 PHE 31 2HE PHE 31 -0.060 -3.457 2.153 329 1HZ PHE 31 HZ PHE 31 2.033 -3.020 3.410 330 QB PHE 31 QB PHE 31 -0.866 1.082 0.574 331 QG PHE 31 QD PHE 31 0.163 -0.196 1.867 332 QZ PHE 31 QE PHE 31 1.409 -2.078 2.895 333 QZ PHE 31 QR PHE 31 1.035 -1.514 2.587 334 H LYS 32 H LYS 32 -3.055 3.060 1.177 335 HA LYS 32 HA LYS 32 -1.914 5.293 -0.274 336 1HB LYS 32 2HB LYS 32 -4.635 4.126 0.178 337 2HB LYS 32 1HB LYS 32 -4.471 5.702 -0.594 338 1HG LYS 32 2HG LYS 32 -3.086 4.796 -2.340 339 2HG LYS 32 1HG LYS 32 -2.980 3.238 -1.523 340 1HD LYS 32 2HD LYS 32 -5.157 2.643 -2.082 341 2HD LYS 32 1HD LYS 32 -5.691 4.320 -2.210 342 1HE LYS 32 2HE LYS 32 -3.599 3.398 -4.142 343 2HE LYS 32 1HE LYS 32 -5.269 2.854 -4.404 344 1HZ LYS 32 2HZ LYS 32 -5.963 5.203 -4.055 345 2HZ LYS 32 1HZ LYS 32 -4.323 5.650 -4.076 346 3HZ LYS 32 3HZ LYS 32 -5.032 4.966 -5.456 347 QB LYS 32 QB LYS 32 -4.553 4.914 -0.208 348 QG LYS 32 QG LYS 32 -3.033 4.017 -1.931 349 QD LYS 32 QD LYS 32 -5.424 3.481 -2.146 350 QE LYS 32 QE LYS 32 -4.434 3.126 -4.273 351 QZ LYS 32 QZ LYS 32 -5.106 5.273 -4.529 352 H GLN 33 H GLN 33 -2.488 4.953 2.983 353 HA GLN 33 HA GLN 33 -3.414 7.806 3.327 354 1HB GLN 33 2HB GLN 33 -3.301 5.323 5.066 355 2HB GLN 33 1HB GLN 33 -3.505 6.924 5.776 356 1HG GLN 33 2HG GLN 33 -5.404 7.116 3.922 357 2HG GLN 33 1HG GLN 33 -5.389 5.358 4.066 358 1HE2 GLN 33 2HE2 GLN 33 -7.374 5.520 6.959 359 2HE2 GLN 33 1HE2 GLN 33 -6.999 4.727 5.506 360 QB GLN 33 QB GLN 33 -3.403 6.123 5.421 361 QG GLN 33 QG GLN 33 -5.397 6.237 3.994 362 QE2 GLN 33 QE2 GLN 33 -7.187 5.123 6.232 363 H TYR 34 H TYR 34 -1.151 5.345 4.257 364 HA TYR 34 HA TYR 34 0.912 6.555 5.660 365 1HB TYR 34 2HB TYR 34 0.337 4.193 4.566 366 2HB TYR 34 1HB TYR 34 1.374 4.789 3.276 367 HD1 TYR 34 1HD TYR 34 1.283 3.848 6.855 368 HD2 TYR 34 2HD TYR 34 3.745 5.123 3.572 369 HE1 TYR 34 1HE TYR 34 3.315 3.277 8.159 370 HE2 TYR 34 2HE TYR 34 5.779 4.553 4.878 371 HH TYR 34 HH TYR 34 6.439 4.277 7.224 372 QB TYR 34 QB TYR 34 0.855 4.491 3.921 373 QG TYR 34 QD TYR 34 2.514 4.486 5.213 374 QZ TYR 34 QE TYR 34 4.547 3.915 6.519 375 QR TYR 34 QR TYR 34 3.530 4.200 5.866 376 H ALA 35 H ALA 35 0.655 6.266 2.126 377 HA ALA 35 HA ALA 35 2.907 7.803 1.318 378 1HB ALA 35 3HB ALA 35 0.261 6.962 0.178 379 2HB ALA 35 2HB ALA 35 1.241 8.116 -0.730 380 3HB ALA 35 1HB ALA 35 1.891 6.523 -0.333 381 QB ALA 35 QB ALA 35 1.131 7.200 -0.295 382 H ASN 36 H ASN 36 -0.514 8.828 1.660 383 HA ASN 36 HA ASN 36 -0.166 11.576 0.994 384 1HB ASN 36 2HB ASN 36 -2.110 9.897 2.511 385 2HB ASN 36 1HB ASN 36 -2.243 11.648 2.661 386 1HD2 ASN 36 2HD2 ASN 36 -2.523 10.280 -1.206 387 2HD2 ASN 36 1HD2 ASN 36 -1.281 9.697 -0.207 388 QB ASN 36 QB ASN 36 -2.176 10.773 2.586 389 QD2 ASN 36 QD2 ASN 36 -1.902 9.988 -0.706 390 H ASP 37 H ASP 37 -0.159 9.972 4.184 391 HA ASP 37 HA ASP 37 0.229 12.213 5.839 392 1HB ASP 37 2HB ASP 37 -0.234 9.864 6.534 393 2HB ASP 37 1HB ASP 37 1.428 9.446 6.116 394 QB ASP 37 QB ASP 37 0.597 9.655 6.325 395 H ASN 38 H ASN 38 2.503 10.684 3.708 396 HA ASN 38 HA ASN 38 4.733 12.236 4.868 397 1HB ASN 38 2HB ASN 38 4.469 9.597 4.039 398 2HB ASN 38 1HB ASN 38 5.340 10.357 2.710 399 1HD2 ASN 38 2HD2 ASN 38 7.125 10.408 6.423 400 2HD2 ASN 38 1HD2 ASN 38 5.431 10.440 6.327 401 QB ASN 38 QB ASN 38 4.904 9.977 3.374 402 QD2 ASN 38 QD2 ASN 38 6.278 10.424 6.375 403 H GLY 39 H GLY 39 2.916 11.709 1.882 404 1HA GLY 39 2HA GLY 39 2.620 13.803 0.490 405 2HA GLY 39 1HA GLY 39 4.358 14.041 0.673 406 QA GLY 39 QA GLY 39 3.489 13.922 0.582 407 H ILE 40 H ILE 40 2.736 10.951 0.061 408 HA ILE 40 HA ILE 40 4.326 10.696 -2.453 409 HB ILE 40 HB ILE 40 3.305 8.929 -0.286 410 1HG1 ILE 40 2HG1 ILE 40 5.548 7.870 -0.738 411 2HG1 ILE 40 1HG1 ILE 40 5.805 9.125 -1.955 412 1HG2 ILE 40 2HG2 ILE 40 2.298 7.944 -2.395 413 2HG2 ILE 40 1HG2 ILE 40 3.945 7.747 -2.992 414 3HG2 ILE 40 3HG2 ILE 40 3.424 6.896 -1.538 415 1HD1 ILE 40 2HD1 ILE 40 4.989 9.797 0.862 416 2HD1 ILE 40 1HD1 ILE 40 6.688 9.605 0.415 417 3HD1 ILE 40 3HD1 ILE 40 5.707 10.857 -0.356 418 QG1 ILE 40 QG1 ILE 40 5.676 8.497 -1.347 419 QG2 ILE 40 QG2 ILE 40 3.222 7.529 -2.308 420 QD1 ILE 40 QD1 ILE 40 5.795 10.086 0.307 421 H ASP 41 H ASP 41 3.160 11.355 -4.170 422 HA ASP 41 HA ASP 41 0.382 10.295 -4.514 423 1HB ASP 41 2HB ASP 41 0.701 12.742 -3.577 424 2HB ASP 41 1HB ASP 41 1.056 13.124 -5.262 425 QB ASP 41 QB ASP 41 0.878 12.933 -4.420 426 H GLY 42 H GLY 42 0.677 9.032 -6.322 427 1HA GLY 42 2HA GLY 42 1.356 10.311 -8.847 428 2HA GLY 42 1HA GLY 42 2.584 9.159 -8.323 429 QA GLY 42 QA GLY 42 1.970 9.735 -8.585 430 H GLU 43 H GLU 43 2.229 7.012 -8.745 431 HA GLU 43 HA GLU 43 -0.457 6.262 -9.855 432 1HB GLU 43 2HB GLU 43 2.036 6.145 -10.959 433 2HB GLU 43 1HB GLU 43 1.911 4.529 -10.265 434 1HG GLU 43 2HG GLU 43 -0.364 4.349 -11.393 435 2HG GLU 43 1HG GLU 43 0.046 5.828 -12.263 436 QB GLU 43 QB GLU 43 1.974 5.337 -10.612 437 QG GLU 43 QG GLU 43 -0.159 5.088 -11.828 438 H TRP 44 H TRP 44 -0.891 3.807 -9.540 439 HA TRP 44 HA TRP 44 0.152 2.617 -7.013 440 1HB TRP 44 2HB TRP 44 -2.595 3.784 -7.465 441 2HB TRP 44 1HB TRP 44 -2.423 2.360 -6.434 442 HD1 TRP 44 HD TRP 44 -1.515 6.060 -6.606 443 HE1 TRP 44 1HE TRP 44 -0.704 6.804 -4.274 444 HE3 TRP 44 3HE TRP 44 -1.347 1.535 -4.282 445 HZ2 TRP 44 2HZ TRP 44 -0.061 5.622 -1.749 446 HZ3 TRP 44 3HZ TRP 44 -0.629 1.367 -1.906 447 HH2 TRP 44 HH TRP 44 0.017 3.406 -0.646 448 QB TRP 44 QB TRP 44 -2.509 3.072 -6.949 449 H THR 45 H THR 45 0.285 0.438 -7.355 450 HA THR 45 HA THR 45 -1.687 -0.872 -9.174 451 HB THR 45 HB THR 45 0.014 -1.825 -10.539 452 HG1 THR 45 1HG THR 45 1.905 -2.250 -9.772 453 1HG2 THR 45 1HG2 THR 45 -0.365 0.576 -10.999 454 2HG2 THR 45 3HG2 THR 45 0.951 0.977 -9.892 455 3HG2 THR 45 2HG2 THR 45 1.289 0.089 -11.382 456 QG2 THR 45 QG2 THR 45 0.625 0.547 -10.758 457 H TYR 46 H TYR 46 -2.304 -2.823 -8.367 458 HA TYR 46 HA TYR 46 -0.913 -3.818 -5.930 459 1HB TYR 46 2HB TYR 46 -3.277 -3.404 -5.711 460 2HB TYR 46 1HB TYR 46 -3.630 -4.308 -7.187 461 HD1 TYR 46 1HD TYR 46 -1.598 -4.946 -4.090 462 HD2 TYR 46 2HD TYR 46 -4.640 -6.370 -6.767 463 HE1 TYR 46 1HE TYR 46 -1.768 -7.044 -2.782 464 HE2 TYR 46 2HE TYR 46 -4.810 -8.468 -5.455 465 HH TYR 46 HH TYR 46 -3.321 -9.795 -3.916 466 QB TYR 46 QB TYR 46 -3.454 -3.856 -6.449 467 QG TYR 46 QD TYR 46 -3.119 -5.658 -5.428 468 QZ TYR 46 QE TYR 46 -3.289 -7.756 -4.118 469 QR TYR 46 QR TYR 46 -3.204 -6.707 -4.773 470 H ASP 47 H ASP 47 -0.129 -5.949 -5.820 471 HA ASP 47 HA ASP 47 0.063 -7.417 -8.431 472 1HB ASP 47 2HB ASP 47 1.940 -7.243 -6.049 473 2HB ASP 47 1HB ASP 47 2.222 -8.245 -7.472 474 QB ASP 47 QB ASP 47 2.081 -7.744 -6.760 475 H ASP 48 H ASP 48 -1.657 -8.872 -8.171 476 HA ASP 48 HA ASP 48 -2.316 -10.182 -5.684 477 1HB ASP 48 2HB ASP 48 -3.781 -11.530 -7.176 478 2HB ASP 48 1HB ASP 48 -3.908 -9.804 -7.510 479 QB ASP 48 QB ASP 48 -3.844 -10.667 -7.343 480 H ALA 49 H ALA 49 0.318 -10.690 -7.743 481 HA ALA 49 HA ALA 49 0.473 -13.612 -7.342 482 1HB ALA 49 1HB ALA 49 1.680 -11.509 -9.022 483 2HB ALA 49 3HB ALA 49 2.818 -12.753 -8.509 484 3HB ALA 49 2HB ALA 49 1.366 -13.202 -9.403 485 QB ALA 49 QB ALA 49 1.955 -12.488 -8.978 486 H THR 50 H THR 50 1.804 -10.611 -6.076 487 HA THR 50 HA THR 50 3.445 -12.210 -4.138 488 HB THR 50 HB THR 50 5.032 -10.287 -4.241 489 HG1 THR 50 1HG THR 50 3.504 -8.723 -4.882 490 1HG2 THR 50 1HG2 THR 50 5.025 -12.339 -5.845 491 2HG2 THR 50 3HG2 THR 50 4.498 -11.178 -7.063 492 3HG2 THR 50 2HG2 THR 50 6.046 -10.957 -6.246 493 QG2 THR 50 QG2 THR 50 5.190 -11.491 -6.385 494 H LYS 51 H LYS 51 0.681 -10.445 -4.372 495 HA LYS 51 HA LYS 51 -0.598 -9.174 -2.852 496 1HB LYS 51 2HB LYS 51 1.391 -10.452 -0.941 497 2HB LYS 51 1HB LYS 51 -0.164 -9.760 -0.483 498 1HG LYS 51 2HG LYS 51 -0.308 -11.751 -2.663 499 2HG LYS 51 1HG LYS 51 0.227 -12.401 -1.115 500 1HD LYS 51 2HD LYS 51 -1.782 -11.085 -0.118 501 2HD LYS 51 1HD LYS 51 -2.373 -11.032 -1.780 502 1HE LYS 51 2HE LYS 51 -2.246 -13.505 -1.907 503 2HE LYS 51 1HE LYS 51 -1.679 -13.552 -0.225 504 1HZ LYS 51 2HZ LYS 51 -3.675 -12.328 0.427 505 2HZ LYS 51 1HZ LYS 51 -4.234 -12.368 -1.177 506 3HZ LYS 51 3HZ LYS 51 -4.075 -13.810 -0.300 507 QB LYS 51 QB LYS 51 0.614 -10.106 -0.712 508 QG LYS 51 QG LYS 51 -0.040 -12.076 -1.889 509 QD LYS 51 QD LYS 51 -2.077 -11.059 -0.949 510 QE LYS 51 QE LYS 51 -1.962 -13.529 -1.066 511 QZ LYS 51 QZ LYS 51 -3.995 -12.835 -0.350 512 H THR 52 H THR 52 1.599 -7.811 -4.150 513 HA THR 52 HA THR 52 2.347 -5.844 -1.995 514 HB THR 52 HB THR 52 3.939 -6.628 -4.453 515 HG1 THR 52 1HG THR 52 5.200 -7.781 -2.909 516 1HG2 THR 52 1HG2 THR 52 4.337 -4.783 -2.136 517 2HG2 THR 52 3HG2 THR 52 5.744 -5.630 -2.779 518 3HG2 THR 52 2HG2 THR 52 4.795 -4.575 -3.827 519 QG2 THR 52 QG2 THR 52 4.959 -4.996 -2.914 520 H PHE 53 H PHE 53 2.152 -3.646 -2.550 521 HA PHE 53 HA PHE 53 0.654 -3.074 -5.055 522 1HB PHE 53 2HB PHE 53 1.103 -1.649 -2.428 523 2HB PHE 53 1HB PHE 53 0.298 -0.865 -3.788 524 HD1 PHE 53 2HD PHE 53 0.116 -3.721 -1.414 525 HD2 PHE 53 1HD PHE 53 -1.960 -1.429 -4.405 526 HE1 PHE 53 2HE PHE 53 -2.015 -4.854 -0.810 527 HE2 PHE 53 1HE PHE 53 -4.073 -2.566 -3.802 528 1HZ PHE 53 HZ PHE 53 -4.099 -4.280 -2.015 529 QB PHE 53 QB PHE 53 0.701 -1.257 -3.108 530 QG PHE 53 QD PHE 53 -0.922 -2.575 -2.910 531 QZ PHE 53 QE PHE 53 -3.044 -3.710 -2.306 532 QZ PHE 53 QR PHE 53 -2.406 -3.370 -2.489 533 H THR 54 H THR 54 1.316 -0.407 -5.564 534 HA THR 54 HA THR 54 4.239 -0.076 -5.530 535 HB THR 54 HB THR 54 2.953 -0.083 -8.240 536 HG1 THR 54 1HG THR 54 3.512 -2.333 -8.382 537 1HG2 THR 54 1HG2 THR 54 5.683 -0.791 -7.143 538 2HG2 THR 54 3HG2 THR 54 5.242 -0.902 -8.847 539 3HG2 THR 54 2HG2 THR 54 5.247 0.665 -8.037 540 QG2 THR 54 QG2 THR 54 5.391 -0.343 -8.009 541 H VAL 55 H VAL 55 3.753 1.879 -4.505 542 HA VAL 55 HA VAL 55 1.936 3.761 -5.878 543 HB VAL 55 HB VAL 55 1.543 3.509 -3.533 544 1HG1 VAL 55 1HG1 VAL 55 4.511 4.013 -3.199 545 2HG1 VAL 55 3HG1 VAL 55 3.358 4.072 -1.866 546 3HG1 VAL 55 2HG1 VAL 55 3.598 2.565 -2.748 547 1HG2 VAL 55 3HG2 VAL 55 1.434 5.832 -4.405 548 2HG2 VAL 55 2HG2 VAL 55 1.872 5.784 -2.698 549 3HG2 VAL 55 1HG2 VAL 55 3.110 6.075 -3.918 550 QG1 VAL 55 QG1 VAL 55 3.822 3.550 -2.604 551 QG2 VAL 55 QG2 VAL 55 2.139 5.897 -3.674 552 QQG VAL 55 QQG VAL 55 2.981 4.723 -3.139 553 H THR 56 H THR 56 2.765 5.057 -7.358 554 HA THR 56 HA THR 56 5.630 5.856 -7.251 555 HB THR 56 HB THR 56 3.449 5.555 -9.298 556 HG1 THR 56 1HG THR 56 4.774 4.096 -9.976 557 1HG2 THR 56 1HG2 THR 56 5.875 7.335 -9.662 558 2HG2 THR 56 3HG2 THR 56 4.891 6.720 -10.992 559 3HG2 THR 56 2HG2 THR 56 4.181 7.809 -9.797 560 QG2 THR 56 QG2 THR 56 4.982 7.288 -10.150 561 H GLU 57 H GLU 57 5.992 8.243 -7.897 562 HA GLU 57 HA GLU 57 3.845 9.990 -6.729 563 1HB GLU 57 2HB GLU 57 5.925 9.506 -5.327 564 2HB GLU 57 1HB GLU 57 6.845 10.389 -6.545 565 1HG GLU 57 2HG GLU 57 4.620 12.029 -5.918 566 2HG GLU 57 1HG GLU 57 5.231 11.431 -4.376 567 QB GLU 57 QB GLU 57 6.385 9.948 -5.936 568 QG GLU 57 QG GLU 57 4.926 11.730 -5.147 No H/Q in entry = 568 Start of MODEL 35 1 1H MET 1 3HT MET 1 -3.389 -15.363 6.035 2 2H MET 1 2HT MET 1 -2.139 -16.062 6.949 3 3H MET 1 1HT MET 1 -2.416 -14.387 7.021 4 HA MET 1 HA MET 1 -0.486 -14.832 5.636 5 1HB MET 1 2HB MET 1 -2.526 -16.712 4.461 6 2HB MET 1 1HB MET 1 -1.168 -16.162 3.480 7 1HG MET 1 2HG MET 1 0.401 -16.964 5.226 8 2HG MET 1 1HG MET 1 -0.969 -17.556 6.166 9 1HE MET 1 2HE MET 1 1.532 -18.866 5.312 10 2HE MET 1 1HE MET 1 1.314 -20.330 4.358 11 3HE MET 1 3HE MET 1 1.707 -18.801 3.560 12 QB MET 1 QB MET 1 -1.847 -16.437 3.970 13 QG MET 1 QG MET 1 -0.284 -17.260 5.696 14 QE MET 1 QE MET 1 1.517 -19.332 4.410 15 H THR 2 H THR 2 -2.206 -12.671 5.962 16 HA THR 2 HA THR 2 -2.772 -11.811 3.141 17 HB THR 2 HB THR 2 -4.125 -10.936 5.712 18 HG1 THR 2 1HG THR 2 -5.833 -12.280 4.880 19 1HG2 THR 2 2HG2 THR 2 -4.342 -10.200 2.851 20 2HG2 THR 2 1HG2 THR 2 -5.873 -10.470 3.681 21 3HG2 THR 2 3HG2 THR 2 -4.742 -9.263 4.291 22 QG2 THR 2 QG2 THR 2 -4.986 -9.978 3.608 23 H THR 3 H THR 3 -0.286 -11.511 4.870 24 HA THR 3 HA THR 3 -0.091 -8.767 5.756 25 HB THR 3 HB THR 3 2.126 -10.609 4.816 26 HG1 THR 3 1HG THR 3 2.054 -11.454 6.908 27 1HG2 THR 3 3HG2 THR 3 2.318 -8.060 5.655 28 2HG2 THR 3 2HG2 THR 3 2.315 -8.870 7.223 29 3HG2 THR 3 1HG2 THR 3 3.546 -9.272 6.023 30 QG2 THR 3 QG2 THR 3 2.726 -8.734 6.300 31 H PHE 4 H PHE 4 -0.509 -7.178 4.234 32 HA PHE 4 HA PHE 4 0.449 -7.457 1.453 33 1HB PHE 4 2HB PHE 4 -1.152 -5.410 3.008 34 2HB PHE 4 1HB PHE 4 -0.739 -5.204 1.305 35 HD1 PHE 4 2HD PHE 4 -1.227 -7.351 -0.204 36 HD2 PHE 4 1HD PHE 4 -3.171 -6.450 3.517 37 HE1 PHE 4 2HE PHE 4 -3.123 -8.814 -0.842 38 HE2 PHE 4 1HE PHE 4 -5.066 -7.912 2.878 39 1HZ PHE 4 HZ PHE 4 -5.044 -9.094 0.699 40 QB PHE 4 QB PHE 4 -0.945 -5.307 2.157 41 QG PHE 4 QD PHE 4 -2.199 -6.901 1.657 42 QZ PHE 4 QE PHE 4 -4.094 -8.363 1.018 43 QZ PHE 4 QR PHE 4 -3.526 -7.924 1.210 44 H LYS 5 H LYS 5 2.065 -6.164 0.539 45 HA LYS 5 HA LYS 5 3.751 -4.603 2.467 46 1HB LYS 5 2HB LYS 5 4.416 -6.013 -0.145 47 2HB LYS 5 1HB LYS 5 5.581 -5.179 0.884 48 1HG LYS 5 2HG LYS 5 4.731 -6.746 2.766 49 2HG LYS 5 1HG LYS 5 4.043 -7.710 1.459 50 1HD LYS 5 2HD LYS 5 6.527 -7.350 0.469 51 2HD LYS 5 1HD LYS 5 6.893 -7.275 2.194 52 1HE LYS 5 2HE LYS 5 5.396 -9.432 2.340 53 2HE LYS 5 1HE LYS 5 5.754 -9.565 0.607 54 1HZ LYS 5 2HZ LYS 5 7.785 -9.170 2.742 55 2HZ LYS 5 1HZ LYS 5 7.456 -10.653 1.982 56 3HZ LYS 5 3HZ LYS 5 8.097 -9.364 1.084 57 QB LYS 5 QB LYS 5 4.999 -5.596 0.369 58 QG LYS 5 QG LYS 5 4.387 -7.228 2.112 59 QD LYS 5 QD LYS 5 6.710 -7.312 1.332 60 QE LYS 5 QE LYS 5 5.575 -9.499 1.473 61 QZ LYS 5 QZ LYS 5 7.779 -9.729 1.936 62 H LEU 6 H LEU 6 5.249 -3.133 0.662 63 HA LEU 6 HA LEU 6 3.584 -1.856 -1.370 64 1HB LEU 6 2HB LEU 6 2.568 -1.015 0.704 65 2HB LEU 6 1HB LEU 6 4.144 -0.460 1.269 66 HG LEU 6 HG LEU 6 4.247 0.958 -0.863 67 1HD1 LEU 6 2HD1 LEU 6 1.308 0.216 -0.873 68 2HD1 LEU 6 1HD1 LEU 6 2.026 1.494 -1.854 69 3HD1 LEU 6 3HD1 LEU 6 2.490 -0.186 -2.118 70 1HD2 LEU 6 2HD2 LEU 6 3.467 1.613 1.583 71 2HD2 LEU 6 1HD2 LEU 6 3.277 2.753 0.252 72 3HD2 LEU 6 3HD2 LEU 6 1.898 1.801 0.799 73 QB LEU 6 QB LEU 6 3.356 -0.738 0.986 74 QD1 LEU 6 QD1 LEU 6 1.941 0.508 -1.615 75 QD2 LEU 6 QD2 LEU 6 2.881 2.056 0.878 76 QQD LEU 6 QQD LEU 6 2.411 1.282 -0.369 77 H ILE 7 H ILE 7 5.230 -1.704 -2.848 78 HA ILE 7 HA ILE 7 7.955 -0.907 -2.037 79 HB ILE 7 HB ILE 7 6.656 -1.579 -4.706 80 1HG1 ILE 7 2HG1 ILE 7 8.578 -3.297 -3.138 81 2HG1 ILE 7 1HG1 ILE 7 6.846 -3.353 -2.811 82 1HG2 ILE 7 3HG2 ILE 7 9.403 -0.748 -3.914 83 2HG2 ILE 7 2HG2 ILE 7 9.284 -2.079 -5.066 84 3HG2 ILE 7 1HG2 ILE 7 8.554 -0.518 -5.443 85 1HD1 ILE 7 2HD1 ILE 7 6.617 -3.652 -5.396 86 2HD1 ILE 7 1HD1 ILE 7 8.316 -4.118 -5.322 87 3HD1 ILE 7 3HD1 ILE 7 7.111 -5.037 -4.422 88 QG1 ILE 7 QG1 ILE 7 7.712 -3.325 -2.974 89 QG2 ILE 7 QG2 ILE 7 9.080 -1.115 -4.808 90 QD1 ILE 7 QD1 ILE 7 7.348 -4.269 -5.047 91 H ILE 8 H ILE 8 8.413 1.263 -1.895 92 HA ILE 8 HA ILE 8 6.626 3.181 -3.266 93 HB ILE 8 HB ILE 8 8.977 3.890 -1.516 94 1HG1 ILE 8 2HG1 ILE 8 7.472 2.108 -0.393 95 2HG1 ILE 8 1HG1 ILE 8 7.735 3.596 0.494 96 1HG2 ILE 8 1HG2 ILE 8 6.587 5.213 -2.634 97 2HG2 ILE 8 3HG2 ILE 8 6.891 5.574 -0.935 98 3HG2 ILE 8 2HG2 ILE 8 8.137 5.901 -2.138 99 1HD1 ILE 8 3HD1 ILE 8 5.376 3.510 -1.316 100 2HD1 ILE 8 2HD1 ILE 8 5.293 2.539 0.150 101 3HD1 ILE 8 1HD1 ILE 8 5.557 4.281 0.261 102 QG1 ILE 8 QG1 ILE 8 7.604 2.852 0.051 103 QG2 ILE 8 QG2 ILE 8 7.205 5.562 -1.902 104 QD1 ILE 8 QD1 ILE 8 5.409 3.443 -0.302 105 H ASN 9 H ASN 9 7.228 3.691 -5.351 106 HA ASN 9 HA ASN 9 10.142 3.735 -6.030 107 1HB ASN 9 2HB ASN 9 8.662 2.252 -7.325 108 2HB ASN 9 1HB ASN 9 7.628 3.619 -7.726 109 1HD2 ASN 9 2HD2 ASN 9 9.683 4.704 -10.387 110 2HD2 ASN 9 1HD2 ASN 9 8.241 4.923 -9.518 111 QB ASN 9 QB ASN 9 8.145 2.936 -7.525 112 QD2 ASN 9 QD2 ASN 9 8.962 4.814 -9.953 113 H GLY 10 H GLY 10 9.624 5.919 -4.602 114 1HA GLY 10 2HA GLY 10 9.297 8.088 -6.634 115 2HA GLY 10 1HA GLY 10 8.581 8.228 -5.027 116 QA GLY 10 QA GLY 10 8.939 8.158 -5.831 117 H LYS 11 H LYS 11 9.842 10.054 -4.457 118 HA LYS 11 HA LYS 11 12.790 9.560 -4.198 119 1HB LYS 11 2HB LYS 11 12.932 12.049 -4.267 120 2HB LYS 11 1HB LYS 11 12.157 11.391 -5.707 121 1HG LYS 11 2HG LYS 11 9.975 11.989 -4.919 122 2HG LYS 11 1HG LYS 11 10.586 12.347 -3.304 123 1HD LYS 11 2HD LYS 11 11.424 14.391 -3.923 124 2HD LYS 11 1HD LYS 11 11.821 13.850 -5.555 125 1HE LYS 11 2HE LYS 11 9.998 15.182 -6.069 126 2HE LYS 11 1HE LYS 11 9.120 13.688 -5.686 127 1HZ LYS 11 2HZ LYS 11 9.847 15.763 -3.686 128 2HZ LYS 11 1HZ LYS 11 8.317 15.640 -4.414 129 3HZ LYS 11 3HZ LYS 11 8.886 14.387 -3.422 130 QB LYS 11 QB LYS 11 12.545 11.720 -4.987 131 QG LYS 11 QG LYS 11 10.281 12.168 -4.112 132 QD LYS 11 QD LYS 11 11.623 14.121 -4.739 133 QE LYS 11 QE LYS 11 9.559 14.435 -5.877 134 QZ LYS 11 QZ LYS 11 9.017 15.263 -3.841 135 H THR 12 H THR 12 9.839 10.406 -2.501 136 HA THR 12 HA THR 12 11.178 11.297 -0.051 137 HB THR 12 HB THR 12 8.711 11.039 0.746 138 HG1 THR 12 1HG THR 12 7.310 10.995 -1.139 139 1HG2 THR 12 2HG2 THR 12 10.049 13.077 -0.389 140 2HG2 THR 12 1HG2 THR 12 8.813 12.837 -1.624 141 3HG2 THR 12 3HG2 THR 12 8.341 13.190 0.039 142 QG2 THR 12 QG2 THR 12 9.068 13.035 -0.658 143 H LEU 13 H LEU 13 9.580 8.323 -1.191 144 HA LEU 13 HA LEU 13 10.631 6.918 1.249 145 1HB LEU 13 2HB LEU 13 8.004 7.037 -0.099 146 2HB LEU 13 1HB LEU 13 8.524 5.413 0.345 147 HG LEU 13 HG LEU 13 8.439 7.778 2.240 148 1HD1 LEU 13 1HD1 LEU 13 6.478 5.642 1.514 149 2HD1 LEU 13 3HD1 LEU 13 6.624 6.067 3.221 150 3HD1 LEU 13 2HD1 LEU 13 6.192 7.303 2.044 151 1HD2 LEU 13 1HD2 LEU 13 9.383 4.951 2.417 152 2HD2 LEU 13 3HD2 LEU 13 9.994 6.390 3.233 153 3HD2 LEU 13 2HD2 LEU 13 8.527 5.602 3.814 154 QB LEU 13 QB LEU 13 8.264 6.225 0.123 155 QD1 LEU 13 QD1 LEU 13 6.431 6.337 2.260 156 QD2 LEU 13 QD2 LEU 13 9.301 5.648 3.155 157 QQD LEU 13 QQD LEU 13 7.866 5.993 2.707 158 H LYS 14 H LYS 14 10.929 4.507 0.812 159 HA LYS 14 HA LYS 14 11.169 3.458 -1.834 160 1HB LYS 14 2HB LYS 14 13.676 3.504 -1.957 161 2HB LYS 14 1HB LYS 14 12.964 5.114 -2.010 162 1HG LYS 14 2HG LYS 14 14.131 5.715 -0.180 163 2HG LYS 14 1HG LYS 14 13.383 4.414 0.743 164 1HD LYS 14 2HD LYS 14 15.761 4.056 0.825 165 2HD LYS 14 1HD LYS 14 15.097 2.845 -0.272 166 1HE LYS 14 2HE LYS 14 15.638 4.422 -2.190 167 2HE LYS 14 1HE LYS 14 16.533 5.410 -1.019 168 1HZ LYS 14 1HZ LYS 14 16.954 2.499 -1.441 169 2HZ LYS 14 3HZ LYS 14 17.940 3.712 -2.099 170 3HZ LYS 14 2HZ LYS 14 17.851 3.512 -0.414 171 QB LYS 14 QB LYS 14 13.320 4.309 -1.983 172 QG LYS 14 QG LYS 14 13.757 5.064 0.282 173 QD LYS 14 QD LYS 14 15.429 3.451 0.277 174 QE LYS 14 QE LYS 14 16.086 4.916 -1.605 175 QZ LYS 14 QZ LYS 14 17.582 3.241 -1.318 176 H GLY 15 H GLY 15 10.084 1.805 -0.419 177 1HA GLY 15 2HA GLY 15 11.903 -0.274 0.366 178 2HA GLY 15 1HA GLY 15 11.302 0.550 1.803 179 QA GLY 15 QA GLY 15 11.603 0.138 1.085 180 H GLU 16 H GLU 16 10.443 -1.761 2.101 181 HA GLU 16 HA GLU 16 7.735 -1.997 0.825 182 1HB GLU 16 2HB GLU 16 9.909 -3.995 1.433 183 2HB GLU 16 1HB GLU 16 8.233 -4.519 1.269 184 1HG GLU 16 2HG GLU 16 8.173 -4.084 -0.984 185 2HG GLU 16 1HG GLU 16 9.276 -2.713 -0.854 186 QB GLU 16 QB GLU 16 9.071 -4.257 1.351 187 QG GLU 16 QG GLU 16 8.725 -3.398 -0.919 188 H ILE 17 H ILE 17 6.369 -1.347 2.471 189 HA ILE 17 HA ILE 17 6.951 -2.106 5.281 190 HB ILE 17 HB ILE 17 4.781 -0.424 3.974 191 1HG1 ILE 17 2HG1 ILE 17 6.273 1.350 5.298 192 2HG1 ILE 17 1HG1 ILE 17 7.524 0.136 5.037 193 1HG2 ILE 17 2HG2 ILE 17 5.462 -1.065 6.836 194 2HG2 ILE 17 1HG2 ILE 17 4.713 0.477 6.426 195 3HG2 ILE 17 3HG2 ILE 17 3.882 -1.033 6.057 196 1HD1 ILE 17 2HD1 ILE 17 5.852 0.755 2.671 197 2HD1 ILE 17 1HD1 ILE 17 6.901 2.061 3.218 198 3HD1 ILE 17 3HD1 ILE 17 7.592 0.499 2.785 199 QG1 ILE 17 QG1 ILE 17 6.899 0.743 5.167 200 QG2 ILE 17 QG2 ILE 17 4.686 -0.540 6.440 201 QD1 ILE 17 QD1 ILE 17 6.782 1.105 2.891 202 H THR 18 H THR 18 6.316 -4.190 5.741 203 HA THR 18 HA THR 18 4.008 -5.437 4.408 204 HB THR 18 HB THR 18 4.752 -7.387 5.748 205 HG1 THR 18 1HG THR 18 5.520 -6.747 7.607 206 1HG2 THR 18 3HG2 THR 18 6.289 -5.982 3.803 207 2HG2 THR 18 2HG2 THR 18 7.412 -6.607 5.009 208 3HG2 THR 18 1HG2 THR 18 6.320 -7.706 4.170 209 QG2 THR 18 QG2 THR 18 6.674 -6.765 4.328 210 H ILE 19 H ILE 19 1.956 -5.288 5.203 211 HA ILE 19 HA ILE 19 1.544 -5.105 8.151 212 HB ILE 19 HB ILE 19 -0.025 -3.214 7.790 213 1HG1 ILE 19 2HG1 ILE 19 0.544 -2.130 5.359 214 2HG1 ILE 19 1HG1 ILE 19 0.613 -3.846 4.958 215 1HG2 ILE 19 3HG2 ILE 19 2.469 -2.914 8.239 216 2HG2 ILE 19 2HG2 ILE 19 2.643 -2.580 6.516 217 3HG2 ILE 19 1HG2 ILE 19 1.645 -1.530 7.522 218 1HD1 ILE 19 2HD1 ILE 19 -1.639 -3.901 6.383 219 2HD1 ILE 19 1HD1 ILE 19 -1.708 -2.207 5.897 220 3HD1 ILE 19 3HD1 ILE 19 -1.653 -3.476 4.671 221 QG1 ILE 19 QG1 ILE 19 0.578 -2.988 5.158 222 QG2 ILE 19 QG2 ILE 19 2.252 -2.341 7.426 223 QD1 ILE 19 QD1 ILE 19 -1.667 -3.195 5.650 224 H GLU 20 H GLU 20 -0.165 -6.367 8.794 225 HA GLU 20 HA GLU 20 -1.584 -7.995 6.828 226 1HB GLU 20 2HB GLU 20 -0.751 -8.414 9.317 227 2HB GLU 20 1HB GLU 20 -2.350 -7.786 9.720 228 1HG GLU 20 2HG GLU 20 -3.402 -9.476 8.286 229 2HG GLU 20 1HG GLU 20 -1.815 -10.086 7.818 230 QB GLU 20 QB GLU 20 -1.551 -8.100 9.518 231 QG GLU 20 QG GLU 20 -2.609 -9.781 8.052 232 H ALA 21 H ALA 21 -3.973 -8.096 6.727 233 HA ALA 21 HA ALA 21 -5.618 -5.951 7.810 234 1HB ALA 21 2HB ALA 21 -4.050 -5.208 5.715 235 2HB ALA 21 1HB ALA 21 -5.466 -5.797 4.846 236 3HB ALA 21 3HB ALA 21 -5.634 -4.499 6.028 237 QB ALA 21 QB ALA 21 -5.050 -5.168 5.530 238 H VAL 22 H VAL 22 -7.885 -6.124 6.930 239 HA VAL 22 HA VAL 22 -8.888 -8.751 6.863 240 HB VAL 22 HB VAL 22 -10.170 -6.703 7.365 241 1HG1 VAL 22 2HG1 VAL 22 -9.001 -5.436 5.427 242 2HG1 VAL 22 1HG1 VAL 22 -10.260 -6.128 4.405 243 3HG1 VAL 22 3HG1 VAL 22 -10.697 -5.070 5.745 244 1HG2 VAL 22 1HG2 VAL 22 -11.054 -8.696 5.354 245 2HG2 VAL 22 3HG2 VAL 22 -11.780 -8.256 6.899 246 3HG2 VAL 22 2HG2 VAL 22 -12.053 -7.248 5.478 247 QG1 VAL 22 QG1 VAL 22 -9.986 -5.545 5.192 248 QG2 VAL 22 QG2 VAL 22 -11.629 -8.067 5.910 249 QQG VAL 22 QQG VAL 22 -10.807 -6.806 5.551 250 H ASP 23 H ASP 23 -7.977 -6.618 4.188 251 HA ASP 23 HA ASP 23 -7.581 -8.887 2.377 252 1HB ASP 23 2HB ASP 23 -9.994 -7.130 2.354 253 2HB ASP 23 1HB ASP 23 -9.286 -7.521 0.787 254 QB ASP 23 QB ASP 23 -9.640 -7.326 1.571 255 H ALA 24 H ALA 24 -6.974 -7.878 0.093 256 HA ALA 24 HA ALA 24 -4.834 -6.019 0.489 257 1HB ALA 24 2HB ALA 24 -5.446 -7.767 -1.412 258 2HB ALA 24 1HB ALA 24 -6.186 -6.356 -2.169 259 3HB ALA 24 3HB ALA 24 -4.463 -6.348 -1.784 260 QB ALA 24 QB ALA 24 -5.365 -6.824 -1.789 261 H ALA 25 H ALA 25 -8.226 -5.594 -0.370 262 HA ALA 25 HA ALA 25 -8.217 -2.951 -1.362 263 1HB ALA 25 1HB ALA 25 -10.088 -4.852 -0.109 264 2HB ALA 25 3HB ALA 25 -10.544 -3.160 0.095 265 3HB ALA 25 2HB ALA 25 -10.319 -3.824 -1.523 266 QB ALA 25 QB ALA 25 -10.317 -3.945 -0.512 267 H GLU 26 H GLU 26 -8.343 -4.146 1.990 268 HA GLU 26 HA GLU 26 -8.510 -1.517 3.217 269 1HB GLU 26 2HB GLU 26 -9.239 -3.676 4.245 270 2HB GLU 26 1HB GLU 26 -7.553 -4.192 4.301 271 1HG GLU 26 2HG GLU 26 -7.030 -2.775 6.030 272 2HG GLU 26 1HG GLU 26 -8.179 -1.542 5.504 273 QB GLU 26 QB GLU 26 -8.396 -3.934 4.273 274 QG GLU 26 QG GLU 26 -7.605 -2.158 5.767 275 H ALA 27 H ALA 27 -5.866 -3.850 2.635 276 HA ALA 27 HA ALA 27 -3.720 -2.393 3.810 277 1HB ALA 27 2HB ALA 27 -4.116 -4.514 1.771 278 2HB ALA 27 1HB ALA 27 -2.577 -3.653 1.674 279 3HB ALA 27 3HB ALA 27 -3.033 -4.487 3.163 280 QB ALA 27 QB ALA 27 -3.242 -4.218 2.203 281 H GLU 28 H GLU 28 -5.168 -2.221 0.565 282 HA GLU 28 HA GLU 28 -3.339 -0.375 -0.622 283 1HB GLU 28 2HB GLU 28 -5.274 -1.785 -1.623 284 2HB GLU 28 1HB GLU 28 -6.320 -0.456 -1.123 285 1HG GLU 28 2HG GLU 28 -4.738 1.096 -2.388 286 2HG GLU 28 1HG GLU 28 -4.006 -0.353 -3.078 287 QB GLU 28 QB GLU 28 -5.797 -1.121 -1.373 288 QG GLU 28 QG GLU 28 -4.372 0.372 -2.733 289 H LYS 29 H LYS 29 -6.277 0.116 1.347 290 HA LYS 29 HA LYS 29 -6.297 3.003 1.165 291 1HB LYS 29 2HB LYS 29 -7.432 0.926 3.043 292 2HB LYS 29 1HB LYS 29 -7.674 2.648 3.334 293 1HG LYS 29 2HG LYS 29 -8.315 2.443 0.667 294 2HG LYS 29 1HG LYS 29 -8.894 0.900 1.296 295 1HD LYS 29 2HD LYS 29 -10.755 2.187 1.739 296 2HD LYS 29 1HD LYS 29 -9.854 2.482 3.227 297 1HE LYS 29 2HE LYS 29 -10.257 4.684 2.623 298 2HE LYS 29 1HE LYS 29 -8.778 4.423 1.675 299 1HZ LYS 29 1HZ LYS 29 -11.516 3.834 0.686 300 2HZ LYS 29 3HZ LYS 29 -10.672 5.263 0.334 301 3HZ LYS 29 2HZ LYS 29 -10.072 3.769 -0.206 302 QB LYS 29 QB LYS 29 -7.553 1.787 3.188 303 QG LYS 29 QG LYS 29 -8.605 1.671 0.981 304 QD LYS 29 QD LYS 29 -10.304 2.334 2.483 305 QE LYS 29 QE LYS 29 -9.517 4.554 2.149 306 QZ LYS 29 QZ LYS 29 -10.754 4.289 0.271 307 H ILE 30 H ILE 30 -5.086 0.734 3.655 308 HA ILE 30 HA ILE 30 -3.953 2.644 5.445 309 HB ILE 30 HB ILE 30 -3.109 -0.188 4.705 310 1HG1 ILE 30 2HG1 ILE 30 -4.854 0.821 6.975 311 2HG1 ILE 30 1HG1 ILE 30 -5.475 0.108 5.487 312 1HG2 ILE 30 3HG2 ILE 30 -1.344 1.057 5.944 313 2HG2 ILE 30 2HG2 ILE 30 -2.515 1.425 7.211 314 3HG2 ILE 30 1HG2 ILE 30 -2.033 -0.246 6.914 315 1HD1 ILE 30 2HD1 ILE 30 -3.594 -1.752 6.297 316 2HD1 ILE 30 1HD1 ILE 30 -4.278 -1.202 7.827 317 3HD1 ILE 30 3HD1 ILE 30 -5.331 -1.872 6.582 318 QG1 ILE 30 QG1 ILE 30 -5.164 0.465 6.231 319 QG2 ILE 30 QG2 ILE 30 -1.964 0.745 6.690 320 QD1 ILE 30 QD1 ILE 30 -4.401 -1.609 6.902 321 H PHE 31 H PHE 31 -2.561 0.959 2.633 322 HA PHE 31 HA PHE 31 0.045 2.215 2.801 323 1HB PHE 31 2HB PHE 31 -1.545 0.662 0.759 324 2HB PHE 31 1HB PHE 31 0.012 1.363 0.322 325 HD1 PHE 31 2HD PHE 31 1.684 1.061 2.641 326 HD2 PHE 31 1HD PHE 31 -1.306 -1.624 1.120 327 HE1 PHE 31 2HE PHE 31 2.844 -0.843 3.725 328 HE2 PHE 31 1HE PHE 31 -0.145 -3.526 2.206 329 1HZ PHE 31 HZ PHE 31 1.927 -3.136 3.506 330 QB PHE 31 QB PHE 31 -0.767 1.012 0.540 331 QG PHE 31 QD PHE 31 0.189 -0.281 1.880 332 QZ PHE 31 QE PHE 31 1.349 -2.185 2.965 333 QZ PHE 31 QR PHE 31 1.001 -1.614 2.640 334 H LYS 32 H LYS 32 -2.958 2.922 1.025 335 HA LYS 32 HA LYS 32 -1.887 5.165 -0.443 336 1HB LYS 32 2HB LYS 32 -4.629 4.071 0.149 337 2HB LYS 32 1HB LYS 32 -4.414 5.548 -0.784 338 1HG LYS 32 2HG LYS 32 -2.665 3.360 -1.681 339 2HG LYS 32 1HG LYS 32 -4.381 2.984 -1.828 340 1HD LYS 32 2HD LYS 32 -3.076 5.508 -2.893 341 2HD LYS 32 1HD LYS 32 -3.476 4.093 -3.868 342 1HE LYS 32 2HE LYS 32 -5.690 4.636 -3.947 343 2HE LYS 32 1HE LYS 32 -5.725 5.097 -2.233 344 1HZ LYS 32 1HZ LYS 32 -4.419 7.095 -2.854 345 2HZ LYS 32 3HZ LYS 32 -4.623 6.688 -4.487 346 3HZ LYS 32 2HZ LYS 32 -5.975 7.072 -3.533 347 QB LYS 32 QB LYS 32 -4.521 4.809 -0.317 348 QG LYS 32 QG LYS 32 -3.523 3.172 -1.755 349 QD LYS 32 QD LYS 32 -3.276 4.801 -3.381 350 QE LYS 32 QE LYS 32 -5.707 4.866 -3.090 351 QZ LYS 32 QZ LYS 32 -5.006 6.952 -3.625 352 H GLN 33 H GLN 33 -2.436 4.877 2.836 353 HA GLN 33 HA GLN 33 -3.313 7.740 3.135 354 1HB GLN 33 2HB GLN 33 -4.614 5.924 4.311 355 2HB GLN 33 1HB GLN 33 -3.130 5.442 5.135 356 1HG GLN 33 2HG GLN 33 -2.967 7.606 6.225 357 2HG GLN 33 1HG GLN 33 -4.340 8.216 5.301 358 1HE2 GLN 33 2HE2 GLN 33 -5.038 6.256 8.725 359 2HE2 GLN 33 1HE2 GLN 33 -3.498 6.799 8.262 360 QB GLN 33 QB GLN 33 -3.872 5.683 4.723 361 QG GLN 33 QG GLN 33 -3.653 7.911 5.763 362 QE2 GLN 33 QE2 GLN 33 -4.268 6.527 8.493 363 H TYR 34 H TYR 34 -1.124 5.217 4.137 364 HA TYR 34 HA TYR 34 0.875 6.501 5.609 365 1HB TYR 34 2HB TYR 34 0.735 4.143 5.281 366 2HB TYR 34 1HB TYR 34 0.674 4.316 3.526 367 HD1 TYR 34 1HD TYR 34 2.957 5.443 6.314 368 HD2 TYR 34 2HD TYR 34 2.629 3.561 2.468 369 HE1 TYR 34 1HE TYR 34 5.417 5.148 6.252 370 HE2 TYR 34 2HE TYR 34 5.091 3.266 2.403 371 HH TYR 34 HH TYR 34 7.079 4.133 3.386 372 QB TYR 34 QB TYR 34 0.704 4.230 4.404 373 QG TYR 34 QD TYR 34 2.793 4.502 4.391 374 QZ TYR 34 QE TYR 34 5.254 4.207 4.327 375 QR TYR 34 QR TYR 34 4.023 4.354 4.359 376 H ALA 35 H ALA 35 0.200 6.596 2.135 377 HA ALA 35 HA ALA 35 2.699 7.989 1.392 378 1HB ALA 35 3HB ALA 35 0.331 6.750 0.110 379 2HB ALA 35 2HB ALA 35 0.894 8.224 -0.694 380 3HB ALA 35 1HB ALA 35 1.998 6.857 -0.485 381 QB ALA 35 QB ALA 35 1.075 7.277 -0.356 382 H ASN 36 H ASN 36 -0.805 8.735 1.534 383 HA ASN 36 HA ASN 36 -0.580 11.524 0.860 384 1HB ASN 36 2HB ASN 36 -2.637 9.735 2.128 385 2HB ASN 36 1HB ASN 36 -2.932 11.465 1.962 386 1HD2 ASN 36 2HD2 ASN 36 -2.755 9.146 -1.425 387 2HD2 ASN 36 1HD2 ASN 36 -2.085 8.562 0.021 388 QB ASN 36 QB ASN 36 -2.784 10.600 2.045 389 QD2 ASN 36 QD2 ASN 36 -2.420 8.854 -0.702 390 H ASP 37 H ASP 37 -0.931 9.866 4.003 391 HA ASP 37 HA ASP 37 -1.195 12.001 5.765 392 1HB ASP 37 2HB ASP 37 -0.877 9.361 5.996 393 2HB ASP 37 1HB ASP 37 0.762 9.847 6.431 394 QB ASP 37 QB ASP 37 -0.058 9.604 6.214 395 H ASN 38 H ASN 38 1.656 11.063 4.014 396 HA ASN 38 HA ASN 38 3.298 13.082 5.409 397 1HB ASN 38 2HB ASN 38 3.859 10.547 4.822 398 2HB ASN 38 1HB ASN 38 4.316 11.255 3.272 399 1HD2 ASN 38 2HD2 ASN 38 6.860 11.571 6.336 400 2HD2 ASN 38 1HD2 ASN 38 5.547 10.496 6.308 401 QB ASN 38 QB ASN 38 4.087 10.901 4.047 402 QD2 ASN 38 QD2 ASN 38 6.203 11.033 6.322 403 H GLY 39 H GLY 39 2.354 12.036 2.148 404 1HA GLY 39 2HA GLY 39 1.542 14.004 0.693 405 2HA GLY 39 1HA GLY 39 3.108 14.726 1.088 406 QA GLY 39 QA GLY 39 2.325 14.365 0.891 407 H ILE 40 H ILE 40 1.843 11.576 -0.061 408 HA ILE 40 HA ILE 40 4.226 11.394 -1.877 409 HB ILE 40 HB ILE 40 2.472 9.388 -0.507 410 1HG1 ILE 40 2HG1 ILE 40 4.509 10.974 0.564 411 2HG1 ILE 40 1HG1 ILE 40 3.830 9.539 1.301 412 1HG2 ILE 40 2HG2 ILE 40 3.373 8.570 -2.666 413 2HG2 ILE 40 1HG2 ILE 40 5.002 8.851 -2.052 414 3HG2 ILE 40 3HG2 ILE 40 3.959 7.657 -1.273 415 1HD1 ILE 40 3HD1 ILE 40 6.127 9.469 -0.648 416 2HD1 ILE 40 2HD1 ILE 40 6.338 9.561 1.105 417 3HD1 ILE 40 1HD1 ILE 40 5.544 8.158 0.382 418 QG1 ILE 40 QG1 ILE 40 4.170 10.257 0.932 419 QG2 ILE 40 QG2 ILE 40 4.111 8.359 -1.997 420 QD1 ILE 40 QD1 ILE 40 6.003 9.063 0.280 421 H ASP 41 H ASP 41 3.778 11.096 -4.045 422 HA ASP 41 HA ASP 41 0.930 10.581 -4.846 423 1HB ASP 41 2HB ASP 41 2.487 12.862 -5.234 424 2HB ASP 41 1HB ASP 41 2.651 12.000 -6.764 425 QB ASP 41 QB ASP 41 2.569 12.431 -5.999 426 H GLY 42 H GLY 42 1.238 10.008 -7.471 427 1HA GLY 42 2HA GLY 42 2.958 8.791 -8.899 428 2HA GLY 42 1HA GLY 42 3.214 7.786 -7.479 429 QA GLY 42 QA GLY 42 3.086 8.289 -8.189 430 H GLU 43 H GLU 43 2.698 6.266 -9.436 431 HA GLU 43 HA GLU 43 -0.202 5.891 -9.925 432 1HB GLU 43 2HB GLU 43 1.561 5.669 -11.674 433 2HB GLU 43 1HB GLU 43 2.269 4.336 -10.757 434 1HG GLU 43 2HG GLU 43 0.402 2.933 -11.135 435 2HG GLU 43 1HG GLU 43 -0.628 4.285 -11.606 436 QB GLU 43 QB GLU 43 1.915 5.002 -11.216 437 QG GLU 43 QG GLU 43 -0.113 3.609 -11.370 438 H TRP 44 H TRP 44 -1.423 4.497 -8.674 439 HA TRP 44 HA TRP 44 -0.031 2.721 -6.715 440 1HB TRP 44 2HB TRP 44 -2.738 3.986 -7.027 441 2HB TRP 44 1HB TRP 44 -2.574 2.543 -6.015 442 HD1 TRP 44 HD TRP 44 -1.518 6.199 -6.205 443 HE1 TRP 44 1HE TRP 44 -0.449 6.856 -3.949 444 HE3 TRP 44 3HE TRP 44 -1.338 1.622 -3.995 445 HZ2 TRP 44 2HZ TRP 44 0.379 5.579 -1.517 446 HZ3 TRP 44 3HZ TRP 44 -0.399 1.359 -1.708 447 HH2 TRP 44 HH TRP 44 0.462 3.331 -0.475 448 QB TRP 44 QB TRP 44 -2.656 3.264 -6.521 449 H THR 45 H THR 45 0.162 0.610 -7.151 450 HA THR 45 HA THR 45 -1.887 -0.727 -8.872 451 HB THR 45 HB THR 45 -0.192 -1.695 -10.244 452 HG1 THR 45 1HG THR 45 1.983 -1.586 -9.696 453 1HG2 THR 45 2HG2 THR 45 -0.575 0.713 -10.708 454 2HG2 THR 45 1HG2 THR 45 0.769 1.108 -9.633 455 3HG2 THR 45 3HG2 THR 45 1.065 0.209 -11.123 456 QG2 THR 45 QG2 THR 45 0.420 0.677 -10.488 457 H TYR 46 H TYR 46 -2.476 -2.685 -8.044 458 HA TYR 46 HA TYR 46 -1.071 -3.635 -5.595 459 1HB TYR 46 2HB TYR 46 -3.439 -3.273 -5.375 460 2HB TYR 46 1HB TYR 46 -3.777 -4.161 -6.863 461 HD1 TYR 46 1HD TYR 46 -1.734 -4.832 -3.783 462 HD2 TYR 46 2HD TYR 46 -4.789 -6.223 -6.460 463 HE1 TYR 46 1HE TYR 46 -1.895 -6.944 -2.500 464 HE2 TYR 46 2HE TYR 46 -4.950 -8.339 -5.176 465 HH TYR 46 HH TYR 46 -2.923 -9.590 -3.439 466 QB TYR 46 QB TYR 46 -3.608 -3.717 -6.119 467 QG TYR 46 QD TYR 46 -3.262 -5.528 -5.122 468 QZ TYR 46 QE TYR 46 -3.422 -7.642 -3.838 469 QR TYR 46 QR TYR 46 -3.342 -6.585 -4.480 470 H ASP 47 H ASP 47 -0.287 -5.791 -5.471 471 HA ASP 47 HA ASP 47 -0.038 -7.233 -8.092 472 1HB ASP 47 2HB ASP 47 1.795 -7.011 -5.682 473 2HB ASP 47 1HB ASP 47 2.095 -8.090 -7.044 474 QB ASP 47 QB ASP 47 1.945 -7.550 -6.363 475 H ASP 48 H ASP 48 -1.732 -8.717 -7.896 476 HA ASP 48 HA ASP 48 -2.458 -10.044 -5.434 477 1HB ASP 48 2HB ASP 48 -3.857 -11.402 -6.981 478 2HB ASP 48 1HB ASP 48 -3.994 -9.676 -7.309 479 QB ASP 48 QB ASP 48 -3.925 -10.539 -7.145 480 H ALA 49 H ALA 49 0.256 -10.512 -7.391 481 HA ALA 49 HA ALA 49 0.427 -13.436 -7.027 482 1HB ALA 49 1HB ALA 49 1.193 -11.825 -9.012 483 2HB ALA 49 3HB ALA 49 2.653 -11.698 -8.032 484 3HB ALA 49 2HB ALA 49 2.118 -13.274 -8.618 485 QB ALA 49 QB ALA 49 1.988 -12.266 -8.554 486 H THR 50 H THR 50 1.665 -10.448 -5.638 487 HA THR 50 HA THR 50 3.161 -12.071 -3.608 488 HB THR 50 HB THR 50 4.828 -10.223 -3.638 489 HG1 THR 50 1HG THR 50 4.332 -8.447 -4.605 490 1HG2 THR 50 3HG2 THR 50 4.695 -12.275 -5.330 491 2HG2 THR 50 2HG2 THR 50 4.513 -10.977 -6.508 492 3HG2 THR 50 1HG2 THR 50 5.946 -11.042 -5.481 493 QG2 THR 50 QG2 THR 50 5.051 -11.431 -5.773 494 H LYS 51 H LYS 51 0.463 -10.268 -4.000 495 HA LYS 51 HA LYS 51 -0.863 -8.935 -2.571 496 1HB LYS 51 2HB LYS 51 1.019 -10.199 -0.545 497 2HB LYS 51 1HB LYS 51 -0.540 -9.466 -0.170 498 1HG LYS 51 2HG LYS 51 -0.686 -11.481 -2.310 499 2HG LYS 51 1HG LYS 51 -0.142 -12.136 -0.767 500 1HD LYS 51 2HD LYS 51 -2.179 -10.602 0.111 501 2HD LYS 51 1HD LYS 51 -2.779 -10.975 -1.505 502 1HE LYS 51 2HE LYS 51 -1.651 -13.237 0.100 503 2HE LYS 51 1HE LYS 51 -3.258 -12.626 0.538 504 1HZ LYS 51 1HZ LYS 51 -2.463 -13.232 -2.254 505 2HZ LYS 51 3HZ LYS 51 -3.239 -14.362 -1.258 506 3HZ LYS 51 2HZ LYS 51 -4.024 -12.912 -1.666 507 QB LYS 51 QB LYS 51 0.239 -9.833 -0.358 508 QG LYS 51 QG LYS 51 -0.414 -11.809 -1.539 509 QD LYS 51 QD LYS 51 -2.479 -10.789 -0.697 510 QE LYS 51 QE LYS 51 -2.455 -12.932 0.319 511 QZ LYS 51 QZ LYS 51 -3.242 -13.502 -1.726 512 H THR 52 H THR 52 1.364 -7.599 -3.807 513 HA THR 52 HA THR 52 2.105 -5.640 -1.643 514 HB THR 52 HB THR 52 3.699 -6.477 -4.085 515 HG1 THR 52 1HG THR 52 4.885 -7.691 -2.646 516 1HG2 THR 52 3HG2 THR 52 4.063 -4.498 -1.891 517 2HG2 THR 52 2HG2 THR 52 5.485 -5.412 -2.389 518 3HG2 THR 52 1HG2 THR 52 4.610 -4.434 -3.567 519 QG2 THR 52 QG2 THR 52 4.719 -4.781 -2.616 520 H PHE 53 H PHE 53 1.904 -3.449 -2.170 521 HA PHE 53 HA PHE 53 0.512 -2.827 -4.728 522 1HB PHE 53 2HB PHE 53 0.841 -1.414 -2.070 523 2HB PHE 53 1HB PHE 53 0.027 -0.676 -3.450 524 HD1 PHE 53 1HD PHE 53 -0.052 -3.590 -1.123 525 HD2 PHE 53 2HD PHE 53 -2.215 -1.273 -4.032 526 HE1 PHE 53 1HE PHE 53 -2.144 -4.804 -0.544 527 HE2 PHE 53 2HE PHE 53 -4.294 -2.484 -3.444 528 1HZ PHE 53 HZ PHE 53 -4.259 -4.247 -1.704 529 QB PHE 53 QB PHE 53 0.434 -1.045 -2.760 530 QG PHE 53 QD PHE 53 -1.133 -2.432 -2.578 531 QZ PHE 53 QE PHE 53 -3.219 -3.644 -1.994 532 QZ PHE 53 QR PHE 53 -2.593 -3.280 -2.170 533 H THR 54 H THR 54 1.227 -0.213 -5.279 534 HA THR 54 HA THR 54 4.125 0.167 -4.958 535 HB THR 54 HB THR 54 2.914 -0.382 -7.688 536 HG1 THR 54 1HG THR 54 3.034 -2.343 -6.850 537 1HG2 THR 54 3HG2 THR 54 5.117 1.084 -7.118 538 2HG2 THR 54 2HG2 THR 54 5.830 -0.528 -7.179 539 3HG2 THR 54 1HG2 THR 54 4.959 0.104 -8.577 540 QG2 THR 54 QG2 THR 54 5.302 0.220 -7.625 541 H VAL 55 H VAL 55 4.278 2.333 -4.734 542 HA VAL 55 HA VAL 55 2.341 4.070 -6.229 543 HB VAL 55 HB VAL 55 1.806 4.228 -3.928 544 1HG1 VAL 55 1HG1 VAL 55 4.772 4.341 -3.334 545 2HG1 VAL 55 3HG1 VAL 55 3.488 4.544 -2.134 546 3HG1 VAL 55 2HG1 VAL 55 3.659 3.004 -2.991 547 1HG2 VAL 55 1HG2 VAL 55 2.134 6.468 -4.946 548 2HG2 VAL 55 3HG2 VAL 55 2.452 6.473 -3.202 549 3HG2 VAL 55 2HG2 VAL 55 3.796 6.472 -4.356 550 QG1 VAL 55 QG1 VAL 55 3.973 3.963 -2.820 551 QG2 VAL 55 QG2 VAL 55 2.794 6.471 -4.168 552 QQG VAL 55 QQG VAL 55 3.384 5.217 -3.494 553 H THR 56 H THR 56 3.644 4.387 -8.015 554 HA THR 56 HA THR 56 6.454 5.195 -7.743 555 HB THR 56 HB THR 56 4.621 4.049 -9.691 556 HG1 THR 56 1HG THR 56 6.320 2.889 -9.719 557 1HG2 THR 56 1HG2 THR 56 6.304 6.351 -10.689 558 2HG2 THR 56 3HG2 THR 56 5.782 5.026 -11.733 559 3HG2 THR 56 2HG2 THR 56 4.579 6.061 -10.954 560 QG2 THR 56 QG2 THR 56 5.555 5.813 -11.125 561 H GLU 57 H GLU 57 6.326 7.224 -6.644 562 HA GLU 57 HA GLU 57 4.622 9.417 -7.410 563 1HB GLU 57 2HB GLU 57 5.873 9.062 -5.241 564 2HB GLU 57 1HB GLU 57 7.359 9.483 -6.092 565 1HG GLU 57 2HG GLU 57 5.013 11.341 -6.277 566 2HG GLU 57 1HG GLU 57 5.992 11.346 -4.809 567 QB GLU 57 QB GLU 57 6.616 9.272 -5.667 568 QG GLU 57 QG GLU 57 5.503 11.343 -5.543 No H/Q in entry = 568 Start of MODEL 36 1 1H MET 1 1HT MET 1 -0.573 -16.092 4.007 2 2H MET 1 3HT MET 1 -0.334 -16.840 5.511 3 3H MET 1 2HT MET 1 -1.906 -16.464 4.991 4 HA MET 1 HA MET 1 -1.352 -14.807 6.571 5 1HB MET 1 2HB MET 1 0.836 -13.622 6.335 6 2HB MET 1 1HB MET 1 1.038 -15.354 6.590 7 1HG MET 1 2HG MET 1 0.834 -14.434 3.762 8 2HG MET 1 1HG MET 1 2.316 -14.027 4.623 9 1HE MET 1 1HE MET 1 3.978 -15.322 5.332 10 2HE MET 1 3HE MET 1 3.174 -16.391 6.490 11 3HE MET 1 2HE MET 1 4.201 -17.066 5.227 12 QB MET 1 QB MET 1 0.937 -14.488 6.463 13 QG MET 1 QG MET 1 1.575 -14.230 4.193 14 QE MET 1 QE MET 1 3.784 -16.260 5.683 15 H THR 2 H THR 2 -1.874 -12.570 6.235 16 HA THR 2 HA THR 2 -2.416 -11.843 3.374 17 HB THR 2 HB THR 2 -3.820 -10.993 5.927 18 HG1 THR 2 1HG THR 2 -4.369 -13.058 5.671 19 1HG2 THR 2 2HG2 THR 2 -4.101 -10.310 3.046 20 2HG2 THR 2 1HG2 THR 2 -5.596 -10.575 3.945 21 3HG2 THR 2 3HG2 THR 2 -4.456 -9.337 4.473 22 QG2 THR 2 QG2 THR 2 -4.718 -10.074 3.821 23 H THR 3 H THR 3 0.038 -11.287 5.128 24 HA THR 3 HA THR 3 0.023 -8.481 5.833 25 HB THR 3 HB THR 3 2.337 -10.308 5.114 26 HG1 THR 3 1HG THR 3 2.264 -10.962 7.212 27 1HG2 THR 3 1HG2 THR 3 2.425 -7.640 5.600 28 2HG2 THR 3 3HG2 THR 3 2.530 -8.259 7.248 29 3HG2 THR 3 2HG2 THR 3 3.723 -8.749 6.044 30 QG2 THR 3 QG2 THR 3 2.893 -8.216 6.297 31 H PHE 4 H PHE 4 -0.517 -7.084 4.159 32 HA PHE 4 HA PHE 4 0.512 -7.468 1.436 33 1HB PHE 4 2HB PHE 4 -1.132 -5.356 2.859 34 2HB PHE 4 1HB PHE 4 -0.738 -5.267 1.141 35 HD1 PHE 4 1HD PHE 4 -1.247 -7.440 -0.257 36 HD2 PHE 4 2HD PHE 4 -3.063 -6.501 3.521 37 HE1 PHE 4 1HE PHE 4 -3.108 -8.999 -0.766 38 HE2 PHE 4 2HE PHE 4 -4.924 -8.058 3.011 39 1HZ PHE 4 HZ PHE 4 -4.946 -9.308 0.869 40 QB PHE 4 QB PHE 4 -0.935 -5.312 2.000 41 QG PHE 4 QD PHE 4 -2.155 -6.970 1.632 42 QZ PHE 4 QE PHE 4 -4.016 -8.528 1.123 43 QZ PHE 4 QR PHE 4 -3.457 -8.061 1.276 44 H LYS 5 H LYS 5 2.018 -6.077 0.405 45 HA LYS 5 HA LYS 5 3.678 -4.386 2.250 46 1HB LYS 5 2HB LYS 5 4.411 -6.063 -0.175 47 2HB LYS 5 1HB LYS 5 5.546 -5.054 0.722 48 1HG LYS 5 2HG LYS 5 5.646 -6.500 2.490 49 2HG LYS 5 1HG LYS 5 3.942 -6.938 2.358 50 1HD LYS 5 2HD LYS 5 4.678 -8.124 0.147 51 2HD LYS 5 1HD LYS 5 6.297 -8.041 0.844 52 1HE LYS 5 2HE LYS 5 4.954 -8.991 2.992 53 2HE LYS 5 1HE LYS 5 3.964 -9.682 1.690 54 1HZ LYS 5 1HZ LYS 5 6.031 -10.426 0.616 55 2HZ LYS 5 3HZ LYS 5 6.918 -9.872 1.951 56 3HZ LYS 5 2HZ LYS 5 5.808 -11.145 2.138 57 QB LYS 5 QB LYS 5 4.979 -5.558 0.274 58 QG LYS 5 QG LYS 5 4.794 -6.719 2.424 59 QD LYS 5 QD LYS 5 5.488 -8.083 0.495 60 QE LYS 5 QE LYS 5 4.459 -9.336 2.341 61 QZ LYS 5 QZ LYS 5 6.252 -10.481 1.568 62 H LEU 6 H LEU 6 5.056 -2.803 0.720 63 HA LEU 6 HA LEU 6 3.529 -1.829 -1.616 64 1HB LEU 6 2HB LEU 6 2.365 -0.880 0.325 65 2HB LEU 6 1HB LEU 6 3.886 -0.254 0.957 66 HG LEU 6 HG LEU 6 4.112 1.066 -1.203 67 1HD1 LEU 6 2HD1 LEU 6 2.441 -0.366 -2.440 68 2HD1 LEU 6 1HD1 LEU 6 1.171 0.397 -1.482 69 3HD1 LEU 6 3HD1 LEU 6 2.152 1.369 -2.578 70 1HD2 LEU 6 1HD2 LEU 6 2.984 1.754 1.129 71 2HD2 LEU 6 3HD2 LEU 6 3.014 2.858 -0.246 72 3HD2 LEU 6 2HD2 LEU 6 1.561 1.918 0.099 73 QB LEU 6 QB LEU 6 3.125 -0.567 0.641 74 QD1 LEU 6 QD1 LEU 6 1.921 0.467 -2.167 75 QD2 LEU 6 QD2 LEU 6 2.520 2.177 0.327 76 QQD LEU 6 QQD LEU 6 2.221 1.322 -0.920 77 H ILE 7 H ILE 7 5.203 -1.613 -3.031 78 HA ILE 7 HA ILE 7 7.909 -0.864 -2.163 79 HB ILE 7 HB ILE 7 6.608 -1.358 -4.869 80 1HG1 ILE 7 2HG1 ILE 7 8.407 -3.155 -3.216 81 2HG1 ILE 7 1HG1 ILE 7 6.648 -3.283 -3.242 82 1HG2 ILE 7 1HG2 ILE 7 9.497 -0.990 -4.043 83 2HG2 ILE 7 3HG2 ILE 7 9.025 -1.742 -5.567 84 3HG2 ILE 7 2HG2 ILE 7 8.591 -0.064 -5.240 85 1HD1 ILE 7 2HD1 ILE 7 8.314 -3.379 -5.764 86 2HD1 ILE 7 1HD1 ILE 7 7.902 -4.827 -4.847 87 3HD1 ILE 7 3HD1 ILE 7 6.625 -3.845 -5.562 88 QG1 ILE 7 QG1 ILE 7 7.527 -3.219 -3.229 89 QG2 ILE 7 QG2 ILE 7 9.038 -0.932 -4.950 90 QD1 ILE 7 QD1 ILE 7 7.613 -4.017 -5.391 91 H ILE 8 H ILE 8 8.315 1.302 -1.801 92 HA ILE 8 HA ILE 8 6.631 3.299 -3.188 93 HB ILE 8 HB ILE 8 8.820 3.949 -1.228 94 1HG1 ILE 8 2HG1 ILE 8 7.317 2.059 -0.306 95 2HG1 ILE 8 1HG1 ILE 8 7.447 3.508 0.671 96 1HG2 ILE 8 1HG2 ILE 8 6.336 5.201 -2.313 97 2HG2 ILE 8 3HG2 ILE 8 6.795 5.601 -0.655 98 3HG2 ILE 8 2HG2 ILE 8 7.916 5.925 -1.978 99 1HD1 ILE 8 3HD1 ILE 8 5.244 3.532 -1.293 100 2HD1 ILE 8 2HD1 ILE 8 5.088 2.331 -0.013 101 3HD1 ILE 8 1HD1 ILE 8 5.256 4.040 0.396 102 QG1 ILE 8 QG1 ILE 8 7.382 2.784 0.182 103 QG2 ILE 8 QG2 ILE 8 7.016 5.576 -1.649 104 QD1 ILE 8 QD1 ILE 8 5.196 3.301 -0.303 105 H ASN 9 H ASN 9 7.390 4.159 -5.090 106 HA ASN 9 HA ASN 9 10.362 4.271 -5.502 107 1HB ASN 9 2HB ASN 9 9.264 2.679 -6.973 108 2HB ASN 9 1HB ASN 9 8.042 3.862 -7.414 109 1HD2 ASN 9 1HD2 ASN 9 8.477 5.108 -9.270 110 2HD2 ASN 9 2HD2 ASN 9 10.004 5.230 -10.005 111 QB ASN 9 QB ASN 9 8.653 3.271 -7.194 112 QD2 ASN 9 QD2 ASN 9 9.241 5.169 -9.637 113 H GLY 10 H GLY 10 10.022 6.418 -4.296 114 1HA GLY 10 2HA GLY 10 9.485 8.552 -6.300 115 2HA GLY 10 1HA GLY 10 8.695 8.652 -4.725 116 QA GLY 10 QA GLY 10 9.090 8.602 -5.513 117 H LYS 11 H LYS 11 9.824 9.575 -3.064 118 HA LYS 11 HA LYS 11 12.787 9.683 -3.169 119 1HB LYS 11 2HB LYS 11 12.734 12.160 -2.967 120 2HB LYS 11 1HB LYS 11 12.003 11.612 -4.474 121 1HG LYS 11 2HG LYS 11 9.754 11.743 -3.345 122 2HG LYS 11 1HG LYS 11 10.555 12.481 -1.957 123 1HD LYS 11 2HD LYS 11 11.540 14.011 -4.002 124 2HD LYS 11 1HD LYS 11 9.924 13.638 -4.604 125 1HE LYS 11 2HE LYS 11 9.394 15.493 -3.323 126 2HE LYS 11 1HE LYS 11 9.305 14.268 -2.042 127 1HZ LYS 11 3HZ LYS 11 11.679 14.623 -1.622 128 2HZ LYS 11 2HZ LYS 11 11.705 15.857 -2.789 129 3HZ LYS 11 1HZ LYS 11 10.787 16.044 -1.373 130 QB LYS 11 QB LYS 11 12.369 11.886 -3.720 131 QG LYS 11 QG LYS 11 10.154 12.112 -2.651 132 QD LYS 11 QD LYS 11 10.732 13.825 -4.303 133 QE LYS 11 QE LYS 11 9.349 14.881 -2.682 134 QZ LYS 11 QZ LYS 11 11.390 15.508 -1.928 135 H THR 12 H THR 12 9.818 10.625 -1.406 136 HA THR 12 HA THR 12 11.139 11.031 1.141 137 HB THR 12 HB THR 12 8.247 10.277 0.677 138 HG1 THR 12 1HG THR 12 9.505 12.782 0.256 139 1HG2 THR 12 2HG2 THR 12 9.810 11.369 2.864 140 2HG2 THR 12 1HG2 THR 12 8.524 12.481 2.400 141 3HG2 THR 12 3HG2 THR 12 8.132 10.825 2.857 142 QG2 THR 12 QG2 THR 12 8.822 11.558 2.707 143 H LEU 13 H LEU 13 9.765 8.246 -0.516 144 HA LEU 13 HA LEU 13 10.563 6.524 1.809 145 1HB LEU 13 2HB LEU 13 8.046 6.835 0.294 146 2HB LEU 13 1HB LEU 13 8.548 5.163 0.530 147 HG LEU 13 HG LEU 13 8.387 7.186 2.777 148 1HD1 LEU 13 3HD1 LEU 13 6.353 5.268 1.644 149 2HD1 LEU 13 2HD1 LEU 13 6.328 5.697 3.358 150 3HD1 LEU 13 1HD1 LEU 13 6.139 6.950 2.133 151 1HD2 LEU 13 2HD2 LEU 13 8.635 4.161 2.691 152 2HD2 LEU 13 1HD2 LEU 13 9.882 5.295 3.209 153 3HD2 LEU 13 3HD2 LEU 13 8.412 5.106 4.163 154 QB LEU 13 QB LEU 13 8.297 5.999 0.412 155 QD1 LEU 13 QD1 LEU 13 6.273 5.972 2.378 156 QD2 LEU 13 QD2 LEU 13 8.976 4.854 3.355 157 QQD LEU 13 QQD LEU 13 7.625 5.413 2.867 158 H LYS 14 H LYS 14 10.863 4.172 1.027 159 HA LYS 14 HA LYS 14 11.368 3.581 -1.726 160 1HB LYS 14 2HB LYS 14 13.867 3.568 -1.580 161 2HB LYS 14 1HB LYS 14 13.191 5.187 -1.401 162 1HG LYS 14 2HG LYS 14 13.277 4.026 1.205 163 2HG LYS 14 1HG LYS 14 14.839 3.718 0.449 164 1HD LYS 14 2HD LYS 14 13.502 6.438 0.555 165 2HD LYS 14 1HD LYS 14 14.755 5.901 1.674 166 1HE LYS 14 2HE LYS 14 16.399 5.790 -0.049 167 2HE LYS 14 1HE LYS 14 15.172 5.881 -1.329 168 1HZ LYS 14 2HZ LYS 14 14.542 8.073 -0.514 169 2HZ LYS 14 1HZ LYS 14 15.747 7.996 0.681 170 3HZ LYS 14 3HZ LYS 14 16.182 8.048 -0.957 171 QB LYS 14 QB LYS 14 13.529 4.378 -1.490 172 QG LYS 14 QG LYS 14 14.058 3.872 0.827 173 QD LYS 14 QD LYS 14 14.129 6.170 1.114 174 QE LYS 14 QE LYS 14 15.786 5.835 -0.689 175 QZ LYS 14 QZ LYS 14 15.491 8.039 -0.263 176 H GLY 15 H GLY 15 10.048 1.817 -0.592 177 1HA GLY 15 2HA GLY 15 11.308 -0.604 -0.392 178 2HA GLY 15 1HA GLY 15 11.517 0.052 1.233 179 QA GLY 15 QA GLY 15 11.412 -0.276 0.421 180 H GLU 16 H GLU 16 10.162 -1.963 1.685 181 HA GLU 16 HA GLU 16 7.237 -1.328 1.427 182 1HB GLU 16 2HB GLU 16 8.778 -3.938 1.441 183 2HB GLU 16 1HB GLU 16 7.019 -3.854 1.549 184 1HG GLU 16 2HG GLU 16 6.777 -3.175 -0.636 185 2HG GLU 16 1HG GLU 16 8.318 -2.317 -0.650 186 QB GLU 16 QB GLU 16 7.898 -3.896 1.495 187 QG GLU 16 QG GLU 16 7.548 -2.746 -0.643 188 H ILE 17 H ILE 17 6.101 -1.250 3.342 189 HA ILE 17 HA ILE 17 7.608 -1.648 5.866 190 HB ILE 17 HB ILE 17 6.376 0.443 5.430 191 1HG1 ILE 17 2HG1 ILE 17 4.879 -1.105 7.552 192 2HG1 ILE 17 1HG1 ILE 17 6.559 -0.614 7.762 193 1HG2 ILE 17 1HG2 ILE 17 4.065 -1.466 5.085 194 2HG2 ILE 17 3HG2 ILE 17 3.794 0.212 5.557 195 3HG2 ILE 17 2HG2 ILE 17 4.582 -0.157 4.024 196 1HD1 ILE 17 3HD1 ILE 17 4.385 1.347 7.007 197 2HD1 ILE 17 2HD1 ILE 17 4.802 0.999 8.685 198 3HD1 ILE 17 1HD1 ILE 17 6.006 1.702 7.605 199 QG1 ILE 17 QG1 ILE 17 5.719 -0.859 7.657 200 QG2 ILE 17 QG2 ILE 17 4.147 -0.470 4.889 201 QD1 ILE 17 QD1 ILE 17 5.064 1.349 7.766 202 H THR 18 H THR 18 5.273 -3.307 3.938 203 HA THR 18 HA THR 18 3.997 -5.243 4.277 204 HB THR 18 HB THR 18 5.099 -6.950 5.509 205 HG1 THR 18 1HG THR 18 6.479 -6.517 7.198 206 1HG2 THR 18 3HG2 THR 18 6.563 -5.296 3.800 207 2HG2 THR 18 2HG2 THR 18 7.624 -5.539 5.187 208 3HG2 THR 18 1HG2 THR 18 6.998 -6.930 4.302 209 QG2 THR 18 QG2 THR 18 7.062 -5.922 4.430 210 H ILE 19 H ILE 19 1.967 -4.885 5.028 211 HA ILE 19 HA ILE 19 1.592 -4.640 7.985 212 HB ILE 19 HB ILE 19 -0.082 -2.866 7.562 213 1HG1 ILE 19 2HG1 ILE 19 0.337 -1.919 5.033 214 2HG1 ILE 19 1HG1 ILE 19 0.462 -3.655 4.753 215 1HG2 ILE 19 2HG2 ILE 19 2.595 -2.569 7.628 216 2HG2 ILE 19 1HG2 ILE 19 2.275 -1.880 6.036 217 3HG2 ILE 19 3HG2 ILE 19 1.493 -1.202 7.464 218 1HD1 ILE 19 3HD1 ILE 19 -1.719 -3.730 6.252 219 2HD1 ILE 19 2HD1 ILE 19 -1.882 -2.056 5.720 220 3HD1 ILE 19 1HD1 ILE 19 -1.831 -3.359 4.531 221 QG1 ILE 19 QG1 ILE 19 0.400 -2.787 4.893 222 QG2 ILE 19 QG2 ILE 19 2.121 -1.884 7.042 223 QD1 ILE 19 QD1 ILE 19 -1.811 -3.048 5.501 224 H GLU 20 H GLU 20 -0.113 -5.863 8.751 225 HA GLU 20 HA GLU 20 -1.469 -7.684 6.877 226 1HB GLU 20 2HB GLU 20 -0.460 -8.171 9.204 227 2HB GLU 20 1HB GLU 20 -1.901 -7.386 9.853 228 1HG GLU 20 2HG GLU 20 -3.330 -9.044 9.054 229 2HG GLU 20 1HG GLU 20 -2.209 -9.539 7.785 230 QB GLU 20 QB GLU 20 -1.181 -7.778 9.529 231 QG GLU 20 QG GLU 20 -2.770 -9.292 8.420 232 H ALA 21 H ALA 21 -3.820 -7.857 6.777 233 HA ALA 21 HA ALA 21 -5.525 -5.818 7.996 234 1HB ALA 21 2HB ALA 21 -4.788 -5.726 5.052 235 2HB ALA 21 1HB ALA 21 -6.093 -4.783 5.775 236 3HB ALA 21 3HB ALA 21 -4.422 -4.501 6.266 237 QB ALA 21 QB ALA 21 -5.101 -5.003 5.698 238 H VAL 22 H VAL 22 -7.820 -6.045 7.101 239 HA VAL 22 HA VAL 22 -8.743 -8.701 7.155 240 HB VAL 22 HB VAL 22 -10.081 -6.667 7.580 241 1HG1 VAL 22 2HG1 VAL 22 -8.979 -5.450 5.577 242 2HG1 VAL 22 1HG1 VAL 22 -10.208 -6.245 4.595 243 3HG1 VAL 22 3HG1 VAL 22 -10.689 -5.140 5.881 244 1HG2 VAL 22 3HG2 VAL 22 -10.957 -8.696 5.560 245 2HG2 VAL 22 2HG2 VAL 22 -11.560 -8.405 7.190 246 3HG2 VAL 22 1HG2 VAL 22 -12.019 -7.324 5.875 247 QG1 VAL 22 QG1 VAL 22 -9.959 -5.612 5.351 248 QG2 VAL 22 QG2 VAL 22 -11.512 -8.142 6.208 249 QQG VAL 22 QQG VAL 22 -10.736 -6.877 5.780 250 H ASP 23 H ASP 23 -7.915 -6.653 4.385 251 HA ASP 23 HA ASP 23 -7.487 -9.001 2.674 252 1HB ASP 23 2HB ASP 23 -9.932 -7.304 2.617 253 2HB ASP 23 1HB ASP 23 -9.228 -7.701 1.049 254 QB ASP 23 QB ASP 23 -9.580 -7.503 1.833 255 H ALA 24 H ALA 24 -6.932 -8.102 0.346 256 HA ALA 24 HA ALA 24 -4.807 -6.198 0.597 257 1HB ALA 24 1HB ALA 24 -5.365 -8.059 -1.173 258 2HB ALA 24 3HB ALA 24 -6.247 -6.766 -1.988 259 3HB ALA 24 2HB ALA 24 -4.513 -6.606 -1.696 260 QB ALA 24 QB ALA 24 -5.375 -7.144 -1.619 261 H ALA 25 H ALA 25 -8.218 -5.875 -0.276 262 HA ALA 25 HA ALA 25 -8.252 -3.287 -1.397 263 1HB ALA 25 1HB ALA 25 -10.108 -5.102 0.042 264 2HB ALA 25 3HB ALA 25 -10.584 -3.405 -0.004 265 3HB ALA 25 2HB ALA 25 -10.317 -4.287 -1.507 266 QB ALA 25 QB ALA 25 -10.336 -4.265 -0.490 267 H GLU 26 H GLU 26 -8.666 -4.239 2.020 268 HA GLU 26 HA GLU 26 -8.739 -1.578 3.103 269 1HB GLU 26 2HB GLU 26 -9.455 -3.738 4.196 270 2HB GLU 26 1HB GLU 26 -7.753 -4.163 4.366 271 1HG GLU 26 2HG GLU 26 -8.020 -3.142 6.404 272 2HG GLU 26 1HG GLU 26 -7.696 -1.692 5.452 273 QB GLU 26 QB GLU 26 -8.604 -3.951 4.281 274 QG GLU 26 QG GLU 26 -7.858 -2.417 5.928 275 H ALA 27 H ALA 27 -6.088 -3.876 2.496 276 HA ALA 27 HA ALA 27 -3.943 -2.454 3.713 277 1HB ALA 27 1HB ALA 27 -4.364 -4.559 1.690 278 2HB ALA 27 3HB ALA 27 -2.860 -3.663 1.477 279 3HB ALA 27 2HB ALA 27 -3.189 -4.489 3.002 280 QB ALA 27 QB ALA 27 -3.471 -4.237 2.056 281 H GLU 28 H GLU 28 -5.322 -2.222 0.422 282 HA GLU 28 HA GLU 28 -3.499 -0.297 -0.642 283 1HB GLU 28 2HB GLU 28 -5.379 -1.723 -1.740 284 2HB GLU 28 1HB GLU 28 -6.454 -0.407 -1.265 285 1HG GLU 28 2HG GLU 28 -4.701 1.140 -2.409 286 2HG GLU 28 1HG GLU 28 -4.134 -0.335 -3.195 287 QB GLU 28 QB GLU 28 -5.917 -1.065 -1.503 288 QG GLU 28 QG GLU 28 -4.417 0.402 -2.802 289 H LYS 29 H LYS 29 -6.379 0.023 1.398 290 HA LYS 29 HA LYS 29 -6.559 2.920 1.255 291 1HB LYS 29 2HB LYS 29 -7.465 0.945 3.386 292 2HB LYS 29 1HB LYS 29 -8.057 2.594 3.196 293 1HG LYS 29 2HG LYS 29 -8.291 0.465 1.053 294 2HG LYS 29 1HG LYS 29 -9.572 0.848 2.201 295 1HD LYS 29 2HD LYS 29 -8.305 2.848 0.307 296 2HD LYS 29 1HD LYS 29 -9.844 2.036 0.025 297 1HE LYS 29 2HE LYS 29 -10.656 2.991 2.230 298 2HE LYS 29 1HE LYS 29 -9.177 3.972 2.265 299 1HZ LYS 29 3HZ LYS 29 -9.742 4.741 0.004 300 2HZ LYS 29 2HZ LYS 29 -11.224 3.917 0.111 301 3HZ LYS 29 1HZ LYS 29 -10.891 5.213 1.159 302 QB LYS 29 QB LYS 29 -7.761 1.770 3.291 303 QG LYS 29 QG LYS 29 -8.931 0.656 1.627 304 QD LYS 29 QD LYS 29 -9.074 2.442 0.166 305 QE LYS 29 QE LYS 29 -9.917 3.481 2.248 306 QZ LYS 29 QZ LYS 29 -10.619 4.623 0.424 307 H ILE 30 H ILE 30 -5.234 0.631 3.653 308 HA ILE 30 HA ILE 30 -4.100 2.545 5.451 309 HB ILE 30 HB ILE 30 -3.276 -0.293 4.709 310 1HG1 ILE 30 2HG1 ILE 30 -5.016 0.726 6.979 311 2HG1 ILE 30 1HG1 ILE 30 -5.641 0.017 5.490 312 1HG2 ILE 30 1HG2 ILE 30 -1.559 1.099 5.990 313 2HG2 ILE 30 3HG2 ILE 30 -2.736 1.184 7.301 314 3HG2 ILE 30 2HG2 ILE 30 -2.089 -0.377 6.796 315 1HD1 ILE 30 3HD1 ILE 30 -3.774 -1.856 6.291 316 2HD1 ILE 30 2HD1 ILE 30 -4.443 -1.302 7.827 317 3HD1 ILE 30 1HD1 ILE 30 -5.510 -1.962 6.588 318 QG1 ILE 30 QG1 ILE 30 -5.329 0.371 6.235 319 QG2 ILE 30 QG2 ILE 30 -2.128 0.635 6.696 320 QD1 ILE 30 QD1 ILE 30 -4.576 -1.707 6.902 321 H PHE 31 H PHE 31 -2.907 1.046 2.483 322 HA PHE 31 HA PHE 31 -0.218 2.176 2.676 323 1HB PHE 31 2HB PHE 31 -1.882 0.654 0.684 324 2HB PHE 31 1HB PHE 31 -0.375 1.399 0.150 325 HD1 PHE 31 2HD PHE 31 1.488 1.107 2.278 326 HD2 PHE 31 1HD PHE 31 -1.596 -1.620 1.058 327 HE1 PHE 31 2HE PHE 31 2.767 -0.776 3.259 328 HE2 PHE 31 1HE PHE 31 -0.316 -3.505 2.040 329 1HZ PHE 31 HZ PHE 31 1.866 -3.081 3.140 330 QB PHE 31 QB PHE 31 -1.129 1.026 0.417 331 QG PHE 31 QD PHE 31 -0.054 -0.256 1.668 332 QZ PHE 31 QE PHE 31 1.226 -2.140 2.650 333 QZ PHE 31 QR PHE 31 0.842 -1.575 2.355 334 H LYS 32 H LYS 32 -3.213 2.953 0.911 335 HA LYS 32 HA LYS 32 -2.112 5.184 -0.534 336 1HB LYS 32 2HB LYS 32 -4.873 4.158 0.093 337 2HB LYS 32 1HB LYS 32 -4.633 5.632 -0.843 338 1HG LYS 32 2HG LYS 32 -3.003 3.301 -1.696 339 2HG LYS 32 1HG LYS 32 -4.741 3.160 -1.966 340 1HD LYS 32 2HD LYS 32 -3.055 5.519 -2.854 341 2HD LYS 32 1HD LYS 32 -3.553 4.191 -3.903 342 1HE LYS 32 2HE LYS 32 -5.963 4.892 -2.837 343 2HE LYS 32 1HE LYS 32 -5.147 6.467 -2.879 344 1HZ LYS 32 2HZ LYS 32 -4.504 6.033 -5.171 345 2HZ LYS 32 1HZ LYS 32 -5.319 4.542 -5.137 346 3HZ LYS 32 3HZ LYS 32 -6.195 5.988 -5.008 347 QB LYS 32 QB LYS 32 -4.753 4.895 -0.375 348 QG LYS 32 QG LYS 32 -3.872 3.230 -1.831 349 QD LYS 32 QD LYS 32 -3.304 4.855 -3.379 350 QE LYS 32 QE LYS 32 -5.555 5.679 -2.858 351 QZ LYS 32 QZ LYS 32 -5.339 5.521 -5.105 352 H GLN 33 H GLN 33 -2.730 4.870 2.762 353 HA GLN 33 HA GLN 33 -3.407 7.785 3.084 354 1HB GLN 33 2HB GLN 33 -3.672 5.284 4.763 355 2HB GLN 33 1HB GLN 33 -3.668 6.872 5.531 356 1HG GLN 33 2HG GLN 33 -5.459 6.504 3.177 357 2HG GLN 33 1HG GLN 33 -5.936 5.724 4.686 358 1HE2 GLN 33 2HE2 GLN 33 -5.996 9.808 4.415 359 2HE2 GLN 33 1HE2 GLN 33 -5.247 8.889 3.200 360 QB GLN 33 QB GLN 33 -3.670 6.078 5.147 361 QG GLN 33 QG GLN 33 -5.698 6.114 3.932 362 QE2 GLN 33 QE2 GLN 33 -5.622 9.348 3.808 363 H TYR 34 H TYR 34 -1.391 5.117 4.060 364 HA TYR 34 HA TYR 34 0.657 6.250 5.594 365 1HB TYR 34 2HB TYR 34 0.462 3.918 5.285 366 2HB TYR 34 1HB TYR 34 0.271 4.077 3.537 367 HD1 TYR 34 1HD TYR 34 2.864 5.265 6.011 368 HD2 TYR 34 2HD TYR 34 2.054 3.016 2.442 369 HE1 TYR 34 1HE TYR 34 5.287 4.808 5.748 370 HE2 TYR 34 2HE TYR 34 4.477 2.562 2.178 371 HH TYR 34 HH TYR 34 6.744 3.186 4.665 372 QB TYR 34 QB TYR 34 0.367 3.997 4.411 373 QG TYR 34 QD TYR 34 2.459 4.140 4.227 374 QZ TYR 34 QE TYR 34 4.882 3.685 3.963 375 QR TYR 34 QR TYR 34 3.670 3.912 4.095 376 H ALA 35 H ALA 35 0.048 6.437 2.114 377 HA ALA 35 HA ALA 35 2.635 7.675 1.418 378 1HB ALA 35 2HB ALA 35 0.194 6.632 0.111 379 2HB ALA 35 1HB ALA 35 0.834 8.095 -0.655 380 3HB ALA 35 3HB ALA 35 1.860 6.662 -0.492 381 QB ALA 35 QB ALA 35 0.963 7.129 -0.345 382 H ASN 36 H ASN 36 -0.802 8.694 1.349 383 HA ASN 36 HA ASN 36 -0.384 11.467 0.838 384 1HB ASN 36 2HB ASN 36 -2.543 9.727 1.944 385 2HB ASN 36 1HB ASN 36 -2.734 11.475 2.059 386 1HD2 ASN 36 1HD2 ASN 36 -1.373 9.342 -0.527 387 2HD2 ASN 36 2HD2 ASN 36 -2.337 9.989 -1.764 388 QB ASN 36 QB ASN 36 -2.639 10.601 2.001 389 QD2 ASN 36 QD2 ASN 36 -1.855 9.666 -1.145 390 H ASP 37 H ASP 37 -0.900 9.774 3.942 391 HA ASP 37 HA ASP 37 -1.023 11.873 5.753 392 1HB ASP 37 2HB ASP 37 -1.043 9.314 6.066 393 2HB ASP 37 1HB ASP 37 0.711 9.445 6.199 394 QB ASP 37 QB ASP 37 -0.166 9.380 6.133 395 H ASN 38 H ASN 38 1.785 10.786 4.018 396 HA ASN 38 HA ASN 38 3.534 12.671 5.467 397 1HB ASN 38 2HB ASN 38 3.949 10.122 4.869 398 2HB ASN 38 1HB ASN 38 4.432 10.795 3.312 399 1HD2 ASN 38 2HD2 ASN 38 7.203 12.657 4.809 400 2HD2 ASN 38 1HD2 ASN 38 5.953 12.898 3.687 401 QB ASN 38 QB ASN 38 4.191 10.459 4.091 402 QD2 ASN 38 QD2 ASN 38 6.578 12.778 4.248 403 H GLY 39 H GLY 39 2.553 11.739 2.185 404 1HA GLY 39 2HA GLY 39 1.890 13.770 0.745 405 2HA GLY 39 1HA GLY 39 3.497 14.383 1.162 406 QA GLY 39 QA GLY 39 2.694 14.077 0.953 407 H ILE 40 H ILE 40 2.022 11.350 -0.043 408 HA ILE 40 HA ILE 40 4.416 11.004 -1.821 409 HB ILE 40 HB ILE 40 2.500 9.130 -0.474 410 1HG1 ILE 40 2HG1 ILE 40 4.636 10.552 0.618 411 2HG1 ILE 40 1HG1 ILE 40 3.864 9.152 1.333 412 1HG2 ILE 40 3HG2 ILE 40 3.333 8.228 -2.622 413 2HG2 ILE 40 2HG2 ILE 40 4.984 8.414 -2.028 414 3HG2 ILE 40 1HG2 ILE 40 3.880 7.292 -1.228 415 1HD1 ILE 40 2HD1 ILE 40 6.155 8.955 -0.615 416 2HD1 ILE 40 1HD1 ILE 40 6.373 9.021 1.138 417 3HD1 ILE 40 3HD1 ILE 40 5.489 7.676 0.410 418 QG1 ILE 40 QG1 ILE 40 4.250 9.852 0.976 419 QG2 ILE 40 QG2 ILE 40 4.066 7.978 -1.959 420 QD1 ILE 40 QD1 ILE 40 6.006 8.551 0.311 421 H ASP 41 H ASP 41 3.979 10.860 -3.994 422 HA ASP 41 HA ASP 41 1.131 10.463 -4.866 423 1HB ASP 41 2HB ASP 41 3.286 12.405 -5.621 424 2HB ASP 41 1HB ASP 41 2.171 11.882 -6.883 425 QB ASP 41 QB ASP 41 2.728 12.143 -6.252 426 H GLY 42 H GLY 42 1.412 9.932 -7.479 427 1HA GLY 42 2HA GLY 42 3.134 8.741 -8.947 428 2HA GLY 42 1HA GLY 42 3.369 7.694 -7.555 429 QA GLY 42 QA GLY 42 3.251 8.218 -8.251 430 H GLU 43 H GLU 43 2.855 6.170 -9.452 431 HA GLU 43 HA GLU 43 -0.033 5.867 -10.051 432 1HB GLU 43 2HB GLU 43 2.523 4.419 -10.811 433 2HB GLU 43 1HB GLU 43 0.931 3.974 -11.435 434 1HG GLU 43 2HG GLU 43 1.692 6.845 -11.648 435 2HG GLU 43 1HG GLU 43 2.537 5.719 -12.712 436 QB GLU 43 QB GLU 43 1.727 4.197 -11.123 437 QG GLU 43 QG GLU 43 2.115 6.282 -12.180 438 H TRP 44 H TRP 44 -1.322 4.550 -8.790 439 HA TRP 44 HA TRP 44 -0.047 2.733 -6.793 440 1HB TRP 44 2HB TRP 44 -2.698 4.083 -7.206 441 2HB TRP 44 1HB TRP 44 -2.634 2.624 -6.205 442 HD1 TRP 44 HD TRP 44 -1.431 6.242 -6.305 443 HE1 TRP 44 1HE TRP 44 -0.437 6.830 -3.996 444 HE3 TRP 44 3HE TRP 44 -1.529 1.639 -4.145 445 HZ2 TRP 44 2HZ TRP 44 0.233 5.493 -1.546 446 HZ3 TRP 44 3HZ TRP 44 -0.707 1.314 -1.824 447 HH2 TRP 44 HH TRP 44 0.181 3.232 -0.532 448 QB TRP 44 QB TRP 44 -2.666 3.353 -6.706 449 H THR 45 H THR 45 0.073 0.602 -7.175 450 HA THR 45 HA THR 45 -1.937 -0.694 -8.964 451 HB THR 45 HB THR 45 -0.239 -1.664 -10.326 452 HG1 THR 45 1HG THR 45 1.462 -2.278 -9.291 453 1HG2 THR 45 3HG2 THR 45 -0.585 0.756 -10.764 454 2HG2 THR 45 2HG2 THR 45 0.758 1.117 -9.676 455 3HG2 THR 45 1HG2 THR 45 1.049 0.229 -11.176 456 QG2 THR 45 QG2 THR 45 0.407 0.701 -10.539 457 H TYR 46 H TYR 46 -2.553 -2.653 -8.160 458 HA TYR 46 HA TYR 46 -1.201 -3.627 -5.691 459 1HB TYR 46 2HB TYR 46 -3.570 -3.261 -5.521 460 2HB TYR 46 1HB TYR 46 -3.878 -4.131 -7.027 461 HD1 TYR 46 1HD TYR 46 -1.938 -4.824 -3.887 462 HD2 TYR 46 2HD TYR 46 -4.878 -6.215 -6.689 463 HE1 TYR 46 1HE TYR 46 -2.136 -6.944 -2.625 464 HE2 TYR 46 2HE TYR 46 -5.075 -8.340 -5.423 465 HH TYR 46 HH TYR 46 -3.570 -9.683 -3.843 466 QB TYR 46 QB TYR 46 -3.724 -3.696 -6.274 467 QG TYR 46 QD TYR 46 -3.408 -5.519 -5.288 468 QZ TYR 46 QE TYR 46 -3.605 -7.642 -4.024 469 QR TYR 46 QR TYR 46 -3.507 -6.581 -4.656 470 H ASP 47 H ASP 47 -0.246 -5.672 -5.613 471 HA ASP 47 HA ASP 47 0.005 -7.127 -8.219 472 1HB ASP 47 2HB ASP 47 1.955 -6.056 -6.752 473 2HB ASP 47 1HB ASP 47 1.799 -7.571 -5.859 474 QB ASP 47 QB ASP 47 1.877 -6.814 -6.306 475 H ASP 48 H ASP 48 -1.722 -8.586 -8.098 476 HA ASP 48 HA ASP 48 -2.516 -9.970 -5.688 477 1HB ASP 48 2HB ASP 48 -3.896 -11.272 -7.300 478 2HB ASP 48 1HB ASP 48 -4.015 -9.535 -7.577 479 QB ASP 48 QB ASP 48 -3.955 -10.403 -7.439 480 H ALA 49 H ALA 49 0.243 -10.404 -7.580 481 HA ALA 49 HA ALA 49 0.369 -13.343 -7.294 482 1HB ALA 49 1HB ALA 49 1.109 -11.830 -9.294 483 2HB ALA 49 3HB ALA 49 2.532 -11.500 -8.306 484 3HB ALA 49 2HB ALA 49 2.171 -13.152 -8.808 485 QB ALA 49 QB ALA 49 1.937 -12.161 -8.803 486 H THR 50 H THR 50 1.612 -10.396 -5.826 487 HA THR 50 HA THR 50 3.126 -12.075 -3.856 488 HB THR 50 HB THR 50 4.771 -10.207 -3.824 489 HG1 THR 50 1HG THR 50 3.247 -9.224 -6.000 490 1HG2 THR 50 3HG2 THR 50 4.732 -12.206 -5.532 491 2HG2 THR 50 2HG2 THR 50 4.398 -10.937 -6.709 492 3HG2 THR 50 1HG2 THR 50 5.880 -10.887 -5.755 493 QG2 THR 50 QG2 THR 50 5.003 -11.343 -5.999 494 H LYS 51 H LYS 51 0.419 -10.257 -4.190 495 HA LYS 51 HA LYS 51 -0.913 -8.992 -2.710 496 1HB LYS 51 2HB LYS 51 0.972 -10.293 -0.709 497 2HB LYS 51 1HB LYS 51 -0.612 -9.615 -0.340 498 1HG LYS 51 2HG LYS 51 -0.299 -11.781 -2.419 499 2HG LYS 51 1HG LYS 51 -0.453 -12.178 -0.708 500 1HD LYS 51 2HD LYS 51 -2.575 -10.937 -0.598 501 2HD LYS 51 1HD LYS 51 -2.421 -10.513 -2.303 502 1HE LYS 51 2HE LYS 51 -2.542 -12.872 -2.947 503 2HE LYS 51 1HE LYS 51 -2.591 -13.356 -1.240 504 1HZ LYS 51 3HZ LYS 51 -4.558 -11.873 -1.001 505 2HZ LYS 51 2HZ LYS 51 -4.571 -11.685 -2.690 506 3HZ LYS 51 1HZ LYS 51 -4.830 -13.216 -2.001 507 QB LYS 51 QB LYS 51 0.180 -9.954 -0.525 508 QG LYS 51 QG LYS 51 -0.376 -11.979 -1.564 509 QD LYS 51 QD LYS 51 -2.498 -10.725 -1.450 510 QE LYS 51 QE LYS 51 -2.566 -13.114 -2.094 511 QZ LYS 51 QZ LYS 51 -4.653 -12.258 -1.897 512 H THR 52 H THR 52 1.264 -7.593 -3.913 513 HA THR 52 HA THR 52 1.980 -5.675 -1.708 514 HB THR 52 HB THR 52 3.652 -6.568 -4.077 515 HG1 THR 52 1HG THR 52 3.523 -8.202 -2.583 516 1HG2 THR 52 2HG2 THR 52 4.224 -4.755 -1.720 517 2HG2 THR 52 1HG2 THR 52 5.469 -5.389 -2.797 518 3HG2 THR 52 3HG2 THR 52 4.223 -4.312 -3.428 519 QG2 THR 52 QG2 THR 52 4.639 -4.819 -2.648 520 H PHE 53 H PHE 53 1.648 -3.511 -2.197 521 HA PHE 53 HA PHE 53 0.401 -2.876 -4.814 522 1HB PHE 53 2HB PHE 53 0.687 -1.451 -2.157 523 2HB PHE 53 1HB PHE 53 -0.094 -0.715 -3.557 524 HD1 PHE 53 1HD PHE 53 -0.225 -3.643 -1.248 525 HD2 PHE 53 2HD PHE 53 -2.341 -1.268 -4.144 526 HE1 PHE 53 1HE PHE 53 -2.335 -4.831 -0.689 527 HE2 PHE 53 2HE PHE 53 -4.438 -2.455 -3.578 528 1HZ PHE 53 HZ PHE 53 -4.436 -4.234 -1.856 529 QB PHE 53 QB PHE 53 0.296 -1.083 -2.857 530 QG PHE 53 QD PHE 53 -1.283 -2.455 -2.696 531 QZ PHE 53 QE PHE 53 -3.387 -3.643 -2.134 532 QZ PHE 53 QR PHE 53 -2.755 -3.286 -2.303 533 H THR 54 H THR 54 1.146 -0.250 -5.334 534 HA THR 54 HA THR 54 4.042 0.104 -4.966 535 HB THR 54 HB THR 54 2.869 -0.449 -7.713 536 HG1 THR 54 1HG THR 54 3.245 -2.452 -7.296 537 1HG2 THR 54 1HG2 THR 54 4.991 1.076 -7.226 538 2HG2 THR 54 3HG2 THR 54 5.786 -0.490 -7.071 539 3HG2 THR 54 2HG2 THR 54 4.975 -0.059 -8.577 540 QG2 THR 54 QG2 THR 54 5.251 0.176 -7.625 541 H VAL 55 H VAL 55 4.203 2.274 -4.739 542 HA VAL 55 HA VAL 55 2.332 4.029 -6.295 543 HB VAL 55 HB VAL 55 1.706 4.160 -4.006 544 1HG1 VAL 55 1HG1 VAL 55 4.650 4.317 -3.298 545 2HG1 VAL 55 3HG1 VAL 55 3.312 4.476 -2.151 546 3HG1 VAL 55 2HG1 VAL 55 3.555 2.950 -3.013 547 1HG2 VAL 55 1HG2 VAL 55 2.000 6.400 -4.968 548 2HG2 VAL 55 3HG2 VAL 55 2.373 6.409 -3.237 549 3HG2 VAL 55 2HG2 VAL 55 3.681 6.420 -4.432 550 QG1 VAL 55 QG1 VAL 55 3.839 3.914 -2.821 551 QG2 VAL 55 QG2 VAL 55 2.684 6.410 -4.212 552 QQG VAL 55 QQG VAL 55 3.262 5.162 -3.516 553 H THR 56 H THR 56 3.813 4.230 -8.029 554 HA THR 56 HA THR 56 6.562 5.130 -7.516 555 HB THR 56 HB THR 56 5.089 3.670 -9.473 556 HG1 THR 56 1HG THR 56 6.983 2.867 -9.218 557 1HG2 THR 56 3HG2 THR 56 6.447 6.092 -10.686 558 2HG2 THR 56 2HG2 THR 56 5.986 4.648 -11.589 559 3HG2 THR 56 1HG2 THR 56 4.740 5.650 -10.831 560 QG2 THR 56 QG2 THR 56 5.724 5.463 -11.035 561 H GLU 57 H GLU 57 6.537 7.236 -6.732 562 HA GLU 57 HA GLU 57 4.791 9.355 -7.486 563 1HB GLU 57 2HB GLU 57 6.643 9.026 -5.617 564 2HB GLU 57 1HB GLU 57 7.678 9.832 -6.797 565 1HG GLU 57 2HG GLU 57 6.012 11.685 -6.938 566 2HG GLU 57 1HG GLU 57 5.076 10.900 -5.664 567 QB GLU 57 QB GLU 57 7.161 9.429 -6.207 568 QG GLU 57 QG GLU 57 5.544 11.293 -6.301 No H/Q in entry = 568 Start of MODEL 37 1 1H MET 1 2HT MET 1 -2.074 -15.884 5.408 2 2H MET 1 1HT MET 1 -0.388 -15.687 5.484 3 3H MET 1 3HT MET 1 -1.224 -16.354 6.801 4 HA MET 1 HA MET 1 -2.226 -14.305 7.363 5 1HB MET 1 2HB MET 1 0.685 -14.376 6.647 6 2HB MET 1 1HB MET 1 0.005 -12.860 7.240 7 1HG MET 1 2HG MET 1 0.545 -13.801 9.269 8 2HG MET 1 1HG MET 1 -1.054 -14.514 9.069 9 1HE MET 1 1HE MET 1 2.199 -14.960 10.122 10 2HE MET 1 3HE MET 1 2.853 -16.521 9.608 11 3HE MET 1 2HE MET 1 2.869 -15.149 8.503 12 QB MET 1 QB MET 1 0.345 -13.618 6.944 13 QG MET 1 QG MET 1 -0.254 -14.158 9.169 14 QE MET 1 QE MET 1 2.640 -15.543 9.411 15 H THR 2 H THR 2 -2.108 -11.831 6.805 16 HA THR 2 HA THR 2 -2.437 -11.481 3.840 17 HB THR 2 HB THR 2 -3.958 -10.167 6.116 18 HG1 THR 2 1HG THR 2 -4.973 -11.994 6.112 19 1HG2 THR 2 3HG2 THR 2 -4.043 -9.980 3.122 20 2HG2 THR 2 2HG2 THR 2 -5.534 -9.775 4.041 21 3HG2 THR 2 1HG2 THR 2 -4.170 -8.695 4.323 22 QG2 THR 2 QG2 THR 2 -4.582 -9.483 3.829 23 H THR 3 H THR 3 -0.055 -10.945 5.613 24 HA THR 3 HA THR 3 0.216 -8.149 6.166 25 HB THR 3 HB THR 3 2.387 -10.081 5.305 26 HG1 THR 3 1HG THR 3 1.070 -9.778 7.796 27 1HG2 THR 3 3HG2 THR 3 2.597 -7.457 5.945 28 2HG2 THR 3 2HG2 THR 3 2.708 -8.172 7.553 29 3HG2 THR 3 1HG2 THR 3 3.857 -8.639 6.300 30 QG2 THR 3 QG2 THR 3 3.054 -8.089 6.599 31 H PHE 4 H PHE 4 -0.701 -7.076 4.292 32 HA PHE 4 HA PHE 4 0.339 -7.446 1.608 33 1HB PHE 4 2HB PHE 4 -1.437 -5.546 3.093 34 2HB PHE 4 1HB PHE 4 -0.847 -5.059 1.504 35 HD1 PHE 4 1HD PHE 4 -1.030 -6.912 -0.378 36 HD2 PHE 4 2HD PHE 4 -3.375 -6.844 3.220 37 HE1 PHE 4 1HE PHE 4 -2.727 -8.362 -1.453 38 HE2 PHE 4 2HE PHE 4 -5.070 -8.298 2.140 39 1HZ PHE 4 HZ PHE 4 -4.743 -9.059 -0.195 40 QB PHE 4 QB PHE 4 -1.142 -5.303 2.299 41 QG PHE 4 QD PHE 4 -2.203 -6.878 1.421 42 QZ PHE 4 QE PHE 4 -3.899 -8.330 0.344 43 QZ PHE 4 QR PHE 4 -3.389 -7.895 0.667 44 H LYS 5 H LYS 5 2.212 -6.610 0.786 45 HA LYS 5 HA LYS 5 3.768 -4.667 2.414 46 1HB LYS 5 2HB LYS 5 4.414 -6.272 -0.087 47 2HB LYS 5 1HB LYS 5 5.576 -5.334 0.850 48 1HG LYS 5 2HG LYS 5 5.933 -7.202 2.070 49 2HG LYS 5 1HG LYS 5 4.332 -6.948 2.763 50 1HD LYS 5 2HD LYS 5 3.311 -8.463 1.282 51 2HD LYS 5 1HD LYS 5 4.644 -8.377 0.130 52 1HE LYS 5 2HE LYS 5 5.897 -9.298 2.431 53 2HE LYS 5 1HE LYS 5 4.328 -10.128 2.465 54 1HZ LYS 5 3HZ LYS 5 4.669 -10.642 0.077 55 2HZ LYS 5 2HZ LYS 5 6.247 -10.024 0.200 56 3HZ LYS 5 1HZ LYS 5 5.798 -11.397 1.094 57 QB LYS 5 QB LYS 5 4.995 -5.803 0.382 58 QG LYS 5 QG LYS 5 5.132 -7.075 2.416 59 QD LYS 5 QD LYS 5 3.978 -8.420 0.706 60 QE LYS 5 QE LYS 5 5.112 -9.713 2.448 61 QZ LYS 5 QZ LYS 5 5.571 -10.688 0.457 62 H LEU 6 H LEU 6 4.947 -2.928 1.012 63 HA LEU 6 HA LEU 6 3.372 -2.028 -1.342 64 1HB LEU 6 2HB LEU 6 2.205 -1.137 0.634 65 2HB LEU 6 1HB LEU 6 3.716 -0.458 1.239 66 HG LEU 6 HG LEU 6 3.673 0.663 -1.229 67 1HD1 LEU 6 2HD1 LEU 6 0.919 -0.223 -0.632 68 2HD1 LEU 6 1HD1 LEU 6 1.066 1.467 -1.113 69 3HD1 LEU 6 3HD1 LEU 6 1.661 0.192 -2.175 70 1HD2 LEU 6 3HD2 LEU 6 3.502 1.537 1.359 71 2HD2 LEU 6 2HD2 LEU 6 3.463 2.602 -0.046 72 3HD2 LEU 6 1HD2 LEU 6 1.956 2.091 0.713 73 QB LEU 6 QB LEU 6 2.961 -0.798 0.937 74 QD1 LEU 6 QD1 LEU 6 1.215 0.478 -1.307 75 QD2 LEU 6 QD2 LEU 6 2.974 2.077 0.675 76 QQD LEU 6 QQD LEU 6 2.094 1.278 -0.316 77 H ILE 7 H ILE 7 5.120 -1.910 -2.733 78 HA ILE 7 HA ILE 7 7.697 -0.767 -1.813 79 HB ILE 7 HB ILE 7 6.711 -1.941 -4.440 80 1HG1 ILE 7 2HG1 ILE 7 8.599 -3.121 -2.384 81 2HG1 ILE 7 1HG1 ILE 7 6.870 -3.470 -2.422 82 1HG2 ILE 7 1HG2 ILE 7 8.614 -0.316 -4.679 83 2HG2 ILE 7 3HG2 ILE 7 9.555 -1.326 -3.578 84 3HG2 ILE 7 2HG2 ILE 7 9.038 -1.967 -5.139 85 1HD1 ILE 7 1HD1 ILE 7 8.398 -3.782 -4.968 86 2HD1 ILE 7 3HD1 ILE 7 8.632 -5.004 -3.719 87 3HD1 ILE 7 2HD1 ILE 7 7.019 -4.702 -4.365 88 QG1 ILE 7 QG1 ILE 7 7.734 -3.295 -2.403 89 QG2 ILE 7 QG2 ILE 7 9.069 -1.203 -4.465 90 QD1 ILE 7 QD1 ILE 7 8.016 -4.496 -4.351 91 H ILE 8 H ILE 8 8.008 1.439 -2.006 92 HA ILE 8 HA ILE 8 6.146 2.923 -3.757 93 HB ILE 8 HB ILE 8 8.191 3.909 -1.740 94 1HG1 ILE 8 2HG1 ILE 8 6.095 4.519 -0.444 95 2HG1 ILE 8 1HG1 ILE 8 5.179 3.571 -1.604 96 1HG2 ILE 8 3HG2 ILE 8 7.577 5.495 -3.618 97 2HG2 ILE 8 2HG2 ILE 8 5.898 5.389 -3.066 98 3HG2 ILE 8 1HG2 ILE 8 7.139 6.076 -2.009 99 1HD1 ILE 8 3HD1 ILE 8 7.512 2.301 -0.258 100 2HD1 ILE 8 2HD1 ILE 8 6.006 2.482 0.644 101 3HD1 ILE 8 1HD1 ILE 8 6.028 1.577 -0.872 102 QG1 ILE 8 QG1 ILE 8 5.637 4.045 -1.024 103 QG2 ILE 8 QG2 ILE 8 6.872 5.653 -2.898 104 QD1 ILE 8 QD1 ILE 8 6.515 2.120 -0.162 105 H ASN 9 H ASN 9 6.846 3.545 -5.801 106 HA ASN 9 HA ASN 9 9.630 3.105 -6.575 107 1HB ASN 9 2HB ASN 9 7.590 4.549 -8.258 108 2HB ASN 9 1HB ASN 9 8.870 3.468 -8.785 109 1HD2 ASN 9 2HD2 ASN 9 5.332 1.864 -8.623 110 2HD2 ASN 9 1HD2 ASN 9 5.740 3.458 -9.052 111 QB ASN 9 QB ASN 9 8.230 4.008 -8.522 112 QD2 ASN 9 QD2 ASN 9 5.536 2.661 -8.838 113 H GLY 10 H GLY 10 7.620 5.824 -5.766 114 1HA GLY 10 2HA GLY 10 9.257 7.923 -6.803 115 2HA GLY 10 1HA GLY 10 8.101 8.104 -5.482 116 QA GLY 10 QA GLY 10 8.679 8.013 -6.142 117 H LYS 11 H LYS 11 10.851 9.201 -5.750 118 HA LYS 11 HA LYS 11 12.747 7.840 -4.124 119 1HB LYS 11 2HB LYS 11 13.713 10.128 -3.871 120 2HB LYS 11 1HB LYS 11 13.259 9.773 -5.537 121 1HG LYS 11 2HG LYS 11 11.560 11.308 -5.545 122 2HG LYS 11 1HG LYS 11 11.154 11.024 -3.853 123 1HD LYS 11 2HD LYS 11 12.608 12.615 -3.097 124 2HD LYS 11 1HD LYS 11 13.811 12.249 -4.333 125 1HE LYS 11 2HE LYS 11 12.067 13.317 -5.984 126 2HE LYS 11 1HE LYS 11 11.419 14.069 -4.511 127 1HZ LYS 11 1HZ LYS 11 14.302 14.079 -5.217 128 2HZ LYS 11 3HZ LYS 11 13.250 15.348 -5.614 129 3HZ LYS 11 2HZ LYS 11 13.535 14.963 -3.984 130 QB LYS 11 QB LYS 11 13.486 9.950 -4.704 131 QG LYS 11 QG LYS 11 11.357 11.166 -4.699 132 QD LYS 11 QD LYS 11 13.209 12.432 -3.715 133 QE LYS 11 QE LYS 11 11.743 13.693 -5.248 134 QZ LYS 11 QZ LYS 11 13.696 14.797 -4.938 135 H THR 12 H THR 12 9.814 9.496 -3.242 136 HA THR 12 HA THR 12 10.447 10.211 -0.534 137 HB THR 12 HB THR 12 7.867 10.025 -0.374 138 HG1 THR 12 1HG THR 12 6.966 9.910 -2.542 139 1HG2 THR 12 1HG2 THR 12 9.483 11.998 -1.237 140 2HG2 THR 12 3HG2 THR 12 8.566 11.719 -2.717 141 3HG2 THR 12 2HG2 THR 12 7.726 12.149 -1.226 142 QG2 THR 12 QG2 THR 12 8.592 11.955 -1.726 143 H LEU 13 H LEU 13 11.051 8.818 1.010 144 HA LEU 13 HA LEU 13 11.111 6.996 2.428 145 1HB LEU 13 2HB LEU 13 9.031 6.481 3.143 146 2HB LEU 13 1HB LEU 13 8.489 7.603 1.911 147 HG LEU 13 HG LEU 13 8.357 5.585 0.344 148 1HD1 LEU 13 2HD1 LEU 13 9.140 4.310 2.906 149 2HD1 LEU 13 1HD1 LEU 13 7.848 3.511 2.008 150 3HD1 LEU 13 3HD1 LEU 13 9.422 3.767 1.252 151 1HD2 LEU 13 3HD2 LEU 13 6.624 5.962 2.776 152 2HD2 LEU 13 2HD2 LEU 13 6.332 6.525 1.131 153 3HD2 LEU 13 1HD2 LEU 13 6.204 4.805 1.513 154 QB LEU 13 QB LEU 13 8.760 7.042 2.527 155 QD1 LEU 13 QD1 LEU 13 8.803 3.862 2.055 156 QD2 LEU 13 QD2 LEU 13 6.386 5.764 1.807 157 QQD LEU 13 QQD LEU 13 7.595 4.813 1.931 158 H LYS 14 H LYS 14 9.830 5.808 -0.758 159 HA LYS 14 HA LYS 14 10.423 3.865 -1.969 160 1HB LYS 14 2HB LYS 14 12.803 5.404 -1.110 161 2HB LYS 14 1HB LYS 14 13.130 3.797 -1.758 162 1HG LYS 14 2HG LYS 14 11.263 4.769 -3.542 163 2HG LYS 14 1HG LYS 14 12.182 6.218 -3.136 164 1HD LYS 14 2HD LYS 14 13.527 3.622 -3.902 165 2HD LYS 14 1HD LYS 14 13.074 4.836 -5.098 166 1HE LYS 14 2HE LYS 14 14.449 6.523 -3.918 167 2HE LYS 14 1HE LYS 14 14.916 5.295 -2.723 168 1HZ LYS 14 2HZ LYS 14 15.674 3.901 -4.610 169 2HZ LYS 14 1HZ LYS 14 15.403 5.215 -5.652 170 3HZ LYS 14 3HZ LYS 14 16.574 5.332 -4.430 171 QB LYS 14 QB LYS 14 12.967 4.600 -1.434 172 QG LYS 14 QG LYS 14 11.722 5.494 -3.339 173 QD LYS 14 QD LYS 14 13.301 4.229 -4.500 174 QE LYS 14 QE LYS 14 14.682 5.909 -3.321 175 QZ LYS 14 QZ LYS 14 15.884 4.816 -4.898 176 H GLY 15 H GLY 15 9.572 2.066 -0.745 177 1HA GLY 15 2HA GLY 15 11.305 0.065 0.080 178 2HA GLY 15 1HA GLY 15 11.027 1.000 1.548 179 QA GLY 15 QA GLY 15 11.166 0.532 0.814 180 H GLU 16 H GLU 16 10.103 -1.136 2.237 181 HA GLU 16 HA GLU 16 7.210 -1.372 1.457 182 1HB GLU 16 2HB GLU 16 9.307 -3.463 2.108 183 2HB GLU 16 1HB GLU 16 7.589 -3.825 1.933 184 1HG GLU 16 2HG GLU 16 7.596 -3.439 -0.349 185 2HG GLU 16 1HG GLU 16 8.943 -2.303 -0.257 186 QB GLU 16 QB GLU 16 8.448 -3.644 2.021 187 QG GLU 16 QG GLU 16 8.270 -2.871 -0.303 188 H ILE 17 H ILE 17 5.794 -1.944 3.232 189 HA ILE 17 HA ILE 17 7.010 -1.545 5.949 190 HB ILE 17 HB ILE 17 4.279 -0.760 4.883 191 1HG1 ILE 17 2HG1 ILE 17 5.471 1.566 5.546 192 2HG1 ILE 17 1HG1 ILE 17 6.903 0.637 5.105 193 1HG2 ILE 17 1HG2 ILE 17 5.635 -0.317 7.556 194 2HG2 ILE 17 3HG2 ILE 17 4.179 0.536 7.044 195 3HG2 ILE 17 2HG2 ILE 17 4.147 -1.215 7.255 196 1HD1 ILE 17 2HD1 ILE 17 5.237 -0.014 3.049 197 2HD1 ILE 17 1HD1 ILE 17 4.698 1.630 3.398 198 3HD1 ILE 17 3HD1 ILE 17 6.386 1.322 2.991 199 QG1 ILE 17 QG1 ILE 17 6.187 1.101 5.325 200 QG2 ILE 17 QG2 ILE 17 4.654 -0.332 7.285 201 QD1 ILE 17 QD1 ILE 17 5.440 0.979 3.146 202 H THR 18 H THR 18 5.144 -3.666 3.953 203 HA THR 18 HA THR 18 3.870 -5.600 4.396 204 HB THR 18 HB THR 18 5.061 -7.044 6.083 205 HG1 THR 18 1HG THR 18 5.687 -5.378 7.491 206 1HG2 THR 18 1HG2 THR 18 6.307 -5.655 3.781 207 2HG2 THR 18 3HG2 THR 18 7.410 -6.523 4.847 208 3HG2 THR 18 2HG2 THR 18 6.078 -7.380 4.071 209 QG2 THR 18 QG2 THR 18 6.598 -6.519 4.233 210 H ILE 19 H ILE 19 1.828 -4.860 5.097 211 HA ILE 19 HA ILE 19 1.442 -4.795 8.074 212 HB ILE 19 HB ILE 19 -0.224 -3.017 7.695 213 1HG1 ILE 19 2HG1 ILE 19 0.192 -2.066 5.138 214 2HG1 ILE 19 1HG1 ILE 19 0.204 -3.809 4.881 215 1HG2 ILE 19 1HG2 ILE 19 2.381 -2.649 7.827 216 2HG2 ILE 19 3HG2 ILE 19 2.189 -2.123 6.155 217 3HG2 ILE 19 2HG2 ILE 19 1.317 -1.295 7.445 218 1HD1 ILE 19 1HD1 ILE 19 -1.930 -3.631 6.520 219 2HD1 ILE 19 3HD1 ILE 19 -2.020 -2.041 5.760 220 3HD1 ILE 19 2HD1 ILE 19 -2.064 -3.498 4.766 221 QG1 ILE 19 QG1 ILE 19 0.198 -2.938 5.009 222 QG2 ILE 19 QG2 ILE 19 1.962 -2.022 7.143 223 QD1 ILE 19 QD1 ILE 19 -2.005 -3.057 5.682 224 H GLU 20 H GLU 20 -0.257 -6.027 8.833 225 HA GLU 20 HA GLU 20 -1.601 -7.854 6.970 226 1HB GLU 20 2HB GLU 20 -0.693 -8.420 9.258 227 2HB GLU 20 1HB GLU 20 -1.975 -7.426 9.951 228 1HG GLU 20 2HG GLU 20 -3.640 -8.855 8.695 229 2HG GLU 20 1HG GLU 20 -2.302 -9.924 8.270 230 QB GLU 20 QB GLU 20 -1.334 -7.923 9.605 231 QG GLU 20 QG GLU 20 -2.971 -9.389 8.482 232 H ALA 21 H ALA 21 -3.864 -7.878 6.560 233 HA ALA 21 HA ALA 21 -5.628 -5.858 7.775 234 1HB ALA 21 3HB ALA 21 -4.373 -5.644 5.071 235 2HB ALA 21 2HB ALA 21 -6.051 -5.127 5.234 236 3HB ALA 21 1HB ALA 21 -4.796 -4.367 6.211 237 QB ALA 21 QB ALA 21 -5.073 -5.046 5.505 238 H VAL 22 H VAL 22 -7.875 -6.085 6.872 239 HA VAL 22 HA VAL 22 -8.802 -8.735 6.800 240 HB VAL 22 HB VAL 22 -10.152 -6.735 7.296 241 1HG1 VAL 22 3HG1 VAL 22 -8.997 -5.433 5.361 242 2HG1 VAL 22 2HG1 VAL 22 -10.249 -6.142 4.342 243 3HG1 VAL 22 1HG1 VAL 22 -10.697 -5.100 5.692 244 1HG2 VAL 22 1HG2 VAL 22 -11.076 -8.956 6.178 245 2HG2 VAL 22 3HG2 VAL 22 -12.138 -7.570 6.426 246 3HG2 VAL 22 2HG2 VAL 22 -11.437 -7.869 4.836 247 QG1 VAL 22 QG1 VAL 22 -9.981 -5.558 5.132 248 QG2 VAL 22 QG2 VAL 22 -11.550 -8.132 5.813 249 QQG VAL 22 QQG VAL 22 -10.766 -6.845 5.473 250 H ASP 23 H ASP 23 -7.967 -6.578 4.099 251 HA ASP 23 HA ASP 23 -7.504 -8.867 2.318 252 1HB ASP 23 2HB ASP 23 -9.964 -7.175 2.284 253 2HB ASP 23 1HB ASP 23 -9.268 -7.606 0.722 254 QB ASP 23 QB ASP 23 -9.616 -7.391 1.503 255 H ALA 24 H ALA 24 -6.965 -7.905 0.016 256 HA ALA 24 HA ALA 24 -4.868 -5.981 0.282 257 1HB ALA 24 1HB ALA 24 -5.633 -7.779 -1.577 258 2HB ALA 24 3HB ALA 24 -6.271 -6.317 -2.331 259 3HB ALA 24 2HB ALA 24 -4.551 -6.439 -1.957 260 QB ALA 24 QB ALA 24 -5.485 -6.845 -1.955 261 H ALA 25 H ALA 25 -8.299 -5.647 -0.498 262 HA ALA 25 HA ALA 25 -8.365 -3.012 -1.511 263 1HB ALA 25 1HB ALA 25 -10.188 -4.907 -0.135 264 2HB ALA 25 3HB ALA 25 -10.677 -3.213 -0.090 265 3HB ALA 25 2HB ALA 25 -10.425 -4.018 -1.639 266 QB ALA 25 QB ALA 25 -10.430 -4.046 -0.621 267 H GLU 26 H GLU 26 -8.388 -4.191 1.842 268 HA GLU 26 HA GLU 26 -8.592 -1.552 3.054 269 1HB GLU 26 2HB GLU 26 -9.144 -3.973 3.927 270 2HB GLU 26 1HB GLU 26 -7.438 -4.004 4.370 271 1HG GLU 26 2HG GLU 26 -8.666 -3.196 6.284 272 2HG GLU 26 1HG GLU 26 -7.803 -1.823 5.591 273 QB GLU 26 QB GLU 26 -8.291 -3.989 4.148 274 QG GLU 26 QG GLU 26 -8.235 -2.509 5.937 275 H ALA 27 H ALA 27 -5.933 -3.859 2.450 276 HA ALA 27 HA ALA 27 -3.792 -2.416 3.638 277 1HB ALA 27 3HB ALA 27 -4.182 -4.480 1.539 278 2HB ALA 27 2HB ALA 27 -2.647 -3.610 1.466 279 3HB ALA 27 1HB ALA 27 -3.100 -4.486 2.932 280 QB ALA 27 QB ALA 27 -3.310 -4.192 1.979 281 H GLU 28 H GLU 28 -5.080 -2.259 0.300 282 HA GLU 28 HA GLU 28 -3.301 -0.280 -0.722 283 1HB GLU 28 2HB GLU 28 -5.121 -1.778 -1.846 284 2HB GLU 28 1HB GLU 28 -6.227 -0.467 -1.442 285 1HG GLU 28 2HG GLU 28 -4.306 1.018 -2.541 286 2HG GLU 28 1HG GLU 28 -3.944 -0.488 -3.383 287 QB GLU 28 QB GLU 28 -5.674 -1.122 -1.644 288 QG GLU 28 QG GLU 28 -4.125 0.265 -2.962 289 H LYS 29 H LYS 29 -6.331 0.005 1.133 290 HA LYS 29 HA LYS 29 -6.534 2.892 0.973 291 1HB LYS 29 2HB LYS 29 -7.549 0.841 2.975 292 2HB LYS 29 1HB LYS 29 -8.098 2.514 2.899 293 1HG LYS 29 2HG LYS 29 -8.181 1.006 0.342 294 2HG LYS 29 1HG LYS 29 -9.329 0.493 1.578 295 1HD LYS 29 2HD LYS 29 -10.615 2.175 0.732 296 2HD LYS 29 1HD LYS 29 -9.599 3.202 1.744 297 1HE LYS 29 2HE LYS 29 -7.997 3.212 -0.349 298 2HE LYS 29 1HE LYS 29 -9.471 2.763 -1.229 299 1HZ LYS 29 1HZ LYS 29 -10.607 4.611 -0.055 300 2HZ LYS 29 3HZ LYS 29 -9.107 5.099 0.569 301 3HZ LYS 29 2HZ LYS 29 -9.380 5.137 -1.108 302 QB LYS 29 QB LYS 29 -7.823 1.677 2.937 303 QG LYS 29 QG LYS 29 -8.755 0.750 0.960 304 QD LYS 29 QD LYS 29 -10.107 2.688 1.238 305 QE LYS 29 QE LYS 29 -8.734 2.988 -0.789 306 QZ LYS 29 QZ LYS 29 -9.698 4.949 -0.198 307 H ILE 30 H ILE 30 -5.372 0.690 3.547 308 HA ILE 30 HA ILE 30 -4.387 2.636 5.373 309 HB ILE 30 HB ILE 30 -3.380 -0.155 4.689 310 1HG1 ILE 30 2HG1 ILE 30 -5.136 0.508 7.028 311 2HG1 ILE 30 1HG1 ILE 30 -5.873 0.359 5.433 312 1HG2 ILE 30 2HG2 ILE 30 -1.780 1.182 6.057 313 2HG2 ILE 30 1HG2 ILE 30 -3.058 1.457 7.241 314 3HG2 ILE 30 3HG2 ILE 30 -2.457 -0.176 6.958 315 1HD1 ILE 30 3HD1 ILE 30 -3.956 -1.786 6.148 316 2HD1 ILE 30 2HD1 ILE 30 -5.447 -1.755 7.091 317 3HD1 ILE 30 1HD1 ILE 30 -5.519 -1.894 5.334 318 QG1 ILE 30 QG1 ILE 30 -5.505 0.434 6.231 319 QG2 ILE 30 QG2 ILE 30 -2.432 0.821 6.752 320 QD1 ILE 30 QD1 ILE 30 -4.974 -1.812 6.191 321 H PHE 31 H PHE 31 -2.877 1.071 2.574 322 HA PHE 31 HA PHE 31 -0.289 2.363 2.871 323 1HB PHE 31 2HB PHE 31 -1.772 0.740 0.819 324 2HB PHE 31 1HB PHE 31 -0.288 1.562 0.341 325 HD1 PHE 31 1HD PHE 31 1.503 1.400 2.526 326 HD2 PHE 31 2HD PHE 31 -1.385 -1.510 1.249 327 HE1 PHE 31 1HE PHE 31 2.846 -0.393 3.583 328 HE2 PHE 31 2HE PHE 31 -0.041 -3.307 2.309 329 1HZ PHE 31 HZ PHE 31 2.076 -2.747 3.478 330 QB PHE 31 QB PHE 31 -1.030 1.151 0.580 331 QG PHE 31 QD PHE 31 0.059 -0.055 1.887 332 QZ PHE 31 QE PHE 31 1.403 -1.850 2.946 333 QZ PHE 31 QR PHE 31 1.000 -1.312 2.629 334 H LYS 32 H LYS 32 -3.279 3.035 1.097 335 HA LYS 32 HA LYS 32 -2.225 5.285 -0.375 336 1HB LYS 32 2HB LYS 32 -4.909 4.055 0.121 337 2HB LYS 32 1HB LYS 32 -4.790 5.615 -0.689 338 1HG LYS 32 2HG LYS 32 -3.363 4.693 -2.411 339 2HG LYS 32 1HG LYS 32 -3.271 3.144 -1.572 340 1HD LYS 32 2HD LYS 32 -5.466 2.571 -2.119 341 2HD LYS 32 1HD LYS 32 -5.962 4.252 -2.317 342 1HE LYS 32 2HE LYS 32 -3.864 3.198 -4.176 343 2HE LYS 32 1HE LYS 32 -5.550 2.715 -4.453 344 1HZ LYS 32 1HZ LYS 32 -4.687 5.518 -3.983 345 2HZ LYS 32 3HZ LYS 32 -4.929 4.860 -5.526 346 3HZ LYS 32 2HZ LYS 32 -6.232 4.984 -4.444 347 QB LYS 32 QB LYS 32 -4.850 4.835 -0.284 348 QG LYS 32 QG LYS 32 -3.317 3.918 -1.991 349 QD LYS 32 QD LYS 32 -5.714 3.411 -2.218 350 QE LYS 32 QE LYS 32 -4.707 2.957 -4.315 351 QZ LYS 32 QZ LYS 32 -5.283 5.120 -4.651 352 H GLN 33 H GLN 33 -2.824 4.991 2.892 353 HA GLN 33 HA GLN 33 -3.723 7.861 3.153 354 1HB GLN 33 2HB GLN 33 -5.058 5.977 4.236 355 2HB GLN 33 1HB GLN 33 -3.635 5.623 5.216 356 1HG GLN 33 2HG GLN 33 -3.711 7.792 6.253 357 2HG GLN 33 1HG GLN 33 -4.947 8.351 5.125 358 1HE2 GLN 33 2HE2 GLN 33 -6.230 6.798 8.502 359 2HE2 GLN 33 1HE2 GLN 33 -4.743 7.580 8.258 360 QB GLN 33 QB GLN 33 -4.347 5.800 4.726 361 QG GLN 33 QG GLN 33 -4.329 8.071 5.689 362 QE2 GLN 33 QE2 GLN 33 -5.486 7.189 8.380 363 H TYR 34 H TYR 34 -1.605 5.333 4.274 364 HA TYR 34 HA TYR 34 0.310 6.704 5.837 365 1HB TYR 34 2HB TYR 34 0.197 4.341 5.786 366 2HB TYR 34 1HB TYR 34 0.093 4.301 4.022 367 HD1 TYR 34 1HD TYR 34 2.151 4.470 2.662 368 HD2 TYR 34 2HD TYR 34 2.336 4.582 6.953 369 HE1 TYR 34 1HE TYR 34 4.600 4.097 2.566 370 HE2 TYR 34 2HE TYR 34 4.786 4.211 6.856 371 HH TYR 34 HH TYR 34 6.624 4.472 5.323 372 QB TYR 34 QB TYR 34 0.145 4.321 4.904 373 QG TYR 34 QD TYR 34 2.243 4.526 4.807 374 QZ TYR 34 QE TYR 34 4.693 4.154 4.711 375 QR TYR 34 QR TYR 34 3.468 4.340 4.759 376 H ALA 35 H ALA 35 0.109 6.120 2.330 377 HA ALA 35 HA ALA 35 2.584 7.268 1.473 378 1HB ALA 35 2HB ALA 35 -0.121 6.679 0.331 379 2HB ALA 35 1HB ALA 35 0.956 7.709 -0.611 380 3HB ALA 35 3HB ALA 35 1.459 6.077 -0.169 381 QB ALA 35 QB ALA 35 0.765 6.822 -0.150 382 H ASN 36 H ASN 36 -0.676 8.754 1.653 383 HA ASN 36 HA ASN 36 0.064 11.392 0.864 384 1HB ASN 36 2HB ASN 36 -2.137 10.102 2.431 385 2HB ASN 36 1HB ASN 36 -2.048 11.861 2.380 386 1HD2 ASN 36 2HD2 ASN 36 -2.654 9.895 -1.190 387 2HD2 ASN 36 1HD2 ASN 36 -1.747 9.131 0.023 388 QB ASN 36 QB ASN 36 -2.093 10.982 2.406 389 QD2 ASN 36 QD2 ASN 36 -2.200 9.513 -0.583 390 H ASP 37 H ASP 37 -0.238 9.967 4.123 391 HA ASP 37 HA ASP 37 0.377 12.226 5.685 392 1HB ASP 37 2HB ASP 37 -0.303 9.749 6.232 393 2HB ASP 37 1HB ASP 37 1.439 9.500 6.353 394 QB ASP 37 QB ASP 37 0.568 9.625 6.292 395 H ASN 38 H ASN 38 2.495 10.326 3.704 396 HA ASN 38 HA ASN 38 4.877 11.627 4.871 397 1HB ASN 38 2HB ASN 38 4.484 9.060 4.511 398 2HB ASN 38 1HB ASN 38 4.914 9.423 2.841 399 1HD2 ASN 38 2HD2 ASN 38 8.305 10.379 3.709 400 2HD2 ASN 38 1HD2 ASN 38 7.044 10.812 2.657 401 QB ASN 38 QB ASN 38 4.699 9.241 3.676 402 QD2 ASN 38 QD2 ASN 38 7.675 10.596 3.183 403 H GLY 39 H GLY 39 3.107 11.161 1.842 404 1HA GLY 39 2HA GLY 39 3.149 13.221 0.349 405 2HA GLY 39 1HA GLY 39 4.898 13.189 0.558 406 QA GLY 39 QA GLY 39 4.023 13.205 0.454 407 H ILE 40 H ILE 40 2.797 10.376 0.063 408 HA ILE 40 HA ILE 40 4.321 9.772 -2.439 409 HB ILE 40 HB ILE 40 3.135 8.246 -0.163 410 1HG1 ILE 40 2HG1 ILE 40 5.259 6.942 -0.513 411 2HG1 ILE 40 1HG1 ILE 40 5.663 8.096 -1.790 412 1HG2 ILE 40 1HG2 ILE 40 2.053 7.251 -2.211 413 2HG2 ILE 40 3HG2 ILE 40 3.673 6.878 -2.801 414 3HG2 ILE 40 2HG2 ILE 40 3.081 6.144 -1.308 415 1HD1 ILE 40 3HD1 ILE 40 4.817 9.106 0.894 416 2HD1 ILE 40 2HD1 ILE 40 6.479 8.544 0.667 417 3HD1 ILE 40 1HD1 ILE 40 5.849 9.875 -0.317 418 QG1 ILE 40 QG1 ILE 40 5.461 7.519 -1.152 419 QG2 ILE 40 QG2 ILE 40 2.936 6.758 -2.107 420 QD1 ILE 40 QD1 ILE 40 5.715 9.175 0.415 421 H ASP 41 H ASP 41 3.142 10.558 -4.117 422 HA ASP 41 HA ASP 41 0.386 9.554 -4.534 423 1HB ASP 41 2HB ASP 41 0.484 11.729 -3.088 424 2HB ASP 41 1HB ASP 41 0.849 12.528 -4.618 425 QB ASP 41 QB ASP 41 0.666 12.129 -3.853 426 H GLY 42 H GLY 42 0.878 8.676 -6.549 427 1HA GLY 42 2HA GLY 42 1.110 10.435 -8.816 428 2HA GLY 42 1HA GLY 42 2.649 9.637 -8.495 429 QA GLY 42 QA GLY 42 1.879 10.036 -8.656 430 H GLU 43 H GLU 43 1.927 7.106 -7.752 431 HA GLU 43 HA GLU 43 0.160 6.066 -9.941 432 1HB GLU 43 2HB GLU 43 2.644 6.117 -10.502 433 2HB GLU 43 1HB GLU 43 2.884 4.951 -9.198 434 1HG GLU 43 2HG GLU 43 1.790 3.253 -10.331 435 2HG GLU 43 1HG GLU 43 0.783 4.371 -11.252 436 QB GLU 43 QB GLU 43 2.764 5.534 -9.850 437 QG GLU 43 QG GLU 43 1.286 3.812 -10.792 438 H TRP 44 H TRP 44 -0.364 3.696 -9.556 439 HA TRP 44 HA TRP 44 0.016 2.577 -6.848 440 1HB TRP 44 2HB TRP 44 -2.513 3.926 -7.786 441 2HB TRP 44 1HB TRP 44 -2.638 2.491 -6.758 442 HD1 TRP 44 HD TRP 44 -1.850 6.162 -6.619 443 HE1 TRP 44 1HE TRP 44 -1.244 6.791 -4.189 444 HE3 TRP 44 3HE TRP 44 -1.518 1.508 -4.604 445 HZ2 TRP 44 2HZ TRP 44 -0.692 5.471 -1.706 446 HZ3 TRP 44 3HZ TRP 44 -0.959 1.213 -2.196 447 HH2 TRP 44 HH TRP 44 -0.541 3.186 -0.760 448 QB TRP 44 QB TRP 44 -2.576 3.209 -7.272 449 H THR 45 H THR 45 0.207 0.415 -7.226 450 HA THR 45 HA THR 45 -1.647 -0.908 -9.143 451 HB THR 45 HB THR 45 0.117 -1.889 -10.416 452 HG1 THR 45 1HG THR 45 1.894 -2.347 -9.449 453 1HG2 THR 45 1HG2 THR 45 -0.295 0.490 -10.964 454 2HG2 THR 45 3HG2 THR 45 0.980 0.953 -9.835 455 3HG2 THR 45 2HG2 THR 45 1.377 0.023 -11.283 456 QG2 THR 45 QG2 THR 45 0.687 0.488 -10.694 457 H TYR 46 H TYR 46 -2.305 -2.834 -8.300 458 HA TYR 46 HA TYR 46 -0.975 -3.803 -5.821 459 1HB TYR 46 2HB TYR 46 -3.344 -3.458 -5.659 460 2HB TYR 46 1HB TYR 46 -3.641 -4.329 -7.165 461 HD1 TYR 46 1HD TYR 46 -1.708 -5.010 -4.010 462 HD2 TYR 46 2HD TYR 46 -4.611 -6.428 -6.842 463 HE1 TYR 46 1HE TYR 46 -1.868 -7.154 -2.773 464 HE2 TYR 46 2HE TYR 46 -4.773 -8.568 -5.597 465 HH TYR 46 HH TYR 46 -3.295 -9.902 -4.042 466 QB TYR 46 QB TYR 46 -3.493 -3.893 -6.412 467 QG TYR 46 QD TYR 46 -3.159 -5.719 -5.426 468 QZ TYR 46 QE TYR 46 -3.320 -7.861 -4.185 469 QR TYR 46 QR TYR 46 -3.240 -6.790 -4.806 470 H ASP 47 H ASP 47 0.209 -5.666 -5.807 471 HA ASP 47 HA ASP 47 0.395 -7.247 -8.335 472 1HB ASP 47 2HB ASP 47 2.151 -6.961 -5.874 473 2HB ASP 47 1HB ASP 47 2.516 -8.045 -7.217 474 QB ASP 47 QB ASP 47 2.334 -7.503 -6.545 475 H ASP 48 H ASP 48 -1.303 -8.732 -8.150 476 HA ASP 48 HA ASP 48 -2.085 -10.019 -5.685 477 1HB ASP 48 2HB ASP 48 -3.519 -9.628 -7.681 478 2HB ASP 48 1HB ASP 48 -2.558 -10.809 -8.574 479 QB ASP 48 QB ASP 48 -3.038 -10.218 -8.128 480 H ALA 49 H ALA 49 0.695 -10.527 -7.511 481 HA ALA 49 HA ALA 49 0.808 -13.454 -7.212 482 1HB ALA 49 1HB ALA 49 2.270 -11.265 -8.558 483 2HB ALA 49 3HB ALA 49 3.301 -12.567 -7.966 484 3HB ALA 49 2HB ALA 49 1.994 -12.922 -9.095 485 QB ALA 49 QB ALA 49 2.521 -12.252 -8.540 486 H THR 50 H THR 50 1.956 -10.534 -5.627 487 HA THR 50 HA THR 50 3.075 -12.216 -3.425 488 HB THR 50 HB THR 50 5.007 -10.645 -3.365 489 HG1 THR 50 1HG THR 50 5.115 -9.009 -4.733 490 1HG2 THR 50 3HG2 THR 50 4.836 -12.788 -4.831 491 2HG2 THR 50 2HG2 THR 50 4.750 -11.660 -6.182 492 3HG2 THR 50 1HG2 THR 50 6.165 -11.668 -5.129 493 QG2 THR 50 QG2 THR 50 5.251 -12.039 -5.381 494 H LYS 51 H LYS 51 0.649 -10.262 -4.089 495 HA LYS 51 HA LYS 51 -0.577 -8.622 -2.952 496 1HB LYS 51 2HB LYS 51 0.855 -10.276 -0.889 497 2HB LYS 51 1HB LYS 51 -0.259 -8.996 -0.396 498 1HG LYS 51 2HG LYS 51 -1.637 -10.921 -0.571 499 2HG LYS 51 1HG LYS 51 -1.900 -10.035 -2.071 500 1HD LYS 51 2HD LYS 51 -0.977 -11.622 -3.348 501 2HD LYS 51 1HD LYS 51 0.345 -11.909 -2.214 502 1HE LYS 51 2HE LYS 51 -1.417 -13.093 -0.733 503 2HE LYS 51 1HE LYS 51 -2.438 -13.101 -2.185 504 1HZ LYS 51 3HZ LYS 51 0.371 -14.064 -2.125 505 2HZ LYS 51 2HZ LYS 51 -0.979 -15.086 -1.987 506 3HZ LYS 51 1HZ LYS 51 -0.726 -14.196 -3.411 507 QB LYS 51 QB LYS 51 0.298 -9.636 -0.643 508 QG LYS 51 QG LYS 51 -1.768 -10.478 -1.321 509 QD LYS 51 QD LYS 51 -0.316 -11.766 -2.781 510 QE LYS 51 QE LYS 51 -1.927 -13.097 -1.459 511 QZ LYS 51 QZ LYS 51 -0.445 -14.449 -2.508 512 H THR 52 H THR 52 1.826 -7.599 -4.029 513 HA THR 52 HA THR 52 2.690 -5.646 -1.915 514 HB THR 52 HB THR 52 4.208 -6.417 -4.416 515 HG1 THR 52 1HG THR 52 5.305 -7.896 -3.011 516 1HG2 THR 52 3HG2 THR 52 4.829 -5.063 -1.801 517 2HG2 THR 52 2HG2 THR 52 6.110 -5.841 -2.731 518 3HG2 THR 52 1HG2 THR 52 5.183 -4.520 -3.441 519 QG2 THR 52 QG2 THR 52 5.374 -5.141 -2.658 520 H PHE 53 H PHE 53 1.552 -3.771 -2.305 521 HA PHE 53 HA PHE 53 0.540 -3.024 -4.907 522 1HB PHE 53 2HB PHE 53 0.864 -1.630 -2.243 523 2HB PHE 53 1HB PHE 53 0.091 -0.846 -3.623 524 HD1 PHE 53 2HD PHE 53 -0.128 -3.737 -1.280 525 HD2 PHE 53 1HD PHE 53 -2.139 -1.443 -4.316 526 HE1 PHE 53 2HE PHE 53 -2.255 -4.894 -0.747 527 HE2 PHE 53 1HE PHE 53 -4.254 -2.612 -3.782 528 1HZ PHE 53 HZ PHE 53 -4.315 -4.336 -2.003 529 QB PHE 53 QB PHE 53 0.477 -1.238 -2.933 530 QG PHE 53 QD PHE 53 -1.134 -2.590 -2.798 531 QZ PHE 53 QE PHE 53 -3.255 -3.753 -2.265 532 QZ PHE 53 QR PHE 53 -2.618 -3.404 -2.426 533 H THR 54 H THR 54 1.220 -0.443 -5.507 534 HA THR 54 HA THR 54 4.138 -0.072 -5.248 535 HB THR 54 HB THR 54 3.062 -0.174 -8.040 536 HG1 THR 54 1HG THR 54 2.377 -2.141 -7.483 537 1HG2 THR 54 1HG2 THR 54 5.491 0.370 -7.025 538 2HG2 THR 54 3HG2 THR 54 5.648 -1.377 -7.210 539 3HG2 THR 54 2HG2 THR 54 5.268 -0.372 -8.609 540 QG2 THR 54 QG2 THR 54 5.469 -0.460 -7.615 541 H VAL 55 H VAL 55 3.911 2.021 -4.530 542 HA VAL 55 HA VAL 55 2.220 3.828 -6.201 543 HB VAL 55 HB VAL 55 1.319 3.370 -3.971 544 1HG1 VAL 55 2HG1 VAL 55 4.054 4.322 -3.071 545 2HG1 VAL 55 1HG1 VAL 55 2.659 4.195 -1.986 546 3HG1 VAL 55 3HG1 VAL 55 3.293 2.747 -2.777 547 1HG2 VAL 55 2HG2 VAL 55 2.522 6.141 -4.240 548 2HG2 VAL 55 1HG2 VAL 55 0.957 5.616 -4.856 549 3HG2 VAL 55 3HG2 VAL 55 1.231 5.709 -3.118 550 QG1 VAL 55 QG1 VAL 55 3.335 3.755 -2.611 551 QG2 VAL 55 QG2 VAL 55 1.570 5.822 -4.071 552 QQG VAL 55 QQG VAL 55 2.452 4.788 -3.341 553 H THR 56 H THR 56 3.051 5.810 -6.780 554 HA THR 56 HA THR 56 5.779 6.536 -5.828 555 HB THR 56 HB THR 56 5.741 5.085 -7.933 556 HG1 THR 56 1HG THR 56 7.276 6.488 -8.965 557 1HG2 THR 56 1HG2 THR 56 3.811 6.889 -8.778 558 2HG2 THR 56 3HG2 THR 56 5.251 7.355 -9.685 559 3HG2 THR 56 2HG2 THR 56 4.645 5.699 -9.782 560 QG2 THR 56 QG2 THR 56 4.569 6.647 -9.415 561 H GLU 57 H GLU 57 6.180 8.731 -7.465 562 HA GLU 57 HA GLU 57 3.750 10.436 -7.043 563 1HB GLU 57 2HB GLU 57 5.391 10.602 -5.165 564 2HB GLU 57 1HB GLU 57 6.627 11.100 -6.320 565 1HG GLU 57 2HG GLU 57 5.284 13.066 -6.937 566 2HG GLU 57 1HG GLU 57 4.020 12.564 -5.812 567 QB GLU 57 QB GLU 57 6.009 10.851 -5.743 568 QG GLU 57 QG GLU 57 4.652 12.815 -6.374 No H/Q in entry = 568 Start of MODEL 38 1 1H MET 1 1HT MET 1 -3.937 -14.594 7.576 2 2H MET 1 3HT MET 1 -3.049 -15.773 6.741 3 3H MET 1 2HT MET 1 -2.928 -15.660 8.431 4 HA MET 1 HA MET 1 -1.834 -13.529 8.274 5 1HB MET 1 2HB MET 1 -0.934 -16.005 6.894 6 2HB MET 1 1HB MET 1 0.058 -14.569 6.642 7 1HG MET 1 2HG MET 1 -0.824 -15.347 9.414 8 2HG MET 1 1HG MET 1 0.595 -16.096 8.682 9 1HE MET 1 2HE MET 1 -0.623 -13.951 10.900 10 2HE MET 1 1HE MET 1 0.467 -12.586 11.131 11 3HE MET 1 3HE MET 1 -0.870 -12.470 9.978 12 QB MET 1 QB MET 1 -0.438 -15.287 6.768 13 QG MET 1 QG MET 1 -0.114 -15.722 9.048 14 QE MET 1 QE MET 1 -0.342 -13.002 10.670 15 H THR 2 H THR 2 -2.684 -11.743 7.188 16 HA THR 2 HA THR 2 -2.533 -11.760 4.190 17 HB THR 2 HB THR 2 -4.287 -10.147 6.070 18 HG1 THR 2 1HG THR 2 -4.884 -12.382 4.430 19 1HG2 THR 2 2HG2 THR 2 -3.872 -10.216 3.122 20 2HG2 THR 2 1HG2 THR 2 -5.532 -10.056 3.696 21 3HG2 THR 2 3HG2 THR 2 -4.319 -8.864 4.164 22 QG2 THR 2 QG2 THR 2 -4.575 -9.712 3.661 23 H THR 3 H THR 3 -0.223 -11.148 5.740 24 HA THR 3 HA THR 3 0.091 -8.328 6.259 25 HB THR 3 HB THR 3 2.130 -10.467 5.562 26 HG1 THR 3 1HG THR 3 1.579 -11.248 7.410 27 1HG2 THR 3 1HG2 THR 3 2.316 -7.648 6.410 28 2HG2 THR 3 3HG2 THR 3 3.284 -8.763 7.375 29 3HG2 THR 3 2HG2 THR 3 3.521 -8.675 5.630 30 QG2 THR 3 QG2 THR 3 3.041 -8.362 6.472 31 H PHE 4 H PHE 4 -0.658 -7.168 4.398 32 HA PHE 4 HA PHE 4 0.376 -7.726 1.725 33 1HB PHE 4 2HB PHE 4 -1.377 -5.717 3.087 34 2HB PHE 4 1HB PHE 4 -0.708 -5.291 1.510 35 HD1 PHE 4 1HD PHE 4 -0.881 -7.131 -0.343 36 HD2 PHE 4 2HD PHE 4 -3.343 -6.998 3.172 37 HE1 PHE 4 1HE PHE 4 -2.558 -8.563 -1.467 38 HE2 PHE 4 2HE PHE 4 -5.026 -8.429 2.042 39 1HZ PHE 4 HZ PHE 4 -4.633 -9.212 -0.276 40 QB PHE 4 QB PHE 4 -1.042 -5.504 2.298 41 QG PHE 4 QD PHE 4 -2.112 -7.065 1.414 42 QZ PHE 4 QE PHE 4 -3.792 -8.496 0.287 43 QZ PHE 4 QR PHE 4 -3.288 -8.067 0.625 44 H LYS 5 H LYS 5 1.745 -6.185 0.523 45 HA LYS 5 HA LYS 5 3.633 -4.692 2.319 46 1HB LYS 5 2HB LYS 5 4.019 -6.381 -0.164 47 2HB LYS 5 1HB LYS 5 5.279 -5.310 0.446 48 1HG LYS 5 2HG LYS 5 5.324 -6.477 2.570 49 2HG LYS 5 1HG LYS 5 3.939 -7.462 2.104 50 1HD LYS 5 2HD LYS 5 6.312 -7.491 0.295 51 2HD LYS 5 1HD LYS 5 6.449 -8.350 1.830 52 1HE LYS 5 2HE LYS 5 4.224 -9.479 1.249 53 2HE LYS 5 1HE LYS 5 4.442 -8.827 -0.388 54 1HZ LYS 5 3HZ LYS 5 6.454 -10.442 1.088 55 2HZ LYS 5 2HZ LYS 5 5.447 -11.038 -0.145 56 3HZ LYS 5 1HZ LYS 5 6.612 -9.851 -0.493 57 QB LYS 5 QB LYS 5 4.649 -5.846 0.141 58 QG LYS 5 QG LYS 5 4.631 -6.970 2.337 59 QD LYS 5 QD LYS 5 6.380 -7.921 1.063 60 QE LYS 5 QE LYS 5 4.333 -9.153 0.430 61 QZ LYS 5 QZ LYS 5 6.171 -10.444 0.150 62 H LEU 6 H LEU 6 5.058 -3.233 0.578 63 HA LEU 6 HA LEU 6 3.443 -1.991 -1.524 64 1HB LEU 6 2HB LEU 6 2.378 -1.102 0.506 65 2HB LEU 6 1HB LEU 6 3.946 -0.582 1.122 66 HG LEU 6 HG LEU 6 4.150 0.838 -1.001 67 1HD1 LEU 6 2HD1 LEU 6 1.226 0.063 -1.137 68 2HD1 LEU 6 1HD1 LEU 6 1.905 1.446 -1.994 69 3HD1 LEU 6 3HD1 LEU 6 2.457 -0.185 -2.375 70 1HD2 LEU 6 3HD2 LEU 6 3.297 1.499 1.420 71 2HD2 LEU 6 2HD2 LEU 6 3.190 2.649 0.089 72 3HD2 LEU 6 1HD2 LEU 6 1.765 1.731 0.577 73 QB LEU 6 QB LEU 6 3.162 -0.842 0.814 74 QD1 LEU 6 QD1 LEU 6 1.863 0.441 -1.835 75 QD2 LEU 6 QD2 LEU 6 2.750 1.960 0.695 76 QQD LEU 6 QQD LEU 6 2.307 1.201 -0.570 77 H ILE 7 H ILE 7 5.205 -1.978 -2.938 78 HA ILE 7 HA ILE 7 7.860 -1.061 -2.020 79 HB ILE 7 HB ILE 7 6.771 -1.897 -4.733 80 1HG1 ILE 7 2HG1 ILE 7 6.693 -3.707 -3.048 81 2HG1 ILE 7 1HG1 ILE 7 7.919 -4.038 -4.269 82 1HG2 ILE 7 3HG2 ILE 7 9.422 -0.943 -3.779 83 2HG2 ILE 7 2HG2 ILE 7 9.440 -2.342 -4.857 84 3HG2 ILE 7 1HG2 ILE 7 8.693 -0.833 -5.384 85 1HD1 ILE 7 3HD1 ILE 7 9.609 -2.974 -2.675 86 2HD1 ILE 7 2HD1 ILE 7 8.343 -3.021 -1.449 87 3HD1 ILE 7 1HD1 ILE 7 8.940 -4.522 -2.156 88 QG1 ILE 7 QG1 ILE 7 7.306 -3.873 -3.659 89 QG2 ILE 7 QG2 ILE 7 9.185 -1.373 -4.673 90 QD1 ILE 7 QD1 ILE 7 8.964 -3.506 -2.093 91 H ILE 8 H ILE 8 8.408 1.084 -2.135 92 HA ILE 8 HA ILE 8 6.565 2.888 -3.600 93 HB ILE 8 HB ILE 8 8.846 3.726 -1.816 94 1HG1 ILE 8 2HG1 ILE 8 7.474 1.990 -0.616 95 2HG1 ILE 8 1HG1 ILE 8 7.383 3.575 0.125 96 1HG2 ILE 8 1HG2 ILE 8 6.274 4.888 -2.842 97 2HG2 ILE 8 3HG2 ILE 8 6.945 5.481 -1.323 98 3HG2 ILE 8 2HG2 ILE 8 7.891 5.603 -2.805 99 1HD1 ILE 8 1HD1 ILE 8 5.333 2.519 -1.819 100 2HD1 ILE 8 3HD1 ILE 8 5.170 2.411 -0.067 101 3HD1 ILE 8 2HD1 ILE 8 5.225 3.994 -0.847 102 QG1 ILE 8 QG1 ILE 8 7.429 2.782 -0.246 103 QG2 ILE 8 QG2 ILE 8 7.037 5.324 -2.323 104 QD1 ILE 8 QD1 ILE 8 5.242 2.975 -0.911 105 H ASN 9 H ASN 9 7.181 3.398 -5.677 106 HA ASN 9 HA ASN 9 9.986 3.165 -6.544 107 1HB ASN 9 2HB ASN 9 7.813 4.471 -8.172 108 2HB ASN 9 1HB ASN 9 9.125 3.443 -8.717 109 1HD2 ASN 9 2HD2 ASN 9 5.655 1.716 -8.497 110 2HD2 ASN 9 1HD2 ASN 9 6.003 3.320 -8.930 111 QB ASN 9 QB ASN 9 8.469 3.957 -8.444 112 QD2 ASN 9 QD2 ASN 9 5.829 2.518 -8.713 113 H GLY 10 H GLY 10 10.056 5.411 -8.324 114 1HA GLY 10 2HA GLY 10 10.827 7.631 -8.313 115 2HA GLY 10 1HA GLY 10 9.425 7.933 -7.288 116 QA GLY 10 QA GLY 10 10.126 7.782 -7.800 117 H LYS 11 H LYS 11 10.632 9.490 -6.059 118 HA LYS 11 HA LYS 11 12.855 8.384 -4.391 119 1HB LYS 11 2HB LYS 11 13.400 10.788 -4.061 120 2HB LYS 11 1HB LYS 11 13.354 10.354 -5.768 121 1HG LYS 11 2HG LYS 11 11.512 11.639 -6.182 122 2HG LYS 11 1HG LYS 11 10.774 11.269 -4.625 123 1HD LYS 11 2HD LYS 11 11.380 13.621 -4.649 124 2HD LYS 11 1HD LYS 11 12.454 12.777 -3.533 125 1HE LYS 11 2HE LYS 11 14.291 12.910 -4.994 126 2HE LYS 11 1HE LYS 11 13.259 13.143 -6.420 127 1HZ LYS 11 2HZ LYS 11 13.363 15.056 -4.153 128 2HZ LYS 11 1HZ LYS 11 14.321 15.222 -5.547 129 3HZ LYS 11 3HZ LYS 11 12.630 15.285 -5.668 130 QB LYS 11 QB LYS 11 13.377 10.571 -4.914 131 QG LYS 11 QG LYS 11 11.143 11.454 -5.404 132 QD LYS 11 QD LYS 11 11.917 13.199 -4.091 133 QE LYS 11 QE LYS 11 13.775 13.027 -5.707 134 QZ LYS 11 QZ LYS 11 13.438 15.187 -5.123 135 H THR 12 H THR 12 9.561 9.494 -4.247 136 HA THR 12 HA THR 12 9.367 10.443 -1.572 137 HB THR 12 HB THR 12 7.230 8.727 -2.786 138 HG1 THR 12 1HG THR 12 8.066 11.252 -3.772 139 1HG2 THR 12 2HG2 THR 12 7.092 10.194 -0.648 140 2HG2 THR 12 1HG2 THR 12 7.021 11.552 -1.770 141 3HG2 THR 12 3HG2 THR 12 5.778 10.302 -1.819 142 QG2 THR 12 QG2 THR 12 6.630 10.683 -1.412 143 H LEU 13 H LEU 13 10.630 9.215 -0.147 144 HA LEU 13 HA LEU 13 11.119 7.458 1.324 145 1HB LEU 13 2HB LEU 13 9.175 7.024 2.435 146 2HB LEU 13 1HB LEU 13 8.340 7.878 1.148 147 HG LEU 13 HG LEU 13 8.414 5.555 -0.058 148 1HD1 LEU 13 3HD1 LEU 13 9.530 4.939 2.533 149 2HD1 LEU 13 2HD1 LEU 13 7.991 4.095 2.363 150 3HD1 LEU 13 1HD1 LEU 13 9.266 3.853 1.170 151 1HD2 LEU 13 1HD2 LEU 13 6.472 6.937 1.179 152 2HD2 LEU 13 3HD2 LEU 13 6.191 5.325 0.510 153 3HD2 LEU 13 2HD2 LEU 13 6.511 5.528 2.237 154 QB LEU 13 QB LEU 13 8.757 7.451 1.792 155 QD1 LEU 13 QD1 LEU 13 8.929 4.296 2.022 156 QD2 LEU 13 QD2 LEU 13 6.391 5.930 1.308 157 QQD LEU 13 QQD LEU 13 7.660 5.113 1.665 158 H LYS 14 H LYS 14 11.219 4.914 1.349 159 HA LYS 14 HA LYS 14 10.935 3.585 -1.213 160 1HB LYS 14 2HB LYS 14 13.391 3.217 -1.480 161 2HB LYS 14 1HB LYS 14 12.950 4.918 -1.594 162 1HG LYS 14 2HG LYS 14 14.403 5.371 0.064 163 2HG LYS 14 1HG LYS 14 13.410 4.412 1.159 164 1HD LYS 14 2HD LYS 14 15.615 3.470 1.239 165 2HD LYS 14 1HD LYS 14 14.631 2.360 0.285 166 1HE LYS 14 2HE LYS 14 15.611 3.048 -1.752 167 2HE LYS 14 1HE LYS 14 16.218 4.560 -1.050 168 1HZ LYS 14 1HZ LYS 14 17.054 1.863 -0.132 169 2HZ LYS 14 3HZ LYS 14 17.930 2.778 -1.259 170 3HZ LYS 14 2HZ LYS 14 17.721 3.357 0.325 171 QB LYS 14 QB LYS 14 13.170 4.067 -1.537 172 QG LYS 14 QG LYS 14 13.907 4.892 0.612 173 QD LYS 14 QD LYS 14 15.123 2.915 0.762 174 QE LYS 14 QE LYS 14 15.914 3.804 -1.401 175 QZ LYS 14 QZ LYS 14 17.568 2.666 -0.355 176 H GLY 15 H GLY 15 9.989 1.766 -0.332 177 1HA GLY 15 2HA GLY 15 11.561 -0.169 1.048 178 2HA GLY 15 1HA GLY 15 10.597 0.693 2.245 179 QA GLY 15 QA GLY 15 11.079 0.262 1.647 180 H GLU 16 H GLU 16 9.668 -1.538 2.511 181 HA GLU 16 HA GLU 16 7.610 -2.192 0.430 182 1HB GLU 16 2HB GLU 16 9.538 -3.759 1.273 183 2HB GLU 16 1HB GLU 16 8.506 -3.972 2.687 184 1HG GLU 16 2HG GLU 16 6.935 -5.161 1.532 185 2HG GLU 16 1HG GLU 16 7.157 -4.222 0.056 186 QB GLU 16 QB GLU 16 9.022 -3.865 1.980 187 QG GLU 16 QG GLU 16 7.046 -4.692 0.794 188 H ILE 17 H ILE 17 8.126 -1.778 3.938 189 HA ILE 17 HA ILE 17 6.592 -1.392 5.695 190 HB ILE 17 HB ILE 17 5.010 -0.307 3.338 191 1HG1 ILE 17 2HG1 ILE 17 7.263 0.668 3.468 192 2HG1 ILE 17 1HG1 ILE 17 6.055 1.860 3.942 193 1HG2 ILE 17 3HG2 ILE 17 4.063 -0.663 5.857 194 2HG2 ILE 17 2HG2 ILE 17 4.805 0.927 6.027 195 3HG2 ILE 17 1HG2 ILE 17 3.560 0.662 4.808 196 1HD1 ILE 17 1HD1 ILE 17 6.555 0.874 6.370 197 2HD1 ILE 17 3HD1 ILE 17 8.093 0.449 5.619 198 3HD1 ILE 17 2HD1 ILE 17 7.571 2.132 5.671 199 QG1 ILE 17 QG1 ILE 17 6.659 1.264 3.705 200 QG2 ILE 17 QG2 ILE 17 4.142 0.308 5.564 201 QD1 ILE 17 QD1 ILE 17 7.406 1.152 5.886 202 H THR 18 H THR 18 6.354 -3.834 5.731 203 HA THR 18 HA THR 18 4.049 -5.079 4.450 204 HB THR 18 HB THR 18 4.758 -7.003 5.837 205 HG1 THR 18 1HG THR 18 5.261 -5.936 7.729 206 1HG2 THR 18 1HG2 THR 18 6.538 -5.468 4.103 207 2HG2 THR 18 3HG2 THR 18 7.430 -6.454 5.263 208 3HG2 THR 18 2HG2 THR 18 6.268 -7.209 4.173 209 QG2 THR 18 QG2 THR 18 6.745 -6.377 4.513 210 H ILE 19 H ILE 19 1.965 -5.075 5.222 211 HA ILE 19 HA ILE 19 1.516 -4.622 8.141 212 HB ILE 19 HB ILE 19 -0.191 -2.915 7.579 213 1HG1 ILE 19 2HG1 ILE 19 0.309 -2.087 5.025 214 2HG1 ILE 19 1HG1 ILE 19 0.470 -3.833 4.838 215 1HG2 ILE 19 1HG2 ILE 19 2.386 -2.479 7.853 216 2HG2 ILE 19 3HG2 ILE 19 2.309 -2.086 6.136 217 3HG2 ILE 19 2HG2 ILE 19 1.338 -1.177 7.294 218 1HD1 ILE 19 1HD1 ILE 19 -1.749 -4.085 6.007 219 2HD1 ILE 19 3HD1 ILE 19 -1.916 -2.329 5.951 220 3HD1 ILE 19 2HD1 ILE 19 -1.847 -3.257 4.452 221 QG1 ILE 19 QG1 ILE 19 0.389 -2.960 4.931 222 QG2 ILE 19 QG2 ILE 19 2.011 -1.914 7.095 223 QD1 ILE 19 QD1 ILE 19 -1.838 -3.224 5.470 224 H GLU 20 H GLU 20 -0.315 -5.658 8.951 225 HA GLU 20 HA GLU 20 -1.511 -7.753 7.272 226 1HB GLU 20 2HB GLU 20 -0.750 -7.757 9.782 227 2HB GLU 20 1HB GLU 20 -2.323 -7.014 10.077 228 1HG GLU 20 2HG GLU 20 -3.135 -9.020 8.501 229 2HG GLU 20 1HG GLU 20 -1.675 -9.774 9.142 230 QB GLU 20 QB GLU 20 -1.537 -7.385 9.929 231 QG GLU 20 QG GLU 20 -2.405 -9.397 8.822 232 H ALA 21 H ALA 21 -3.756 -7.882 6.762 233 HA ALA 21 HA ALA 21 -5.618 -5.759 7.553 234 1HB ALA 21 2HB ALA 21 -3.934 -5.035 5.624 235 2HB ALA 21 1HB ALA 21 -5.060 -5.939 4.614 236 3HB ALA 21 3HB ALA 21 -5.632 -4.564 5.558 237 QB ALA 21 QB ALA 21 -4.875 -5.179 5.266 238 H VAL 22 H VAL 22 -7.790 -6.270 6.898 239 HA VAL 22 HA VAL 22 -8.565 -8.959 6.786 240 HB VAL 22 HB VAL 22 -10.018 -7.046 7.337 241 1HG1 VAL 22 1HG1 VAL 22 -8.981 -5.648 5.405 242 2HG1 VAL 22 3HG1 VAL 22 -10.201 -6.420 4.391 243 3HG1 VAL 22 2HG1 VAL 22 -10.695 -5.426 5.762 244 1HG2 VAL 22 3HG2 VAL 22 -10.799 -9.309 6.085 245 2HG2 VAL 22 2HG2 VAL 22 -11.937 -8.059 6.587 246 3HG2 VAL 22 1HG2 VAL 22 -11.375 -8.120 4.916 247 QG1 VAL 22 QG1 VAL 22 -9.959 -5.831 5.186 248 QG2 VAL 22 QG2 VAL 22 -11.370 -8.496 5.862 249 QQG VAL 22 QQG VAL 22 -10.665 -7.164 5.524 250 H ASP 23 H ASP 23 -7.917 -6.728 4.105 251 HA ASP 23 HA ASP 23 -7.413 -8.972 2.269 252 1HB ASP 23 2HB ASP 23 -9.886 -7.296 2.292 253 2HB ASP 23 1HB ASP 23 -9.190 -7.678 0.717 254 QB ASP 23 QB ASP 23 -9.538 -7.487 1.504 255 H ALA 24 H ALA 24 -6.867 -7.949 0.006 256 HA ALA 24 HA ALA 24 -4.797 -6.008 0.326 257 1HB ALA 24 1HB ALA 24 -5.437 -7.757 -1.569 258 2HB ALA 24 3HB ALA 24 -6.256 -6.361 -2.273 259 3HB ALA 24 2HB ALA 24 -4.519 -6.302 -1.966 260 QB ALA 24 QB ALA 24 -5.404 -6.807 -1.936 261 H ALA 25 H ALA 25 -8.233 -5.690 -0.392 262 HA ALA 25 HA ALA 25 -8.346 -3.042 -1.367 263 1HB ALA 25 1HB ALA 25 -10.214 -4.672 -1.288 264 2HB ALA 25 3HB ALA 25 -10.258 -4.521 0.468 265 3HB ALA 25 2HB ALA 25 -10.675 -3.139 -0.545 266 QB ALA 25 QB ALA 25 -10.382 -4.111 -0.455 267 H GLU 26 H GLU 26 -8.347 -4.261 1.977 268 HA GLU 26 HA GLU 26 -8.515 -1.631 3.213 269 1HB GLU 26 2HB GLU 26 -8.716 -4.339 3.945 270 2HB GLU 26 1HB GLU 26 -7.290 -3.760 4.804 271 1HG GLU 26 2HG GLU 26 -9.594 -1.910 4.873 272 2HG GLU 26 1HG GLU 26 -9.864 -3.446 5.695 273 QB GLU 26 QB GLU 26 -8.003 -4.049 4.374 274 QG GLU 26 QG GLU 26 -9.729 -2.678 5.284 275 H ALA 27 H ALA 27 -5.890 -3.967 2.575 276 HA ALA 27 HA ALA 27 -3.705 -2.561 3.716 277 1HB ALA 27 2HB ALA 27 -4.166 -4.583 1.583 278 2HB ALA 27 1HB ALA 27 -2.613 -3.743 1.520 279 3HB ALA 27 3HB ALA 27 -3.073 -4.645 2.968 280 QB ALA 27 QB ALA 27 -3.284 -4.324 2.024 281 H GLU 28 H GLU 28 -5.112 -2.325 0.437 282 HA GLU 28 HA GLU 28 -3.312 -0.385 -0.631 283 1HB GLU 28 2HB GLU 28 -5.206 -1.823 -1.711 284 2HB GLU 28 1HB GLU 28 -6.265 -0.493 -1.249 285 1HG GLU 28 2HG GLU 28 -4.716 1.078 -2.459 286 2HG GLU 28 1HG GLU 28 -3.821 -0.325 -3.049 287 QB GLU 28 QB GLU 28 -5.736 -1.158 -1.480 288 QG GLU 28 QG GLU 28 -4.268 0.376 -2.754 289 H LYS 29 H LYS 29 -6.280 -0.049 1.315 290 HA LYS 29 HA LYS 29 -6.422 2.839 1.188 291 1HB LYS 29 2HB LYS 29 -7.480 0.677 3.012 292 2HB LYS 29 1HB LYS 29 -7.798 2.379 3.338 293 1HG LYS 29 2HG LYS 29 -8.302 1.670 0.539 294 2HG LYS 29 1HG LYS 29 -9.292 0.735 1.658 295 1HD LYS 29 2HD LYS 29 -10.540 2.716 1.184 296 2HD LYS 29 1HD LYS 29 -9.865 2.946 2.797 297 1HE LYS 29 2HE LYS 29 -7.888 4.120 1.605 298 2HE LYS 29 1HE LYS 29 -8.967 4.200 0.197 299 1HZ LYS 29 2HZ LYS 29 -10.675 5.168 1.651 300 2HZ LYS 29 1HZ LYS 29 -9.563 5.192 2.935 301 3HZ LYS 29 3HZ LYS 29 -9.290 6.147 1.561 302 QB LYS 29 QB LYS 29 -7.639 1.528 3.175 303 QG LYS 29 QG LYS 29 -8.797 1.202 1.098 304 QD LYS 29 QD LYS 29 -10.202 2.831 1.991 305 QE LYS 29 QE LYS 29 -8.428 4.160 0.901 306 QZ LYS 29 QZ LYS 29 -9.843 5.503 2.049 307 H ILE 30 H ILE 30 -5.195 0.595 3.692 308 HA ILE 30 HA ILE 30 -4.120 2.537 5.483 309 HB ILE 30 HB ILE 30 -3.235 -0.297 4.800 310 1HG1 ILE 30 2HG1 ILE 30 -4.964 0.636 7.102 311 2HG1 ILE 30 1HG1 ILE 30 -5.650 0.131 5.560 312 1HG2 ILE 30 2HG2 ILE 30 -1.575 1.143 6.109 313 2HG2 ILE 30 1HG2 ILE 30 -2.785 1.211 7.389 314 3HG2 ILE 30 3HG2 ILE 30 -2.096 -0.340 6.909 315 1HD1 ILE 30 3HD1 ILE 30 -3.833 -1.900 6.176 316 2HD1 ILE 30 2HD1 ILE 30 -4.572 -1.501 7.728 317 3HD1 ILE 30 1HD1 ILE 30 -5.586 -1.979 6.367 318 QG1 ILE 30 QG1 ILE 30 -5.307 0.384 6.331 319 QG2 ILE 30 QG2 ILE 30 -2.152 0.672 6.802 320 QD1 ILE 30 QD1 ILE 30 -4.664 -1.794 6.757 321 H PHE 31 H PHE 31 -2.789 0.978 2.599 322 HA PHE 31 HA PHE 31 -0.140 2.176 2.829 323 1HB PHE 31 2HB PHE 31 -1.741 0.619 0.811 324 2HB PHE 31 1HB PHE 31 -0.245 1.397 0.296 325 HD1 PHE 31 1HD PHE 31 1.562 1.137 2.517 326 HD2 PHE 31 2HD PHE 31 -1.375 -1.658 1.100 327 HE1 PHE 31 1HE PHE 31 2.874 -0.728 3.489 328 HE2 PHE 31 2HE PHE 31 -0.062 -3.523 2.076 329 1HZ PHE 31 HZ PHE 31 2.061 -3.061 3.269 330 QB PHE 31 QB PHE 31 -0.993 1.008 0.553 331 QG PHE 31 QD PHE 31 0.094 -0.261 1.809 332 QZ PHE 31 QE PHE 31 1.406 -2.125 2.783 333 QZ PHE 31 QR PHE 31 1.012 -1.567 2.490 334 H LYS 32 H LYS 32 -3.171 2.919 1.174 335 HA LYS 32 HA LYS 32 -2.124 5.173 -0.307 336 1HB LYS 32 2HB LYS 32 -4.826 3.983 0.244 337 2HB LYS 32 1HB LYS 32 -4.674 5.506 -0.626 338 1HG LYS 32 2HG LYS 32 -2.862 3.367 -1.570 339 2HG LYS 32 1HG LYS 32 -4.578 3.048 -1.826 340 1HD LYS 32 2HD LYS 32 -3.175 5.607 -2.650 341 2HD LYS 32 1HD LYS 32 -3.525 4.264 -3.740 342 1HE LYS 32 2HE LYS 32 -5.700 4.886 -3.958 343 2HE LYS 32 1HE LYS 32 -5.886 5.119 -2.208 344 1HZ LYS 32 2HZ LYS 32 -4.617 7.186 -2.405 345 2HZ LYS 32 1HZ LYS 32 -4.532 6.983 -4.090 346 3HZ LYS 32 3HZ LYS 32 -6.033 7.239 -3.342 347 QB LYS 32 QB LYS 32 -4.750 4.744 -0.191 348 QG LYS 32 QG LYS 32 -3.720 3.208 -1.698 349 QD LYS 32 QD LYS 32 -3.350 4.935 -3.195 350 QE LYS 32 QE LYS 32 -5.793 5.003 -3.083 351 QZ LYS 32 QZ LYS 32 -5.061 7.136 -3.279 352 H GLN 33 H GLN 33 -2.606 4.852 2.960 353 HA GLN 33 HA GLN 33 -3.589 7.685 3.300 354 1HB GLN 33 2HB GLN 33 -4.845 5.902 4.498 355 2HB GLN 33 1HB GLN 33 -3.340 5.316 5.209 356 1HG GLN 33 2HG GLN 33 -3.048 7.349 6.463 357 2HG GLN 33 1HG GLN 33 -4.372 8.135 5.602 358 1HE2 GLN 33 2HE2 GLN 33 -6.808 6.902 7.817 359 2HE2 GLN 33 1HE2 GLN 33 -6.394 8.012 6.602 360 QB GLN 33 QB GLN 33 -4.093 5.609 4.854 361 QG GLN 33 QG GLN 33 -3.710 7.742 6.033 362 QE2 GLN 33 QE2 GLN 33 -6.601 7.457 7.209 363 H TYR 34 H TYR 34 -1.309 5.234 4.282 364 HA TYR 34 HA TYR 34 0.665 6.649 5.707 365 1HB TYR 34 2HB TYR 34 0.636 4.282 5.566 366 2HB TYR 34 1HB TYR 34 0.441 4.309 3.810 367 HD1 TYR 34 2HD TYR 34 2.865 5.183 6.552 368 HD2 TYR 34 1HD TYR 34 2.367 4.042 2.440 369 HE1 TYR 34 2HE TYR 34 5.321 4.946 6.319 370 HE2 TYR 34 1HE TYR 34 4.824 3.806 2.209 371 HH TYR 34 HH TYR 34 7.012 4.944 4.612 372 QB TYR 34 QB TYR 34 0.539 4.295 4.688 373 QG TYR 34 QD TYR 34 2.616 4.612 4.496 374 QZ TYR 34 QE TYR 34 5.073 4.376 4.264 375 QR TYR 34 QR TYR 34 3.844 4.494 4.380 376 H ALA 35 H ALA 35 -0.019 6.444 2.251 377 HA ALA 35 HA ALA 35 2.398 7.633 1.200 378 1HB ALA 35 1HB ALA 35 -0.312 6.844 0.328 379 2HB ALA 35 3HB ALA 35 0.336 8.236 -0.550 380 3HB ALA 35 2HB ALA 35 1.225 6.707 -0.529 381 QB ALA 35 QB ALA 35 0.416 7.262 -0.251 382 H ASN 36 H ASN 36 -0.898 8.997 1.388 383 HA ASN 36 HA ASN 36 -0.273 11.718 0.958 384 1HB ASN 36 2HB ASN 36 -2.440 10.328 2.552 385 2HB ASN 36 1HB ASN 36 -2.482 12.049 2.161 386 1HD2 ASN 36 2HD2 ASN 36 -3.341 9.305 -0.729 387 2HD2 ASN 36 1HD2 ASN 36 -2.823 8.809 0.809 388 QB ASN 36 QB ASN 36 -2.461 11.189 2.357 389 QD2 ASN 36 QD2 ASN 36 -3.082 9.057 0.040 390 H ASP 37 H ASP 37 -0.426 9.892 4.009 391 HA ASP 37 HA ASP 37 -0.178 11.917 5.917 392 1HB ASP 37 2HB ASP 37 -0.396 9.429 6.251 393 2HB ASP 37 1HB ASP 37 1.327 9.289 5.899 394 QB ASP 37 QB ASP 37 0.465 9.359 6.075 395 H ASN 38 H ASN 38 2.241 10.768 3.702 396 HA ASN 38 HA ASN 38 4.292 12.500 4.949 397 1HB ASN 38 2HB ASN 38 4.540 9.954 4.429 398 2HB ASN 38 1HB ASN 38 4.748 10.487 2.761 399 1HD2 ASN 38 2HD2 ASN 38 8.178 10.915 3.478 400 2HD2 ASN 38 1HD2 ASN 38 7.009 10.135 2.526 401 QB ASN 38 QB ASN 38 4.644 10.220 3.595 402 QD2 ASN 38 QD2 ASN 38 7.594 10.525 3.002 403 H GLY 39 H GLY 39 3.028 11.565 1.750 404 1HA GLY 39 2HA GLY 39 2.338 13.748 0.450 405 2HA GLY 39 1HA GLY 39 4.065 14.096 0.588 406 QA GLY 39 QA GLY 39 3.202 13.922 0.519 407 H ILE 40 H ILE 40 1.968 11.338 -0.298 408 HA ILE 40 HA ILE 40 3.924 10.646 -2.468 409 HB ILE 40 HB ILE 40 2.054 9.124 -0.683 410 1HG1 ILE 40 2HG1 ILE 40 4.584 10.152 -0.174 411 2HG1 ILE 40 1HG1 ILE 40 3.783 8.904 0.756 412 1HG2 ILE 40 3HG2 ILE 40 2.196 8.073 -2.925 413 2HG2 ILE 40 2HG2 ILE 40 3.944 7.950 -2.723 414 3HG2 ILE 40 1HG2 ILE 40 2.865 7.060 -1.644 415 1HD1 ILE 40 3HD1 ILE 40 5.420 8.234 -1.677 416 2HD1 ILE 40 2HD1 ILE 40 6.165 8.430 -0.086 417 3HD1 ILE 40 1HD1 ILE 40 4.942 7.180 -0.342 418 QG1 ILE 40 QG1 ILE 40 4.183 9.528 0.291 419 QG2 ILE 40 QG2 ILE 40 3.002 7.694 -2.431 420 QD1 ILE 40 QD1 ILE 40 5.509 7.948 -0.702 421 H ASP 41 H ASP 41 3.064 10.704 -4.538 422 HA ASP 41 HA ASP 41 0.307 9.996 -5.137 423 1HB ASP 41 2HB ASP 41 0.177 12.281 -4.035 424 2HB ASP 41 1HB ASP 41 1.073 12.915 -5.416 425 QB ASP 41 QB ASP 41 0.625 12.598 -4.726 426 H GLY 42 H GLY 42 1.119 8.760 -6.851 427 1HA GLY 42 2HA GLY 42 1.812 10.190 -9.291 428 2HA GLY 42 1HA GLY 42 3.156 9.248 -8.643 429 QA GLY 42 QA GLY 42 2.484 9.719 -8.967 430 H GLU 43 H GLU 43 2.195 6.935 -7.829 431 HA GLU 43 HA GLU 43 0.379 5.844 -9.940 432 1HB GLU 43 2HB GLU 43 3.141 4.828 -9.164 433 2HB GLU 43 1HB GLU 43 2.033 3.995 -10.256 434 1HG GLU 43 2HG GLU 43 3.106 6.797 -10.706 435 2HG GLU 43 1HG GLU 43 3.719 5.343 -11.490 436 QB GLU 43 QB GLU 43 2.587 4.411 -9.710 437 QG GLU 43 QG GLU 43 3.413 6.070 -11.098 438 H TRP 44 H TRP 44 -0.250 3.547 -9.383 439 HA TRP 44 HA TRP 44 0.088 2.564 -6.638 440 1HB TRP 44 2HB TRP 44 -2.356 4.069 -7.556 441 2HB TRP 44 1HB TRP 44 -2.568 2.677 -6.485 442 HD1 TRP 44 HD TRP 44 -1.613 6.285 -6.427 443 HE1 TRP 44 1HE TRP 44 -0.857 6.921 -4.041 444 HE3 TRP 44 3HE TRP 44 -1.318 1.646 -4.386 445 HZ2 TRP 44 2HZ TRP 44 -0.207 5.605 -1.576 446 HZ3 TRP 44 3HZ TRP 44 -0.626 1.351 -2.009 447 HH2 TRP 44 HH TRP 44 -0.067 3.325 -0.617 448 QB TRP 44 QB TRP 44 -2.462 3.373 -7.020 449 H THR 45 H THR 45 0.458 0.468 -7.317 450 HA THR 45 HA THR 45 -1.667 -0.804 -9.009 451 HB THR 45 HB THR 45 0.009 -1.870 -10.335 452 HG1 THR 45 1HG THR 45 2.231 -1.633 -9.781 453 1HG2 THR 45 3HG2 THR 45 -0.350 0.527 -10.869 454 2HG2 THR 45 2HG2 THR 45 0.990 0.942 -9.800 455 3HG2 THR 45 1HG2 THR 45 1.287 0.000 -11.265 456 QG2 THR 45 QG2 THR 45 0.642 0.490 -10.645 457 H TYR 46 H TYR 46 -2.415 -2.651 -8.120 458 HA TYR 46 HA TYR 46 -1.065 -3.720 -5.702 459 1HB TYR 46 2HB TYR 46 -3.412 -3.272 -5.490 460 2HB TYR 46 1HB TYR 46 -3.776 -4.106 -7.005 461 HD1 TYR 46 2HD TYR 46 -1.852 -4.893 -3.880 462 HD2 TYR 46 1HD TYR 46 -4.801 -6.185 -6.718 463 HE1 TYR 46 2HE TYR 46 -2.084 -7.032 -2.659 464 HE2 TYR 46 1HE TYR 46 -5.029 -8.334 -5.502 465 HH TYR 46 HH TYR 46 -4.633 -9.154 -3.137 466 QB TYR 46 QB TYR 46 -3.594 -3.689 -6.248 467 QG TYR 46 QD TYR 46 -3.326 -5.539 -5.299 468 QZ TYR 46 QE TYR 46 -3.557 -7.683 -4.081 469 QR TYR 46 QR TYR 46 -3.441 -6.611 -4.690 470 H ASP 47 H ASP 47 0.128 -5.579 -5.797 471 HA ASP 47 HA ASP 47 0.180 -7.125 -8.342 472 1HB ASP 47 2HB ASP 47 2.188 -6.103 -6.970 473 2HB ASP 47 1HB ASP 47 1.983 -7.542 -5.970 474 QB ASP 47 QB ASP 47 2.086 -6.823 -6.470 475 H ASP 48 H ASP 48 -1.642 -8.490 -8.151 476 HA ASP 48 HA ASP 48 -2.396 -9.865 -5.730 477 1HB ASP 48 2HB ASP 48 -3.892 -11.090 -7.290 478 2HB ASP 48 1HB ASP 48 -3.929 -9.352 -7.578 479 QB ASP 48 QB ASP 48 -3.911 -10.221 -7.434 480 H ALA 49 H ALA 49 0.243 -10.419 -7.778 481 HA ALA 49 HA ALA 49 0.271 -13.356 -7.440 482 1HB ALA 49 2HB ALA 49 1.236 -11.460 -9.312 483 2HB ALA 49 1HB ALA 49 2.666 -12.165 -8.561 484 3HB ALA 49 3HB ALA 49 1.480 -13.206 -9.348 485 QB ALA 49 QB ALA 49 1.794 -12.277 -9.074 486 H THR 50 H THR 50 1.723 -10.439 -6.116 487 HA THR 50 HA THR 50 3.333 -12.144 -4.245 488 HB THR 50 HB THR 50 4.950 -10.249 -4.276 489 HG1 THR 50 1HG THR 50 4.376 -8.439 -5.147 490 1HG2 THR 50 3HG2 THR 50 4.719 -12.206 -6.096 491 2HG2 THR 50 2HG2 THR 50 4.496 -10.820 -7.162 492 3HG2 THR 50 1HG2 THR 50 5.970 -10.968 -6.205 493 QG2 THR 50 QG2 THR 50 5.062 -11.331 -6.488 494 H LYS 51 H LYS 51 0.588 -10.338 -4.384 495 HA LYS 51 HA LYS 51 -0.666 -9.123 -2.798 496 1HB LYS 51 2HB LYS 51 1.316 -10.522 -0.965 497 2HB LYS 51 1HB LYS 51 -0.222 -9.824 -0.461 498 1HG LYS 51 2HG LYS 51 -0.479 -11.674 -2.735 499 2HG LYS 51 1HG LYS 51 0.148 -12.443 -1.278 500 1HD LYS 51 2HD LYS 51 -2.183 -10.602 -0.971 501 2HD LYS 51 1HD LYS 51 -2.479 -12.182 -1.697 502 1HE LYS 51 2HE LYS 51 -1.614 -13.329 0.238 503 2HE LYS 51 1HE LYS 51 -1.003 -11.814 0.931 504 1HZ LYS 51 2HZ LYS 51 -3.856 -12.324 0.278 505 2HZ LYS 51 1HZ LYS 51 -3.195 -12.482 1.835 506 3HZ LYS 51 3HZ LYS 51 -3.220 -10.966 1.076 507 QB LYS 51 QB LYS 51 0.547 -10.173 -0.713 508 QG LYS 51 QG LYS 51 -0.165 -12.059 -2.007 509 QD LYS 51 QD LYS 51 -2.331 -11.392 -1.334 510 QE LYS 51 QE LYS 51 -1.308 -12.571 0.584 511 QZ LYS 51 QZ LYS 51 -3.424 -11.924 1.063 512 H THR 52 H THR 52 1.536 -7.729 -4.043 513 HA THR 52 HA THR 52 2.258 -5.830 -1.824 514 HB THR 52 HB THR 52 3.962 -6.635 -4.200 515 HG1 THR 52 1HG THR 52 3.946 -8.397 -2.956 516 1HG2 THR 52 1HG2 THR 52 4.376 -4.915 -1.760 517 2HG2 THR 52 3HG2 THR 52 5.743 -5.649 -2.601 518 3HG2 THR 52 2HG2 THR 52 4.688 -4.521 -3.451 519 QG2 THR 52 QG2 THR 52 4.936 -5.028 -2.604 520 H PHE 53 H PHE 53 1.789 -3.698 -2.284 521 HA PHE 53 HA PHE 53 0.566 -3.049 -4.885 522 1HB PHE 53 2HB PHE 53 0.959 -1.609 -2.254 523 2HB PHE 53 1HB PHE 53 0.174 -0.849 -3.639 524 HD1 PHE 53 2HD PHE 53 -0.004 -3.784 -1.336 525 HD2 PHE 53 1HD PHE 53 -2.113 -1.301 -4.149 526 HE1 PHE 53 2HE PHE 53 -2.140 -4.892 -0.715 527 HE2 PHE 53 1HE PHE 53 -4.235 -2.418 -3.530 528 1HZ PHE 53 HZ PHE 53 -4.251 -4.210 -1.819 529 QB PHE 53 QB PHE 53 0.567 -1.229 -2.946 530 QG PHE 53 QD PHE 53 -1.058 -2.543 -2.743 531 QZ PHE 53 QE PHE 53 -3.187 -3.655 -2.123 532 QZ PHE 53 QR PHE 53 -2.548 -3.321 -2.310 533 H THR 54 H THR 54 1.303 -0.464 -5.458 534 HA THR 54 HA THR 54 4.236 -0.170 -5.255 535 HB THR 54 HB THR 54 3.072 -0.220 -8.022 536 HG1 THR 54 1HG THR 54 2.447 -2.201 -7.571 537 1HG2 THR 54 3HG2 THR 54 5.538 0.317 -7.079 538 2HG2 THR 54 2HG2 THR 54 5.685 -1.427 -7.293 539 3HG2 THR 54 1HG2 THR 54 5.261 -0.404 -8.665 540 QG2 THR 54 QG2 THR 54 5.494 -0.505 -7.679 541 H VAL 55 H VAL 55 4.030 1.911 -4.457 542 HA VAL 55 HA VAL 55 2.371 3.808 -6.054 543 HB VAL 55 HB VAL 55 1.514 3.420 -3.815 544 1HG1 VAL 55 1HG1 VAL 55 4.357 4.032 -2.977 545 2HG1 VAL 55 3HG1 VAL 55 2.996 4.055 -1.848 546 3HG1 VAL 55 2HG1 VAL 55 3.422 2.558 -2.683 547 1HG2 VAL 55 2HG2 VAL 55 2.965 6.072 -4.068 548 2HG2 VAL 55 1HG2 VAL 55 1.308 5.720 -4.552 549 3HG2 VAL 55 3HG2 VAL 55 1.742 5.735 -2.841 550 QG1 VAL 55 QG1 VAL 55 3.592 3.548 -2.502 551 QG2 VAL 55 QG2 VAL 55 2.005 5.842 -3.820 552 QQG VAL 55 QQG VAL 55 2.798 4.695 -3.161 553 H THR 56 H THR 56 3.223 5.813 -6.586 554 HA THR 56 HA THR 56 5.988 6.483 -5.743 555 HB THR 56 HB THR 56 5.945 4.959 -7.807 556 HG1 THR 56 1HG THR 56 7.589 6.666 -7.179 557 1HG2 THR 56 3HG2 THR 56 4.010 6.674 -8.719 558 2HG2 THR 56 2HG2 THR 56 5.441 7.231 -9.584 559 3HG2 THR 56 1HG2 THR 56 4.929 5.547 -9.717 560 QG2 THR 56 QG2 THR 56 4.793 6.484 -9.340 561 H GLU 57 H GLU 57 6.498 8.647 -7.290 562 HA GLU 57 HA GLU 57 4.051 10.371 -7.184 563 1HB GLU 57 2HB GLU 57 5.532 10.455 -5.104 564 2HB GLU 57 1HB GLU 57 6.782 11.159 -6.130 565 1HG GLU 57 2HG GLU 57 4.676 12.732 -6.810 566 2HG GLU 57 1HG GLU 57 4.255 12.357 -5.139 567 QB GLU 57 QB GLU 57 6.157 10.807 -5.617 568 QG GLU 57 QG GLU 57 4.465 12.545 -5.974 No H/Q in entry = 568 Start of MODEL 39 1 1H MET 1 1HT MET 1 0.567 -13.651 6.466 2 2H MET 1 3HT MET 1 -0.599 -13.422 7.676 3 3H MET 1 2HT MET 1 0.331 -14.841 7.654 4 HA MET 1 HA MET 1 -0.738 -15.643 5.706 5 1HB MET 1 2HB MET 1 -1.821 -15.586 8.080 6 2HB MET 1 1HB MET 1 -2.909 -14.385 7.382 7 1HG MET 1 2HG MET 1 -2.435 -16.989 5.953 8 2HG MET 1 1HG MET 1 -3.584 -16.913 7.289 9 1HE MET 1 1HE MET 1 -5.292 -17.711 6.067 10 2HE MET 1 3HE MET 1 -6.328 -16.842 4.925 11 3HE MET 1 2HE MET 1 -4.893 -17.690 4.352 12 QB MET 1 QB MET 1 -2.365 -14.985 7.731 13 QG MET 1 QG MET 1 -3.009 -16.951 6.621 14 QE MET 1 QE MET 1 -5.504 -17.414 5.115 15 H THR 2 H THR 2 -1.839 -12.347 6.536 16 HA THR 2 HA THR 2 -2.511 -11.932 3.640 17 HB THR 2 HB THR 2 -3.972 -10.905 6.097 18 HG1 THR 2 1HG THR 2 -4.570 -12.964 4.243 19 1HG2 THR 2 3HG2 THR 2 -4.157 -10.368 3.189 20 2HG2 THR 2 2HG2 THR 2 -5.691 -10.656 4.011 21 3HG2 THR 2 1HG2 THR 2 -4.629 -9.359 4.556 22 QG2 THR 2 QG2 THR 2 -4.826 -10.128 3.919 23 H THR 3 H THR 3 -0.029 -11.264 5.095 24 HA THR 3 HA THR 3 -0.029 -8.432 5.761 25 HB THR 3 HB THR 3 2.263 -10.261 4.974 26 HG1 THR 3 1HG THR 3 2.094 -11.145 6.880 27 1HG2 THR 3 3HG2 THR 3 2.234 -7.543 5.594 28 2HG2 THR 3 2HG2 THR 3 2.675 -8.320 7.116 29 3HG2 THR 3 1HG2 THR 3 3.637 -8.610 5.667 30 QG2 THR 3 QG2 THR 3 2.849 -8.158 6.126 31 H PHE 4 H PHE 4 -0.494 -6.978 4.139 32 HA PHE 4 HA PHE 4 0.353 -7.502 1.353 33 1HB PHE 4 2HB PHE 4 -1.291 -5.393 2.774 34 2HB PHE 4 1HB PHE 4 -0.937 -5.315 1.047 35 HD1 PHE 4 1HD PHE 4 -1.397 -7.537 -0.297 36 HD2 PHE 4 2HD PHE 4 -3.187 -6.552 3.476 37 HE1 PHE 4 1HE PHE 4 -3.216 -9.166 -0.736 38 HE2 PHE 4 2HE PHE 4 -5.012 -8.168 3.032 39 1HZ PHE 4 HZ PHE 4 -5.022 -9.483 0.930 40 QB PHE 4 QB PHE 4 -1.114 -5.354 1.910 41 QG PHE 4 QD PHE 4 -2.292 -7.045 1.590 42 QZ PHE 4 QE PHE 4 -4.114 -8.667 1.148 43 QZ PHE 4 QR PHE 4 -3.567 -8.181 1.281 44 H LYS 5 H LYS 5 2.348 -6.842 0.710 45 HA LYS 5 HA LYS 5 3.856 -4.835 2.249 46 1HB LYS 5 2HB LYS 5 4.424 -6.511 -0.217 47 2HB LYS 5 1HB LYS 5 5.616 -5.466 0.556 48 1HG LYS 5 2HG LYS 5 5.192 -6.740 2.705 49 2HG LYS 5 1HG LYS 5 4.238 -7.881 1.755 50 1HD LYS 5 2HD LYS 5 6.949 -7.225 0.719 51 2HD LYS 5 1HD LYS 5 6.878 -8.213 2.178 52 1HE LYS 5 2HE LYS 5 5.099 -9.610 0.859 53 2HE LYS 5 1HE LYS 5 5.812 -8.837 -0.571 54 1HZ LYS 5 2HZ LYS 5 8.005 -9.515 0.205 55 2HZ LYS 5 1HZ LYS 5 7.309 -10.292 1.547 56 3HZ LYS 5 3HZ LYS 5 7.004 -10.869 -0.019 57 QB LYS 5 QB LYS 5 5.020 -5.988 0.169 58 QG LYS 5 QG LYS 5 4.715 -7.311 2.230 59 QD LYS 5 QD LYS 5 6.913 -7.719 1.448 60 QE LYS 5 QE LYS 5 5.455 -9.224 0.144 61 QZ LYS 5 QZ LYS 5 7.439 -10.225 0.578 62 H LEU 6 H LEU 6 4.996 -3.061 0.902 63 HA LEU 6 HA LEU 6 3.411 -2.145 -1.442 64 1HB LEU 6 2HB LEU 6 2.274 -1.256 0.547 65 2HB LEU 6 1HB LEU 6 3.797 -0.603 1.147 66 HG LEU 6 HG LEU 6 3.711 0.514 -1.351 67 1HD1 LEU 6 1HD1 LEU 6 0.959 -0.243 -0.589 68 2HD1 LEU 6 3HD1 LEU 6 1.158 1.437 -1.089 69 3HD1 LEU 6 2HD1 LEU 6 1.631 0.134 -2.176 70 1HD2 LEU 6 2HD2 LEU 6 3.706 1.391 1.255 71 2HD2 LEU 6 1HD2 LEU 6 3.692 2.450 -0.153 72 3HD2 LEU 6 3HD2 LEU 6 2.180 2.044 0.659 73 QB LEU 6 QB LEU 6 3.035 -0.929 0.847 74 QD1 LEU 6 QD1 LEU 6 1.250 0.443 -1.285 75 QD2 LEU 6 QD2 LEU 6 3.192 1.961 0.587 76 QQD LEU 6 QQD LEU 6 2.221 1.202 -0.349 77 H ILE 7 H ILE 7 5.061 -1.899 -2.893 78 HA ILE 7 HA ILE 7 7.706 -0.886 -2.021 79 HB ILE 7 HB ILE 7 6.585 -1.807 -4.696 80 1HG1 ILE 7 2HG1 ILE 7 8.487 -3.265 -2.845 81 2HG1 ILE 7 1HG1 ILE 7 6.740 -3.500 -2.786 82 1HG2 ILE 7 2HG2 ILE 7 8.524 -0.288 -4.932 83 2HG2 ILE 7 1HG2 ILE 7 9.449 -1.303 -3.824 84 3HG2 ILE 7 3HG2 ILE 7 8.947 -1.938 -5.392 85 1HD1 ILE 7 1HD1 ILE 7 8.409 -3.854 -5.292 86 2HD1 ILE 7 3HD1 ILE 7 7.932 -5.179 -4.228 87 3HD1 ILE 7 2HD1 ILE 7 6.702 -4.252 -5.089 88 QG1 ILE 7 QG1 ILE 7 7.613 -3.382 -2.816 89 QG2 ILE 7 QG2 ILE 7 8.973 -1.176 -4.716 90 QD1 ILE 7 QD1 ILE 7 7.681 -4.428 -4.870 91 H ILE 8 H ILE 8 7.967 1.333 -1.990 92 HA ILE 8 HA ILE 8 6.085 2.975 -3.570 93 HB ILE 8 HB ILE 8 8.217 3.768 -1.545 94 1HG1 ILE 8 2HG1 ILE 8 6.241 4.293 -0.100 95 2HG1 ILE 8 1HG1 ILE 8 5.200 3.559 -1.298 96 1HG2 ILE 8 3HG2 ILE 8 7.671 5.532 -3.202 97 2HG2 ILE 8 2HG2 ILE 8 5.956 5.344 -2.815 98 3HG2 ILE 8 1HG2 ILE 8 7.078 5.955 -1.596 99 1HD1 ILE 8 3HD1 ILE 8 7.483 2.004 -0.165 100 2HD1 ILE 8 2HD1 ILE 8 5.975 2.143 0.741 101 3HD1 ILE 8 1HD1 ILE 8 5.977 1.422 -0.870 102 QG1 ILE 8 QG1 ILE 8 5.720 3.926 -0.699 103 QG2 ILE 8 QG2 ILE 8 6.902 5.610 -2.538 104 QD1 ILE 8 QD1 ILE 8 6.478 1.856 -0.098 105 H ASN 9 H ASN 9 6.712 3.632 -5.606 106 HA ASN 9 HA ASN 9 9.584 3.463 -6.357 107 1HB ASN 9 2HB ASN 9 7.805 2.378 -7.704 108 2HB ASN 9 1HB ASN 9 7.062 3.953 -7.967 109 1HD2 ASN 9 2HD2 ASN 9 9.180 4.718 -10.663 110 2HD2 ASN 9 1HD2 ASN 9 7.740 5.037 -9.824 111 QB ASN 9 QB ASN 9 7.434 3.166 -7.836 112 QD2 ASN 9 QD2 ASN 9 8.460 4.878 -10.244 113 H GLY 10 H GLY 10 10.522 5.270 -7.635 114 1HA GLY 10 2HA GLY 10 10.668 7.578 -8.281 115 2HA GLY 10 1HA GLY 10 9.238 7.918 -7.304 116 QA GLY 10 QA GLY 10 9.953 7.748 -7.793 117 H LYS 11 H LYS 11 10.744 9.744 -6.580 118 HA LYS 11 HA LYS 11 12.937 9.002 -4.767 119 1HB LYS 11 2HB LYS 11 13.099 11.464 -4.527 120 2HB LYS 11 1HB LYS 11 13.013 10.988 -6.221 121 1HG LYS 11 2HG LYS 11 10.330 11.333 -5.298 122 2HG LYS 11 1HG LYS 11 11.255 12.736 -4.767 123 1HD LYS 11 2HD LYS 11 11.343 11.685 -7.605 124 2HD LYS 11 1HD LYS 11 10.221 12.941 -7.079 125 1HE LYS 11 2HE LYS 11 12.014 14.444 -6.533 126 2HE LYS 11 1HE LYS 11 13.225 13.158 -6.698 127 1HZ LYS 11 2HZ LYS 11 12.576 12.898 -9.018 128 2HZ LYS 11 1HZ LYS 11 11.451 14.161 -8.863 129 3HZ LYS 11 3HZ LYS 11 13.109 14.483 -8.719 130 QB LYS 11 QB LYS 11 13.056 11.226 -5.374 131 QG LYS 11 QG LYS 11 10.792 12.035 -5.032 132 QD LYS 11 QD LYS 11 10.782 12.313 -7.342 133 QE LYS 11 QE LYS 11 12.619 13.801 -6.616 134 QZ LYS 11 QZ LYS 11 12.379 13.847 -8.866 135 H THR 12 H THR 12 9.678 8.763 -4.357 136 HA THR 12 HA THR 12 9.067 10.146 -1.948 137 HB THR 12 HB THR 12 7.583 7.850 -1.829 138 HG1 THR 12 1HG THR 12 8.833 7.087 -3.672 139 1HG2 THR 12 3HG2 THR 12 7.259 10.278 -3.593 140 2HG2 THR 12 2HG2 THR 12 5.984 9.080 -3.370 141 3HG2 THR 12 1HG2 THR 12 6.572 10.008 -1.991 142 QG2 THR 12 QG2 THR 12 6.605 9.789 -2.985 143 H LEU 13 H LEU 13 8.323 8.217 -0.073 144 HA LEU 13 HA LEU 13 10.628 7.824 1.481 145 1HB LEU 13 2HB LEU 13 9.181 6.427 2.843 146 2HB LEU 13 1HB LEU 13 8.210 7.728 2.162 147 HG LEU 13 HG LEU 13 7.739 5.994 0.254 148 1HD1 LEU 13 3HD1 LEU 13 9.355 4.429 1.928 149 2HD1 LEU 13 2HD1 LEU 13 7.715 3.873 2.257 150 3HD1 LEU 13 1HD1 LEU 13 8.344 3.843 0.609 151 1HD2 LEU 13 1HD2 LEU 13 6.211 7.009 2.085 152 2HD2 LEU 13 3HD2 LEU 13 5.688 5.500 1.340 153 3HD2 LEU 13 2HD2 LEU 13 6.445 5.481 2.930 154 QB LEU 13 QB LEU 13 8.695 7.078 2.502 155 QD1 LEU 13 QD1 LEU 13 8.471 4.048 1.598 156 QD2 LEU 13 QD2 LEU 13 6.114 5.996 2.118 157 QQD LEU 13 QQD LEU 13 7.293 5.022 1.858 158 H LYS 14 H LYS 14 9.273 5.698 -1.009 159 HA LYS 14 HA LYS 14 10.120 3.727 -2.004 160 1HB LYS 14 2HB LYS 14 12.379 5.527 -1.315 161 2HB LYS 14 1HB LYS 14 12.812 3.878 -1.764 162 1HG LYS 14 2HG LYS 14 10.771 5.039 -3.531 163 2HG LYS 14 1HG LYS 14 12.284 5.945 -3.542 164 1HD LYS 14 2HD LYS 14 13.325 3.490 -3.705 165 2HD LYS 14 1HD LYS 14 11.749 3.139 -4.416 166 1HE LYS 14 2HE LYS 14 12.091 4.607 -6.223 167 2HE LYS 14 1HE LYS 14 13.341 5.524 -5.359 168 1HZ LYS 14 1HZ LYS 14 13.587 2.664 -6.124 169 2HZ LYS 14 3HZ LYS 14 14.264 3.946 -7.007 170 3HZ LYS 14 2HZ LYS 14 14.790 3.636 -5.421 171 QB LYS 14 QB LYS 14 12.596 4.702 -1.540 172 QG LYS 14 QG LYS 14 11.528 5.492 -3.537 173 QD LYS 14 QD LYS 14 12.537 3.314 -4.061 174 QE LYS 14 QE LYS 14 12.716 5.066 -5.791 175 QZ LYS 14 QZ LYS 14 14.214 3.415 -6.184 176 H GLY 15 H GLY 15 9.443 1.989 -0.707 177 1HA GLY 15 2HA GLY 15 11.334 0.401 0.623 178 2HA GLY 15 1HA GLY 15 10.581 1.387 1.875 179 QA GLY 15 QA GLY 15 10.957 0.894 1.249 180 H GLU 16 H GLU 16 9.879 -0.816 2.626 181 HA GLU 16 HA GLU 16 7.172 -1.456 1.554 182 1HB GLU 16 2HB GLU 16 9.665 -3.056 1.433 183 2HB GLU 16 1HB GLU 16 8.238 -3.938 1.983 184 1HG GLU 16 2HG GLU 16 7.001 -3.174 -0.021 185 2HG GLU 16 1HG GLU 16 8.444 -2.326 -0.580 186 QB GLU 16 QB GLU 16 8.951 -3.497 1.708 187 QG GLU 16 QG GLU 16 7.722 -2.750 -0.300 188 H ILE 17 H ILE 17 6.779 -0.315 3.711 189 HA ILE 17 HA ILE 17 7.673 -1.266 6.226 190 HB ILE 17 HB ILE 17 5.646 -0.097 7.065 191 1HG1 ILE 17 2HG1 ILE 17 4.908 0.266 4.150 192 2HG1 ILE 17 1HG1 ILE 17 4.181 -0.978 5.168 193 1HG2 ILE 17 3HG2 ILE 17 7.736 1.093 6.145 194 2HG2 ILE 17 2HG2 ILE 17 6.763 1.435 4.713 195 3HG2 ILE 17 1HG2 ILE 17 6.267 2.058 6.287 196 1HD1 ILE 17 3HD1 ILE 17 4.233 1.814 6.222 197 2HD1 ILE 17 2HD1 ILE 17 3.085 1.446 4.936 198 3HD1 ILE 17 1HD1 ILE 17 3.027 0.550 6.454 199 QG1 ILE 17 QG1 ILE 17 4.545 -0.356 4.659 200 QG2 ILE 17 QG2 ILE 17 6.922 1.529 5.715 201 QD1 ILE 17 QD1 ILE 17 3.448 1.270 5.871 202 H THR 18 H THR 18 5.237 -2.573 4.077 203 HA THR 18 HA THR 18 3.941 -4.525 4.165 204 HB THR 18 HB THR 18 4.953 -6.402 5.150 205 HG1 THR 18 1HG THR 18 5.030 -5.985 7.247 206 1HG2 THR 18 3HG2 THR 18 6.569 -4.667 3.778 207 2HG2 THR 18 2HG2 THR 18 7.502 -4.934 5.251 208 3HG2 THR 18 1HG2 THR 18 7.027 -6.305 4.249 209 QG2 THR 18 QG2 THR 18 7.033 -5.302 4.426 210 H ILE 19 H ILE 19 1.943 -4.785 5.006 211 HA ILE 19 HA ILE 19 1.513 -4.441 7.933 212 HB ILE 19 HB ILE 19 -0.311 -2.814 7.471 213 1HG1 ILE 19 2HG1 ILE 19 0.139 -1.802 4.976 214 2HG1 ILE 19 1HG1 ILE 19 0.415 -3.519 4.682 215 1HG2 ILE 19 1HG2 ILE 19 2.193 -2.210 7.831 216 2HG2 ILE 19 3HG2 ILE 19 2.180 -1.799 6.115 217 3HG2 ILE 19 2HG2 ILE 19 1.107 -0.955 7.233 218 1HD1 ILE 19 1HD1 ILE 19 -1.792 -3.970 5.848 219 2HD1 ILE 19 3HD1 ILE 19 -2.073 -2.229 5.833 220 3HD1 ILE 19 2HD1 ILE 19 -1.928 -3.113 4.313 221 QG1 ILE 19 QG1 ILE 19 0.277 -2.660 4.829 222 QG2 ILE 19 QG2 ILE 19 1.827 -1.655 7.059 223 QD1 ILE 19 QD1 ILE 19 -1.931 -3.104 5.331 224 H GLU 20 H GLU 20 -0.547 -5.321 8.642 225 HA GLU 20 HA GLU 20 -1.604 -7.433 6.816 226 1HB GLU 20 2HB GLU 20 -1.329 -6.964 9.755 227 2HB GLU 20 1HB GLU 20 -2.684 -7.960 9.222 228 1HG GLU 20 2HG GLU 20 -1.057 -9.348 7.900 229 2HG GLU 20 1HG GLU 20 0.253 -8.424 8.637 230 QB GLU 20 QB GLU 20 -2.007 -7.462 9.488 231 QG GLU 20 QG GLU 20 -0.402 -8.886 8.268 232 H ALA 21 H ALA 21 -3.992 -7.718 6.746 233 HA ALA 21 HA ALA 21 -5.770 -5.674 7.813 234 1HB ALA 21 2HB ALA 21 -4.508 -5.415 5.145 235 2HB ALA 21 1HB ALA 21 -6.247 -5.127 5.182 236 3HB ALA 21 3HB ALA 21 -5.173 -4.166 6.198 237 QB ALA 21 QB ALA 21 -5.309 -4.902 5.508 238 H VAL 22 H VAL 22 -8.019 -5.964 6.883 239 HA VAL 22 HA VAL 22 -8.922 -8.619 6.973 240 HB VAL 22 HB VAL 22 -10.299 -6.603 7.300 241 1HG1 VAL 22 1HG1 VAL 22 -9.106 -5.417 5.313 242 2HG1 VAL 22 3HG1 VAL 22 -10.323 -6.206 4.309 243 3HG1 VAL 22 2HG1 VAL 22 -10.818 -5.083 5.575 244 1HG2 VAL 22 2HG2 VAL 22 -11.261 -8.852 6.438 245 2HG2 VAL 22 1HG2 VAL 22 -12.284 -7.422 6.307 246 3HG2 VAL 22 3HG2 VAL 22 -11.429 -8.026 4.888 247 QG1 VAL 22 QG1 VAL 22 -10.083 -5.569 5.066 248 QG2 VAL 22 QG2 VAL 22 -11.658 -8.100 5.878 249 QQG VAL 22 QQG VAL 22 -10.870 -6.834 5.472 250 H ASP 23 H ASP 23 -8.069 -6.649 4.140 251 HA ASP 23 HA ASP 23 -7.609 -9.073 2.528 252 1HB ASP 23 2HB ASP 23 -9.952 -7.219 2.256 253 2HB ASP 23 1HB ASP 23 -9.242 -7.885 0.783 254 QB ASP 23 QB ASP 23 -9.597 -7.552 1.519 255 H ALA 24 H ALA 24 -6.990 -8.213 0.164 256 HA ALA 24 HA ALA 24 -4.789 -6.402 0.471 257 1HB ALA 24 3HB ALA 24 -5.295 -8.241 -1.297 258 2HB ALA 24 2HB ALA 24 -6.207 -6.982 -2.134 259 3HB ALA 24 1HB ALA 24 -4.477 -6.776 -1.845 260 QB ALA 24 QB ALA 24 -5.326 -7.333 -1.759 261 H ALA 25 H ALA 25 -8.142 -5.961 -0.572 262 HA ALA 25 HA ALA 25 -8.051 -3.375 -1.672 263 1HB ALA 25 3HB ALA 25 -9.978 -5.053 -1.454 264 2HB ALA 25 2HB ALA 25 -10.208 -4.419 0.176 265 3HB ALA 25 1HB ALA 25 -10.404 -3.357 -1.219 266 QB ALA 25 QB ALA 25 -10.197 -4.277 -0.832 267 H GLU 26 H GLU 26 -8.646 -4.278 1.744 268 HA GLU 26 HA GLU 26 -8.695 -1.636 2.824 269 1HB GLU 26 2HB GLU 26 -8.943 -4.266 3.709 270 2HB GLU 26 1HB GLU 26 -7.488 -3.708 4.530 271 1HG GLU 26 2HG GLU 26 -9.768 -1.808 4.519 272 2HG GLU 26 1HG GLU 26 -9.989 -3.268 5.483 273 QB GLU 26 QB GLU 26 -8.215 -3.987 4.119 274 QG GLU 26 QG GLU 26 -9.879 -2.538 5.001 275 H ALA 27 H ALA 27 -5.996 -3.924 2.346 276 HA ALA 27 HA ALA 27 -3.889 -2.460 3.544 277 1HB ALA 27 1HB ALA 27 -4.225 -4.501 1.418 278 2HB ALA 27 3HB ALA 27 -2.709 -3.596 1.356 279 3HB ALA 27 2HB ALA 27 -3.143 -4.500 2.812 280 QB ALA 27 QB ALA 27 -3.359 -4.199 1.862 281 H GLU 28 H GLU 28 -5.244 -2.197 0.246 282 HA GLU 28 HA GLU 28 -3.440 -0.244 -0.781 283 1HB GLU 28 2HB GLU 28 -5.403 -1.673 -1.832 284 2HB GLU 28 1HB GLU 28 -6.368 -0.244 -1.460 285 1HG GLU 28 2HG GLU 28 -4.466 1.083 -2.632 286 2HG GLU 28 1HG GLU 28 -3.991 -0.474 -3.313 287 QB GLU 28 QB GLU 28 -5.886 -0.958 -1.646 288 QG GLU 28 QG GLU 28 -4.228 0.304 -2.973 289 H LYS 29 H LYS 29 -6.566 0.178 0.960 290 HA LYS 29 HA LYS 29 -6.582 3.035 0.946 291 1HB LYS 29 2HB LYS 29 -7.752 0.840 2.635 292 2HB LYS 29 1HB LYS 29 -7.969 2.523 3.114 293 1HG LYS 29 2HG LYS 29 -9.763 2.469 1.722 294 2HG LYS 29 1HG LYS 29 -8.558 2.651 0.450 295 1HD LYS 29 2HD LYS 29 -8.826 -0.136 1.261 296 2HD LYS 29 1HD LYS 29 -10.367 0.533 0.728 297 1HE LYS 29 2HE LYS 29 -7.846 0.976 -0.884 298 2HE LYS 29 1HE LYS 29 -8.850 -0.472 -1.112 299 1HZ LYS 29 2HZ LYS 29 -10.790 0.990 -1.348 300 2HZ LYS 29 1HZ LYS 29 -9.776 2.349 -1.246 301 3HZ LYS 29 3HZ LYS 29 -9.631 1.282 -2.556 302 QB LYS 29 QB LYS 29 -7.860 1.682 2.875 303 QG LYS 29 QG LYS 29 -9.160 2.560 1.086 304 QD LYS 29 QD LYS 29 -9.596 0.199 0.994 305 QE LYS 29 QE LYS 29 -8.348 0.252 -0.998 306 QZ LYS 29 QZ LYS 29 -10.066 1.540 -1.717 307 H ILE 30 H ILE 30 -5.431 0.734 3.440 308 HA ILE 30 HA ILE 30 -4.394 2.602 5.317 309 HB ILE 30 HB ILE 30 -3.460 -0.185 4.523 310 1HG1 ILE 30 2HG1 ILE 30 -5.301 0.707 6.764 311 2HG1 ILE 30 1HG1 ILE 30 -5.863 0.047 5.229 312 1HG2 ILE 30 2HG2 ILE 30 -2.883 1.517 6.963 313 2HG2 ILE 30 1HG2 ILE 30 -2.632 -0.229 6.927 314 3HG2 ILE 30 3HG2 ILE 30 -1.716 0.817 5.841 315 1HD1 ILE 30 3HD1 ILE 30 -4.007 -1.833 5.981 316 2HD1 ILE 30 2HD1 ILE 30 -4.665 -1.337 7.541 317 3HD1 ILE 30 1HD1 ILE 30 -5.739 -1.961 6.290 318 QG1 ILE 30 QG1 ILE 30 -5.582 0.377 5.997 319 QG2 ILE 30 QG2 ILE 30 -2.410 0.702 6.577 320 QD1 ILE 30 QD1 ILE 30 -4.804 -1.710 6.604 321 H PHE 31 H PHE 31 -2.816 1.006 2.549 322 HA PHE 31 HA PHE 31 -0.256 2.325 2.848 323 1HB PHE 31 2HB PHE 31 -1.740 0.745 0.762 324 2HB PHE 31 1HB PHE 31 -0.255 1.576 0.300 325 HD1 PHE 31 1HD PHE 31 1.562 1.367 2.428 326 HD2 PHE 31 2HD PHE 31 -1.383 -1.513 1.206 327 HE1 PHE 31 1HE PHE 31 2.905 -0.443 3.458 328 HE2 PHE 31 2HE PHE 31 -0.035 -3.325 2.240 329 1HZ PHE 31 HZ PHE 31 2.110 -2.785 3.368 330 QB PHE 31 QB PHE 31 -0.997 1.160 0.531 331 QG PHE 31 QD PHE 31 0.089 -0.073 1.817 332 QZ PHE 31 QE PHE 31 1.435 -1.884 2.849 333 QZ PHE 31 QR PHE 31 1.032 -1.340 2.540 334 H LYS 32 H LYS 32 -3.246 3.037 1.134 335 HA LYS 32 HA LYS 32 -2.251 5.269 -0.388 336 1HB LYS 32 2HB LYS 32 -4.917 4.094 0.317 337 2HB LYS 32 1HB LYS 32 -4.832 5.642 -0.525 338 1HG LYS 32 2HG LYS 32 -3.093 3.496 -1.611 339 2HG LYS 32 1HG LYS 32 -4.828 3.247 -1.808 340 1HD LYS 32 2HD LYS 32 -3.637 5.922 -2.478 341 2HD LYS 32 1HD LYS 32 -3.507 4.597 -3.634 342 1HE LYS 32 2HE LYS 32 -5.722 4.705 -4.174 343 2HE LYS 32 1HE LYS 32 -6.211 4.926 -2.482 344 1HZ LYS 32 1HZ LYS 32 -5.329 7.200 -2.595 345 2HZ LYS 32 3HZ LYS 32 -4.991 6.987 -4.244 346 3HZ LYS 32 2HZ LYS 32 -6.599 6.958 -3.698 347 QB LYS 32 QB LYS 32 -4.875 4.868 -0.104 348 QG LYS 32 QG LYS 32 -3.961 3.372 -1.710 349 QD LYS 32 QD LYS 32 -3.572 5.259 -3.056 350 QE LYS 32 QE LYS 32 -5.967 4.815 -3.328 351 QZ LYS 32 QZ LYS 32 -5.640 7.048 -3.512 352 H GLN 33 H GLN 33 -2.788 4.965 2.934 353 HA GLN 33 HA GLN 33 -3.487 7.887 3.232 354 1HB GLN 33 2HB GLN 33 -4.968 6.246 4.380 355 2HB GLN 33 1HB GLN 33 -3.562 5.526 5.166 356 1HG GLN 33 2HG GLN 33 -3.091 7.848 6.131 357 2HG GLN 33 1HG GLN 33 -4.706 8.293 5.584 358 1HE2 GLN 33 2HE2 GLN 33 -5.854 7.116 8.721 359 2HE2 GLN 33 1HE2 GLN 33 -5.656 8.460 7.703 360 QB GLN 33 QB GLN 33 -4.265 5.886 4.773 361 QG GLN 33 QG GLN 33 -3.898 8.070 5.858 362 QE2 GLN 33 QE2 GLN 33 -5.755 7.788 8.212 363 H TYR 34 H TYR 34 -1.493 5.229 4.289 364 HA TYR 34 HA TYR 34 0.540 6.424 5.820 365 1HB TYR 34 2HB TYR 34 0.393 4.082 5.646 366 2HB TYR 34 1HB TYR 34 0.130 4.139 3.899 367 HD1 TYR 34 1HD TYR 34 2.732 4.730 6.551 368 HD2 TYR 34 2HD TYR 34 1.958 3.763 2.438 369 HE1 TYR 34 1HE TYR 34 5.144 4.268 6.205 370 HE2 TYR 34 2HE TYR 34 4.369 3.302 2.092 371 HH TYR 34 HH TYR 34 6.756 4.156 4.418 372 QB TYR 34 QB TYR 34 0.261 4.110 4.772 373 QG TYR 34 QD TYR 34 2.345 4.246 4.494 374 QZ TYR 34 QE TYR 34 4.757 3.785 4.149 375 QR TYR 34 QR TYR 34 3.551 4.016 4.321 376 H ALA 35 H ALA 35 -0.018 6.386 2.339 377 HA ALA 35 HA ALA 35 2.520 7.382 1.400 378 1HB ALA 35 1HB ALA 35 -0.245 6.942 0.446 379 2HB ALA 35 3HB ALA 35 0.584 8.281 -0.358 380 3HB ALA 35 2HB ALA 35 1.286 6.658 -0.385 381 QB ALA 35 QB ALA 35 0.542 7.293 -0.099 382 H ASN 36 H ASN 36 -0.617 9.067 1.577 383 HA ASN 36 HA ASN 36 0.279 11.728 1.310 384 1HB ASN 36 2HB ASN 36 -2.043 10.480 2.805 385 2HB ASN 36 1HB ASN 36 -1.915 12.213 2.484 386 1HD2 ASN 36 2HD2 ASN 36 -3.013 9.682 -0.507 387 2HD2 ASN 36 1HD2 ASN 36 -2.607 9.091 1.030 388 QB ASN 36 QB ASN 36 -1.979 11.346 2.644 389 QD2 ASN 36 QD2 ASN 36 -2.810 9.387 0.261 390 H ASP 37 H ASP 37 -0.120 9.777 4.261 391 HA ASP 37 HA ASP 37 0.303 11.670 6.272 392 1HB ASP 37 2HB ASP 37 -0.104 9.088 6.281 393 2HB ASP 37 1HB ASP 37 1.657 8.985 6.316 394 QB ASP 37 QB ASP 37 0.777 9.037 6.299 395 H ASN 38 H ASN 38 2.625 10.382 4.029 396 HA ASN 38 HA ASN 38 4.833 11.793 5.407 397 1HB ASN 38 2HB ASN 38 4.558 9.425 3.608 398 2HB ASN 38 1HB ASN 38 6.080 10.315 3.576 399 1HD2 ASN 38 2HD2 ASN 38 5.435 7.763 6.577 400 2HD2 ASN 38 1HD2 ASN 38 4.535 7.777 5.138 401 QB ASN 38 QB ASN 38 5.319 9.870 3.592 402 QD2 ASN 38 QD2 ASN 38 4.985 7.770 5.857 403 H GLY 39 H GLY 39 3.493 11.221 2.157 404 1HA GLY 39 2HA GLY 39 3.120 13.519 0.954 405 2HA GLY 39 1HA GLY 39 4.873 13.659 1.153 406 QA GLY 39 QA GLY 39 3.996 13.589 1.054 407 H ILE 40 H ILE 40 2.528 11.175 0.104 408 HA ILE 40 HA ILE 40 4.431 10.396 -2.086 409 HB ILE 40 HB ILE 40 2.389 8.974 -0.408 410 1HG1 ILE 40 2HG1 ILE 40 4.987 9.747 0.224 411 2HG1 ILE 40 1HG1 ILE 40 4.036 8.549 1.078 412 1HG2 ILE 40 2HG2 ILE 40 2.528 8.029 -2.701 413 2HG2 ILE 40 1HG2 ILE 40 4.248 7.734 -2.438 414 3HG2 ILE 40 3HG2 ILE 40 3.047 6.896 -1.451 415 1HD1 ILE 40 1HD1 ILE 40 5.695 7.824 -1.321 416 2HD1 ILE 40 3HD1 ILE 40 6.392 7.872 0.305 417 3HD1 ILE 40 2HD1 ILE 40 5.061 6.763 -0.058 418 QG1 ILE 40 QG1 ILE 40 4.511 9.148 0.651 419 QG2 ILE 40 QG2 ILE 40 3.275 7.553 -2.197 420 QD1 ILE 40 QD1 ILE 40 5.716 7.486 -0.358 421 H ASP 41 H ASP 41 3.544 10.448 -4.189 422 HA ASP 41 HA ASP 41 0.679 10.204 -4.685 423 1HB ASP 41 2HB ASP 41 1.075 12.528 -3.676 424 2HB ASP 41 1HB ASP 41 1.911 12.921 -5.180 425 QB ASP 41 QB ASP 41 1.493 12.725 -4.428 426 H GLY 42 H GLY 42 1.009 8.869 -6.439 427 1HA GLY 42 2HA GLY 42 1.933 10.047 -8.930 428 2HA GLY 42 1HA GLY 42 3.033 8.805 -8.334 429 QA GLY 42 QA GLY 42 2.483 9.426 -8.632 430 H GLU 43 H GLU 43 2.529 6.696 -8.793 431 HA GLU 43 HA GLU 43 -0.177 6.150 -9.983 432 1HB GLU 43 2HB GLU 43 2.332 5.794 -10.997 433 2HB GLU 43 1HB GLU 43 2.049 4.212 -10.272 434 1HG GLU 43 2HG GLU 43 0.348 3.695 -11.726 435 2HG GLU 43 1HG GLU 43 -0.184 5.372 -11.864 436 QB GLU 43 QB GLU 43 2.190 5.003 -10.635 437 QG GLU 43 QG GLU 43 0.082 4.533 -11.795 438 H TRP 44 H TRP 44 -0.682 3.629 -9.681 439 HA TRP 44 HA TRP 44 0.107 2.522 -7.031 440 1HB TRP 44 2HB TRP 44 -2.559 3.750 -7.724 441 2HB TRP 44 1HB TRP 44 -2.511 2.352 -6.643 442 HD1 TRP 44 HD TRP 44 -1.548 6.028 -6.827 443 HE1 TRP 44 1HE TRP 44 -0.847 6.805 -4.470 444 HE3 TRP 44 3HE TRP 44 -1.525 1.537 -4.421 445 HZ2 TRP 44 2HZ TRP 44 -0.342 5.663 -1.895 446 HZ3 TRP 44 3HZ TRP 44 -0.932 1.409 -2.008 447 HH2 TRP 44 HH TRP 44 -0.339 3.465 -0.751 448 QB TRP 44 QB TRP 44 -2.535 3.051 -7.183 449 H THR 45 H THR 45 0.229 0.333 -7.296 450 HA THR 45 HA THR 45 -1.667 -1.024 -9.155 451 HB THR 45 HB THR 45 0.078 -2.039 -10.421 452 HG1 THR 45 1HG THR 45 2.183 -2.031 -9.780 453 1HG2 THR 45 3HG2 THR 45 -0.280 0.333 -11.005 454 2HG2 THR 45 2HG2 THR 45 0.982 0.792 -9.860 455 3HG2 THR 45 1HG2 THR 45 1.391 -0.157 -11.292 456 QG2 THR 45 QG2 THR 45 0.698 0.323 -10.719 457 H TYR 46 H TYR 46 -2.337 -2.928 -8.282 458 HA TYR 46 HA TYR 46 -1.023 -3.859 -5.778 459 1HB TYR 46 2HB TYR 46 -3.388 -3.501 -5.630 460 2HB TYR 46 1HB TYR 46 -3.685 -4.383 -7.128 461 HD1 TYR 46 1HD TYR 46 -1.741 -5.081 -3.981 462 HD2 TYR 46 2HD TYR 46 -4.706 -6.452 -6.771 463 HE1 TYR 46 1HE TYR 46 -1.925 -7.220 -2.737 464 HE2 TYR 46 2HE TYR 46 -4.892 -8.586 -5.518 465 HH TYR 46 HH TYR 46 -4.377 -9.229 -2.899 466 QB TYR 46 QB TYR 46 -3.536 -3.942 -6.379 467 QG TYR 46 QD TYR 46 -3.224 -5.766 -5.376 468 QZ TYR 46 QE TYR 46 -3.408 -7.903 -4.128 469 QR TYR 46 QR TYR 46 -3.316 -6.835 -4.752 470 H ASP 47 H ASP 47 0.196 -5.706 -5.769 471 HA ASP 47 HA ASP 47 0.346 -7.327 -8.271 472 1HB ASP 47 2HB ASP 47 2.106 -7.081 -5.807 473 2HB ASP 47 1HB ASP 47 2.458 -8.139 -7.171 474 QB ASP 47 QB ASP 47 2.282 -7.610 -6.489 475 H ASP 48 H ASP 48 -1.386 -8.769 -8.072 476 HA ASP 48 HA ASP 48 -2.188 -10.031 -5.602 477 1HB ASP 48 2HB ASP 48 -3.618 -9.624 -7.593 478 2HB ASP 48 1HB ASP 48 -2.679 -10.820 -8.487 479 QB ASP 48 QB ASP 48 -3.148 -10.222 -8.040 480 H ALA 49 H ALA 49 0.576 -10.603 -7.439 481 HA ALA 49 HA ALA 49 0.632 -13.530 -7.099 482 1HB ALA 49 1HB ALA 49 1.610 -11.856 -8.972 483 2HB ALA 49 3HB ALA 49 3.011 -11.912 -7.902 484 3HB ALA 49 2HB ALA 49 2.380 -13.400 -8.608 485 QB ALA 49 QB ALA 49 2.334 -12.390 -8.494 486 H THR 50 H THR 50 1.866 -10.603 -5.590 487 HA THR 50 HA THR 50 3.044 -12.276 -3.407 488 HB THR 50 HB THR 50 4.954 -10.686 -3.390 489 HG1 THR 50 1HG THR 50 4.727 -8.897 -4.430 490 1HG2 THR 50 3HG2 THR 50 4.737 -12.803 -4.919 491 2HG2 THR 50 2HG2 THR 50 4.662 -11.623 -6.226 492 3HG2 THR 50 1HG2 THR 50 6.078 -11.685 -5.176 493 QG2 THR 50 QG2 THR 50 5.159 -12.037 -5.440 494 H LYS 51 H LYS 51 0.579 -10.332 -4.027 495 HA LYS 51 HA LYS 51 -0.637 -8.708 -2.863 496 1HB LYS 51 2HB LYS 51 0.799 -10.428 -0.871 497 2HB LYS 51 1HB LYS 51 -0.258 -9.130 -0.305 498 1HG LYS 51 2HG LYS 51 -1.713 -10.991 -0.512 499 2HG LYS 51 1HG LYS 51 -1.967 -10.057 -1.987 500 1HD LYS 51 2HD LYS 51 -1.051 -11.617 -3.324 501 2HD LYS 51 1HD LYS 51 0.199 -12.044 -2.153 502 1HE LYS 51 2HE LYS 51 -1.176 -13.583 -1.043 503 2HE LYS 51 1HE LYS 51 -2.667 -12.799 -1.602 504 1HZ LYS 51 1HZ LYS 51 -1.944 -13.394 -3.908 505 2HZ LYS 51 3HZ LYS 51 -0.735 -14.365 -3.222 506 3HZ LYS 51 2HZ LYS 51 -2.371 -14.720 -2.936 507 QB LYS 51 QB LYS 51 0.271 -9.779 -0.588 508 QG LYS 51 QG LYS 51 -1.840 -10.524 -1.250 509 QD LYS 51 QD LYS 51 -0.426 -11.831 -2.738 510 QE LYS 51 QE LYS 51 -1.922 -13.191 -1.323 511 QZ LYS 51 QZ LYS 51 -1.683 -14.160 -3.355 512 H THR 52 H THR 52 1.733 -7.655 -3.954 513 HA THR 52 HA THR 52 2.576 -5.692 -1.837 514 HB THR 52 HB THR 52 4.106 -6.623 -4.287 515 HG1 THR 52 1HG THR 52 5.316 -7.786 -2.642 516 1HG2 THR 52 3HG2 THR 52 4.643 -4.375 -3.229 517 2HG2 THR 52 2HG2 THR 52 5.109 -5.263 -1.778 518 3HG2 THR 52 1HG2 THR 52 5.983 -5.520 -3.288 519 QG2 THR 52 QG2 THR 52 5.245 -5.053 -2.765 520 H PHE 53 H PHE 53 1.546 -3.767 -2.269 521 HA PHE 53 HA PHE 53 0.514 -3.093 -4.894 522 1HB PHE 53 2HB PHE 53 0.810 -1.659 -2.249 523 2HB PHE 53 1HB PHE 53 0.058 -0.888 -3.648 524 HD1 PHE 53 2HD PHE 53 -0.183 -3.817 -1.337 525 HD2 PHE 53 1HD PHE 53 -2.190 -1.427 -4.304 526 HE1 PHE 53 2HE PHE 53 -2.323 -4.966 -0.823 527 HE2 PHE 53 1HE PHE 53 -4.313 -2.582 -3.781 528 1HZ PHE 53 HZ PHE 53 -4.381 -4.349 -2.051 529 QB PHE 53 QB PHE 53 0.434 -1.274 -2.948 530 QG PHE 53 QD PHE 53 -1.186 -2.622 -2.820 531 QZ PHE 53 QE PHE 53 -3.318 -3.774 -2.302 532 QZ PHE 53 QR PHE 53 -2.678 -3.428 -2.459 533 H THR 54 H THR 54 1.195 -0.472 -5.477 534 HA THR 54 HA THR 54 4.120 -0.131 -5.272 535 HB THR 54 HB THR 54 2.934 -0.239 -8.032 536 HG1 THR 54 1HG THR 54 3.586 -2.479 -8.061 537 1HG2 THR 54 2HG2 THR 54 5.605 -0.373 -6.730 538 2HG2 THR 54 1HG2 THR 54 5.391 -1.301 -8.214 539 3HG2 THR 54 3HG2 THR 54 5.116 0.441 -8.216 540 QG2 THR 54 QG2 THR 54 5.371 -0.411 -7.720 541 H VAL 55 H VAL 55 3.692 1.888 -4.383 542 HA VAL 55 HA VAL 55 1.917 3.706 -5.910 543 HB VAL 55 HB VAL 55 1.348 3.530 -3.602 544 1HG1 VAL 55 2HG1 VAL 55 4.286 4.013 -3.063 545 2HG1 VAL 55 1HG1 VAL 55 3.037 4.127 -1.821 546 3HG1 VAL 55 3HG1 VAL 55 3.313 2.592 -2.644 547 1HG2 VAL 55 3HG2 VAL 55 1.308 5.834 -4.518 548 2HG2 VAL 55 2HG2 VAL 55 1.634 5.820 -2.784 549 3HG2 VAL 55 1HG2 VAL 55 2.951 6.082 -3.928 550 QG1 VAL 55 QG1 VAL 55 3.545 3.577 -2.509 551 QG2 VAL 55 QG2 VAL 55 1.964 5.912 -3.743 552 QQG VAL 55 QQG VAL 55 2.755 4.745 -3.126 553 H THR 56 H THR 56 3.107 4.479 -7.575 554 HA THR 56 HA THR 56 5.868 5.402 -7.304 555 HB THR 56 HB THR 56 3.703 5.222 -9.383 556 HG1 THR 56 1HG THR 56 5.261 4.033 -10.404 557 1HG2 THR 56 1HG2 THR 56 6.206 6.898 -9.736 558 2HG2 THR 56 3HG2 THR 56 5.131 6.399 -11.043 559 3HG2 THR 56 2HG2 THR 56 4.540 7.481 -9.781 560 QG2 THR 56 QG2 THR 56 5.293 6.926 -10.187 561 H GLU 57 H GLU 57 6.318 7.795 -7.965 562 HA GLU 57 HA GLU 57 4.283 9.592 -6.677 563 1HB GLU 57 2HB GLU 57 6.360 9.150 -5.359 564 2HB GLU 57 1HB GLU 57 7.317 9.786 -6.698 565 1HG GLU 57 2HG GLU 57 5.592 11.836 -6.387 566 2HG GLU 57 1HG GLU 57 5.617 11.231 -4.731 567 QB GLU 57 QB GLU 57 6.838 9.468 -6.029 568 QG GLU 57 QG GLU 57 5.604 11.534 -5.559 No H/Q in entry = 568 Start of MODEL 40 1 1H MET 1 2HT MET 1 -0.882 -16.225 4.729 2 2H MET 1 1HT MET 1 -1.026 -16.829 6.310 3 3H MET 1 3HT MET 1 -2.418 -16.450 5.418 4 HA MET 1 HA MET 1 -2.037 -14.695 7.007 5 1HB MET 1 2HB MET 1 0.707 -15.149 5.918 6 2HB MET 1 1HB MET 1 0.305 -13.511 6.435 7 1HG MET 1 2HG MET 1 -0.312 -15.865 8.209 8 2HG MET 1 1HG MET 1 1.302 -15.152 8.196 9 1HE MET 1 1HE MET 1 -0.405 -15.480 10.619 10 2HE MET 1 3HE MET 1 -1.315 -14.090 11.225 11 3HE MET 1 2HE MET 1 -1.998 -15.112 9.964 12 QB MET 1 QB MET 1 0.506 -14.330 6.177 13 QG MET 1 QG MET 1 0.495 -15.508 8.202 14 QE MET 1 QE MET 1 -1.240 -14.894 10.603 15 H THR 2 H THR 2 -1.801 -12.276 6.346 16 HA THR 2 HA THR 2 -2.260 -11.897 3.411 17 HB THR 2 HB THR 2 -3.935 -10.786 5.688 18 HG1 THR 2 1HG THR 2 -4.405 -12.861 3.816 19 1HG2 THR 2 3HG2 THR 2 -3.793 -10.288 2.772 20 2HG2 THR 2 2HG2 THR 2 -5.415 -10.540 3.415 21 3HG2 THR 2 1HG2 THR 2 -4.400 -9.253 4.065 22 QG2 THR 2 QG2 THR 2 -4.536 -10.027 3.417 23 H THR 3 H THR 3 0.140 -11.289 4.841 24 HA THR 3 HA THR 3 0.202 -8.512 5.696 25 HB THR 3 HB THR 3 2.422 -10.354 4.746 26 HG1 THR 3 1HG THR 3 1.800 -11.437 6.432 27 1HG2 THR 3 2HG2 THR 3 2.614 -7.704 5.258 28 2HG2 THR 3 1HG2 THR 3 2.818 -8.340 6.890 29 3HG2 THR 3 3HG2 THR 3 3.913 -8.847 5.604 30 QG2 THR 3 QG2 THR 3 3.115 -8.297 5.917 31 H PHE 4 H PHE 4 -0.581 -7.156 4.038 32 HA PHE 4 HA PHE 4 0.264 -7.411 1.260 33 1HB PHE 4 2HB PHE 4 -1.247 -5.401 2.933 34 2HB PHE 4 1HB PHE 4 -0.877 -5.077 1.238 35 HD1 PHE 4 2HD PHE 4 -1.408 -7.094 -0.414 36 HD2 PHE 4 1HD PHE 4 -3.226 -6.519 3.432 37 HE1 PHE 4 2HE PHE 4 -3.310 -8.528 -1.099 38 HE2 PHE 4 1HE PHE 4 -5.125 -7.954 2.747 39 1HZ PHE 4 HZ PHE 4 -5.168 -8.961 0.482 40 QB PHE 4 QB PHE 4 -1.062 -5.239 2.085 41 QG PHE 4 QD PHE 4 -2.317 -6.806 1.509 42 QZ PHE 4 QE PHE 4 -4.217 -8.241 0.824 43 QZ PHE 4 QR PHE 4 -3.647 -7.811 1.030 44 H LYS 5 H LYS 5 2.210 -6.731 0.494 45 HA LYS 5 HA LYS 5 3.885 -4.904 2.120 46 1HB LYS 5 2HB LYS 5 4.265 -6.667 -0.306 47 2HB LYS 5 1HB LYS 5 5.515 -5.537 0.211 48 1HG LYS 5 2HG LYS 5 6.195 -7.324 1.470 49 2HG LYS 5 1HG LYS 5 4.971 -6.711 2.583 50 1HD LYS 5 2HD LYS 5 3.301 -8.207 1.373 51 2HD LYS 5 1HD LYS 5 4.684 -8.955 0.574 52 1HE LYS 5 2HE LYS 5 4.716 -8.694 3.569 53 2HE LYS 5 1HE LYS 5 3.778 -10.002 2.820 54 1HZ LYS 5 3HZ LYS 5 5.762 -10.530 1.473 55 2HZ LYS 5 2HZ LYS 5 6.647 -9.382 2.358 56 3HZ LYS 5 1HZ LYS 5 6.020 -10.758 3.133 57 QB LYS 5 QB LYS 5 4.890 -6.102 -0.047 58 QG LYS 5 QG LYS 5 5.583 -7.018 2.027 59 QD LYS 5 QD LYS 5 3.992 -8.581 0.973 60 QE LYS 5 QE LYS 5 4.247 -9.348 3.195 61 QZ LYS 5 QZ LYS 5 6.143 -10.223 2.321 62 H LEU 6 H LEU 6 5.096 -3.168 0.809 63 HA LEU 6 HA LEU 6 3.561 -2.093 -1.491 64 1HB LEU 6 2HB LEU 6 2.439 -1.242 0.528 65 2HB LEU 6 1HB LEU 6 3.978 -0.657 1.153 66 HG LEU 6 HG LEU 6 4.072 0.654 -1.141 67 1HD1 LEU 6 2HD1 LEU 6 1.171 -0.097 -0.820 68 2HD1 LEU 6 1HD1 LEU 6 1.641 1.389 -1.645 69 3HD1 LEU 6 3HD1 LEU 6 2.174 -0.172 -2.269 70 1HD2 LEU 6 2HD2 LEU 6 3.495 1.346 1.439 71 2HD2 LEU 6 1HD2 LEU 6 3.594 2.499 0.109 72 3HD2 LEU 6 3HD2 LEU 6 2.026 1.871 0.617 73 QB LEU 6 QB LEU 6 3.209 -0.949 0.840 74 QD1 LEU 6 QD1 LEU 6 1.662 0.374 -1.578 75 QD2 LEU 6 QD2 LEU 6 3.038 1.905 0.722 76 QQD LEU 6 QQD LEU 6 2.350 1.139 -0.428 77 H ILE 7 H ILE 7 5.312 -2.033 -2.866 78 HA ILE 7 HA ILE 7 7.934 -1.011 -1.933 79 HB ILE 7 HB ILE 7 6.869 -2.128 -4.556 80 1HG1 ILE 7 2HG1 ILE 7 8.890 -3.387 -2.702 81 2HG1 ILE 7 1HG1 ILE 7 7.160 -3.597 -2.433 82 1HG2 ILE 7 3HG2 ILE 7 9.625 -1.180 -3.747 83 2HG2 ILE 7 2HG2 ILE 7 9.385 -2.340 -5.054 84 3HG2 ILE 7 1HG2 ILE 7 8.688 -0.723 -5.170 85 1HD1 ILE 7 3HD1 ILE 7 7.164 -4.218 -5.009 86 2HD1 ILE 7 2HD1 ILE 7 8.859 -4.587 -4.692 87 3HD1 ILE 7 1HD1 ILE 7 7.592 -5.425 -3.796 88 QG1 ILE 7 QG1 ILE 7 8.025 -3.492 -2.567 89 QG2 ILE 7 QG2 ILE 7 9.233 -1.414 -4.657 90 QD1 ILE 7 QD1 ILE 7 7.872 -4.743 -4.499 91 H ILE 8 H ILE 8 8.332 1.191 -2.102 92 HA ILE 8 HA ILE 8 6.488 2.760 -3.804 93 HB ILE 8 HB ILE 8 8.549 3.668 -1.762 94 1HG1 ILE 8 2HG1 ILE 8 6.497 4.245 -0.411 95 2HG1 ILE 8 1HG1 ILE 8 5.525 3.406 -1.605 96 1HG2 ILE 8 2HG2 ILE 8 7.881 5.276 -3.646 97 2HG2 ILE 8 1HG2 ILE 8 6.246 5.225 -2.974 98 3HG2 ILE 8 3HG2 ILE 8 7.584 5.855 -2.012 99 1HD1 ILE 8 3HD1 ILE 8 7.805 1.960 -0.344 100 2HD1 ILE 8 2HD1 ILE 8 6.304 2.155 0.564 101 3HD1 ILE 8 1HD1 ILE 8 6.295 1.336 -0.999 102 QG1 ILE 8 QG1 ILE 8 6.011 3.826 -1.008 103 QG2 ILE 8 QG2 ILE 8 7.237 5.452 -2.877 104 QD1 ILE 8 QD1 ILE 8 6.801 1.817 -0.260 105 H ASN 9 H ASN 9 7.183 3.383 -5.830 106 HA ASN 9 HA ASN 9 10.004 3.023 -6.590 107 1HB ASN 9 2HB ASN 9 7.919 4.353 -8.316 108 2HB ASN 9 1HB ASN 9 9.225 3.288 -8.802 109 1HD2 ASN 9 2HD2 ASN 9 5.725 1.612 -8.654 110 2HD2 ASN 9 1HD2 ASN 9 6.111 3.199 -9.126 111 QB ASN 9 QB ASN 9 8.572 3.821 -8.559 112 QD2 ASN 9 QD2 ASN 9 5.918 2.405 -8.890 113 H GLY 10 H GLY 10 10.183 5.234 -8.431 114 1HA GLY 10 2HA GLY 10 10.990 7.438 -8.459 115 2HA GLY 10 1HA GLY 10 9.639 7.790 -7.382 116 QA GLY 10 QA GLY 10 10.314 7.614 -7.921 117 H LYS 11 H LYS 11 10.532 9.026 -5.787 118 HA LYS 11 HA LYS 11 12.691 7.797 -4.143 119 1HB LYS 11 2HB LYS 11 13.901 9.977 -4.180 120 2HB LYS 11 1HB LYS 11 13.779 9.261 -5.787 121 1HG LYS 11 2HG LYS 11 11.851 10.707 -6.299 122 2HG LYS 11 1HG LYS 11 11.943 11.412 -4.683 123 1HD LYS 11 2HD LYS 11 13.165 12.976 -5.885 124 2HD LYS 11 1HD LYS 11 14.455 11.881 -5.390 125 1HE LYS 11 2HE LYS 11 14.780 11.091 -7.524 126 2HE LYS 11 1HE LYS 11 13.055 11.193 -7.929 127 1HZ LYS 11 2HZ LYS 11 13.247 13.613 -7.926 128 2HZ LYS 11 1HZ LYS 11 14.911 13.493 -7.606 129 3HZ LYS 11 3HZ LYS 11 14.288 12.922 -9.077 130 QB LYS 11 QB LYS 11 13.840 9.619 -4.984 131 QG LYS 11 QG LYS 11 11.897 11.060 -5.491 132 QD LYS 11 QD LYS 11 13.810 12.428 -5.638 133 QE LYS 11 QE LYS 11 13.918 11.142 -7.727 134 QZ LYS 11 QZ LYS 11 14.149 13.343 -8.203 135 H THR 12 H THR 12 9.710 8.441 -3.882 136 HA THR 12 HA THR 12 9.337 10.633 -2.084 137 HB THR 12 HB THR 12 7.563 8.377 -1.587 138 HG1 THR 12 1HG THR 12 7.875 9.167 -4.289 139 1HG2 THR 12 3HG2 THR 12 7.405 11.174 -2.640 140 2HG2 THR 12 2HG2 THR 12 6.025 10.100 -2.869 141 3HG2 THR 12 1HG2 THR 12 6.604 10.456 -1.242 142 QG2 THR 12 QG2 THR 12 6.678 10.577 -2.250 143 H LEU 13 H LEU 13 9.108 7.215 -1.140 144 HA LEU 13 HA LEU 13 10.705 7.872 1.304 145 1HB LEU 13 2HB LEU 13 9.087 6.536 2.599 146 2HB LEU 13 1HB LEU 13 8.266 7.841 1.741 147 HG LEU 13 HG LEU 13 7.898 6.084 -0.121 148 1HD1 LEU 13 3HD1 LEU 13 9.201 4.484 1.912 149 2HD1 LEU 13 2HD1 LEU 13 7.567 3.878 1.642 150 3HD1 LEU 13 1HD1 LEU 13 8.694 4.004 0.294 151 1HD2 LEU 13 1HD2 LEU 13 6.272 7.113 1.649 152 2HD2 LEU 13 3HD2 LEU 13 5.763 5.677 0.761 153 3HD2 LEU 13 2HD2 LEU 13 6.370 5.526 2.408 154 QB LEU 13 QB LEU 13 8.676 7.189 2.170 155 QD1 LEU 13 QD1 LEU 13 8.488 4.122 1.283 156 QD2 LEU 13 QD2 LEU 13 6.135 6.106 1.606 157 QQD LEU 13 QQD LEU 13 7.311 5.114 1.444 158 H LYS 14 H LYS 14 9.835 5.473 -1.137 159 HA LYS 14 HA LYS 14 10.839 3.437 -1.752 160 1HB LYS 14 2HB LYS 14 13.005 5.131 -0.537 161 2HB LYS 14 1HB LYS 14 13.380 3.486 -1.052 162 1HG LYS 14 2HG LYS 14 11.894 5.321 -2.910 163 2HG LYS 14 1HG LYS 14 13.646 5.460 -2.762 164 1HD LYS 14 2HD LYS 14 12.565 2.710 -3.093 165 2HD LYS 14 1HD LYS 14 12.466 3.767 -4.502 166 1HE LYS 14 2HE LYS 14 15.073 3.931 -3.149 167 2HE LYS 14 1HE LYS 14 14.710 2.312 -3.778 168 1HZ LYS 14 3HZ LYS 14 13.983 3.410 -5.867 169 2HZ LYS 14 2HZ LYS 14 14.579 4.881 -5.263 170 3HZ LYS 14 1HZ LYS 14 15.639 3.586 -5.551 171 QB LYS 14 QB LYS 14 13.193 4.308 -0.794 172 QG LYS 14 QG LYS 14 12.770 5.390 -2.836 173 QD LYS 14 QD LYS 14 12.515 3.239 -3.798 174 QE LYS 14 QE LYS 14 14.891 3.122 -3.463 175 QZ LYS 14 QZ LYS 14 14.734 3.959 -5.560 176 H GLY 15 H GLY 15 9.784 1.857 -0.523 177 1HA GLY 15 2HA GLY 15 11.276 0.477 1.486 178 2HA GLY 15 1HA GLY 15 10.041 1.456 2.276 179 QA GLY 15 QA GLY 15 10.658 0.966 1.881 180 H GLU 16 H GLU 16 9.629 -1.046 2.770 181 HA GLU 16 HA GLU 16 7.644 -2.085 0.767 182 1HB GLU 16 2HB GLU 16 9.478 -3.420 2.779 183 2HB GLU 16 1HB GLU 16 8.212 -4.288 1.909 184 1HG GLU 16 2HG GLU 16 9.263 -4.015 -0.163 185 2HG GLU 16 1HG GLU 16 10.201 -2.625 0.386 186 QB GLU 16 QB GLU 16 8.845 -3.854 2.344 187 QG GLU 16 QG GLU 16 9.732 -3.320 0.111 188 H ILE 17 H ILE 17 8.351 -1.570 4.207 189 HA ILE 17 HA ILE 17 6.958 -1.254 6.064 190 HB ILE 17 HB ILE 17 4.776 -1.028 3.969 191 1HG1 ILE 17 2HG1 ILE 17 5.641 1.514 4.948 192 2HG1 ILE 17 1HG1 ILE 17 7.090 0.628 4.478 193 1HG2 ILE 17 3HG2 ILE 17 4.124 -1.301 6.407 194 2HG2 ILE 17 2HG2 ILE 17 4.946 0.229 6.712 195 3HG2 ILE 17 1HG2 ILE 17 3.552 0.177 5.634 196 1HD1 ILE 17 1HD1 ILE 17 4.834 0.422 2.580 197 2HD1 ILE 17 3HD1 ILE 17 5.537 2.030 2.731 198 3HD1 ILE 17 2HD1 ILE 17 6.551 0.664 2.265 199 QG1 ILE 17 QG1 ILE 17 6.366 1.071 4.713 200 QG2 ILE 17 QG2 ILE 17 4.207 -0.298 6.251 201 QD1 ILE 17 QD1 ILE 17 5.640 1.039 2.525 202 H THR 18 H THR 18 5.035 -3.225 3.742 203 HA THR 18 HA THR 18 3.936 -5.280 4.030 204 HB THR 18 HB THR 18 5.201 -6.973 5.070 205 HG1 THR 18 1HG THR 18 5.742 -6.663 7.040 206 1HG2 THR 18 3HG2 THR 18 6.506 -5.216 3.436 207 2HG2 THR 18 2HG2 THR 18 7.571 -5.234 4.842 208 3HG2 THR 18 1HG2 THR 18 7.189 -6.739 4.007 209 QG2 THR 18 QG2 THR 18 7.089 -5.730 4.095 210 H ILE 19 H ILE 19 1.931 -4.976 4.857 211 HA ILE 19 HA ILE 19 1.649 -4.961 7.837 212 HB ILE 19 HB ILE 19 -0.044 -3.165 7.609 213 1HG1 ILE 19 2HG1 ILE 19 0.360 -2.017 5.143 214 2HG1 ILE 19 1HG1 ILE 19 0.411 -3.732 4.740 215 1HG2 ILE 19 3HG2 ILE 19 2.624 -2.864 7.667 216 2HG2 ILE 19 2HG2 ILE 19 2.298 -2.068 6.127 217 3HG2 ILE 19 1HG2 ILE 19 1.525 -1.486 7.602 218 1HD1 ILE 19 3HD1 ILE 19 -1.738 -3.860 6.254 219 2HD1 ILE 19 2HD1 ILE 19 -1.841 -2.131 5.918 220 3HD1 ILE 19 1HD1 ILE 19 -1.874 -3.291 4.590 221 QG1 ILE 19 QG1 ILE 19 0.386 -2.874 4.942 222 QG2 ILE 19 QG2 ILE 19 2.149 -2.139 7.132 223 QD1 ILE 19 QD1 ILE 19 -1.818 -3.094 5.587 224 H GLU 20 H GLU 20 -0.032 -6.240 8.559 225 HA GLU 20 HA GLU 20 -1.463 -7.908 6.600 226 1HB GLU 20 2HB GLU 20 -0.392 -8.596 8.836 227 2HB GLU 20 1HB GLU 20 -1.772 -7.813 9.609 228 1HG GLU 20 2HG GLU 20 -3.116 -9.303 7.836 229 2HG GLU 20 1HG GLU 20 -1.677 -10.312 7.982 230 QB GLU 20 QB GLU 20 -1.082 -8.204 9.223 231 QG GLU 20 QG GLU 20 -2.397 -9.807 7.909 232 H ALA 21 H ALA 21 -3.800 -8.004 6.478 233 HA ALA 21 HA ALA 21 -5.444 -6.057 7.929 234 1HB ALA 21 2HB ALA 21 -4.243 -4.745 6.161 235 2HB ALA 21 1HB ALA 21 -4.995 -5.774 4.942 236 3HB ALA 21 3HB ALA 21 -5.994 -4.733 5.954 237 QB ALA 21 QB ALA 21 -5.077 -5.084 5.686 238 H VAL 22 H VAL 22 -7.759 -6.184 7.103 239 HA VAL 22 HA VAL 22 -8.739 -8.811 7.004 240 HB VAL 22 HB VAL 22 -10.033 -6.801 7.599 241 1HG1 VAL 22 2HG1 VAL 22 -8.924 -5.467 5.656 242 2HG1 VAL 22 1HG1 VAL 22 -10.224 -6.127 4.665 243 3HG1 VAL 22 3HG1 VAL 22 -10.605 -5.113 6.056 244 1HG2 VAL 22 3HG2 VAL 22 -11.042 -8.973 6.438 245 2HG2 VAL 22 2HG2 VAL 22 -12.065 -7.582 6.796 246 3HG2 VAL 22 1HG2 VAL 22 -11.445 -7.824 5.162 247 QG1 VAL 22 QG1 VAL 22 -9.918 -5.569 5.459 248 QG2 VAL 22 QG2 VAL 22 -11.517 -8.126 6.132 249 QQG VAL 22 QQG VAL 22 -10.717 -6.848 5.796 250 H ASP 23 H ASP 23 -7.981 -6.612 4.322 251 HA ASP 23 HA ASP 23 -7.641 -8.858 2.467 252 1HB ASP 23 2HB ASP 23 -10.085 -7.167 2.620 253 2HB ASP 23 1HB ASP 23 -9.454 -7.469 1.000 254 QB ASP 23 QB ASP 23 -9.769 -7.318 1.810 255 H ALA 24 H ALA 24 -7.192 -7.818 0.164 256 HA ALA 24 HA ALA 24 -5.047 -5.947 0.443 257 1HB ALA 24 2HB ALA 24 -5.801 -7.677 -1.438 258 2HB ALA 24 1HB ALA 24 -6.560 -6.243 -2.130 259 3HB ALA 24 3HB ALA 24 -4.818 -6.269 -1.848 260 QB ALA 24 QB ALA 24 -5.726 -6.730 -1.805 261 H ALA 25 H ALA 25 -8.496 -5.531 -0.141 262 HA ALA 25 HA ALA 25 -8.584 -2.891 -1.135 263 1HB ALA 25 2HB ALA 25 -10.333 -4.789 0.294 264 2HB ALA 25 1HB ALA 25 -10.778 -3.096 0.507 265 3HB ALA 25 3HB ALA 25 -10.684 -3.787 -1.113 266 QB ALA 25 QB ALA 25 -10.598 -3.891 -0.104 267 H GLU 26 H GLU 26 -8.392 -4.079 2.212 268 HA GLU 26 HA GLU 26 -8.444 -1.426 3.419 269 1HB GLU 26 2HB GLU 26 -8.516 -4.193 4.192 270 2HB GLU 26 1HB GLU 26 -7.212 -3.417 5.089 271 1HG GLU 26 2HG GLU 26 -9.143 -1.523 5.332 272 2HG GLU 26 1HG GLU 26 -10.141 -2.975 5.249 273 QB GLU 26 QB GLU 26 -7.864 -3.805 4.640 274 QG GLU 26 QG GLU 26 -9.642 -2.249 5.291 275 H ALA 27 H ALA 27 -5.898 -3.839 2.709 276 HA ALA 27 HA ALA 27 -3.645 -2.460 3.736 277 1HB ALA 27 3HB ALA 27 -4.231 -4.517 1.687 278 2HB ALA 27 2HB ALA 27 -2.690 -3.679 1.478 279 3HB ALA 27 1HB ALA 27 -3.037 -4.533 2.984 280 QB ALA 27 QB ALA 27 -3.320 -4.243 2.050 281 H GLU 28 H GLU 28 -5.051 -2.291 0.441 282 HA GLU 28 HA GLU 28 -3.284 -0.325 -0.627 283 1HB GLU 28 2HB GLU 28 -5.130 -1.815 -1.712 284 2HB GLU 28 1HB GLU 28 -6.227 -0.506 -1.276 285 1HG GLU 28 2HG GLU 28 -4.534 1.057 -2.441 286 2HG GLU 28 1HG GLU 28 -3.859 -0.406 -3.157 287 QB GLU 28 QB GLU 28 -5.679 -1.160 -1.494 288 QG GLU 28 QG GLU 28 -4.196 0.325 -2.799 289 H LYS 29 H LYS 29 -6.227 -0.036 1.342 290 HA LYS 29 HA LYS 29 -6.440 2.856 1.152 291 1HB LYS 29 2HB LYS 29 -7.438 0.801 3.157 292 2HB LYS 29 1HB LYS 29 -7.962 2.485 3.123 293 1HG LYS 29 2HG LYS 29 -8.122 1.030 0.540 294 2HG LYS 29 1HG LYS 29 -9.250 0.505 1.790 295 1HD LYS 29 2HD LYS 29 -10.530 2.222 1.002 296 2HD LYS 29 1HD LYS 29 -9.484 3.209 2.022 297 1HE LYS 29 2HE LYS 29 -8.224 3.985 0.210 298 2HE LYS 29 1HE LYS 29 -8.625 2.579 -0.796 299 1HZ LYS 29 2HZ LYS 29 -10.974 3.327 -0.719 300 2HZ LYS 29 1HZ LYS 29 -10.462 4.755 0.047 301 3HZ LYS 29 3HZ LYS 29 -9.950 4.412 -1.533 302 QB LYS 29 QB LYS 29 -7.700 1.643 3.140 303 QG LYS 29 QG LYS 29 -8.686 0.768 1.165 304 QD LYS 29 QD LYS 29 -10.007 2.716 1.512 305 QE LYS 29 QE LYS 29 -8.424 3.282 -0.293 306 QZ LYS 29 QZ LYS 29 -10.462 4.165 -0.735 307 H ILE 30 H ILE 30 -5.195 0.643 3.683 308 HA ILE 30 HA ILE 30 -4.173 2.625 5.471 309 HB ILE 30 HB ILE 30 -3.188 -0.184 4.831 310 1HG1 ILE 30 2HG1 ILE 30 -4.946 0.534 7.156 311 2HG1 ILE 30 1HG1 ILE 30 -5.678 0.315 5.566 312 1HG2 ILE 30 1HG2 ILE 30 -1.832 1.590 6.333 313 2HG2 ILE 30 3HG2 ILE 30 -2.969 1.017 7.553 314 3HG2 ILE 30 2HG2 ILE 30 -1.900 -0.124 6.739 315 1HD1 ILE 30 1HD1 ILE 30 -3.729 -1.767 6.407 316 2HD1 ILE 30 3HD1 ILE 30 -5.262 -1.735 7.281 317 3HD1 ILE 30 2HD1 ILE 30 -5.251 -1.936 5.529 318 QG1 ILE 30 QG1 ILE 30 -5.312 0.425 6.361 319 QG2 ILE 30 QG2 ILE 30 -2.234 0.828 6.875 320 QD1 ILE 30 QD1 ILE 30 -4.747 -1.813 6.406 321 H PHE 31 H PHE 31 -2.818 1.055 2.611 322 HA PHE 31 HA PHE 31 -0.178 2.268 2.841 323 1HB PHE 31 2HB PHE 31 -1.754 0.661 0.848 324 2HB PHE 31 1HB PHE 31 -0.276 1.457 0.311 325 HD1 PHE 31 2HD PHE 31 1.576 1.285 2.458 326 HD2 PHE 31 1HD PHE 31 -1.372 -1.601 1.260 327 HE1 PHE 31 2HE PHE 31 2.929 -0.518 3.483 328 HE2 PHE 31 1HE PHE 31 -0.014 -3.407 2.289 329 1HZ PHE 31 HZ PHE 31 2.136 -2.862 3.401 330 QB PHE 31 QB PHE 31 -1.015 1.059 0.580 331 QG PHE 31 QD PHE 31 0.102 -0.158 1.859 332 QZ PHE 31 QE PHE 31 1.457 -1.962 2.886 333 QZ PHE 31 QR PHE 31 1.051 -1.421 2.578 334 H LYS 32 H LYS 32 -3.163 2.973 1.037 335 HA LYS 32 HA LYS 32 -2.053 5.232 -0.381 336 1HB LYS 32 2HB LYS 32 -4.786 4.060 0.039 337 2HB LYS 32 1HB LYS 32 -4.573 5.576 -0.833 338 1HG LYS 32 2HG LYS 32 -3.063 4.508 -2.421 339 2HG LYS 32 1HG LYS 32 -3.155 2.988 -1.533 340 1HD LYS 32 2HD LYS 32 -4.670 2.873 -3.432 341 2HD LYS 32 1HD LYS 32 -5.627 2.957 -1.954 342 1HE LYS 32 2HE LYS 32 -4.970 5.608 -3.065 343 2HE LYS 32 1HE LYS 32 -5.986 4.615 -4.128 344 1HZ LYS 32 2HZ LYS 32 -6.469 5.044 -1.225 345 2HZ LYS 32 1HZ LYS 32 -7.306 5.836 -2.474 346 3HZ LYS 32 3HZ LYS 32 -7.454 4.157 -2.287 347 QB LYS 32 QB LYS 32 -4.679 4.818 -0.397 348 QG LYS 32 QG LYS 32 -3.109 3.748 -1.977 349 QD LYS 32 QD LYS 32 -5.149 2.915 -2.693 350 QE LYS 32 QE LYS 32 -5.478 5.112 -3.596 351 QZ LYS 32 QZ LYS 32 -7.076 5.012 -1.996 352 H GLN 33 H GLN 33 -2.710 4.929 2.864 353 HA GLN 33 HA GLN 33 -3.684 7.769 3.134 354 1HB GLN 33 2HB GLN 33 -4.997 6.002 4.296 355 2HB GLN 33 1HB GLN 33 -3.527 5.426 5.082 356 1HG GLN 33 2HG GLN 33 -3.301 7.853 5.969 357 2HG GLN 33 1HG GLN 33 -5.001 8.016 5.528 358 1HE2 GLN 33 2HE2 GLN 33 -4.250 6.416 9.038 359 2HE2 GLN 33 1HE2 GLN 33 -3.271 7.527 8.208 360 QB GLN 33 QB GLN 33 -4.262 5.714 4.689 361 QG GLN 33 QG GLN 33 -4.151 7.935 5.749 362 QE2 GLN 33 QE2 GLN 33 -3.761 6.972 8.623 363 H TYR 34 H TYR 34 -1.439 5.324 4.190 364 HA TYR 34 HA TYR 34 0.475 6.750 5.694 365 1HB TYR 34 2HB TYR 34 0.461 4.385 5.604 366 2HB TYR 34 1HB TYR 34 0.289 4.370 3.845 367 HD1 TYR 34 2HD TYR 34 2.663 5.008 6.662 368 HD2 TYR 34 1HD TYR 34 2.247 4.334 2.441 369 HE1 TYR 34 2HE TYR 34 5.119 4.734 6.464 370 HE2 TYR 34 1HE TYR 34 4.703 4.059 2.242 371 HH TYR 34 HH TYR 34 6.740 3.708 4.981 372 QB TYR 34 QB TYR 34 0.375 4.378 4.724 373 QG TYR 34 QD TYR 34 2.455 4.671 4.551 374 QZ TYR 34 QE TYR 34 4.911 4.397 4.353 375 QR TYR 34 QR TYR 34 3.683 4.534 4.452 376 H ALA 35 H ALA 35 -0.038 6.437 2.205 377 HA ALA 35 HA ALA 35 2.400 7.645 1.240 378 1HB ALA 35 2HB ALA 35 -0.268 6.834 0.264 379 2HB ALA 35 1HB ALA 35 0.403 8.229 -0.594 380 3HB ALA 35 3HB ALA 35 1.301 6.704 -0.537 381 QB ALA 35 QB ALA 35 0.479 7.256 -0.289 382 H ASN 36 H ASN 36 -0.912 8.984 1.331 383 HA ASN 36 HA ASN 36 -0.272 11.714 0.910 384 1HB ASN 36 2HB ASN 36 -2.515 10.297 2.369 385 2HB ASN 36 1HB ASN 36 -2.543 12.027 2.017 386 1HD2 ASN 36 2HD2 ASN 36 -3.212 9.343 -0.982 387 2HD2 ASN 36 1HD2 ASN 36 -2.757 8.813 0.565 388 QB ASN 36 QB ASN 36 -2.529 11.162 2.193 389 QD2 ASN 36 QD2 ASN 36 -2.984 9.078 -0.209 390 H ASP 37 H ASP 37 -0.594 9.882 3.949 391 HA ASP 37 HA ASP 37 -0.444 11.896 5.874 392 1HB ASP 37 2HB ASP 37 0.447 9.069 5.625 393 2HB ASP 37 1HB ASP 37 1.066 9.973 7.007 394 QB ASP 37 QB ASP 37 0.757 9.521 6.316 395 H ASN 38 H ASN 38 2.090 10.755 3.788 396 HA ASN 38 HA ASN 38 4.080 12.474 5.140 397 1HB ASN 38 2HB ASN 38 4.074 9.943 3.621 398 2HB ASN 38 1HB ASN 38 5.423 11.017 3.251 399 1HD2 ASN 38 2HD2 ASN 38 7.092 9.794 6.100 400 2HD2 ASN 38 1HD2 ASN 38 7.144 10.117 4.435 401 QB ASN 38 QB ASN 38 4.749 10.480 3.436 402 QD2 ASN 38 QD2 ASN 38 7.118 9.956 5.268 403 H GLY 39 H GLY 39 2.898 11.598 1.896 404 1HA GLY 39 2HA GLY 39 2.272 13.772 0.578 405 2HA GLY 39 1HA GLY 39 3.985 14.146 0.807 406 QA GLY 39 QA GLY 39 3.128 13.959 0.693 407 H ILE 40 H ILE 40 1.993 11.352 -0.206 408 HA ILE 40 HA ILE 40 4.058 10.735 -2.298 409 HB ILE 40 HB ILE 40 2.138 9.127 -0.645 410 1HG1 ILE 40 2HG1 ILE 40 4.605 10.234 0.043 411 2HG1 ILE 40 1HG1 ILE 40 3.771 8.962 0.912 412 1HG2 ILE 40 2HG2 ILE 40 2.482 8.139 -2.899 413 2HG2 ILE 40 1HG2 ILE 40 4.212 8.059 -2.561 414 3HG2 ILE 40 3HG2 ILE 40 3.078 7.116 -1.590 415 1HD1 ILE 40 1HD1 ILE 40 5.597 8.370 -1.403 416 2HD1 ILE 40 3HD1 ILE 40 6.209 8.521 0.252 417 3HD1 ILE 40 2HD1 ILE 40 5.024 7.270 -0.148 418 QG1 ILE 40 QG1 ILE 40 4.188 9.598 0.478 419 QG2 ILE 40 QG2 ILE 40 3.257 7.771 -2.350 420 QD1 ILE 40 QD1 ILE 40 5.610 8.054 -0.433 421 H ASP 41 H ASP 41 3.279 10.698 -4.415 422 HA ASP 41 HA ASP 41 0.550 9.983 -5.105 423 1HB ASP 41 2HB ASP 41 -0.127 12.272 -5.855 424 2HB ASP 41 1HB ASP 41 0.121 12.177 -4.113 425 QB ASP 41 QB ASP 41 -0.003 12.224 -4.984 426 H GLY 42 H GLY 42 1.319 8.762 -6.823 427 1HA GLY 42 2HA GLY 42 2.164 10.167 -9.225 428 2HA GLY 42 1HA GLY 42 3.449 9.180 -8.530 429 QA GLY 42 QA GLY 42 2.806 9.674 -8.878 430 H GLU 43 H GLU 43 2.117 6.945 -7.649 431 HA GLU 43 HA GLU 43 0.403 5.919 -9.843 432 1HB GLU 43 2HB GLU 43 2.842 5.781 -10.521 433 2HB GLU 43 1HB GLU 43 3.091 4.673 -9.167 434 1HG GLU 43 2HG GLU 43 1.806 2.990 -10.138 435 2HG GLU 43 1HG GLU 43 0.879 4.122 -11.124 436 QB GLU 43 QB GLU 43 2.967 5.227 -9.844 437 QG GLU 43 QG GLU 43 1.342 3.556 -10.631 438 H TRP 44 H TRP 44 -0.209 3.589 -9.376 439 HA TRP 44 HA TRP 44 0.175 2.526 -6.654 440 1HB TRP 44 2HB TRP 44 -2.319 3.959 -7.562 441 2HB TRP 44 1HB TRP 44 -2.471 2.558 -6.489 442 HD1 TRP 44 HD TRP 44 -1.557 6.195 -6.466 443 HE1 TRP 44 1HE TRP 44 -0.820 6.860 -4.082 444 HE3 TRP 44 3HE TRP 44 -1.276 1.577 -4.359 445 HZ2 TRP 44 2HZ TRP 44 -0.191 5.578 -1.596 446 HZ3 TRP 44 3HZ TRP 44 -0.607 1.318 -1.972 447 HH2 TRP 44 HH TRP 44 -0.060 3.312 -0.603 448 QB TRP 44 QB TRP 44 -2.395 3.258 -7.025 449 H THR 45 H THR 45 0.477 0.404 -7.198 450 HA THR 45 HA THR 45 -1.521 -0.878 -9.023 451 HB THR 45 HB THR 45 0.209 -1.912 -10.296 452 HG1 THR 45 1HG THR 45 1.656 -2.524 -8.794 453 1HG2 THR 45 1HG2 THR 45 -0.107 0.487 -10.823 454 2HG2 THR 45 3HG2 THR 45 1.177 0.889 -9.681 455 3HG2 THR 45 2HG2 THR 45 1.548 -0.038 -11.136 456 QG2 THR 45 QG2 THR 45 0.872 0.446 -10.547 457 H TYR 46 H TYR 46 -2.258 -2.762 -8.186 458 HA TYR 46 HA TYR 46 -0.991 -3.802 -5.701 459 1HB TYR 46 2HB TYR 46 -3.339 -3.337 -5.564 460 2HB TYR 46 1HB TYR 46 -3.663 -4.175 -7.081 461 HD1 TYR 46 2HD TYR 46 -1.818 -4.997 -3.906 462 HD2 TYR 46 1HD TYR 46 -4.751 -6.217 -6.798 463 HE1 TYR 46 2HE TYR 46 -2.130 -7.135 -2.689 464 HE2 TYR 46 1HE TYR 46 -5.054 -8.356 -5.583 465 HH TYR 46 HH TYR 46 -3.279 -9.745 -3.830 466 QB TYR 46 QB TYR 46 -3.501 -3.756 -6.323 467 QG TYR 46 QD TYR 46 -3.285 -5.607 -5.352 468 QZ TYR 46 QE TYR 46 -3.592 -7.746 -4.136 469 QR TYR 46 QR TYR 46 -3.438 -6.676 -4.744 470 H ASP 47 H ASP 47 0.195 -5.674 -5.758 471 HA ASP 47 HA ASP 47 0.279 -7.248 -8.286 472 1HB ASP 47 2HB ASP 47 2.267 -6.262 -6.819 473 2HB ASP 47 1HB ASP 47 2.015 -7.737 -5.886 474 QB ASP 47 QB ASP 47 2.141 -6.999 -6.353 475 H ASP 48 H ASP 48 -1.477 -8.648 -8.200 476 HA ASP 48 HA ASP 48 -2.436 -9.915 -5.781 477 1HB ASP 48 2HB ASP 48 -3.854 -11.152 -7.405 478 2HB ASP 48 1HB ASP 48 -3.835 -9.419 -7.733 479 QB ASP 48 QB ASP 48 -3.845 -10.285 -7.569 480 H ALA 49 H ALA 49 0.397 -10.558 -7.439 481 HA ALA 49 HA ALA 49 0.286 -13.500 -7.210 482 1HB ALA 49 3HB ALA 49 2.180 -11.415 -8.290 483 2HB ALA 49 2HB ALA 49 2.730 -13.074 -8.053 484 3HB ALA 49 1HB ALA 49 1.391 -12.737 -9.150 485 QB ALA 49 QB ALA 49 2.101 -12.409 -8.498 486 H THR 50 H THR 50 1.538 -10.677 -5.536 487 HA THR 50 HA THR 50 2.520 -12.457 -3.350 488 HB THR 50 HB THR 50 4.566 -11.052 -3.238 489 HG1 THR 50 1HG THR 50 4.896 -9.484 -4.733 490 1HG2 THR 50 1HG2 THR 50 4.233 -13.131 -4.786 491 2HG2 THR 50 3HG2 THR 50 4.298 -11.948 -6.091 492 3HG2 THR 50 2HG2 THR 50 5.669 -12.129 -4.995 493 QG2 THR 50 QG2 THR 50 4.734 -12.402 -5.291 494 H LYS 51 H LYS 51 0.247 -10.340 -4.022 495 HA LYS 51 HA LYS 51 -0.878 -8.631 -2.884 496 1HB LYS 51 2HB LYS 51 0.436 -10.391 -0.835 497 2HB LYS 51 1HB LYS 51 -0.570 -9.031 -0.323 498 1HG LYS 51 2HG LYS 51 -2.114 -10.815 -0.508 499 2HG LYS 51 1HG LYS 51 -2.282 -9.931 -2.024 500 1HD LYS 51 2HD LYS 51 -1.436 -11.592 -3.272 501 2HD LYS 51 1HD LYS 51 -0.211 -12.013 -2.073 502 1HE LYS 51 2HE LYS 51 -1.540 -13.881 -1.800 503 2HE LYS 51 1HE LYS 51 -2.482 -12.792 -0.760 504 1HZ LYS 51 3HZ LYS 51 -3.757 -12.110 -2.707 505 2HZ LYS 51 2HZ LYS 51 -2.883 -13.196 -3.679 506 3HZ LYS 51 1HZ LYS 51 -3.899 -13.779 -2.449 507 QB LYS 51 QB LYS 51 -0.067 -9.711 -0.579 508 QG LYS 51 QG LYS 51 -2.198 -10.373 -1.266 509 QD LYS 51 QD LYS 51 -0.823 -11.803 -2.672 510 QE LYS 51 QE LYS 51 -2.011 -13.337 -1.280 511 QZ LYS 51 QZ LYS 51 -3.513 -13.028 -2.945 512 H THR 52 H THR 52 1.513 -7.689 -3.975 513 HA THR 52 HA THR 52 2.534 -5.837 -1.837 514 HB THR 52 HB THR 52 3.900 -6.854 -4.351 515 HG1 THR 52 1HG THR 52 3.806 -8.549 -3.000 516 1HG2 THR 52 1HG2 THR 52 4.629 -4.949 -2.175 517 2HG2 THR 52 3HG2 THR 52 5.894 -6.016 -2.782 518 3HG2 THR 52 2HG2 THR 52 5.061 -4.921 -3.884 519 QG2 THR 52 QG2 THR 52 5.195 -5.295 -2.947 520 H PHE 53 H PHE 53 1.532 -3.879 -2.180 521 HA PHE 53 HA PHE 53 0.543 -3.036 -4.774 522 1HB PHE 53 2HB PHE 53 0.890 -1.739 -2.066 523 2HB PHE 53 1HB PHE 53 0.162 -0.885 -3.428 524 HD1 PHE 53 2HD PHE 53 -0.181 -3.845 -1.191 525 HD2 PHE 53 1HD PHE 53 -2.080 -1.377 -4.161 526 HE1 PHE 53 2HE PHE 53 -2.352 -4.948 -0.722 527 HE2 PHE 53 1HE PHE 53 -4.238 -2.492 -3.690 528 1HZ PHE 53 HZ PHE 53 -4.377 -4.275 -1.978 529 QB PHE 53 QB PHE 53 0.526 -1.312 -2.747 530 QG PHE 53 QD PHE 53 -1.130 -2.611 -2.676 531 QZ PHE 53 QE PHE 53 -3.295 -3.720 -2.206 532 QZ PHE 53 QR PHE 53 -2.646 -3.388 -2.349 533 H THR 54 H THR 54 1.322 -0.487 -5.332 534 HA THR 54 HA THR 54 4.238 -0.179 -5.010 535 HB THR 54 HB THR 54 3.173 -0.326 -7.819 536 HG1 THR 54 1HG THR 54 3.862 -2.568 -7.764 537 1HG2 THR 54 1HG2 THR 54 5.564 0.394 -6.888 538 2HG2 THR 54 3HG2 THR 54 5.828 -1.349 -6.922 539 3HG2 THR 54 2HG2 THR 54 5.395 -0.493 -8.402 540 QG2 THR 54 QG2 THR 54 5.596 -0.483 -7.404 541 H VAL 55 H VAL 55 4.171 1.958 -4.417 542 HA VAL 55 HA VAL 55 2.470 3.771 -6.073 543 HB VAL 55 HB VAL 55 1.577 3.442 -3.830 544 1HG1 VAL 55 3HG1 VAL 55 4.370 4.227 -2.960 545 2HG1 VAL 55 2HG1 VAL 55 2.982 4.144 -1.865 546 3HG1 VAL 55 1HG1 VAL 55 3.546 2.683 -2.684 547 1HG2 VAL 55 3HG2 VAL 55 2.968 6.118 -4.153 548 2HG2 VAL 55 2HG2 VAL 55 1.339 5.705 -4.685 549 3HG2 VAL 55 1HG2 VAL 55 1.707 5.796 -2.958 550 QG1 VAL 55 QG1 VAL 55 3.633 3.685 -2.503 551 QG2 VAL 55 QG2 VAL 55 2.005 5.873 -3.932 552 QQG VAL 55 QQG VAL 55 2.819 4.779 -3.218 553 H THR 56 H THR 56 3.391 5.631 -6.849 554 HA THR 56 HA THR 56 6.169 6.293 -5.949 555 HB THR 56 HB THR 56 6.040 4.825 -8.017 556 HG1 THR 56 1HG THR 56 7.725 6.473 -7.500 557 1HG2 THR 56 1HG2 THR 56 4.052 6.577 -8.801 558 2HG2 THR 56 3HG2 THR 56 5.430 7.044 -9.799 559 3HG2 THR 56 2HG2 THR 56 4.846 5.378 -9.821 560 QG2 THR 56 QG2 THR 56 4.776 6.333 -9.473 561 H GLU 57 H GLU 57 6.694 8.472 -7.475 562 HA GLU 57 HA GLU 57 4.325 10.282 -7.136 563 1HB GLU 57 2HB GLU 57 6.307 10.194 -5.359 564 2HB GLU 57 1HB GLU 57 7.113 11.214 -6.552 565 1HG GLU 57 2HG GLU 57 4.300 11.880 -5.773 566 2HG GLU 57 1HG GLU 57 5.604 12.293 -4.658 567 QB GLU 57 QB GLU 57 6.710 10.704 -5.955 568 QG GLU 57 QG GLU 57 4.952 12.087 -5.216 No H/Q in entry = 568 Start of MODEL 41 1 1H MET 1 3HT MET 1 -0.720 -16.063 6.540 2 2H MET 1 2HT MET 1 -1.348 -16.267 8.106 3 3H MET 1 1HT MET 1 -2.380 -15.853 6.821 4 HA MET 1 HA MET 1 -1.948 -13.903 8.184 5 1HB MET 1 2HB MET 1 0.826 -14.958 7.714 6 2HB MET 1 1HB MET 1 0.603 -13.234 8.018 7 1HG MET 1 2HG MET 1 -0.226 -13.584 10.172 8 2HG MET 1 1HG MET 1 -0.723 -15.239 9.819 9 1HE MET 1 2HE MET 1 0.138 -16.578 11.480 10 2HE MET 1 1HE MET 1 1.733 -16.533 12.227 11 3HE MET 1 3HE MET 1 0.601 -15.196 12.472 12 QB MET 1 QB MET 1 0.714 -14.096 7.866 13 QG MET 1 QG MET 1 -0.475 -14.412 9.996 14 QE MET 1 QE MET 1 0.824 -16.102 12.060 15 H THR 2 H THR 2 -2.431 -12.114 6.971 16 HA THR 2 HA THR 2 -2.028 -12.172 4.061 17 HB THR 2 HB THR 2 -3.263 -10.148 5.960 18 HG1 THR 2 1HG THR 2 -4.458 -12.106 4.300 19 1HG2 THR 2 3HG2 THR 2 -2.857 -10.212 3.036 20 2HG2 THR 2 2HG2 THR 2 -4.504 -9.844 3.547 21 3HG2 THR 2 1HG2 THR 2 -3.165 -8.839 4.100 22 QG2 THR 2 QG2 THR 2 -3.509 -9.632 3.561 23 H THR 3 H THR 3 -1.457 -9.492 6.363 24 HA THR 3 HA THR 3 0.215 -7.830 6.384 25 HB THR 3 HB THR 3 1.944 -10.153 5.501 26 HG1 THR 3 1HG THR 3 1.011 -11.041 7.182 27 1HG2 THR 3 2HG2 THR 3 2.603 -7.538 6.060 28 2HG2 THR 3 1HG2 THR 3 2.816 -8.315 7.632 29 3HG2 THR 3 3HG2 THR 3 3.701 -8.912 6.228 30 QG2 THR 3 QG2 THR 3 3.040 -8.255 6.640 31 H PHE 4 H PHE 4 -0.834 -6.892 4.367 32 HA PHE 4 HA PHE 4 0.302 -7.460 1.749 33 1HB PHE 4 2HB PHE 4 -1.568 -5.509 3.024 34 2HB PHE 4 1HB PHE 4 -0.888 -5.070 1.456 35 HD1 PHE 4 1HD PHE 4 -1.023 -6.819 -0.431 36 HD2 PHE 4 2HD PHE 4 -3.383 -7.013 3.150 37 HE1 PHE 4 1HE PHE 4 -2.603 -8.358 -1.556 38 HE2 PHE 4 2HE PHE 4 -4.966 -8.553 2.019 39 1HZ PHE 4 HZ PHE 4 -4.575 -9.225 -0.334 40 QB PHE 4 QB PHE 4 -1.228 -5.289 2.240 41 QG PHE 4 QD PHE 4 -2.203 -6.916 1.359 42 QZ PHE 4 QE PHE 4 -3.785 -8.456 0.231 43 QZ PHE 4 QR PHE 4 -3.310 -7.994 0.569 44 H LYS 5 H LYS 5 1.921 -6.283 0.658 45 HA LYS 5 HA LYS 5 3.549 -4.442 2.371 46 1HB LYS 5 2HB LYS 5 4.217 -6.145 -0.055 47 2HB LYS 5 1HB LYS 5 5.376 -5.140 0.814 48 1HG LYS 5 2HG LYS 5 5.456 -6.553 2.623 49 2HG LYS 5 1HG LYS 5 3.772 -7.046 2.444 50 1HD LYS 5 2HD LYS 5 4.716 -8.123 0.190 51 2HD LYS 5 1HD LYS 5 6.217 -8.132 1.117 52 1HE LYS 5 2HE LYS 5 5.397 -10.137 1.895 53 2HE LYS 5 1HE LYS 5 4.460 -9.095 2.983 54 1HZ LYS 5 3HZ LYS 5 3.582 -9.908 0.264 55 2HZ LYS 5 2HZ LYS 5 3.050 -10.644 1.699 56 3HZ LYS 5 1HZ LYS 5 2.684 -9.013 1.391 57 QB LYS 5 QB LYS 5 4.796 -5.643 0.379 58 QG LYS 5 QG LYS 5 4.614 -6.799 2.533 59 QD LYS 5 QD LYS 5 5.466 -8.128 0.653 60 QE LYS 5 QE LYS 5 4.929 -9.616 2.439 61 QZ LYS 5 QZ LYS 5 3.105 -9.855 1.118 62 H LEU 6 H LEU 6 4.952 -2.980 0.659 63 HA LEU 6 HA LEU 6 3.281 -1.966 -1.562 64 1HB LEU 6 2HB LEU 6 2.305 -0.894 0.387 65 2HB LEU 6 1HB LEU 6 3.895 -0.431 0.985 66 HG LEU 6 HG LEU 6 4.202 0.998 -1.040 67 1HD1 LEU 6 1HD1 LEU 6 2.591 -0.330 -2.458 68 2HD1 LEU 6 3HD1 LEU 6 1.274 0.418 -1.555 69 3HD1 LEU 6 2HD1 LEU 6 2.351 1.416 -2.532 70 1HD2 LEU 6 2HD2 LEU 6 3.144 1.780 1.171 71 2HD2 LEU 6 1HD2 LEU 6 2.850 2.790 -0.245 72 3HD2 LEU 6 3HD2 LEU 6 1.598 1.691 0.331 73 QB LEU 6 QB LEU 6 3.100 -0.662 0.686 74 QD1 LEU 6 QD1 LEU 6 2.072 0.501 -2.182 75 QD2 LEU 6 QD2 LEU 6 2.531 2.087 0.419 76 QQD LEU 6 QQD LEU 6 2.301 1.294 -0.881 77 H ILE 7 H ILE 7 4.777 -1.661 -3.165 78 HA ILE 7 HA ILE 7 7.606 -1.124 -2.507 79 HB ILE 7 HB ILE 7 6.092 -1.545 -5.112 80 1HG1 ILE 7 2HG1 ILE 7 8.032 -3.517 -3.992 81 2HG1 ILE 7 1HG1 ILE 7 6.465 -3.391 -3.191 82 1HG2 ILE 7 1HG2 ILE 7 8.932 -0.926 -4.475 83 2HG2 ILE 7 3HG2 ILE 7 8.661 -2.199 -5.667 84 3HG2 ILE 7 2HG2 ILE 7 8.006 -0.584 -5.937 85 1HD1 ILE 7 2HD1 ILE 7 5.553 -3.473 -5.678 86 2HD1 ILE 7 1HD1 ILE 7 7.100 -4.263 -5.985 87 3HD1 ILE 7 3HD1 ILE 7 5.968 -4.960 -4.827 88 QG1 ILE 7 QG1 ILE 7 7.248 -3.454 -3.591 89 QG2 ILE 7 QG2 ILE 7 8.533 -1.236 -5.360 90 QD1 ILE 7 QD1 ILE 7 6.207 -4.232 -5.497 91 H ILE 8 H ILE 8 7.988 1.008 -2.006 92 HA ILE 8 HA ILE 8 6.406 3.146 -3.254 93 HB ILE 8 HB ILE 8 8.874 3.446 -1.533 94 1HG1 ILE 8 2HG1 ILE 8 7.062 1.857 -0.521 95 2HG1 ILE 8 1HG1 ILE 8 7.639 3.182 0.467 96 1HG2 ILE 8 3HG2 ILE 8 6.752 5.188 -2.590 97 2HG2 ILE 8 2HG2 ILE 8 7.049 5.401 -0.866 98 3HG2 ILE 8 1HG2 ILE 8 8.371 5.595 -2.015 99 1HD1 ILE 8 1HD1 ILE 8 5.341 3.920 -1.190 100 2HD1 ILE 8 3HD1 ILE 8 4.990 2.607 -0.069 101 3HD1 ILE 8 2HD1 ILE 8 5.599 4.148 0.539 102 QG1 ILE 8 QG1 ILE 8 7.351 2.519 -0.027 103 QG2 ILE 8 QG2 ILE 8 7.391 5.395 -1.823 104 QD1 ILE 8 QD1 ILE 8 5.310 3.558 -0.240 105 H ASN 9 H ASN 9 6.959 3.550 -5.384 106 HA ASN 9 HA ASN 9 9.666 3.220 -6.412 107 1HB ASN 9 2HB ASN 9 7.022 4.238 -7.369 108 2HB ASN 9 1HB ASN 9 8.459 4.533 -8.341 109 1HD2 ASN 9 2HD2 ASN 9 7.290 1.370 -9.714 110 2HD2 ASN 9 1HD2 ASN 9 6.984 3.038 -9.853 111 QB ASN 9 QB ASN 9 7.740 4.386 -7.855 112 QD2 ASN 9 QD2 ASN 9 7.137 2.204 -9.784 113 H GLY 10 H GLY 10 7.761 5.844 -5.137 114 1HA GLY 10 2HA GLY 10 9.143 8.090 -6.144 115 2HA GLY 10 1HA GLY 10 8.301 8.061 -4.597 116 QA GLY 10 QA GLY 10 8.722 8.075 -5.370 117 H LYS 11 H LYS 11 10.633 9.536 -4.834 118 HA LYS 11 HA LYS 11 12.933 7.963 -3.910 119 1HB LYS 11 2HB LYS 11 14.051 10.132 -3.974 120 2HB LYS 11 1HB LYS 11 13.057 9.958 -5.416 121 1HG LYS 11 2HG LYS 11 11.232 11.161 -3.909 122 2HG LYS 11 1HG LYS 11 12.650 11.732 -3.034 123 1HD LYS 11 2HD LYS 11 12.903 13.332 -4.598 124 2HD LYS 11 1HD LYS 11 13.276 12.068 -5.768 125 1HE LYS 11 2HE LYS 11 11.441 12.956 -6.847 126 2HE LYS 11 1HE LYS 11 10.554 11.898 -5.730 127 1HZ LYS 11 1HZ LYS 11 10.521 13.705 -4.114 128 2HZ LYS 11 3HZ LYS 11 11.327 14.722 -5.206 129 3HZ LYS 11 2HZ LYS 11 9.758 14.174 -5.557 130 QB LYS 11 QB LYS 11 13.554 10.045 -4.695 131 QG LYS 11 QG LYS 11 11.941 11.447 -3.471 132 QD LYS 11 QD LYS 11 13.090 12.700 -5.183 133 QE LYS 11 QE LYS 11 10.998 12.427 -6.289 134 QZ LYS 11 QZ LYS 11 10.535 14.200 -4.959 135 H THR 12 H THR 12 10.441 10.008 -2.463 136 HA THR 12 HA THR 12 11.578 10.532 0.082 137 HB THR 12 HB THR 12 9.066 10.461 0.744 138 HG1 THR 12 1HG THR 12 7.748 9.722 -0.702 139 1HG2 THR 12 3HG2 THR 12 10.299 12.499 0.032 140 2HG2 THR 12 2HG2 THR 12 9.916 12.119 -1.646 141 3HG2 THR 12 1HG2 THR 12 8.622 12.511 -0.512 142 QG2 THR 12 QG2 THR 12 9.612 12.376 -0.709 143 H LEU 13 H LEU 13 10.092 7.609 -1.198 144 HA LEU 13 HA LEU 13 10.940 6.129 1.261 145 1HB LEU 13 2HB LEU 13 8.257 6.620 0.156 146 2HB LEU 13 1HB LEU 13 8.589 4.913 0.431 147 HG LEU 13 HG LEU 13 9.047 7.055 2.518 148 1HD1 LEU 13 1HD1 LEU 13 6.646 5.353 1.851 149 2HD1 LEU 13 3HD1 LEU 13 6.944 5.866 3.514 150 3HD1 LEU 13 2HD1 LEU 13 6.708 7.072 2.252 151 1HD2 LEU 13 3HD2 LEU 13 10.292 4.813 2.606 152 2HD2 LEU 13 2HD2 LEU 13 9.331 5.222 4.027 153 3HD2 LEU 13 1HD2 LEU 13 8.714 4.064 2.849 154 QB LEU 13 QB LEU 13 8.423 5.767 0.293 155 QD1 LEU 13 QD1 LEU 13 6.766 6.097 2.539 156 QD2 LEU 13 QD2 LEU 13 9.446 4.699 3.161 157 QQD LEU 13 QQD LEU 13 8.106 5.398 2.850 158 H LYS 14 H LYS 14 11.716 4.028 0.767 159 HA LYS 14 HA LYS 14 11.401 3.006 -1.974 160 1HB LYS 14 2HB LYS 14 14.043 3.527 -0.586 161 2HB LYS 14 1HB LYS 14 13.864 2.744 -2.156 162 1HG LYS 14 2HG LYS 14 12.542 4.884 -2.820 163 2HG LYS 14 1HG LYS 14 13.316 5.608 -1.410 164 1HD LYS 14 2HD LYS 14 14.850 6.100 -3.107 165 2HD LYS 14 1HD LYS 14 15.513 4.608 -2.438 166 1HE LYS 14 2HE LYS 14 13.858 3.524 -4.264 167 2HE LYS 14 1HE LYS 14 14.188 5.070 -5.071 168 1HZ LYS 14 2HZ LYS 14 16.297 3.347 -3.886 169 2HZ LYS 14 1HZ LYS 14 15.870 3.306 -5.530 170 3HZ LYS 14 3HZ LYS 14 16.517 4.723 -4.858 171 QB LYS 14 QB LYS 14 13.953 3.135 -1.371 172 QG LYS 14 QG LYS 14 12.929 5.246 -2.115 173 QD LYS 14 QD LYS 14 15.181 5.354 -2.773 174 QE LYS 14 QE LYS 14 14.023 4.297 -4.667 175 QZ LYS 14 QZ LYS 14 16.228 3.792 -4.758 176 H GLY 15 H GLY 15 10.146 1.312 -0.921 177 1HA GLY 15 2HA GLY 15 11.287 -1.119 -0.477 178 2HA GLY 15 1HA GLY 15 11.486 -0.359 1.101 179 QA GLY 15 QA GLY 15 11.386 -0.739 0.312 180 H GLU 16 H GLU 16 10.048 -2.185 1.778 181 HA GLU 16 HA GLU 16 7.155 -1.525 1.322 182 1HB GLU 16 2HB GLU 16 8.605 -4.158 1.717 183 2HB GLU 16 1HB GLU 16 6.847 -4.006 1.709 184 1HG GLU 16 2HG GLU 16 6.762 -3.491 -0.554 185 2HG GLU 16 1HG GLU 16 8.402 -2.841 -0.573 186 QB GLU 16 QB GLU 16 7.726 -4.082 1.713 187 QG GLU 16 QG GLU 16 7.582 -3.166 -0.563 188 H ILE 17 H ILE 17 5.808 -1.622 3.179 189 HA ILE 17 HA ILE 17 7.265 -1.525 5.784 190 HB ILE 17 HB ILE 17 4.514 -0.572 4.919 191 1HG1 ILE 17 2HG1 ILE 17 6.360 0.676 3.854 192 2HG1 ILE 17 1HG1 ILE 17 5.529 1.681 5.038 193 1HG2 ILE 17 1HG2 ILE 17 4.623 -1.096 7.329 194 2HG2 ILE 17 3HG2 ILE 17 6.054 -0.077 7.487 195 3HG2 ILE 17 2HG2 ILE 17 4.501 0.644 7.065 196 1HD1 ILE 17 1HD1 ILE 17 7.304 1.048 6.713 197 2HD1 ILE 17 3HD1 ILE 17 8.172 0.239 5.408 198 3HD1 ILE 17 2HD1 ILE 17 7.914 1.983 5.347 199 QG1 ILE 17 QG1 ILE 17 5.945 1.179 4.446 200 QG2 ILE 17 QG2 ILE 17 5.059 -0.176 7.294 201 QD1 ILE 17 QD1 ILE 17 7.796 1.090 5.823 202 H THR 18 H THR 18 5.072 -3.496 3.972 203 HA THR 18 HA THR 18 3.823 -5.411 4.493 204 HB THR 18 HB THR 18 4.958 -6.947 5.939 205 HG1 THR 18 1HG THR 18 6.253 -6.325 7.565 206 1HG2 THR 18 3HG2 THR 18 6.356 -5.440 4.004 207 2HG2 THR 18 2HG2 THR 18 7.462 -5.631 5.363 208 3HG2 THR 18 1HG2 THR 18 6.754 -7.053 4.596 209 QG2 THR 18 QG2 THR 18 6.857 -6.041 4.654 210 H ILE 19 H ILE 19 1.786 -4.939 5.165 211 HA ILE 19 HA ILE 19 1.367 -4.458 8.092 212 HB ILE 19 HB ILE 19 -0.315 -2.744 7.491 213 1HG1 ILE 19 2HG1 ILE 19 0.133 -2.005 4.906 214 2HG1 ILE 19 1HG1 ILE 19 0.293 -3.753 4.762 215 1HG2 ILE 19 3HG2 ILE 19 2.158 -2.217 7.816 216 2HG2 ILE 19 2HG2 ILE 19 2.281 -2.146 6.058 217 3HG2 ILE 19 1HG2 ILE 19 1.232 -1.017 6.915 218 1HD1 ILE 19 1HD1 ILE 19 -1.913 -3.777 6.205 219 2HD1 ILE 19 3HD1 ILE 19 -2.092 -2.132 5.594 220 3HD1 ILE 19 2HD1 ILE 19 -2.003 -3.488 4.467 221 QG1 ILE 19 QG1 ILE 19 0.213 -2.879 4.834 222 QG2 ILE 19 QG2 ILE 19 1.890 -1.793 6.930 223 QD1 ILE 19 QD1 ILE 19 -2.003 -3.132 5.422 224 H GLU 20 H GLU 20 -0.244 -5.709 8.945 225 HA GLU 20 HA GLU 20 -1.573 -7.713 7.291 226 1HB GLU 20 2HB GLU 20 -1.218 -6.990 10.137 227 2HB GLU 20 1HB GLU 20 -2.742 -7.797 9.774 228 1HG GLU 20 2HG GLU 20 -1.730 -9.779 9.280 229 2HG GLU 20 1HG GLU 20 -0.361 -8.996 8.489 230 QB GLU 20 QB GLU 20 -1.980 -7.393 9.955 231 QG GLU 20 QG GLU 20 -1.045 -9.387 8.885 232 H ALA 21 H ALA 21 -3.750 -7.750 6.671 233 HA ALA 21 HA ALA 21 -5.642 -5.714 7.660 234 1HB ALA 21 2HB ALA 21 -4.324 -5.700 4.959 235 2HB ALA 21 1HB ALA 21 -5.977 -5.101 5.112 236 3HB ALA 21 3HB ALA 21 -4.675 -4.343 6.030 237 QB ALA 21 QB ALA 21 -4.992 -5.048 5.367 238 H VAL 22 H VAL 22 -7.841 -6.135 6.828 239 HA VAL 22 HA VAL 22 -8.634 -8.827 6.803 240 HB VAL 22 HB VAL 22 -10.084 -6.888 7.252 241 1HG1 VAL 22 2HG1 VAL 22 -8.989 -5.568 5.294 242 2HG1 VAL 22 1HG1 VAL 22 -10.200 -6.359 4.286 243 3HG1 VAL 22 3HG1 VAL 22 -10.704 -5.314 5.614 244 1HG2 VAL 22 2HG2 VAL 22 -10.946 -8.623 4.918 245 2HG2 VAL 22 1HG2 VAL 22 -11.227 -8.930 6.632 246 3HG2 VAL 22 3HG2 VAL 22 -12.047 -7.590 5.830 247 QG1 VAL 22 QG1 VAL 22 -9.964 -5.747 5.065 248 QG2 VAL 22 QG2 VAL 22 -11.406 -8.381 5.794 249 QQG VAL 22 QQG VAL 22 -10.685 -7.064 5.429 250 H ASP 23 H ASP 23 -7.896 -6.693 4.062 251 HA ASP 23 HA ASP 23 -7.347 -9.004 2.326 252 1HB ASP 23 2HB ASP 23 -9.812 -7.303 2.187 253 2HB ASP 23 1HB ASP 23 -9.096 -7.851 0.671 254 QB ASP 23 QB ASP 23 -9.454 -7.577 1.429 255 H ALA 24 H ALA 24 -6.884 -7.996 -0.024 256 HA ALA 24 HA ALA 24 -4.767 -6.085 0.268 257 1HB ALA 24 1HB ALA 24 -5.569 -7.857 -1.624 258 2HB ALA 24 3HB ALA 24 -6.152 -6.360 -2.354 259 3HB ALA 24 2HB ALA 24 -4.441 -6.541 -1.963 260 QB ALA 24 QB ALA 24 -5.387 -6.919 -1.980 261 H ALA 25 H ALA 25 -8.204 -5.758 -0.435 262 HA ALA 25 HA ALA 25 -8.297 -3.137 -1.481 263 1HB ALA 25 2HB ALA 25 -10.130 -4.875 0.155 264 2HB ALA 25 1HB ALA 25 -10.618 -3.233 -0.268 265 3HB ALA 25 3HB ALA 25 -10.276 -4.408 -1.539 266 QB ALA 25 QB ALA 25 -10.341 -4.172 -0.551 267 H GLU 26 H GLU 26 -8.601 -4.205 1.917 268 HA GLU 26 HA GLU 26 -8.646 -1.559 3.057 269 1HB GLU 26 2HB GLU 26 -9.425 -3.651 4.158 270 2HB GLU 26 1HB GLU 26 -7.759 -4.230 4.209 271 1HG GLU 26 2HG GLU 26 -7.784 -3.267 6.286 272 2HG GLU 26 1HG GLU 26 -7.443 -1.798 5.371 273 QB GLU 26 QB GLU 26 -8.592 -3.940 4.184 274 QG GLU 26 QG GLU 26 -7.613 -2.533 5.829 275 H ALA 27 H ALA 27 -6.050 -3.883 2.355 276 HA ALA 27 HA ALA 27 -3.875 -2.514 3.596 277 1HB ALA 27 2HB ALA 27 -4.284 -4.498 1.398 278 2HB ALA 27 1HB ALA 27 -2.701 -3.722 1.500 279 3HB ALA 27 3HB ALA 27 -3.326 -4.641 2.871 280 QB ALA 27 QB ALA 27 -3.437 -4.287 1.923 281 H GLU 28 H GLU 28 -5.232 -2.270 0.301 282 HA GLU 28 HA GLU 28 -3.405 -0.353 -0.757 283 1HB GLU 28 2HB GLU 28 -5.280 -1.762 -1.865 284 2HB GLU 28 1HB GLU 28 -6.364 -0.462 -1.370 285 1HG GLU 28 2HG GLU 28 -4.703 1.135 -2.517 286 2HG GLU 28 1HG GLU 28 -4.012 -0.303 -3.269 287 QB GLU 28 QB GLU 28 -5.822 -1.112 -1.617 288 QG GLU 28 QG GLU 28 -4.357 0.416 -2.893 289 H LYS 29 H LYS 29 -6.332 0.020 1.232 290 HA LYS 29 HA LYS 29 -6.418 2.923 1.077 291 1HB LYS 29 2HB LYS 29 -7.549 0.860 2.997 292 2HB LYS 29 1HB LYS 29 -7.957 2.575 3.060 293 1HG LYS 29 2HG LYS 29 -8.311 1.866 0.365 294 2HG LYS 29 1HG LYS 29 -8.967 0.505 1.272 295 1HD LYS 29 2HD LYS 29 -10.825 1.899 1.190 296 2HD LYS 29 1HD LYS 29 -10.097 2.418 2.711 297 1HE LYS 29 2HE LYS 29 -10.423 4.479 1.641 298 2HE LYS 29 1HE LYS 29 -8.770 4.092 1.122 299 1HZ LYS 29 2HZ LYS 29 -9.791 2.894 -0.795 300 2HZ LYS 29 1HZ LYS 29 -11.290 3.562 -0.354 301 3HZ LYS 29 3HZ LYS 29 -10.018 4.578 -0.827 302 QB LYS 29 QB LYS 29 -7.753 1.717 3.028 303 QG LYS 29 QG LYS 29 -8.639 1.186 0.818 304 QD LYS 29 QD LYS 29 -10.461 2.158 1.951 305 QE LYS 29 QE LYS 29 -9.596 4.285 1.382 306 QZ LYS 29 QZ LYS 29 -10.366 3.678 -0.659 307 H ILE 30 H ILE 30 -5.287 0.608 3.560 308 HA ILE 30 HA ILE 30 -4.223 2.505 5.415 309 HB ILE 30 HB ILE 30 -3.372 -0.334 4.714 310 1HG1 ILE 30 2HG1 ILE 30 -5.224 0.644 6.908 311 2HG1 ILE 30 1HG1 ILE 30 -5.789 0.005 5.366 312 1HG2 ILE 30 2HG2 ILE 30 -1.950 1.376 6.287 313 2HG2 ILE 30 1HG2 ILE 30 -3.067 0.713 7.476 314 3HG2 ILE 30 3HG2 ILE 30 -2.016 -0.363 6.558 315 1HD1 ILE 30 3HD1 ILE 30 -3.966 -1.916 6.207 316 2HD1 ILE 30 2HD1 ILE 30 -4.760 -1.426 7.704 317 3HD1 ILE 30 1HD1 ILE 30 -5.720 -2.030 6.356 318 QG1 ILE 30 QG1 ILE 30 -5.506 0.325 6.137 319 QG2 ILE 30 QG2 ILE 30 -2.344 0.575 6.774 320 QD1 ILE 30 QD1 ILE 30 -4.815 -1.791 6.756 321 H PHE 31 H PHE 31 -2.942 1.067 2.464 322 HA PHE 31 HA PHE 31 -0.247 2.175 2.799 323 1HB PHE 31 2HB PHE 31 -1.807 0.576 0.800 324 2HB PHE 31 1HB PHE 31 -0.350 1.390 0.241 325 HD1 PHE 31 1HD PHE 31 1.546 1.248 2.351 326 HD2 PHE 31 2HD PHE 31 -1.398 -1.668 1.225 327 HE1 PHE 31 1HE PHE 31 2.940 -0.539 3.357 328 HE2 PHE 31 2HE PHE 31 -0.004 -3.460 2.233 329 1HZ PHE 31 HZ PHE 31 2.165 -2.891 3.299 330 QB PHE 31 QB PHE 31 -1.078 0.983 0.521 331 QG PHE 31 QD PHE 31 0.074 -0.210 1.788 332 QZ PHE 31 QE PHE 31 1.468 -2.000 2.795 333 QZ PHE 31 QR PHE 31 1.050 -1.462 2.493 334 H LYS 32 H LYS 32 -3.197 2.949 0.989 335 HA LYS 32 HA LYS 32 -2.045 5.197 -0.420 336 1HB LYS 32 2HB LYS 32 -4.792 4.062 0.006 337 2HB LYS 32 1HB LYS 32 -4.577 5.603 -0.818 338 1HG LYS 32 2HG LYS 32 -3.090 4.563 -2.457 339 2HG LYS 32 1HG LYS 32 -3.217 3.016 -1.623 340 1HD LYS 32 2HD LYS 32 -4.765 2.910 -3.446 341 2HD LYS 32 1HD LYS 32 -5.738 3.170 -1.998 342 1HE LYS 32 2HE LYS 32 -6.652 4.892 -3.202 343 2HE LYS 32 1HE LYS 32 -5.168 5.760 -2.764 344 1HZ LYS 32 1HZ LYS 32 -4.097 4.811 -4.730 345 2HZ LYS 32 3HZ LYS 32 -5.548 4.052 -5.168 346 3HZ LYS 32 2HZ LYS 32 -5.446 5.748 -5.159 347 QB LYS 32 QB LYS 32 -4.685 4.832 -0.406 348 QG LYS 32 QG LYS 32 -3.154 3.789 -2.040 349 QD LYS 32 QD LYS 32 -5.252 3.040 -2.722 350 QE LYS 32 QE LYS 32 -5.910 5.326 -2.983 351 QZ LYS 32 QZ LYS 32 -5.030 4.871 -5.019 352 H GLN 33 H GLN 33 -2.689 4.857 2.827 353 HA GLN 33 HA GLN 33 -3.568 7.721 3.145 354 1HB GLN 33 2HB GLN 33 -3.648 5.258 4.931 355 2HB GLN 33 1HB GLN 33 -4.028 6.877 5.516 356 1HG GLN 33 2HG GLN 33 -5.444 6.118 3.037 357 2HG GLN 33 1HG GLN 33 -5.871 5.147 4.446 358 1HE2 GLN 33 2HE2 GLN 33 -6.510 9.207 4.768 359 2HE2 GLN 33 1HE2 GLN 33 -5.138 8.657 3.933 360 QB GLN 33 QB GLN 33 -3.838 6.068 5.224 361 QG GLN 33 QG GLN 33 -5.657 5.633 3.742 362 QE2 GLN 33 QE2 GLN 33 -5.824 8.932 4.351 363 H TYR 34 H TYR 34 -1.437 5.163 4.182 364 HA TYR 34 HA TYR 34 0.470 6.442 5.806 365 1HB TYR 34 2HB TYR 34 0.399 4.091 5.537 366 2HB TYR 34 1HB TYR 34 0.311 4.212 3.776 367 HD1 TYR 34 1HD TYR 34 2.430 4.914 2.515 368 HD2 TYR 34 2HD TYR 34 2.467 3.910 6.691 369 HE1 TYR 34 1HE TYR 34 4.886 4.596 2.417 370 HE2 TYR 34 2HE TYR 34 4.925 3.594 6.594 371 HH TYR 34 HH TYR 34 6.837 4.529 5.042 372 QB TYR 34 QB TYR 34 0.355 4.151 4.657 373 QG TYR 34 QD TYR 34 2.448 4.412 4.603 374 QZ TYR 34 QE TYR 34 4.905 4.095 4.506 375 QR TYR 34 QR TYR 34 3.677 4.254 4.555 376 H ALA 35 H ALA 35 0.304 6.142 2.257 377 HA ALA 35 HA ALA 35 2.721 7.541 1.547 378 1HB ALA 35 3HB ALA 35 0.287 6.472 0.307 379 2HB ALA 35 2HB ALA 35 0.774 8.001 -0.437 380 3HB ALA 35 1HB ALA 35 1.904 6.643 -0.392 381 QB ALA 35 QB ALA 35 0.988 7.039 -0.174 382 H ASN 36 H ASN 36 -0.683 8.651 1.435 383 HA ASN 36 HA ASN 36 -0.239 11.408 0.986 384 1HB ASN 36 2HB ASN 36 -2.379 9.705 2.196 385 2HB ASN 36 1HB ASN 36 -2.534 11.457 2.301 386 1HD2 ASN 36 2HD2 ASN 36 -2.348 9.937 -1.524 387 2HD2 ASN 36 1HD2 ASN 36 -1.327 9.288 -0.335 388 QB ASN 36 QB ASN 36 -2.457 10.581 2.249 389 QD2 ASN 36 QD2 ASN 36 -1.837 9.613 -0.930 390 H ASP 37 H ASP 37 -0.603 9.666 4.074 391 HA ASP 37 HA ASP 37 -0.591 11.748 5.925 392 1HB ASP 37 2HB ASP 37 0.522 8.967 5.852 393 2HB ASP 37 1HB ASP 37 0.822 9.967 7.274 394 QB ASP 37 QB ASP 37 0.672 9.467 6.563 395 H ASN 38 H ASN 38 2.071 10.603 4.004 396 HA ASN 38 HA ASN 38 3.963 12.391 5.403 397 1HB ASN 38 2HB ASN 38 4.342 9.885 4.861 398 2HB ASN 38 1HB ASN 38 4.577 10.429 3.199 399 1HD2 ASN 38 2HD2 ASN 38 7.259 11.878 5.973 400 2HD2 ASN 38 1HD2 ASN 38 5.627 11.719 6.413 401 QB ASN 38 QB ASN 38 4.460 10.157 4.030 402 QD2 ASN 38 QD2 ASN 38 6.443 11.799 6.193 403 H GLY 39 H GLY 39 2.730 11.600 2.172 404 1HA GLY 39 2HA GLY 39 2.124 13.717 0.825 405 2HA GLY 39 1HA GLY 39 3.800 14.192 1.135 406 QA GLY 39 QA GLY 39 2.962 13.954 0.980 407 H ILE 40 H ILE 40 2.101 11.225 0.110 408 HA ILE 40 HA ILE 40 4.233 10.796 -1.968 409 HB ILE 40 HB ILE 40 2.476 8.987 -0.366 410 1HG1 ILE 40 2HG1 ILE 40 4.727 10.397 0.493 411 2HG1 ILE 40 1HG1 ILE 40 3.979 9.041 1.316 412 1HG2 ILE 40 1HG2 ILE 40 3.110 8.076 -2.578 413 2HG2 ILE 40 3HG2 ILE 40 4.804 8.198 -2.098 414 3HG2 ILE 40 2HG2 ILE 40 3.712 7.121 -1.220 415 1HD1 ILE 40 1HD1 ILE 40 6.048 8.666 -0.835 416 2HD1 ILE 40 3HD1 ILE 40 6.485 8.887 0.862 417 3HD1 ILE 40 2HD1 ILE 40 5.502 7.501 0.381 418 QG1 ILE 40 QG1 ILE 40 4.353 9.719 0.904 419 QG2 ILE 40 QG2 ILE 40 3.875 7.798 -1.965 420 QD1 ILE 40 QD1 ILE 40 6.012 8.351 0.136 421 H ASP 41 H ASP 41 3.399 9.752 -3.969 422 HA ASP 41 HA ASP 41 0.605 9.248 -4.474 423 1HB ASP 41 2HB ASP 41 0.185 11.274 -5.889 424 2HB ASP 41 1HB ASP 41 0.449 11.686 -4.198 425 QB ASP 41 QB ASP 41 0.317 11.480 -5.044 426 H GLY 42 H GLY 42 0.450 9.782 -7.167 427 1HA GLY 42 2HA GLY 42 1.830 9.618 -9.214 428 2HA GLY 42 1HA GLY 42 2.881 8.543 -8.318 429 QA GLY 42 QA GLY 42 2.355 9.081 -8.766 430 H GLU 43 H GLU 43 2.739 6.570 -9.121 431 HA GLU 43 HA GLU 43 0.234 5.584 -10.364 432 1HB GLU 43 2HB GLU 43 2.486 5.493 -11.460 433 2HB GLU 43 1HB GLU 43 3.030 4.397 -10.182 434 1HG GLU 43 2HG GLU 43 1.241 2.803 -10.810 435 2HG GLU 43 1HG GLU 43 0.724 3.890 -12.099 436 QB GLU 43 QB GLU 43 2.758 4.945 -10.821 437 QG GLU 43 QG GLU 43 0.982 3.346 -11.454 438 H TRP 44 H TRP 44 -1.156 4.641 -8.872 439 HA TRP 44 HA TRP 44 -0.020 2.928 -6.709 440 1HB TRP 44 2HB TRP 44 -2.563 4.407 -7.237 441 2HB TRP 44 1HB TRP 44 -2.668 2.929 -6.266 442 HD1 TRP 44 HD TRP 44 -1.399 6.491 -6.134 443 HE1 TRP 44 1HE TRP 44 -0.447 6.937 -3.776 444 HE3 TRP 44 3HE TRP 44 -1.517 1.760 -4.266 445 HZ2 TRP 44 2HZ TRP 44 0.188 5.459 -1.408 446 HZ3 TRP 44 3HZ TRP 44 -0.727 1.298 -1.951 447 HH2 TRP 44 HH TRP 44 0.128 3.145 -0.530 448 QB TRP 44 QB TRP 44 -2.616 3.668 -6.751 449 H THR 45 H THR 45 0.227 0.844 -7.181 450 HA THR 45 HA THR 45 -1.822 -0.477 -8.941 451 HB THR 45 HB THR 45 -0.074 -1.579 -10.143 452 HG1 THR 45 1HG THR 45 1.465 -2.228 -8.878 453 1HG2 THR 45 1HG2 THR 45 -0.277 0.833 -10.724 454 2HG2 THR 45 3HG2 THR 45 0.994 1.194 -9.555 455 3HG2 THR 45 2HG2 THR 45 1.357 0.218 -10.981 456 QG2 THR 45 QG2 THR 45 0.691 0.748 -10.420 457 H TYR 46 H TYR 46 -1.929 -2.844 -8.548 458 HA TYR 46 HA TYR 46 -1.001 -3.588 -5.796 459 1HB TYR 46 2HB TYR 46 -3.371 -3.206 -5.727 460 2HB TYR 46 1HB TYR 46 -3.625 -4.078 -7.243 461 HD1 TYR 46 2HD TYR 46 -1.836 -4.763 -4.014 462 HD2 TYR 46 1HD TYR 46 -4.632 -6.171 -6.952 463 HE1 TYR 46 2HE TYR 46 -2.080 -6.881 -2.762 464 HE2 TYR 46 1HE TYR 46 -4.867 -8.303 -5.703 465 HH TYR 46 HH TYR 46 -4.464 -8.890 -2.986 466 QB TYR 46 QB TYR 46 -3.498 -3.642 -6.485 467 QG TYR 46 QD TYR 46 -3.234 -5.467 -5.483 468 QZ TYR 46 QE TYR 46 -3.473 -7.592 -4.232 469 QR TYR 46 QR TYR 46 -3.354 -6.530 -4.858 470 H ASP 47 H ASP 47 0.043 -5.569 -5.685 471 HA ASP 47 HA ASP 47 0.310 -7.117 -8.232 472 1HB ASP 47 2HB ASP 47 2.301 -6.037 -7.034 473 2HB ASP 47 1HB ASP 47 2.047 -7.221 -5.754 474 QB ASP 47 QB ASP 47 2.174 -6.629 -6.394 475 H ASP 48 H ASP 48 -1.409 -8.577 -8.088 476 HA ASP 48 HA ASP 48 -2.235 -9.884 -5.646 477 1HB ASP 48 2HB ASP 48 -3.603 -11.227 -7.231 478 2HB ASP 48 1HB ASP 48 -3.703 -9.501 -7.573 479 QB ASP 48 QB ASP 48 -3.653 -10.364 -7.402 480 H ALA 49 H ALA 49 0.553 -10.380 -7.475 481 HA ALA 49 HA ALA 49 0.663 -13.311 -7.102 482 1HB ALA 49 2HB ALA 49 1.510 -11.661 -9.065 483 2HB ALA 49 1HB ALA 49 2.969 -11.692 -8.075 484 3HB ALA 49 3HB ALA 49 2.306 -13.195 -8.717 485 QB ALA 49 QB ALA 49 2.262 -12.182 -8.619 486 H THR 50 H THR 50 1.878 -10.330 -5.691 487 HA THR 50 HA THR 50 3.358 -11.955 -3.652 488 HB THR 50 HB THR 50 5.021 -10.102 -3.656 489 HG1 THR 50 1HG THR 50 4.831 -8.574 -5.359 490 1HG2 THR 50 1HG2 THR 50 4.916 -12.155 -5.351 491 2HG2 THR 50 3HG2 THR 50 4.747 -10.855 -6.531 492 3HG2 THR 50 2HG2 THR 50 6.166 -10.917 -5.486 493 QG2 THR 50 QG2 THR 50 5.276 -11.309 -5.789 494 H LYS 51 H LYS 51 0.667 -10.143 -4.081 495 HA LYS 51 HA LYS 51 -0.675 -8.811 -2.671 496 1HB LYS 51 2HB LYS 51 1.161 -10.126 -0.636 497 2HB LYS 51 1HB LYS 51 -0.375 -9.348 -0.258 498 1HG LYS 51 2HG LYS 51 -0.362 -11.456 -2.379 499 2HG LYS 51 1HG LYS 51 -0.233 -11.973 -0.699 500 1HD LYS 51 2HD LYS 51 -2.260 -10.549 -0.197 501 2HD LYS 51 1HD LYS 51 -2.435 -10.302 -1.934 502 1HE LYS 51 2HE LYS 51 -3.183 -12.444 -2.295 503 2HE LYS 51 1HE LYS 51 -2.126 -13.128 -1.043 504 1HZ LYS 51 1HZ LYS 51 -3.530 -11.946 0.616 505 2HZ LYS 51 3HZ LYS 51 -4.613 -11.559 -0.630 506 3HZ LYS 51 2HZ LYS 51 -4.346 -13.185 -0.213 507 QB LYS 51 QB LYS 51 0.393 -9.737 -0.447 508 QG LYS 51 QG LYS 51 -0.297 -11.715 -1.539 509 QD LYS 51 QD LYS 51 -2.348 -10.425 -1.066 510 QE LYS 51 QE LYS 51 -2.654 -12.786 -1.669 511 QZ LYS 51 QZ LYS 51 -4.163 -12.230 -0.076 512 H THR 52 H THR 52 1.533 -7.483 -3.874 513 HA THR 52 HA THR 52 2.268 -5.502 -1.732 514 HB THR 52 HB THR 52 3.910 -6.192 -4.177 515 HG1 THR 52 1HG THR 52 3.910 -7.371 -1.601 516 1HG2 THR 52 3HG2 THR 52 4.436 -4.825 -1.534 517 2HG2 THR 52 2HG2 THR 52 5.735 -5.378 -2.590 518 3HG2 THR 52 1HG2 THR 52 4.601 -4.152 -3.155 519 QG2 THR 52 QG2 THR 52 4.924 -4.785 -2.426 520 H PHE 53 H PHE 53 1.861 -3.351 -2.258 521 HA PHE 53 HA PHE 53 0.543 -2.819 -4.866 522 1HB PHE 53 2HB PHE 53 0.756 -1.387 -2.213 523 2HB PHE 53 1HB PHE 53 -0.001 -0.640 -3.617 524 HD1 PHE 53 2HD PHE 53 -0.164 -3.579 -1.328 525 HD2 PHE 53 1HD PHE 53 -2.221 -1.219 -4.280 526 HE1 PHE 53 2HE PHE 53 -2.279 -4.778 -0.814 527 HE2 PHE 53 1HE PHE 53 -4.322 -2.421 -3.766 528 1HZ PHE 53 HZ PHE 53 -4.354 -4.198 -2.038 529 QB PHE 53 QB PHE 53 0.377 -1.014 -2.915 530 QG PHE 53 QD PHE 53 -1.192 -2.399 -2.804 531 QZ PHE 53 QE PHE 53 -3.301 -3.599 -2.290 532 QZ PHE 53 QR PHE 53 -2.668 -3.239 -2.445 533 H THR 54 H THR 54 1.110 -0.058 -5.191 534 HA THR 54 HA THR 54 4.037 0.292 -5.083 535 HB THR 54 HB THR 54 2.564 0.344 -7.728 536 HG1 THR 54 1HG THR 54 2.439 -1.748 -7.192 537 1HG2 THR 54 3HG2 THR 54 5.365 0.652 -6.783 538 2HG2 THR 54 2HG2 THR 54 5.135 -0.240 -8.287 539 3HG2 THR 54 1HG2 THR 54 4.546 1.416 -8.143 540 QG2 THR 54 QG2 THR 54 5.015 0.609 -7.738 541 H VAL 55 H VAL 55 4.583 2.538 -5.806 542 HA VAL 55 HA VAL 55 2.416 4.445 -6.307 543 HB VAL 55 HB VAL 55 1.989 4.065 -3.981 544 1HG1 VAL 55 2HG1 VAL 55 4.108 2.948 -3.435 545 2HG1 VAL 55 1HG1 VAL 55 4.946 4.509 -3.470 546 3HG1 VAL 55 3HG1 VAL 55 3.706 4.195 -2.250 547 1HG2 VAL 55 2HG2 VAL 55 2.025 6.462 -4.669 548 2HG2 VAL 55 1HG2 VAL 55 2.420 6.240 -2.955 549 3HG2 VAL 55 3HG2 VAL 55 3.702 6.562 -4.132 550 QG1 VAL 55 QG1 VAL 55 4.253 3.884 -3.052 551 QG2 VAL 55 QG2 VAL 55 2.716 6.421 -3.919 552 QQG VAL 55 QQG VAL 55 3.484 5.153 -3.485 553 H THR 56 H THR 56 3.687 5.192 -8.044 554 HA THR 56 HA THR 56 6.380 6.294 -7.328 555 HB THR 56 HB THR 56 6.042 4.410 -9.019 556 HG1 THR 56 1HG THR 56 7.661 5.299 -10.355 557 1HG2 THR 56 2HG2 THR 56 4.201 5.985 -10.209 558 2HG2 THR 56 1HG2 THR 56 5.620 6.321 -11.188 559 3HG2 THR 56 3HG2 THR 56 5.063 4.659 -10.991 560 QG2 THR 56 QG2 THR 56 4.961 5.655 -10.796 561 H GLU 57 H GLU 57 5.718 8.342 -6.588 562 HA GLU 57 HA GLU 57 3.852 10.136 -7.704 563 1HB GLU 57 2HB GLU 57 5.069 10.405 -5.572 564 2HB GLU 57 1HB GLU 57 6.570 10.687 -6.453 565 1HG GLU 57 2HG GLU 57 4.555 12.468 -7.481 566 2HG GLU 57 1HG GLU 57 4.579 12.600 -5.724 567 QB GLU 57 QB GLU 57 5.819 10.546 -6.012 568 QG GLU 57 QG GLU 57 4.567 12.534 -6.603 No H/Q in entry = 568 Start of MODEL 42 1 1H MET 1 1HT MET 1 -1.097 -16.052 4.678 2 2H MET 1 3HT MET 1 -0.879 -16.674 6.239 3 3H MET 1 2HT MET 1 -2.428 -16.210 5.720 4 HA MET 1 HA MET 1 -1.661 -14.479 7.135 5 1HB MET 1 2HB MET 1 0.595 -13.510 6.703 6 2HB MET 1 1HB MET 1 0.679 -15.231 7.073 7 1HG MET 1 2HG MET 1 1.006 -15.811 4.782 8 2HG MET 1 1HG MET 1 0.548 -14.199 4.233 9 1HE MET 1 1HE MET 1 2.894 -16.579 4.671 10 2HE MET 1 3HE MET 1 4.503 -15.854 4.795 11 3HE MET 1 2HE MET 1 3.569 -16.188 6.250 12 QB MET 1 QB MET 1 0.637 -14.370 6.888 13 QG MET 1 QG MET 1 0.777 -15.005 4.508 14 QE MET 1 QE MET 1 3.655 -16.207 5.239 15 H THR 2 H THR 2 -1.809 -12.170 6.578 16 HA THR 2 HA THR 2 -2.428 -11.661 3.687 17 HB THR 2 HB THR 2 -3.894 -10.604 6.124 18 HG1 THR 2 1HG THR 2 -5.449 -12.124 5.597 19 1HG2 THR 2 1HG2 THR 2 -4.068 -10.166 3.195 20 2HG2 THR 2 3HG2 THR 2 -5.602 -10.385 4.035 21 3HG2 THR 2 2HG2 THR 2 -4.508 -9.093 4.523 22 QG2 THR 2 QG2 THR 2 -4.726 -9.882 3.918 23 H THR 3 H THR 3 -0.017 -11.057 5.481 24 HA THR 3 HA THR 3 0.014 -8.225 6.049 25 HB THR 3 HB THR 3 2.326 -10.089 5.426 26 HG1 THR 3 1HG THR 3 1.973 -10.996 7.283 27 1HG2 THR 3 2HG2 THR 3 2.358 -7.395 5.930 28 2HG2 THR 3 1HG2 THR 3 2.518 -8.058 7.557 29 3HG2 THR 3 3HG2 THR 3 3.685 -8.494 6.309 30 QG2 THR 3 QG2 THR 3 2.854 -7.982 6.599 31 H PHE 4 H PHE 4 -0.569 -6.966 4.262 32 HA PHE 4 HA PHE 4 0.515 -7.461 1.588 33 1HB PHE 4 2HB PHE 4 -1.150 -5.307 2.910 34 2HB PHE 4 1HB PHE 4 -0.688 -5.224 1.210 35 HD1 PHE 4 1HD PHE 4 -1.156 -7.395 -0.202 36 HD2 PHE 4 2HD PHE 4 -3.105 -6.438 3.501 37 HE1 PHE 4 1HE PHE 4 -3.005 -8.943 -0.779 38 HE2 PHE 4 2HE PHE 4 -4.956 -7.981 2.923 39 1HZ PHE 4 HZ PHE 4 -4.906 -9.237 0.786 40 QB PHE 4 QB PHE 4 -0.919 -5.265 2.060 41 QG PHE 4 QD PHE 4 -2.130 -6.917 1.649 42 QZ PHE 4 QE PHE 4 -3.981 -8.462 1.072 43 QZ PHE 4 QR PHE 4 -3.426 -7.999 1.246 44 H LYS 5 H LYS 5 2.022 -6.104 0.497 45 HA LYS 5 HA LYS 5 3.716 -4.389 2.287 46 1HB LYS 5 2HB LYS 5 4.389 -6.028 -0.183 47 2HB LYS 5 1HB LYS 5 5.545 -5.057 0.728 48 1HG LYS 5 2HG LYS 5 5.073 -6.410 2.748 49 2HG LYS 5 1HG LYS 5 3.955 -7.401 1.811 50 1HD LYS 5 2HD LYS 5 6.831 -7.028 0.968 51 2HD LYS 5 1HD LYS 5 6.350 -8.303 2.088 52 1HE LYS 5 2HE LYS 5 4.673 -8.109 -0.347 53 2HE LYS 5 1HE LYS 5 6.350 -8.622 -0.623 54 1HZ LYS 5 3HZ LYS 5 6.082 -10.192 1.246 55 2HZ LYS 5 2HZ LYS 5 4.436 -9.778 1.335 56 3HZ LYS 5 1HZ LYS 5 5.049 -10.542 -0.054 57 QB LYS 5 QB LYS 5 4.967 -5.542 0.272 58 QG LYS 5 QG LYS 5 4.514 -6.906 2.280 59 QD LYS 5 QD LYS 5 6.590 -7.665 1.528 60 QE LYS 5 QE LYS 5 5.512 -8.366 -0.485 61 QZ LYS 5 QZ LYS 5 5.189 -10.171 0.842 62 H LEU 6 H LEU 6 4.970 -2.695 0.821 63 HA LEU 6 HA LEU 6 3.364 -1.782 -1.507 64 1HB LEU 6 2HB LEU 6 2.230 -0.870 0.452 65 2HB LEU 6 1HB LEU 6 3.749 -0.239 1.079 66 HG LEU 6 HG LEU 6 3.834 1.035 -1.231 67 1HD1 LEU 6 2HD1 LEU 6 0.908 0.349 -0.909 68 2HD1 LEU 6 1HD1 LEU 6 1.494 1.673 -1.916 69 3HD1 LEU 6 3HD1 LEU 6 1.943 0.012 -2.297 70 1HD2 LEU 6 2HD2 LEU 6 3.382 1.843 1.243 71 2HD2 LEU 6 1HD2 LEU 6 3.070 2.927 -0.113 72 3HD2 LEU 6 3HD2 LEU 6 1.736 2.061 0.648 73 QB LEU 6 QB LEU 6 2.990 -0.554 0.766 74 QD1 LEU 6 QD1 LEU 6 1.448 0.678 -1.707 75 QD2 LEU 6 QD2 LEU 6 2.729 2.277 0.593 76 QQD LEU 6 QQD LEU 6 2.089 1.477 -0.557 77 H ILE 7 H ILE 7 4.962 -1.471 -2.995 78 HA ILE 7 HA ILE 7 7.653 -0.544 -2.160 79 HB ILE 7 HB ILE 7 6.441 -1.388 -4.821 80 1HG1 ILE 7 2HG1 ILE 7 8.373 -2.915 -3.061 81 2HG1 ILE 7 1HG1 ILE 7 6.624 -3.113 -2.938 82 1HG2 ILE 7 1HG2 ILE 7 9.326 -0.908 -4.016 83 2HG2 ILE 7 3HG2 ILE 7 8.803 -1.588 -5.557 84 3HG2 ILE 7 2HG2 ILE 7 8.385 0.074 -5.140 85 1HD1 ILE 7 2HD1 ILE 7 8.004 -3.351 -5.604 86 2HD1 ILE 7 1HD1 ILE 7 7.941 -4.726 -4.501 87 3HD1 ILE 7 3HD1 ILE 7 6.447 -4.009 -5.104 88 QG1 ILE 7 QG1 ILE 7 7.498 -3.014 -3.000 89 QG2 ILE 7 QG2 ILE 7 8.838 -0.807 -4.905 90 QD1 ILE 7 QD1 ILE 7 7.464 -4.029 -5.070 91 H ILE 8 H ILE 8 7.810 1.687 -1.938 92 HA ILE 8 HA ILE 8 6.092 3.384 -3.653 93 HB ILE 8 HB ILE 8 7.852 3.988 -1.250 94 1HG1 ILE 8 2HG1 ILE 8 5.550 4.551 -0.275 95 2HG1 ILE 8 1HG1 ILE 8 4.864 3.752 -1.684 96 1HG2 ILE 8 1HG2 ILE 8 7.679 5.908 -2.860 97 2HG2 ILE 8 3HG2 ILE 8 5.921 5.812 -2.722 98 3HG2 ILE 8 2HG2 ILE 8 6.899 6.237 -1.313 99 1HD1 ILE 8 1HD1 ILE 8 6.928 2.344 -0.033 100 2HD1 ILE 8 3HD1 ILE 8 5.244 2.368 0.493 101 3HD1 ILE 8 2HD1 ILE 8 5.673 1.672 -1.070 102 QG1 ILE 8 QG1 ILE 8 5.207 4.151 -0.980 103 QG2 ILE 8 QG2 ILE 8 6.833 5.986 -2.298 104 QD1 ILE 8 QD1 ILE 8 5.948 2.128 -0.203 105 H ASN 9 H ASN 9 6.992 3.978 -5.600 106 HA ASN 9 HA ASN 9 9.964 4.282 -5.783 107 1HB ASN 9 2HB ASN 9 9.005 2.640 -7.279 108 2HB ASN 9 1HB ASN 9 7.747 3.757 -7.786 109 1HD2 ASN 9 2HD2 ASN 9 9.725 5.154 -10.347 110 2HD2 ASN 9 1HD2 ASN 9 8.183 4.985 -9.651 111 QB ASN 9 QB ASN 9 8.376 3.199 -7.533 112 QD2 ASN 9 QD2 ASN 9 8.954 5.069 -9.999 113 H GLY 10 H GLY 10 10.357 6.435 -5.243 114 1HA GLY 10 2HA GLY 10 9.732 8.500 -7.116 115 2HA GLY 10 1HA GLY 10 8.651 8.646 -5.729 116 QA GLY 10 QA GLY 10 9.192 8.573 -6.422 117 H LYS 11 H LYS 11 9.439 9.562 -3.867 118 HA LYS 11 HA LYS 11 12.353 9.762 -3.401 119 1HB LYS 11 2HB LYS 11 12.228 12.251 -3.346 120 2HB LYS 11 1HB LYS 11 11.842 11.610 -4.942 121 1HG LYS 11 2HG LYS 11 9.397 11.727 -4.301 122 2HG LYS 11 1HG LYS 11 9.889 12.589 -2.843 123 1HD LYS 11 2HD LYS 11 11.064 14.259 -4.335 124 2HD LYS 11 1HD LYS 11 10.303 13.461 -5.714 125 1HE LYS 11 2HE LYS 11 8.687 15.073 -5.296 126 2HE LYS 11 1HE LYS 11 8.112 13.825 -4.173 127 1HZ LYS 11 3HZ LYS 11 9.563 14.794 -2.464 128 2HZ LYS 11 2HZ LYS 11 9.989 16.042 -3.536 129 3HZ LYS 11 1HZ LYS 11 8.386 15.895 -2.991 130 QB LYS 11 QB LYS 11 12.035 11.930 -4.144 131 QG LYS 11 QG LYS 11 9.643 12.158 -3.572 132 QD LYS 11 QD LYS 11 10.683 13.860 -5.024 133 QE LYS 11 QE LYS 11 8.399 14.449 -4.735 134 QZ LYS 11 QZ LYS 11 9.312 15.577 -2.997 135 H THR 12 H THR 12 9.941 8.624 -2.031 136 HA THR 12 HA THR 12 10.335 9.962 0.602 137 HB THR 12 HB THR 12 7.729 9.565 0.788 138 HG1 THR 12 1HG THR 12 6.743 9.831 -1.232 139 1HG2 THR 12 1HG2 THR 12 9.169 11.751 0.643 140 2HG2 THR 12 3HG2 THR 12 8.533 11.836 -1.000 141 3HG2 THR 12 2HG2 THR 12 7.427 11.838 0.373 142 QG2 THR 12 QG2 THR 12 8.376 11.808 0.005 143 H LEU 13 H LEU 13 11.000 8.411 1.949 144 HA LEU 13 HA LEU 13 11.150 6.411 3.105 145 1HB LEU 13 2HB LEU 13 9.096 5.684 3.702 146 2HB LEU 13 1HB LEU 13 8.480 6.896 2.593 147 HG LEU 13 HG LEU 13 8.545 5.090 0.796 148 1HD1 LEU 13 2HD1 LEU 13 9.459 3.581 3.177 149 2HD1 LEU 13 1HD1 LEU 13 8.226 2.778 2.205 150 3HD1 LEU 13 3HD1 LEU 13 9.754 3.261 1.469 151 1HD2 LEU 13 2HD2 LEU 13 6.507 5.874 2.033 152 2HD2 LEU 13 1HD2 LEU 13 6.402 4.199 1.489 153 3HD2 LEU 13 3HD2 LEU 13 6.758 4.558 3.177 154 QB LEU 13 QB LEU 13 8.788 6.290 3.148 155 QD1 LEU 13 QD1 LEU 13 9.147 3.207 2.284 156 QD2 LEU 13 QD2 LEU 13 6.556 4.877 2.233 157 QQD LEU 13 QQD LEU 13 7.851 4.042 2.258 158 H LYS 14 H LYS 14 9.989 5.683 -0.259 159 HA LYS 14 HA LYS 14 10.760 4.062 -1.786 160 1HB LYS 14 2HB LYS 14 13.155 5.192 -0.358 161 2HB LYS 14 1HB LYS 14 13.373 3.958 -1.599 162 1HG LYS 14 2HG LYS 14 12.442 5.319 -3.289 163 2HG LYS 14 1HG LYS 14 11.678 6.397 -2.122 164 1HD LYS 14 2HD LYS 14 13.484 7.738 -2.151 165 2HD LYS 14 1HD LYS 14 14.500 6.404 -1.606 166 1HE LYS 14 2HE LYS 14 15.327 6.026 -3.705 167 2HE LYS 14 1HE LYS 14 13.755 6.310 -4.476 168 1HZ LYS 14 1HZ LYS 14 14.016 8.688 -3.943 169 2HZ LYS 14 3HZ LYS 14 15.579 8.376 -3.364 170 3HZ LYS 14 2HZ LYS 14 15.217 8.127 -5.006 171 QB LYS 14 QB LYS 14 13.264 4.575 -0.979 172 QG LYS 14 QG LYS 14 12.060 5.858 -2.705 173 QD LYS 14 QD LYS 14 13.992 7.071 -1.879 174 QE LYS 14 QE LYS 14 14.541 6.168 -4.091 175 QZ LYS 14 QZ LYS 14 14.937 8.397 -4.104 176 H GLY 15 H GLY 15 9.742 2.153 -0.870 177 1HA GLY 15 2HA GLY 15 11.107 -0.128 -0.458 178 2HA GLY 15 1HA GLY 15 11.277 0.608 1.135 179 QA GLY 15 QA GLY 15 11.192 0.240 0.339 180 H GLU 16 H GLU 16 10.062 -1.408 1.760 181 HA GLU 16 HA GLU 16 7.093 -1.012 1.497 182 1HB GLU 16 2HB GLU 16 8.800 -3.516 1.575 183 2HB GLU 16 1HB GLU 16 7.036 -3.527 1.638 184 1HG GLU 16 2HG GLU 16 6.817 -2.932 -0.572 185 2HG GLU 16 1HG GLU 16 8.295 -1.967 -0.566 186 QB GLU 16 QB GLU 16 7.918 -3.522 1.606 187 QG GLU 16 QG GLU 16 7.556 -2.450 -0.569 188 H ILE 17 H ILE 17 5.872 -1.596 3.415 189 HA ILE 17 HA ILE 17 7.530 -1.720 5.912 190 HB ILE 17 HB ILE 17 6.377 0.419 5.539 191 1HG1 ILE 17 2HG1 ILE 17 4.850 -1.085 7.671 192 2HG1 ILE 17 1HG1 ILE 17 6.557 -0.679 7.855 193 1HG2 ILE 17 2HG2 ILE 17 4.068 -1.407 5.034 194 2HG2 ILE 17 1HG2 ILE 17 3.734 0.133 5.822 195 3HG2 ILE 17 3HG2 ILE 17 4.504 0.103 4.237 196 1HD1 ILE 17 2HD1 ILE 17 4.354 1.328 7.288 197 2HD1 ILE 17 1HD1 ILE 17 5.069 1.038 8.875 198 3HD1 ILE 17 3HD1 ILE 17 6.055 1.699 7.571 199 QG1 ILE 17 QG1 ILE 17 5.704 -0.882 7.763 200 QG2 ILE 17 QG2 ILE 17 4.102 -0.390 5.031 201 QD1 ILE 17 QD1 ILE 17 5.159 1.355 7.911 202 H THR 18 H THR 18 5.376 -3.504 4.015 203 HA THR 18 HA THR 18 3.989 -5.363 4.405 204 HB THR 18 HB THR 18 5.059 -6.991 5.869 205 HG1 THR 18 1HG THR 18 6.677 -6.350 7.279 206 1HG2 THR 18 2HG2 THR 18 6.450 -5.478 3.863 207 2HG2 THR 18 1HG2 THR 18 7.596 -5.956 5.116 208 3HG2 THR 18 3HG2 THR 18 6.637 -7.181 4.286 209 QG2 THR 18 QG2 THR 18 6.894 -6.205 4.421 210 H ILE 19 H ILE 19 1.961 -4.701 5.090 211 HA ILE 19 HA ILE 19 1.554 -4.500 8.057 212 HB ILE 19 HB ILE 19 -0.127 -2.761 7.600 213 1HG1 ILE 19 2HG1 ILE 19 0.183 -1.885 5.044 214 2HG1 ILE 19 1HG1 ILE 19 0.366 -3.619 4.796 215 1HG2 ILE 19 1HG2 ILE 19 2.416 -2.292 7.773 216 2HG2 ILE 19 3HG2 ILE 19 2.333 -1.994 6.036 217 3HG2 ILE 19 2HG2 ILE 19 1.381 -1.009 7.147 218 1HD1 ILE 19 1HD1 ILE 19 -1.774 -3.672 6.414 219 2HD1 ILE 19 3HD1 ILE 19 -2.019 -2.077 5.700 220 3HD1 ILE 19 2HD1 ILE 19 -1.926 -3.501 4.664 221 QG1 ILE 19 QG1 ILE 19 0.275 -2.752 4.920 222 QG2 ILE 19 QG2 ILE 19 2.043 -1.765 6.985 223 QD1 ILE 19 QD1 ILE 19 -1.906 -3.083 5.593 224 H GLU 20 H GLU 20 -0.310 -5.530 8.860 225 HA GLU 20 HA GLU 20 -1.549 -7.535 7.067 226 1HB GLU 20 2HB GLU 20 -0.581 -7.808 9.481 227 2HB GLU 20 1HB GLU 20 -2.117 -7.107 9.996 228 1HG GLU 20 2HG GLU 20 -3.099 -8.930 8.317 229 2HG GLU 20 1HG GLU 20 -1.578 -9.742 8.691 230 QB GLU 20 QB GLU 20 -1.349 -7.458 9.739 231 QG GLU 20 QG GLU 20 -2.338 -9.336 8.504 232 H ALA 21 H ALA 21 -3.888 -7.739 6.914 233 HA ALA 21 HA ALA 21 -5.670 -5.705 8.006 234 1HB ALA 21 3HB ALA 21 -4.566 -5.555 5.209 235 2HB ALA 21 2HB ALA 21 -6.180 -4.930 5.549 236 3HB ALA 21 1HB ALA 21 -4.779 -4.257 6.385 237 QB ALA 21 QB ALA 21 -5.175 -4.914 5.714 238 H VAL 22 H VAL 22 -7.919 -6.001 7.074 239 HA VAL 22 HA VAL 22 -8.788 -8.672 7.105 240 HB VAL 22 HB VAL 22 -10.192 -6.689 7.497 241 1HG1 VAL 22 3HG1 VAL 22 -9.035 -5.432 5.534 242 2HG1 VAL 22 2HG1 VAL 22 -10.250 -6.210 4.522 243 3HG1 VAL 22 1HG1 VAL 22 -10.748 -5.129 5.823 244 1HG2 VAL 22 2HG2 VAL 22 -11.184 -8.885 6.676 245 2HG2 VAL 22 1HG2 VAL 22 -12.179 -7.457 6.390 246 3HG2 VAL 22 3HG2 VAL 22 -11.246 -8.162 5.069 247 QG1 VAL 22 QG1 VAL 22 -10.011 -5.590 5.293 248 QG2 VAL 22 QG2 VAL 22 -11.536 -8.168 6.045 249 QQG VAL 22 QQG VAL 22 -10.774 -6.879 5.669 250 H ASP 23 H ASP 23 -7.978 -6.618 4.313 251 HA ASP 23 HA ASP 23 -7.455 -8.980 2.645 252 1HB ASP 23 2HB ASP 23 -9.950 -7.361 2.539 253 2HB ASP 23 1HB ASP 23 -9.222 -7.768 0.983 254 QB ASP 23 QB ASP 23 -9.586 -7.565 1.761 255 H ALA 24 H ALA 24 -6.910 -8.120 0.306 256 HA ALA 24 HA ALA 24 -4.832 -6.171 0.504 257 1HB ALA 24 3HB ALA 24 -5.440 -8.063 -1.248 258 2HB ALA 24 2HB ALA 24 -6.264 -6.740 -2.074 259 3HB ALA 24 1HB ALA 24 -4.530 -6.641 -1.761 260 QB ALA 24 QB ALA 24 -5.411 -7.148 -1.694 261 H ALA 25 H ALA 25 -8.257 -5.896 -0.321 262 HA ALA 25 HA ALA 25 -8.314 -3.315 -1.472 263 1HB ALA 25 2HB ALA 25 -10.111 -5.244 -0.884 264 2HB ALA 25 1HB ALA 25 -10.474 -4.109 0.416 265 3HB ALA 25 3HB ALA 25 -10.592 -3.591 -1.265 266 QB ALA 25 QB ALA 25 -10.392 -4.315 -0.578 267 H GLU 26 H GLU 26 -8.615 -4.285 1.951 268 HA GLU 26 HA GLU 26 -8.772 -1.596 3.001 269 1HB GLU 26 2HB GLU 26 -8.823 -4.316 3.915 270 2HB GLU 26 1HB GLU 26 -7.624 -3.453 4.877 271 1HG GLU 26 2HG GLU 26 -9.740 -3.197 5.994 272 2HG GLU 26 1HG GLU 26 -9.365 -1.647 5.242 273 QB GLU 26 QB GLU 26 -8.224 -3.884 4.396 274 QG GLU 26 QG GLU 26 -9.552 -2.422 5.618 275 H ALA 27 H ALA 27 -6.108 -3.890 2.453 276 HA ALA 27 HA ALA 27 -3.985 -2.422 3.667 277 1HB ALA 27 1HB ALA 27 -4.353 -4.555 1.647 278 2HB ALA 27 3HB ALA 27 -2.835 -3.666 1.508 279 3HB ALA 27 2HB ALA 27 -3.242 -4.487 3.017 280 QB ALA 27 QB ALA 27 -3.477 -4.236 2.058 281 H GLU 28 H GLU 28 -5.346 -2.274 0.368 282 HA GLU 28 HA GLU 28 -3.532 -0.366 -0.741 283 1HB GLU 28 2HB GLU 28 -5.395 -1.815 -1.821 284 2HB GLU 28 1HB GLU 28 -6.492 -0.519 -1.345 285 1HG GLU 28 2HG GLU 28 -4.568 0.970 -2.490 286 2HG GLU 28 1HG GLU 28 -4.345 -0.513 -3.416 287 QB GLU 28 QB GLU 28 -5.944 -1.167 -1.583 288 QG GLU 28 QG GLU 28 -4.456 0.229 -2.953 289 H LYS 29 H LYS 29 -6.472 -0.001 1.213 290 HA LYS 29 HA LYS 29 -6.607 2.896 1.036 291 1HB LYS 29 2HB LYS 29 -7.686 0.834 2.990 292 2HB LYS 29 1HB LYS 29 -8.137 2.539 3.020 293 1HG LYS 29 2HG LYS 29 -8.550 1.946 0.385 294 2HG LYS 29 1HG LYS 29 -8.952 0.404 1.140 295 1HD LYS 29 2HD LYS 29 -10.993 1.616 1.132 296 2HD LYS 29 1HD LYS 29 -10.384 1.779 2.780 297 1HE LYS 29 2HE LYS 29 -10.956 4.001 2.223 298 2HE LYS 29 1HE LYS 29 -9.224 3.953 1.840 299 1HZ LYS 29 1HZ LYS 29 -9.864 3.231 -0.435 300 2HZ LYS 29 3HZ LYS 29 -11.485 3.538 -0.040 301 3HZ LYS 29 2HZ LYS 29 -10.361 4.812 -0.058 302 QB LYS 29 QB LYS 29 -7.911 1.687 3.005 303 QG LYS 29 QG LYS 29 -8.751 1.175 0.762 304 QD LYS 29 QD LYS 29 -10.689 1.697 1.956 305 QE LYS 29 QE LYS 29 -10.090 3.977 2.031 306 QZ LYS 29 QZ LYS 29 -10.570 3.860 -0.178 307 H ILE 30 H ILE 30 -5.389 0.610 3.504 308 HA ILE 30 HA ILE 30 -4.362 2.532 5.360 309 HB ILE 30 HB ILE 30 -3.406 -0.267 4.633 310 1HG1 ILE 30 2HG1 ILE 30 -5.168 0.440 6.968 311 2HG1 ILE 30 1HG1 ILE 30 -5.881 0.199 5.373 312 1HG2 ILE 30 2HG2 ILE 30 -2.801 1.602 6.911 313 2HG2 ILE 30 1HG2 ILE 30 -2.788 -0.141 7.184 314 3HG2 ILE 30 3HG2 ILE 30 -1.699 0.573 5.994 315 1HD1 ILE 30 1HD1 ILE 30 -3.927 -1.867 6.211 316 2HD1 ILE 30 3HD1 ILE 30 -5.430 -1.825 7.136 317 3HD1 ILE 30 2HD1 ILE 30 -5.478 -2.048 5.388 318 QG1 ILE 30 QG1 ILE 30 -5.525 0.319 6.170 319 QG2 ILE 30 QG2 ILE 30 -2.429 0.678 6.696 320 QD1 ILE 30 QD1 ILE 30 -4.945 -1.914 6.245 321 H PHE 31 H PHE 31 -2.976 0.991 2.491 322 HA PHE 31 HA PHE 31 -0.343 2.206 2.754 323 1HB PHE 31 2HB PHE 31 -1.905 0.643 0.714 324 2HB PHE 31 1HB PHE 31 -0.402 1.423 0.224 325 HD1 PHE 31 1HD PHE 31 1.398 1.184 2.416 326 HD2 PHE 31 2HD PHE 31 -1.569 -1.621 1.085 327 HE1 PHE 31 1HE PHE 31 2.694 -0.668 3.432 328 HE2 PHE 31 2HE PHE 31 -0.271 -3.473 2.103 329 1HZ PHE 31 HZ PHE 31 1.861 -2.996 3.276 330 QB PHE 31 QB PHE 31 -1.154 1.033 0.469 331 QG PHE 31 QD PHE 31 -0.085 -0.218 1.751 332 QZ PHE 31 QE PHE 31 1.211 -2.071 2.767 333 QZ PHE 31 QR PHE 31 0.823 -1.515 2.462 334 H LYS 32 H LYS 32 -3.313 2.925 0.930 335 HA LYS 32 HA LYS 32 -2.227 5.167 -0.507 336 1HB LYS 32 2HB LYS 32 -4.961 4.064 0.070 337 2HB LYS 32 1HB LYS 32 -4.772 5.589 -0.793 338 1HG LYS 32 2HG LYS 32 -3.493 4.549 -2.539 339 2HG LYS 32 1HG LYS 32 -3.354 3.046 -1.625 340 1HD LYS 32 2HD LYS 32 -5.070 2.715 -3.286 341 2HD LYS 32 1HD LYS 32 -5.880 2.867 -1.725 342 1HE LYS 32 2HE LYS 32 -5.996 5.427 -2.348 343 2HE LYS 32 1HE LYS 32 -5.787 4.827 -4.005 344 1HZ LYS 32 3HZ LYS 32 -7.589 3.241 -3.592 345 2HZ LYS 32 2HZ LYS 32 -7.826 3.904 -2.046 346 3HZ LYS 32 1HZ LYS 32 -8.124 4.842 -3.432 347 QB LYS 32 QB LYS 32 -4.866 4.827 -0.362 348 QG LYS 32 QG LYS 32 -3.423 3.798 -2.082 349 QD LYS 32 QD LYS 32 -5.475 2.791 -2.506 350 QE LYS 32 QE LYS 32 -5.892 5.127 -3.177 351 QZ LYS 32 QZ LYS 32 -7.846 3.995 -3.024 352 H GLN 33 H GLN 33 -2.873 4.837 2.779 353 HA GLN 33 HA GLN 33 -3.532 7.759 3.100 354 1HB GLN 33 2HB GLN 33 -5.066 6.073 4.162 355 2HB GLN 33 1HB GLN 33 -3.686 5.400 5.032 356 1HG GLN 33 2HG GLN 33 -3.339 7.502 6.207 357 2HG GLN 33 1HG GLN 33 -4.606 8.280 5.259 358 1HE2 GLN 33 2HE2 GLN 33 -5.626 6.256 8.570 359 2HE2 GLN 33 1HE2 GLN 33 -4.019 6.642 8.179 360 QB GLN 33 QB GLN 33 -4.376 5.736 4.597 361 QG GLN 33 QG GLN 33 -3.973 7.891 5.733 362 QE2 GLN 33 QE2 GLN 33 -4.823 6.449 8.374 363 H TYR 34 H TYR 34 -1.623 5.030 4.137 364 HA TYR 34 HA TYR 34 0.385 6.136 5.758 365 1HB TYR 34 2HB TYR 34 0.057 3.796 5.460 366 2HB TYR 34 1HB TYR 34 0.081 3.941 3.702 367 HD1 TYR 34 1HD TYR 34 2.144 3.935 6.796 368 HD2 TYR 34 2HD TYR 34 2.209 3.943 2.500 369 HE1 TYR 34 1HE TYR 34 4.564 3.401 6.831 370 HE2 TYR 34 2HE TYR 34 4.630 3.408 2.537 371 HH TYR 34 HH TYR 34 6.249 2.426 5.404 372 QB TYR 34 QB TYR 34 0.069 3.868 4.581 373 QG TYR 34 QD TYR 34 2.176 3.939 4.648 374 QZ TYR 34 QE TYR 34 4.597 3.405 4.684 375 QR TYR 34 QR TYR 34 3.387 3.672 4.666 376 H ALA 35 H ALA 35 0.082 6.025 2.205 377 HA ALA 35 HA ALA 35 2.686 7.120 1.551 378 1HB ALA 35 3HB ALA 35 0.139 6.403 0.232 379 2HB ALA 35 2HB ALA 35 0.952 7.790 -0.510 380 3HB ALA 35 1HB ALA 35 1.798 6.237 -0.375 381 QB ALA 35 QB ALA 35 0.963 6.810 -0.218 382 H ASN 36 H ASN 36 -0.545 8.611 1.171 383 HA ASN 36 HA ASN 36 0.272 11.301 0.882 384 1HB ASN 36 2HB ASN 36 -2.217 9.985 1.982 385 2HB ASN 36 1HB ASN 36 -2.113 11.722 1.692 386 1HD2 ASN 36 2HD2 ASN 36 -2.467 9.165 -1.469 387 2HD2 ASN 36 1HD2 ASN 36 -2.246 8.564 0.103 388 QB ASN 36 QB ASN 36 -2.165 10.854 1.837 389 QD2 ASN 36 QD2 ASN 36 -2.357 8.865 -0.683 390 H ASP 37 H ASP 37 -0.607 9.544 3.863 391 HA ASP 37 HA ASP 37 -0.626 11.572 5.768 392 1HB ASP 37 2HB ASP 37 0.279 8.717 5.725 393 2HB ASP 37 1HB ASP 37 0.509 9.659 7.198 394 QB ASP 37 QB ASP 37 0.394 9.188 6.462 395 H ASN 38 H ASN 38 2.135 10.249 4.125 396 HA ASN 38 HA ASN 38 3.992 11.894 5.733 397 1HB ASN 38 2HB ASN 38 4.324 9.403 5.328 398 2HB ASN 38 1HB ASN 38 4.592 9.803 3.630 399 1HD2 ASN 38 2HD2 ASN 38 7.973 10.525 4.239 400 2HD2 ASN 38 1HD2 ASN 38 6.791 9.917 3.184 401 QB ASN 38 QB ASN 38 4.458 9.603 4.479 402 QD2 ASN 38 QD2 ASN 38 7.382 10.221 3.712 403 H GLY 39 H GLY 39 3.082 11.140 2.389 404 1HA GLY 39 2HA GLY 39 2.736 13.303 1.006 405 2HA GLY 39 1HA GLY 39 4.410 13.647 1.463 406 QA GLY 39 QA GLY 39 3.573 13.475 1.235 407 H ILE 40 H ILE 40 2.524 10.885 0.170 408 HA ILE 40 HA ILE 40 4.849 10.270 -1.629 409 HB ILE 40 HB ILE 40 2.718 8.623 -0.312 410 1HG1 ILE 40 2HG1 ILE 40 5.028 9.740 0.796 411 2HG1 ILE 40 1HG1 ILE 40 4.072 8.450 1.495 412 1HG2 ILE 40 3HG2 ILE 40 3.438 7.684 -2.488 413 2HG2 ILE 40 2HG2 ILE 40 5.094 7.636 -1.882 414 3HG2 ILE 40 1HG2 ILE 40 3.845 6.647 -1.119 415 1HD1 ILE 40 3HD1 ILE 40 6.284 7.937 -0.481 416 2HD1 ILE 40 2HD1 ILE 40 6.566 8.013 1.263 417 3HD1 ILE 40 1HD1 ILE 40 5.492 6.780 0.594 418 QG1 ILE 40 QG1 ILE 40 4.550 9.095 1.146 419 QG2 ILE 40 QG2 ILE 40 4.126 7.323 -1.830 420 QD1 ILE 40 QD1 ILE 40 6.114 7.576 0.459 421 H ASP 41 H ASP 41 4.379 10.186 -3.808 422 HA ASP 41 HA ASP 41 1.504 10.109 -4.666 423 1HB ASP 41 2HB ASP 41 3.773 11.961 -5.381 424 2HB ASP 41 1HB ASP 41 2.466 11.685 -6.534 425 QB ASP 41 QB ASP 41 3.120 11.823 -5.957 426 H GLY 42 H GLY 42 1.420 9.469 -7.103 427 1HA GLY 42 2HA GLY 42 3.143 8.477 -8.809 428 2HA GLY 42 1HA GLY 42 3.414 7.323 -7.508 429 QA GLY 42 QA GLY 42 3.279 7.900 -8.159 430 H GLU 43 H GLU 43 2.736 6.139 -9.729 431 HA GLU 43 HA GLU 43 -0.168 5.896 -10.127 432 1HB GLU 43 2HB GLU 43 1.546 5.679 -11.916 433 2HB GLU 43 1HB GLU 43 2.211 4.268 -11.087 434 1HG GLU 43 2HG GLU 43 0.772 3.381 -12.766 435 2HG GLU 43 1HG GLU 43 -0.144 3.257 -11.263 436 QB GLU 43 QB GLU 43 1.879 4.973 -11.501 437 QG GLU 43 QG GLU 43 0.314 3.319 -12.015 438 H TRP 44 H TRP 44 -1.373 4.754 -8.632 439 HA TRP 44 HA TRP 44 -0.158 2.776 -6.838 440 1HB TRP 44 2HB TRP 44 -2.844 4.036 -7.302 441 2HB TRP 44 1HB TRP 44 -2.745 2.565 -6.321 442 HD1 TRP 44 HD TRP 44 -1.670 6.225 -6.345 443 HE1 TRP 44 1HE TRP 44 -0.746 6.815 -4.009 444 HE3 TRP 44 3HE TRP 44 -1.669 1.593 -4.240 445 HZ2 TRP 44 2HZ TRP 44 -0.083 5.476 -1.564 446 HZ3 TRP 44 3HZ TRP 44 -0.884 1.270 -1.906 447 HH2 TRP 44 HH TRP 44 -0.083 3.203 -0.578 448 QB TRP 44 QB TRP 44 -2.794 3.300 -6.811 449 H THR 45 H THR 45 -0.018 0.648 -7.190 450 HA THR 45 HA THR 45 -1.889 -0.688 -9.088 451 HB THR 45 HB THR 45 -0.079 -1.619 -10.360 452 HG1 THR 45 1HG THR 45 1.693 -2.020 -9.352 453 1HG2 THR 45 1HG2 THR 45 -0.587 0.742 -10.904 454 2HG2 THR 45 3HG2 THR 45 0.654 1.254 -9.758 455 3HG2 THR 45 2HG2 THR 45 1.107 0.352 -11.208 456 QG2 THR 45 QG2 THR 45 0.391 0.783 -10.623 457 H TYR 46 H TYR 46 -2.481 -2.661 -8.283 458 HA TYR 46 HA TYR 46 -1.149 -3.602 -5.794 459 1HB TYR 46 2HB TYR 46 -3.544 -3.331 -5.702 460 2HB TYR 46 1HB TYR 46 -3.764 -4.237 -7.203 461 HD1 TYR 46 1HD TYR 46 -1.884 -4.791 -3.996 462 HD2 TYR 46 2HD TYR 46 -4.669 -6.360 -6.863 463 HE1 TYR 46 1HE TYR 46 -2.012 -6.905 -2.712 464 HE2 TYR 46 2HE TYR 46 -4.797 -8.477 -5.576 465 HH TYR 46 HH TYR 46 -3.115 -9.704 -3.885 466 QB TYR 46 QB TYR 46 -3.654 -3.784 -6.453 467 QG TYR 46 QD TYR 46 -3.276 -5.576 -5.430 468 QZ TYR 46 QE TYR 46 -3.404 -7.691 -4.144 469 QR TYR 46 QR TYR 46 -3.340 -6.633 -4.787 470 H ASP 47 H ASP 47 -0.224 -5.680 -5.664 471 HA ASP 47 HA ASP 47 0.171 -7.107 -8.273 472 1HB ASP 47 2HB ASP 47 1.910 -6.839 -5.798 473 2HB ASP 47 1HB ASP 47 2.319 -7.837 -7.193 474 QB ASP 47 QB ASP 47 2.114 -7.338 -6.495 475 H ASP 48 H ASP 48 -1.462 -8.666 -8.133 476 HA ASP 48 HA ASP 48 -2.201 -10.038 -5.702 477 1HB ASP 48 2HB ASP 48 -3.492 -11.449 -7.293 478 2HB ASP 48 1HB ASP 48 -3.691 -9.729 -7.626 479 QB ASP 48 QB ASP 48 -3.591 -10.589 -7.459 480 H ALA 49 H ALA 49 0.590 -10.380 -7.578 481 HA ALA 49 HA ALA 49 0.876 -13.296 -7.232 482 1HB ALA 49 2HB ALA 49 1.644 -11.634 -9.168 483 2HB ALA 49 1HB ALA 49 3.058 -11.448 -8.130 484 3HB ALA 49 3HB ALA 49 2.621 -13.042 -8.748 485 QB ALA 49 QB ALA 49 2.441 -12.041 -8.682 486 H THR 50 H THR 50 1.926 -10.279 -5.753 487 HA THR 50 HA THR 50 3.402 -11.868 -3.682 488 HB THR 50 HB THR 50 5.011 -9.965 -3.637 489 HG1 THR 50 1HG THR 50 4.788 -8.324 -5.064 490 1HG2 THR 50 2HG2 THR 50 5.042 -12.025 -5.307 491 2HG2 THR 50 1HG2 THR 50 4.820 -10.758 -6.514 492 3HG2 THR 50 3HG2 THR 50 6.228 -10.727 -5.452 493 QG2 THR 50 QG2 THR 50 5.364 -11.170 -5.758 494 H LYS 51 H LYS 51 0.678 -10.127 -4.188 495 HA LYS 51 HA LYS 51 -0.747 -8.847 -2.813 496 1HB LYS 51 2HB LYS 51 1.072 -10.051 -0.695 497 2HB LYS 51 1HB LYS 51 -0.538 -9.392 -0.412 498 1HG LYS 51 2HG LYS 51 -0.295 -11.498 -2.510 499 2HG LYS 51 1HG LYS 51 -0.123 -12.012 -0.832 500 1HD LYS 51 2HD LYS 51 -2.275 -10.905 -0.289 501 2HD LYS 51 1HD LYS 51 -2.455 -10.456 -1.986 502 1HE LYS 51 2HE LYS 51 -2.024 -13.101 -2.302 503 2HE LYS 51 1HE LYS 51 -2.779 -13.122 -0.697 504 1HZ LYS 51 1HZ LYS 51 -3.844 -11.693 -3.076 505 2HZ LYS 51 3HZ LYS 51 -4.446 -13.158 -2.472 506 3HZ LYS 51 2HZ LYS 51 -4.564 -11.745 -1.538 507 QB LYS 51 QB LYS 51 0.267 -9.721 -0.553 508 QG LYS 51 QG LYS 51 -0.209 -11.755 -1.671 509 QD LYS 51 QD LYS 51 -2.365 -10.680 -1.137 510 QE LYS 51 QE LYS 51 -2.402 -13.111 -1.500 511 QZ LYS 51 QZ LYS 51 -4.285 -12.199 -2.362 512 H THR 52 H THR 52 1.452 -7.424 -3.953 513 HA THR 52 HA THR 52 2.072 -5.471 -1.748 514 HB THR 52 HB THR 52 3.773 -6.294 -4.121 515 HG1 THR 52 1HG THR 52 4.351 -7.854 -2.875 516 1HG2 THR 52 2HG2 THR 52 3.896 -3.929 -2.829 517 2HG2 THR 52 1HG2 THR 52 4.891 -4.901 -1.746 518 3HG2 THR 52 3HG2 THR 52 5.328 -4.752 -3.448 519 QG2 THR 52 QG2 THR 52 4.705 -4.527 -2.674 520 H PHE 53 H PHE 53 1.493 -3.384 -2.173 521 HA PHE 53 HA PHE 53 0.342 -2.704 -4.815 522 1HB PHE 53 2HB PHE 53 0.511 -1.354 -2.105 523 2HB PHE 53 1HB PHE 53 -0.279 -0.612 -3.497 524 HD1 PHE 53 2HD PHE 53 -0.350 -3.523 -1.180 525 HD2 PHE 53 1HD PHE 53 -2.448 -1.343 -4.240 526 HE1 PHE 53 2HE PHE 53 -2.408 -4.824 -0.700 527 HE2 PHE 53 1HE PHE 53 -4.496 -2.652 -3.756 528 1HZ PHE 53 HZ PHE 53 -4.477 -4.389 -1.989 529 QB PHE 53 QB PHE 53 0.116 -0.983 -2.801 530 QG PHE 53 QD PHE 53 -1.399 -2.433 -2.710 531 QZ PHE 53 QE PHE 53 -3.452 -3.738 -2.228 532 QZ PHE 53 QR PHE 53 -2.836 -3.346 -2.373 533 H THR 54 H THR 54 1.043 -0.146 -5.421 534 HA THR 54 HA THR 54 3.869 0.403 -4.820 535 HB THR 54 HB THR 54 2.977 -0.437 -7.601 536 HG1 THR 54 1HG THR 54 4.547 -1.742 -5.639 537 1HG2 THR 54 1HG2 THR 54 5.599 0.503 -6.443 538 2HG2 THR 54 3HG2 THR 54 5.525 -0.438 -7.933 539 3HG2 THR 54 2HG2 THR 54 4.731 1.134 -7.842 540 QG2 THR 54 QG2 THR 54 5.285 0.400 -7.406 541 H VAL 55 H VAL 55 4.002 2.601 -4.835 542 HA VAL 55 HA VAL 55 2.146 4.111 -6.642 543 HB VAL 55 HB VAL 55 1.388 4.655 -4.500 544 1HG1 VAL 55 2HG1 VAL 55 3.079 3.353 -3.258 545 2HG1 VAL 55 1HG1 VAL 55 4.226 4.696 -3.432 546 3HG1 VAL 55 3HG1 VAL 55 2.739 4.916 -2.488 547 1HG2 VAL 55 2HG2 VAL 55 2.141 6.729 -5.691 548 2HG2 VAL 55 1HG2 VAL 55 2.086 6.891 -3.934 549 3HG2 VAL 55 3HG2 VAL 55 3.632 6.667 -4.753 550 QG1 VAL 55 QG1 VAL 55 3.348 4.322 -3.059 551 QG2 VAL 55 QG2 VAL 55 2.620 6.762 -4.793 552 QQG VAL 55 QQG VAL 55 2.984 5.542 -3.926 553 H THR 56 H THR 56 3.595 4.193 -8.365 554 HA THR 56 HA THR 56 6.355 5.118 -7.979 555 HB THR 56 HB THR 56 4.826 3.550 -9.807 556 HG1 THR 56 1HG THR 56 6.729 2.765 -9.485 557 1HG2 THR 56 2HG2 THR 56 6.191 5.871 -11.195 558 2HG2 THR 56 1HG2 THR 56 5.672 4.388 -11.997 559 3HG2 THR 56 3HG2 THR 56 4.470 5.459 -11.267 560 QG2 THR 56 QG2 THR 56 5.444 5.239 -11.486 561 H GLU 57 H GLU 57 6.462 7.276 -7.423 562 HA GLU 57 HA GLU 57 4.720 9.386 -8.051 563 1HB GLU 57 2HB GLU 57 6.786 9.247 -6.518 564 2HB GLU 57 1HB GLU 57 7.732 9.650 -7.951 565 1HG GLU 57 2HG GLU 57 6.476 11.720 -8.250 566 2HG GLU 57 1HG GLU 57 5.419 11.305 -6.901 567 QB GLU 57 QB GLU 57 7.259 9.449 -7.234 568 QG GLU 57 QG GLU 57 5.947 11.512 -7.575 No H/Q in entry = 568 Start of MODEL 43 1 1H MET 1 3HT MET 1 -4.196 -15.646 7.006 2 2H MET 1 2HT MET 1 -3.818 -15.828 8.652 3 3H MET 1 1HT MET 1 -4.675 -14.461 8.120 4 HA MET 1 HA MET 1 -2.366 -13.873 8.546 5 1HB MET 1 2HB MET 1 -1.665 -16.265 8.165 6 2HB MET 1 1HB MET 1 -1.830 -15.982 6.431 7 1HG MET 1 2HG MET 1 -0.074 -14.382 6.416 8 2HG MET 1 1HG MET 1 -0.097 -14.224 8.172 9 1HE MET 1 2HE MET 1 -0.085 -16.051 9.599 10 2HE MET 1 1HE MET 1 0.595 -17.657 9.359 11 3HE MET 1 3HE MET 1 1.647 -16.303 9.794 12 QB MET 1 QB MET 1 -1.748 -16.123 7.298 13 QG MET 1 QG MET 1 -0.086 -14.303 7.294 14 QE MET 1 QE MET 1 0.719 -16.670 9.584 15 H THR 2 H THR 2 -3.184 -11.926 7.627 16 HA THR 2 HA THR 2 -3.129 -11.758 4.630 17 HB THR 2 HB THR 2 -4.615 -10.110 6.703 18 HG1 THR 2 1HG THR 2 -5.590 -12.054 6.592 19 1HG2 THR 2 1HG2 THR 2 -4.297 -9.941 3.737 20 2HG2 THR 2 3HG2 THR 2 -5.886 -9.584 4.414 21 3HG2 THR 2 2HG2 THR 2 -4.480 -8.645 4.920 22 QG2 THR 2 QG2 THR 2 -4.888 -9.390 4.357 23 H THR 3 H THR 3 -0.807 -11.277 4.640 24 HA THR 3 HA THR 3 -0.091 -8.639 5.859 25 HB THR 3 HB THR 3 1.736 -10.805 4.790 26 HG1 THR 3 1HG THR 3 1.265 -11.877 6.510 27 1HG2 THR 3 3HG2 THR 3 2.275 -8.201 5.510 28 2HG2 THR 3 2HG2 THR 3 2.570 -9.071 7.017 29 3HG2 THR 3 1HG2 THR 3 3.445 -9.522 5.555 30 QG2 THR 3 QG2 THR 3 2.763 -8.931 6.027 31 H PHE 4 H PHE 4 -0.040 -6.974 4.421 32 HA PHE 4 HA PHE 4 0.494 -7.606 1.532 33 1HB PHE 4 2HB PHE 4 -1.212 -5.596 2.987 34 2HB PHE 4 1HB PHE 4 -0.722 -5.301 1.321 35 HD1 PHE 4 1HD PHE 4 -1.031 -7.373 -0.305 36 HD2 PHE 4 2HD PHE 4 -3.185 -6.793 3.371 37 HE1 PHE 4 1HE PHE 4 -2.805 -8.910 -1.100 38 HE2 PHE 4 2HE PHE 4 -4.948 -8.335 2.564 39 1HZ PHE 4 HZ PHE 4 -4.762 -9.395 0.336 40 QB PHE 4 QB PHE 4 -0.967 -5.449 2.154 41 QG PHE 4 QD PHE 4 -2.108 -7.083 1.533 42 QZ PHE 4 QE PHE 4 -3.877 -8.623 0.732 43 QZ PHE 4 QR PHE 4 -3.346 -8.161 0.973 44 H LYS 5 H LYS 5 2.407 -6.828 0.765 45 HA LYS 5 HA LYS 5 3.956 -4.898 2.393 46 1HB LYS 5 2HB LYS 5 4.445 -6.760 0.076 47 2HB LYS 5 1HB LYS 5 5.616 -5.494 0.438 48 1HG LYS 5 2HG LYS 5 6.385 -6.574 2.275 49 2HG LYS 5 1HG LYS 5 4.757 -6.964 2.830 50 1HD LYS 5 2HD LYS 5 5.731 -8.425 0.426 51 2HD LYS 5 1HD LYS 5 6.476 -8.849 1.968 52 1HE LYS 5 2HE LYS 5 4.491 -9.674 2.856 53 2HE LYS 5 1HE LYS 5 3.483 -8.624 1.841 54 1HZ LYS 5 1HZ LYS 5 5.154 -10.879 0.859 55 2HZ LYS 5 3HZ LYS 5 3.468 -10.916 1.031 56 3HZ LYS 5 2HZ LYS 5 4.182 -9.870 -0.101 57 QB LYS 5 QB LYS 5 5.031 -6.127 0.257 58 QG LYS 5 QG LYS 5 5.571 -6.769 2.553 59 QD LYS 5 QD LYS 5 6.104 -8.637 1.197 60 QE LYS 5 QE LYS 5 3.987 -9.149 2.349 61 QZ LYS 5 QZ LYS 5 4.268 -10.555 0.596 62 H LEU 6 H LEU 6 5.161 -3.146 0.984 63 HA LEU 6 HA LEU 6 3.560 -2.206 -1.333 64 1HB LEU 6 2HB LEU 6 2.620 -1.477 1.003 65 2HB LEU 6 1HB LEU 6 3.979 -0.364 1.014 66 HG LEU 6 HG LEU 6 1.493 -0.317 -0.633 67 1HD1 LEU 6 2HD1 LEU 6 2.674 1.285 1.285 68 2HD1 LEU 6 1HD1 LEU 6 3.053 2.140 -0.207 69 3HD1 LEU 6 3HD1 LEU 6 1.377 1.782 0.201 70 1HD2 LEU 6 2HD2 LEU 6 4.138 0.720 -1.729 71 2HD2 LEU 6 1HD2 LEU 6 3.189 -0.595 -2.421 72 3HD2 LEU 6 3HD2 LEU 6 2.547 1.048 -2.417 73 QB LEU 6 QB LEU 6 3.299 -0.920 1.009 74 QD1 LEU 6 QD1 LEU 6 2.368 1.736 0.426 75 QD2 LEU 6 QD2 LEU 6 3.291 0.391 -2.189 76 QQD LEU 6 QQD LEU 6 2.830 1.064 -0.881 77 H ILE 7 H ILE 7 5.201 -1.808 -2.767 78 HA ILE 7 HA ILE 7 7.782 -0.681 -1.830 79 HB ILE 7 HB ILE 7 6.759 -1.588 -4.546 80 1HG1 ILE 7 2HG1 ILE 7 8.672 -2.969 -2.642 81 2HG1 ILE 7 1HG1 ILE 7 6.953 -3.352 -2.743 82 1HG2 ILE 7 2HG2 ILE 7 9.452 -0.644 -3.556 83 2HG2 ILE 7 1HG2 ILE 7 9.312 -1.700 -4.963 84 3HG2 ILE 7 3HG2 ILE 7 8.556 -0.106 -4.977 85 1HD1 ILE 7 1HD1 ILE 7 8.606 -3.339 -5.250 86 2HD1 ILE 7 3HD1 ILE 7 8.681 -4.732 -4.172 87 3HD1 ILE 7 2HD1 ILE 7 7.141 -4.252 -4.886 88 QG1 ILE 7 QG1 ILE 7 7.813 -3.160 -2.693 89 QG2 ILE 7 QG2 ILE 7 9.106 -0.816 -4.499 90 QD1 ILE 7 QD1 ILE 7 8.143 -4.108 -4.769 91 H ILE 8 H ILE 8 7.820 1.555 -1.657 92 HA ILE 8 HA ILE 8 5.889 3.144 -3.202 93 HB ILE 8 HB ILE 8 8.007 3.879 -1.158 94 1HG1 ILE 8 2HG1 ILE 8 5.874 4.439 0.166 95 2HG1 ILE 8 1HG1 ILE 8 5.002 3.531 -1.065 96 1HG2 ILE 8 3HG2 ILE 8 5.863 5.569 -2.491 97 2HG2 ILE 8 2HG2 ILE 8 6.828 6.089 -1.103 98 3HG2 ILE 8 1HG2 ILE 8 7.611 5.779 -2.654 99 1HD1 ILE 8 1HD1 ILE 8 7.381 2.293 0.253 100 2HD1 ILE 8 3HD1 ILE 8 5.836 2.315 1.103 101 3HD1 ILE 8 2HD1 ILE 8 5.968 1.525 -0.472 102 QG1 ILE 8 QG1 ILE 8 5.438 3.985 -0.449 103 QG2 ILE 8 QG2 ILE 8 6.767 5.812 -2.083 104 QD1 ILE 8 QD1 ILE 8 6.395 2.044 0.295 105 H ASN 9 H ASN 9 6.446 3.752 -5.280 106 HA ASN 9 HA ASN 9 9.316 3.902 -6.031 107 1HB ASN 9 2HB ASN 9 7.614 2.632 -7.362 108 2HB ASN 9 1HB ASN 9 6.780 4.154 -7.680 109 1HD2 ASN 9 2HD2 ASN 9 9.068 5.194 -10.171 110 2HD2 ASN 9 1HD2 ASN 9 7.702 5.595 -9.247 111 QB ASN 9 QB ASN 9 7.197 3.393 -7.521 112 QD2 ASN 9 QD2 ASN 9 8.385 5.394 -9.709 113 H GLY 10 H GLY 10 9.038 5.951 -4.398 114 1HA GLY 10 2HA GLY 10 8.749 8.324 -6.184 115 2HA GLY 10 1HA GLY 10 7.986 8.331 -4.593 116 QA GLY 10 QA GLY 10 8.368 8.328 -5.389 117 H LYS 11 H LYS 11 9.250 9.988 -3.694 118 HA LYS 11 HA LYS 11 12.142 9.309 -3.278 119 1HB LYS 11 2HB LYS 11 12.567 11.758 -3.489 120 2HB LYS 11 1HB LYS 11 11.880 11.074 -4.961 121 1HG LYS 11 2HG LYS 11 9.772 12.037 -4.578 122 2HG LYS 11 1HG LYS 11 10.081 12.264 -2.857 123 1HD LYS 11 2HD LYS 11 11.787 13.679 -4.888 124 2HD LYS 11 1HD LYS 11 10.211 14.336 -4.449 125 1HE LYS 11 2HE LYS 11 10.953 15.029 -2.407 126 2HE LYS 11 1HE LYS 11 11.847 13.520 -2.127 127 1HZ LYS 11 3HZ LYS 11 12.684 15.661 -4.012 128 2HZ LYS 11 2HZ LYS 11 13.332 15.440 -2.456 129 3HZ LYS 11 1HZ LYS 11 13.547 14.248 -3.647 130 QB LYS 11 QB LYS 11 12.224 11.416 -4.225 131 QG LYS 11 QG LYS 11 9.926 12.150 -3.718 132 QD LYS 11 QD LYS 11 10.999 14.007 -4.669 133 QE LYS 11 QE LYS 11 11.400 14.275 -2.267 134 QZ LYS 11 QZ LYS 11 13.188 15.116 -3.372 135 H THR 12 H THR 12 9.654 8.958 -1.572 136 HA THR 12 HA THR 12 10.695 10.371 0.849 137 HB THR 12 HB THR 12 7.759 10.154 0.160 138 HG1 THR 12 1HG THR 12 9.565 12.276 -0.365 139 1HG2 THR 12 1HG2 THR 12 9.429 11.481 2.244 140 2HG2 THR 12 3HG2 THR 12 7.988 12.334 1.691 141 3HG2 THR 12 2HG2 THR 12 7.844 10.721 2.391 142 QG2 THR 12 QG2 THR 12 8.421 11.512 2.109 143 H LEU 13 H LEU 13 10.733 7.539 -0.221 144 HA LEU 13 HA LEU 13 10.190 6.181 2.265 145 1HB LEU 13 2HB LEU 13 8.004 6.594 0.431 146 2HB LEU 13 1HB LEU 13 8.364 4.869 0.498 147 HG LEU 13 HG LEU 13 8.243 6.430 3.042 148 1HD1 LEU 13 1HD1 LEU 13 6.159 6.728 1.401 149 2HD1 LEU 13 3HD1 LEU 13 5.746 5.134 2.031 150 3HD1 LEU 13 2HD1 LEU 13 5.934 6.498 3.134 151 1HD2 LEU 13 2HD2 LEU 13 8.974 3.995 2.836 152 2HD2 LEU 13 1HD2 LEU 13 7.649 4.284 3.962 153 3HD2 LEU 13 3HD2 LEU 13 7.315 3.621 2.359 154 QB LEU 13 QB LEU 13 8.184 5.731 0.465 155 QD1 LEU 13 QD1 LEU 13 5.946 6.120 2.189 156 QD2 LEU 13 QD2 LEU 13 7.979 3.967 3.052 157 QQD LEU 13 QQD LEU 13 6.963 5.043 2.620 158 H LYS 14 H LYS 14 9.666 5.024 -1.076 159 HA LYS 14 HA LYS 14 10.787 3.334 -2.298 160 1HB LYS 14 2HB LYS 14 12.938 4.917 -0.893 161 2HB LYS 14 1HB LYS 14 13.355 3.594 -1.982 162 1HG LYS 14 2HG LYS 14 11.855 4.721 -3.713 163 2HG LYS 14 1HG LYS 14 11.829 6.120 -2.639 164 1HD LYS 14 2HD LYS 14 13.605 6.432 -4.271 165 2HD LYS 14 1HD LYS 14 14.335 6.139 -2.692 166 1HE LYS 14 2HE LYS 14 15.207 4.113 -3.330 167 2HE LYS 14 1HE LYS 14 13.804 3.719 -4.344 168 1HZ LYS 14 2HZ LYS 14 14.528 5.449 -5.904 169 2HZ LYS 14 1HZ LYS 14 15.919 5.714 -4.965 170 3HZ LYS 14 3HZ LYS 14 15.693 4.223 -5.742 171 QB LYS 14 QB LYS 14 13.146 4.255 -1.437 172 QG LYS 14 QG LYS 14 11.842 5.421 -3.176 173 QD LYS 14 QD LYS 14 13.970 6.286 -3.482 174 QE LYS 14 QE LYS 14 14.505 3.916 -3.837 175 QZ LYS 14 QZ LYS 14 15.380 5.129 -5.537 176 H GLY 15 H GLY 15 9.604 2.180 -0.144 177 1HA GLY 15 2HA GLY 15 11.583 0.119 0.647 178 2HA GLY 15 1HA GLY 15 10.736 0.958 1.946 179 QA GLY 15 QA GLY 15 11.159 0.538 1.297 180 H GLU 16 H GLU 16 10.396 -1.743 1.769 181 HA GLU 16 HA GLU 16 7.717 -2.137 0.469 182 1HB GLU 16 2HB GLU 16 10.000 -3.498 0.077 183 2HB GLU 16 1HB GLU 16 9.408 -4.380 1.484 184 1HG GLU 16 2HG GLU 16 7.589 -5.230 0.363 185 2HG GLU 16 1HG GLU 16 7.450 -3.824 -0.693 186 QB GLU 16 QB GLU 16 9.704 -3.939 0.780 187 QG GLU 16 QG GLU 16 7.519 -4.527 -0.165 188 H ILE 17 H ILE 17 7.185 -0.845 2.656 189 HA ILE 17 HA ILE 17 7.299 -2.174 5.183 190 HB ILE 17 HB ILE 17 6.799 0.216 4.854 191 1HG1 ILE 17 2HG1 ILE 17 4.356 -1.112 6.051 192 2HG1 ILE 17 1HG1 ILE 17 5.919 -1.073 6.871 193 1HG2 ILE 17 1HG2 ILE 17 4.328 -0.869 3.492 194 2HG2 ILE 17 3HG2 ILE 17 4.417 0.782 4.101 195 3HG2 ILE 17 2HG2 ILE 17 5.527 0.247 2.840 196 1HD1 ILE 17 1HD1 ILE 17 5.865 1.468 6.509 197 2HD1 ILE 17 3HD1 ILE 17 4.164 1.261 6.095 198 3HD1 ILE 17 2HD1 ILE 17 4.740 0.820 7.701 199 QG1 ILE 17 QG1 ILE 17 5.137 -1.092 6.461 200 QG2 ILE 17 QG2 ILE 17 4.758 0.053 3.478 201 QD1 ILE 17 QD1 ILE 17 4.923 1.183 6.768 202 H THR 18 H THR 18 5.861 -3.627 6.175 203 HA THR 18 HA THR 18 3.984 -5.034 4.344 204 HB THR 18 HB THR 18 4.119 -6.732 6.252 205 HG1 THR 18 1HG THR 18 5.730 -6.363 7.754 206 1HG2 THR 18 3HG2 THR 18 6.024 -6.015 4.220 207 2HG2 THR 18 2HG2 THR 18 6.895 -6.605 5.637 208 3HG2 THR 18 1HG2 THR 18 5.665 -7.614 4.877 209 QG2 THR 18 QG2 THR 18 6.195 -6.745 4.912 210 H ILE 19 H ILE 19 1.800 -5.425 4.971 211 HA ILE 19 HA ILE 19 0.804 -3.587 7.127 212 HB ILE 19 HB ILE 19 0.210 -3.853 4.330 213 1HG1 ILE 19 2HG1 ILE 19 -0.733 -2.119 6.610 214 2HG1 ILE 19 1HG1 ILE 19 0.327 -1.693 5.269 215 1HG2 ILE 19 2HG2 ILE 19 -1.492 -5.560 5.017 216 2HG2 ILE 19 1HG2 ILE 19 -2.256 -4.339 6.035 217 3HG2 ILE 19 3HG2 ILE 19 -2.212 -4.127 4.284 218 1HD1 ILE 19 2HD1 ILE 19 -1.816 -2.191 3.798 219 2HD1 ILE 19 1HD1 ILE 19 -2.679 -1.930 5.316 220 3HD1 ILE 19 3HD1 ILE 19 -1.673 -0.645 4.639 221 QG1 ILE 19 QG1 ILE 19 -0.203 -1.906 5.939 222 QG2 ILE 19 QG2 ILE 19 -1.987 -4.675 5.112 223 QD1 ILE 19 QD1 ILE 19 -2.056 -1.589 4.584 224 H GLU 20 H GLU 20 -1.307 -4.284 8.032 225 HA GLU 20 HA GLU 20 -1.675 -7.246 8.211 226 1HB GLU 20 2HB GLU 20 -0.397 -6.113 10.160 227 2HB GLU 20 1HB GLU 20 -1.917 -5.298 10.527 228 1HG GLU 20 2HG GLU 20 -2.172 -7.170 11.854 229 2HG GLU 20 1HG GLU 20 -2.865 -7.788 10.354 230 QB GLU 20 QB GLU 20 -1.157 -5.706 10.344 231 QG GLU 20 QG GLU 20 -2.518 -7.479 11.104 232 H ALA 21 H ALA 21 -3.359 -6.633 6.574 233 HA ALA 21 HA ALA 21 -5.680 -5.164 7.751 234 1HB ALA 21 2HB ALA 21 -4.666 -5.540 4.907 235 2HB ALA 21 1HB ALA 21 -6.147 -4.672 5.329 236 3HB ALA 21 3HB ALA 21 -4.580 -4.054 5.863 237 QB ALA 21 QB ALA 21 -5.131 -4.755 5.366 238 H VAL 22 H VAL 22 -7.759 -5.888 6.523 239 HA VAL 22 HA VAL 22 -8.125 -8.693 7.026 240 HB VAL 22 HB VAL 22 -9.815 -6.922 7.468 241 1HG1 VAL 22 1HG1 VAL 22 -9.197 -5.670 5.272 242 2HG1 VAL 22 3HG1 VAL 22 -10.296 -6.804 4.488 243 3HG1 VAL 22 2HG1 VAL 22 -10.897 -5.717 5.737 244 1HG2 VAL 22 1HG2 VAL 22 -10.451 -9.197 5.604 245 2HG2 VAL 22 3HG2 VAL 22 -10.816 -9.036 7.323 246 3HG2 VAL 22 2HG2 VAL 22 -11.730 -8.105 6.135 247 QG1 VAL 22 QG1 VAL 22 -10.130 -6.064 5.166 248 QG2 VAL 22 QG2 VAL 22 -10.999 -8.779 6.354 249 QQG VAL 22 QQG VAL 22 -10.564 -7.422 5.760 250 H ASP 23 H ASP 23 -7.977 -6.682 4.119 251 HA ASP 23 HA ASP 23 -7.298 -9.058 2.492 252 1HB ASP 23 2HB ASP 23 -9.066 -8.401 0.826 253 2HB ASP 23 1HB ASP 23 -9.735 -8.945 2.362 254 QB ASP 23 QB ASP 23 -9.400 -8.673 1.594 255 H ALA 24 H ALA 24 -6.718 -8.194 0.169 256 HA ALA 24 HA ALA 24 -4.704 -6.195 0.432 257 1HB ALA 24 3HB ALA 24 -5.291 -8.082 -1.374 258 2HB ALA 24 2HB ALA 24 -6.015 -6.707 -2.210 259 3HB ALA 24 1HB ALA 24 -4.299 -6.684 -1.795 260 QB ALA 24 QB ALA 24 -5.201 -7.158 -1.793 261 H ALA 25 H ALA 25 -8.113 -5.995 -0.450 262 HA ALA 25 HA ALA 25 -8.249 -3.427 -1.602 263 1HB ALA 25 3HB ALA 25 -10.002 -5.373 -0.310 264 2HB ALA 25 2HB ALA 25 -10.534 -3.718 -0.017 265 3HB ALA 25 1HB ALA 25 -10.340 -4.302 -1.668 266 QB ALA 25 QB ALA 25 -10.292 -4.464 -0.665 267 H GLU 26 H GLU 26 -8.691 -4.296 1.849 268 HA GLU 26 HA GLU 26 -8.810 -1.610 2.842 269 1HB GLU 26 2HB GLU 26 -8.526 -4.368 3.839 270 2HB GLU 26 1HB GLU 26 -7.746 -3.172 4.875 271 1HG GLU 26 2HG GLU 26 -10.129 -1.928 4.310 272 2HG GLU 26 1HG GLU 26 -10.618 -3.622 4.354 273 QB GLU 26 QB GLU 26 -8.136 -3.770 4.357 274 QG GLU 26 QG GLU 26 -10.373 -2.775 4.332 275 H ALA 27 H ALA 27 -6.066 -3.904 2.550 276 HA ALA 27 HA ALA 27 -3.992 -2.380 3.692 277 1HB ALA 27 2HB ALA 27 -4.041 -4.185 1.252 278 2HB ALA 27 1HB ALA 27 -2.550 -3.581 1.981 279 3HB ALA 27 3HB ALA 27 -3.624 -4.633 2.909 280 QB ALA 27 QB ALA 27 -3.405 -4.133 2.047 281 H GLU 28 H GLU 28 -5.205 -2.230 0.322 282 HA GLU 28 HA GLU 28 -3.402 -0.223 -0.616 283 1HB GLU 28 2HB GLU 28 -5.129 -1.773 -1.828 284 2HB GLU 28 1HB GLU 28 -6.270 -0.462 -1.516 285 1HG GLU 28 2HG GLU 28 -4.315 1.034 -2.507 286 2HG GLU 28 1HG GLU 28 -3.840 -0.479 -3.283 287 QB GLU 28 QB GLU 28 -5.699 -1.117 -1.672 288 QG GLU 28 QG GLU 28 -4.078 0.278 -2.895 289 H LYS 29 H LYS 29 -6.471 -0.010 1.164 290 HA LYS 29 HA LYS 29 -6.785 2.867 0.934 291 1HB LYS 29 2HB LYS 29 -7.716 0.896 3.058 292 2HB LYS 29 1HB LYS 29 -8.371 2.511 2.804 293 1HG LYS 29 2HG LYS 29 -8.366 0.360 0.674 294 2HG LYS 29 1HG LYS 29 -9.729 0.659 1.750 295 1HD LYS 29 2HD LYS 29 -8.491 2.725 -0.092 296 2HD LYS 29 1HD LYS 29 -9.970 1.828 -0.433 297 1HE LYS 29 2HE LYS 29 -10.932 2.756 1.722 298 2HE LYS 29 1HE LYS 29 -9.508 3.811 1.818 299 1HZ LYS 29 1HZ LYS 29 -10.011 4.498 -0.506 300 2HZ LYS 29 3HZ LYS 29 -11.481 3.659 -0.397 301 3HZ LYS 29 2HZ LYS 29 -11.184 4.985 0.623 302 QB LYS 29 QB LYS 29 -8.043 1.704 2.931 303 QG LYS 29 QG LYS 29 -9.048 0.510 1.212 304 QD LYS 29 QD LYS 29 -9.230 2.277 -0.262 305 QE LYS 29 QE LYS 29 -10.220 3.283 1.770 306 QZ LYS 29 QZ LYS 29 -10.892 4.381 -0.093 307 H ILE 30 H ILE 30 -5.589 0.763 3.557 308 HA ILE 30 HA ILE 30 -4.627 2.798 5.310 309 HB ILE 30 HB ILE 30 -3.681 -0.051 4.800 310 1HG1 ILE 30 2HG1 ILE 30 -5.446 0.745 7.080 311 2HG1 ILE 30 1HG1 ILE 30 -6.175 0.629 5.477 312 1HG2 ILE 30 2HG2 ILE 30 -2.089 1.357 6.138 313 2HG2 ILE 30 1HG2 ILE 30 -3.388 1.659 7.292 314 3HG2 ILE 30 3HG2 ILE 30 -2.778 0.021 7.061 315 1HD1 ILE 30 2HD1 ILE 30 -4.386 -1.614 6.221 316 2HD1 ILE 30 1HD1 ILE 30 -5.883 -1.499 7.146 317 3HD1 ILE 30 3HD1 ILE 30 -5.941 -1.640 5.390 318 QG1 ILE 30 QG1 ILE 30 -5.811 0.687 6.278 319 QG2 ILE 30 QG2 ILE 30 -2.752 1.013 6.830 320 QD1 ILE 30 QD1 ILE 30 -5.403 -1.584 6.253 321 H PHE 31 H PHE 31 -3.214 1.224 2.492 322 HA PHE 31 HA PHE 31 -0.551 2.381 2.844 323 1HB PHE 31 2HB PHE 31 -2.059 0.754 0.815 324 2HB PHE 31 1HB PHE 31 -0.566 1.536 0.313 325 HD1 PHE 31 2HD PHE 31 1.098 1.345 2.761 326 HD2 PHE 31 1HD PHE 31 -1.564 -1.522 0.983 327 HE1 PHE 31 2HE PHE 31 2.394 -0.500 3.788 328 HE2 PHE 31 1HE PHE 31 -0.245 -3.365 1.999 329 1HZ PHE 31 HZ PHE 31 1.731 -2.846 3.400 330 QB PHE 31 QB PHE 31 -1.313 1.145 0.564 331 QG PHE 31 QD PHE 31 -0.233 -0.088 1.872 332 QZ PHE 31 QE PHE 31 1.075 -1.932 2.894 333 QZ PHE 31 QR PHE 31 0.683 -1.377 2.586 334 H LYS 32 H LYS 32 -3.440 3.058 0.920 335 HA LYS 32 HA LYS 32 -2.311 5.236 -0.581 336 1HB LYS 32 2HB LYS 32 -5.062 4.161 -0.028 337 2HB LYS 32 1HB LYS 32 -4.841 5.629 -0.978 338 1HG LYS 32 2HG LYS 32 -3.042 3.471 -1.831 339 2HG LYS 32 1HG LYS 32 -4.743 3.024 -1.961 340 1HD LYS 32 2HD LYS 32 -3.852 5.712 -2.966 341 2HD LYS 32 1HD LYS 32 -3.589 4.280 -3.959 342 1HE LYS 32 2HE LYS 32 -6.111 3.770 -3.463 343 2HE LYS 32 1HE LYS 32 -6.193 5.501 -3.077 344 1HZ LYS 32 3HZ LYS 32 -4.999 5.903 -5.211 345 2HZ LYS 32 2HZ LYS 32 -5.220 4.262 -5.594 346 3HZ LYS 32 1HZ LYS 32 -6.565 5.283 -5.404 347 QB LYS 32 QB LYS 32 -4.952 4.895 -0.503 348 QG LYS 32 QG LYS 32 -3.892 3.248 -1.896 349 QD LYS 32 QD LYS 32 -3.720 4.996 -3.462 350 QE LYS 32 QE LYS 32 -6.152 4.635 -3.270 351 QZ LYS 32 QZ LYS 32 -5.595 5.149 -5.403 352 H GLN 33 H GLN 33 -3.090 5.061 2.698 353 HA GLN 33 HA GLN 33 -3.766 8.002 2.819 354 1HB GLN 33 2HB GLN 33 -4.189 5.616 4.643 355 2HB GLN 33 1HB GLN 33 -4.326 7.268 5.245 356 1HG GLN 33 2HG GLN 33 -5.810 6.564 2.748 357 2HG GLN 33 1HG GLN 33 -6.449 5.979 4.285 358 1HE2 GLN 33 2HE2 GLN 33 -8.065 9.135 4.493 359 2HE2 GLN 33 1HE2 GLN 33 -8.274 7.467 4.265 360 QB GLN 33 QB GLN 33 -4.257 6.442 4.944 361 QG GLN 33 QG GLN 33 -6.129 6.272 3.517 362 QE2 GLN 33 QE2 GLN 33 -8.169 8.301 4.379 363 H TYR 34 H TYR 34 -1.901 5.366 4.119 364 HA TYR 34 HA TYR 34 0.008 6.599 5.774 365 1HB TYR 34 2HB TYR 34 -0.241 4.250 5.669 366 2HB TYR 34 1HB TYR 34 -0.239 4.243 3.902 367 HD1 TYR 34 1HD TYR 34 1.891 4.626 6.946 368 HD2 TYR 34 2HD TYR 34 1.838 4.023 2.694 369 HE1 TYR 34 1HE TYR 34 4.313 4.097 6.991 370 HE2 TYR 34 2HE TYR 34 4.260 3.495 2.739 371 HH TYR 34 HH TYR 34 6.236 4.158 5.385 372 QB TYR 34 QB TYR 34 -0.240 4.247 4.786 373 QG TYR 34 QD TYR 34 1.864 4.325 4.820 374 QZ TYR 34 QE TYR 34 4.286 3.796 4.865 375 QR TYR 34 QR TYR 34 3.075 4.060 4.842 376 H ALA 35 H ALA 35 -0.184 6.331 2.243 377 HA ALA 35 HA ALA 35 2.465 7.282 1.563 378 1HB ALA 35 3HB ALA 35 -0.209 6.916 0.249 379 2HB ALA 35 2HB ALA 35 0.986 7.923 -0.576 380 3HB ALA 35 1HB ALA 35 1.361 6.240 -0.198 381 QB ALA 35 QB ALA 35 0.713 7.026 -0.175 382 H ASN 36 H ASN 36 -0.710 8.935 1.685 383 HA ASN 36 HA ASN 36 0.155 11.552 1.014 384 1HB ASN 36 2HB ASN 36 -2.088 10.401 2.668 385 2HB ASN 36 1HB ASN 36 -1.938 12.140 2.420 386 1HD2 ASN 36 2HD2 ASN 36 -3.032 9.750 -0.724 387 2HD2 ASN 36 1HD2 ASN 36 -2.411 9.048 0.689 388 QB ASN 36 QB ASN 36 -2.013 11.271 2.544 389 QD2 ASN 36 QD2 ASN 36 -2.721 9.399 -0.018 390 H ASP 37 H ASP 37 -0.176 10.040 4.240 391 HA ASP 37 HA ASP 37 0.572 12.242 5.842 392 1HB ASP 37 2HB ASP 37 -0.268 9.831 6.385 393 2HB ASP 37 1HB ASP 37 1.447 9.421 6.415 394 QB ASP 37 QB ASP 37 0.590 9.626 6.400 395 H ASN 38 H ASN 38 2.536 10.242 3.806 396 HA ASN 38 HA ASN 38 5.028 11.324 4.954 397 1HB ASN 38 2HB ASN 38 4.167 8.917 3.458 398 2HB ASN 38 1HB ASN 38 5.781 9.516 3.077 399 1HD2 ASN 38 2HD2 ASN 38 5.053 8.263 6.934 400 2HD2 ASN 38 1HD2 ASN 38 3.768 8.883 6.014 401 QB ASN 38 QB ASN 38 4.974 9.216 3.267 402 QD2 ASN 38 QD2 ASN 38 4.410 8.573 6.474 403 H GLY 39 H GLY 39 3.008 11.394 2.094 404 1HA GLY 39 2HA GLY 39 3.161 13.393 0.636 405 2HA GLY 39 1HA GLY 39 4.912 13.336 0.851 406 QA GLY 39 QA GLY 39 4.037 13.365 0.743 407 H ILE 40 H ILE 40 2.998 10.440 0.347 408 HA ILE 40 HA ILE 40 4.484 9.935 -2.176 409 HB ILE 40 HB ILE 40 3.128 8.390 -0.007 410 1HG1 ILE 40 2HG1 ILE 40 5.226 7.022 -0.317 411 2HG1 ILE 40 1HG1 ILE 40 5.729 8.225 -1.508 412 1HG2 ILE 40 1HG2 ILE 40 2.132 7.504 -2.156 413 2HG2 ILE 40 3HG2 ILE 40 3.772 7.086 -2.652 414 3HG2 ILE 40 2HG2 ILE 40 3.057 6.333 -1.224 415 1HD1 ILE 40 1HD1 ILE 40 4.861 8.956 1.286 416 2HD1 ILE 40 3HD1 ILE 40 6.549 8.639 0.861 417 3HD1 ILE 40 2HD1 ILE 40 5.683 9.979 0.098 418 QG1 ILE 40 QG1 ILE 40 5.478 7.624 -0.912 419 QG2 ILE 40 QG2 ILE 40 2.987 6.974 -2.011 420 QD1 ILE 40 QD1 ILE 40 5.697 9.191 0.748 421 H ASP 41 H ASP 41 3.415 10.858 -3.857 422 HA ASP 41 HA ASP 41 0.550 10.110 -4.281 423 1HB ASP 41 2HB ASP 41 0.712 12.320 -3.149 424 2HB ASP 41 1HB ASP 41 1.695 12.911 -4.489 425 QB ASP 41 QB ASP 41 1.203 12.616 -3.819 426 H GLY 42 H GLY 42 0.926 8.862 -6.119 427 1HA GLY 42 2HA GLY 42 1.549 10.270 -8.592 428 2HA GLY 42 1HA GLY 42 2.787 9.096 -8.151 429 QA GLY 42 QA GLY 42 2.168 9.683 -8.371 430 H GLU 43 H GLU 43 2.412 6.953 -8.642 431 HA GLU 43 HA GLU 43 -0.270 6.285 -9.811 432 1HB GLU 43 2HB GLU 43 2.244 6.064 -10.827 433 2HB GLU 43 1HB GLU 43 2.051 4.463 -10.113 434 1HG GLU 43 2HG GLU 43 0.404 3.854 -11.582 435 2HG GLU 43 1HG GLU 43 -0.264 5.484 -11.670 436 QB GLU 43 QB GLU 43 2.148 5.263 -10.470 437 QG GLU 43 QG GLU 43 0.070 4.669 -11.626 438 H TRP 44 H TRP 44 -0.639 3.728 -9.564 439 HA TRP 44 HA TRP 44 0.159 2.608 -6.923 440 1HB TRP 44 2HB TRP 44 -2.531 3.783 -7.612 441 2HB TRP 44 1HB TRP 44 -2.468 2.354 -6.575 442 HD1 TRP 44 HD TRP 44 -1.654 6.061 -6.609 443 HE1 TRP 44 1HE TRP 44 -0.973 6.768 -4.222 444 HE3 TRP 44 3HE TRP 44 -1.418 1.486 -4.402 445 HZ2 TRP 44 2HZ TRP 44 -0.402 5.536 -1.698 446 HZ3 TRP 44 3HZ TRP 44 -0.819 1.276 -2.000 447 HH2 TRP 44 HH TRP 44 -0.302 3.288 -0.655 448 QB TRP 44 QB TRP 44 -2.499 3.068 -7.094 449 H THR 45 H THR 45 0.290 0.414 -7.178 450 HA THR 45 HA THR 45 -1.540 -0.959 -9.088 451 HB THR 45 HB THR 45 0.244 -1.944 -10.327 452 HG1 THR 45 1HG THR 45 2.347 -1.869 -9.660 453 1HG2 THR 45 1HG2 THR 45 -0.156 0.416 -10.924 454 2HG2 THR 45 3HG2 THR 45 1.073 0.909 -9.758 455 3HG2 THR 45 2HG2 THR 45 1.532 -0.033 -11.179 456 QG2 THR 45 QG2 THR 45 0.816 0.431 -10.620 457 H TYR 46 H TYR 46 -2.193 -2.876 -8.225 458 HA TYR 46 HA TYR 46 -0.864 -3.808 -5.730 459 1HB TYR 46 2HB TYR 46 -3.228 -3.469 -5.543 460 2HB TYR 46 1HB TYR 46 -3.540 -4.329 -7.054 461 HD1 TYR 46 2HD TYR 46 -1.570 -5.043 -3.929 462 HD2 TYR 46 1HD TYR 46 -4.521 -6.422 -6.730 463 HE1 TYR 46 2HE TYR 46 -1.717 -7.199 -2.709 464 HE2 TYR 46 1HE TYR 46 -4.662 -8.579 -5.513 465 HH TYR 46 HH TYR 46 -3.990 -9.140 -2.698 466 QB TYR 46 QB TYR 46 -3.384 -3.899 -6.298 467 QG TYR 46 QD TYR 46 -3.046 -5.733 -5.329 468 QZ TYR 46 QE TYR 46 -3.190 -7.889 -4.111 469 QR TYR 46 QR TYR 46 -3.118 -6.811 -4.720 470 H ASP 47 H ASP 47 0.572 -5.465 -5.900 471 HA ASP 47 HA ASP 47 0.659 -7.125 -8.351 472 1HB ASP 47 2HB ASP 47 2.371 -6.731 -5.888 473 2HB ASP 47 1HB ASP 47 2.705 -8.025 -7.038 474 QB ASP 47 QB ASP 47 2.538 -7.378 -6.463 475 H ASP 48 H ASP 48 -1.102 -8.559 -8.193 476 HA ASP 48 HA ASP 48 -1.906 -9.877 -5.748 477 1HB ASP 48 2HB ASP 48 -3.371 -9.426 -7.683 478 2HB ASP 48 1HB ASP 48 -2.415 -10.535 -8.666 479 QB ASP 48 QB ASP 48 -2.893 -9.981 -8.175 480 H ALA 49 H ALA 49 0.852 -10.403 -7.609 481 HA ALA 49 HA ALA 49 0.918 -13.336 -7.347 482 1HB ALA 49 1HB ALA 49 2.465 -11.144 -8.638 483 2HB ALA 49 3HB ALA 49 3.387 -12.576 -8.178 484 3HB ALA 49 2HB ALA 49 2.016 -12.726 -9.278 485 QB ALA 49 QB ALA 49 2.622 -12.149 -8.698 486 H THR 50 H THR 50 2.143 -10.451 -5.750 487 HA THR 50 HA THR 50 3.308 -12.183 -3.609 488 HB THR 50 HB THR 50 5.224 -10.592 -3.549 489 HG1 THR 50 1HG THR 50 4.803 -8.757 -4.461 490 1HG2 THR 50 2HG2 THR 50 5.067 -12.693 -5.061 491 2HG2 THR 50 1HG2 THR 50 4.895 -11.542 -6.384 492 3HG2 THR 50 3HG2 THR 50 6.351 -11.530 -5.389 493 QG2 THR 50 QG2 THR 50 5.438 -11.922 -5.612 494 H LYS 51 H LYS 51 0.862 -10.200 -4.192 495 HA LYS 51 HA LYS 51 -0.353 -8.606 -2.981 496 1HB LYS 51 2HB LYS 51 1.106 -10.327 -0.990 497 2HB LYS 51 1HB LYS 51 -0.010 -9.068 -0.445 498 1HG LYS 51 2HG LYS 51 -1.394 -10.979 -0.676 499 2HG LYS 51 1HG LYS 51 -1.649 -10.062 -2.159 500 1HD LYS 51 2HD LYS 51 -0.672 -11.595 -3.469 501 2HD LYS 51 1HD LYS 51 0.586 -11.963 -2.287 502 1HE LYS 51 2HE LYS 51 -0.730 -13.956 -2.388 503 2HE LYS 51 1HE LYS 51 -1.322 -13.122 -0.937 504 1HZ LYS 51 1HZ LYS 51 -2.476 -12.705 -3.638 505 2HZ LYS 51 3HZ LYS 51 -3.100 -13.829 -2.533 506 3HZ LYS 51 2HZ LYS 51 -3.102 -12.174 -2.151 507 QB LYS 51 QB LYS 51 0.548 -9.697 -0.718 508 QG LYS 51 QG LYS 51 -1.522 -10.521 -1.418 509 QD LYS 51 QD LYS 51 -0.043 -11.779 -2.878 510 QE LYS 51 QE LYS 51 -1.026 -13.539 -1.662 511 QZ LYS 51 QZ LYS 51 -2.893 -12.903 -2.774 512 H THR 52 H THR 52 2.010 -7.525 -4.065 513 HA THR 52 HA THR 52 2.906 -5.653 -1.887 514 HB THR 52 HB THR 52 4.372 -6.451 -4.418 515 HG1 THR 52 1HG THR 52 4.711 -7.441 -1.785 516 1HG2 THR 52 1HG2 THR 52 5.053 -4.325 -3.325 517 2HG2 THR 52 3HG2 THR 52 5.332 -5.209 -1.826 518 3HG2 THR 52 2HG2 THR 52 6.319 -5.550 -3.247 519 QG2 THR 52 QG2 THR 52 5.568 -5.028 -2.799 520 H PHE 53 H PHE 53 1.549 -3.875 -2.243 521 HA PHE 53 HA PHE 53 0.601 -2.992 -4.790 522 1HB PHE 53 2HB PHE 53 0.978 -1.680 -2.089 523 2HB PHE 53 1HB PHE 53 0.204 -0.842 -3.437 524 HD1 PHE 53 1HD PHE 53 -0.069 -3.742 -1.119 525 HD2 PHE 53 2HD PHE 53 -2.020 -1.454 -4.200 526 HE1 PHE 53 1HE PHE 53 -2.219 -4.879 -0.611 527 HE2 PHE 53 2HE PHE 53 -4.148 -2.603 -3.692 528 1HZ PHE 53 HZ PHE 53 -4.248 -4.314 -1.908 529 QB PHE 53 QB PHE 53 0.591 -1.261 -2.763 530 QG PHE 53 QD PHE 53 -1.044 -2.598 -2.659 531 QZ PHE 53 QE PHE 53 -3.184 -3.741 -2.151 532 QZ PHE 53 QR PHE 53 -2.541 -3.398 -2.306 533 H THR 54 H THR 54 1.300 -0.420 -5.393 534 HA THR 54 HA THR 54 4.213 -0.034 -5.142 535 HB THR 54 HB THR 54 3.164 -0.189 -7.942 536 HG1 THR 54 1HG THR 54 3.951 -2.473 -6.457 537 1HG2 THR 54 2HG2 THR 54 5.482 0.533 -7.351 538 2HG2 THR 54 1HG2 THR 54 5.773 -1.077 -6.693 539 3HG2 THR 54 3HG2 THR 54 5.439 -0.874 -8.413 540 QG2 THR 54 QG2 THR 54 5.564 -0.473 -7.486 541 H VAL 55 H VAL 55 3.835 2.042 -4.399 542 HA VAL 55 HA VAL 55 2.029 3.742 -6.029 543 HB VAL 55 HB VAL 55 1.386 3.539 -3.726 544 1HG1 VAL 55 3HG1 VAL 55 4.241 4.333 -3.085 545 2HG1 VAL 55 2HG1 VAL 55 2.932 4.315 -1.903 546 3HG1 VAL 55 1HG1 VAL 55 3.423 2.815 -2.690 547 1HG2 VAL 55 3HG2 VAL 55 1.195 5.785 -4.769 548 2HG2 VAL 55 2HG2 VAL 55 1.416 5.874 -3.021 549 3HG2 VAL 55 1HG2 VAL 55 2.769 6.205 -4.103 550 QG1 VAL 55 QG1 VAL 55 3.532 3.821 -2.559 551 QG2 VAL 55 QG2 VAL 55 1.794 5.954 -3.964 552 QQG VAL 55 QQG VAL 55 2.663 4.888 -3.262 553 H THR 56 H THR 56 2.990 4.963 -7.479 554 HA THR 56 HA THR 56 5.805 5.821 -7.186 555 HB THR 56 HB THR 56 3.692 5.573 -9.298 556 HG1 THR 56 1HG THR 56 5.064 4.133 -9.869 557 1HG2 THR 56 2HG2 THR 56 6.060 7.442 -9.609 558 2HG2 THR 56 1HG2 THR 56 4.995 6.920 -10.913 559 3HG2 THR 56 3HG2 THR 56 4.358 7.914 -9.601 560 QG2 THR 56 QG2 THR 56 5.138 7.425 -10.041 561 H GLU 57 H GLU 57 6.156 8.255 -7.804 562 HA GLU 57 HA GLU 57 4.089 9.917 -6.398 563 1HB GLU 57 2HB GLU 57 6.278 9.590 -5.244 564 2HB GLU 57 1HB GLU 57 7.094 10.292 -6.642 565 1HG GLU 57 2HG GLU 57 6.126 12.424 -6.282 566 2HG GLU 57 1HG GLU 57 4.901 11.775 -5.190 567 QB GLU 57 QB GLU 57 6.686 9.941 -5.943 568 QG GLU 57 QG GLU 57 5.514 12.100 -5.736 No H/Q in entry = 568 Start of MODEL 44 1 1H MET 1 3HT MET 1 -3.727 -14.886 7.228 2 2H MET 1 2HT MET 1 -3.097 -15.432 8.708 3 3H MET 1 1HT MET 1 -3.733 -13.861 8.580 4 HA MET 1 HA MET 1 -1.397 -13.591 8.535 5 1HB MET 1 2HB MET 1 -0.053 -15.023 6.995 6 2HB MET 1 1HB MET 1 -0.944 -15.976 8.180 7 1HG MET 1 2HG MET 1 -2.319 -15.415 5.592 8 2HG MET 1 1HG MET 1 -0.979 -16.560 5.554 9 1HE MET 1 2HE MET 1 -1.845 -18.556 5.020 10 2HE MET 1 1HE MET 1 -3.212 -19.431 5.704 11 3HE MET 1 3HE MET 1 -3.487 -18.023 4.670 12 QB MET 1 QB MET 1 -0.499 -15.500 7.587 13 QG MET 1 QG MET 1 -1.649 -15.987 5.573 14 QE MET 1 QE MET 1 -2.848 -18.670 5.131 15 H THR 2 H THR 2 -3.157 -11.905 7.535 16 HA THR 2 HA THR 2 -2.908 -11.582 4.612 17 HB THR 2 HB THR 2 -4.180 -9.890 6.788 18 HG1 THR 2 1HG THR 2 -5.569 -11.445 6.761 19 1HG2 THR 2 2HG2 THR 2 -4.008 -9.671 3.824 20 2HG2 THR 2 1HG2 THR 2 -5.573 -9.320 4.555 21 3HG2 THR 2 3HG2 THR 2 -4.148 -8.398 5.037 22 QG2 THR 2 QG2 THR 2 -4.576 -9.130 4.472 23 H THR 3 H THR 3 -0.602 -11.164 4.401 24 HA THR 3 HA THR 3 0.351 -8.626 5.661 25 HB THR 3 HB THR 3 1.874 -10.894 4.343 26 HG1 THR 3 1HG THR 3 2.090 -11.710 6.312 27 1HG2 THR 3 1HG2 THR 3 2.632 -8.230 5.180 28 2HG2 THR 3 3HG2 THR 3 3.462 -9.432 6.172 29 3HG2 THR 3 2HG2 THR 3 3.621 -9.477 4.417 30 QG2 THR 3 QG2 THR 3 3.238 -9.046 5.256 31 H PHE 4 H PHE 4 0.110 -6.910 4.294 32 HA PHE 4 HA PHE 4 0.492 -7.377 1.352 33 1HB PHE 4 2HB PHE 4 -1.208 -5.542 3.025 34 2HB PHE 4 1HB PHE 4 -0.824 -5.107 1.360 35 HD1 PHE 4 1HD PHE 4 -1.033 -7.194 -0.339 36 HD2 PHE 4 2HD PHE 4 -3.176 -6.751 3.361 37 HE1 PHE 4 1HE PHE 4 -2.760 -8.769 -1.154 38 HE2 PHE 4 2HE PHE 4 -4.898 -8.332 2.537 39 1HZ PHE 4 HZ PHE 4 -4.696 -9.339 0.285 40 QB PHE 4 QB PHE 4 -1.016 -5.324 2.192 41 QG PHE 4 QD PHE 4 -2.104 -6.972 1.511 42 QZ PHE 4 QE PHE 4 -3.829 -8.551 0.691 43 QZ PHE 4 QR PHE 4 -3.312 -8.077 0.938 44 H LYS 5 H LYS 5 2.457 -6.646 0.664 45 HA LYS 5 HA LYS 5 3.948 -4.664 2.253 46 1HB LYS 5 2HB LYS 5 4.516 -6.262 -0.266 47 2HB LYS 5 1HB LYS 5 5.695 -5.196 0.501 48 1HG LYS 5 2HG LYS 5 5.744 -6.515 2.489 49 2HG LYS 5 1HG LYS 5 4.307 -7.418 2.010 50 1HD LYS 5 2HD LYS 5 6.627 -7.493 0.142 51 2HD LYS 5 1HD LYS 5 6.790 -8.386 1.654 52 1HE LYS 5 2HE LYS 5 4.356 -9.258 1.026 53 2HE LYS 5 1HE LYS 5 4.889 -8.849 -0.617 54 1HZ LYS 5 3HZ LYS 5 6.559 -10.399 1.283 55 2HZ LYS 5 2HZ LYS 5 5.515 -11.138 0.164 56 3HZ LYS 5 1HZ LYS 5 6.809 -10.183 -0.381 57 QB LYS 5 QB LYS 5 5.106 -5.729 0.117 58 QG LYS 5 QG LYS 5 5.026 -6.967 2.249 59 QD LYS 5 QD LYS 5 6.708 -7.939 0.898 60 QE LYS 5 QE LYS 5 4.622 -9.054 0.204 61 QZ LYS 5 QZ LYS 5 6.294 -10.573 0.355 62 H LEU 6 H LEU 6 5.081 -2.880 0.909 63 HA LEU 6 HA LEU 6 3.440 -1.836 -1.343 64 1HB LEU 6 2HB LEU 6 2.389 -1.020 0.730 65 2HB LEU 6 1HB LEU 6 3.946 -0.415 1.296 66 HG LEU 6 HG LEU 6 4.008 1.022 -0.814 67 1HD1 LEU 6 1HD1 LEU 6 1.131 0.080 -0.890 68 2HD1 LEU 6 3HD1 LEU 6 1.720 1.489 -1.770 69 3HD1 LEU 6 2HD1 LEU 6 2.349 -0.114 -2.149 70 1HD2 LEU 6 3HD2 LEU 6 3.061 1.551 1.661 71 2HD2 LEU 6 2HD2 LEU 6 3.065 2.751 0.369 72 3HD2 LEU 6 1HD2 LEU 6 1.595 1.844 0.724 73 QB LEU 6 QB LEU 6 3.168 -0.717 1.013 74 QD1 LEU 6 QD1 LEU 6 1.733 0.485 -1.603 75 QD2 LEU 6 QD2 LEU 6 2.573 2.049 0.918 76 QQD LEU 6 QQD LEU 6 2.153 1.267 -0.343 77 H ILE 7 H ILE 7 5.154 -1.730 -2.795 78 HA ILE 7 HA ILE 7 7.836 -0.867 -1.989 79 HB ILE 7 HB ILE 7 6.532 -1.388 -4.687 80 1HG1 ILE 7 2HG1 ILE 7 6.510 -3.360 -3.202 81 2HG1 ILE 7 1HG1 ILE 7 7.641 -3.594 -4.531 82 1HG2 ILE 7 1HG2 ILE 7 9.436 -1.079 -3.875 83 2HG2 ILE 7 3HG2 ILE 7 8.913 -1.713 -5.435 84 3HG2 ILE 7 2HG2 ILE 7 8.529 -0.051 -4.984 85 1HD1 ILE 7 3HD1 ILE 7 9.488 -2.823 -3.003 86 2HD1 ILE 7 2HD1 ILE 7 8.321 -2.812 -1.681 87 3HD1 ILE 7 1HD1 ILE 7 8.722 -4.326 -2.490 88 QG1 ILE 7 QG1 ILE 7 7.075 -3.477 -3.867 89 QG2 ILE 7 QG2 ILE 7 8.960 -0.948 -4.765 90 QD1 ILE 7 QD1 ILE 7 8.843 -3.320 -2.391 91 H ILE 8 H ILE 8 8.261 1.288 -1.708 92 HA ILE 8 HA ILE 8 6.484 3.251 -3.022 93 HB ILE 8 HB ILE 8 8.768 3.898 -1.165 94 1HG1 ILE 8 2HG1 ILE 8 7.266 2.044 -0.180 95 2HG1 ILE 8 1HG1 ILE 8 7.449 3.497 0.784 96 1HG2 ILE 8 3HG2 ILE 8 6.271 5.191 -2.166 97 2HG2 ILE 8 2HG2 ILE 8 6.809 5.600 -0.534 98 3HG2 ILE 8 1HG2 ILE 8 7.878 5.883 -1.909 99 1HD1 ILE 8 3HD1 ILE 8 5.183 3.496 -1.123 100 2HD1 ILE 8 2HD1 ILE 8 5.052 2.369 0.224 101 3HD1 ILE 8 1HD1 ILE 8 5.260 4.095 0.534 102 QG1 ILE 8 QG1 ILE 8 7.357 2.770 0.302 103 QG2 ILE 8 QG2 ILE 8 6.986 5.558 -1.536 104 QD1 ILE 8 QD1 ILE 8 5.165 3.320 -0.121 105 H ASN 9 H ASN 9 7.140 4.093 -4.982 106 HA ASN 9 HA ASN 9 10.084 4.206 -5.556 107 1HB ASN 9 2HB ASN 9 8.807 2.691 -6.996 108 2HB ASN 9 1HB ASN 9 7.658 3.970 -7.369 109 1HD2 ASN 9 2HD2 ASN 9 9.683 5.388 -9.897 110 2HD2 ASN 9 1HD2 ASN 9 8.200 5.429 -9.068 111 QB ASN 9 QB ASN 9 8.233 3.331 -7.183 112 QD2 ASN 9 QD2 ASN 9 8.942 5.408 -9.482 113 H GLY 10 H GLY 10 10.388 6.317 -4.646 114 1HA GLY 10 2HA GLY 10 9.994 8.533 -6.368 115 2HA GLY 10 1HA GLY 10 8.718 8.577 -5.151 116 QA GLY 10 QA GLY 10 9.356 8.555 -5.759 117 H LYS 11 H LYS 11 10.307 10.685 -4.993 118 HA LYS 11 HA LYS 11 12.775 10.475 -3.582 119 1HB LYS 11 2HB LYS 11 12.319 12.854 -3.039 120 2HB LYS 11 1HB LYS 11 11.941 12.497 -4.722 121 1HG LYS 11 2HG LYS 11 9.530 11.998 -3.734 122 2HG LYS 11 1HG LYS 11 10.081 13.059 -2.441 123 1HD LYS 11 2HD LYS 11 10.734 14.141 -5.076 124 2HD LYS 11 1HD LYS 11 9.004 13.861 -4.895 125 1HE LYS 11 2HE LYS 11 9.594 15.000 -2.472 126 2HE LYS 11 1HE LYS 11 10.727 15.846 -3.544 127 1HZ LYS 11 2HZ LYS 11 7.850 15.435 -4.156 128 2HZ LYS 11 1HZ LYS 11 8.478 16.865 -3.486 129 3HZ LYS 11 3HZ LYS 11 8.957 16.374 -5.037 130 QB LYS 11 QB LYS 11 12.130 12.675 -3.880 131 QG LYS 11 QG LYS 11 9.805 12.528 -3.088 132 QD LYS 11 QD LYS 11 9.869 14.001 -4.985 133 QE LYS 11 QE LYS 11 10.160 15.423 -3.008 134 QZ LYS 11 QZ LYS 11 8.428 16.225 -4.226 135 H THR 12 H THR 12 9.427 10.504 -2.431 136 HA THR 12 HA THR 12 10.276 10.513 0.408 137 HB THR 12 HB THR 12 7.741 10.443 0.688 138 HG1 THR 12 1HG THR 12 6.585 10.822 -1.256 139 1HG2 THR 12 3HG2 THR 12 9.440 12.548 -0.213 140 2HG2 THR 12 2HG2 THR 12 7.899 12.717 -1.053 141 3HG2 THR 12 1HG2 THR 12 7.942 12.680 0.709 142 QG2 THR 12 QG2 THR 12 8.427 12.648 -0.185 143 H LEU 13 H LEU 13 10.417 8.658 1.619 144 HA LEU 13 HA LEU 13 10.382 6.369 2.183 145 1HB LEU 13 2HB LEU 13 7.836 7.025 0.843 146 2HB LEU 13 1HB LEU 13 8.250 5.313 0.773 147 HG LEU 13 HG LEU 13 8.264 6.954 3.317 148 1HD1 LEU 13 1HD1 LEU 13 6.148 5.227 2.020 149 2HD1 LEU 13 3HD1 LEU 13 6.188 5.471 3.769 150 3HD1 LEU 13 2HD1 LEU 13 5.984 6.853 2.691 151 1HD2 LEU 13 2HD2 LEU 13 9.581 4.637 2.820 152 2HD2 LEU 13 1HD2 LEU 13 8.895 5.027 4.397 153 3HD2 LEU 13 3HD2 LEU 13 8.007 3.990 3.281 154 QB LEU 13 QB LEU 13 8.043 6.169 0.808 155 QD1 LEU 13 QD1 LEU 13 6.107 5.850 2.827 156 QD2 LEU 13 QD2 LEU 13 8.828 4.551 3.499 157 QQD LEU 13 QQD LEU 13 7.467 5.201 3.163 158 H LYS 14 H LYS 14 10.738 4.174 1.224 159 HA LYS 14 HA LYS 14 11.019 3.749 -1.587 160 1HB LYS 14 2HB LYS 14 13.532 3.793 -1.653 161 2HB LYS 14 1HB LYS 14 12.817 5.380 -1.384 162 1HG LYS 14 2HG LYS 14 13.108 4.821 1.151 163 2HG LYS 14 1HG LYS 14 14.244 3.598 0.584 164 1HD LYS 14 2HD LYS 14 14.402 6.502 -0.247 165 2HD LYS 14 1HD LYS 14 15.284 5.843 1.131 166 1HE LYS 14 2HE LYS 14 16.219 4.083 -0.493 167 2HE LYS 14 1HE LYS 14 15.592 5.116 -1.793 168 1HZ LYS 14 3HZ LYS 14 16.787 6.987 -0.843 169 2HZ LYS 14 2HZ LYS 14 17.394 6.001 0.401 170 3HZ LYS 14 1HZ LYS 14 17.866 5.731 -1.208 171 QB LYS 14 QB LYS 14 13.175 4.586 -1.518 172 QG LYS 14 QG LYS 14 13.676 4.209 0.867 173 QD LYS 14 QD LYS 14 14.843 6.172 0.442 174 QE LYS 14 QE LYS 14 15.905 4.600 -1.143 175 QZ LYS 14 QZ LYS 14 17.349 6.240 -0.550 176 H GLY 15 H GLY 15 10.097 1.711 -1.060 177 1HA GLY 15 2HA GLY 15 11.351 -0.595 -0.917 178 2HA GLY 15 1HA GLY 15 11.699 -0.061 0.727 179 QA GLY 15 QA GLY 15 11.525 -0.328 -0.095 180 H GLU 16 H GLU 16 10.379 -2.350 0.659 181 HA GLU 16 HA GLU 16 7.470 -2.007 0.589 182 1HB GLU 16 2HB GLU 16 7.494 -4.389 1.100 183 2HB GLU 16 1HB GLU 16 8.737 -4.056 -0.103 184 1HG GLU 16 2HG GLU 16 10.292 -3.782 2.015 185 2HG GLU 16 1HG GLU 16 9.050 -4.760 2.796 186 QB GLU 16 QB GLU 16 8.116 -4.223 0.498 187 QG GLU 16 QG GLU 16 9.671 -4.271 2.406 188 H ILE 17 H ILE 17 6.085 -2.108 2.437 189 HA ILE 17 HA ILE 17 7.431 -1.507 5.051 190 HB ILE 17 HB ILE 17 4.757 -0.609 3.922 191 1HG1 ILE 17 2HG1 ILE 17 7.149 1.128 4.537 192 2HG1 ILE 17 1HG1 ILE 17 6.983 0.339 2.968 193 1HG2 ILE 17 2HG2 ILE 17 4.815 -0.844 6.414 194 2HG2 ILE 17 1HG2 ILE 17 6.189 0.261 6.452 195 3HG2 ILE 17 3HG2 ILE 17 4.618 0.828 5.887 196 1HD1 ILE 17 3HD1 ILE 17 4.672 1.897 4.088 197 2HD1 ILE 17 2HD1 ILE 17 6.003 2.754 3.308 198 3HD1 ILE 17 1HD1 ILE 17 5.073 1.557 2.406 199 QG1 ILE 17 QG1 ILE 17 7.066 0.734 3.753 200 QG2 ILE 17 QG2 ILE 17 5.208 0.082 6.251 201 QD1 ILE 17 QD1 ILE 17 5.249 2.069 3.268 202 H THR 18 H THR 18 5.165 -3.570 3.393 203 HA THR 18 HA THR 18 3.933 -5.441 4.086 204 HB THR 18 HB THR 18 4.885 -6.754 5.780 205 HG1 THR 18 1HG THR 18 5.506 -6.003 7.654 206 1HG2 THR 18 3HG2 THR 18 6.625 -5.476 4.071 207 2HG2 THR 18 2HG2 THR 18 7.368 -5.193 5.645 208 3HG2 THR 18 1HG2 THR 18 7.040 -6.841 5.108 209 QG2 THR 18 QG2 THR 18 7.011 -5.836 4.941 210 H ILE 19 H ILE 19 1.856 -5.494 4.805 211 HA ILE 19 HA ILE 19 1.124 -3.639 7.054 212 HB ILE 19 HB ILE 19 0.298 -3.730 4.327 213 1HG1 ILE 19 2HG1 ILE 19 -0.578 -2.154 6.752 214 2HG1 ILE 19 1HG1 ILE 19 0.537 -1.656 5.480 215 1HG2 ILE 19 3HG2 ILE 19 -1.369 -5.472 5.043 216 2HG2 ILE 19 2HG2 ILE 19 -2.069 -4.278 6.137 217 3HG2 ILE 19 1HG2 ILE 19 -2.105 -4.005 4.395 218 1HD1 ILE 19 3HD1 ILE 19 -1.661 -2.101 3.969 219 2HD1 ILE 19 2HD1 ILE 19 -2.450 -1.680 5.489 220 3HD1 ILE 19 1HD1 ILE 19 -1.335 -0.540 4.729 221 QG1 ILE 19 QG1 ILE 19 -0.021 -1.905 6.116 222 QG2 ILE 19 QG2 ILE 19 -1.848 -4.585 5.191 223 QD1 ILE 19 QD1 ILE 19 -1.815 -1.441 4.729 224 H GLU 20 H GLU 20 -0.904 -4.272 8.152 225 HA GLU 20 HA GLU 20 -1.340 -7.233 8.302 226 1HB GLU 20 2HB GLU 20 -1.675 -6.837 10.766 227 2HB GLU 20 1HB GLU 20 -0.036 -6.455 10.244 228 1HG GLU 20 2HG GLU 20 -0.260 -4.272 10.792 229 2HG GLU 20 1HG GLU 20 -1.834 -4.154 10.008 230 QB GLU 20 QB GLU 20 -0.855 -6.646 10.505 231 QG GLU 20 QG GLU 20 -1.047 -4.213 10.400 232 H ALA 21 H ALA 21 -2.990 -6.392 6.638 233 HA ALA 21 HA ALA 21 -5.311 -5.018 7.904 234 1HB ALA 21 3HB ALA 21 -4.422 -5.414 5.022 235 2HB ALA 21 2HB ALA 21 -5.842 -4.490 5.523 236 3HB ALA 21 1HB ALA 21 -4.226 -3.935 5.972 237 QB ALA 21 QB ALA 21 -4.830 -4.613 5.506 238 H VAL 22 H VAL 22 -7.407 -5.750 6.638 239 HA VAL 22 HA VAL 22 -7.729 -8.563 7.181 240 HB VAL 22 HB VAL 22 -9.406 -6.809 7.736 241 1HG1 VAL 22 2HG1 VAL 22 -8.945 -5.531 5.522 242 2HG1 VAL 22 1HG1 VAL 22 -10.054 -6.685 4.785 243 3HG1 VAL 22 3HG1 VAL 22 -10.617 -5.622 6.073 244 1HG2 VAL 22 1HG2 VAL 22 -9.927 -9.310 7.065 245 2HG2 VAL 22 3HG2 VAL 22 -11.246 -8.168 7.317 246 3HG2 VAL 22 2HG2 VAL 22 -10.717 -8.556 5.680 247 QG1 VAL 22 QG1 VAL 22 -9.872 -5.946 5.460 248 QG2 VAL 22 QG2 VAL 22 -10.630 -8.678 6.687 249 QQG VAL 22 QQG VAL 22 -10.251 -7.312 6.074 250 H ASP 23 H ASP 23 -7.784 -6.524 4.283 251 HA ASP 23 HA ASP 23 -7.239 -8.911 2.604 252 1HB ASP 23 2HB ASP 23 -9.627 -7.063 2.482 253 2HB ASP 23 1HB ASP 23 -9.072 -7.916 1.040 254 QB ASP 23 QB ASP 23 -9.349 -7.489 1.761 255 H ALA 24 H ALA 24 -6.740 -8.064 0.277 256 HA ALA 24 HA ALA 24 -4.676 -6.095 0.440 257 1HB ALA 24 2HB ALA 24 -5.356 -8.010 -1.310 258 2HB ALA 24 1HB ALA 24 -6.076 -6.635 -2.149 259 3HB ALA 24 3HB ALA 24 -4.350 -6.641 -1.785 260 QB ALA 24 QB ALA 24 -5.261 -7.095 -1.748 261 H ALA 25 H ALA 25 -8.081 -5.888 -0.572 262 HA ALA 25 HA ALA 25 -8.166 -3.283 -1.632 263 1HB ALA 25 3HB ALA 25 -10.022 -5.167 -0.267 264 2HB ALA 25 2HB ALA 25 -10.554 -3.490 -0.383 265 3HB ALA 25 1HB ALA 25 -10.171 -4.398 -1.846 266 QB ALA 25 QB ALA 25 -10.249 -4.352 -0.832 267 H GLU 26 H GLU 26 -8.422 -4.350 1.759 268 HA GLU 26 HA GLU 26 -8.778 -1.708 2.883 269 1HB GLU 26 2HB GLU 26 -9.114 -4.195 3.792 270 2HB GLU 26 1HB GLU 26 -7.461 -3.961 4.364 271 1HG GLU 26 2HG GLU 26 -8.588 -3.091 6.177 272 2HG GLU 26 1HG GLU 26 -8.486 -1.631 5.193 273 QB GLU 26 QB GLU 26 -8.288 -4.078 4.078 274 QG GLU 26 QG GLU 26 -8.537 -2.361 5.685 275 H ALA 27 H ALA 27 -5.929 -3.875 2.607 276 HA ALA 27 HA ALA 27 -3.948 -2.202 3.729 277 1HB ALA 27 1HB ALA 27 -3.851 -4.094 1.354 278 2HB ALA 27 3HB ALA 27 -2.417 -3.424 2.137 279 3HB ALA 27 2HB ALA 27 -3.501 -4.487 3.040 280 QB ALA 27 QB ALA 27 -3.256 -4.002 2.177 281 H GLU 28 H GLU 28 -5.253 -2.200 0.405 282 HA GLU 28 HA GLU 28 -3.514 -0.230 -0.715 283 1HB GLU 28 2HB GLU 28 -5.293 -1.803 -1.780 284 2HB GLU 28 1HB GLU 28 -6.445 -0.528 -1.386 285 1HG GLU 28 2HG GLU 28 -4.719 1.050 -2.561 286 2HG GLU 28 1HG GLU 28 -4.113 -0.435 -3.298 287 QB GLU 28 QB GLU 28 -5.869 -1.165 -1.583 288 QG GLU 28 QG GLU 28 -4.416 0.308 -2.929 289 H LYS 29 H LYS 29 -6.602 0.073 1.058 290 HA LYS 29 HA LYS 29 -6.806 2.950 0.830 291 1HB LYS 29 2HB LYS 29 -7.877 0.896 2.793 292 2HB LYS 29 1HB LYS 29 -8.371 2.588 2.799 293 1HG LYS 29 2HG LYS 29 -8.576 1.638 0.105 294 2HG LYS 29 1HG LYS 29 -9.356 0.454 1.152 295 1HD LYS 29 2HD LYS 29 -11.015 2.099 0.525 296 2HD LYS 29 1HD LYS 29 -10.624 2.345 2.228 297 1HE LYS 29 2HE LYS 29 -8.797 4.005 1.202 298 2HE LYS 29 1HE LYS 29 -9.971 4.069 -0.128 299 1HZ LYS 29 3HZ LYS 29 -10.724 4.347 2.729 300 2HZ LYS 29 2HZ LYS 29 -10.410 5.677 1.720 301 3HZ LYS 29 1HZ LYS 29 -11.702 4.629 1.373 302 QB LYS 29 QB LYS 29 -8.124 1.742 2.796 303 QG LYS 29 QG LYS 29 -8.966 1.046 0.629 304 QD LYS 29 QD LYS 29 -10.820 2.222 1.376 305 QE LYS 29 QE LYS 29 -9.384 4.037 0.537 306 QZ LYS 29 QZ LYS 29 -10.946 4.884 1.940 307 H ILE 30 H ILE 30 -5.637 0.802 3.440 308 HA ILE 30 HA ILE 30 -4.742 2.818 5.252 309 HB ILE 30 HB ILE 30 -3.689 0.019 4.687 310 1HG1 ILE 30 2HG1 ILE 30 -5.568 0.788 6.910 311 2HG1 ILE 30 1HG1 ILE 30 -6.204 0.467 5.299 312 1HG2 ILE 30 1HG2 ILE 30 -3.209 1.997 6.897 313 2HG2 ILE 30 3HG2 ILE 30 -3.197 0.272 7.262 314 3HG2 ILE 30 2HG2 ILE 30 -2.060 0.934 6.087 315 1HD1 ILE 30 1HD1 ILE 30 -4.370 -1.626 5.857 316 2HD1 ILE 30 3HD1 ILE 30 -5.353 -1.419 7.308 317 3HD1 ILE 30 2HD1 ILE 30 -6.127 -1.737 5.756 318 QG1 ILE 30 QG1 ILE 30 -5.886 0.628 6.105 319 QG2 ILE 30 QG2 ILE 30 -2.822 1.068 6.749 320 QD1 ILE 30 QD1 ILE 30 -5.284 -1.594 6.307 321 H PHE 31 H PHE 31 -3.126 1.200 2.531 322 HA PHE 31 HA PHE 31 -0.564 2.527 2.906 323 1HB PHE 31 2HB PHE 31 -1.935 0.840 0.824 324 2HB PHE 31 1HB PHE 31 -0.447 1.672 0.393 325 HD1 PHE 31 1HD PHE 31 1.140 1.543 2.863 326 HD2 PHE 31 2HD PHE 31 -1.410 -1.414 1.070 327 HE1 PHE 31 1HE PHE 31 2.455 -0.257 3.954 328 HE2 PHE 31 2HE PHE 31 -0.078 -3.210 2.149 329 1HZ PHE 31 HZ PHE 31 1.851 -2.626 3.588 330 QB PHE 31 QB PHE 31 -1.191 1.256 0.608 331 QG PHE 31 QD PHE 31 -0.135 0.064 1.967 332 QZ PHE 31 QE PHE 31 1.188 -1.733 3.051 333 QZ PHE 31 QR PHE 31 0.792 -1.193 2.725 334 H LYS 32 H LYS 32 -3.436 3.081 0.899 335 HA LYS 32 HA LYS 32 -2.347 5.295 -0.582 336 1HB LYS 32 2HB LYS 32 -5.085 4.150 -0.080 337 2HB LYS 32 1HB LYS 32 -4.874 5.611 -1.040 338 1HG LYS 32 2HG LYS 32 -3.024 3.456 -1.804 339 2HG LYS 32 1HG LYS 32 -4.721 3.025 -2.017 340 1HD LYS 32 2HD LYS 32 -3.426 5.548 -3.097 341 2HD LYS 32 1HD LYS 32 -3.773 4.103 -4.046 342 1HE LYS 32 2HE LYS 32 -6.160 4.902 -2.611 343 2HE LYS 32 1HE LYS 32 -5.534 6.266 -3.556 344 1HZ LYS 32 3HZ LYS 32 -5.765 3.515 -4.641 345 2HZ LYS 32 2HZ LYS 32 -6.985 4.683 -4.823 346 3HZ LYS 32 1HZ LYS 32 -5.449 4.943 -5.501 347 QB LYS 32 QB LYS 32 -4.980 4.881 -0.560 348 QG LYS 32 QG LYS 32 -3.873 3.241 -1.910 349 QD LYS 32 QD LYS 32 -3.600 4.825 -3.572 350 QE LYS 32 QE LYS 32 -5.847 5.584 -3.084 351 QZ LYS 32 QZ LYS 32 -6.066 4.380 -4.988 352 H GLN 33 H GLN 33 -3.182 5.110 2.686 353 HA GLN 33 HA GLN 33 -3.957 8.026 2.767 354 1HB GLN 33 2HB GLN 33 -5.493 6.232 3.754 355 2HB GLN 33 1HB GLN 33 -4.211 5.886 4.913 356 1HG GLN 33 2HG GLN 33 -4.621 7.770 6.120 357 2HG GLN 33 1HG GLN 33 -4.881 8.751 4.678 358 1HE2 GLN 33 2HE2 GLN 33 -8.391 7.620 4.453 359 2HE2 GLN 33 1HE2 GLN 33 -7.041 7.698 3.429 360 QB GLN 33 QB GLN 33 -4.852 6.059 4.334 361 QG GLN 33 QG GLN 33 -4.751 8.260 5.399 362 QE2 GLN 33 QE2 GLN 33 -7.716 7.659 3.941 363 H TYR 34 H TYR 34 -2.110 5.430 4.180 364 HA TYR 34 HA TYR 34 -0.302 6.742 5.902 365 1HB TYR 34 2HB TYR 34 -0.532 4.377 5.836 366 2HB TYR 34 1HB TYR 34 -0.392 4.338 4.076 367 HD1 TYR 34 1HD TYR 34 1.880 4.722 3.027 368 HD2 TYR 34 2HD TYR 34 1.385 4.256 7.268 369 HE1 TYR 34 1HE TYR 34 4.308 4.268 3.260 370 HE2 TYR 34 2HE TYR 34 3.812 3.801 7.502 371 HH TYR 34 HH TYR 34 5.669 2.966 6.068 372 QB TYR 34 QB TYR 34 -0.462 4.357 4.956 373 QG TYR 34 QD TYR 34 1.632 4.489 5.147 374 QZ TYR 34 QE TYR 34 4.060 4.035 5.381 375 QR TYR 34 QR TYR 34 2.846 4.262 5.264 376 H ALA 35 H ALA 35 -0.113 6.056 2.403 377 HA ALA 35 HA ALA 35 2.469 7.210 1.888 378 1HB ALA 35 3HB ALA 35 -0.004 6.561 0.283 379 2HB ALA 35 2HB ALA 35 1.377 7.361 -0.475 380 3HB ALA 35 1HB ALA 35 1.574 5.768 0.253 381 QB ALA 35 QB ALA 35 0.983 6.563 0.020 382 H ASN 36 H ASN 36 -0.783 8.523 1.141 383 HA ASN 36 HA ASN 36 -0.024 11.130 0.374 384 1HB ASN 36 2HB ASN 36 -2.464 9.909 1.647 385 2HB ASN 36 1HB ASN 36 -2.414 11.630 1.268 386 1HD2 ASN 36 2HD2 ASN 36 -2.595 8.903 -1.786 387 2HD2 ASN 36 1HD2 ASN 36 -2.232 8.383 -0.212 388 QB ASN 36 QB ASN 36 -2.439 10.769 1.457 389 QD2 ASN 36 QD2 ASN 36 -2.414 8.643 -0.999 390 H ASP 37 H ASP 37 -0.957 9.991 3.642 391 HA ASP 37 HA ASP 37 -0.703 12.453 5.019 392 1HB ASP 37 2HB ASP 37 -1.563 10.091 5.721 393 2HB ASP 37 1HB ASP 37 0.112 9.805 6.194 394 QB ASP 37 QB ASP 37 -0.725 9.948 5.958 395 H ASN 38 H ASN 38 1.734 10.222 3.932 396 HA ASN 38 HA ASN 38 3.874 11.601 5.393 397 1HB ASN 38 2HB ASN 38 3.527 9.071 3.829 398 2HB ASN 38 1HB ASN 38 5.156 9.705 4.066 399 1HD2 ASN 38 2HD2 ASN 38 5.247 8.931 7.534 400 2HD2 ASN 38 1HD2 ASN 38 6.001 9.777 6.271 401 QB ASN 38 QB ASN 38 4.341 9.388 3.948 402 QD2 ASN 38 QD2 ASN 38 5.624 9.354 6.902 403 H GLY 39 H GLY 39 2.545 11.283 2.166 404 1HA GLY 39 2HA GLY 39 2.923 13.152 0.584 405 2HA GLY 39 1HA GLY 39 4.582 13.235 1.179 406 QA GLY 39 QA GLY 39 3.753 13.194 0.881 407 H ILE 40 H ILE 40 3.024 10.140 0.590 408 HA ILE 40 HA ILE 40 5.013 9.627 -1.565 409 HB ILE 40 HB ILE 40 3.474 8.036 0.460 410 1HG1 ILE 40 2HG1 ILE 40 5.804 7.044 0.711 411 2HG1 ILE 40 1HG1 ILE 40 6.343 8.284 -0.423 412 1HG2 ILE 40 2HG2 ILE 40 4.054 7.068 -2.232 413 2HG2 ILE 40 1HG2 ILE 40 4.858 6.104 -0.996 414 3HG2 ILE 40 3HG2 ILE 40 3.113 6.317 -0.945 415 1HD1 ILE 40 2HD1 ILE 40 4.724 8.991 2.015 416 2HD1 ILE 40 1HD1 ILE 40 6.482 8.836 2.093 417 3HD1 ILE 40 3HD1 ILE 40 5.747 10.038 1.027 418 QG1 ILE 40 QG1 ILE 40 6.073 7.664 0.144 419 QG2 ILE 40 QG2 ILE 40 4.009 6.496 -1.391 420 QD1 ILE 40 QD1 ILE 40 5.651 9.288 1.712 421 H ASP 41 H ASP 41 3.649 10.983 -2.998 422 HA ASP 41 HA ASP 41 1.005 9.976 -3.824 423 1HB ASP 41 2HB ASP 41 2.878 12.215 -4.455 424 2HB ASP 41 1HB ASP 41 1.730 11.764 -5.717 425 QB ASP 41 QB ASP 41 2.304 11.989 -5.086 426 H GLY 42 H GLY 42 1.031 9.926 -6.553 427 1HA GLY 42 2HA GLY 42 2.646 9.100 -8.352 428 2HA GLY 42 1HA GLY 42 3.096 7.883 -7.173 429 QA GLY 42 QA GLY 42 2.871 8.492 -7.763 430 H GLU 43 H GLU 43 2.537 6.581 -9.185 431 HA GLU 43 HA GLU 43 -0.341 6.140 -9.699 432 1HB GLU 43 2HB GLU 43 1.484 6.090 -11.417 433 2HB GLU 43 1HB GLU 43 2.161 4.677 -10.599 434 1HG GLU 43 2HG GLU 43 0.457 3.284 -11.301 435 2HG GLU 43 1HG GLU 43 -0.730 4.587 -11.351 436 QB GLU 43 QB GLU 43 1.822 5.383 -11.008 437 QG GLU 43 QG GLU 43 -0.136 3.936 -11.326 438 H TRP 44 H TRP 44 -1.546 4.541 -8.683 439 HA TRP 44 HA TRP 44 -0.146 2.720 -6.767 440 1HB TRP 44 2HB TRP 44 -2.914 3.842 -7.117 441 2HB TRP 44 1HB TRP 44 -2.660 2.402 -6.119 442 HD1 TRP 44 HD TRP 44 -1.716 6.106 -6.323 443 HE1 TRP 44 1HE TRP 44 -0.795 6.828 -4.024 444 HE3 TRP 44 3HE TRP 44 -1.589 1.578 -3.993 445 HZ2 TRP 44 2HZ TRP 44 -0.097 5.629 -1.530 446 HZ3 TRP 44 3HZ TRP 44 -0.787 1.395 -1.648 447 HH2 TRP 44 HH TRP 44 -0.035 3.415 -0.420 448 QB TRP 44 QB TRP 44 -2.787 3.122 -6.618 449 H THR 45 H THR 45 -0.046 0.579 -7.108 450 HA THR 45 HA THR 45 -1.911 -0.732 -9.024 451 HB THR 45 HB THR 45 -0.121 -1.638 -10.334 452 HG1 THR 45 1HG THR 45 1.759 -1.964 -9.492 453 1HG2 THR 45 3HG2 THR 45 -0.617 0.743 -10.818 454 2HG2 THR 45 2HG2 THR 45 0.655 1.215 -9.688 455 3HG2 THR 45 1HG2 THR 45 1.066 0.335 -11.163 456 QG2 THR 45 QG2 THR 45 0.368 0.764 -10.557 457 H TYR 46 H TYR 46 -2.486 -2.714 -8.236 458 HA TYR 46 HA TYR 46 -1.105 -3.683 -5.781 459 1HB TYR 46 2HB TYR 46 -3.488 -3.363 -5.613 460 2HB TYR 46 1HB TYR 46 -3.773 -4.263 -7.105 461 HD1 TYR 46 2HD TYR 46 -1.895 -4.799 -3.895 462 HD2 TYR 46 1HD TYR 46 -4.599 -6.422 -6.809 463 HE1 TYR 46 2HE TYR 46 -2.010 -6.910 -2.608 464 HE2 TYR 46 1HE TYR 46 -4.709 -8.542 -5.525 465 HH TYR 46 HH TYR 46 -3.405 -9.769 -3.891 466 QB TYR 46 QB TYR 46 -3.631 -3.813 -6.359 467 QG TYR 46 QD TYR 46 -3.247 -5.610 -5.352 468 QZ TYR 46 QE TYR 46 -3.359 -7.726 -4.066 469 QR TYR 46 QR TYR 46 -3.303 -6.668 -4.709 470 H ASP 47 H ASP 47 -0.112 -5.709 -5.724 471 HA ASP 47 HA ASP 47 0.130 -7.158 -8.338 472 1HB ASP 47 2HB ASP 47 1.978 -6.934 -5.937 473 2HB ASP 47 1HB ASP 47 2.324 -7.882 -7.383 474 QB ASP 47 QB ASP 47 2.151 -7.408 -6.660 475 H ASP 48 H ASP 48 -1.487 -8.729 -8.134 476 HA ASP 48 HA ASP 48 -2.115 -10.104 -5.671 477 1HB ASP 48 2HB ASP 48 -3.642 -9.759 -7.604 478 2HB ASP 48 1HB ASP 48 -2.644 -10.857 -8.559 479 QB ASP 48 QB ASP 48 -3.143 -10.308 -8.082 480 H ALA 49 H ALA 49 0.582 -10.421 -7.685 481 HA ALA 49 HA ALA 49 0.910 -13.332 -7.390 482 1HB ALA 49 1HB ALA 49 1.656 -11.503 -9.256 483 2HB ALA 49 3HB ALA 49 3.124 -11.554 -8.280 484 3HB ALA 49 2HB ALA 49 2.506 -13.030 -9.021 485 QB ALA 49 QB ALA 49 2.429 -12.029 -8.852 486 H THR 50 H THR 50 1.991 -10.332 -5.894 487 HA THR 50 HA THR 50 3.523 -11.948 -3.885 488 HB THR 50 HB THR 50 5.119 -10.038 -3.843 489 HG1 THR 50 1HG THR 50 4.867 -8.507 -5.575 490 1HG2 THR 50 1HG2 THR 50 5.098 -12.049 -5.582 491 2HG2 THR 50 3HG2 THR 50 4.865 -10.736 -6.736 492 3HG2 THR 50 2HG2 THR 50 6.292 -10.755 -5.699 493 QG2 THR 50 QG2 THR 50 5.418 -11.180 -6.005 494 H LYS 51 H LYS 51 0.772 -10.211 -4.291 495 HA LYS 51 HA LYS 51 -0.624 -8.967 -2.851 496 1HB LYS 51 2HB LYS 51 1.247 -10.215 -0.805 497 2HB LYS 51 1HB LYS 51 -0.360 -9.573 -0.471 498 1HG LYS 51 2HG LYS 51 0.202 -11.838 -2.407 499 2HG LYS 51 1HG LYS 51 -0.333 -12.064 -0.742 500 1HD LYS 51 2HD LYS 51 -2.364 -10.721 -1.231 501 2HD LYS 51 1HD LYS 51 -1.837 -10.565 -2.908 502 1HE LYS 51 2HE LYS 51 -3.136 -12.448 -3.184 503 2HE LYS 51 1HE LYS 51 -1.682 -13.274 -2.591 504 1HZ LYS 51 3HZ LYS 51 -3.839 -12.200 -0.852 505 2HZ LYS 51 2HZ LYS 51 -3.682 -13.835 -1.288 506 3HZ LYS 51 1HZ LYS 51 -2.483 -13.083 -0.347 507 QB LYS 51 QB LYS 51 0.443 -9.894 -0.638 508 QG LYS 51 QG LYS 51 -0.065 -11.951 -1.575 509 QD LYS 51 QD LYS 51 -2.100 -10.643 -2.069 510 QE LYS 51 QE LYS 51 -2.409 -12.861 -2.888 511 QZ LYS 51 QZ LYS 51 -3.334 -13.039 -0.829 512 H THR 52 H THR 52 1.576 -7.532 -4.005 513 HA THR 52 HA THR 52 2.191 -5.599 -1.782 514 HB THR 52 HB THR 52 3.919 -6.417 -4.139 515 HG1 THR 52 1HG THR 52 3.783 -8.065 -2.633 516 1HG2 THR 52 1HG2 THR 52 4.461 -4.663 -1.727 517 2HG2 THR 52 3HG2 THR 52 5.680 -5.176 -2.894 518 3HG2 THR 52 2HG2 THR 52 4.356 -4.129 -3.405 519 QG2 THR 52 QG2 THR 52 4.832 -4.656 -2.675 520 H PHE 53 H PHE 53 1.617 -3.500 -2.217 521 HA PHE 53 HA PHE 53 0.418 -2.850 -4.831 522 1HB PHE 53 2HB PHE 53 0.722 -1.446 -2.164 523 2HB PHE 53 1HB PHE 53 -0.070 -0.691 -3.548 524 HD1 PHE 53 2HD PHE 53 -0.218 -3.538 -1.166 525 HD2 PHE 53 1HD PHE 53 -2.286 -1.357 -4.245 526 HE1 PHE 53 2HE PHE 53 -2.320 -4.751 -0.621 527 HE2 PHE 53 1HE PHE 53 -4.368 -2.574 -3.700 528 1HZ PHE 53 HZ PHE 53 -4.386 -4.271 -1.896 529 QB PHE 53 QB PHE 53 0.326 -1.068 -2.856 530 QG PHE 53 QD PHE 53 -1.252 -2.448 -2.705 531 QZ PHE 53 QE PHE 53 -3.344 -3.663 -2.160 532 QZ PHE 53 QR PHE 53 -2.716 -3.298 -2.325 533 H THR 54 H THR 54 1.114 -0.226 -5.372 534 HA THR 54 HA THR 54 4.023 0.139 -5.074 535 HB THR 54 HB THR 54 2.909 -0.057 -7.868 536 HG1 THR 54 1HG THR 54 3.143 -2.182 -7.887 537 1HG2 THR 54 1HG2 THR 54 5.560 0.032 -6.530 538 2HG2 THR 54 3HG2 THR 54 5.435 -0.970 -7.976 539 3HG2 THR 54 2HG2 THR 54 5.044 0.749 -8.056 540 QG2 THR 54 QG2 THR 54 5.347 -0.063 -7.521 541 H VAL 55 H VAL 55 4.097 2.279 -4.649 542 HA VAL 55 HA VAL 55 2.202 4.094 -6.093 543 HB VAL 55 HB VAL 55 1.628 4.082 -3.790 544 1HG1 VAL 55 1HG1 VAL 55 4.587 4.285 -3.155 545 2HG1 VAL 55 3HG1 VAL 55 3.281 4.369 -1.965 546 3HG1 VAL 55 2HG1 VAL 55 3.530 2.885 -2.894 547 1HG2 VAL 55 1HG2 VAL 55 1.927 6.371 -4.742 548 2HG2 VAL 55 3HG2 VAL 55 2.137 6.308 -2.989 549 3HG2 VAL 55 2HG2 VAL 55 3.548 6.408 -4.049 550 QG1 VAL 55 QG1 VAL 55 3.799 3.846 -2.671 551 QG2 VAL 55 QG2 VAL 55 2.537 6.363 -3.927 552 QQG VAL 55 QQG VAL 55 3.168 5.104 -3.299 553 H THR 56 H THR 56 3.556 4.525 -7.842 554 HA THR 56 HA THR 56 6.331 5.396 -7.393 555 HB THR 56 HB THR 56 4.704 4.164 -9.430 556 HG1 THR 56 1HG THR 56 6.524 3.199 -9.447 557 1HG2 THR 56 1HG2 THR 56 6.192 6.623 -10.377 558 2HG2 THR 56 3HG2 THR 56 5.724 5.292 -11.439 559 3HG2 THR 56 2HG2 THR 56 4.478 6.241 -10.616 560 QG2 THR 56 QG2 THR 56 5.464 6.052 -10.811 561 H GLU 57 H GLU 57 6.245 7.422 -6.374 562 HA GLU 57 HA GLU 57 4.428 9.549 -6.940 563 1HB GLU 57 2HB GLU 57 5.988 9.267 -4.976 564 2HB GLU 57 1HB GLU 57 7.321 9.734 -6.035 565 1HG GLU 57 2HG GLU 57 6.626 11.931 -6.173 566 2HG GLU 57 1HG GLU 57 4.925 11.516 -5.955 567 QB GLU 57 QB GLU 57 6.655 9.501 -5.506 568 QG GLU 57 QG GLU 57 5.776 11.723 -6.064 No H/Q in entry = 568 Start of MODEL 45 1 1H MET 1 3HT MET 1 -3.440 -15.492 6.968 2 2H MET 1 2HT MET 1 -3.197 -15.446 8.649 3 3H MET 1 1HT MET 1 -4.153 -14.263 7.895 4 HA MET 1 HA MET 1 -1.957 -13.372 8.443 5 1HB MET 1 2HB MET 1 -1.178 -15.905 8.023 6 2HB MET 1 1HB MET 1 -0.782 -15.246 6.435 7 1HG MET 1 2HG MET 1 0.562 -13.474 7.495 8 2HG MET 1 1HG MET 1 0.161 -14.118 9.087 9 1HE MET 1 2HE MET 1 2.338 -13.858 9.500 10 2HE MET 1 1HE MET 1 3.278 -15.333 9.709 11 3HE MET 1 3HE MET 1 3.645 -14.226 8.379 12 QB MET 1 QB MET 1 -0.980 -15.576 7.229 13 QG MET 1 QG MET 1 0.361 -13.796 8.291 14 QE MET 1 QE MET 1 3.087 -14.472 9.196 15 H THR 2 H THR 2 -2.860 -11.597 7.320 16 HA THR 2 HA THR 2 -2.679 -11.671 4.325 17 HB THR 2 HB THR 2 -4.355 -9.947 6.182 18 HG1 THR 2 1HG THR 2 -5.836 -11.432 5.994 19 1HG2 THR 2 3HG2 THR 2 -3.995 -10.113 3.215 20 2HG2 THR 2 2HG2 THR 2 -5.597 -9.740 3.851 21 3HG2 THR 2 1HG2 THR 2 -4.230 -8.694 4.235 22 QG2 THR 2 QG2 THR 2 -4.607 -9.515 3.767 23 H THR 3 H THR 3 -0.306 -11.177 5.677 24 HA THR 3 HA THR 3 0.172 -8.386 6.264 25 HB THR 3 HB THR 3 2.074 -10.593 5.409 26 HG1 THR 3 1HG THR 3 2.017 -11.252 7.444 27 1HG2 THR 3 1HG2 THR 3 2.407 -7.829 6.400 28 2HG2 THR 3 3HG2 THR 3 3.380 -9.038 7.238 29 3HG2 THR 3 2HG2 THR 3 3.527 -8.845 5.492 30 QG2 THR 3 QG2 THR 3 3.104 -8.571 6.377 31 H PHE 4 H PHE 4 -0.633 -7.171 4.453 32 HA PHE 4 HA PHE 4 0.333 -7.704 1.735 33 1HB PHE 4 2HB PHE 4 -1.481 -5.809 3.159 34 2HB PHE 4 1HB PHE 4 -0.827 -5.278 1.609 35 HD1 PHE 4 1HD PHE 4 -0.887 -7.115 -0.305 36 HD2 PHE 4 2HD PHE 4 -3.436 -7.089 3.149 37 HE1 PHE 4 1HE PHE 4 -2.512 -8.554 -1.498 38 HE2 PHE 4 2HE PHE 4 -5.066 -8.527 1.951 39 1HZ PHE 4 HZ PHE 4 -4.604 -9.260 -0.370 40 QB PHE 4 QB PHE 4 -1.154 -5.543 2.384 41 QG PHE 4 QD PHE 4 -2.162 -7.102 1.422 42 QZ PHE 4 QE PHE 4 -3.789 -8.541 0.226 43 QZ PHE 4 QR PHE 4 -3.301 -8.109 0.586 44 H LYS 5 H LYS 5 2.013 -6.630 0.700 45 HA LYS 5 HA LYS 5 3.714 -4.853 2.399 46 1HB LYS 5 2HB LYS 5 4.263 -6.391 -0.166 47 2HB LYS 5 1HB LYS 5 5.469 -5.520 0.781 48 1HG LYS 5 2HG LYS 5 5.044 -6.987 2.707 49 2HG LYS 5 1HG LYS 5 3.802 -7.843 1.795 50 1HD LYS 5 2HD LYS 5 5.621 -8.325 0.056 51 2HD LYS 5 1HD LYS 5 6.777 -7.782 1.273 52 1HE LYS 5 2HE LYS 5 6.215 -9.551 2.761 53 2HE LYS 5 1HE LYS 5 4.717 -9.918 1.880 54 1HZ LYS 5 1HZ LYS 5 7.454 -10.133 0.741 55 2HZ LYS 5 3HZ LYS 5 6.534 -11.448 1.293 56 3HZ LYS 5 2HZ LYS 5 6.002 -10.542 -0.042 57 QB LYS 5 QB LYS 5 4.866 -5.956 0.308 58 QG LYS 5 QG LYS 5 4.423 -7.415 2.251 59 QD LYS 5 QD LYS 5 6.199 -8.053 0.664 60 QE LYS 5 QE LYS 5 5.466 -9.734 2.320 61 QZ LYS 5 QZ LYS 5 6.664 -10.708 0.664 62 H LEU 6 H LEU 6 5.112 -3.405 0.601 63 HA LEU 6 HA LEU 6 3.431 -2.250 -1.505 64 1HB LEU 6 2HB LEU 6 2.410 -1.316 0.525 65 2HB LEU 6 1HB LEU 6 3.987 -0.772 1.094 66 HG LEU 6 HG LEU 6 3.947 0.423 -1.343 67 1HD1 LEU 6 2HD1 LEU 6 1.155 -0.265 -0.662 68 2HD1 LEU 6 1HD1 LEU 6 1.423 1.420 -1.106 69 3HD1 LEU 6 3HD1 LEU 6 1.873 0.134 -2.223 70 1HD2 LEU 6 3HD2 LEU 6 4.104 1.289 1.159 71 2HD2 LEU 6 2HD2 LEU 6 3.731 2.406 -0.153 72 3HD2 LEU 6 1HD2 LEU 6 2.436 1.776 0.862 73 QB LEU 6 QB LEU 6 3.199 -1.044 0.809 74 QD1 LEU 6 QD1 LEU 6 1.484 0.430 -1.330 75 QD2 LEU 6 QD2 LEU 6 3.424 1.824 0.623 76 QQD LEU 6 QQD LEU 6 2.454 1.127 -0.354 77 H ILE 7 H ILE 7 5.242 -2.442 -2.890 78 HA ILE 7 HA ILE 7 7.876 -1.425 -2.088 79 HB ILE 7 HB ILE 7 6.716 -2.346 -4.748 80 1HG1 ILE 7 2HG1 ILE 7 8.488 -3.814 -2.767 81 2HG1 ILE 7 1HG1 ILE 7 6.747 -4.054 -2.904 82 1HG2 ILE 7 3HG2 ILE 7 9.453 -1.495 -3.852 83 2HG2 ILE 7 2HG2 ILE 7 9.310 -2.767 -5.067 84 3HG2 ILE 7 1HG2 ILE 7 8.626 -1.170 -5.377 85 1HD1 ILE 7 2HD1 ILE 7 8.344 -4.249 -5.414 86 2HD1 ILE 7 1HD1 ILE 7 8.497 -5.572 -4.257 87 3HD1 ILE 7 3HD1 ILE 7 6.916 -5.156 -4.918 88 QG1 ILE 7 QG1 ILE 7 7.617 -3.934 -2.836 89 QG2 ILE 7 QG2 ILE 7 9.130 -1.811 -4.765 90 QD1 ILE 7 QD1 ILE 7 7.919 -4.992 -4.863 91 H ILE 8 H ILE 8 8.571 0.670 -2.490 92 HA ILE 8 HA ILE 8 6.575 2.445 -3.769 93 HB ILE 8 HB ILE 8 9.088 3.382 -2.414 94 1HG1 ILE 8 2HG1 ILE 8 8.083 1.738 -0.881 95 2HG1 ILE 8 1HG1 ILE 8 7.865 3.367 -0.258 96 1HG2 ILE 8 1HG2 ILE 8 6.958 4.657 -3.641 97 2HG2 ILE 8 3HG2 ILE 8 6.512 4.718 -1.938 98 3HG2 ILE 8 2HG2 ILE 8 8.050 5.395 -2.476 99 1HD1 ILE 8 3HD1 ILE 8 5.756 1.970 -1.903 100 2HD1 ILE 8 2HD1 ILE 8 5.827 1.829 -0.147 101 3HD1 ILE 8 1HD1 ILE 8 5.573 3.406 -0.895 102 QG1 ILE 8 QG1 ILE 8 7.974 2.552 -0.570 103 QG2 ILE 8 QG2 ILE 8 7.174 4.923 -2.685 104 QD1 ILE 8 QD1 ILE 8 5.719 2.402 -0.982 105 H ASN 9 H ASN 9 6.871 2.891 -5.895 106 HA ASN 9 HA ASN 9 9.554 2.562 -7.122 107 1HB ASN 9 2HB ASN 9 7.574 1.509 -8.114 108 2HB ASN 9 1HB ASN 9 6.777 3.077 -8.221 109 1HD2 ASN 9 2HD2 ASN 9 8.522 4.069 -11.149 110 2HD2 ASN 9 1HD2 ASN 9 7.477 4.556 -9.902 111 QB ASN 9 QB ASN 9 7.175 2.293 -8.168 112 QD2 ASN 9 QD2 ASN 9 7.999 4.313 -10.526 113 H GLY 10 H GLY 10 8.114 5.074 -5.537 114 1HA GLY 10 2HA GLY 10 8.577 7.194 -7.504 115 2HA GLY 10 1HA GLY 10 8.104 7.425 -5.819 116 QA GLY 10 QA GLY 10 8.340 7.309 -6.661 117 H LYS 11 H LYS 11 9.831 9.145 -5.979 118 HA LYS 11 HA LYS 11 12.603 8.047 -5.792 119 1HB LYS 11 2HB LYS 11 13.227 10.437 -6.118 120 2HB LYS 11 1HB LYS 11 12.171 9.857 -7.404 121 1HG LYS 11 2HG LYS 11 10.292 11.007 -6.543 122 2HG LYS 11 1HG LYS 11 11.046 11.233 -4.963 123 1HD LYS 11 2HD LYS 11 12.267 13.042 -5.652 124 2HD LYS 11 1HD LYS 11 12.498 12.396 -7.278 125 1HE LYS 11 2HE LYS 11 10.569 13.362 -8.077 126 2HE LYS 11 1HE LYS 11 9.707 13.148 -6.540 127 1HZ LYS 11 3HZ LYS 11 11.260 14.827 -5.585 128 2HZ LYS 11 2HZ LYS 11 11.822 15.139 -7.157 129 3HZ LYS 11 1HZ LYS 11 10.202 15.453 -6.753 130 QB LYS 11 QB LYS 11 12.699 10.147 -6.761 131 QG LYS 11 QG LYS 11 10.669 11.120 -5.753 132 QD LYS 11 QD LYS 11 12.382 12.719 -6.465 133 QE LYS 11 QE LYS 11 10.138 13.255 -7.308 134 QZ LYS 11 QZ LYS 11 11.095 15.140 -6.498 135 H THR 12 H THR 12 10.478 7.908 -3.638 136 HA THR 12 HA THR 12 12.148 8.976 -1.440 137 HB THR 12 HB THR 12 9.221 9.699 -1.585 138 HG1 THR 12 1HG THR 12 9.831 10.786 -3.303 139 1HG2 THR 12 1HG2 THR 12 11.608 10.453 0.030 140 2HG2 THR 12 3HG2 THR 12 10.427 11.720 -0.303 141 3HG2 THR 12 2HG2 THR 12 9.929 10.248 0.531 142 QG2 THR 12 QG2 THR 12 10.655 10.807 0.086 143 H LEU 13 H LEU 13 10.996 8.397 0.717 144 HA LEU 13 HA LEU 13 10.506 6.574 2.129 145 1HB LEU 13 2HB LEU 13 8.147 6.188 2.057 146 2HB LEU 13 1HB LEU 13 8.394 7.820 1.454 147 HG LEU 13 HG LEU 13 8.386 5.688 -0.600 148 1HD1 LEU 13 2HD1 LEU 13 6.076 6.234 1.212 149 2HD1 LEU 13 1HD1 LEU 13 5.754 5.960 -0.500 150 3HD1 LEU 13 3HD1 LEU 13 6.569 4.721 0.452 151 1HD2 LEU 13 3HD2 LEU 13 7.899 8.535 -0.361 152 2HD2 LEU 13 2HD2 LEU 13 8.166 7.582 -1.818 153 3HD2 LEU 13 1HD2 LEU 13 6.543 7.747 -1.166 154 QB LEU 13 QB LEU 13 8.270 7.004 1.755 155 QD1 LEU 13 QD1 LEU 13 6.133 5.638 0.388 156 QD2 LEU 13 QD2 LEU 13 7.536 7.955 -1.115 157 QQD LEU 13 QQD LEU 13 6.834 6.796 -0.364 158 H LYS 14 H LYS 14 12.028 5.699 -0.344 159 HA LYS 14 HA LYS 14 11.091 3.386 -1.570 160 1HB LYS 14 2HB LYS 14 13.561 2.757 -1.627 161 2HB LYS 14 1HB LYS 14 13.172 4.370 -2.214 162 1HG LYS 14 2HG LYS 14 14.220 5.410 -0.461 163 2HG LYS 14 1HG LYS 14 13.785 4.149 0.690 164 1HD LYS 14 2HD LYS 14 15.665 3.359 -1.470 165 2HD LYS 14 1HD LYS 14 16.298 4.469 -0.254 166 1HE LYS 14 2HE LYS 14 14.864 2.508 1.199 167 2HE LYS 14 1HE LYS 14 15.810 1.622 -0.014 168 1HZ LYS 14 2HZ LYS 14 17.757 2.908 0.610 169 2HZ LYS 14 1HZ LYS 14 16.859 3.750 1.781 170 3HZ LYS 14 3HZ LYS 14 17.140 2.086 1.961 171 QB LYS 14 QB LYS 14 13.367 3.564 -1.921 172 QG LYS 14 QG LYS 14 14.002 4.780 0.115 173 QD LYS 14 QD LYS 14 15.981 3.914 -0.862 174 QE LYS 14 QE LYS 14 15.337 2.065 0.592 175 QZ LYS 14 QZ LYS 14 17.252 2.915 1.450 176 H GLY 15 H GLY 15 10.264 1.528 -0.707 177 1HA GLY 15 2HA GLY 15 11.635 -0.210 1.022 178 2HA GLY 15 1HA GLY 15 10.638 0.802 2.065 179 QA GLY 15 QA GLY 15 11.137 0.296 1.543 180 H GLU 16 H GLU 16 9.809 -1.550 2.406 181 HA GLU 16 HA GLU 16 7.599 -2.138 0.457 182 1HB GLU 16 2HB GLU 16 9.607 -3.748 1.935 183 2HB GLU 16 1HB GLU 16 7.986 -4.439 1.849 184 1HG GLU 16 2HG GLU 16 8.034 -4.039 -0.641 185 2HG GLU 16 1HG GLU 16 9.730 -3.584 -0.474 186 QB GLU 16 QB GLU 16 8.796 -4.094 1.892 187 QG GLU 16 QG GLU 16 8.882 -3.811 -0.558 188 H ILE 17 H ILE 17 8.514 -1.836 3.862 189 HA ILE 17 HA ILE 17 7.243 -1.967 5.853 190 HB ILE 17 HB ILE 17 5.428 -0.209 5.763 191 1HG1 ILE 17 2HG1 ILE 17 6.350 0.156 2.898 192 2HG1 ILE 17 1HG1 ILE 17 4.838 -0.639 3.329 193 1HG2 ILE 17 3HG2 ILE 17 8.177 0.356 4.640 194 2HG2 ILE 17 2HG2 ILE 17 7.064 1.623 5.156 195 3HG2 ILE 17 1HG2 ILE 17 7.664 0.445 6.325 196 1HD1 ILE 17 2HD1 ILE 17 4.580 1.595 4.811 197 2HD1 ILE 17 1HD1 ILE 17 5.581 2.233 3.506 198 3HD1 ILE 17 3HD1 ILE 17 4.022 1.496 3.141 199 QG1 ILE 17 QG1 ILE 17 5.594 -0.241 3.113 200 QG2 ILE 17 QG2 ILE 17 7.635 0.808 5.374 201 QD1 ILE 17 QD1 ILE 17 4.728 1.775 3.819 202 H THR 18 H THR 18 6.589 -4.209 5.727 203 HA THR 18 HA THR 18 4.150 -5.074 4.434 204 HB THR 18 HB THR 18 4.573 -7.122 5.736 205 HG1 THR 18 1HG THR 18 6.317 -7.044 7.255 206 1HG2 THR 18 3HG2 THR 18 6.299 -5.995 3.890 207 2HG2 THR 18 2HG2 THR 18 7.373 -6.423 5.222 208 3HG2 THR 18 1HG2 THR 18 6.367 -7.660 4.467 209 QG2 THR 18 QG2 THR 18 6.680 -6.692 4.526 210 H ILE 19 H ILE 19 2.059 -5.224 5.277 211 HA ILE 19 HA ILE 19 1.598 -4.620 8.149 212 HB ILE 19 HB ILE 19 -0.006 -2.825 7.541 213 1HG1 ILE 19 2HG1 ILE 19 0.530 -2.007 5.029 214 2HG1 ILE 19 1HG1 ILE 19 0.733 -3.745 4.803 215 1HG2 ILE 19 1HG2 ILE 19 2.479 -2.416 7.976 216 2HG2 ILE 19 3HG2 ILE 19 2.664 -2.289 6.227 217 3HG2 ILE 19 2HG2 ILE 19 1.631 -1.148 7.089 218 1HD1 ILE 19 2HD1 ILE 19 -1.559 -3.737 6.243 219 2HD1 ILE 19 1HD1 ILE 19 -1.723 -2.188 5.417 220 3HD1 ILE 19 3HD1 ILE 19 -1.534 -3.670 4.481 221 QG1 ILE 19 QG1 ILE 19 0.631 -2.876 4.916 222 QG2 ILE 19 QG2 ILE 19 2.258 -1.951 7.097 223 QD1 ILE 19 QD1 ILE 19 -1.605 -3.198 5.380 224 H GLU 20 H GLU 20 -0.092 -5.820 8.929 225 HA GLU 20 HA GLU 20 -1.451 -7.729 7.195 226 1HB GLU 20 2HB GLU 20 -2.501 -8.394 9.349 227 2HB GLU 20 1HB GLU 20 -0.753 -8.221 9.506 228 1HG GLU 20 2HG GLU 20 -1.730 -5.659 10.052 229 2HG GLU 20 1HG GLU 20 -2.891 -6.730 10.833 230 QB GLU 20 QB GLU 20 -1.627 -8.307 9.427 231 QG GLU 20 QG GLU 20 -2.310 -6.194 10.442 232 H ALA 21 H ALA 21 -3.783 -7.842 6.896 233 HA ALA 21 HA ALA 21 -5.540 -5.661 7.689 234 1HB ALA 21 1HB ALA 21 -4.160 -5.712 5.023 235 2HB ALA 21 3HB ALA 21 -5.804 -5.080 5.115 236 3HB ALA 21 2HB ALA 21 -4.519 -4.334 6.065 237 QB ALA 21 QB ALA 21 -4.828 -5.042 5.401 238 H VAL 22 H VAL 22 -7.739 -6.021 6.886 239 HA VAL 22 HA VAL 22 -8.627 -8.683 6.824 240 HB VAL 22 HB VAL 22 -10.013 -6.711 7.307 241 1HG1 VAL 22 1HG1 VAL 22 -8.861 -5.396 5.369 242 2HG1 VAL 22 3HG1 VAL 22 -10.120 -6.105 4.360 243 3HG1 VAL 22 2HG1 VAL 22 -10.558 -5.071 5.717 244 1HG2 VAL 22 2HG2 VAL 22 -10.871 -8.948 6.096 245 2HG2 VAL 22 1HG2 VAL 22 -11.964 -7.619 6.481 246 3HG2 VAL 22 3HG2 VAL 22 -11.320 -7.784 4.849 247 QG1 VAL 22 QG1 VAL 22 -9.847 -5.524 5.149 248 QG2 VAL 22 QG2 VAL 22 -11.385 -8.117 5.809 249 QQG VAL 22 QQG VAL 22 -10.616 -6.821 5.479 250 H ASP 23 H ASP 23 -7.839 -6.535 4.096 251 HA ASP 23 HA ASP 23 -7.338 -8.839 2.346 252 1HB ASP 23 2HB ASP 23 -9.072 -8.099 0.693 253 2HB ASP 23 1HB ASP 23 -9.773 -8.649 2.212 254 QB ASP 23 QB ASP 23 -9.423 -8.374 1.453 255 H ALA 24 H ALA 24 -6.861 -7.854 0.000 256 HA ALA 24 HA ALA 24 -4.719 -5.976 0.274 257 1HB ALA 24 1HB ALA 24 -5.448 -7.743 -1.586 258 2HB ALA 24 3HB ALA 24 -6.187 -6.315 -2.314 259 3HB ALA 24 2HB ALA 24 -4.452 -6.345 -1.996 260 QB ALA 24 QB ALA 24 -5.362 -6.801 -1.965 261 H ALA 25 H ALA 25 -8.143 -5.579 -0.553 262 HA ALA 25 HA ALA 25 -8.167 -2.931 -1.508 263 1HB ALA 25 3HB ALA 25 -9.995 -4.863 -0.963 264 2HB ALA 25 2HB ALA 25 -10.309 -3.759 0.377 265 3HB ALA 25 1HB ALA 25 -10.441 -3.187 -1.286 266 QB ALA 25 QB ALA 25 -10.248 -3.936 -0.624 267 H GLU 26 H GLU 26 -8.319 -4.127 1.844 268 HA GLU 26 HA GLU 26 -8.430 -1.511 3.083 269 1HB GLU 26 2HB GLU 26 -8.785 -4.125 3.840 270 2HB GLU 26 1HB GLU 26 -7.210 -3.776 4.552 271 1HG GLU 26 2HG GLU 26 -8.511 -1.524 5.263 272 2HG GLU 26 1HG GLU 26 -9.879 -2.637 5.206 273 QB GLU 26 QB GLU 26 -7.998 -3.950 4.196 274 QG GLU 26 QG GLU 26 -9.195 -2.080 5.235 275 H ALA 27 H ALA 27 -5.796 -3.842 2.432 276 HA ALA 27 HA ALA 27 -3.628 -2.425 3.600 277 1HB ALA 27 2HB ALA 27 -4.061 -4.448 1.466 278 2HB ALA 27 1HB ALA 27 -2.522 -3.583 1.391 279 3HB ALA 27 3HB ALA 27 -2.958 -4.489 2.843 280 QB ALA 27 QB ALA 27 -3.180 -4.173 1.900 281 H GLU 28 H GLU 28 -5.130 -2.115 0.394 282 HA GLU 28 HA GLU 28 -3.307 -0.230 -0.734 283 1HB GLU 28 2HB GLU 28 -5.353 -1.638 -1.671 284 2HB GLU 28 1HB GLU 28 -6.248 -0.159 -1.321 285 1HG GLU 28 2HG GLU 28 -4.609 1.132 -2.670 286 2HG GLU 28 1HG GLU 28 -3.771 -0.368 -3.073 287 QB GLU 28 QB GLU 28 -5.801 -0.898 -1.496 288 QG GLU 28 QG GLU 28 -4.190 0.382 -2.871 289 H LYS 29 H LYS 29 -6.254 0.254 1.275 290 HA LYS 29 HA LYS 29 -6.059 3.157 1.091 291 1HB LYS 29 2HB LYS 29 -8.039 3.135 2.334 292 2HB LYS 29 1HB LYS 29 -8.100 1.582 1.522 293 1HG LYS 29 2HG LYS 29 -8.402 0.639 3.543 294 2HG LYS 29 1HG LYS 29 -6.748 1.063 3.931 295 1HD LYS 29 2HD LYS 29 -9.153 2.840 4.381 296 2HD LYS 29 1HD LYS 29 -8.311 1.927 5.632 297 1HE LYS 29 2HE LYS 29 -6.297 3.228 5.345 298 2HE LYS 29 1HE LYS 29 -6.949 4.007 3.887 299 1HZ LYS 29 2HZ LYS 29 -8.801 4.840 5.257 300 2HZ LYS 29 1HZ LYS 29 -8.052 4.202 6.642 301 3HZ LYS 29 3HZ LYS 29 -7.299 5.447 5.771 302 QB LYS 29 QB LYS 29 -8.069 2.359 1.928 303 QG LYS 29 QG LYS 29 -7.575 0.851 3.737 304 QD LYS 29 QD LYS 29 -8.732 2.384 5.007 305 QE LYS 29 QE LYS 29 -6.623 3.618 4.616 306 QZ LYS 29 QZ LYS 29 -8.051 4.830 5.890 307 H ILE 30 H ILE 30 -4.889 0.688 3.346 308 HA ILE 30 HA ILE 30 -3.970 2.516 5.402 309 HB ILE 30 HB ILE 30 -3.020 -0.254 4.563 310 1HG1 ILE 30 2HG1 ILE 30 -4.879 0.363 6.853 311 2HG1 ILE 30 1HG1 ILE 30 -5.516 0.166 5.220 312 1HG2 ILE 30 1HG2 ILE 30 -1.721 1.410 6.257 313 2HG2 ILE 30 3HG2 ILE 30 -2.867 0.681 7.382 314 3HG2 ILE 30 2HG2 ILE 30 -1.753 -0.340 6.473 315 1HD1 ILE 30 3HD1 ILE 30 -3.594 -1.923 6.053 316 2HD1 ILE 30 2HD1 ILE 30 -5.106 -1.902 6.963 317 3HD1 ILE 30 1HD1 ILE 30 -5.136 -2.079 5.209 318 QG1 ILE 30 QG1 ILE 30 -5.197 0.265 6.037 319 QG2 ILE 30 QG2 ILE 30 -2.114 0.583 6.704 320 QD1 ILE 30 QD1 ILE 30 -4.612 -1.968 6.075 321 H PHE 31 H PHE 31 -2.613 1.071 2.489 322 HA PHE 31 HA PHE 31 0.035 2.257 2.778 323 1HB PHE 31 2HB PHE 31 -1.554 0.787 0.673 324 2HB PHE 31 1HB PHE 31 -0.010 1.525 0.250 325 HD1 PHE 31 1HD PHE 31 1.674 1.129 2.566 326 HD2 PHE 31 2HD PHE 31 -1.267 -1.516 0.885 327 HE1 PHE 31 1HE PHE 31 2.868 -0.816 3.536 328 HE2 PHE 31 2HE PHE 31 -0.069 -3.458 1.855 329 1HZ PHE 31 HZ PHE 31 1.997 -3.108 3.179 330 QB PHE 31 QB PHE 31 -0.782 1.156 0.462 331 QG PHE 31 QD PHE 31 0.204 -0.193 1.726 332 QZ PHE 31 QE PHE 31 1.400 -2.137 2.695 333 QZ PHE 31 QR PHE 31 1.041 -1.553 2.404 334 H LYS 32 H LYS 32 -2.983 3.043 1.078 335 HA LYS 32 HA LYS 32 -1.904 5.368 -0.271 336 1HB LYS 32 2HB LYS 32 -4.631 4.169 0.145 337 2HB LYS 32 1HB LYS 32 -4.429 5.714 -0.672 338 1HG LYS 32 2HG LYS 32 -3.014 4.722 -2.361 339 2HG LYS 32 1HG LYS 32 -2.986 3.185 -1.499 340 1HD LYS 32 2HD LYS 32 -4.593 3.015 -3.311 341 2HD LYS 32 1HD LYS 32 -5.478 3.051 -1.785 342 1HE LYS 32 2HE LYS 32 -5.949 5.445 -2.078 343 2HE LYS 32 1HE LYS 32 -5.005 5.459 -3.581 344 1HZ LYS 32 1HZ LYS 32 -6.461 3.697 -4.434 345 2HZ LYS 32 3HZ LYS 32 -7.405 3.795 -3.029 346 3HZ LYS 32 2HZ LYS 32 -7.328 5.118 -4.091 347 QB LYS 32 QB LYS 32 -4.530 4.941 -0.263 348 QG LYS 32 QG LYS 32 -3.000 3.953 -1.930 349 QD LYS 32 QD LYS 32 -5.036 3.033 -2.548 350 QE LYS 32 QE LYS 32 -5.477 5.452 -2.830 351 QZ LYS 32 QZ LYS 32 -7.065 4.203 -3.852 352 H GLN 33 H GLN 33 -2.496 4.879 2.959 353 HA GLN 33 HA GLN 33 -3.544 7.661 3.427 354 1HB GLN 33 2HB GLN 33 -4.670 5.645 4.484 355 2HB GLN 33 1HB GLN 33 -3.153 5.300 5.316 356 1HG GLN 33 2HG GLN 33 -3.246 7.501 6.416 357 2HG GLN 33 1HG GLN 33 -4.753 7.863 5.579 358 1HE2 GLN 33 2HE2 GLN 33 -5.943 6.616 8.794 359 2HE2 GLN 33 1HE2 GLN 33 -5.313 8.033 8.104 360 QB GLN 33 QB GLN 33 -3.911 5.473 4.900 361 QG GLN 33 QG GLN 33 -3.999 7.682 5.997 362 QE2 GLN 33 QE2 GLN 33 -5.628 7.325 8.449 363 H TYR 34 H TYR 34 -1.157 5.257 4.245 364 HA TYR 34 HA TYR 34 0.751 6.626 5.787 365 1HB TYR 34 2HB TYR 34 0.921 4.303 5.469 366 2HB TYR 34 1HB TYR 34 0.572 4.423 3.740 367 HD1 TYR 34 2HD TYR 34 3.187 5.367 6.288 368 HD2 TYR 34 1HD TYR 34 2.373 4.242 2.224 369 HE1 TYR 34 2HE TYR 34 5.621 5.282 5.824 370 HE2 TYR 34 1HE TYR 34 4.807 4.157 1.760 371 HH TYR 34 HH TYR 34 7.159 4.257 4.255 372 QB TYR 34 QB TYR 34 0.747 4.363 4.604 373 QG TYR 34 QD TYR 34 2.780 4.805 4.256 374 QZ TYR 34 QE TYR 34 5.214 4.720 3.792 375 QR TYR 34 QR TYR 34 3.997 4.762 4.024 376 H ALA 35 H ALA 35 0.278 6.541 2.261 377 HA ALA 35 HA ALA 35 2.602 8.143 1.542 378 1HB ALA 35 1HB ALA 35 0.225 6.890 0.285 379 2HB ALA 35 3HB ALA 35 0.801 8.356 -0.521 380 3HB ALA 35 2HB ALA 35 1.889 6.976 -0.303 381 QB ALA 35 QB ALA 35 0.972 7.407 -0.180 382 H ASN 36 H ASN 36 -0.914 8.782 1.737 383 HA ASN 36 HA ASN 36 -0.801 11.578 1.090 384 1HB ASN 36 2HB ASN 36 -2.744 9.681 2.358 385 2HB ASN 36 1HB ASN 36 -3.108 11.406 2.329 386 1HD2 ASN 36 2HD2 ASN 36 -2.827 9.444 -1.286 387 2HD2 ASN 36 1HD2 ASN 36 -1.928 8.867 0.033 388 QB ASN 36 QB ASN 36 -2.926 10.543 2.343 389 QD2 ASN 36 QD2 ASN 36 -2.377 9.155 -0.627 390 H ASP 37 H ASP 37 -1.048 9.906 4.245 391 HA ASP 37 HA ASP 37 -1.276 12.070 5.989 392 1HB ASP 37 2HB ASP 37 -0.158 9.338 6.042 393 2HB ASP 37 1HB ASP 37 0.432 10.398 7.323 394 QB ASP 37 QB ASP 37 0.137 9.868 6.683 395 H ASN 38 H ASN 38 1.528 11.093 4.185 396 HA ASN 38 HA ASN 38 3.230 13.060 5.579 397 1HB ASN 38 2HB ASN 38 3.856 10.614 5.097 398 2HB ASN 38 1HB ASN 38 4.006 11.109 3.411 399 1HD2 ASN 38 2HD2 ASN 38 7.359 11.957 4.148 400 2HD2 ASN 38 1HD2 ASN 38 6.311 10.974 3.244 401 QB ASN 38 QB ASN 38 3.931 10.861 4.254 402 QD2 ASN 38 QD2 ASN 38 6.835 11.465 3.696 403 H GLY 39 H GLY 39 2.250 12.122 2.290 404 1HA GLY 39 2HA GLY 39 1.454 14.143 0.897 405 2HA GLY 39 1HA GLY 39 3.027 14.836 1.312 406 QA GLY 39 QA GLY 39 2.241 14.489 1.105 407 H ILE 40 H ILE 40 1.773 11.704 0.135 408 HA ILE 40 HA ILE 40 4.120 11.542 -1.730 409 HB ILE 40 HB ILE 40 2.353 9.541 -0.347 410 1HG1 ILE 40 2HG1 ILE 40 4.414 11.115 0.708 411 2HG1 ILE 40 1HG1 ILE 40 3.722 9.690 1.453 412 1HG2 ILE 40 2HG2 ILE 40 3.245 8.736 -2.524 413 2HG2 ILE 40 1HG2 ILE 40 4.877 8.994 -1.906 414 3HG2 ILE 40 3HG2 ILE 40 3.821 7.806 -1.137 415 1HD1 ILE 40 2HD1 ILE 40 5.984 9.549 -0.526 416 2HD1 ILE 40 1HD1 ILE 40 6.256 9.737 1.211 417 3HD1 ILE 40 3HD1 ILE 40 5.438 8.296 0.598 418 QG1 ILE 40 QG1 ILE 40 4.068 10.403 1.080 419 QG2 ILE 40 QG2 ILE 40 3.981 8.512 -1.856 420 QD1 ILE 40 QD1 ILE 40 5.893 9.194 0.428 421 H ASP 41 H ASP 41 3.601 11.128 -3.951 422 HA ASP 41 HA ASP 41 0.926 10.224 -4.729 423 1HB ASP 41 2HB ASP 41 0.295 12.370 -5.813 424 2HB ASP 41 1HB ASP 41 0.486 12.540 -4.069 425 QB ASP 41 QB ASP 41 0.390 12.455 -4.941 426 H GLY 42 H GLY 42 1.185 9.101 -6.535 427 1HA GLY 42 2HA GLY 42 2.558 10.089 -8.880 428 2HA GLY 42 1HA GLY 42 3.445 8.771 -8.110 429 QA GLY 42 QA GLY 42 3.001 9.430 -8.495 430 H GLU 43 H GLU 43 2.702 6.681 -8.384 431 HA GLU 43 HA GLU 43 0.020 6.320 -9.695 432 1HB GLU 43 2HB GLU 43 2.380 6.051 -10.971 433 2HB GLU 43 1HB GLU 43 2.263 4.437 -10.268 434 1HG GLU 43 2HG GLU 43 0.173 4.014 -11.349 435 2HG GLU 43 1HG GLU 43 -0.007 5.706 -11.813 436 QB GLU 43 QB GLU 43 2.321 5.244 -10.620 437 QG GLU 43 QG GLU 43 0.083 4.860 -11.581 438 H TRP 44 H TRP 44 -0.638 3.869 -9.455 439 HA TRP 44 HA TRP 44 0.389 2.570 -6.963 440 1HB TRP 44 2HB TRP 44 -2.302 3.856 -7.394 441 2HB TRP 44 1HB TRP 44 -2.176 2.432 -6.356 442 HD1 TRP 44 HD TRP 44 -0.999 6.063 -6.610 443 HE1 TRP 44 1HE TRP 44 -0.162 6.801 -4.287 444 HE3 TRP 44 3HE TRP 44 -1.248 1.601 -4.157 445 HZ2 TRP 44 2HZ TRP 44 0.344 5.645 -1.723 446 HZ3 TRP 44 3HZ TRP 44 -0.572 1.448 -1.768 447 HH2 TRP 44 HH TRP 44 0.226 3.468 -0.560 448 QB TRP 44 QB TRP 44 -2.239 3.144 -6.875 449 H THR 45 H THR 45 0.392 0.393 -7.267 450 HA THR 45 HA THR 45 -1.635 -0.829 -9.083 451 HB THR 45 HB THR 45 0.011 -1.891 -10.431 452 HG1 THR 45 1HG THR 45 1.618 -2.575 -9.255 453 1HG2 THR 45 2HG2 THR 45 -0.250 0.510 -10.944 454 2HG2 THR 45 1HG2 THR 45 1.071 0.879 -9.832 455 3HG2 THR 45 3HG2 THR 45 1.384 -0.049 -11.301 456 QG2 THR 45 QG2 THR 45 0.735 0.447 -10.692 457 H TYR 46 H TYR 46 -2.385 -2.690 -8.210 458 HA TYR 46 HA TYR 46 -1.039 -3.754 -5.783 459 1HB TYR 46 2HB TYR 46 -3.383 -3.291 -5.553 460 2HB TYR 46 1HB TYR 46 -3.764 -4.133 -7.060 461 HD1 TYR 46 2HD TYR 46 -1.811 -4.911 -3.947 462 HD2 TYR 46 1HD TYR 46 -4.791 -6.209 -6.752 463 HE1 TYR 46 2HE TYR 46 -2.036 -7.048 -2.716 464 HE2 TYR 46 1HE TYR 46 -5.007 -8.355 -5.524 465 HH TYR 46 HH TYR 46 -2.826 -9.499 -3.419 466 QB TYR 46 QB TYR 46 -3.573 -3.712 -6.307 467 QG TYR 46 QD TYR 46 -3.301 -5.560 -5.349 468 QZ TYR 46 QE TYR 46 -3.521 -7.702 -4.120 469 QR TYR 46 QR TYR 46 -3.411 -6.631 -4.735 470 H ASP 47 H ASP 47 0.026 -5.706 -5.817 471 HA ASP 47 HA ASP 47 0.067 -7.223 -8.391 472 1HB ASP 47 2HB ASP 47 2.089 -6.180 -6.971 473 2HB ASP 47 1HB ASP 47 1.959 -7.727 -6.133 474 QB ASP 47 QB ASP 47 2.024 -6.953 -6.552 475 H ASP 48 H ASP 48 -1.710 -8.614 -8.166 476 HA ASP 48 HA ASP 48 -2.419 -9.978 -5.722 477 1HB ASP 48 2HB ASP 48 -3.935 -9.462 -7.624 478 2HB ASP 48 1HB ASP 48 -3.053 -10.623 -8.617 479 QB ASP 48 QB ASP 48 -3.494 -10.043 -8.120 480 H ALA 49 H ALA 49 0.211 -10.503 -7.785 481 HA ALA 49 HA ALA 49 0.276 -13.440 -7.479 482 1HB ALA 49 2HB ALA 49 1.580 -11.316 -9.072 483 2HB ALA 49 1HB ALA 49 2.644 -12.648 -8.620 484 3HB ALA 49 3HB ALA 49 1.168 -12.968 -9.532 485 QB ALA 49 QB ALA 49 1.797 -12.311 -9.075 486 H THR 50 H THR 50 1.706 -10.523 -6.121 487 HA THR 50 HA THR 50 3.302 -12.238 -4.244 488 HB THR 50 HB THR 50 4.923 -10.348 -4.249 489 HG1 THR 50 1HG THR 50 3.301 -9.328 -6.334 490 1HG2 THR 50 1HG2 THR 50 4.783 -12.304 -6.025 491 2HG2 THR 50 3HG2 THR 50 4.437 -10.979 -7.134 492 3HG2 THR 50 2HG2 THR 50 5.948 -10.996 -6.225 493 QG2 THR 50 QG2 THR 50 5.056 -11.426 -6.462 494 H LYS 51 H LYS 51 0.561 -10.443 -4.392 495 HA LYS 51 HA LYS 51 -0.707 -9.234 -2.812 496 1HB LYS 51 2HB LYS 51 1.279 -10.605 -0.964 497 2HB LYS 51 1HB LYS 51 -0.271 -9.925 -0.475 498 1HG LYS 51 2HG LYS 51 -0.419 -11.824 -2.739 499 2HG LYS 51 1HG LYS 51 0.094 -12.537 -1.211 500 1HD LYS 51 2HD LYS 51 -1.930 -11.135 -0.241 501 2HD LYS 51 1HD LYS 51 -2.505 -11.222 -1.908 502 1HE LYS 51 2HE LYS 51 -2.464 -13.641 -1.874 503 2HE LYS 51 1HE LYS 51 -1.655 -13.651 -0.295 504 1HZ LYS 51 2HZ LYS 51 -4.280 -12.360 -0.804 505 2HZ LYS 51 1HZ LYS 51 -4.110 -13.922 -0.160 506 3HZ LYS 51 3HZ LYS 51 -3.522 -12.584 0.700 507 QB LYS 51 QB LYS 51 0.504 -10.265 -0.719 508 QG LYS 51 QG LYS 51 -0.162 -12.180 -1.975 509 QD LYS 51 QD LYS 51 -2.217 -11.178 -1.075 510 QE LYS 51 QE LYS 51 -2.059 -13.646 -1.084 511 QZ LYS 51 QZ LYS 51 -3.971 -12.955 -0.088 512 H THR 52 H THR 52 1.496 -7.829 -4.054 513 HA THR 52 HA THR 52 2.191 -5.917 -1.840 514 HB THR 52 HB THR 52 3.927 -6.648 -4.213 515 HG1 THR 52 1HG THR 52 4.484 -8.355 -3.157 516 1HG2 THR 52 3HG2 THR 52 4.163 -4.908 -1.813 517 2HG2 THR 52 2HG2 THR 52 5.600 -5.820 -2.276 518 3HG2 THR 52 1HG2 THR 52 4.856 -4.707 -3.423 519 QG2 THR 52 QG2 THR 52 4.873 -5.145 -2.504 520 H PHE 53 H PHE 53 1.924 -3.738 -2.365 521 HA PHE 53 HA PHE 53 0.595 -3.140 -4.944 522 1HB PHE 53 2HB PHE 53 1.038 -1.656 -2.343 523 2HB PHE 53 1HB PHE 53 0.234 -0.921 -3.731 524 HD1 PHE 53 2HD PHE 53 0.083 -3.837 -1.399 525 HD2 PHE 53 1HD PHE 53 -2.066 -1.351 -4.179 526 HE1 PHE 53 2HE PHE 53 -2.047 -4.938 -0.744 527 HE2 PHE 53 1HE PHE 53 -4.182 -2.461 -3.523 528 1HZ PHE 53 HZ PHE 53 -4.173 -4.251 -1.811 529 QB PHE 53 QB PHE 53 0.636 -1.288 -3.037 530 QG PHE 53 QD PHE 53 -0.992 -2.594 -2.789 531 QZ PHE 53 QE PHE 53 -3.114 -3.700 -2.133 532 QZ PHE 53 QR PHE 53 -2.477 -3.368 -2.331 533 H THR 54 H THR 54 1.356 -0.517 -5.492 534 HA THR 54 HA THR 54 4.295 -0.325 -5.408 535 HB THR 54 HB THR 54 3.007 -0.255 -8.116 536 HG1 THR 54 1HG THR 54 2.300 -2.220 -7.412 537 1HG2 THR 54 2HG2 THR 54 5.711 -0.832 -6.938 538 2HG2 THR 54 1HG2 THR 54 5.322 -1.365 -8.574 539 3HG2 THR 54 3HG2 THR 54 5.269 0.351 -8.169 540 QG2 THR 54 QG2 THR 54 5.434 -0.615 -7.893 541 H VAL 55 H VAL 55 3.883 1.626 -4.346 542 HA VAL 55 HA VAL 55 2.177 3.628 -5.693 543 HB VAL 55 HB VAL 55 1.795 3.428 -3.350 544 1HG1 VAL 55 1HG1 VAL 55 4.799 3.553 -3.093 545 2HG1 VAL 55 3HG1 VAL 55 3.728 3.856 -1.723 546 3HG1 VAL 55 2HG1 VAL 55 3.692 2.290 -2.538 547 1HG2 VAL 55 1HG2 VAL 55 1.908 5.776 -4.187 548 2HG2 VAL 55 3HG2 VAL 55 2.327 5.650 -2.474 549 3HG2 VAL 55 2HG2 VAL 55 3.598 5.845 -3.686 550 QG1 VAL 55 QG1 VAL 55 4.073 3.233 -2.451 551 QG2 VAL 55 QG2 VAL 55 2.611 5.757 -3.449 552 QQG VAL 55 QQG VAL 55 3.342 4.495 -2.950 553 H THR 56 H THR 56 3.183 4.586 -7.358 554 HA THR 56 HA THR 56 6.052 5.253 -7.289 555 HB THR 56 HB THR 56 3.748 5.233 -9.207 556 HG1 THR 56 1HG THR 56 4.927 3.582 -9.658 557 1HG2 THR 56 2HG2 THR 56 6.244 6.877 -9.712 558 2HG2 THR 56 1HG2 THR 56 5.016 6.488 -10.917 559 3HG2 THR 56 3HG2 THR 56 4.605 7.511 -9.539 560 QG2 THR 56 QG2 THR 56 5.288 6.959 -10.056 561 H GLU 57 H GLU 57 6.549 7.664 -7.910 562 HA GLU 57 HA GLU 57 4.580 9.546 -6.665 563 1HB GLU 57 2HB GLU 57 6.560 8.550 -5.194 564 2HB GLU 57 1HB GLU 57 7.511 9.770 -6.042 565 1HG GLU 57 2HG GLU 57 5.393 11.286 -5.372 566 2HG GLU 57 1HG GLU 57 5.326 10.119 -4.050 567 QB GLU 57 QB GLU 57 7.036 9.160 -5.618 568 QG GLU 57 QG GLU 57 5.359 10.703 -4.711 No H/Q in entry = 568 Start of MODEL 46 1 1H MET 1 2HT MET 1 -0.534 -14.425 7.305 2 2H MET 1 1HT MET 1 -1.648 -13.665 8.340 3 3H MET 1 3HT MET 1 -1.268 -15.303 8.560 4 HA MET 1 HA MET 1 -2.380 -15.941 6.573 5 1HB MET 1 2HB MET 1 -3.624 -14.171 8.610 6 2HB MET 1 1HB MET 1 -4.610 -14.521 7.191 7 1HG MET 1 2HG MET 1 -4.529 -16.863 7.577 8 2HG MET 1 1HG MET 1 -3.196 -16.707 8.720 9 1HE MET 1 2HE MET 1 -3.518 -17.477 10.543 10 2HE MET 1 1HE MET 1 -3.772 -16.069 11.571 11 3HE MET 1 3HE MET 1 -4.885 -17.442 11.652 12 QB MET 1 QB MET 1 -4.117 -14.346 7.900 13 QG MET 1 QG MET 1 -3.863 -16.785 8.149 14 QE MET 1 QE MET 1 -4.059 -16.996 11.255 15 H THR 2 H THR 2 -2.472 -12.385 6.988 16 HA THR 2 HA THR 2 -2.932 -12.114 4.038 17 HB THR 2 HB THR 2 -3.504 -10.281 6.390 18 HG1 THR 2 1HG THR 2 -4.918 -12.029 6.168 19 1HG2 THR 2 2HG2 THR 2 -3.222 -9.733 3.557 20 2HG2 THR 2 1HG2 THR 2 -4.875 -9.420 4.084 21 3HG2 THR 2 3HG2 THR 2 -3.528 -8.600 4.879 22 QG2 THR 2 QG2 THR 2 -3.875 -9.251 4.174 23 H THR 3 H THR 3 -1.640 -9.721 6.326 24 HA THR 3 HA THR 3 0.286 -8.389 6.204 25 HB THR 3 HB THR 3 1.503 -10.913 5.076 26 HG1 THR 3 1HG THR 3 0.923 -10.143 7.742 27 1HG2 THR 3 3HG2 THR 3 2.554 -8.344 5.761 28 2HG2 THR 3 2HG2 THR 3 3.096 -9.490 6.995 29 3HG2 THR 3 1HG2 THR 3 3.446 -9.799 5.295 30 QG2 THR 3 QG2 THR 3 3.032 -9.211 6.017 31 H PHE 4 H PHE 4 -0.234 -6.886 4.588 32 HA PHE 4 HA PHE 4 0.413 -7.637 1.763 33 1HB PHE 4 2HB PHE 4 -1.424 -5.740 3.154 34 2HB PHE 4 1HB PHE 4 -0.809 -5.249 1.576 35 HD1 PHE 4 1HD PHE 4 -0.951 -7.004 -0.329 36 HD2 PHE 4 2HD PHE 4 -3.239 -7.220 3.298 37 HE1 PHE 4 1HE PHE 4 -2.540 -8.549 -1.429 38 HE2 PHE 4 2HE PHE 4 -4.833 -8.766 2.193 39 1HZ PHE 4 HZ PHE 4 -4.486 -9.430 -0.169 40 QB PHE 4 QB PHE 4 -1.116 -5.495 2.365 41 QG PHE 4 QD PHE 4 -2.095 -7.112 1.484 42 QZ PHE 4 QE PHE 4 -3.687 -8.657 0.382 43 QZ PHE 4 QR PHE 4 -3.210 -8.194 0.713 44 H LYS 5 H LYS 5 2.345 -6.913 0.990 45 HA LYS 5 HA LYS 5 3.839 -4.875 2.518 46 1HB LYS 5 2HB LYS 5 4.495 -6.614 0.112 47 2HB LYS 5 1HB LYS 5 5.661 -5.586 0.948 48 1HG LYS 5 2HG LYS 5 6.051 -7.530 2.109 49 2HG LYS 5 1HG LYS 5 4.699 -6.929 3.069 50 1HD LYS 5 2HD LYS 5 3.230 -8.481 2.226 51 2HD LYS 5 1HD LYS 5 4.020 -8.526 0.650 52 1HE LYS 5 2HE LYS 5 5.594 -10.098 1.332 53 2HE LYS 5 1HE LYS 5 5.507 -9.595 3.032 54 1HZ LYS 5 3HZ LYS 5 3.275 -10.877 1.549 55 2HZ LYS 5 2HZ LYS 5 4.329 -11.709 2.589 56 3HZ LYS 5 1HZ LYS 5 3.309 -10.497 3.202 57 QB LYS 5 QB LYS 5 5.078 -6.100 0.530 58 QG LYS 5 QG LYS 5 5.375 -7.230 2.589 59 QD LYS 5 QD LYS 5 3.625 -8.503 1.438 60 QE LYS 5 QE LYS 5 5.550 -9.846 2.182 61 QZ LYS 5 QZ LYS 5 3.638 -11.028 2.447 62 H LEU 6 H LEU 6 5.105 -3.238 0.993 63 HA LEU 6 HA LEU 6 3.484 -2.402 -1.361 64 1HB LEU 6 2HB LEU 6 2.701 -1.464 0.976 65 2HB LEU 6 1HB LEU 6 4.080 -0.389 0.785 66 HG LEU 6 HG LEU 6 1.522 -0.499 -0.772 67 1HD1 LEU 6 3HD1 LEU 6 2.576 1.217 1.071 68 2HD1 LEU 6 2HD1 LEU 6 3.057 2.003 -0.431 69 3HD1 LEU 6 1HD1 LEU 6 1.356 1.668 -0.116 70 1HD2 LEU 6 2HD2 LEU 6 3.262 -0.823 -2.528 71 2HD2 LEU 6 1HD2 LEU 6 2.522 0.772 -2.641 72 3HD2 LEU 6 3HD2 LEU 6 4.122 0.591 -1.921 73 QB LEU 6 QB LEU 6 3.390 -0.926 0.880 74 QD1 LEU 6 QD1 LEU 6 2.330 1.629 0.175 75 QD2 LEU 6 QD2 LEU 6 3.302 0.180 -2.363 76 QQD LEU 6 QQD LEU 6 2.816 0.905 -1.094 77 H ILE 7 H ILE 7 5.087 -2.157 -2.884 78 HA ILE 7 HA ILE 7 7.798 -1.289 -2.159 79 HB ILE 7 HB ILE 7 6.378 -1.835 -4.794 80 1HG1 ILE 7 2HG1 ILE 7 6.588 -3.813 -3.329 81 2HG1 ILE 7 1HG1 ILE 7 7.634 -3.963 -4.739 82 1HG2 ILE 7 2HG2 ILE 7 8.340 -0.306 -5.024 83 2HG2 ILE 7 1HG2 ILE 7 9.349 -1.530 -4.252 84 3HG2 ILE 7 3HG2 ILE 7 8.597 -1.863 -5.814 85 1HD1 ILE 7 3HD1 ILE 7 9.529 -3.069 -3.328 86 2HD1 ILE 7 2HD1 ILE 7 8.458 -3.170 -1.930 87 3HD1 ILE 7 1HD1 ILE 7 8.914 -4.636 -2.800 88 QG1 ILE 7 QG1 ILE 7 7.111 -3.888 -4.034 89 QG2 ILE 7 QG2 ILE 7 8.762 -1.233 -5.030 90 QD1 ILE 7 QD1 ILE 7 8.967 -3.625 -2.686 91 H ILE 8 H ILE 8 8.210 0.880 -1.895 92 HA ILE 8 HA ILE 8 6.301 2.816 -3.058 93 HB ILE 8 HB ILE 8 8.666 3.447 -1.294 94 1HG1 ILE 8 2HG1 ILE 8 7.269 1.585 -0.272 95 2HG1 ILE 8 1HG1 ILE 8 7.344 3.056 0.687 96 1HG2 ILE 8 3HG2 ILE 8 6.194 4.793 -2.240 97 2HG2 ILE 8 2HG2 ILE 8 6.640 5.088 -0.560 98 3HG2 ILE 8 1HG2 ILE 8 7.778 5.472 -1.852 99 1HD1 ILE 8 1HD1 ILE 8 5.084 2.454 -1.232 100 2HD1 ILE 8 3HD1 ILE 8 5.039 2.012 0.475 101 3HD1 ILE 8 2HD1 ILE 8 5.142 3.710 0.009 102 QG1 ILE 8 QG1 ILE 8 7.307 2.321 0.207 103 QG2 ILE 8 QG2 ILE 8 6.871 5.118 -1.551 104 QD1 ILE 8 QD1 ILE 8 5.088 2.725 -0.249 105 H ASN 9 H ASN 9 6.809 3.807 -4.971 106 HA ASN 9 HA ASN 9 9.679 3.883 -5.826 107 1HB ASN 9 2HB ASN 9 8.013 2.634 -7.206 108 2HB ASN 9 1HB ASN 9 7.104 4.130 -7.416 109 1HD2 ASN 9 2HD2 ASN 9 9.199 5.318 -9.987 110 2HD2 ASN 9 1HD2 ASN 9 7.774 5.524 -9.088 111 QB ASN 9 QB ASN 9 7.559 3.382 -7.311 112 QD2 ASN 9 QD2 ASN 9 8.486 5.421 -9.537 113 H GLY 10 H GLY 10 9.088 5.846 -4.006 114 1HA GLY 10 2HA GLY 10 8.725 8.291 -5.700 115 2HA GLY 10 1HA GLY 10 8.114 8.193 -4.048 116 QA GLY 10 QA GLY 10 8.420 8.242 -4.874 117 H LYS 11 H LYS 11 9.427 9.994 -3.387 118 HA LYS 11 HA LYS 11 12.376 9.449 -3.331 119 1HB LYS 11 2HB LYS 11 12.563 11.919 -3.165 120 2HB LYS 11 1HB LYS 11 11.678 11.428 -4.607 121 1HG LYS 11 2HG LYS 11 9.885 12.619 -3.952 122 2HG LYS 11 1HG LYS 11 9.804 11.712 -2.445 123 1HD LYS 11 2HD LYS 11 10.119 13.907 -1.688 124 2HD LYS 11 1HD LYS 11 11.764 13.271 -1.691 125 1HE LYS 11 2HE LYS 11 12.120 14.254 -3.955 126 2HE LYS 11 1HE LYS 11 10.493 14.961 -3.874 127 1HZ LYS 11 3HZ LYS 11 11.110 16.060 -1.811 128 2HZ LYS 11 2HZ LYS 11 12.673 15.400 -1.901 129 3HZ LYS 11 1HZ LYS 11 12.156 16.526 -3.062 130 QB LYS 11 QB LYS 11 12.121 11.673 -3.886 131 QG LYS 11 QG LYS 11 9.845 12.165 -3.199 132 QD LYS 11 QD LYS 11 10.942 13.589 -1.690 133 QE LYS 11 QE LYS 11 11.307 14.607 -3.915 134 QZ LYS 11 QZ LYS 11 11.980 15.995 -2.258 135 H THR 12 H THR 12 9.535 10.081 -1.380 136 HA THR 12 HA THR 12 11.039 10.701 1.069 137 HB THR 12 HB THR 12 8.140 9.884 0.791 138 HG1 THR 12 1HG THR 12 7.814 12.170 0.436 139 1HG2 THR 12 3HG2 THR 12 9.673 11.714 2.654 140 2HG2 THR 12 2HG2 THR 12 7.915 11.579 2.635 141 3HG2 THR 12 1HG2 THR 12 8.902 10.183 3.066 142 QG2 THR 12 QG2 THR 12 8.830 11.159 2.785 143 H LEU 13 H LEU 13 9.567 7.910 -0.475 144 HA LEU 13 HA LEU 13 10.462 6.177 1.807 145 1HB LEU 13 2HB LEU 13 8.040 6.354 0.093 146 2HB LEU 13 1HB LEU 13 8.595 4.724 0.474 147 HG LEU 13 HG LEU 13 8.152 6.869 2.564 148 1HD1 LEU 13 2HD1 LEU 13 6.301 4.795 1.383 149 2HD1 LEU 13 1HD1 LEU 13 6.106 5.321 3.058 150 3HD1 LEU 13 3HD1 LEU 13 5.978 6.492 1.747 151 1HD2 LEU 13 1HD2 LEU 13 9.623 4.600 2.754 152 2HD2 LEU 13 3HD2 LEU 13 8.708 5.262 4.110 153 3HD2 LEU 13 2HD2 LEU 13 8.029 3.951 3.143 154 QB LEU 13 QB LEU 13 8.317 5.539 0.283 155 QD1 LEU 13 QD1 LEU 13 6.128 5.536 2.063 156 QD2 LEU 13 QD2 LEU 13 8.786 4.604 3.335 157 QQD LEU 13 QQD LEU 13 7.457 5.070 2.699 158 H LYS 14 H LYS 14 10.934 3.853 0.933 159 HA LYS 14 HA LYS 14 11.610 3.464 -1.823 160 1HB LYS 14 2HB LYS 14 14.091 3.558 -1.543 161 2HB LYS 14 1HB LYS 14 13.328 5.125 -1.279 162 1HG LYS 14 2HG LYS 14 13.255 4.098 1.250 163 2HG LYS 14 1HG LYS 14 14.736 3.363 0.640 164 1HD LYS 14 2HD LYS 14 14.131 6.323 0.419 165 2HD LYS 14 1HD LYS 14 15.069 5.616 1.736 166 1HE LYS 14 2HE LYS 14 16.897 5.208 0.394 167 2HE LYS 14 1HE LYS 14 15.899 4.886 -1.038 168 1HZ LYS 14 2HZ LYS 14 16.242 7.553 0.229 169 2HZ LYS 14 1HZ LYS 14 17.047 7.041 -1.178 170 3HZ LYS 14 3HZ LYS 14 15.360 7.215 -1.183 171 QB LYS 14 QB LYS 14 13.709 4.342 -1.411 172 QG LYS 14 QG LYS 14 13.995 3.731 0.945 173 QD LYS 14 QD LYS 14 14.600 5.970 1.077 174 QE LYS 14 QE LYS 14 16.398 5.047 -0.322 175 QZ LYS 14 QZ LYS 14 16.216 7.270 -0.711 176 H GLY 15 H GLY 15 10.329 1.555 -0.936 177 1HA GLY 15 2HA GLY 15 11.606 -0.823 -0.869 178 2HA GLY 15 1HA GLY 15 11.872 -0.286 0.789 179 QA GLY 15 QA GLY 15 11.739 -0.554 -0.040 180 H GLU 16 H GLU 16 10.537 -2.510 0.774 181 HA GLU 16 HA GLU 16 7.687 -2.398 0.344 182 1HB GLU 16 2HB GLU 16 7.739 -4.518 1.588 183 2HB GLU 16 1HB GLU 16 9.098 -4.447 0.472 184 1HG GLU 16 2HG GLU 16 10.237 -3.321 2.659 185 2HG GLU 16 1HG GLU 16 9.084 -4.405 3.436 186 QB GLU 16 QB GLU 16 8.419 -4.482 1.030 187 QG GLU 16 QG GLU 16 9.661 -3.863 3.048 188 H ILE 17 H ILE 17 6.826 -3.404 2.924 189 HA ILE 17 HA ILE 17 7.375 -1.557 5.067 190 HB ILE 17 HB ILE 17 6.308 0.002 3.484 191 1HG1 ILE 17 2HG1 ILE 17 4.403 0.741 4.939 192 2HG1 ILE 17 1HG1 ILE 17 4.563 -0.765 5.843 193 1HG2 ILE 17 2HG2 ILE 17 4.991 -1.708 2.254 194 2HG2 ILE 17 1HG2 ILE 17 3.917 -1.855 3.644 195 3HG2 ILE 17 3HG2 ILE 17 4.004 -0.336 2.752 196 1HD1 ILE 17 2HD1 ILE 17 6.960 1.006 5.438 197 2HD1 ILE 17 1HD1 ILE 17 5.800 1.369 6.715 198 3HD1 ILE 17 3HD1 ILE 17 6.655 -0.174 6.714 199 QG1 ILE 17 QG1 ILE 17 4.483 -0.012 5.391 200 QG2 ILE 17 QG2 ILE 17 4.304 -1.300 2.883 201 QD1 ILE 17 QD1 ILE 17 6.472 0.734 6.289 202 H THR 18 H THR 18 5.107 -3.784 3.530 203 HA THR 18 HA THR 18 3.789 -5.518 4.383 204 HB THR 18 HB THR 18 4.634 -6.684 6.229 205 HG1 THR 18 1HG THR 18 5.093 -5.755 8.037 206 1HG2 THR 18 1HG2 THR 18 6.458 -5.689 4.430 207 2HG2 THR 18 3HG2 THR 18 7.189 -5.252 5.977 208 3HG2 THR 18 2HG2 THR 18 6.802 -6.937 5.631 209 QG2 THR 18 QG2 THR 18 6.816 -5.959 5.346 210 H ILE 19 H ILE 19 1.760 -5.569 5.219 211 HA ILE 19 HA ILE 19 1.007 -3.393 7.160 212 HB ILE 19 HB ILE 19 0.371 -3.604 4.424 213 1HG1 ILE 19 2HG1 ILE 19 -0.702 -1.939 6.698 214 2HG1 ILE 19 1HG1 ILE 19 0.470 -1.481 5.462 215 1HG2 ILE 19 2HG2 ILE 19 -1.355 -5.341 5.104 216 2HG2 ILE 19 1HG2 ILE 19 -2.185 -4.054 5.976 217 3HG2 ILE 19 3HG2 ILE 19 -1.988 -3.951 4.227 218 1HD1 ILE 19 3HD1 ILE 19 -1.632 -2.034 3.856 219 2HD1 ILE 19 2HD1 ILE 19 -2.514 -1.572 5.313 220 3HD1 ILE 19 1HD1 ILE 19 -1.385 -0.435 4.568 221 QG1 ILE 19 QG1 ILE 19 -0.116 -1.710 6.080 222 QG2 ILE 19 QG2 ILE 19 -1.843 -4.449 5.102 223 QD1 ILE 19 QD1 ILE 19 -1.844 -1.347 4.579 224 H GLU 20 H GLU 20 -1.107 -3.829 8.214 225 HA GLU 20 HA GLU 20 -1.608 -6.757 8.646 226 1HB GLU 20 2HB GLU 20 -0.611 -5.242 10.520 227 2HB GLU 20 1HB GLU 20 -2.206 -4.493 10.572 228 1HG GLU 20 2HG GLU 20 -2.595 -6.151 12.109 229 2HG GLU 20 1HG GLU 20 -2.943 -7.087 10.655 230 QB GLU 20 QB GLU 20 -1.408 -4.868 10.546 231 QG GLU 20 QG GLU 20 -2.769 -6.619 11.382 232 H ALA 21 H ALA 21 -3.068 -6.441 6.707 233 HA ALA 21 HA ALA 21 -5.575 -4.964 7.407 234 1HB ALA 21 1HB ALA 21 -4.146 -3.999 5.590 235 2HB ALA 21 3HB ALA 21 -4.301 -5.520 4.704 236 3HB ALA 21 2HB ALA 21 -5.726 -4.519 4.996 237 QB ALA 21 QB ALA 21 -4.724 -4.679 5.097 238 H VAL 22 H VAL 22 -7.521 -5.990 6.869 239 HA VAL 22 HA VAL 22 -7.677 -8.788 7.114 240 HB VAL 22 HB VAL 22 -9.484 -7.179 7.603 241 1HG1 VAL 22 3HG1 VAL 22 -8.876 -5.801 5.467 242 2HG1 VAL 22 2HG1 VAL 22 -9.970 -6.909 4.637 243 3HG1 VAL 22 1HG1 VAL 22 -10.572 -5.897 5.949 244 1HG2 VAL 22 2HG2 VAL 22 -10.211 -9.164 5.423 245 2HG2 VAL 22 1HG2 VAL 22 -10.135 -9.503 7.152 246 3HG2 VAL 22 3HG2 VAL 22 -11.360 -8.401 6.523 247 QG1 VAL 22 QG1 VAL 22 -9.806 -6.202 5.351 248 QG2 VAL 22 QG2 VAL 22 -10.569 -9.023 6.366 249 QQG VAL 22 QQG VAL 22 -10.187 -7.612 5.858 250 H ASP 23 H ASP 23 -7.692 -6.753 4.213 251 HA ASP 23 HA ASP 23 -6.938 -9.086 2.551 252 1HB ASP 23 2HB ASP 23 -8.794 -8.561 0.970 253 2HB ASP 23 1HB ASP 23 -9.403 -9.032 2.553 254 QB ASP 23 QB ASP 23 -9.098 -8.797 1.761 255 H ALA 24 H ALA 24 -6.641 -8.096 0.156 256 HA ALA 24 HA ALA 24 -4.645 -6.047 0.377 257 1HB ALA 24 2HB ALA 24 -5.341 -7.922 -1.456 258 2HB ALA 24 1HB ALA 24 -6.016 -6.485 -2.225 259 3HB ALA 24 3HB ALA 24 -4.299 -6.550 -1.831 260 QB ALA 24 QB ALA 24 -5.219 -6.986 -1.837 261 H ALA 25 H ALA 25 -8.105 -5.978 -0.275 262 HA ALA 25 HA ALA 25 -8.415 -3.400 -1.380 263 1HB ALA 25 2HB ALA 25 -10.071 -5.370 -0.853 264 2HB ALA 25 1HB ALA 25 -10.299 -4.526 0.678 265 3HB ALA 25 3HB ALA 25 -10.679 -3.715 -0.841 266 QB ALA 25 QB ALA 25 -10.350 -4.537 -0.339 267 H GLU 26 H GLU 26 -8.396 -4.393 2.058 268 HA GLU 26 HA GLU 26 -8.645 -1.715 3.119 269 1HB GLU 26 2HB GLU 26 -8.160 -4.476 4.044 270 2HB GLU 26 1HB GLU 26 -7.400 -3.247 5.056 271 1HG GLU 26 2HG GLU 26 -10.242 -2.841 4.196 272 2HG GLU 26 1HG GLU 26 -9.906 -3.980 5.499 273 QB GLU 26 QB GLU 26 -7.780 -3.861 4.550 274 QG GLU 26 QG GLU 26 -10.074 -3.411 4.848 275 H ALA 27 H ALA 27 -5.835 -3.902 2.673 276 HA ALA 27 HA ALA 27 -3.776 -2.257 3.675 277 1HB ALA 27 1HB ALA 27 -3.777 -4.044 1.217 278 2HB ALA 27 3HB ALA 27 -2.332 -3.462 2.049 279 3HB ALA 27 2HB ALA 27 -3.450 -4.555 2.876 280 QB ALA 27 QB ALA 27 -3.187 -4.020 2.047 281 H GLU 28 H GLU 28 -5.092 -2.274 0.332 282 HA GLU 28 HA GLU 28 -3.450 -0.200 -0.726 283 1HB GLU 28 2HB GLU 28 -5.168 -1.851 -1.812 284 2HB GLU 28 1HB GLU 28 -6.347 -0.584 -1.473 285 1HG GLU 28 2HG GLU 28 -4.664 1.014 -2.632 286 2HG GLU 28 1HG GLU 28 -3.921 -0.453 -3.278 287 QB GLU 28 QB GLU 28 -5.757 -1.218 -1.642 288 QG GLU 28 QG GLU 28 -4.293 0.280 -2.955 289 H LYS 29 H LYS 29 -6.487 -0.064 1.141 290 HA LYS 29 HA LYS 29 -6.878 2.799 0.872 291 1HB LYS 29 2HB LYS 29 -7.784 0.701 2.866 292 2HB LYS 29 1HB LYS 29 -8.358 2.366 2.896 293 1HG LYS 29 2HG LYS 29 -8.514 1.093 0.240 294 2HG LYS 29 1HG LYS 29 -9.535 0.336 1.461 295 1HD LYS 29 2HD LYS 29 -10.999 1.985 0.844 296 2HD LYS 29 1HD LYS 29 -10.054 2.941 1.986 297 1HE LYS 29 2HE LYS 29 -9.999 4.312 0.082 298 2HE LYS 29 1HE LYS 29 -8.514 3.365 -0.142 299 1HZ LYS 29 3HZ LYS 29 -11.161 2.495 -1.161 300 2HZ LYS 29 2HZ LYS 29 -10.059 3.384 -2.101 301 3HZ LYS 29 1HZ LYS 29 -9.641 1.839 -1.532 302 QB LYS 29 QB LYS 29 -8.071 1.534 2.881 303 QG LYS 29 QG LYS 29 -9.024 0.714 0.850 304 QD LYS 29 QD LYS 29 -10.526 2.463 1.415 305 QE LYS 29 QE LYS 29 -9.257 3.838 -0.030 306 QZ LYS 29 QZ LYS 29 -10.287 2.572 -1.598 307 H ILE 30 H ILE 30 -5.623 0.781 3.553 308 HA ILE 30 HA ILE 30 -4.719 2.887 5.247 309 HB ILE 30 HB ILE 30 -3.631 0.081 4.795 310 1HG1 ILE 30 2HG1 ILE 30 -5.433 0.798 7.065 311 2HG1 ILE 30 1HG1 ILE 30 -6.167 0.646 5.468 312 1HG2 ILE 30 1HG2 ILE 30 -2.165 1.679 6.119 313 2HG2 ILE 30 3HG2 ILE 30 -3.473 1.782 7.297 314 3HG2 ILE 30 2HG2 ILE 30 -2.677 0.238 6.996 315 1HD1 ILE 30 1HD1 ILE 30 -4.265 -1.509 6.180 316 2HD1 ILE 30 3HD1 ILE 30 -5.740 -1.464 7.145 317 3HD1 ILE 30 2HD1 ILE 30 -5.840 -1.610 5.391 318 QG1 ILE 30 QG1 ILE 30 -5.800 0.722 6.267 319 QG2 ILE 30 QG2 ILE 30 -2.771 1.233 6.804 320 QD1 ILE 30 QD1 ILE 30 -5.282 -1.527 6.239 321 H PHE 31 H PHE 31 -3.208 1.245 2.497 322 HA PHE 31 HA PHE 31 -0.617 2.541 2.781 323 1HB PHE 31 2HB PHE 31 -2.073 0.872 0.737 324 2HB PHE 31 1HB PHE 31 -0.589 1.688 0.268 325 HD1 PHE 31 1HD PHE 31 1.015 1.504 2.776 326 HD2 PHE 31 2HD PHE 31 -1.509 -1.400 0.858 327 HE1 PHE 31 1HE PHE 31 2.336 -0.325 3.798 328 HE2 PHE 31 2HE PHE 31 -0.159 -3.228 1.869 329 1HZ PHE 31 HZ PHE 31 1.758 -2.681 3.337 330 QB PHE 31 QB PHE 31 -1.331 1.280 0.503 331 QG PHE 31 QD PHE 31 -0.247 0.052 1.817 332 QZ PHE 31 QE PHE 31 1.088 -1.776 2.834 333 QZ PHE 31 QR PHE 31 0.688 -1.226 2.528 334 H LYS 32 H LYS 32 -3.557 3.099 0.881 335 HA LYS 32 HA LYS 32 -2.521 5.321 -0.626 336 1HB LYS 32 2HB LYS 32 -5.215 4.123 -0.071 337 2HB LYS 32 1HB LYS 32 -5.080 5.631 -0.975 338 1HG LYS 32 2HG LYS 32 -3.700 4.599 -2.654 339 2HG LYS 32 1HG LYS 32 -3.540 3.125 -1.700 340 1HD LYS 32 2HD LYS 32 -5.197 2.761 -3.452 341 2HD LYS 32 1HD LYS 32 -6.014 2.791 -1.889 342 1HE LYS 32 2HE LYS 32 -6.595 5.191 -2.267 343 2HE LYS 32 1HE LYS 32 -5.857 5.087 -3.877 344 1HZ LYS 32 3HZ LYS 32 -8.030 3.326 -2.870 345 2HZ LYS 32 2HZ LYS 32 -8.244 4.617 -3.954 346 3HZ LYS 32 1HZ LYS 32 -7.331 3.260 -4.413 347 QB LYS 32 QB LYS 32 -5.147 4.877 -0.523 348 QG LYS 32 QG LYS 32 -3.620 3.862 -2.177 349 QD LYS 32 QD LYS 32 -5.606 2.776 -2.671 350 QE LYS 32 QE LYS 32 -6.226 5.139 -3.072 351 QZ LYS 32 QZ LYS 32 -7.868 3.734 -3.746 352 H GLN 33 H GLN 33 -3.232 5.120 2.662 353 HA GLN 33 HA GLN 33 -4.027 8.031 2.802 354 1HB GLN 33 2HB GLN 33 -4.295 5.665 4.700 355 2HB GLN 33 1HB GLN 33 -4.653 7.325 5.176 356 1HG GLN 33 2HG GLN 33 -6.373 7.493 3.455 357 2HG GLN 33 1HG GLN 33 -5.971 5.882 2.858 358 1HE2 GLN 33 2HE2 GLN 33 -8.374 6.284 6.106 359 2HE2 GLN 33 1HE2 GLN 33 -7.728 7.642 5.319 360 QB GLN 33 QB GLN 33 -4.474 6.495 4.938 361 QG GLN 33 QG GLN 33 -6.172 6.688 3.157 362 QE2 GLN 33 QE2 GLN 33 -8.051 6.963 5.712 363 H TYR 34 H TYR 34 -2.057 5.450 4.081 364 HA TYR 34 HA TYR 34 -0.176 6.739 5.727 365 1HB TYR 34 2HB TYR 34 -0.325 4.376 5.558 366 2HB TYR 34 1HB TYR 34 -0.313 4.422 3.793 367 HD1 TYR 34 1HD TYR 34 1.740 4.579 6.872 368 HD2 TYR 34 2HD TYR 34 1.824 4.604 2.578 369 HE1 TYR 34 1HE TYR 34 4.188 4.187 6.918 370 HE2 TYR 34 2HE TYR 34 4.273 4.212 2.624 371 HH TYR 34 HH TYR 34 5.944 3.356 5.523 372 QB TYR 34 QB TYR 34 -0.319 4.399 4.676 373 QG TYR 34 QD TYR 34 1.782 4.591 4.725 374 QZ TYR 34 QE TYR 34 4.230 4.200 4.771 375 QR TYR 34 QR TYR 34 3.006 4.396 4.748 376 H ALA 35 H ALA 35 -0.438 6.523 2.214 377 HA ALA 35 HA ALA 35 2.100 7.542 1.373 378 1HB ALA 35 1HB ALA 35 -0.641 7.144 0.328 379 2HB ALA 35 3HB ALA 35 0.248 8.453 -0.462 380 3HB ALA 35 2HB ALA 35 0.912 6.812 -0.443 381 QB ALA 35 QB ALA 35 0.173 7.469 -0.192 382 H ASN 36 H ASN 36 -1.034 9.246 1.659 383 HA ASN 36 HA ASN 36 -0.106 11.904 1.298 384 1HB ASN 36 2HB ASN 36 -2.448 10.578 2.638 385 2HB ASN 36 1HB ASN 36 -2.268 12.332 2.711 386 1HD2 ASN 36 2HD2 ASN 36 -3.103 10.560 -0.898 387 2HD2 ASN 36 1HD2 ASN 36 -2.510 9.614 0.380 388 QB ASN 36 QB ASN 36 -2.358 11.455 2.675 389 QD2 ASN 36 QD2 ASN 36 -2.807 10.087 -0.259 390 H ASP 37 H ASP 37 -0.601 10.047 4.305 391 HA ASP 37 HA ASP 37 -0.058 11.978 6.246 392 1HB ASP 37 2HB ASP 37 -0.590 9.386 6.286 393 2HB ASP 37 1HB ASP 37 1.159 9.252 6.472 394 QB ASP 37 QB ASP 37 0.284 9.319 6.379 395 H ASN 38 H ASN 38 2.192 10.463 4.072 396 HA ASN 38 HA ASN 38 4.486 11.729 5.440 397 1HB ASN 38 2HB ASN 38 4.098 9.206 4.483 398 2HB ASN 38 1HB ASN 38 4.891 9.966 3.103 399 1HD2 ASN 38 2HD2 ASN 38 7.948 9.222 4.731 400 2HD2 ASN 38 1HD2 ASN 38 6.955 8.925 3.386 401 QB ASN 38 QB ASN 38 4.494 9.586 3.793 402 QD2 ASN 38 QD2 ASN 38 7.452 9.073 4.058 403 H GLY 39 H GLY 39 3.139 11.287 2.169 404 1HA GLY 39 2HA GLY 39 2.886 13.606 0.989 405 2HA GLY 39 1HA GLY 39 4.635 13.690 1.237 406 QA GLY 39 QA GLY 39 3.761 13.648 1.113 407 H ILE 40 H ILE 40 2.240 11.308 0.078 408 HA ILE 40 HA ILE 40 4.182 10.492 -2.064 409 HB ILE 40 HB ILE 40 2.059 9.129 -0.440 410 1HG1 ILE 40 2HG1 ILE 40 4.673 9.805 0.234 411 2HG1 ILE 40 1HG1 ILE 40 3.666 8.640 1.068 412 1HG2 ILE 40 3HG2 ILE 40 2.164 8.161 -2.703 413 2HG2 ILE 40 2HG2 ILE 40 3.890 7.866 -2.479 414 3HG2 ILE 40 1HG2 ILE 40 2.711 7.027 -1.466 415 1HD1 ILE 40 1HD1 ILE 40 5.332 7.858 -1.312 416 2HD1 ILE 40 3HD1 ILE 40 6.003 7.883 0.322 417 3HD1 ILE 40 2HD1 ILE 40 4.643 6.821 -0.055 418 QG1 ILE 40 QG1 ILE 40 4.170 9.222 0.651 419 QG2 ILE 40 QG2 ILE 40 2.922 7.685 -2.216 420 QD1 ILE 40 QD1 ILE 40 5.326 7.520 -0.348 421 H ASP 41 H ASP 41 3.360 10.581 -4.190 422 HA ASP 41 HA ASP 41 0.517 10.398 -4.788 423 1HB ASP 41 2HB ASP 41 0.294 12.769 -5.554 424 2HB ASP 41 1HB ASP 41 0.577 12.640 -3.820 425 QB ASP 41 QB ASP 41 0.436 12.705 -4.687 426 H GLY 42 H GLY 42 0.996 9.007 -6.483 427 1HA GLY 42 2HA GLY 42 1.973 10.188 -8.958 428 2HA GLY 42 1HA GLY 42 3.078 8.981 -8.299 429 QA GLY 42 QA GLY 42 2.525 9.585 -8.629 430 H GLU 43 H GLU 43 2.609 6.836 -8.638 431 HA GLU 43 HA GLU 43 -0.013 6.206 -9.967 432 1HB GLU 43 2HB GLU 43 2.509 5.981 -10.946 433 2HB GLU 43 1HB GLU 43 2.326 4.389 -10.206 434 1HG GLU 43 2HG GLU 43 0.353 3.924 -11.501 435 2HG GLU 43 1HG GLU 43 0.274 5.587 -12.084 436 QB GLU 43 QB GLU 43 2.418 5.185 -10.576 437 QG GLU 43 QG GLU 43 0.313 4.756 -11.792 438 H TRP 44 H TRP 44 -0.547 3.749 -9.662 439 HA TRP 44 HA TRP 44 0.275 2.594 -7.037 440 1HB TRP 44 2HB TRP 44 -2.398 3.800 -7.726 441 2HB TRP 44 1HB TRP 44 -2.343 2.388 -6.665 442 HD1 TRP 44 HD TRP 44 -1.295 6.056 -6.829 443 HE1 TRP 44 1HE TRP 44 -0.673 6.825 -4.448 444 HE3 TRP 44 3HE TRP 44 -1.517 1.580 -4.401 445 HZ2 TRP 44 2HZ TRP 44 -0.313 5.685 -1.851 446 HZ3 TRP 44 3HZ TRP 44 -1.027 1.451 -1.964 447 HH2 TRP 44 HH TRP 44 -0.420 3.500 -0.698 448 QB TRP 44 QB TRP 44 -2.370 3.094 -7.196 449 H THR 45 H THR 45 0.429 0.415 -7.340 450 HA THR 45 HA THR 45 -1.442 -0.919 -9.244 451 HB THR 45 HB THR 45 0.326 -1.940 -10.464 452 HG1 THR 45 1HG THR 45 2.264 -2.234 -9.666 453 1HG2 THR 45 1HG2 THR 45 0.020 0.454 -11.017 454 2HG2 THR 45 3HG2 THR 45 1.271 0.867 -9.844 455 3HG2 THR 45 2HG2 THR 45 1.684 -0.072 -11.283 456 QG2 THR 45 QG2 THR 45 0.991 0.416 -10.715 457 H TYR 46 H TYR 46 -2.168 -2.799 -8.392 458 HA TYR 46 HA TYR 46 -0.945 -3.752 -5.853 459 1HB TYR 46 2HB TYR 46 -3.314 -3.321 -5.789 460 2HB TYR 46 1HB TYR 46 -3.583 -4.243 -7.271 461 HD1 TYR 46 1HD TYR 46 -1.805 -4.820 -4.011 462 HD2 TYR 46 2HD TYR 46 -4.581 -6.322 -6.923 463 HE1 TYR 46 1HE TYR 46 -2.055 -6.902 -2.694 464 HE2 TYR 46 2HE TYR 46 -4.835 -8.406 -5.604 465 HH TYR 46 HH TYR 46 -3.495 -9.694 -3.931 466 QB TYR 46 QB TYR 46 -3.448 -3.782 -6.530 467 QG TYR 46 QD TYR 46 -3.193 -5.571 -5.467 468 QZ TYR 46 QE TYR 46 -3.445 -7.654 -4.149 469 QR TYR 46 QR TYR 46 -3.319 -6.612 -4.808 470 H ASP 47 H ASP 47 0.306 -5.577 -5.860 471 HA ASP 47 HA ASP 47 0.479 -7.200 -8.348 472 1HB ASP 47 2HB ASP 47 2.407 -6.127 -6.902 473 2HB ASP 47 1HB ASP 47 2.164 -7.543 -5.879 474 QB ASP 47 QB ASP 47 2.286 -6.835 -6.390 475 H ASP 48 H ASP 48 -1.311 -8.595 -8.234 476 HA ASP 48 HA ASP 48 -2.202 -9.906 -5.819 477 1HB ASP 48 2HB ASP 48 -3.571 -11.213 -7.450 478 2HB ASP 48 1HB ASP 48 -3.659 -9.476 -7.724 479 QB ASP 48 QB ASP 48 -3.615 -10.344 -7.587 480 H ALA 49 H ALA 49 0.583 -10.482 -7.633 481 HA ALA 49 HA ALA 49 0.590 -13.416 -7.262 482 1HB ALA 49 3HB ALA 49 1.507 -11.777 -9.217 483 2HB ALA 49 2HB ALA 49 2.964 -11.905 -8.231 484 3HB ALA 49 1HB ALA 49 2.216 -13.358 -8.891 485 QB ALA 49 QB ALA 49 2.229 -12.347 -8.780 486 H THR 50 H THR 50 1.906 -10.476 -5.856 487 HA THR 50 HA THR 50 3.349 -12.147 -3.825 488 HB THR 50 HB THR 50 5.029 -10.312 -3.803 489 HG1 THR 50 1HG THR 50 4.725 -8.559 -4.953 490 1HG2 THR 50 2HG2 THR 50 4.853 -12.325 -5.575 491 2HG2 THR 50 1HG2 THR 50 4.790 -10.964 -6.694 492 3HG2 THR 50 3HG2 THR 50 6.168 -11.151 -5.608 493 QG2 THR 50 QG2 THR 50 5.270 -11.480 -5.959 494 H LYS 51 H LYS 51 0.680 -10.282 -4.239 495 HA LYS 51 HA LYS 51 -0.648 -8.962 -2.807 496 1HB LYS 51 2HB LYS 51 1.165 -10.307 -0.771 497 2HB LYS 51 1HB LYS 51 -0.382 -9.543 -0.410 498 1HG LYS 51 2HG LYS 51 -0.266 -11.675 -2.522 499 2HG LYS 51 1HG LYS 51 -0.265 -12.146 -0.822 500 1HD LYS 51 2HD LYS 51 -2.313 -10.720 -0.499 501 2HD LYS 51 1HD LYS 51 -2.355 -10.476 -2.246 502 1HE LYS 51 2HE LYS 51 -2.829 -12.752 -2.676 503 2HE LYS 51 1HE LYS 51 -2.271 -13.260 -1.069 504 1HZ LYS 51 1HZ LYS 51 -4.067 -11.946 -0.088 505 2HZ LYS 51 3HZ LYS 51 -4.626 -11.535 -1.636 506 3HZ LYS 51 2HZ LYS 51 -4.680 -13.152 -1.116 507 QB LYS 51 QB LYS 51 0.391 -9.925 -0.591 508 QG LYS 51 QG LYS 51 -0.266 -11.910 -1.672 509 QD LYS 51 QD LYS 51 -2.334 -10.598 -1.372 510 QE LYS 51 QE LYS 51 -2.550 -13.006 -1.873 511 QZ LYS 51 QZ LYS 51 -4.458 -12.211 -0.947 512 H THR 52 H THR 52 1.621 -7.664 -3.975 513 HA THR 52 HA THR 52 2.327 -5.714 -1.794 514 HB THR 52 HB THR 52 4.064 -6.409 -4.167 515 HG1 THR 52 1HG THR 52 4.923 -8.040 -3.033 516 1HG2 THR 52 3HG2 THR 52 4.564 -5.236 -1.420 517 2HG2 THR 52 2HG2 THR 52 5.840 -5.662 -2.561 518 3HG2 THR 52 1HG2 THR 52 4.680 -4.396 -2.968 519 QG2 THR 52 QG2 THR 52 5.028 -5.098 -2.316 520 H PHE 53 H PHE 53 1.732 -3.627 -2.281 521 HA PHE 53 HA PHE 53 0.595 -3.023 -4.924 522 1HB PHE 53 2HB PHE 53 0.914 -1.513 -2.322 523 2HB PHE 53 1HB PHE 53 0.119 -0.822 -3.735 524 HD1 PHE 53 2HD PHE 53 -0.009 -3.634 -1.287 525 HD2 PHE 53 1HD PHE 53 -2.134 -1.409 -4.301 526 HE1 PHE 53 2HE PHE 53 -2.123 -4.797 -0.666 527 HE2 PHE 53 1HE PHE 53 -4.225 -2.582 -3.681 528 1HZ PHE 53 HZ PHE 53 -4.220 -4.272 -1.871 529 QB PHE 53 QB PHE 53 0.517 -1.167 -3.028 530 QG PHE 53 QD PHE 53 -1.072 -2.522 -2.794 531 QZ PHE 53 QE PHE 53 -3.174 -3.689 -2.174 532 QZ PHE 53 QR PHE 53 -2.542 -3.339 -2.361 533 H THR 54 H THR 54 1.318 -0.396 -5.460 534 HA THR 54 HA THR 54 4.246 -0.099 -5.231 535 HB THR 54 HB THR 54 3.071 -0.135 -7.999 536 HG1 THR 54 1HG THR 54 2.498 -2.136 -7.497 537 1HG2 THR 54 2HG2 THR 54 5.443 0.615 -7.328 538 2HG2 THR 54 1HG2 THR 54 5.767 -1.097 -7.058 539 3HG2 THR 54 3HG2 THR 54 5.302 -0.529 -8.662 540 QG2 THR 54 QG2 THR 54 5.504 -0.337 -7.683 541 H VAL 55 H VAL 55 3.768 1.894 -4.260 542 HA VAL 55 HA VAL 55 2.057 3.780 -5.774 543 HB VAL 55 HB VAL 55 1.455 3.521 -3.479 544 1HG1 VAL 55 1HG1 VAL 55 4.392 3.943 -2.904 545 2HG1 VAL 55 3HG1 VAL 55 3.149 4.112 -1.664 546 3HG1 VAL 55 2HG1 VAL 55 3.374 2.565 -2.478 547 1HG2 VAL 55 2HG2 VAL 55 1.443 5.852 -4.355 548 2HG2 VAL 55 1HG2 VAL 55 1.688 5.786 -2.610 549 3HG2 VAL 55 3HG2 VAL 55 3.056 6.086 -3.682 550 QG1 VAL 55 QG1 VAL 55 3.639 3.540 -2.349 551 QG2 VAL 55 QG2 VAL 55 2.062 5.908 -3.549 552 QQG VAL 55 QQG VAL 55 2.850 4.724 -2.949 553 H THR 56 H THR 56 3.144 4.841 -7.304 554 HA THR 56 HA THR 56 5.951 5.683 -6.927 555 HB THR 56 HB THR 56 3.912 5.436 -9.117 556 HG1 THR 56 1HG THR 56 5.258 3.804 -9.135 557 1HG2 THR 56 3HG2 THR 56 6.259 7.343 -9.211 558 2HG2 THR 56 2HG2 THR 56 5.557 6.640 -10.668 559 3HG2 THR 56 1HG2 THR 56 4.573 7.667 -9.624 560 QG2 THR 56 QG2 THR 56 5.463 7.216 -9.834 561 H GLU 57 H GLU 57 6.465 8.039 -7.349 562 HA GLU 57 HA GLU 57 4.241 9.861 -6.491 563 1HB GLU 57 2HB GLU 57 5.819 9.246 -4.655 564 2HB GLU 57 1HB GLU 57 7.150 9.893 -5.616 565 1HG GLU 57 2HG GLU 57 4.801 11.677 -5.196 566 2HG GLU 57 1HG GLU 57 5.842 11.385 -3.802 567 QB GLU 57 QB GLU 57 6.485 9.570 -5.135 568 QG GLU 57 QG GLU 57 5.321 11.531 -4.499 No H/Q in entry = 568 Start of MODEL 47 1 1H MET 1 3HT MET 1 -0.812 -15.516 6.593 2 2H MET 1 2HT MET 1 -1.329 -16.047 8.122 3 3H MET 1 1HT MET 1 -2.405 -16.057 6.807 4 HA MET 1 HA MET 1 -2.991 -14.176 8.102 5 1HB MET 1 2HB MET 1 -1.183 -12.587 8.778 6 2HB MET 1 1HB MET 1 -0.933 -14.205 9.432 7 1HG MET 1 2HG MET 1 0.287 -13.634 6.772 8 2HG MET 1 1HG MET 1 1.017 -12.842 8.168 9 1HE MET 1 1HE MET 1 2.705 -13.654 9.359 10 2HE MET 1 3HE MET 1 3.459 -15.248 9.208 11 3HE MET 1 2HE MET 1 3.352 -14.184 7.808 12 QB MET 1 QB MET 1 -1.058 -13.396 9.105 13 QG MET 1 QG MET 1 0.652 -13.238 7.470 14 QE MET 1 QE MET 1 3.172 -14.362 8.792 15 H THR 2 H THR 2 -2.683 -11.702 7.352 16 HA THR 2 HA THR 2 -2.411 -11.723 4.361 17 HB THR 2 HB THR 2 -4.253 -10.125 6.168 18 HG1 THR 2 1HG THR 2 -4.774 -12.280 4.400 19 1HG2 THR 2 2HG2 THR 2 -3.678 -10.119 3.238 20 2HG2 THR 2 1HG2 THR 2 -5.349 -9.888 3.749 21 3HG2 THR 2 3HG2 THR 2 -4.097 -8.775 4.300 22 QG2 THR 2 QG2 THR 2 -4.375 -9.594 3.762 23 H THR 3 H THR 3 -0.053 -11.154 5.223 24 HA THR 3 HA THR 3 0.285 -8.383 6.155 25 HB THR 3 HB THR 3 2.287 -10.445 5.177 26 HG1 THR 3 1HG THR 3 1.660 -11.432 6.910 27 1HG2 THR 3 2HG2 THR 3 2.657 -7.755 5.772 28 2HG2 THR 3 1HG2 THR 3 3.082 -8.569 7.277 29 3HG2 THR 3 3HG2 THR 3 3.911 -8.995 5.781 30 QG2 THR 3 QG2 THR 3 3.217 -8.439 6.277 31 H PHE 4 H PHE 4 -0.661 -7.198 4.358 32 HA PHE 4 HA PHE 4 0.326 -7.544 1.631 33 1HB PHE 4 2HB PHE 4 -1.523 -5.758 3.156 34 2HB PHE 4 1HB PHE 4 -0.923 -5.166 1.606 35 HD1 PHE 4 1HD PHE 4 -1.020 -6.875 -0.383 36 HD2 PHE 4 2HD PHE 4 -3.390 -7.180 3.182 37 HE1 PHE 4 1HE PHE 4 -2.620 -8.339 -1.575 38 HE2 PHE 4 2HE PHE 4 -4.998 -8.639 1.982 39 1HZ PHE 4 HZ PHE 4 -4.613 -9.221 -0.393 40 QB PHE 4 QB PHE 4 -1.223 -5.462 2.381 41 QG PHE 4 QD PHE 4 -2.205 -7.027 1.399 42 QZ PHE 4 QE PHE 4 -3.809 -8.489 0.204 43 QZ PHE 4 QR PHE 4 -3.328 -8.051 0.562 44 H LYS 5 H LYS 5 2.001 -6.416 0.655 45 HA LYS 5 HA LYS 5 3.634 -4.634 2.408 46 1HB LYS 5 2HB LYS 5 4.212 -6.081 -0.200 47 2HB LYS 5 1HB LYS 5 5.396 -5.166 0.734 48 1HG LYS 5 2HG LYS 5 5.075 -6.671 2.650 49 2HG LYS 5 1HG LYS 5 3.861 -7.576 1.748 50 1HD LYS 5 2HD LYS 5 5.684 -7.928 -0.030 51 2HD LYS 5 1HD LYS 5 6.823 -7.370 1.197 52 1HE LYS 5 2HE LYS 5 6.675 -9.317 2.382 53 2HE LYS 5 1HE LYS 5 4.920 -9.433 2.143 54 1HZ LYS 5 1HZ LYS 5 6.912 -9.880 -0.012 55 2HZ LYS 5 3HZ LYS 5 6.224 -11.135 0.898 56 3HZ LYS 5 2HZ LYS 5 5.238 -10.162 -0.086 57 QB LYS 5 QB LYS 5 4.804 -5.623 0.267 58 QG LYS 5 QG LYS 5 4.468 -7.123 2.199 59 QD LYS 5 QD LYS 5 6.254 -7.649 0.584 60 QE LYS 5 QE LYS 5 5.797 -9.375 2.262 61 QZ LYS 5 QZ LYS 5 6.125 -10.392 0.267 62 H LEU 6 H LEU 6 4.979 -3.085 0.690 63 HA LEU 6 HA LEU 6 3.305 -1.884 -1.389 64 1HB LEU 6 2HB LEU 6 2.198 -1.090 0.652 65 2HB LEU 6 1HB LEU 6 3.736 -0.508 1.287 66 HG LEU 6 HG LEU 6 3.752 0.833 -1.034 67 1HD1 LEU 6 3HD1 LEU 6 0.948 -0.054 -0.603 68 2HD1 LEU 6 2HD1 LEU 6 1.187 1.623 -1.090 69 3HD1 LEU 6 1HD1 LEU 6 1.793 0.317 -2.106 70 1HD2 LEU 6 2HD2 LEU 6 3.403 1.480 1.607 71 2HD2 LEU 6 1HD2 LEU 6 3.453 2.659 0.296 72 3HD2 LEU 6 3HD2 LEU 6 1.902 2.083 0.905 73 QB LEU 6 QB LEU 6 2.967 -0.799 0.970 74 QD1 LEU 6 QD1 LEU 6 1.309 0.629 -1.266 75 QD2 LEU 6 QD2 LEU 6 2.919 2.074 0.936 76 QQD LEU 6 QQD LEU 6 2.114 1.351 -0.165 77 H ILE 7 H ILE 7 5.011 -1.687 -2.817 78 HA ILE 7 HA ILE 7 7.659 -0.742 -1.895 79 HB ILE 7 HB ILE 7 6.543 -1.593 -4.593 80 1HG1 ILE 7 2HG1 ILE 7 8.347 -3.093 -2.669 81 2HG1 ILE 7 1HG1 ILE 7 6.604 -3.342 -2.778 82 1HG2 ILE 7 3HG2 ILE 7 9.308 -0.836 -3.658 83 2HG2 ILE 7 2HG2 ILE 7 9.082 -1.933 -5.020 84 3HG2 ILE 7 1HG2 ILE 7 8.445 -0.290 -5.095 85 1HD1 ILE 7 3HD1 ILE 7 8.514 -3.643 -5.112 86 2HD1 ILE 7 2HD1 ILE 7 7.919 -4.987 -4.137 87 3HD1 ILE 7 1HD1 ILE 7 6.794 -4.031 -5.101 88 QG1 ILE 7 QG1 ILE 7 7.476 -3.218 -2.723 89 QG2 ILE 7 QG2 ILE 7 8.945 -1.020 -4.591 90 QD1 ILE 7 QD1 ILE 7 7.742 -4.220 -4.783 91 H ILE 8 H ILE 8 7.905 1.475 -1.734 92 HA ILE 8 HA ILE 8 6.225 3.191 -3.472 93 HB ILE 8 HB ILE 8 7.989 3.792 -1.069 94 1HG1 ILE 8 2HG1 ILE 8 5.718 4.410 -0.085 95 2HG1 ILE 8 1HG1 ILE 8 4.992 3.644 -1.494 96 1HG2 ILE 8 2HG2 ILE 8 6.177 5.604 -2.700 97 2HG2 ILE 8 1HG2 ILE 8 6.945 6.054 -1.174 98 3HG2 ILE 8 3HG2 ILE 8 7.938 5.717 -2.593 99 1HD1 ILE 8 1HD1 ILE 8 7.024 2.134 0.090 100 2HD1 ILE 8 3HD1 ILE 8 5.372 2.252 0.699 101 3HD1 ILE 8 2HD1 ILE 8 5.680 1.536 -0.884 102 QG1 ILE 8 QG1 ILE 8 5.355 4.027 -0.790 103 QG2 ILE 8 QG2 ILE 8 7.020 5.792 -2.155 104 QD1 ILE 8 QD1 ILE 8 6.025 1.974 -0.032 105 H ASN 9 H ASN 9 7.144 3.926 -5.366 106 HA ASN 9 HA ASN 9 10.133 4.064 -5.546 107 1HB ASN 9 2HB ASN 9 9.088 2.511 -7.089 108 2HB ASN 9 1HB ASN 9 7.919 3.723 -7.591 109 1HD2 ASN 9 2HD2 ASN 9 10.052 5.067 -10.056 110 2HD2 ASN 9 1HD2 ASN 9 8.487 4.992 -9.397 111 QB ASN 9 QB ASN 9 8.503 3.117 -7.340 112 QD2 ASN 9 QD2 ASN 9 9.270 5.029 -9.727 113 H GLY 10 H GLY 10 10.497 6.192 -4.805 114 1HA GLY 10 2HA GLY 10 10.050 8.349 -6.649 115 2HA GLY 10 1HA GLY 10 8.927 8.482 -5.294 116 QA GLY 10 QA GLY 10 9.488 8.416 -5.972 117 H LYS 11 H LYS 11 9.775 10.126 -4.066 118 HA LYS 11 HA LYS 11 12.672 9.931 -3.308 119 1HB LYS 11 2HB LYS 11 12.532 12.394 -3.045 120 2HB LYS 11 1HB LYS 11 12.080 11.896 -4.672 121 1HG LYS 11 2HG LYS 11 9.709 12.091 -4.116 122 2HG LYS 11 1HG LYS 11 10.106 12.469 -2.441 123 1HD LYS 11 2HD LYS 11 11.416 14.182 -4.473 124 2HD LYS 11 1HD LYS 11 9.667 14.363 -4.343 125 1HE LYS 11 2HE LYS 11 10.092 15.745 -2.585 126 2HE LYS 11 1HE LYS 11 10.523 14.282 -1.678 127 1HZ LYS 11 2HZ LYS 11 12.401 15.723 -3.472 128 2HZ LYS 11 1HZ LYS 11 12.330 15.979 -1.794 129 3HZ LYS 11 3HZ LYS 11 12.769 14.457 -2.401 130 QB LYS 11 QB LYS 11 12.306 12.145 -3.859 131 QG LYS 11 QG LYS 11 9.907 12.280 -3.279 132 QD LYS 11 QD LYS 11 10.541 14.272 -4.408 133 QE LYS 11 QE LYS 11 10.308 15.014 -2.132 134 QZ LYS 11 QZ LYS 11 12.500 15.386 -2.556 135 H THR 12 H THR 12 9.371 10.458 -2.150 136 HA THR 12 HA THR 12 10.231 10.755 0.658 137 HB THR 12 HB THR 12 7.620 10.697 0.864 138 HG1 THR 12 1HG THR 12 6.702 11.302 -1.202 139 1HG2 THR 12 3HG2 THR 12 9.346 12.703 0.683 140 2HG2 THR 12 2HG2 THR 12 8.560 12.940 -0.878 141 3HG2 THR 12 1HG2 THR 12 7.608 12.996 0.607 142 QG2 THR 12 QG2 THR 12 8.505 12.880 0.137 143 H LEU 13 H LEU 13 10.966 8.878 1.549 144 HA LEU 13 HA LEU 13 10.967 6.678 2.340 145 1HB LEU 13 2HB LEU 13 8.978 6.310 3.380 146 2HB LEU 13 1HB LEU 13 8.402 7.761 2.574 147 HG LEU 13 HG LEU 13 7.787 6.195 0.620 148 1HD1 LEU 13 2HD1 LEU 13 9.106 4.311 2.082 149 2HD1 LEU 13 1HD1 LEU 13 7.454 4.031 2.624 150 3HD1 LEU 13 3HD1 LEU 13 7.848 3.919 0.909 151 1HD2 LEU 13 3HD2 LEU 13 6.296 7.278 2.482 152 2HD2 LEU 13 2HD2 LEU 13 5.616 5.984 1.494 153 3HD2 LEU 13 1HD2 LEU 13 6.205 5.636 3.119 154 QB LEU 13 QB LEU 13 8.690 7.035 2.977 155 QD1 LEU 13 QD1 LEU 13 8.136 4.087 1.872 156 QD2 LEU 13 QD2 LEU 13 6.039 6.299 2.365 157 QQD LEU 13 QQD LEU 13 7.087 5.193 2.118 158 H LYS 14 H LYS 14 11.155 4.525 1.489 159 HA LYS 14 HA LYS 14 10.119 3.870 -1.141 160 1HB LYS 14 2HB LYS 14 12.377 3.743 -2.184 161 2HB LYS 14 1HB LYS 14 11.975 5.384 -1.684 162 1HG LYS 14 2HG LYS 14 13.179 4.762 0.540 163 2HG LYS 14 1HG LYS 14 13.877 3.436 -0.392 164 1HD LYS 14 2HD LYS 14 13.979 6.303 -1.347 165 2HD LYS 14 1HD LYS 14 15.237 5.605 -0.326 166 1HE LYS 14 2HE LYS 14 15.773 3.936 -1.987 167 2HE LYS 14 1HE LYS 14 14.358 4.380 -2.962 168 1HZ LYS 14 3HZ LYS 14 15.277 6.659 -3.085 169 2HZ LYS 14 2HZ LYS 14 16.687 6.108 -2.314 170 3HZ LYS 14 1HZ LYS 14 16.264 5.508 -3.847 171 QB LYS 14 QB LYS 14 12.176 4.563 -1.934 172 QG LYS 14 QG LYS 14 13.528 4.099 0.074 173 QD LYS 14 QD LYS 14 14.608 5.954 -0.837 174 QE LYS 14 QE LYS 14 15.065 4.158 -2.475 175 QZ LYS 14 QZ LYS 14 16.076 6.092 -3.082 176 H GLY 15 H GLY 15 9.809 1.694 -1.165 177 1HA GLY 15 2HA GLY 15 11.086 -0.520 -0.908 178 2HA GLY 15 1HA GLY 15 11.417 0.033 0.735 179 QA GLY 15 QA GLY 15 11.252 -0.244 -0.086 180 H GLU 16 H GLU 16 10.237 -2.212 0.977 181 HA GLU 16 HA GLU 16 7.290 -1.957 0.855 182 1HB GLU 16 2HB GLU 16 7.368 -4.359 1.155 183 2HB GLU 16 1HB GLU 16 8.602 -3.910 -0.020 184 1HG GLU 16 2HG GLU 16 10.055 -3.738 2.261 185 2HG GLU 16 1HG GLU 16 8.914 -5.003 2.719 186 QB GLU 16 QB GLU 16 7.985 -4.134 0.567 187 QG GLU 16 QG GLU 16 9.484 -4.370 2.490 188 H ILE 17 H ILE 17 5.975 -2.112 2.728 189 HA ILE 17 HA ILE 17 7.405 -1.691 5.331 190 HB ILE 17 HB ILE 17 4.666 -0.822 4.350 191 1HG1 ILE 17 2HG1 ILE 17 6.529 0.388 3.275 192 2HG1 ILE 17 1HG1 ILE 17 5.658 1.447 4.381 193 1HG2 ILE 17 3HG2 ILE 17 4.707 -1.219 6.787 194 2HG2 ILE 17 2HG2 ILE 17 6.122 -0.175 6.933 195 3HG2 ILE 17 1HG2 ILE 17 4.574 0.503 6.429 196 1HD1 ILE 17 1HD1 ILE 17 7.589 0.324 6.017 197 2HD1 ILE 17 3HD1 ILE 17 8.444 0.521 4.486 198 3HD1 ILE 17 2HD1 ILE 17 7.694 1.915 5.264 199 QG1 ILE 17 QG1 ILE 17 6.093 0.917 3.828 200 QG2 ILE 17 QG2 ILE 17 5.135 -0.297 6.716 201 QD1 ILE 17 QD1 ILE 17 7.909 0.920 5.256 202 H THR 18 H THR 18 4.972 -3.567 3.640 203 HA THR 18 HA THR 18 3.761 -5.486 4.231 204 HB THR 18 HB THR 18 4.972 -7.087 5.461 205 HG1 THR 18 1HG THR 18 6.428 -5.066 6.785 206 1HG2 THR 18 2HG2 THR 18 6.366 -5.524 3.639 207 2HG2 THR 18 1HG2 THR 18 7.456 -5.609 5.023 208 3HG2 THR 18 3HG2 THR 18 6.880 -7.093 4.261 209 QG2 THR 18 QG2 THR 18 6.901 -6.075 4.308 210 H ILE 19 H ILE 19 1.784 -5.144 5.114 211 HA ILE 19 HA ILE 19 1.610 -4.676 8.054 212 HB ILE 19 HB ILE 19 -0.083 -2.905 7.639 213 1HG1 ILE 19 2HG1 ILE 19 0.212 -2.033 5.097 214 2HG1 ILE 19 1HG1 ILE 19 0.398 -3.765 4.827 215 1HG2 ILE 19 2HG2 ILE 19 2.413 -2.448 7.860 216 2HG2 ILE 19 1HG2 ILE 19 2.452 -2.305 6.102 217 3HG2 ILE 19 3HG2 ILE 19 1.476 -1.188 7.056 218 1HD1 ILE 19 3HD1 ILE 19 -1.746 -3.853 6.427 219 2HD1 ILE 19 2HD1 ILE 19 -1.984 -2.233 5.772 220 3HD1 ILE 19 1HD1 ILE 19 -1.901 -3.620 4.685 221 QG1 ILE 19 QG1 ILE 19 0.305 -2.899 4.962 222 QG2 ILE 19 QG2 ILE 19 2.113 -1.981 7.006 223 QD1 ILE 19 QD1 ILE 19 -1.877 -3.235 5.628 224 H GLU 20 H GLU 20 0.003 -5.891 8.981 225 HA GLU 20 HA GLU 20 -1.418 -7.876 7.425 226 1HB GLU 20 2HB GLU 20 -0.609 -8.015 9.823 227 2HB GLU 20 1HB GLU 20 -1.930 -6.932 10.262 228 1HG GLU 20 2HG GLU 20 -3.536 -8.563 9.244 229 2HG GLU 20 1HG GLU 20 -2.187 -9.668 8.983 230 QB GLU 20 QB GLU 20 -1.269 -7.473 10.043 231 QG GLU 20 QG GLU 20 -2.862 -9.115 9.113 232 H ALA 21 H ALA 21 -3.675 -7.974 6.978 233 HA ALA 21 HA ALA 21 -5.511 -5.843 7.760 234 1HB ALA 21 1HB ALA 21 -3.931 -4.890 5.978 235 2HB ALA 21 3HB ALA 21 -4.704 -6.003 4.848 236 3HB ALA 21 2HB ALA 21 -5.656 -4.746 5.639 237 QB ALA 21 QB ALA 21 -4.764 -5.213 5.488 238 H VAL 22 H VAL 22 -7.690 -6.296 6.995 239 HA VAL 22 HA VAL 22 -8.476 -8.984 6.876 240 HB VAL 22 HB VAL 22 -9.933 -7.075 7.404 241 1HG1 VAL 22 1HG1 VAL 22 -8.865 -5.656 5.522 242 2HG1 VAL 22 3HG1 VAL 22 -10.033 -6.437 4.456 243 3HG1 VAL 22 2HG1 VAL 22 -10.594 -5.458 5.811 244 1HG2 VAL 22 2HG2 VAL 22 -10.831 -8.673 4.986 245 2HG2 VAL 22 1HG2 VAL 22 -11.034 -9.129 6.678 246 3HG2 VAL 22 3HG2 VAL 22 -11.910 -7.743 6.025 247 QG1 VAL 22 QG1 VAL 22 -9.831 -5.851 5.263 248 QG2 VAL 22 QG2 VAL 22 -11.258 -8.515 5.896 249 QQG VAL 22 QQG VAL 22 -10.545 -7.183 5.580 250 H ASP 23 H ASP 23 -7.807 -6.756 4.173 251 HA ASP 23 HA ASP 23 -7.237 -9.023 2.388 252 1HB ASP 23 2HB ASP 23 -9.833 -7.703 2.524 253 2HB ASP 23 1HB ASP 23 -9.120 -7.520 0.922 254 QB ASP 23 QB ASP 23 -9.477 -7.611 1.723 255 H ALA 24 H ALA 24 -6.891 -7.941 0.032 256 HA ALA 24 HA ALA 24 -4.774 -6.025 0.323 257 1HB ALA 24 3HB ALA 24 -5.557 -7.773 -1.577 258 2HB ALA 24 2HB ALA 24 -6.227 -6.295 -2.270 259 3HB ALA 24 1HB ALA 24 -4.498 -6.408 -1.934 260 QB ALA 24 QB ALA 24 -5.427 -6.825 -1.927 261 H ALA 25 H ALA 25 -8.227 -5.717 -0.370 262 HA ALA 25 HA ALA 25 -8.374 -3.062 -1.302 263 1HB ALA 25 2HB ALA 25 -10.176 -4.876 -1.018 264 2HB ALA 25 1HB ALA 25 -10.298 -4.332 0.655 265 3HB ALA 25 3HB ALA 25 -10.672 -3.221 -0.663 266 QB ALA 25 QB ALA 25 -10.382 -4.143 -0.342 267 H GLU 26 H GLU 26 -8.419 -4.272 2.054 268 HA GLU 26 HA GLU 26 -8.517 -1.662 3.306 269 1HB GLU 26 2HB GLU 26 -8.711 -4.356 4.033 270 2HB GLU 26 1HB GLU 26 -7.220 -3.828 4.812 271 1HG GLU 26 2HG GLU 26 -8.683 -1.743 5.513 272 2HG GLU 26 1HG GLU 26 -10.025 -2.856 5.241 273 QB GLU 26 QB GLU 26 -7.966 -4.092 4.422 274 QG GLU 26 QG GLU 26 -9.354 -2.300 5.377 275 H ALA 27 H ALA 27 -5.871 -3.967 2.600 276 HA ALA 27 HA ALA 27 -3.698 -2.500 3.700 277 1HB ALA 27 3HB ALA 27 -4.104 -4.497 1.500 278 2HB ALA 27 2HB ALA 27 -2.529 -3.711 1.632 279 3HB ALA 27 1HB ALA 27 -3.166 -4.648 2.985 280 QB ALA 27 QB ALA 27 -3.266 -4.285 2.039 281 H GLU 28 H GLU 28 -5.220 -2.303 0.482 282 HA GLU 28 HA GLU 28 -3.457 -0.367 -0.674 283 1HB GLU 28 2HB GLU 28 -5.328 -1.847 -1.700 284 2HB GLU 28 1HB GLU 28 -6.430 -0.570 -1.191 285 1HG GLU 28 2HG GLU 28 -4.812 1.041 -2.414 286 2HG GLU 28 1HG GLU 28 -4.170 -0.407 -3.192 287 QB GLU 28 QB GLU 28 -5.879 -1.209 -1.445 288 QG GLU 28 QG GLU 28 -4.491 0.317 -2.803 289 H LYS 29 H LYS 29 -6.449 -0.019 1.256 290 HA LYS 29 HA LYS 29 -6.505 2.871 1.096 291 1HB LYS 29 2HB LYS 29 -8.527 2.521 2.076 292 2HB LYS 29 1HB LYS 29 -8.197 0.825 1.824 293 1HG LYS 29 2HG LYS 29 -8.858 0.965 4.089 294 2HG LYS 29 1HG LYS 29 -7.113 0.828 4.154 295 1HD LYS 29 2HD LYS 29 -8.196 2.574 5.691 296 2HD LYS 29 1HD LYS 29 -6.850 3.136 4.720 297 1HE LYS 29 2HE LYS 29 -8.364 4.195 3.128 298 2HE LYS 29 1HE LYS 29 -9.772 3.503 3.963 299 1HZ LYS 29 2HZ LYS 29 -8.981 4.616 6.011 300 2HZ LYS 29 1HZ LYS 29 -7.782 5.396 5.096 301 3HZ LYS 29 3HZ LYS 29 -9.419 5.713 4.789 302 QB LYS 29 QB LYS 29 -8.362 1.673 1.950 303 QG LYS 29 QG LYS 29 -7.986 0.896 4.121 304 QD LYS 29 QD LYS 29 -7.523 2.855 5.205 305 QE LYS 29 QE LYS 29 -9.068 3.849 3.545 306 QZ LYS 29 QZ LYS 29 -8.727 5.242 5.299 307 H ILE 30 H ILE 30 -5.254 0.564 3.535 308 HA ILE 30 HA ILE 30 -4.324 2.534 5.412 309 HB ILE 30 HB ILE 30 -3.303 -0.254 4.739 310 1HG1 ILE 30 2HG1 ILE 30 -5.188 0.579 6.958 311 2HG1 ILE 30 1HG1 ILE 30 -5.763 0.023 5.387 312 1HG2 ILE 30 2HG2 ILE 30 -2.743 1.678 6.972 313 2HG2 ILE 30 1HG2 ILE 30 -2.719 -0.055 7.302 314 3HG2 ILE 30 3HG2 ILE 30 -1.624 0.630 6.100 315 1HD1 ILE 30 1HD1 ILE 30 -3.929 -1.923 6.011 316 2HD1 ILE 30 3HD1 ILE 30 -4.568 -1.515 7.604 317 3HD1 ILE 30 2HD1 ILE 30 -5.661 -2.049 6.326 318 QG1 ILE 30 QG1 ILE 30 -5.476 0.301 6.173 319 QG2 ILE 30 QG2 ILE 30 -2.362 0.751 6.791 320 QD1 ILE 30 QD1 ILE 30 -4.719 -1.829 6.647 321 H PHE 31 H PHE 31 -2.811 0.921 2.631 322 HA PHE 31 HA PHE 31 -0.234 2.213 2.899 323 1HB PHE 31 2HB PHE 31 -1.738 0.633 0.827 324 2HB PHE 31 1HB PHE 31 -0.244 1.442 0.364 325 HD1 PHE 31 1HD PHE 31 1.498 1.215 2.645 326 HD2 PHE 31 2HD PHE 31 -1.334 -1.636 1.131 327 HE1 PHE 31 1HE PHE 31 2.812 -0.626 3.660 328 HE2 PHE 31 2HE PHE 31 -0.019 -3.478 2.149 329 1HZ PHE 31 HZ PHE 31 2.054 -2.971 3.413 330 QB PHE 31 QB PHE 31 -0.991 1.037 0.596 331 QG PHE 31 QD PHE 31 0.082 -0.211 1.888 332 QZ PHE 31 QE PHE 31 1.396 -2.052 2.905 333 QZ PHE 31 QR PHE 31 1.002 -1.499 2.600 334 H LYS 32 H LYS 32 -3.178 2.896 1.002 335 HA LYS 32 HA LYS 32 -2.089 5.178 -0.374 336 1HB LYS 32 2HB LYS 32 -4.817 4.018 0.104 337 2HB LYS 32 1HB LYS 32 -4.644 5.582 -0.685 338 1HG LYS 32 2HG LYS 32 -3.027 4.502 -2.293 339 2HG LYS 32 1HG LYS 32 -3.476 2.945 -1.601 340 1HD LYS 32 2HD LYS 32 -4.962 3.090 -3.392 341 2HD LYS 32 1HD LYS 32 -5.932 3.769 -2.084 342 1HE LYS 32 2HE LYS 32 -5.227 6.060 -2.771 343 2HE LYS 32 1HE LYS 32 -4.336 5.350 -4.132 344 1HZ LYS 32 3HZ LYS 32 -7.212 4.840 -3.596 345 2HZ LYS 32 2HZ LYS 32 -6.656 6.019 -4.686 346 3HZ LYS 32 1HZ LYS 32 -6.327 4.376 -4.966 347 QB LYS 32 QB LYS 32 -4.731 4.800 -0.290 348 QG LYS 32 QG LYS 32 -3.251 3.724 -1.947 349 QD LYS 32 QD LYS 32 -5.447 3.430 -2.738 350 QE LYS 32 QE LYS 32 -4.781 5.705 -3.452 351 QZ LYS 32 QZ LYS 32 -6.732 5.078 -4.416 352 H GLN 33 H GLN 33 -2.830 4.786 2.899 353 HA GLN 33 HA GLN 33 -3.643 7.659 3.252 354 1HB GLN 33 2HB GLN 33 -4.821 5.699 4.427 355 2HB GLN 33 1HB GLN 33 -3.311 5.425 5.296 356 1HG GLN 33 2HG GLN 33 -3.452 7.905 5.971 357 2HG GLN 33 1HG GLN 33 -5.125 7.836 5.418 358 1HE2 GLN 33 2HE2 GLN 33 -4.889 6.907 9.091 359 2HE2 GLN 33 1HE2 GLN 33 -4.293 8.230 8.211 360 QB GLN 33 QB GLN 33 -4.066 5.562 4.861 361 QG GLN 33 QG GLN 33 -4.288 7.871 5.694 362 QE2 GLN 33 QE2 GLN 33 -4.591 7.569 8.651 363 H TYR 34 H TYR 34 -1.424 5.134 4.127 364 HA TYR 34 HA TYR 34 0.671 6.249 5.547 365 1HB TYR 34 2HB TYR 34 0.041 3.952 4.323 366 2HB TYR 34 1HB TYR 34 1.123 4.589 3.091 367 HD1 TYR 34 1HD TYR 34 0.932 3.659 6.689 368 HD2 TYR 34 2HD TYR 34 3.480 4.664 3.380 369 HE1 TYR 34 1HE TYR 34 2.916 2.977 8.014 370 HE2 TYR 34 2HE TYR 34 5.467 3.980 4.705 371 HH TYR 34 HH TYR 34 5.241 2.198 7.569 372 QB TYR 34 QB TYR 34 0.582 4.271 3.707 373 QG TYR 34 QD TYR 34 2.206 4.162 5.035 374 QZ TYR 34 QE TYR 34 4.191 3.479 6.359 375 QR TYR 34 QR TYR 34 3.199 3.820 5.697 376 H ALA 35 H ALA 35 0.419 6.126 1.993 377 HA ALA 35 HA ALA 35 2.716 7.698 1.347 378 1HB ALA 35 1HB ALA 35 0.249 6.668 0.037 379 2HB ALA 35 3HB ALA 35 1.007 8.063 -0.747 380 3HB ALA 35 2HB ALA 35 1.935 6.573 -0.503 381 QB ALA 35 QB ALA 35 1.064 7.101 -0.404 382 H ASN 36 H ASN 36 -0.754 8.605 1.442 383 HA ASN 36 HA ASN 36 -0.404 11.390 0.880 384 1HB ASN 36 2HB ASN 36 -2.514 9.645 2.104 385 2HB ASN 36 1HB ASN 36 -2.729 11.395 2.092 386 1HD2 ASN 36 2HD2 ASN 36 -2.699 9.390 -1.501 387 2HD2 ASN 36 1HD2 ASN 36 -1.955 8.679 -0.151 388 QB ASN 36 QB ASN 36 -2.621 10.520 2.098 389 QD2 ASN 36 QD2 ASN 36 -2.327 9.035 -0.826 390 H ASP 37 H ASP 37 -0.842 9.707 4.007 391 HA ASP 37 HA ASP 37 -0.897 11.855 5.780 392 1HB ASP 37 2HB ASP 37 -0.896 9.211 6.024 393 2HB ASP 37 1HB ASP 37 0.805 9.478 6.411 394 QB ASP 37 QB ASP 37 -0.045 9.344 6.217 395 H ASN 38 H ASN 38 1.855 10.568 4.077 396 HA ASN 38 HA ASN 38 3.719 12.354 5.498 397 1HB ASN 38 2HB ASN 38 3.924 9.796 4.658 398 2HB ASN 38 1HB ASN 38 4.564 10.619 3.235 399 1HD2 ASN 38 2HD2 ASN 38 7.281 10.007 5.839 400 2HD2 ASN 38 1HD2 ASN 38 6.102 8.975 5.189 401 QB ASN 38 QB ASN 38 4.244 10.207 3.947 402 QD2 ASN 38 QD2 ASN 38 6.692 9.491 5.514 403 H GLY 39 H GLY 39 2.598 11.633 2.209 404 1HA GLY 39 2HA GLY 39 2.005 13.713 0.840 405 2HA GLY 39 1HA GLY 39 3.609 14.301 1.304 406 QA GLY 39 QA GLY 39 2.807 14.007 1.072 407 H ILE 40 H ILE 40 2.161 11.305 0.000 408 HA ILE 40 HA ILE 40 4.566 11.012 -1.773 409 HB ILE 40 HB ILE 40 2.632 9.115 -0.485 410 1HG1 ILE 40 2HG1 ILE 40 4.794 10.519 0.628 411 2HG1 ILE 40 1HG1 ILE 40 3.959 9.159 1.348 412 1HG2 ILE 40 3HG2 ILE 40 3.508 8.275 -2.652 413 2HG2 ILE 40 2HG2 ILE 40 5.143 8.421 -2.006 414 3HG2 ILE 40 1HG2 ILE 40 4.001 7.292 -1.271 415 1HD1 ILE 40 3HD1 ILE 40 6.329 8.942 -0.508 416 2HD1 ILE 40 2HD1 ILE 40 6.421 8.848 1.257 417 3HD1 ILE 40 1HD1 ILE 40 5.540 7.615 0.346 418 QG1 ILE 40 QG1 ILE 40 4.377 9.839 0.988 419 QG2 ILE 40 QG2 ILE 40 4.218 7.996 -1.977 420 QD1 ILE 40 QD1 ILE 40 6.097 8.468 0.365 421 H ASP 41 H ASP 41 4.162 10.727 -3.967 422 HA ASP 41 HA ASP 41 1.310 10.444 -4.862 423 1HB ASP 41 2HB ASP 41 2.827 12.704 -5.050 424 2HB ASP 41 1HB ASP 41 3.247 11.912 -6.569 425 QB ASP 41 QB ASP 41 3.037 12.308 -5.810 426 H GLY 42 H GLY 42 1.522 9.882 -7.438 427 1HA GLY 42 2HA GLY 42 3.249 8.714 -8.942 428 2HA GLY 42 1HA GLY 42 3.476 7.648 -7.562 429 QA GLY 42 QA GLY 42 3.363 8.181 -8.252 430 H GLU 43 H GLU 43 2.913 6.250 -9.631 431 HA GLU 43 HA GLU 43 0.013 5.963 -10.133 432 1HB GLU 43 2HB GLU 43 2.583 4.657 -11.036 433 2HB GLU 43 1HB GLU 43 1.010 4.015 -11.520 434 1HG GLU 43 2HG GLU 43 1.468 5.484 -13.277 435 2HG GLU 43 1HG GLU 43 0.518 6.508 -12.201 436 QB GLU 43 QB GLU 43 1.797 4.336 -11.278 437 QG GLU 43 QG GLU 43 0.993 5.996 -12.739 438 H TRP 44 H TRP 44 -1.248 4.690 -8.809 439 HA TRP 44 HA TRP 44 0.008 2.813 -6.884 440 1HB TRP 44 2HB TRP 44 -2.679 4.065 -7.375 441 2HB TRP 44 1HB TRP 44 -2.587 2.600 -6.387 442 HD1 TRP 44 HD TRP 44 -1.495 6.256 -6.427 443 HE1 TRP 44 1HE TRP 44 -0.647 6.873 -4.069 444 HE3 TRP 44 3HE TRP 44 -1.579 1.649 -4.263 445 HZ2 TRP 44 2HZ TRP 44 -0.074 5.565 -1.585 446 HZ3 TRP 44 3HZ TRP 44 -0.871 1.354 -1.900 447 HH2 TRP 44 HH TRP 44 -0.117 3.304 -0.568 448 QB TRP 44 QB TRP 44 -2.633 3.333 -6.881 449 H THR 45 H THR 45 0.177 0.682 -7.266 450 HA THR 45 HA THR 45 -1.720 -0.636 -9.157 451 HB THR 45 HB THR 45 0.070 -1.615 -10.402 452 HG1 THR 45 1HG THR 45 1.580 -2.179 -9.002 453 1HG2 THR 45 1HG2 THR 45 -0.338 0.777 -10.929 454 2HG2 THR 45 3HG2 THR 45 0.932 1.218 -9.785 455 3HG2 THR 45 2HG2 THR 45 1.333 0.301 -11.240 456 QG2 THR 45 QG2 THR 45 0.643 0.766 -10.651 457 H TYR 46 H TYR 46 -2.388 -2.564 -8.338 458 HA TYR 46 HA TYR 46 -1.123 -3.529 -5.823 459 1HB TYR 46 2HB TYR 46 -3.501 -3.167 -5.747 460 2HB TYR 46 1HB TYR 46 -3.748 -4.050 -7.256 461 HD1 TYR 46 2HD TYR 46 -1.936 -4.701 -4.033 462 HD2 TYR 46 1HD TYR 46 -4.738 -6.141 -6.949 463 HE1 TYR 46 2HE TYR 46 -2.161 -6.814 -2.768 464 HE2 TYR 46 1HE TYR 46 -4.958 -8.264 -5.687 465 HH TYR 46 HH TYR 46 -4.539 -8.838 -2.975 466 QB TYR 46 QB TYR 46 -3.625 -3.609 -6.501 467 QG TYR 46 QD TYR 46 -3.337 -5.421 -5.491 468 QZ TYR 46 QE TYR 46 -3.559 -7.539 -4.228 469 QR TYR 46 QR TYR 46 -3.448 -6.480 -4.860 470 H ASP 47 H ASP 47 -0.214 -5.602 -5.684 471 HA ASP 47 HA ASP 47 0.108 -7.091 -8.269 472 1HB ASP 47 2HB ASP 47 1.865 -6.925 -5.795 473 2HB ASP 47 1HB ASP 47 2.239 -7.861 -7.240 474 QB ASP 47 QB ASP 47 2.052 -7.393 -6.518 475 H ASP 48 H ASP 48 -1.615 -8.553 -8.085 476 HA ASP 48 HA ASP 48 -2.373 -9.878 -5.632 477 1HB ASP 48 2HB ASP 48 -3.794 -9.442 -7.658 478 2HB ASP 48 1HB ASP 48 -2.876 -10.685 -8.510 479 QB ASP 48 QB ASP 48 -3.335 -10.063 -8.084 480 H ALA 49 H ALA 49 0.371 -10.357 -7.536 481 HA ALA 49 HA ALA 49 0.502 -13.287 -7.197 482 1HB ALA 49 1HB ALA 49 1.249 -12.156 -9.273 483 2HB ALA 49 3HB ALA 49 2.430 -11.237 -8.341 484 3HB ALA 49 2HB ALA 49 2.591 -12.987 -8.489 485 QB ALA 49 QB ALA 49 2.090 -12.127 -8.701 486 H THR 50 H THR 50 1.736 -10.321 -5.756 487 HA THR 50 HA THR 50 3.202 -11.982 -3.736 488 HB THR 50 HB THR 50 4.894 -10.150 -3.738 489 HG1 THR 50 1HG THR 50 4.675 -8.472 -5.075 490 1HG2 THR 50 3HG2 THR 50 4.983 -12.200 -5.262 491 2HG2 THR 50 2HG2 THR 50 4.431 -11.135 -6.554 492 3HG2 THR 50 1HG2 THR 50 5.970 -10.823 -5.751 493 QG2 THR 50 QG2 THR 50 5.128 -11.386 -5.856 494 H LYS 51 H LYS 51 0.536 -10.138 -4.136 495 HA LYS 51 HA LYS 51 -0.775 -8.785 -2.714 496 1HB LYS 51 2HB LYS 51 1.068 -10.095 -0.682 497 2HB LYS 51 1HB LYS 51 -0.477 -9.333 -0.313 498 1HG LYS 51 2HG LYS 51 -0.644 -11.336 -2.466 499 2HG LYS 51 1HG LYS 51 -0.133 -12.007 -0.918 500 1HD LYS 51 2HD LYS 51 -2.113 -10.604 0.060 501 2HD LYS 51 1HD LYS 51 -2.698 -10.593 -1.604 502 1HE LYS 51 2HE LYS 51 -3.323 -12.783 -1.508 503 2HE LYS 51 1HE LYS 51 -1.822 -13.258 -0.688 504 1HZ LYS 51 1HZ LYS 51 -3.992 -11.724 0.634 505 2HZ LYS 51 3HZ LYS 51 -3.866 -13.413 0.722 506 3HZ LYS 51 2HZ LYS 51 -2.635 -12.435 1.368 507 QB LYS 51 QB LYS 51 0.296 -9.714 -0.498 508 QG LYS 51 QG LYS 51 -0.389 -11.671 -1.692 509 QD LYS 51 QD LYS 51 -2.405 -10.598 -0.772 510 QE LYS 51 QE LYS 51 -2.572 -13.020 -1.098 511 QZ LYS 51 QZ LYS 51 -3.498 -12.524 0.908 512 H THR 52 H THR 52 1.381 -7.434 -3.948 513 HA THR 52 HA THR 52 2.172 -5.503 -1.782 514 HB THR 52 HB THR 52 3.789 -6.409 -4.183 515 HG1 THR 52 1HG THR 52 4.029 -8.070 -2.907 516 1HG2 THR 52 2HG2 THR 52 4.214 -4.446 -1.960 517 2HG2 THR 52 1HG2 THR 52 5.602 -5.328 -2.598 518 3HG2 THR 52 3HG2 THR 52 4.637 -4.311 -3.667 519 QG2 THR 52 QG2 THR 52 4.817 -4.695 -2.742 520 H PHE 53 H PHE 53 1.581 -3.419 -2.225 521 HA PHE 53 HA PHE 53 0.449 -2.750 -4.877 522 1HB PHE 53 2HB PHE 53 0.659 -1.337 -2.204 523 2HB PHE 53 1HB PHE 53 -0.151 -0.639 -3.604 524 HD1 PHE 53 1HD PHE 53 -0.167 -3.555 -1.277 525 HD2 PHE 53 2HD PHE 53 -2.369 -1.282 -4.188 526 HE1 PHE 53 1HE PHE 53 -2.227 -4.815 -0.700 527 HE2 PHE 53 2HE PHE 53 -4.421 -2.543 -3.610 528 1HZ PHE 53 HZ PHE 53 -4.353 -4.307 -1.869 529 QB PHE 53 QB PHE 53 0.254 -0.988 -2.904 530 QG PHE 53 QD PHE 53 -1.268 -2.419 -2.732 531 QZ PHE 53 QE PHE 53 -3.324 -3.679 -2.155 532 QZ PHE 53 QR PHE 53 -2.707 -3.300 -2.329 533 H THR 54 H THR 54 1.174 -0.157 -5.433 534 HA THR 54 HA THR 54 4.011 0.316 -4.869 535 HB THR 54 HB THR 54 3.105 -0.384 -7.681 536 HG1 THR 54 1HG THR 54 4.536 -1.861 -5.738 537 1HG2 THR 54 3HG2 THR 54 5.152 1.219 -6.998 538 2HG2 THR 54 2HG2 THR 54 5.957 -0.343 -6.850 539 3HG2 THR 54 1HG2 THR 54 5.224 0.129 -8.382 540 QG2 THR 54 QG2 THR 54 5.444 0.335 -7.410 541 H VAL 55 H VAL 55 4.150 2.493 -4.782 542 HA VAL 55 HA VAL 55 2.331 4.109 -6.539 543 HB VAL 55 HB VAL 55 1.563 4.442 -4.329 544 1HG1 VAL 55 2HG1 VAL 55 4.446 4.585 -3.399 545 2HG1 VAL 55 1HG1 VAL 55 3.019 4.803 -2.371 546 3HG1 VAL 55 3HG1 VAL 55 3.318 3.238 -3.147 547 1HG2 VAL 55 3HG2 VAL 55 3.627 6.608 -4.808 548 2HG2 VAL 55 2HG2 VAL 55 1.947 6.614 -5.349 549 3HG2 VAL 55 1HG2 VAL 55 2.319 6.711 -3.624 550 QG1 VAL 55 QG1 VAL 55 3.594 4.208 -2.973 551 QG2 VAL 55 QG2 VAL 55 2.631 6.644 -4.594 552 QQG VAL 55 QQG VAL 55 3.113 5.426 -3.783 553 H THR 56 H THR 56 3.820 4.310 -8.219 554 HA THR 56 HA THR 56 6.583 5.138 -7.704 555 HB THR 56 HB THR 56 5.034 3.800 -9.707 556 HG1 THR 56 1HG THR 56 6.894 2.920 -9.273 557 1HG2 THR 56 1HG2 THR 56 6.553 6.169 -10.822 558 2HG2 THR 56 3HG2 THR 56 6.040 4.777 -11.778 559 3HG2 THR 56 2HG2 THR 56 4.828 5.820 -11.022 560 QG2 THR 56 QG2 THR 56 5.807 5.589 -11.208 561 H GLU 57 H GLU 57 6.560 7.210 -6.821 562 HA GLU 57 HA GLU 57 4.902 9.400 -7.555 563 1HB GLU 57 2HB GLU 57 6.578 9.018 -5.602 564 2HB GLU 57 1HB GLU 57 7.795 9.650 -6.712 565 1HG GLU 57 2HG GLU 57 5.946 11.553 -7.050 566 2HG GLU 57 1HG GLU 57 5.497 11.050 -5.420 567 QB GLU 57 QB GLU 57 7.187 9.334 -6.157 568 QG GLU 57 QG GLU 57 5.722 11.301 -6.235 No H/Q in entry = 568
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