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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 | bmrb_id | cing | stage | position | program | type |
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4268 |
1f22 ![]() ![]() |
4743 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 1H ALA 1 8.998 3.884 -5.533 2 2H ALA 1 2H ALA 1 9.730 5.350 -5.268 3 3H ALA 1 3H ALA 1 8.268 5.300 -5.998 4 HA ALA 1 HA ALA 1 10.082 5.808 -7.469 5 1HB ALA 1 1HB ALA 1 11.704 4.011 -8.034 6 2HB ALA 1 2HB ALA 1 11.844 4.570 -6.358 7 3HB ALA 1 3HB ALA 1 11.057 3.020 -6.704 8 H ASP 2 H ASP 2 9.906 2.374 -8.346 9 HA ASP 2 HA ASP 2 7.361 2.769 -9.653 10 1HB ASP 2 1HB ASP 2 8.384 1.084 -11.308 11 2HB ASP 2 2HB ASP 2 9.162 2.685 -11.297 12 H VAL 3 H VAL 3 9.571 0.389 -8.175 13 HA VAL 3 HA VAL 3 7.238 -0.635 -6.656 14 HB VAL 3 HB VAL 3 8.220 -2.964 -6.810 15 1HG1 VAL 3 1HG1 VAL 3 6.136 -2.296 -7.979 16 2HG1 VAL 3 2HG1 VAL 3 7.089 -1.877 -9.420 17 3HG1 VAL 3 3HG1 VAL 3 7.037 -3.552 -8.843 18 1HG2 VAL 3 1HG2 VAL 3 9.611 -1.889 -9.313 19 2HG2 VAL 3 2HG2 VAL 3 10.432 -2.376 -7.816 20 3HG2 VAL 3 3HG2 VAL 3 9.547 -3.574 -8.774 21 H VAL 4 H VAL 4 7.773 -1.167 -4.526 22 HA VAL 4 HA VAL 4 10.613 -1.215 -3.711 23 HB VAL 4 HB VAL 4 8.490 0.582 -2.532 24 1HG1 VAL 4 1HG1 VAL 4 10.193 1.104 -0.735 25 2HG1 VAL 4 2HG1 VAL 4 9.584 -0.542 -0.609 26 3HG1 VAL 4 3HG1 VAL 4 11.179 -0.244 -1.324 27 1HG2 VAL 4 1HG2 VAL 4 10.223 2.320 -2.744 28 2HG2 VAL 4 2HG2 VAL 4 11.297 1.137 -3.524 29 3HG2 VAL 4 3HG2 VAL 4 9.776 1.629 -4.311 30 H THR 5 H THR 5 10.733 -2.304 -1.575 31 HA THR 5 HA THR 5 8.214 -3.447 -0.765 32 HB THR 5 HB THR 5 9.352 -5.367 -1.831 33 HG1 THR 5 HG1 THR 5 8.385 -5.250 0.461 34 1HG2 THR 5 1HG2 THR 5 11.464 -6.264 -1.001 35 2HG2 THR 5 2HG2 THR 5 11.722 -4.626 -1.629 36 3HG2 THR 5 3HG2 THR 5 11.650 -4.910 0.125 37 H TYR 6 H TYR 6 7.760 -3.388 1.293 38 HA TYR 6 HA TYR 6 9.742 -2.286 3.210 39 1HB TYR 6 1HB TYR 6 6.816 -2.998 3.536 40 2HB TYR 6 2HB TYR 6 7.884 -2.453 4.829 41 HD1 TYR 6 HD1 TYR 6 5.320 -1.310 2.873 42 HD2 TYR 6 HD2 TYR 6 9.363 -0.206 3.906 43 HE1 TYR 6 HE1 TYR 6 4.896 1.008 2.144 44 HE2 TYR 6 HE2 TYR 6 8.934 2.077 3.112 45 HH TYR 6 HH TYR 6 7.353 3.586 2.470 46 H GLU 7 H GLU 7 11.215 -3.851 3.572 47 HA GLU 7 HA GLU 7 10.456 -6.610 3.833 48 1HB GLU 7 1HB GLU 7 12.788 -6.896 4.722 49 2HB GLU 7 2HB GLU 7 12.679 -6.226 3.089 50 1HG GLU 7 1HG GLU 7 13.165 -3.967 3.938 51 2HG GLU 7 2HG GLU 7 13.176 -4.577 5.603 52 H ASN 8 H ASN 8 9.905 -7.756 5.649 53 HA ASN 8 HA ASN 8 10.282 -6.654 8.313 54 1HB ASN 8 1HB ASN 8 7.787 -6.953 8.843 55 2HB ASN 8 2HB ASN 8 8.267 -5.529 7.915 56 1HD2 ASN 8 1HD2 ASN 8 6.694 -5.087 6.546 57 2HD2 ASN 8 2HD2 ASN 8 5.918 -6.209 5.422 58 H LYS 9 H LYS 9 9.921 -8.226 9.929 59 HA LYS 9 HA LYS 9 10.905 -10.754 9.263 60 1HB LYS 9 1HB LYS 9 11.019 -9.634 11.495 61 2HB LYS 9 2HB LYS 9 9.309 -9.985 11.756 62 1HG LYS 9 1HG LYS 9 10.746 -12.424 10.958 63 2HG LYS 9 2HG LYS 9 11.601 -11.616 12.265 64 1HD LYS 9 1HD LYS 9 10.141 -13.188 13.255 65 2HD LYS 9 2HD LYS 9 9.490 -11.579 13.614 66 1HE LYS 9 1HE LYS 9 7.779 -11.849 11.848 67 2HE LYS 9 2HE LYS 9 8.509 -13.387 11.335 68 1HZ LYS 9 1HZ LYS 9 7.224 -12.866 13.928 69 2HZ LYS 9 2HZ LYS 9 6.591 -13.722 12.676 70 3HZ LYS 9 3HZ LYS 9 7.910 -14.296 13.468 71 H LYS 10 H LYS 10 7.595 -9.659 9.779 72 HA LYS 10 HA LYS 10 5.912 -11.925 9.537 73 1HB LYS 10 1HB LYS 10 4.852 -10.003 9.896 74 2HB LYS 10 2HB LYS 10 5.826 -9.055 8.777 75 1HG LYS 10 1HG LYS 10 3.477 -9.436 8.058 76 2HG LYS 10 2HG LYS 10 4.755 -9.823 6.916 77 1HD LYS 10 1HD LYS 10 3.971 -11.949 6.642 78 2HD LYS 10 2HD LYS 10 4.243 -12.286 8.342 79 1HE LYS 10 1HE LYS 10 2.201 -12.820 8.230 80 2HE LYS 10 2HE LYS 10 2.113 -11.178 8.871 81 1HZ LYS 10 1HZ LYS 10 1.559 -10.433 6.593 82 2HZ LYS 10 2HZ LYS 10 1.782 -11.968 6.003 83 3HZ LYS 10 3HZ LYS 10 0.500 -11.639 6.987 84 H GLY 11 H GLY 11 7.251 -9.978 6.765 85 1HA GLY 11 1HA GLY 11 7.399 -12.021 4.793 86 2HA GLY 11 2HA GLY 11 5.691 -11.604 5.144 87 H ASN 12 H ASN 12 8.666 -10.367 3.972 88 HA ASN 12 HA ASN 12 8.409 -7.721 3.745 89 1HB ASN 12 1HB ASN 12 9.162 -9.180 1.176 90 2HB ASN 12 2HB ASN 12 9.975 -7.807 1.911 91 1HD2 ASN 12 1HD2 ASN 12 11.386 -8.349 3.893 92 2HD2 ASN 12 2HD2 ASN 12 11.913 -9.996 4.114 93 H VAL 13 H VAL 13 7.021 -6.249 2.933 94 HA VAL 13 HA VAL 13 4.770 -7.174 1.200 95 HB VAL 13 HB VAL 13 5.286 -4.566 2.696 96 1HG1 VAL 13 1HG1 VAL 13 3.099 -5.435 0.763 97 2HG1 VAL 13 2HG1 VAL 13 2.811 -4.212 2.003 98 3HG1 VAL 13 3HG1 VAL 13 4.047 -3.927 0.770 99 1HG2 VAL 13 1HG2 VAL 13 3.155 -6.687 3.109 100 2HG2 VAL 13 2HG2 VAL 13 4.687 -6.597 4.015 101 3HG2 VAL 13 3HG2 VAL 13 3.523 -5.283 4.136 102 H THR 14 H THR 14 5.298 -7.138 -0.922 103 HA THR 14 HA THR 14 7.064 -5.013 -2.027 104 HB THR 14 HB THR 14 5.590 -7.304 -3.384 105 HG1 THR 14 HG1 THR 14 7.430 -7.729 -1.902 106 1HG2 THR 14 1HG2 THR 14 7.697 -5.336 -4.406 107 2HG2 THR 14 2HG2 THR 14 7.101 -6.756 -5.289 108 3HG2 THR 14 3HG2 THR 14 6.000 -5.415 -4.931 109 H PHE 15 H PHE 15 6.111 -3.108 -2.680 110 HA PHE 15 HA PHE 15 3.142 -3.134 -3.075 111 1HB PHE 15 1HB PHE 15 3.031 -0.896 -2.183 112 2HB PHE 15 2HB PHE 15 3.520 -2.086 -0.982 113 HD1 PHE 15 HD1 PHE 15 4.514 0.948 -2.755 114 HD2 PHE 15 HD2 PHE 15 5.838 -2.225 -0.146 115 HE1 PHE 15 HE1 PHE 15 6.309 2.415 -1.866 116 HE2 PHE 15 HE2 PHE 15 7.647 -0.753 0.703 117 HZ PHE 15 HZ PHE 15 7.828 1.556 -0.069 118 H ASP 16 H ASP 16 2.719 -2.877 -5.113 119 HA ASP 16 HA ASP 16 3.831 -1.649 -7.237 120 1HB ASP 16 1HB ASP 16 1.103 -1.294 -5.934 121 2HB ASP 16 2HB ASP 16 1.468 -0.859 -7.605 122 H HIS 17 H HIS 17 4.656 0.372 -7.646 123 HA HIS 17 HA HIS 17 3.475 2.699 -6.168 124 1HB HIS 17 1HB HIS 17 5.817 2.251 -5.507 125 2HB HIS 17 2HB HIS 17 6.336 2.433 -7.177 126 HD1 HIS 17 HND HIS 17 6.414 4.923 -8.176 127 HD2 HIS 17 HD HIS 17 4.892 4.488 -4.279 128 HE1 HIS 17 HE HIS 17 6.068 7.266 -7.257 129 H LYS 18 H LYS 18 5.332 1.931 -9.104 130 HA LYS 18 HA LYS 18 4.396 3.846 -10.857 131 1HB LYS 18 1HB LYS 18 6.263 2.207 -11.200 132 2HB LYS 18 2HB LYS 18 5.152 0.925 -11.535 133 1HG LYS 18 1HG LYS 18 4.384 2.281 -13.518 134 2HG LYS 18 2HG LYS 18 5.421 3.581 -12.877 135 1HD LYS 18 1HD LYS 18 7.415 1.979 -13.105 136 2HD LYS 18 2HD LYS 18 6.318 0.848 -13.900 137 1HE LYS 18 1HE LYS 18 7.504 1.980 -15.637 138 2HE LYS 18 2HE LYS 18 5.865 2.652 -15.650 139 1HZ LYS 18 1HZ LYS 18 8.238 3.879 -14.383 140 2HZ LYS 18 2HZ LYS 18 7.563 4.351 -15.806 141 3HZ LYS 18 3HZ LYS 18 6.729 4.536 -14.402 142 H ALA 19 H ALA 19 3.348 0.499 -10.847 143 HA ALA 19 HA ALA 19 1.067 0.455 -12.370 144 1HB ALA 19 1HB ALA 19 1.981 -1.531 -11.333 145 2HB ALA 19 2HB ALA 19 1.618 -0.864 -9.727 146 3HB ALA 19 3HB ALA 19 0.286 -1.351 -10.801 147 H HIS 20 H HIS 20 1.024 1.057 -8.788 148 HA HIS 20 HA HIS 20 -1.776 1.658 -8.717 149 1HB HIS 20 1HB HIS 20 0.563 2.110 -6.835 150 2HB HIS 20 2HB HIS 20 -1.007 2.824 -6.506 151 HD1 HIS 20 HND HIS 20 -0.755 -0.645 -8.063 152 HD2 HIS 20 HD HIS 20 -1.740 1.235 -4.437 153 HE1 HIS 20 HE HIS 20 -1.911 -2.374 -6.633 154 H ALA 21 H ALA 21 1.100 3.588 -9.373 155 HA ALA 21 HA ALA 21 -0.236 6.142 -9.222 156 1HB ALA 21 1HB ALA 21 2.244 5.789 -9.188 157 2HB ALA 21 2HB ALA 21 2.197 5.503 -10.927 158 3HB ALA 21 3HB ALA 21 1.668 7.064 -10.292 159 H GLU 22 H GLU 22 0.361 3.946 -11.988 160 HA GLU 22 HA GLU 22 -0.939 5.739 -13.870 161 1HB GLU 22 1HB GLU 22 -0.890 3.858 -15.471 162 2HB GLU 22 2HB GLU 22 0.694 4.335 -14.848 163 1HG GLU 22 1HG GLU 22 0.856 2.378 -13.510 164 2HG GLU 22 2HG GLU 22 -0.846 1.945 -13.770 165 H LYS 23 H LYS 23 -2.018 2.778 -12.151 166 HA LYS 23 HA LYS 23 -4.561 2.708 -13.515 167 1HB LYS 23 1HB LYS 23 -3.827 1.528 -10.804 168 2HB LYS 23 2HB LYS 23 -5.217 1.111 -11.805 169 1HG LYS 23 1HG LYS 23 -2.296 0.520 -12.360 170 2HG LYS 23 2HG LYS 23 -3.593 -0.616 -12.003 171 1HD LYS 23 1HD LYS 23 -4.650 0.087 -14.215 172 2HD LYS 23 2HD LYS 23 -3.184 1.067 -14.502 173 1HE LYS 23 1HE LYS 23 -1.933 -1.218 -13.884 174 2HE LYS 23 2HE LYS 23 -3.476 -1.953 -14.333 175 1HZ LYS 23 1HZ LYS 23 -1.937 -1.809 -16.177 176 2HZ LYS 23 2HZ LYS 23 -3.189 -0.777 -16.495 177 3HZ LYS 23 3HZ LYS 23 -1.734 -0.203 -15.965 178 H LEU 24 H LEU 24 -3.456 4.094 -10.392 179 HA LEU 24 HA LEU 24 -6.235 4.852 -9.758 180 1HB LEU 24 1HB LEU 24 -3.823 5.246 -8.007 181 2HB LEU 24 2HB LEU 24 -5.519 5.112 -7.552 182 HG LEU 24 HG LEU 24 -3.923 2.786 -8.756 183 1HD1 LEU 24 1HD1 LEU 24 -4.551 3.183 -5.836 184 2HD1 LEU 24 2HD1 LEU 24 -3.615 1.902 -6.605 185 3HD1 LEU 24 3HD1 LEU 24 -3.015 3.579 -6.580 186 1HD2 LEU 24 1HD2 LEU 24 -6.642 2.878 -7.448 187 2HD2 LEU 24 2HD2 LEU 24 -6.266 2.500 -9.140 188 3HD2 LEU 24 3HD2 LEU 24 -5.715 1.415 -7.850 189 H GLY 25 H GLY 25 -2.956 6.477 -10.108 190 1HA GLY 25 1HA GLY 25 -3.331 8.479 -11.595 191 2HA GLY 25 2HA GLY 25 -4.323 9.116 -10.267 192 H CYS 26 H CYS 26 -3.348 9.203 -8.153 193 HA CYS 26 HA CYS 26 -0.606 9.023 -7.511 194 1HB CYS 26 1HB CYS 26 -0.669 11.019 -9.398 195 2HB CYS 26 2HB CYS 26 -1.168 11.949 -8.008 196 H ASP 27 H ASP 27 -3.364 10.983 -7.409 197 HA ASP 27 HA ASP 27 -3.728 12.238 -4.962 198 1HB ASP 27 1HB ASP 27 -6.106 11.842 -5.530 199 2HB ASP 27 2HB ASP 27 -5.191 12.461 -6.906 200 H ALA 28 H ALA 28 -4.364 8.961 -6.003 201 HA ALA 28 HA ALA 28 -5.427 7.523 -4.045 202 1HB ALA 28 1HB ALA 28 -3.731 5.704 -4.641 203 2HB ALA 28 2HB ALA 28 -4.506 6.516 -6.025 204 3HB ALA 28 3HB ALA 28 -2.850 6.939 -5.554 205 H CYS 29 H CYS 29 -2.050 8.623 -3.931 206 HA CYS 29 HA CYS 29 -1.910 7.980 -0.997 207 1HB CYS 29 1HB CYS 29 0.251 7.578 -3.028 208 2HB CYS 29 2HB CYS 29 0.283 7.085 -1.323 209 H HIS 30 H HIS 30 -0.980 10.228 -3.619 210 HA HIS 30 HA HIS 30 0.263 12.024 -1.578 211 1HB HIS 30 1HB HIS 30 1.114 11.664 -4.463 212 2HB HIS 30 2HB HIS 30 1.826 12.759 -3.295 213 HD1 HIS 30 HND HIS 30 3.454 11.564 -1.463 214 HD2 HIS 30 HD HIS 30 2.088 9.345 -4.714 215 HE1 HIS 30 HE HIS 30 5.194 9.635 -1.908 216 H GLU 31 H GLU 31 -1.007 13.777 -1.456 217 HA GLU 31 HA GLU 31 -2.934 14.455 -3.558 218 1HB GLU 31 1HB GLU 31 -2.175 16.132 -1.080 219 2HB GLU 31 2HB GLU 31 -3.600 16.257 -2.120 220 1HG GLU 31 1HG GLU 31 -4.062 13.874 -1.524 221 2HG GLU 31 2HG GLU 31 -2.841 13.974 -0.248 222 H GLY 32 H GLY 32 -0.398 16.210 -1.975 223 1HA GLY 32 1HA GLY 32 0.053 18.029 -4.301 224 2HA GLY 32 2HA GLY 32 0.575 18.278 -2.627 225 H THR 33 H THR 33 2.721 18.573 -3.057 226 HA THR 33 HA THR 33 4.189 17.079 -4.960 227 HB THR 33 HB THR 33 4.780 19.332 -4.274 228 HG1 THR 33 HG1 THR 33 7.062 18.857 -4.148 229 1HG2 THR 33 1HG2 THR 33 5.997 18.155 -1.741 230 2HG2 THR 33 2HG2 THR 33 5.991 19.846 -2.259 231 3HG2 THR 33 3HG2 THR 33 4.476 19.070 -1.768 232 HA PRO 34 HA PRO 34 4.969 13.533 -2.188 233 1HB PRO 34 1HB PRO 34 6.129 11.842 -3.857 234 2HB PRO 34 2HB PRO 34 4.397 12.240 -4.003 235 1HG PRO 34 1HG PRO 34 6.609 13.397 -5.664 236 2HG PRO 34 2HG PRO 34 4.991 12.786 -6.167 237 1HD PRO 34 1HD PRO 34 5.592 15.458 -5.722 238 2HD PRO 34 2HD PRO 34 3.953 14.757 -5.538 239 H ALA 35 H ALA 35 7.078 12.191 -1.852 240 HA ALA 35 HA ALA 35 9.641 13.420 -2.205 241 1HB ALA 35 1HB ALA 35 8.259 13.954 0.467 242 2HB ALA 35 2HB ALA 35 9.982 14.222 0.130 243 3HB ALA 35 3HB ALA 35 8.760 15.182 -0.714 244 H LYS 36 H LYS 36 7.490 11.386 -0.305 245 HA LYS 36 HA LYS 36 8.620 8.955 -0.287 246 1HB LYS 36 1HB LYS 36 9.732 8.751 1.893 247 2HB LYS 36 2HB LYS 36 10.653 9.728 0.794 248 1HG LYS 36 1HG LYS 36 10.853 11.104 2.571 249 2HG LYS 36 2HG LYS 36 9.346 11.760 1.983 250 1HD LYS 36 1HD LYS 36 9.139 11.521 4.328 251 2HD LYS 36 2HD LYS 36 8.100 10.294 3.618 252 1HE LYS 36 1HE LYS 36 9.949 8.582 4.041 253 2HE LYS 36 2HE LYS 36 10.896 9.867 4.800 254 1HZ LYS 36 1HZ LYS 36 9.141 10.061 6.449 255 2HZ LYS 36 2HZ LYS 36 8.253 8.894 5.700 256 3HZ LYS 36 3HZ LYS 36 9.696 8.514 6.381 257 H ILE 37 H ILE 37 7.646 7.734 1.766 258 HA ILE 37 HA ILE 37 5.724 9.425 3.230 259 HB ILE 37 HB ILE 37 4.810 6.674 2.359 260 1HG1 ILE 37 1HG1 ILE 37 4.218 9.344 1.037 261 2HG1 ILE 37 2HG1 ILE 37 5.022 7.918 0.346 262 1HG2 ILE 37 1HG2 ILE 37 3.872 7.710 4.446 263 2HG2 ILE 37 2HG2 ILE 37 3.350 9.109 3.487 264 3HG2 ILE 37 3HG2 ILE 37 2.652 7.509 3.189 265 1HD1 ILE 37 1HD1 ILE 37 2.781 7.976 -0.509 266 2HD1 ILE 37 2HD1 ILE 37 2.826 6.664 0.686 267 3HD1 ILE 37 3HD1 ILE 37 2.086 8.227 1.095 268 H ALA 38 H ALA 38 6.897 6.151 2.952 269 HA ALA 38 HA ALA 38 7.736 4.617 4.403 270 1HB ALA 38 1HB ALA 38 9.162 6.372 5.305 271 2HB ALA 38 2HB ALA 38 7.930 6.705 6.568 272 3HB ALA 38 3HB ALA 38 8.692 5.111 6.478 273 H ILE 39 H ILE 39 5.721 3.715 4.028 274 HA ILE 39 HA ILE 39 3.592 4.084 6.039 275 HB ILE 39 HB ILE 39 3.876 2.556 3.443 276 1HG1 ILE 39 1HG1 ILE 39 3.458 4.896 3.139 277 2HG1 ILE 39 2HG1 ILE 39 2.014 3.967 2.750 278 1HG2 ILE 39 1HG2 ILE 39 1.437 1.950 3.761 279 2HG2 ILE 39 2HG2 ILE 39 2.634 1.049 4.688 280 3HG2 ILE 39 3HG2 ILE 39 1.671 2.318 5.487 281 1HD1 ILE 39 1HD1 ILE 39 2.491 5.768 5.141 282 2HD1 ILE 39 2HD1 ILE 39 1.196 5.825 3.937 283 3HD1 ILE 39 3HD1 ILE 39 1.214 4.539 5.154 284 H ASP 40 H ASP 40 3.828 3.169 7.832 285 HA ASP 40 HA ASP 40 5.450 0.693 8.277 286 1HB ASP 40 1HB ASP 40 4.040 2.511 10.258 287 2HB ASP 40 2HB ASP 40 5.070 1.135 10.666 288 H LYS 41 H LYS 41 4.398 -0.976 9.515 289 HA LYS 41 HA LYS 41 2.073 -2.020 8.903 290 1HB LYS 41 1HB LYS 41 2.090 -3.267 10.906 291 2HB LYS 41 2HB LYS 41 3.742 -2.928 10.412 292 1HG LYS 41 1HG LYS 41 3.795 -1.045 12.148 293 2HG LYS 41 2HG LYS 41 2.264 -1.745 12.766 294 1HD LYS 41 1HD LYS 41 3.515 -3.997 12.655 295 2HD LYS 41 2HD LYS 41 5.003 -3.060 12.486 296 1HE LYS 41 1HE LYS 41 5.133 -2.654 14.685 297 2HE LYS 41 2HE LYS 41 3.424 -2.187 14.830 298 1HZ LYS 41 1HZ LYS 41 4.411 -4.951 14.583 299 2HZ LYS 41 2HZ LYS 41 4.036 -4.261 16.038 300 3HZ LYS 41 3HZ LYS 41 2.866 -4.517 14.897 301 H LYS 42 H LYS 42 2.306 0.387 11.404 302 HA LYS 42 HA LYS 42 -0.339 0.697 12.315 303 1HB LYS 42 1HB LYS 42 1.851 2.745 11.793 304 2HB LYS 42 2HB LYS 42 0.353 3.132 12.638 305 1HG LYS 42 1HG LYS 42 0.855 1.849 14.499 306 2HG LYS 42 2HG LYS 42 2.030 0.825 13.674 307 1HD LYS 42 1HD LYS 42 2.499 3.803 14.052 308 2HD LYS 42 2HD LYS 42 2.937 2.633 15.310 309 1HE LYS 42 1HE LYS 42 4.523 1.496 13.903 310 2HE LYS 42 2HE LYS 42 3.891 2.259 12.451 311 1HZ LYS 42 1HZ LYS 42 5.560 3.554 14.474 312 2HZ LYS 42 2HZ LYS 42 5.836 3.290 12.860 313 3HZ LYS 42 3HZ LYS 42 4.733 4.379 13.295 314 H SER 43 H SER 43 0.958 3.160 10.017 315 HA SER 43 HA SER 43 -1.457 4.015 9.037 316 1HB SER 43 1HB SER 43 1.155 3.840 7.483 317 2HB SER 43 2HB SER 43 -0.140 5.047 7.319 318 HG SER 43 HG SER 43 0.390 5.789 9.384 319 H ALA 44 H ALA 44 0.687 1.509 7.691 320 HA ALA 44 HA ALA 44 -0.464 0.845 5.277 321 1HB ALA 44 1HB ALA 44 1.632 -0.065 6.257 322 2HB ALA 44 2HB ALA 44 0.674 -1.059 7.352 323 3HB ALA 44 3HB ALA 44 0.512 -1.311 5.611 324 H HIS 45 H HIS 45 -1.215 -0.678 8.429 325 HA HIS 45 HA HIS 45 -3.430 -2.203 7.311 326 1HB HIS 45 1HB HIS 45 -2.314 -1.819 10.106 327 2HB HIS 45 2HB HIS 45 -3.759 -2.745 9.793 328 HD1 HIS 45 HND HIS 45 -2.357 -4.718 10.944 329 HD2 HIS 45 HD HIS 45 -1.088 -3.473 7.117 330 HE1 HIS 45 HE HIS 45 -0.902 -6.571 9.999 331 H LYS 46 H LYS 46 -3.095 0.990 8.622 332 HA LYS 46 HA LYS 46 -5.815 1.064 9.746 333 1HB LYS 46 1HB LYS 46 -3.868 1.662 11.046 334 2HB LYS 46 2HB LYS 46 -3.444 2.958 9.926 335 1HG LYS 46 1HG LYS 46 -6.057 2.870 11.496 336 2HG LYS 46 2HG LYS 46 -4.532 3.520 12.140 337 1HD LYS 46 1HD LYS 46 -4.404 4.988 10.093 338 2HD LYS 46 2HD LYS 46 -6.109 4.547 9.792 339 1HE LYS 46 1HE LYS 46 -6.680 5.509 12.048 340 2HE LYS 46 2HE LYS 46 -4.975 5.966 12.244 341 1HZ LYS 46 1HZ LYS 46 -6.153 7.843 11.419 342 2HZ LYS 46 2HZ LYS 46 -5.216 7.279 10.182 343 3HZ LYS 46 3HZ LYS 46 -6.804 6.983 10.170 344 H ASP 47 H ASP 47 -3.874 3.429 7.788 345 HA ASP 47 HA ASP 47 -6.334 4.061 6.235 346 1HB ASP 47 1HB ASP 47 -5.889 6.464 6.510 347 2HB ASP 47 2HB ASP 47 -6.363 5.654 7.980 348 H ALA 48 H ALA 48 -3.214 3.081 5.796 349 HA ALA 48 HA ALA 48 -2.906 4.738 3.311 350 1HB ALA 48 1HB ALA 48 -0.676 3.745 3.174 351 2HB ALA 48 2HB ALA 48 -0.987 4.649 4.672 352 3HB ALA 48 3HB ALA 48 -0.975 2.881 4.700 353 H CYS 49 H CYS 49 -1.868 1.346 3.561 354 HA CYS 49 HA CYS 49 -2.978 0.760 1.008 355 1HB CYS 49 1HB CYS 49 -2.259 -1.258 3.127 356 2HB CYS 49 2HB CYS 49 -2.240 -1.476 1.381 357 H LYS 50 H LYS 50 -3.990 -0.194 4.282 358 HA LYS 50 HA LYS 50 -6.006 -1.891 3.526 359 1HB LYS 50 1HB LYS 50 -5.020 -1.429 5.854 360 2HB LYS 50 2HB LYS 50 -6.165 -0.092 5.979 361 1HG LYS 50 1HG LYS 50 -7.311 -1.825 7.030 362 2HG LYS 50 2HG LYS 50 -8.006 -1.880 5.436 363 1HD LYS 50 1HD LYS 50 -7.294 -3.975 5.062 364 2HD LYS 50 2HD LYS 50 -5.620 -3.568 5.420 365 1HE LYS 50 1HE LYS 50 -7.766 -4.219 7.495 366 2HE LYS 50 2HE LYS 50 -6.518 -5.339 6.930 367 1HZ LYS 50 1HZ LYS 50 -5.905 -2.768 8.271 368 2HZ LYS 50 2HZ LYS 50 -5.982 -4.224 9.033 369 3HZ LYS 50 3HZ LYS 50 -4.851 -3.961 7.872 370 H THR 51 H THR 51 -6.329 1.691 3.857 371 HA THR 51 HA THR 51 -9.157 1.622 4.116 372 HB THR 51 HB THR 51 -7.865 3.517 4.844 373 HG1 THR 51 HG1 THR 51 -9.308 5.097 3.961 374 1HG2 THR 51 1HG2 THR 51 -6.259 3.750 2.962 375 2HG2 THR 51 2HG2 THR 51 -7.573 4.279 1.893 376 3HG2 THR 51 3HG2 THR 51 -7.111 5.262 3.286 377 H CYS 52 H CYS 52 -7.075 1.858 1.228 378 HA CYS 52 HA CYS 52 -9.332 1.846 -0.655 379 1HB CYS 52 1HB CYS 52 -6.378 1.190 -0.811 380 2HB CYS 52 2HB CYS 52 -7.523 0.811 -2.110 381 H HIS 53 H HIS 53 -6.982 -0.532 0.626 382 HA HIS 53 HA HIS 53 -8.333 -2.775 -0.592 383 1HB HIS 53 1HB HIS 53 -6.036 -2.416 1.353 384 2HB HIS 53 2HB HIS 53 -6.658 -3.993 0.917 385 HD1 HIS 53 HND HIS 53 -4.885 -5.007 -0.354 386 HD2 HIS 53 HD HIS 53 -5.462 -1.014 -1.502 387 HE1 HIS 53 HE HIS 53 -3.388 -4.584 -2.346 388 H LYS 54 H LYS 54 -10.251 -1.413 1.001 389 HA LYS 54 HA LYS 54 -10.777 -2.942 3.438 390 1HB LYS 54 1HB LYS 54 -12.378 -0.962 1.822 391 2HB LYS 54 2HB LYS 54 -13.062 -1.870 3.188 392 1HG LYS 54 1HG LYS 54 -11.362 -1.003 4.722 393 2HG LYS 54 2HG LYS 54 -10.500 -0.287 3.361 394 1HD LYS 54 1HD LYS 54 -11.573 1.476 4.407 395 2HD LYS 54 2HD LYS 54 -12.389 1.173 2.863 396 1HE LYS 54 1HE LYS 54 -14.242 0.022 4.036 397 2HE LYS 54 2HE LYS 54 -13.397 0.192 5.586 398 1HZ LYS 54 1HZ LYS 54 -14.381 2.417 3.923 399 2HZ LYS 54 2HZ LYS 54 -15.084 1.864 5.304 400 3HZ LYS 54 3HZ LYS 54 -13.601 2.573 5.363 401 H SER 55 H SER 55 -12.375 -2.613 0.261 402 HA SER 55 HA SER 55 -13.550 -5.359 0.518 403 1HB SER 55 1HB SER 55 -14.733 -2.923 -0.863 404 2HB SER 55 2HB SER 55 -15.517 -4.478 -0.533 405 HG SER 55 HG SER 55 -16.103 -2.921 1.033 406 H ASN 56 H ASN 56 -11.011 -4.981 -0.640 407 HA ASN 56 HA ASN 56 -11.493 -5.208 -3.591 408 1HB ASN 56 1HB ASN 56 -8.956 -4.617 -2.013 409 2HB ASN 56 2HB ASN 56 -9.006 -4.999 -3.738 410 1HD2 ASN 56 1HD2 ASN 56 -7.834 -2.812 -3.687 411 2HD2 ASN 56 2HD2 ASN 56 -8.878 -1.407 -3.859 412 H ASN 57 H ASN 57 -10.883 -7.079 -4.571 413 HA ASN 57 HA ASN 57 -10.603 -9.314 -4.835 414 1HB ASN 57 1HB ASN 57 -8.627 -9.033 -2.519 415 2HB ASN 57 2HB ASN 57 -8.753 -10.409 -3.600 416 1HD2 ASN 57 1HD2 ASN 57 -7.004 -10.454 -4.911 417 2HD2 ASN 57 2HD2 ASN 57 -6.304 -9.074 -5.711 418 H GLY 58 H GLY 58 -10.406 -11.540 -3.328 419 1HA GLY 58 1HA GLY 58 -12.816 -11.593 -1.637 420 2HA GLY 58 2HA GLY 58 -11.777 -12.948 -2.084 421 HA PRO 59 HA PRO 59 -9.876 -10.640 1.735 422 1HB PRO 59 1HB PRO 59 -11.535 -10.904 3.917 423 2HB PRO 59 2HB PRO 59 -11.547 -9.489 2.824 424 1HG PRO 59 1HG PRO 59 -13.374 -11.899 2.739 425 2HG PRO 59 2HG PRO 59 -13.834 -10.171 2.669 426 1HD PRO 59 1HD PRO 59 -13.601 -11.695 0.436 427 2HD PRO 59 2HD PRO 59 -13.072 -9.984 0.417 428 H THR 60 H THR 60 -8.628 -11.925 3.123 429 HA THR 60 HA THR 60 -9.203 -14.783 3.564 430 HB THR 60 HB THR 60 -7.472 -13.660 1.346 431 HG1 THR 60 HG1 THR 60 -9.694 -14.623 1.234 432 1HG2 THR 60 1HG2 THR 60 -5.783 -15.059 2.255 433 2HG2 THR 60 2HG2 THR 60 -6.957 -16.342 2.671 434 3HG2 THR 60 3HG2 THR 60 -6.562 -15.980 0.977 435 H LYS 61 H LYS 61 -8.950 -12.796 5.394 436 HA LYS 61 HA LYS 61 -7.834 -11.782 7.005 437 1HB LYS 61 1HB LYS 61 -5.989 -14.199 7.058 438 2HB LYS 61 2HB LYS 61 -6.341 -13.043 8.348 439 1HG LYS 61 1HG LYS 61 -8.826 -13.781 8.089 440 2HG LYS 61 2HG LYS 61 -8.191 -15.120 7.101 441 1HD LYS 61 1HD LYS 61 -6.628 -15.661 8.989 442 2HD LYS 61 2HD LYS 61 -7.447 -14.406 9.952 443 1HE LYS 61 1HE LYS 61 -9.612 -15.675 9.689 444 2HE LYS 61 2HE LYS 61 -8.737 -16.940 8.807 445 1HZ LYS 61 1HZ LYS 61 -8.272 -16.164 11.614 446 2HZ LYS 61 2HZ LYS 61 -9.031 -17.525 11.096 447 3HZ LYS 61 3HZ LYS 61 -7.429 -17.320 10.798 448 H CYS 62 H CYS 62 -5.087 -13.300 5.269 449 HA CYS 62 HA CYS 62 -3.793 -10.634 5.087 450 1HB CYS 62 1HB CYS 62 -2.276 -13.187 5.595 451 2HB CYS 62 2HB CYS 62 -1.735 -11.507 5.807 452 H GLY 63 H GLY 63 -1.454 -11.793 3.793 453 1HA GLY 63 1HA GLY 63 -0.735 -12.902 1.889 454 2HA GLY 63 2HA GLY 63 -2.396 -13.394 1.536 455 H GLY 64 H GLY 64 -3.617 -10.890 1.497 456 1HA GLY 64 1HA GLY 64 -3.675 -9.938 -0.988 457 2HA GLY 64 2HA GLY 64 -3.886 -8.888 0.429 458 H CYS 65 H CYS 65 -1.114 -9.023 1.287 459 HA CYS 65 HA CYS 65 0.122 -7.171 -0.722 460 1HB CYS 65 1HB CYS 65 -0.116 -6.677 2.224 461 2HB CYS 65 2HB CYS 65 0.419 -5.534 0.988 462 H HIS 66 H HIS 66 0.630 -8.820 2.447 463 HA HIS 66 HA HIS 66 3.517 -8.995 2.134 464 1HB HIS 66 1HB HIS 66 1.618 -10.718 3.772 465 2HB HIS 66 2HB HIS 66 3.368 -10.675 3.907 466 HD1 HIS 66 HND HIS 66 4.471 -8.512 5.129 467 HD2 HIS 66 HD HIS 66 0.240 -8.690 5.004 468 HE1 HIS 66 HE HIS 66 3.556 -6.796 6.770 469 H ILE 67 H ILE 67 4.583 -10.471 0.838 470 HA ILE 67 HA ILE 67 3.065 -12.755 -0.308 471 HB ILE 67 HB ILE 67 5.994 -12.049 -0.652 472 1HG1 ILE 67 1HG1 ILE 67 4.781 -10.085 -1.363 473 2HG1 ILE 67 2HG1 ILE 67 5.347 -10.963 -2.774 474 1HG2 ILE 67 1HG2 ILE 67 5.469 -14.325 -1.370 475 2HG2 ILE 67 2HG2 ILE 67 4.053 -13.766 -2.267 476 3HG2 ILE 67 3HG2 ILE 67 5.685 -13.312 -2.799 477 1HD1 ILE 67 1HD1 ILE 67 2.486 -10.976 -1.701 478 2HD1 ILE 67 2HD1 ILE 67 3.087 -10.121 -3.123 479 3HD1 ILE 67 3HD1 ILE 67 3.053 -11.889 -3.119 480 H LYS 68 H LYS 68 2.735 -13.050 2.201 481 HA LYS 68 HA LYS 68 3.814 -15.389 3.225 482 1HB LYS 68 1HB LYS 68 5.597 -13.098 3.631 483 2HB LYS 68 2HB LYS 68 4.933 -13.665 5.164 484 1HG LYS 68 1HG LYS 68 6.819 -14.785 5.179 485 2HG LYS 68 2HG LYS 68 5.772 -16.020 4.473 486 1HD LYS 68 1HD LYS 68 6.723 -15.685 2.297 487 2HD LYS 68 2HD LYS 68 7.385 -14.096 2.744 488 1HE LYS 68 1HE LYS 68 8.974 -15.233 4.320 489 2HE LYS 68 2HE LYS 68 8.398 -16.798 3.712 490 1HZ LYS 68 1HZ LYS 68 9.141 -16.102 1.514 491 2HZ LYS 68 2HZ LYS 68 9.677 -14.667 2.114 492 3HZ LYS 68 3HZ LYS 68 10.388 -16.071 2.588 493 HHA HEC 69 HCM HEC 69 8.480 7.483 -1.942 494 HHB HEC 69 HDM HEC 69 6.588 11.074 -6.803 495 HHC HEC 69 HAM HEC 69 1.327 7.404 -7.326 496 HHD HEC 69 HBM HEC 69 2.750 4.838 -1.662 497 1HMA HEC 69 HM81 HEC 69 9.269 10.752 -6.698 498 2HMA HEC 69 HM82 HEC 69 8.487 12.080 -5.802 499 3HMA HEC 69 HM83 HEC 69 9.978 11.357 -5.197 500 1HAA HEC 69 HP71 HEC 69 10.304 10.522 -3.189 501 2HAA HEC 69 HP72 HEC 69 9.933 9.141 -2.179 502 1HBA HEC 69 HP73 HEC 69 11.217 9.021 -4.919 503 2HBA HEC 69 HP74 HEC 69 12.047 8.866 -3.363 504 1HMB HEC 69 HM11 HEC 69 3.842 12.106 -8.715 505 2HMB HEC 69 HM12 HEC 69 5.562 11.777 -8.516 506 3HMB HEC 69 HM13 HEC 69 4.675 10.943 -9.784 507 HAB HEC 69 HT2A HEC 69 1.170 8.947 -8.766 508 1HBB HEC 69 HT21 HEC 69 2.738 9.506 -10.680 509 2HBB HEC 69 HT22 HEC 69 1.094 10.153 -10.726 510 3HBB HEC 69 HT23 HEC 69 2.423 11.218 -10.284 511 1HMC HEC 69 HM31 HEC 69 -0.605 6.645 -6.330 512 2HMC HEC 69 HM32 HEC 69 0.008 5.054 -6.830 513 3HMC HEC 69 HM33 HEC 69 -1.035 5.217 -5.407 514 HAC HEC 69 HT4A HEC 69 0.775 4.405 -2.033 515 1HBC HEC 69 HT41 HEC 69 -0.585 2.665 -2.729 516 2HBC HEC 69 HT42 HEC 69 -0.853 3.355 -4.324 517 3HBC HEC 69 HT43 HEC 69 0.739 2.672 -3.909 518 1HMD HEC 69 HM51 HEC 69 3.684 4.570 0.322 519 2HMD HEC 69 HM52 HEC 69 4.990 3.475 -0.154 520 3HMD HEC 69 HM53 HEC 69 5.252 4.687 1.097 521 1HAD HEC 69 HP61 HEC 69 8.330 6.641 -0.022 522 2HAD HEC 69 HP62 HEC 69 7.142 5.847 0.958 523 1HBD HEC 69 HP63 HEC 69 7.653 3.747 -0.444 524 2HBD HEC 69 HP64 HEC 69 9.054 4.633 -1.058 525 HHA HEC 70 HCM HEC 70 -3.906 -4.972 -6.725 526 HHB HEC 70 HDM HEC 70 0.289 -4.150 -1.947 527 HHC HEC 70 HAM HEC 70 -2.175 1.655 -0.856 528 HHD HEC 70 HBM HEC 70 -6.543 0.675 -5.334 529 1HMA HEC 70 HM81 HEC 70 1.056 -5.787 -3.237 530 2HMA HEC 70 HM82 HEC 70 -0.119 -7.130 -3.268 531 3HMA HEC 70 HM83 HEC 70 0.723 -6.615 -4.749 532 1HAA HEC 70 HP71 HEC 70 -2.269 -6.578 -6.917 533 2HAA HEC 70 HP72 HEC 70 -1.175 -7.448 -5.857 534 1HBA HEC 70 HP73 HEC 70 -2.942 -8.000 -4.315 535 2HBA HEC 70 HP74 HEC 70 -4.084 -6.951 -5.158 536 1HMB HEC 70 HM11 HEC 70 1.521 -1.863 0.714 537 2HMB HEC 70 HM12 HEC 70 0.346 -3.184 0.756 538 3HMB HEC 70 HM13 HEC 70 1.594 -3.141 -0.504 539 HAB HEC 70 HT2A HEC 70 -0.710 1.350 0.565 540 1HBB HEC 70 HT21 HEC 70 1.560 1.726 1.160 541 2HBB HEC 70 HT22 HEC 70 2.087 0.204 0.433 542 3HBB HEC 70 HT23 HEC 70 1.428 1.485 -0.590 543 1HMC HEC 70 HM31 HEC 70 -4.625 4.259 -2.034 544 2HMC HEC 70 HM32 HEC 70 -4.377 3.260 -0.590 545 3HMC HEC 70 HM33 HEC 70 -3.003 3.703 -1.629 546 HAC HEC 70 HT4A HEC 70 -7.339 2.111 -3.947 547 1HBC HEC 70 HT41 HEC 70 -5.573 4.530 -4.170 548 2HBC HEC 70 HT42 HEC 70 -6.569 3.699 -5.404 549 3HBC HEC 70 HT43 HEC 70 -7.345 4.646 -4.143 550 1HMD HEC 70 HM51 HEC 70 -7.028 -0.517 -8.152 551 2HMD HEC 70 HM52 HEC 70 -8.098 -1.817 -7.587 552 3HMD HEC 70 HM53 HEC 70 -7.918 -0.346 -6.626 553 1HAD HEC 70 HP61 HEC 70 -5.625 -4.627 -8.184 554 2HAD HEC 70 HP62 HEC 70 -6.777 -3.390 -8.645 555 1HBD HEC 70 HP63 HEC 70 -4.821 -1.915 -9.302 556 2HBD HEC 70 HP64 HEC 70 -3.776 -3.324 -9.071 557 HHA HEC 71 HCM HEC 71 3.975 -4.011 8.534 558 HHB HEC 71 HDM HEC 71 1.153 -9.359 10.543 559 HHC HEC 71 HAM HEC 71 -3.141 -8.813 5.853 560 HHD HEC 71 HBM HEC 71 0.110 -3.980 3.428 561 1HMA HEC 71 HM81 HEC 71 3.846 -8.592 11.943 562 2HMA HEC 71 HM82 HEC 71 3.121 -7.142 12.700 563 3HMA HEC 71 HM83 HEC 71 2.104 -8.467 12.237 564 1HAA HEC 71 HP71 HEC 71 5.448 -5.492 9.555 565 2HAA HEC 71 HP72 HEC 71 4.876 -4.766 11.031 566 1HBA HEC 71 HP73 HEC 71 5.784 -7.658 10.814 567 2HBA HEC 71 HP74 HEC 71 6.873 -6.312 11.121 568 1HMB HEC 71 HM11 HEC 71 0.081 -11.379 10.289 569 2HMB HEC 71 HM12 HEC 71 -1.280 -10.582 11.107 570 3HMB HEC 71 HM13 HEC 71 -1.564 -11.870 9.920 571 HAB HEC 71 HT2A HEC 71 -3.940 -10.144 7.309 572 1HBB HEC 71 HT21 HEC 71 -4.302 -9.415 9.606 573 2HBB HEC 71 HT22 HEC 71 -5.112 -10.933 9.191 574 3HBB HEC 71 HT23 HEC 71 -3.656 -10.961 10.196 575 1HMC HEC 71 HM31 HEC 71 -4.596 -7.501 4.095 576 2HMC HEC 71 HM32 HEC 71 -3.782 -7.330 2.520 577 3HMC HEC 71 HM33 HEC 71 -3.379 -8.687 3.567 578 HAC HEC 71 HT4A HEC 71 -1.705 -3.987 2.455 579 1HBC HEC 71 HT41 HEC 71 -4.470 -5.180 2.462 580 2HBC HEC 71 HT42 HEC 71 -3.923 -3.797 3.432 581 3HBC HEC 71 HT43 HEC 71 -3.885 -3.705 1.665 582 1HMD HEC 71 HM51 HEC 71 2.143 -1.274 4.061 583 2HMD HEC 71 HM52 HEC 71 3.319 -2.422 3.420 584 3HMD HEC 71 HM53 HEC 71 1.609 -2.561 3.001 585 1HAD HEC 71 HP61 HEC 71 3.800 -1.262 5.606 586 2HAD HEC 71 HP62 HEC 71 3.685 -1.574 7.301 587 1HBD HEC 71 HP63 HEC 71 5.592 -3.157 5.609 588 2HBD HEC 71 HP64 HEC 71 5.975 -1.484 6.057 Start of MODEL 2 1 1H ALA 1 1H ALA 1 10.594 -0.180 -12.315 2 2H ALA 1 2H ALA 1 12.236 0.050 -12.426 3 3H ALA 1 3H ALA 1 11.539 -0.671 -11.119 4 HA ALA 1 HA ALA 1 11.924 1.381 -10.244 5 1HB ALA 1 1HB ALA 1 12.829 2.311 -12.347 6 2HB ALA 1 2HB ALA 1 11.174 2.556 -12.950 7 3HB ALA 1 3HB ALA 1 11.752 3.456 -11.533 8 H ASP 2 H ASP 2 9.532 -0.354 -10.449 9 HA ASP 2 HA ASP 2 7.271 1.523 -10.312 10 1HB ASP 2 1HB ASP 2 6.244 -0.361 -11.800 11 2HB ASP 2 2HB ASP 2 7.494 0.634 -12.573 12 H VAL 3 H VAL 3 8.824 -0.983 -8.644 13 HA VAL 3 HA VAL 3 6.507 -1.357 -6.919 14 HB VAL 3 HB VAL 3 6.290 -3.234 -8.454 15 1HG1 VAL 3 1HG1 VAL 3 8.546 -3.309 -9.441 16 2HG1 VAL 3 2HG1 VAL 3 9.214 -3.904 -7.903 17 3HG1 VAL 3 3HG1 VAL 3 8.068 -4.890 -8.825 18 1HG2 VAL 3 1HG2 VAL 3 7.612 -4.228 -5.890 19 2HG2 VAL 3 2HG2 VAL 3 5.911 -3.749 -6.076 20 3HG2 VAL 3 3HG2 VAL 3 6.534 -5.144 -6.955 21 H VAL 4 H VAL 4 7.249 -1.728 -4.759 22 HA VAL 4 HA VAL 4 10.199 -1.826 -4.288 23 HB VAL 4 HB VAL 4 8.253 0.198 -3.190 24 1HG1 VAL 4 1HG1 VAL 4 11.090 -0.427 -2.210 25 2HG1 VAL 4 2HG1 VAL 4 10.167 1.010 -1.757 26 3HG1 VAL 4 3HG1 VAL 4 9.615 -0.572 -1.240 27 1HG2 VAL 4 1HG2 VAL 4 10.918 0.472 -4.591 28 2HG2 VAL 4 2HG2 VAL 4 9.313 0.848 -5.279 29 3HG2 VAL 4 3HG2 VAL 4 9.947 1.808 -3.934 30 H THR 5 H THR 5 10.641 -2.431 -2.001 31 HA THR 5 HA THR 5 8.299 -3.354 -0.623 32 HB THR 5 HB THR 5 9.260 -5.463 -1.541 33 HG1 THR 5 HG1 THR 5 8.381 -5.036 0.595 34 1HG2 THR 5 1HG2 THR 5 11.755 -4.811 0.110 35 2HG2 THR 5 2HG2 THR 5 11.427 -6.314 -0.765 36 3HG2 THR 5 3HG2 THR 5 11.675 -4.806 -1.666 37 H TYR 6 H TYR 6 8.221 -3.083 1.440 38 HA TYR 6 HA TYR 6 9.966 -1.216 2.751 39 1HB TYR 6 1HB TYR 6 7.725 -2.973 3.801 40 2HB TYR 6 2HB TYR 6 8.492 -1.700 4.717 41 HD1 TYR 6 HD1 TYR 6 8.664 0.583 2.825 42 HD2 TYR 6 HD2 TYR 6 5.477 -2.227 3.529 43 HE1 TYR 6 HE1 TYR 6 7.138 1.959 1.489 44 HE2 TYR 6 HE2 TYR 6 3.944 -0.820 2.198 45 HH TYR 6 HH TYR 6 5.055 1.531 0.121 46 H GLU 7 H GLU 7 9.632 -4.712 2.893 47 HA GLU 7 HA GLU 7 10.742 -6.356 3.896 48 1HB GLU 7 1HB GLU 7 12.854 -5.060 3.484 49 2HB GLU 7 2HB GLU 7 12.727 -4.509 5.172 50 1HG GLU 7 1HG GLU 7 12.564 -7.057 5.761 51 2HG GLU 7 2HG GLU 7 13.141 -7.322 4.106 52 H ASN 8 H ASN 8 10.327 -7.477 5.745 53 HA ASN 8 HA ASN 8 9.527 -6.319 8.284 54 1HB ASN 8 1HB ASN 8 7.436 -7.448 6.335 55 2HB ASN 8 2HB ASN 8 7.222 -7.457 8.080 56 1HD2 ASN 8 1HD2 ASN 8 7.693 -5.294 5.298 57 2HD2 ASN 8 2HD2 ASN 8 7.281 -3.856 6.202 58 H LYS 9 H LYS 9 9.096 -7.988 9.766 59 HA LYS 9 HA LYS 9 10.624 -10.415 9.325 60 1HB LYS 9 1HB LYS 9 9.844 -8.838 11.546 61 2HB LYS 9 2HB LYS 9 8.876 -10.284 11.708 62 1HG LYS 9 1HG LYS 9 10.854 -10.709 12.936 63 2HG LYS 9 2HG LYS 9 10.989 -11.651 11.452 64 1HD LYS 9 1HD LYS 9 13.126 -10.688 11.827 65 2HD LYS 9 2HD LYS 9 12.426 -9.761 10.493 66 1HE LYS 9 1HE LYS 9 11.768 -7.961 12.152 67 2HE LYS 9 2HE LYS 9 12.534 -8.911 13.434 68 1HZ LYS 9 1HZ LYS 9 14.623 -8.661 12.242 69 2HZ LYS 9 2HZ LYS 9 13.883 -7.770 11.070 70 3HZ LYS 9 3HZ LYS 9 13.969 -7.199 12.607 71 H LYS 10 H LYS 10 7.271 -9.489 9.033 72 HA LYS 10 HA LYS 10 6.074 -12.091 9.257 73 1HB LYS 10 1HB LYS 10 5.234 -9.755 7.478 74 2HB LYS 10 2HB LYS 10 4.206 -11.115 7.915 75 1HG LYS 10 1HG LYS 10 5.374 -9.162 9.932 76 2HG LYS 10 2HG LYS 10 3.879 -8.867 9.052 77 1HD LYS 10 1HD LYS 10 3.246 -9.675 11.140 78 2HD LYS 10 2HD LYS 10 2.905 -10.973 9.996 79 1HE LYS 10 1HE LYS 10 4.650 -12.331 10.850 80 2HE LYS 10 2HE LYS 10 5.556 -10.943 11.494 81 1HZ LYS 10 1HZ LYS 10 4.565 -12.256 13.208 82 2HZ LYS 10 2HZ LYS 10 3.920 -10.748 13.212 83 3HZ LYS 10 3HZ LYS 10 3.053 -12.015 12.608 84 H GLY 11 H GLY 11 6.924 -10.227 6.365 85 1HA GLY 11 1HA GLY 11 8.365 -12.165 4.950 86 2HA GLY 11 2HA GLY 11 6.653 -12.400 4.521 87 H ASN 12 H ASN 12 8.568 -9.509 5.380 88 HA ASN 12 HA ASN 12 8.749 -7.372 4.335 89 1HB ASN 12 1HB ASN 12 8.639 -9.108 1.809 90 2HB ASN 12 2HB ASN 12 9.140 -7.435 1.905 91 1HD2 ASN 12 1HD2 ASN 12 10.378 -9.126 4.682 92 2HD2 ASN 12 2HD2 ASN 12 11.983 -9.245 4.002 93 H VAL 13 H VAL 13 7.649 -6.158 2.268 94 HA VAL 13 HA VAL 13 4.825 -6.923 1.944 95 HB VAL 13 HB VAL 13 5.827 -4.228 2.910 96 1HG1 VAL 13 1HG1 VAL 13 3.513 -3.381 2.463 97 2HG1 VAL 13 2HG1 VAL 13 4.363 -3.744 0.989 98 3HG1 VAL 13 3HG1 VAL 13 3.145 -4.887 1.603 99 1HG2 VAL 13 1HG2 VAL 13 4.027 -4.402 4.562 100 2HG2 VAL 13 2HG2 VAL 13 3.570 -5.996 3.925 101 3HG2 VAL 13 3HG2 VAL 13 5.150 -5.737 4.719 102 H THR 14 H THR 14 4.951 -7.227 -0.280 103 HA THR 14 HA THR 14 6.713 -5.439 -1.879 104 HB THR 14 HB THR 14 6.654 -7.789 -2.466 105 HG1 THR 14 HG1 THR 14 5.440 -6.235 -4.490 106 1HG2 THR 14 1HG2 THR 14 4.299 -8.380 -1.909 107 2HG2 THR 14 2HG2 THR 14 3.741 -7.404 -3.283 108 3HG2 THR 14 3HG2 THR 14 4.755 -8.829 -3.561 109 H PHE 15 H PHE 15 5.906 -3.551 -2.771 110 HA PHE 15 HA PHE 15 2.959 -3.325 -3.051 111 1HB PHE 15 1HB PHE 15 2.875 -1.103 -2.254 112 2HB PHE 15 2HB PHE 15 3.508 -2.149 -0.988 113 HD1 PHE 15 HD1 PHE 15 5.966 -2.184 -0.485 114 HD2 PHE 15 HD2 PHE 15 4.152 0.783 -3.045 115 HE1 PHE 15 HE1 PHE 15 7.797 -0.611 0.027 116 HE2 PHE 15 HE2 PHE 15 6.017 2.354 -2.531 117 HZ PHE 15 HZ PHE 15 7.780 1.676 -0.932 118 H ASP 16 H ASP 16 2.546 -3.102 -5.043 119 HA ASP 16 HA ASP 16 4.198 -2.118 -7.149 120 1HB ASP 16 1HB ASP 16 1.288 -2.749 -6.642 121 2HB ASP 16 2HB ASP 16 1.686 -1.691 -7.984 122 H HIS 17 H HIS 17 4.591 -0.053 -7.773 123 HA HIS 17 HA HIS 17 3.431 2.174 -6.156 124 1HB HIS 17 1HB HIS 17 5.908 1.706 -5.961 125 2HB HIS 17 2HB HIS 17 6.096 2.038 -7.659 126 HD1 HIS 17 HND HIS 17 7.428 4.303 -7.561 127 HD2 HIS 17 HD HIS 17 3.994 4.160 -5.132 128 HE1 HIS 17 HE HIS 17 7.054 6.659 -6.663 129 H LYS 18 H LYS 18 4.992 1.765 -9.309 130 HA LYS 18 HA LYS 18 3.755 3.967 -10.631 131 1HB LYS 18 1HB LYS 18 5.795 3.234 -11.430 132 2HB LYS 18 2HB LYS 18 5.333 1.535 -11.357 133 1HG LYS 18 1HG LYS 18 3.878 3.247 -13.332 134 2HG LYS 18 2HG LYS 18 5.564 2.826 -13.603 135 1HD LYS 18 1HD LYS 18 5.287 0.652 -13.987 136 2HD LYS 18 2HD LYS 18 3.984 0.477 -12.833 137 1HE LYS 18 1HE LYS 18 2.482 1.804 -14.413 138 2HE LYS 18 2HE LYS 18 3.749 1.671 -15.638 139 1HZ LYS 18 1HZ LYS 18 3.419 -0.690 -15.638 140 2HZ LYS 18 2HZ LYS 18 2.424 -0.612 -14.311 141 3HZ LYS 18 3HZ LYS 18 1.941 0.072 -15.705 142 H ALA 19 H ALA 19 3.190 0.517 -10.900 143 HA ALA 19 HA ALA 19 0.852 0.335 -12.405 144 1HB ALA 19 1HB ALA 19 1.969 -1.622 -11.554 145 2HB ALA 19 2HB ALA 19 1.659 -1.049 -9.905 146 3HB ALA 19 3HB ALA 19 0.302 -1.627 -10.903 147 H HIS 20 H HIS 20 0.872 0.769 -8.789 148 HA HIS 20 HA HIS 20 -1.953 1.206 -8.543 149 1HB HIS 20 1HB HIS 20 0.448 1.942 -6.836 150 2HB HIS 20 2HB HIS 20 -1.133 2.614 -6.486 151 HD1 HIS 20 HND HIS 20 0.061 -0.998 -7.188 152 HD2 HIS 20 HD HIS 20 -2.392 1.268 -4.655 153 HE1 HIS 20 HE HIS 20 -1.029 -2.638 -5.560 154 H ALA 21 H ALA 21 0.790 3.311 -9.291 155 HA ALA 21 HA ALA 21 -0.634 5.783 -9.121 156 1HB ALA 21 1HB ALA 21 1.709 5.339 -10.992 157 2HB ALA 21 2HB ALA 21 1.181 6.807 -10.193 158 3HB ALA 21 3HB ALA 21 1.879 5.477 -9.232 159 H GLU 22 H GLU 22 -0.114 3.681 -11.966 160 HA GLU 22 HA GLU 22 -1.566 5.480 -13.735 161 1HB GLU 22 1HB GLU 22 -1.566 3.675 -15.388 162 2HB GLU 22 2HB GLU 22 0.049 4.103 -14.822 163 1HG GLU 22 1HG GLU 22 0.313 2.083 -13.660 164 2HG GLU 22 2HG GLU 22 -1.419 1.744 -13.609 165 H LYS 23 H LYS 23 -2.436 2.501 -11.938 166 HA LYS 23 HA LYS 23 -5.044 2.331 -13.132 167 1HB LYS 23 1HB LYS 23 -3.983 1.232 -10.492 168 2HB LYS 23 2HB LYS 23 -5.536 0.801 -11.211 169 1HG LYS 23 1HG LYS 23 -2.794 0.235 -12.418 170 2HG LYS 23 2HG LYS 23 -3.866 -0.897 -11.621 171 1HD LYS 23 1HD LYS 23 -5.522 0.137 -13.630 172 2HD LYS 23 2HD LYS 23 -3.920 0.256 -14.379 173 1HE LYS 23 1HE LYS 23 -4.755 -1.922 -14.971 174 2HE LYS 23 2HE LYS 23 -3.560 -2.189 -13.692 175 1HZ LYS 23 1HZ LYS 23 -5.240 -3.349 -12.743 176 2HZ LYS 23 2HZ LYS 23 -5.719 -1.969 -12.206 177 3HZ LYS 23 3HZ LYS 23 -6.453 -2.547 -13.561 178 H LEU 24 H LEU 24 -3.822 3.917 -10.186 179 HA LEU 24 HA LEU 24 -6.562 4.743 -9.438 180 1HB LEU 24 1HB LEU 24 -3.935 5.183 -7.985 181 2HB LEU 24 2HB LEU 24 -5.573 5.378 -7.359 182 HG LEU 24 HG LEU 24 -4.422 2.691 -8.290 183 1HD1 LEU 24 1HD1 LEU 24 -3.194 3.496 -6.393 184 2HD1 LEU 24 2HD1 LEU 24 -4.665 3.895 -5.521 185 3HD1 LEU 24 3HD1 LEU 24 -4.280 2.194 -5.886 186 1HD2 LEU 24 1HD2 LEU 24 -6.754 2.579 -8.545 187 2HD2 LEU 24 2HD2 LEU 24 -6.416 1.859 -6.969 188 3HD2 LEU 24 3HD2 LEU 24 -7.070 3.510 -7.074 189 H GLY 25 H GLY 25 -3.326 6.358 -10.031 190 1HA GLY 25 1HA GLY 25 -3.776 8.355 -11.547 191 2HA GLY 25 2HA GLY 25 -4.690 8.989 -10.160 192 H CYS 26 H CYS 26 -3.600 9.153 -8.129 193 HA CYS 26 HA CYS 26 -0.857 8.883 -7.560 194 1HB CYS 26 1HB CYS 26 -0.883 10.775 -9.570 195 2HB CYS 26 2HB CYS 26 -1.265 11.801 -8.217 196 H ASP 27 H ASP 27 -3.503 10.974 -7.511 197 HA ASP 27 HA ASP 27 -3.707 12.467 -5.184 198 1HB ASP 27 1HB ASP 27 -6.134 12.144 -5.658 199 2HB ASP 27 2HB ASP 27 -5.226 12.583 -7.107 200 H ALA 28 H ALA 28 -4.549 9.154 -5.902 201 HA ALA 28 HA ALA 28 -5.732 8.102 -3.737 202 1HB ALA 28 1HB ALA 28 -4.474 5.982 -4.287 203 2HB ALA 28 2HB ALA 28 -5.153 6.830 -5.702 204 3HB ALA 28 3HB ALA 28 -3.418 6.943 -5.344 205 H CYS 29 H CYS 29 -2.246 8.783 -3.934 206 HA CYS 29 HA CYS 29 -1.947 8.124 -1.009 207 1HB CYS 29 1HB CYS 29 0.020 7.615 -3.217 208 2HB CYS 29 2HB CYS 29 0.189 7.165 -1.509 209 H HIS 30 H HIS 30 -0.977 10.272 -3.710 210 HA HIS 30 HA HIS 30 0.592 11.933 -1.757 211 1HB HIS 30 1HB HIS 30 1.097 11.444 -4.694 212 2HB HIS 30 2HB HIS 30 1.982 12.552 -3.674 213 HD1 HIS 30 HND HIS 30 3.713 11.248 -1.796 214 HD2 HIS 30 HD HIS 30 1.995 9.109 -4.971 215 HE1 HIS 30 HE HIS 30 5.242 9.251 -2.319 216 H GLU 31 H GLU 31 -0.494 13.790 -1.448 217 HA GLU 31 HA GLU 31 -2.283 14.901 -3.516 218 1HB GLU 31 1HB GLU 31 -1.562 15.843 -0.696 219 2HB GLU 31 2HB GLU 31 -2.747 16.620 -1.784 220 1HG GLU 31 1HG GLU 31 -4.050 14.566 -1.839 221 2HG GLU 31 2HG GLU 31 -2.906 13.797 -0.717 222 H GLY 32 H GLY 32 -0.814 17.323 -1.806 223 1HA GLY 32 1HA GLY 32 -0.200 18.852 -3.965 224 2HA GLY 32 2HA GLY 32 0.520 19.106 -2.370 225 H THR 33 H THR 33 2.187 16.730 -2.292 226 HA THR 33 HA THR 33 3.972 16.854 -4.590 227 HB THR 33 HB THR 33 4.824 17.919 -1.856 228 HG1 THR 33 HG1 THR 33 3.891 19.125 -4.112 229 1HG2 THR 33 1HG2 THR 33 6.452 17.663 -4.423 230 2HG2 THR 33 2HG2 THR 33 6.983 18.409 -2.904 231 3HG2 THR 33 3HG2 THR 33 6.667 16.669 -2.960 232 HA PRO 34 HA PRO 34 4.011 12.887 -2.858 233 1HB PRO 34 1HB PRO 34 5.906 11.503 -4.295 234 2HB PRO 34 2HB PRO 34 4.301 11.970 -4.915 235 1HG PRO 34 1HG PRO 34 6.916 13.398 -5.298 236 2HG PRO 34 2HG PRO 34 5.642 13.056 -6.506 237 1HD PRO 34 1HD PRO 34 5.862 15.500 -5.294 238 2HD PRO 34 2HD PRO 34 4.270 14.789 -5.689 239 H ALA 35 H ALA 35 7.379 13.834 -3.394 240 HA ALA 35 HA ALA 35 9.313 13.505 -2.238 241 1HB ALA 35 1HB ALA 35 8.350 15.689 -1.645 242 2HB ALA 35 2HB ALA 35 7.545 14.956 -0.238 243 3HB ALA 35 3HB ALA 35 9.318 15.033 -0.321 244 H LYS 36 H LYS 36 8.349 10.935 -1.989 245 HA LYS 36 HA LYS 36 8.313 9.116 -0.851 246 1HB LYS 36 1HB LYS 36 10.668 10.367 -0.661 247 2HB LYS 36 2HB LYS 36 10.359 10.254 1.058 248 1HG LYS 36 1HG LYS 36 10.168 7.889 -0.891 249 2HG LYS 36 2HG LYS 36 11.685 8.436 -0.256 250 1HD LYS 36 1HD LYS 36 9.296 7.461 1.388 251 2HD LYS 36 2HD LYS 36 10.652 6.450 0.891 252 1HE LYS 36 1HE LYS 36 12.196 7.762 2.196 253 2HE LYS 36 2HE LYS 36 10.951 8.932 2.659 254 1HZ LYS 36 1HZ LYS 36 11.319 7.325 4.388 255 2HZ LYS 36 2HZ LYS 36 9.780 7.317 3.796 256 3HZ LYS 36 3HZ LYS 36 10.827 6.095 3.389 257 H ILE 37 H ILE 37 7.087 7.987 0.552 258 HA ILE 37 HA ILE 37 5.940 9.481 2.861 259 HB ILE 37 HB ILE 37 5.096 6.719 1.931 260 1HG1 ILE 37 1HG1 ILE 37 4.884 8.056 0.011 261 2HG1 ILE 37 2HG1 ILE 37 3.379 7.506 0.715 262 1HG2 ILE 37 1HG2 ILE 37 2.915 7.505 2.981 263 2HG2 ILE 37 2HG2 ILE 37 4.177 7.371 4.190 264 3HG2 ILE 37 3HG2 ILE 37 3.753 8.951 3.565 265 1HD1 ILE 37 1HD1 ILE 37 2.991 9.808 1.679 266 2HD1 ILE 37 2HD1 ILE 37 4.479 10.352 0.860 267 3HD1 ILE 37 3HD1 ILE 37 3.074 9.771 -0.068 268 H ALA 38 H ALA 38 5.729 6.472 3.728 269 HA ALA 38 HA ALA 38 8.018 5.485 4.988 270 1HB ALA 38 1HB ALA 38 7.820 6.647 7.231 271 2HB ALA 38 2HB ALA 38 8.430 7.729 5.983 272 3HB ALA 38 3HB ALA 38 6.721 7.818 6.469 273 H ILE 39 H ILE 39 5.790 4.331 3.976 274 HA ILE 39 HA ILE 39 3.608 4.114 5.841 275 HB ILE 39 HB ILE 39 4.587 2.396 3.564 276 1HG1 ILE 39 1HG1 ILE 39 3.834 4.626 2.910 277 2HG1 ILE 39 2HG1 ILE 39 2.783 3.344 2.325 278 1HG2 ILE 39 1HG2 ILE 39 2.326 1.318 3.611 279 2HG2 ILE 39 2HG2 ILE 39 3.365 0.891 4.962 280 3HG2 ILE 39 3HG2 ILE 39 2.053 2.058 5.206 281 1HD1 ILE 39 1HD1 ILE 39 1.161 3.880 4.173 282 2HD1 ILE 39 2HD1 ILE 39 2.186 5.272 4.601 283 3HD1 ILE 39 3HD1 ILE 39 1.417 5.191 3.012 284 H ASP 40 H ASP 40 3.706 3.260 7.725 285 HA ASP 40 HA ASP 40 5.611 1.055 8.341 286 1HB ASP 40 1HB ASP 40 5.510 1.769 10.662 287 2HB ASP 40 2HB ASP 40 6.130 3.014 9.628 288 H LYS 41 H LYS 41 4.876 -0.420 9.771 289 HA LYS 41 HA LYS 41 2.615 -1.837 9.735 290 1HB LYS 41 1HB LYS 41 3.030 -2.389 12.122 291 2HB LYS 41 2HB LYS 41 4.411 -2.445 11.043 292 1HG LYS 41 1HG LYS 41 4.664 0.125 12.072 293 2HG LYS 41 2HG LYS 41 4.015 -0.757 13.447 294 1HD LYS 41 1HD LYS 41 6.392 -1.652 11.737 295 2HD LYS 41 2HD LYS 41 6.562 -0.658 13.188 296 1HE LYS 41 1HE LYS 41 5.757 -2.370 14.640 297 2HE LYS 41 2HE LYS 41 5.121 -3.336 13.304 298 1HZ LYS 41 1HZ LYS 41 7.209 -4.187 14.199 299 2HZ LYS 41 2HZ LYS 41 7.265 -3.938 12.634 300 3HZ LYS 41 3HZ LYS 41 8.011 -2.857 13.641 301 H LYS 42 H LYS 42 2.817 1.058 11.824 302 HA LYS 42 HA LYS 42 0.190 1.045 12.758 303 1HB LYS 42 1HB LYS 42 2.191 2.338 13.583 304 2HB LYS 42 2HB LYS 42 2.033 3.372 12.149 305 1HG LYS 42 1HG LYS 42 -0.150 4.115 12.849 306 2HG LYS 42 2HG LYS 42 -0.118 2.955 14.191 307 1HD LYS 42 1HD LYS 42 0.365 5.126 15.081 308 2HD LYS 42 2HD LYS 42 1.829 4.161 15.202 309 1HE LYS 42 1HE LYS 42 1.311 6.135 12.905 310 2HE LYS 42 2HE LYS 42 2.006 6.629 14.451 311 1HZ LYS 42 1HZ LYS 42 3.311 4.723 12.570 312 2HZ LYS 42 2HZ LYS 42 3.731 6.243 12.899 313 3HZ LYS 42 3HZ LYS 42 3.841 5.093 14.054 314 H SER 43 H SER 43 1.530 3.173 10.077 315 HA SER 43 HA SER 43 -1.019 4.211 9.433 316 1HB SER 43 1HB SER 43 1.402 3.951 7.606 317 2HB SER 43 2HB SER 43 0.046 5.084 7.444 318 HG SER 43 HG SER 43 2.093 4.944 9.391 319 H ALA 44 H ALA 44 0.883 1.670 7.879 320 HA ALA 44 HA ALA 44 -0.533 0.712 5.755 321 1HB ALA 44 1HB ALA 44 0.883 -0.796 7.976 322 2HB ALA 44 2HB ALA 44 0.328 -1.469 6.444 323 3HB ALA 44 3HB ALA 44 1.574 -0.172 6.472 324 H HIS 45 H HIS 45 -0.933 -0.510 9.103 325 HA HIS 45 HA HIS 45 -3.338 -1.971 8.304 326 1HB HIS 45 1HB HIS 45 -1.564 -1.970 10.728 327 2HB HIS 45 2HB HIS 45 -3.204 -2.577 10.844 328 HD1 HIS 45 HND HIS 45 -3.730 -4.905 9.919 329 HD2 HIS 45 HD HIS 45 0.040 -3.408 8.818 330 HE1 HIS 45 HE HIS 45 -2.539 -6.774 8.688 331 H LYS 46 H LYS 46 -2.750 1.204 9.476 332 HA LYS 46 HA LYS 46 -5.251 1.383 11.037 333 1HB LYS 46 1HB LYS 46 -3.321 2.558 11.798 334 2HB LYS 46 2HB LYS 46 -3.079 3.383 10.263 335 1HG LYS 46 1HG LYS 46 -5.544 3.796 11.999 336 2HG LYS 46 2HG LYS 46 -4.031 4.659 12.258 337 1HD LYS 46 1HD LYS 46 -4.493 5.028 9.505 338 2HD LYS 46 2HD LYS 46 -6.108 5.065 10.217 339 1HE LYS 46 1HE LYS 46 -5.402 7.297 10.176 340 2HE LYS 46 2HE LYS 46 -5.132 6.823 11.859 341 1HZ LYS 46 1HZ LYS 46 -2.792 6.450 11.232 342 2HZ LYS 46 2HZ LYS 46 -3.113 6.948 9.697 343 3HZ LYS 46 3HZ LYS 46 -3.251 8.006 10.945 344 H ASP 47 H ASP 47 -3.893 3.165 8.264 345 HA ASP 47 HA ASP 47 -6.070 2.681 6.507 346 1HB ASP 47 1HB ASP 47 -5.977 5.426 7.852 347 2HB ASP 47 2HB ASP 47 -6.594 5.188 6.240 348 H ALA 48 H ALA 48 -4.190 1.970 5.429 349 HA ALA 48 HA ALA 48 -3.492 4.109 3.625 350 1HB ALA 48 1HB ALA 48 -1.229 2.556 4.935 351 2HB ALA 48 2HB ALA 48 -1.080 3.474 3.421 352 3HB ALA 48 3HB ALA 48 -1.491 4.301 4.936 353 H CYS 49 H CYS 49 -2.170 0.818 4.098 354 HA CYS 49 HA CYS 49 -3.163 0.005 1.474 355 1HB CYS 49 1HB CYS 49 -1.839 -1.723 3.502 356 2HB CYS 49 2HB CYS 49 -1.846 -1.930 1.765 357 H LYS 50 H LYS 50 -3.622 -1.022 4.960 358 HA LYS 50 HA LYS 50 -5.744 -2.850 4.116 359 1HB LYS 50 1HB LYS 50 -4.069 -3.228 6.030 360 2HB LYS 50 2HB LYS 50 -5.054 -2.081 6.946 361 1HG LYS 50 1HG LYS 50 -7.049 -3.752 6.058 362 2HG LYS 50 2HG LYS 50 -5.677 -4.840 5.917 363 1HD LYS 50 1HD LYS 50 -6.332 -5.345 8.039 364 2HD LYS 50 2HD LYS 50 -5.180 -4.064 8.418 365 1HE LYS 50 1HE LYS 50 -8.231 -3.799 8.192 366 2HE LYS 50 2HE LYS 50 -7.318 -3.892 9.701 367 1HZ LYS 50 1HZ LYS 50 -7.908 -1.628 9.163 368 2HZ LYS 50 2HZ LYS 50 -6.285 -1.779 9.144 369 3HZ LYS 50 3HZ LYS 50 -7.120 -1.701 7.732 370 H THR 51 H THR 51 -6.609 -0.612 3.164 371 HA THR 51 HA THR 51 -9.124 -0.339 4.503 372 HB THR 51 HB THR 51 -7.784 1.355 5.816 373 HG1 THR 51 HG1 THR 51 -9.403 2.792 5.745 374 1HG2 THR 51 1HG2 THR 51 -7.286 3.521 4.766 375 2HG2 THR 51 2HG2 THR 51 -6.404 2.259 3.895 376 3HG2 THR 51 3HG2 THR 51 -7.880 2.990 3.216 377 H CYS 52 H CYS 52 -6.906 0.935 2.003 378 HA CYS 52 HA CYS 52 -8.911 2.026 0.375 379 1HB CYS 52 1HB CYS 52 -6.195 1.979 0.449 380 2HB CYS 52 2HB CYS 52 -6.493 0.848 -0.871 381 H HIS 53 H HIS 53 -7.515 -1.247 0.502 382 HA HIS 53 HA HIS 53 -8.857 -2.155 -1.855 383 1HB HIS 53 1HB HIS 53 -7.699 -3.958 0.273 384 2HB HIS 53 2HB HIS 53 -7.927 -4.288 -1.433 385 HD1 HIS 53 HND HIS 53 -5.539 -2.442 0.952 386 HD2 HIS 53 HD HIS 53 -6.065 -3.095 -3.190 387 HE1 HIS 53 HE HIS 53 -3.435 -1.773 -0.185 388 H LYS 54 H LYS 54 -10.949 -1.094 -0.553 389 HA LYS 54 HA LYS 54 -12.584 -3.613 -0.409 390 1HB LYS 54 1HB LYS 54 -13.312 -0.944 0.847 391 2HB LYS 54 2HB LYS 54 -14.380 -2.335 0.677 392 1HG LYS 54 1HG LYS 54 -13.773 -2.918 2.742 393 2HG LYS 54 2HG LYS 54 -12.350 -3.583 1.939 394 1HD LYS 54 1HD LYS 54 -11.533 -2.319 3.778 395 2HD LYS 54 2HD LYS 54 -11.211 -1.392 2.309 396 1HE LYS 54 1HE LYS 54 -13.377 -0.061 2.838 397 2HE LYS 54 2HE LYS 54 -13.452 -0.936 4.370 398 1HZ LYS 54 1HZ LYS 54 -12.427 1.271 4.525 399 2HZ LYS 54 2HZ LYS 54 -11.349 0.123 4.968 400 3HZ LYS 54 3HZ LYS 54 -11.243 0.813 3.490 401 H SER 55 H SER 55 -11.441 -2.170 -2.728 402 HA SER 55 HA SER 55 -13.908 -2.306 -4.277 403 1HB SER 55 1HB SER 55 -13.673 -0.090 -5.313 404 2HB SER 55 2HB SER 55 -13.991 0.065 -3.578 405 HG SER 55 HG SER 55 -11.466 0.199 -4.862 406 H ASN 56 H ASN 56 -12.284 -4.157 -4.505 407 HA ASN 56 HA ASN 56 -11.198 -4.328 -7.020 408 1HB ASN 56 1HB ASN 56 -8.685 -4.401 -6.464 409 2HB ASN 56 2HB ASN 56 -9.442 -2.856 -6.797 410 1HD2 ASN 56 1HD2 ASN 56 -9.556 -1.308 -5.201 411 2HD2 ASN 56 2HD2 ASN 56 -8.629 -1.408 -3.702 412 H ASN 57 H ASN 57 -10.682 -5.338 -3.567 413 HA ASN 57 HA ASN 57 -11.400 -7.985 -4.408 414 1HB ASN 57 1HB ASN 57 -8.625 -7.432 -4.582 415 2HB ASN 57 2HB ASN 57 -8.789 -8.215 -3.014 416 1HD2 ASN 57 1HD2 ASN 57 -9.900 -8.443 -6.408 417 2HD2 ASN 57 2HD2 ASN 57 -9.842 -10.209 -6.505 418 H GLY 58 H GLY 58 -10.931 -9.570 -2.424 419 1HA GLY 58 1HA GLY 58 -12.030 -8.226 0.022 420 2HA GLY 58 2HA GLY 58 -12.738 -9.660 -0.705 421 HA PRO 59 HA PRO 59 -8.502 -10.962 1.102 422 1HB PRO 59 1HB PRO 59 -7.657 -9.746 3.424 423 2HB PRO 59 2HB PRO 59 -7.400 -8.975 1.831 424 1HG PRO 59 1HG PRO 59 -9.675 -8.474 3.776 425 2HG PRO 59 2HG PRO 59 -8.617 -7.253 3.008 426 1HD PRO 59 1HD PRO 59 -11.069 -7.896 2.013 427 2HD PRO 59 2HD PRO 59 -9.711 -7.520 0.910 428 H THR 60 H THR 60 -7.831 -12.193 3.034 429 HA THR 60 HA THR 60 -10.334 -13.680 3.595 430 HB THR 60 HB THR 60 -9.346 -13.613 1.223 431 HG1 THR 60 HG1 THR 60 -10.850 -14.917 1.601 432 1HG2 THR 60 1HG2 THR 60 -7.389 -15.670 2.270 433 2HG2 THR 60 2HG2 THR 60 -7.679 -15.180 0.601 434 3HG2 THR 60 3HG2 THR 60 -6.960 -14.023 1.729 435 H LYS 61 H LYS 61 -6.736 -13.928 3.848 436 HA LYS 61 HA LYS 61 -6.877 -14.246 6.654 437 1HB LYS 61 1HB LYS 61 -5.824 -16.554 6.798 438 2HB LYS 61 2HB LYS 61 -7.553 -16.406 6.582 439 1HG LYS 61 1HG LYS 61 -6.949 -18.201 5.293 440 2HG LYS 61 2HG LYS 61 -7.301 -16.923 4.137 441 1HD LYS 61 1HD LYS 61 -4.945 -16.607 3.668 442 2HD LYS 61 2HD LYS 61 -4.475 -17.541 5.107 443 1HE LYS 61 1HE LYS 61 -5.460 -19.598 4.058 444 2HE LYS 61 2HE LYS 61 -5.822 -18.656 2.601 445 1HZ LYS 61 1HZ LYS 61 -3.449 -18.256 2.376 446 2HZ LYS 61 2HZ LYS 61 -3.134 -19.133 3.729 447 3HZ LYS 61 3HZ LYS 61 -3.766 -19.868 2.403 448 H CYS 62 H CYS 62 -5.661 -12.393 6.102 449 HA CYS 62 HA CYS 62 -3.893 -11.150 5.621 450 1HB CYS 62 1HB CYS 62 -2.197 -13.559 6.351 451 2HB CYS 62 2HB CYS 62 -1.692 -11.862 6.379 452 H GLY 63 H GLY 63 -1.324 -12.694 4.502 453 1HA GLY 63 1HA GLY 63 -0.629 -13.753 2.591 454 2HA GLY 63 2HA GLY 63 -2.311 -13.921 2.078 455 H GLY 64 H GLY 64 -3.148 -11.329 1.893 456 1HA GLY 64 1HA GLY 64 -2.774 -10.635 -0.649 457 2HA GLY 64 2HA GLY 64 -3.090 -9.411 0.589 458 H CYS 65 H CYS 65 -0.769 -9.173 1.913 459 HA CYS 65 HA CYS 65 0.822 -7.719 -0.153 460 1HB CYS 65 1HB CYS 65 0.328 -7.018 2.716 461 2HB CYS 65 2HB CYS 65 0.899 -5.941 1.432 462 H HIS 66 H HIS 66 1.120 -9.394 2.986 463 HA HIS 66 HA HIS 66 4.066 -9.369 2.888 464 1HB HIS 66 1HB HIS 66 2.174 -10.950 4.679 465 2HB HIS 66 2HB HIS 66 3.910 -10.758 4.880 466 HD1 HIS 66 HND HIS 66 4.647 -7.978 5.295 467 HD2 HIS 66 HD HIS 66 0.653 -9.176 5.943 468 HE1 HIS 66 HE HIS 66 3.605 -6.332 6.904 469 H ILE 67 H ILE 67 5.191 -10.929 1.738 470 HA ILE 67 HA ILE 67 3.626 -13.129 0.499 471 HB ILE 67 HB ILE 67 6.522 -12.294 0.151 472 1HG1 ILE 67 1HG1 ILE 67 5.079 -10.515 -0.655 473 2HG1 ILE 67 2HG1 ILE 67 5.810 -11.368 -2.008 474 1HG2 ILE 67 1HG2 ILE 67 6.374 -13.718 -1.908 475 2HG2 ILE 67 2HG2 ILE 67 6.253 -14.636 -0.401 476 3HG2 ILE 67 3HG2 ILE 67 4.793 -14.309 -1.349 477 1HD1 ILE 67 1HD1 ILE 67 3.651 -12.604 -2.364 478 2HD1 ILE 67 2HD1 ILE 67 2.926 -11.653 -1.044 479 3HD1 ILE 67 3HD1 ILE 67 3.495 -10.851 -2.509 480 H LYS 68 H LYS 68 3.168 -14.716 1.981 481 HA LYS 68 HA LYS 68 5.309 -16.163 3.255 482 1HB LYS 68 1HB LYS 68 4.646 -14.208 4.855 483 2HB LYS 68 2HB LYS 68 3.038 -14.943 4.879 484 1HG LYS 68 1HG LYS 68 4.599 -17.130 5.461 485 2HG LYS 68 2HG LYS 68 5.621 -15.844 6.114 486 1HD LYS 68 1HD LYS 68 3.697 -15.041 7.480 487 2HD LYS 68 2HD LYS 68 2.666 -16.295 6.740 488 1HE LYS 68 1HE LYS 68 4.276 -18.049 7.632 489 2HE LYS 68 2HE LYS 68 5.113 -16.762 8.517 490 1HZ LYS 68 1HZ LYS 68 2.294 -17.566 8.846 491 2HZ LYS 68 2HZ LYS 68 3.522 -17.907 9.883 492 3HZ LYS 68 3HZ LYS 68 3.029 -16.349 9.678 493 HHA HEC 69 HCM HEC 69 8.373 7.114 -2.257 494 HHB HEC 69 HDM HEC 69 6.392 10.611 -7.212 495 HHC HEC 69 HAM HEC 69 1.022 7.122 -7.432 496 HHD HEC 69 HBM HEC 69 2.536 4.770 -1.684 497 1HMA HEC 69 HM81 HEC 69 9.856 10.826 -5.849 498 2HMA HEC 69 HM82 HEC 69 8.912 10.300 -7.230 499 3HMA HEC 69 HM83 HEC 69 8.343 11.663 -6.228 500 1HAA HEC 69 HP71 HEC 69 10.357 9.988 -3.918 501 2HAA HEC 69 HP72 HEC 69 9.869 8.837 -2.705 502 1HBA HEC 69 HP73 HEC 69 11.802 8.001 -3.909 503 2HBA HEC 69 HP74 HEC 69 10.407 6.971 -4.259 504 1HMB HEC 69 HM11 HEC 69 3.498 11.634 -9.068 505 2HMB HEC 69 HM12 HEC 69 5.203 11.493 -8.710 506 3HMB HEC 69 HM13 HEC 69 4.529 10.560 -10.051 507 HAB HEC 69 HT2A HEC 69 0.846 8.637 -8.882 508 1HBB HEC 69 HT21 HEC 69 2.344 8.942 -10.898 509 2HBB HEC 69 HT22 HEC 69 0.761 9.726 -10.918 510 3HBB HEC 69 HT23 HEC 69 2.200 10.691 -10.617 511 1HMC HEC 69 HM31 HEC 69 -1.358 5.152 -5.334 512 2HMC HEC 69 HM32 HEC 69 -0.933 6.627 -6.189 513 3HMC HEC 69 HM33 HEC 69 -0.430 5.043 -6.838 514 HAC HEC 69 HT4A HEC 69 0.489 4.509 -1.969 515 1HBC HEC 69 HT41 HEC 69 0.363 2.590 -3.622 516 2HBC HEC 69 HT42 HEC 69 -1.021 2.777 -2.532 517 3HBC HEC 69 HT43 HEC 69 -1.155 3.299 -4.207 518 1HMD HEC 69 HM51 HEC 69 4.115 3.517 -0.393 519 2HMD HEC 69 HM52 HEC 69 5.322 4.153 0.740 520 3HMD HEC 69 HM53 HEC 69 3.745 4.965 0.563 521 1HAD HEC 69 HP61 HEC 69 8.132 6.547 -0.274 522 2HAD HEC 69 HP62 HEC 69 6.943 5.924 0.837 523 1HBD HEC 69 HP63 HEC 69 8.731 4.418 0.888 524 2HBD HEC 69 HP64 HEC 69 7.500 3.632 -0.110 525 HHA HEC 70 HCM HEC 70 -4.017 -4.979 -6.277 526 HHB HEC 70 HDM HEC 70 0.084 -4.249 -1.445 527 HHC HEC 70 HAM HEC 70 -2.266 1.549 -0.313 528 HHD HEC 70 HBM HEC 70 -6.559 0.707 -4.954 529 1HMA HEC 70 HM81 HEC 70 0.756 -6.187 -3.115 530 2HMA HEC 70 HM82 HEC 70 -0.397 -6.599 -1.819 531 3HMA HEC 70 HM83 HEC 70 -0.439 -7.487 -3.339 532 1HAA HEC 70 HP71 HEC 70 -2.488 -6.560 -6.398 533 2HAA HEC 70 HP72 HEC 70 -1.156 -7.257 -5.508 534 1HBA HEC 70 HP73 HEC 70 -2.903 -8.860 -5.517 535 2HBA HEC 70 HP74 HEC 70 -2.811 -8.226 -3.872 536 1HMB HEC 70 HM11 HEC 70 1.618 -1.842 0.977 537 2HMB HEC 70 HM12 HEC 70 0.464 -3.181 1.112 538 3HMB HEC 70 HM13 HEC 70 1.618 -3.133 -0.230 539 HAB HEC 70 HT2A HEC 70 -0.783 1.281 1.029 540 1HBB HEC 70 HT21 HEC 70 2.066 0.318 0.731 541 2HBB HEC 70 HT22 HEC 70 1.291 1.566 -0.256 542 3HBB HEC 70 HT23 HEC 70 1.465 1.800 1.487 543 1HMC HEC 70 HM31 HEC 70 -4.617 4.249 -1.698 544 2HMC HEC 70 HM32 HEC 70 -4.357 3.319 -0.208 545 3HMC HEC 70 HM33 HEC 70 -2.997 3.687 -1.287 546 HAC HEC 70 HT4A HEC 70 -7.442 1.803 -3.207 547 1HBC HEC 70 HT41 HEC 70 -6.691 3.365 -4.903 548 2HBC HEC 70 HT42 HEC 70 -7.809 4.182 -3.807 549 3HBC HEC 70 HT43 HEC 70 -6.063 4.474 -3.658 550 1HMD HEC 70 HM51 HEC 70 -7.776 -0.222 -6.572 551 2HMD HEC 70 HM52 HEC 70 -6.623 -0.288 -7.932 552 3HMD HEC 70 HM53 HEC 70 -7.797 -1.577 -7.694 553 1HAD HEC 70 HP61 HEC 70 -5.869 -4.697 -7.602 554 2HAD HEC 70 HP62 HEC 70 -6.732 -3.357 -8.334 555 1HBD HEC 70 HP63 HEC 70 -4.066 -2.591 -8.630 556 2HBD HEC 70 HP64 HEC 70 -4.010 -4.337 -8.873 557 HHA HEC 71 HCM HEC 71 3.805 -3.830 8.960 558 HHB HEC 71 HDM HEC 71 0.760 -8.932 11.383 559 HHC HEC 71 HAM HEC 71 -2.716 -9.332 6.047 560 HHD HEC 71 HBM HEC 71 0.000 -4.016 3.883 561 1HMA HEC 71 HM81 HEC 71 1.761 -7.817 13.060 562 2HMA HEC 71 HM82 HEC 71 3.507 -8.055 12.756 563 3HMA HEC 71 HM83 HEC 71 2.898 -6.504 13.339 564 1HAA HEC 71 HP71 HEC 71 5.049 -4.641 10.577 565 2HAA HEC 71 HP72 HEC 71 4.690 -5.291 12.185 566 1HBA HEC 71 HP73 HEC 71 5.344 -7.520 11.444 567 2HBA HEC 71 HP74 HEC 71 5.581 -6.921 9.791 568 1HMB HEC 71 HM11 HEC 71 -1.606 -11.776 10.558 569 2HMB HEC 71 HM12 HEC 71 -0.020 -11.171 11.031 570 3HMB HEC 71 HM13 HEC 71 -1.490 -10.414 11.698 571 HAB HEC 71 HT2A HEC 71 -3.823 -10.235 7.658 572 1HBB HEC 71 HT21 HEC 71 -5.133 -10.831 9.518 573 2HBB HEC 71 HT22 HEC 71 -3.738 -10.859 10.601 574 3HBB HEC 71 HT23 HEC 71 -4.263 -9.327 9.871 575 1HMC HEC 71 HM31 HEC 71 -4.236 -8.041 4.174 576 2HMC HEC 71 HM32 HEC 71 -3.326 -7.921 2.650 577 3HMC HEC 71 HM33 HEC 71 -2.957 -9.214 3.778 578 HAC HEC 71 HT4A HEC 71 -1.510 -4.450 2.571 579 1HBC HEC 71 HT41 HEC 71 -3.834 -4.372 3.279 580 2HBC HEC 71 HT42 HEC 71 -3.634 -4.472 1.517 581 3HBC HEC 71 HT43 HEC 71 -4.159 -5.892 2.425 582 1HMD HEC 71 HM51 HEC 71 1.472 -1.309 4.490 583 2HMD HEC 71 HM52 HEC 71 3.070 -1.958 4.151 584 3HMD HEC 71 HM53 HEC 71 1.643 -2.690 3.403 585 1HAD HEC 71 HP61 HEC 71 3.740 -1.198 6.212 586 2HAD HEC 71 HP62 HEC 71 3.685 -1.721 7.880 587 1HBD HEC 71 HP63 HEC 71 5.052 -3.763 7.029 588 2HBD HEC 71 HP64 HEC 71 5.418 -2.729 5.666 Start of MODEL 3 1 1H ALA 1 1H ALA 1 10.523 -1.912 -11.305 2 2H ALA 1 2H ALA 1 12.070 -2.315 -10.888 3 3H ALA 1 3H ALA 1 10.851 -2.363 -9.771 4 HA ALA 1 HA ALA 1 12.146 -0.447 -9.314 5 1HB ALA 1 1HB ALA 1 12.313 1.348 -11.019 6 2HB ALA 1 2HB ALA 1 13.127 -0.137 -11.544 7 3HB ALA 1 3HB ALA 1 11.543 0.291 -12.220 8 H ASP 2 H ASP 2 9.532 -0.265 -11.607 9 HA ASP 2 HA ASP 2 7.300 0.771 -10.222 10 1HB ASP 2 1HB ASP 2 6.239 -0.794 -11.920 11 2HB ASP 2 2HB ASP 2 7.361 0.384 -12.611 12 H VAL 3 H VAL 3 8.580 -0.414 -8.117 13 HA VAL 3 HA VAL 3 6.691 -1.870 -6.872 14 HB VAL 3 HB VAL 3 6.954 -3.854 -8.205 15 1HG1 VAL 3 1HG1 VAL 3 9.957 -3.719 -7.679 16 2HG1 VAL 3 2HG1 VAL 3 9.095 -5.048 -8.473 17 3HG1 VAL 3 3HG1 VAL 3 9.146 -3.465 -9.245 18 1HG2 VAL 3 1HG2 VAL 3 6.717 -4.233 -5.793 19 2HG2 VAL 3 2HG2 VAL 3 7.573 -5.528 -6.637 20 3HG2 VAL 3 3HG2 VAL 3 8.484 -4.378 -5.648 21 H VAL 4 H VAL 4 7.184 -1.947 -4.670 22 HA VAL 4 HA VAL 4 10.023 -1.657 -3.837 23 HB VAL 4 HB VAL 4 7.685 -0.025 -2.797 24 1HG1 VAL 4 1HG1 VAL 4 10.518 -0.374 -1.685 25 2HG1 VAL 4 2HG1 VAL 4 9.441 0.960 -1.232 26 3HG1 VAL 4 3HG1 VAL 4 9.008 -0.694 -0.827 27 1HG2 VAL 4 1HG2 VAL 4 9.131 1.892 -3.366 28 2HG2 VAL 4 2HG2 VAL 4 10.339 0.775 -4.040 29 3HG2 VAL 4 3HG2 VAL 4 8.737 0.931 -4.801 30 H THR 5 H THR 5 10.325 -2.506 -1.664 31 HA THR 5 HA THR 5 7.962 -3.528 -0.449 32 HB THR 5 HB THR 5 8.784 -5.618 -1.241 33 HG1 THR 5 HG1 THR 5 10.320 -5.279 1.075 34 1HG2 THR 5 1HG2 THR 5 11.201 -6.315 -1.118 35 2HG2 THR 5 2HG2 THR 5 10.865 -5.033 -2.285 36 3HG2 THR 5 3HG2 THR 5 11.614 -4.639 -0.723 37 H TYR 6 H TYR 6 7.884 -3.393 1.659 38 HA TYR 6 HA TYR 6 9.651 -1.539 3.015 39 1HB TYR 6 1HB TYR 6 7.397 -3.269 4.070 40 2HB TYR 6 2HB TYR 6 8.208 -2.014 4.988 41 HD1 TYR 6 HD1 TYR 6 5.343 -2.637 3.118 42 HD2 TYR 6 HD2 TYR 6 8.405 0.357 3.577 43 HE1 TYR 6 HE1 TYR 6 3.932 -0.999 1.946 44 HE2 TYR 6 HE2 TYR 6 6.997 1.971 2.368 45 HH TYR 6 HH TYR 6 4.927 2.382 1.488 46 H GLU 7 H GLU 7 9.465 -5.029 2.822 47 HA GLU 7 HA GLU 7 10.592 -6.728 3.677 48 1HB GLU 7 1HB GLU 7 12.759 -4.732 3.956 49 2HB GLU 7 2HB GLU 7 12.915 -6.503 3.959 50 1HG GLU 7 1HG GLU 7 11.903 -6.482 1.615 51 2HG GLU 7 2HG GLU 7 12.065 -4.695 1.659 52 H ASN 8 H ASN 8 9.358 -7.117 5.419 53 HA ASN 8 HA ASN 8 10.022 -5.907 8.060 54 1HB ASN 8 1HB ASN 8 7.494 -7.448 7.496 55 2HB ASN 8 2HB ASN 8 7.790 -6.126 8.631 56 1HD2 ASN 8 1HD2 ASN 8 6.588 -6.951 5.507 57 2HD2 ASN 8 2HD2 ASN 8 6.379 -5.284 4.964 58 H LYS 9 H LYS 9 9.296 -7.538 9.966 59 HA LYS 9 HA LYS 9 11.083 -9.862 9.669 60 1HB LYS 9 1HB LYS 9 11.184 -8.399 11.660 61 2HB LYS 9 2HB LYS 9 9.513 -8.761 12.042 62 1HG LYS 9 1HG LYS 9 9.969 -10.718 12.987 63 2HG LYS 9 2HG LYS 9 11.030 -11.260 11.702 64 1HD LYS 9 1HD LYS 9 11.797 -9.282 13.908 65 2HD LYS 9 2HD LYS 9 12.124 -11.010 13.991 66 1HE LYS 9 1HE LYS 9 13.258 -9.076 11.892 67 2HE LYS 9 2HE LYS 9 14.119 -9.716 13.293 68 1HZ LYS 9 1HZ LYS 9 13.084 -11.306 11.043 69 2HZ LYS 9 2HZ LYS 9 14.655 -10.931 11.329 70 3HZ LYS 9 3HZ LYS 9 13.851 -11.925 12.364 71 H LYS 10 H LYS 10 7.691 -9.010 10.285 72 HA LYS 10 HA LYS 10 6.485 -11.580 10.386 73 1HB LYS 10 1HB LYS 10 5.075 -9.820 10.824 74 2HB LYS 10 2HB LYS 10 5.758 -8.863 9.485 75 1HG LYS 10 1HG LYS 10 3.418 -9.220 9.234 76 2HG LYS 10 2HG LYS 10 4.407 -9.689 7.881 77 1HD LYS 10 1HD LYS 10 2.524 -11.232 8.284 78 2HD LYS 10 2HD LYS 10 4.089 -12.034 8.243 79 1HE LYS 10 1HE LYS 10 4.126 -12.031 10.771 80 2HE LYS 10 2HE LYS 10 2.507 -11.311 10.755 81 1HZ LYS 10 1HZ LYS 10 3.269 -13.925 9.617 82 2HZ LYS 10 2HZ LYS 10 2.439 -13.695 11.018 83 3HZ LYS 10 3HZ LYS 10 1.752 -13.292 9.576 84 H GLY 11 H GLY 11 7.184 -9.586 7.497 85 1HA GLY 11 1HA GLY 11 7.992 -11.608 5.771 86 2HA GLY 11 2HA GLY 11 6.220 -11.529 5.616 87 H ASN 12 H ASN 12 8.680 -10.599 3.947 88 HA ASN 12 HA ASN 12 8.724 -7.791 3.612 89 1HB ASN 12 1HB ASN 12 9.018 -9.992 1.530 90 2HB ASN 12 2HB ASN 12 9.426 -8.300 1.286 91 1HD2 ASN 12 1HD2 ASN 12 10.370 -9.146 4.526 92 2HD2 ASN 12 2HD2 ASN 12 12.036 -9.456 4.097 93 H VAL 13 H VAL 13 7.248 -6.406 2.861 94 HA VAL 13 HA VAL 13 4.705 -7.390 1.671 95 HB VAL 13 HB VAL 13 5.585 -4.800 2.961 96 1HG1 VAL 13 1HG1 VAL 13 3.337 -5.301 1.001 97 2HG1 VAL 13 2HG1 VAL 13 3.027 -4.237 2.374 98 3HG1 VAL 13 3HG1 VAL 13 4.326 -3.844 1.238 99 1HG2 VAL 13 1HG2 VAL 13 4.732 -6.753 4.289 100 2HG2 VAL 13 2HG2 VAL 13 3.810 -5.260 4.490 101 3HG2 VAL 13 3HG2 VAL 13 3.166 -6.576 3.476 102 H THR 14 H THR 14 5.081 -7.731 -0.502 103 HA THR 14 HA THR 14 6.710 -5.782 -2.034 104 HB THR 14 HB THR 14 5.074 -8.140 -3.032 105 HG1 THR 14 HG1 THR 14 7.703 -7.926 -2.016 106 1HG2 THR 14 1HG2 THR 14 6.657 -8.025 -4.938 107 2HG2 THR 14 2HG2 THR 14 5.735 -6.520 -4.789 108 3HG2 THR 14 3HG2 THR 14 7.421 -6.589 -4.227 109 H PHE 15 H PHE 15 5.791 -4.013 -3.068 110 HA PHE 15 HA PHE 15 2.913 -4.127 -3.698 111 1HB PHE 15 1HB PHE 15 2.374 -2.081 -2.612 112 2HB PHE 15 2HB PHE 15 3.074 -3.186 -1.434 113 HD1 PHE 15 HD1 PHE 15 5.519 -2.841 -0.719 114 HD2 PHE 15 HD2 PHE 15 3.235 0.101 -2.901 115 HE1 PHE 15 HE1 PHE 15 6.928 -1.032 0.222 116 HE2 PHE 15 HE2 PHE 15 4.650 1.892 -1.964 117 HZ PHE 15 HZ PHE 15 6.480 1.323 -0.372 118 H ASP 16 H ASP 16 2.396 -3.034 -5.519 119 HA ASP 16 HA ASP 16 4.578 -2.152 -7.215 120 1HB ASP 16 1HB ASP 16 2.420 -3.367 -7.909 121 2HB ASP 16 2HB ASP 16 1.654 -1.780 -7.815 122 H HIS 17 H HIS 17 4.174 0.020 -8.337 123 HA HIS 17 HA HIS 17 3.496 2.191 -6.432 124 1HB HIS 17 1HB HIS 17 5.932 1.630 -6.213 125 2HB HIS 17 2HB HIS 17 6.173 1.975 -7.920 126 HD1 HIS 17 HND HIS 17 7.982 3.770 -6.702 127 HD2 HIS 17 HD HIS 17 3.872 4.434 -6.176 128 HE1 HIS 17 HE HIS 17 7.738 6.100 -5.703 129 H LYS 18 H LYS 18 5.004 1.635 -9.604 130 HA LYS 18 HA LYS 18 3.862 3.656 -11.144 131 1HB LYS 18 1HB LYS 18 5.693 2.326 -11.932 132 2HB LYS 18 2HB LYS 18 4.756 0.823 -11.775 133 1HG LYS 18 1HG LYS 18 3.322 1.366 -13.588 134 2HG LYS 18 2HG LYS 18 3.880 3.041 -13.615 135 1HD LYS 18 1HD LYS 18 6.182 2.192 -14.265 136 2HD LYS 18 2HD LYS 18 5.525 0.551 -14.330 137 1HE LYS 18 1HE LYS 18 4.722 2.948 -16.061 138 2HE LYS 18 2HE LYS 18 5.647 1.529 -16.587 139 1HZ LYS 18 1HZ LYS 18 3.360 1.319 -17.247 140 2HZ LYS 18 2HZ LYS 18 3.579 0.222 -16.035 141 3HZ LYS 18 3HZ LYS 18 2.822 1.649 -15.771 142 H ALA 19 H ALA 19 2.693 0.271 -10.724 143 HA ALA 19 HA ALA 19 0.460 0.448 -12.430 144 1HB ALA 19 1HB ALA 19 0.682 -1.055 -9.824 145 2HB ALA 19 2HB ALA 19 -0.480 -1.403 -11.120 146 3HB ALA 19 3HB ALA 19 1.259 -1.654 -11.414 147 H HIS 20 H HIS 20 0.549 0.937 -8.857 148 HA HIS 20 HA HIS 20 -2.221 1.644 -8.605 149 1HB HIS 20 1HB HIS 20 0.184 2.353 -6.871 150 2HB HIS 20 2HB HIS 20 -1.489 2.795 -6.513 151 HD1 HIS 20 HND HIS 20 0.054 -0.679 -7.396 152 HD2 HIS 20 HD HIS 20 -2.412 1.300 -4.648 153 HE1 HIS 20 HE HIS 20 -0.740 -2.432 -5.753 154 H ALA 21 H ALA 21 0.748 3.419 -9.383 155 HA ALA 21 HA ALA 21 -0.373 6.053 -9.179 156 1HB ALA 21 1HB ALA 21 1.479 6.858 -10.436 157 2HB ALA 21 2HB ALA 21 2.082 5.610 -9.309 158 3HB ALA 21 3HB ALA 21 1.901 5.264 -11.037 159 H GLU 22 H GLU 22 -0.009 3.981 -12.090 160 HA GLU 22 HA GLU 22 -1.303 6.009 -13.733 161 1HB GLU 22 1HB GLU 22 -1.053 4.462 -15.587 162 2HB GLU 22 2HB GLU 22 0.428 4.741 -14.669 163 1HG GLU 22 1HG GLU 22 -0.240 2.464 -13.467 164 2HG GLU 22 2HG GLU 22 -1.251 2.228 -14.894 165 H LYS 23 H LYS 23 -2.328 2.901 -12.309 166 HA LYS 23 HA LYS 23 -4.921 2.741 -13.359 167 1HB LYS 23 1HB LYS 23 -3.787 2.053 -10.614 168 2HB LYS 23 2HB LYS 23 -5.365 1.515 -11.171 169 1HG LYS 23 1HG LYS 23 -2.870 0.947 -12.848 170 2HG LYS 23 2HG LYS 23 -3.228 -0.050 -11.436 171 1HD LYS 23 1HD LYS 23 -5.079 0.500 -13.766 172 2HD LYS 23 2HD LYS 23 -4.042 -0.937 -13.587 173 1HE LYS 23 1HE LYS 23 -5.337 -1.005 -11.175 174 2HE LYS 23 2HE LYS 23 -6.607 -0.236 -12.133 175 1HZ LYS 23 1HZ LYS 23 -5.324 -2.868 -12.539 176 2HZ LYS 23 2HZ LYS 23 -6.749 -2.614 -11.970 177 3HZ LYS 23 3HZ LYS 23 -6.489 -2.252 -13.591 178 H LEU 24 H LEU 24 -3.893 4.317 -10.269 179 HA LEU 24 HA LEU 24 -6.557 5.521 -9.975 180 1HB LEU 24 1HB LEU 24 -3.983 5.738 -8.373 181 2HB LEU 24 2HB LEU 24 -5.474 6.587 -8.000 182 HG LEU 24 HG LEU 24 -4.989 4.588 -6.689 183 1HD1 LEU 24 1HD1 LEU 24 -7.649 4.612 -8.186 184 2HD1 LEU 24 2HD1 LEU 24 -7.372 3.829 -6.626 185 3HD1 LEU 24 3HD1 LEU 24 -7.226 5.591 -6.762 186 1HD2 LEU 24 1HD2 LEU 24 -4.208 2.972 -8.279 187 2HD2 LEU 24 2HD2 LEU 24 -5.596 2.358 -7.394 188 3HD2 LEU 24 3HD2 LEU 24 -5.815 2.911 -9.061 189 H GLY 25 H GLY 25 -3.195 6.788 -10.393 190 1HA GLY 25 1HA GLY 25 -3.294 8.860 -11.901 191 2HA GLY 25 2HA GLY 25 -4.229 9.575 -10.575 192 H CYS 26 H CYS 26 -3.214 9.382 -8.460 193 HA CYS 26 HA CYS 26 -0.561 8.938 -7.752 194 1HB CYS 26 1HB CYS 26 -0.421 11.073 -9.535 195 2HB CYS 26 2HB CYS 26 -0.728 11.907 -8.035 196 H ASP 27 H ASP 27 -3.232 11.149 -7.646 197 HA ASP 27 HA ASP 27 -3.362 12.417 -5.274 198 1HB ASP 27 1HB ASP 27 -5.780 10.945 -6.415 199 2HB ASP 27 2HB ASP 27 -5.698 12.549 -5.695 200 H ALA 28 H ALA 28 -4.271 9.167 -6.098 201 HA ALA 28 HA ALA 28 -5.356 7.877 -4.072 202 1HB ALA 28 1HB ALA 28 -2.853 7.092 -5.616 203 2HB ALA 28 2HB ALA 28 -3.808 5.938 -4.659 204 3HB ALA 28 3HB ALA 28 -4.543 6.778 -6.040 205 H CYS 29 H CYS 29 -1.890 8.677 -4.113 206 HA CYS 29 HA CYS 29 -1.694 8.112 -1.162 207 1HB CYS 29 1HB CYS 29 0.376 7.534 -3.253 208 2HB CYS 29 2HB CYS 29 0.410 7.069 -1.541 209 H HIS 30 H HIS 30 -0.762 10.245 -3.854 210 HA HIS 30 HA HIS 30 0.901 11.900 -1.989 211 1HB HIS 30 1HB HIS 30 1.164 11.404 -4.970 212 2HB HIS 30 2HB HIS 30 2.150 12.506 -4.024 213 HD1 HIS 30 HND HIS 30 3.430 11.054 -1.868 214 HD2 HIS 30 HD HIS 30 2.412 9.273 -5.471 215 HE1 HIS 30 HE HIS 30 5.072 9.013 -2.225 216 H GLU 31 H GLU 31 -1.186 12.895 -1.487 217 HA GLU 31 HA GLU 31 -2.820 14.158 -3.431 218 1HB GLU 31 1HB GLU 31 -2.534 15.371 -0.644 219 2HB GLU 31 2HB GLU 31 -3.939 15.207 -1.694 220 1HG GLU 31 1HG GLU 31 -3.697 12.695 -1.348 221 2HG GLU 31 2HG GLU 31 -2.554 13.054 -0.041 222 H GLY 32 H GLY 32 -0.525 15.599 -1.227 223 1HA GLY 32 1HA GLY 32 -0.465 18.191 -2.569 224 2HA GLY 32 2HA GLY 32 0.515 17.706 -1.176 225 H THR 33 H THR 33 2.139 15.797 -1.852 226 HA THR 33 HA THR 33 3.187 15.871 -4.500 227 HB THR 33 HB THR 33 4.150 17.993 -3.864 228 HG1 THR 33 HG1 THR 33 6.222 16.066 -3.521 229 1HG2 THR 33 1HG2 THR 33 5.287 16.660 -1.365 230 2HG2 THR 33 2HG2 THR 33 5.620 18.307 -1.929 231 3HG2 THR 33 3HG2 THR 33 3.988 17.874 -1.404 232 HA PRO 34 HA PRO 34 5.049 12.189 -2.501 233 1HB PRO 34 1HB PRO 34 6.930 11.582 -4.339 234 2HB PRO 34 2HB PRO 34 5.218 11.125 -4.520 235 1HG PRO 34 1HG PRO 34 6.660 13.349 -5.870 236 2HG PRO 34 2HG PRO 34 5.325 12.293 -6.463 237 1HD PRO 34 1HD PRO 34 5.007 14.895 -5.551 238 2HD PRO 34 2HD PRO 34 3.717 13.663 -5.571 239 H ALA 35 H ALA 35 6.901 11.825 -1.357 240 HA ALA 35 HA ALA 35 9.430 13.002 -1.673 241 1HB ALA 35 1HB ALA 35 9.500 14.489 0.327 242 2HB ALA 35 2HB ALA 35 8.424 15.135 -0.905 243 3HB ALA 35 3HB ALA 35 7.743 14.309 0.513 244 H LYS 36 H LYS 36 8.527 10.435 -1.350 245 HA LYS 36 HA LYS 36 8.561 8.529 -0.215 246 1HB LYS 36 1HB LYS 36 10.770 10.030 1.090 247 2HB LYS 36 2HB LYS 36 10.023 8.846 2.133 248 1HG LYS 36 1HG LYS 36 10.342 7.267 -0.074 249 2HG LYS 36 2HG LYS 36 11.571 8.481 -0.407 250 1HD LYS 36 1HD LYS 36 12.570 6.640 0.775 251 2HD LYS 36 2HD LYS 36 12.552 8.037 1.861 252 1HE LYS 36 1HE LYS 36 11.276 6.901 3.395 253 2HE LYS 36 2HE LYS 36 10.047 6.579 2.174 254 1HZ LYS 36 1HZ LYS 36 11.410 4.710 1.403 255 2HZ LYS 36 2HZ LYS 36 12.247 4.774 2.850 256 3HZ LYS 36 3HZ LYS 36 10.586 4.537 2.711 257 H ILE 37 H ILE 37 6.761 7.708 0.736 258 HA ILE 37 HA ILE 37 5.421 9.342 2.788 259 HB ILE 37 HB ILE 37 4.520 6.611 1.869 260 1HG1 ILE 37 1HG1 ILE 37 4.178 9.281 0.464 261 2HG1 ILE 37 2HG1 ILE 37 4.877 7.771 -0.156 262 1HG2 ILE 37 1HG2 ILE 37 3.470 7.708 3.882 263 2HG2 ILE 37 2HG2 ILE 37 3.004 9.071 2.848 264 3HG2 ILE 37 3HG2 ILE 37 2.332 7.452 2.565 265 1HD1 ILE 37 1HD1 ILE 37 2.610 6.692 0.075 266 2HD1 ILE 37 2HD1 ILE 37 1.945 8.293 0.472 267 3HD1 ILE 37 3HD1 ILE 37 2.673 8.002 -1.107 268 H ALA 38 H ALA 38 6.857 6.198 2.461 269 HA ALA 38 HA ALA 38 7.632 4.589 3.897 270 1HB ALA 38 1HB ALA 38 9.135 6.360 4.692 271 2HB ALA 38 2HB ALA 38 7.952 6.832 5.930 272 3HB ALA 38 3HB ALA 38 8.688 5.220 5.980 273 H ILE 39 H ILE 39 5.494 3.707 3.690 274 HA ILE 39 HA ILE 39 3.519 4.360 5.754 275 HB ILE 39 HB ILE 39 3.294 2.207 3.649 276 1HG1 ILE 39 1HG1 ILE 39 3.212 5.188 3.425 277 2HG1 ILE 39 2HG1 ILE 39 3.628 3.956 2.260 278 1HG2 ILE 39 1HG2 ILE 39 1.188 3.783 5.155 279 2HG2 ILE 39 2HG2 ILE 39 0.951 2.408 4.033 280 3HG2 ILE 39 3HG2 ILE 39 1.752 2.162 5.578 281 1HD1 ILE 39 1HD1 ILE 39 0.856 4.829 3.139 282 2HD1 ILE 39 2HD1 ILE 39 1.618 5.156 1.578 283 3HD1 ILE 39 3HD1 ILE 39 1.151 3.498 1.986 284 H ASP 40 H ASP 40 3.859 3.556 7.674 285 HA ASP 40 HA ASP 40 5.466 1.115 8.085 286 1HB ASP 40 1HB ASP 40 5.443 1.824 10.491 287 2HB ASP 40 2HB ASP 40 6.271 2.892 9.392 288 H LYS 41 H LYS 41 4.711 -0.351 9.709 289 HA LYS 41 HA LYS 41 2.286 -1.610 9.448 290 1HB LYS 41 1HB LYS 41 2.604 -2.299 11.886 291 2HB LYS 41 2HB LYS 41 3.825 -2.739 10.762 292 1HG LYS 41 1HG LYS 41 4.951 -0.384 11.669 293 2HG LYS 41 2HG LYS 41 3.971 -0.796 13.060 294 1HD LYS 41 1HD LYS 41 5.934 -2.657 11.606 295 2HD LYS 41 2HD LYS 41 6.432 -1.616 12.913 296 1HE LYS 41 1HE LYS 41 4.212 -3.697 13.224 297 2HE LYS 41 2HE LYS 41 5.922 -4.039 13.539 298 1HZ LYS 41 1HZ LYS 41 5.920 -2.332 15.190 299 2HZ LYS 41 2HZ LYS 41 4.323 -2.010 14.931 300 3HZ LYS 41 3HZ LYS 41 4.787 -3.473 15.531 301 H LYS 42 H LYS 42 3.004 0.949 11.763 302 HA LYS 42 HA LYS 42 0.666 1.324 13.131 303 1HB LYS 42 1HB LYS 42 2.951 2.269 13.487 304 2HB LYS 42 2HB LYS 42 2.702 3.308 12.094 305 1HG LYS 42 1HG LYS 42 0.684 4.285 13.409 306 2HG LYS 42 2HG LYS 42 1.335 3.337 14.757 307 1HD LYS 42 1HD LYS 42 2.452 5.327 15.151 308 2HD LYS 42 2HD LYS 42 3.637 4.541 14.111 309 1HE LYS 42 1HE LYS 42 1.570 6.658 13.302 310 2HE LYS 42 2HE LYS 42 3.315 6.886 13.489 311 1HZ LYS 42 1HZ LYS 42 3.646 5.341 11.634 312 2HZ LYS 42 2HZ LYS 42 2.037 5.250 11.368 313 3HZ LYS 42 3HZ LYS 42 2.801 6.670 11.190 314 H SER 43 H SER 43 1.549 2.826 9.902 315 HA SER 43 HA SER 43 -1.112 4.124 9.823 316 1HB SER 43 1HB SER 43 1.103 4.261 7.771 317 2HB SER 43 2HB SER 43 -0.251 5.375 8.031 318 HG SER 43 HG SER 43 2.107 4.953 9.444 319 H ALA 44 H ALA 44 0.829 1.876 7.903 320 HA ALA 44 HA ALA 44 -0.632 0.950 5.817 321 1HB ALA 44 1HB ALA 44 0.895 -0.700 7.848 322 2HB ALA 44 2HB ALA 44 0.491 -1.171 6.193 323 3HB ALA 44 3HB ALA 44 1.617 0.180 6.498 324 H HIS 45 H HIS 45 -0.858 -0.397 9.140 325 HA HIS 45 HA HIS 45 -3.413 -1.747 8.459 326 1HB HIS 45 1HB HIS 45 -1.317 -2.079 10.633 327 2HB HIS 45 2HB HIS 45 -2.930 -2.747 10.810 328 HD1 HIS 45 HND HIS 45 -3.779 -4.521 9.033 329 HD2 HIS 45 HD HIS 45 0.333 -3.608 9.034 330 HE1 HIS 45 HE HIS 45 -2.612 -6.392 7.788 331 H LYS 46 H LYS 46 -3.288 1.193 8.732 332 HA LYS 46 HA LYS 46 -5.524 1.367 10.694 333 1HB LYS 46 1HB LYS 46 -3.476 2.273 11.692 334 2HB LYS 46 2HB LYS 46 -3.285 3.416 10.368 335 1HG LYS 46 1HG LYS 46 -5.620 3.319 12.331 336 2HG LYS 46 2HG LYS 46 -4.195 4.371 12.447 337 1HD LYS 46 1HD LYS 46 -4.799 5.319 10.178 338 2HD LYS 46 2HD LYS 46 -6.343 4.436 10.308 339 1HE LYS 46 1HE LYS 46 -6.875 5.644 12.388 340 2HE LYS 46 2HE LYS 46 -5.398 6.614 12.202 341 1HZ LYS 46 1HZ LYS 46 -6.278 7.423 10.116 342 2HZ LYS 46 2HZ LYS 46 -7.561 6.438 10.200 343 3HZ LYS 46 3HZ LYS 46 -7.419 7.677 11.282 344 H ASP 47 H ASP 47 -3.870 3.465 8.293 345 HA ASP 47 HA ASP 47 -6.131 3.419 6.504 346 1HB ASP 47 1HB ASP 47 -5.653 5.928 8.138 347 2HB ASP 47 2HB ASP 47 -6.220 6.015 6.483 348 H ALA 48 H ALA 48 -4.399 2.470 5.378 349 HA ALA 48 HA ALA 48 -3.438 4.487 3.538 350 1HB ALA 48 1HB ALA 48 -1.452 4.539 4.870 351 2HB ALA 48 2HB ALA 48 -1.411 2.785 5.041 352 3HB ALA 48 3HB ALA 48 -1.096 3.530 3.454 353 H CYS 49 H CYS 49 -2.300 1.110 3.998 354 HA CYS 49 HA CYS 49 -3.182 0.453 1.342 355 1HB CYS 49 1HB CYS 49 -2.475 -1.536 3.470 356 2HB CYS 49 2HB CYS 49 -2.311 -1.695 1.724 357 H LYS 50 H LYS 50 -4.280 -0.896 4.507 358 HA LYS 50 HA LYS 50 -6.380 -2.357 3.364 359 1HB LYS 50 1HB LYS 50 -5.714 -1.495 6.156 360 2HB LYS 50 2HB LYS 50 -7.315 -2.139 5.873 361 1HG LYS 50 1HG LYS 50 -4.697 -3.565 5.280 362 2HG LYS 50 2HG LYS 50 -5.775 -3.868 6.637 363 1HD LYS 50 1HD LYS 50 -6.342 -4.475 3.699 364 2HD LYS 50 2HD LYS 50 -6.028 -5.618 4.994 365 1HE LYS 50 1HE LYS 50 -8.143 -5.060 6.103 366 2HE LYS 50 2HE LYS 50 -8.468 -3.784 4.914 367 1HZ LYS 50 1HZ LYS 50 -8.288 -6.652 4.188 368 2HZ LYS 50 2HZ LYS 50 -9.665 -5.768 4.409 369 3HZ LYS 50 3HZ LYS 50 -8.646 -5.338 3.217 370 H THR 51 H THR 51 -6.424 1.088 4.014 371 HA THR 51 HA THR 51 -9.320 1.161 4.220 372 HB THR 51 HB THR 51 -7.699 2.719 5.304 373 HG1 THR 51 HG1 THR 51 -9.154 4.180 5.477 374 1HG2 THR 51 1HG2 THR 51 -7.892 4.231 2.654 375 2HG2 THR 51 2HG2 THR 51 -7.118 4.789 4.146 376 3HG2 THR 51 3HG2 THR 51 -6.427 3.427 3.250 377 H CYS 52 H CYS 52 -6.974 1.248 1.580 378 HA CYS 52 HA CYS 52 -9.148 1.795 -0.406 379 1HB CYS 52 1HB CYS 52 -6.216 1.101 -0.539 380 2HB CYS 52 2HB CYS 52 -7.321 0.745 -1.876 381 H HIS 53 H HIS 53 -6.956 -0.778 0.702 382 HA HIS 53 HA HIS 53 -8.357 -2.906 -0.662 383 1HB HIS 53 1HB HIS 53 -6.070 -2.721 1.328 384 2HB HIS 53 2HB HIS 53 -6.747 -4.262 0.828 385 HD1 HIS 53 HND HIS 53 -5.086 -5.314 -0.558 386 HD2 HIS 53 HD HIS 53 -5.273 -1.174 -1.248 387 HE1 HIS 53 HE HIS 53 -3.358 -4.771 -2.327 388 H LYS 54 H LYS 54 -10.298 -1.618 0.840 389 HA LYS 54 HA LYS 54 -10.699 -2.889 3.438 390 1HB LYS 54 1HB LYS 54 -11.791 -0.639 1.925 391 2HB LYS 54 2HB LYS 54 -13.111 -1.639 2.524 392 1HG LYS 54 1HG LYS 54 -12.499 -1.344 4.791 393 2HG LYS 54 2HG LYS 54 -10.859 -0.826 4.371 394 1HD LYS 54 1HD LYS 54 -11.725 1.218 3.342 395 2HD LYS 54 2HD LYS 54 -13.374 0.800 3.817 396 1HE LYS 54 1HE LYS 54 -12.904 1.139 6.126 397 2HE LYS 54 2HE LYS 54 -11.158 0.939 5.908 398 1HZ LYS 54 1HZ LYS 54 -11.757 3.224 6.281 399 2HZ LYS 54 2HZ LYS 54 -11.009 3.028 4.853 400 3HZ LYS 54 3HZ LYS 54 -12.644 3.267 4.892 401 H SER 55 H SER 55 -12.323 -2.954 0.259 402 HA SER 55 HA SER 55 -12.986 -5.818 0.623 403 1HB SER 55 1HB SER 55 -14.952 -4.301 1.336 404 2HB SER 55 2HB SER 55 -15.053 -3.805 -0.361 405 HG SER 55 HG SER 55 -15.209 -6.477 0.631 406 H ASN 56 H ASN 56 -10.973 -5.633 -0.725 407 HA ASN 56 HA ASN 56 -11.583 -5.073 -3.609 408 1HB ASN 56 1HB ASN 56 -8.985 -4.711 -2.063 409 2HB ASN 56 2HB ASN 56 -9.095 -4.796 -3.825 410 1HD2 ASN 56 1HD2 ASN 56 -8.076 -2.661 -3.757 411 2HD2 ASN 56 2HD2 ASN 56 -9.112 -1.257 -3.501 412 H ASN 57 H ASN 57 -11.303 -6.765 -4.874 413 HA ASN 57 HA ASN 57 -11.085 -8.905 -5.567 414 1HB ASN 57 1HB ASN 57 -8.655 -8.991 -3.718 415 2HB ASN 57 2HB ASN 57 -9.020 -10.139 -5.000 416 1HD2 ASN 57 1HD2 ASN 57 -7.233 -7.364 -4.365 417 2HD2 ASN 57 2HD2 ASN 57 -7.004 -6.881 -6.035 418 H GLY 58 H GLY 58 -10.754 -11.312 -4.718 419 1HA GLY 58 1HA GLY 58 -12.900 -11.897 -2.916 420 2HA GLY 58 2HA GLY 58 -11.715 -13.042 -3.552 421 HA PRO 59 HA PRO 59 -9.584 -13.018 0.367 422 1HB PRO 59 1HB PRO 59 -6.907 -12.566 -0.131 423 2HB PRO 59 2HB PRO 59 -7.753 -14.090 -0.522 424 1HG PRO 59 1HG PRO 59 -7.206 -11.761 -2.377 425 2HG PRO 59 2HG PRO 59 -6.890 -13.497 -2.677 426 1HD PRO 59 1HD PRO 59 -9.101 -12.298 -3.627 427 2HD PRO 59 2HD PRO 59 -9.219 -13.945 -2.956 428 H THR 60 H THR 60 -8.405 -11.604 1.896 429 HA THR 60 HA THR 60 -8.466 -8.742 1.572 430 HB THR 60 HB THR 60 -11.062 -10.155 1.952 431 HG1 THR 60 HG1 THR 60 -10.409 -8.826 0.149 432 1HG2 THR 60 1HG2 THR 60 -10.958 -9.108 4.188 433 2HG2 THR 60 2HG2 THR 60 -10.589 -7.540 3.417 434 3HG2 THR 60 3HG2 THR 60 -12.140 -8.330 3.128 435 H LYS 61 H LYS 61 -8.587 -11.507 3.807 436 HA LYS 61 HA LYS 61 -7.720 -10.048 6.119 437 1HB LYS 61 1HB LYS 61 -7.451 -12.983 5.323 438 2HB LYS 61 2HB LYS 61 -7.036 -12.304 6.910 439 1HG LYS 61 1HG LYS 61 -9.403 -11.564 7.179 440 2HG LYS 61 2HG LYS 61 -9.802 -12.324 5.626 441 1HD LYS 61 1HD LYS 61 -8.985 -14.519 6.518 442 2HD LYS 61 2HD LYS 61 -8.670 -13.740 8.083 443 1HE LYS 61 1HE LYS 61 -11.104 -13.140 8.248 444 2HE LYS 61 2HE LYS 61 -11.400 -13.959 6.705 445 1HZ LYS 61 1HZ LYS 61 -11.944 -15.353 8.555 446 2HZ LYS 61 2HZ LYS 61 -10.687 -16.015 7.736 447 3HZ LYS 61 3HZ LYS 61 -10.426 -15.252 9.171 448 H CYS 62 H CYS 62 -5.501 -12.581 5.038 449 HA CYS 62 HA CYS 62 -3.407 -10.513 4.678 450 1HB CYS 62 1HB CYS 62 -2.723 -13.266 5.531 451 2HB CYS 62 2HB CYS 62 -1.859 -11.734 5.774 452 H GLY 63 H GLY 63 -1.359 -12.001 3.750 453 1HA GLY 63 1HA GLY 63 -0.555 -13.187 1.927 454 2HA GLY 63 2HA GLY 63 -2.207 -13.535 1.401 455 H GLY 64 H GLY 64 -3.188 -10.910 1.299 456 1HA GLY 64 1HA GLY 64 -2.876 -10.029 -1.221 457 2HA GLY 64 2HA GLY 64 -3.250 -8.950 0.136 458 H CYS 65 H CYS 65 -0.582 -9.277 1.361 459 HA CYS 65 HA CYS 65 0.981 -7.461 -0.443 460 1HB CYS 65 1HB CYS 65 0.352 -7.038 2.461 461 2HB CYS 65 2HB CYS 65 1.202 -5.911 1.402 462 H HIS 66 H HIS 66 1.073 -9.135 2.748 463 HA HIS 66 HA HIS 66 3.945 -9.326 2.801 464 1HB HIS 66 1HB HIS 66 1.839 -10.998 4.230 465 2HB HIS 66 2HB HIS 66 3.554 -11.061 4.542 466 HD1 HIS 66 HND HIS 66 4.679 -8.644 5.493 467 HD2 HIS 66 HD HIS 66 0.477 -9.028 5.477 468 HE1 HIS 66 HE HIS 66 3.701 -6.809 7.006 469 H ILE 67 H ILE 67 5.139 -10.580 1.405 470 HA ILE 67 HA ILE 67 3.907 -12.957 0.137 471 HB ILE 67 HB ILE 67 6.781 -12.002 -0.028 472 1HG1 ILE 67 1HG1 ILE 67 5.481 -10.125 -0.754 473 2HG1 ILE 67 2HG1 ILE 67 6.140 -10.939 -2.168 474 1HG2 ILE 67 1HG2 ILE 67 5.085 -13.804 -1.819 475 2HG2 ILE 67 2HG2 ILE 67 6.717 -13.223 -2.205 476 3HG2 ILE 67 3HG2 ILE 67 6.464 -14.299 -0.831 477 1HD1 ILE 67 1HD1 ILE 67 3.918 -11.998 -2.595 478 2HD1 ILE 67 2HD1 ILE 67 3.254 -11.137 -1.186 479 3HD1 ILE 67 3HD1 ILE 67 3.846 -10.232 -2.579 480 H LYS 68 H LYS 68 3.430 -13.529 2.589 481 HA LYS 68 HA LYS 68 4.995 -15.797 3.141 482 1HB LYS 68 1HB LYS 68 6.231 -13.602 4.256 483 2HB LYS 68 2HB LYS 68 5.041 -13.927 5.512 484 1HG LYS 68 1HG LYS 68 7.245 -15.736 4.456 485 2HG LYS 68 2HG LYS 68 7.089 -15.031 6.078 486 1HD LYS 68 1HD LYS 68 4.963 -16.402 6.368 487 2HD LYS 68 2HD LYS 68 5.338 -17.194 4.828 488 1HE LYS 68 1HE LYS 68 7.549 -17.927 5.778 489 2HE LYS 68 2HE LYS 68 7.022 -17.302 7.354 490 1HZ LYS 68 1HZ LYS 68 5.665 -19.391 5.771 491 2HZ LYS 68 2HZ LYS 68 6.555 -19.644 7.133 492 3HZ LYS 68 3HZ LYS 68 5.133 -18.813 7.211 493 HHA HEC 69 HCM HEC 69 8.618 7.278 -2.321 494 HHB HEC 69 HDM HEC 69 6.752 10.466 -7.422 495 HHC HEC 69 HAM HEC 69 1.287 7.140 -7.594 496 HHD HEC 69 HBM HEC 69 2.834 4.571 -1.966 497 1HMA HEC 69 HM81 HEC 69 10.153 10.787 -5.861 498 2HMA HEC 69 HM82 HEC 69 9.197 10.390 -7.289 499 3HMA HEC 69 HM83 HEC 69 8.661 11.686 -6.190 500 1HAA HEC 69 HP71 HEC 69 10.262 10.354 -3.609 501 2HAA HEC 69 HP72 HEC 69 9.979 9.000 -2.543 502 1HBA HEC 69 HP73 HEC 69 11.106 7.477 -4.029 503 2HBA HEC 69 HP74 HEC 69 11.190 8.697 -5.308 504 1HMB HEC 69 HM11 HEC 69 4.699 10.134 -10.488 505 2HMB HEC 69 HM12 HEC 69 4.503 11.471 -9.316 506 3HMB HEC 69 HM13 HEC 69 6.033 10.578 -9.457 507 HAB HEC 69 HT2A HEC 69 1.186 8.660 -9.107 508 1HBB HEC 69 HT21 HEC 69 2.614 9.213 -11.130 509 2HBB HEC 69 HT22 HEC 69 1.094 10.084 -10.970 510 3HBB HEC 69 HT23 HEC 69 2.582 10.908 -10.556 511 1HMC HEC 69 HM31 HEC 69 -0.154 4.930 -6.952 512 2HMC HEC 69 HM32 HEC 69 -1.115 5.121 -5.484 513 3HMC HEC 69 HM33 HEC 69 -0.678 6.543 -6.427 514 HAC HEC 69 HT4A HEC 69 0.778 4.466 -2.124 515 1HBC HEC 69 HT41 HEC 69 0.716 2.519 -3.679 516 2HBC HEC 69 HT42 HEC 69 -0.747 2.726 -2.699 517 3HBC HEC 69 HT43 HEC 69 -0.750 3.200 -4.399 518 1HMD HEC 69 HM51 HEC 69 5.369 4.637 0.821 519 2HMD HEC 69 HM52 HEC 69 3.755 4.667 0.094 520 3HMD HEC 69 HM53 HEC 69 4.878 3.353 -0.314 521 1HAD HEC 69 HP61 HEC 69 8.693 5.799 -0.816 522 2HAD HEC 69 HP62 HEC 69 7.589 5.895 0.550 523 1HBD HEC 69 HP63 HEC 69 7.234 3.455 0.382 524 2HBD HEC 69 HP64 HEC 69 8.265 3.413 -1.061 525 HHA HEC 70 HCM HEC 70 -3.565 -5.012 -6.468 526 HHB HEC 70 HDM HEC 70 0.512 -4.245 -1.585 527 HHC HEC 70 HAM HEC 70 -2.028 1.492 -0.415 528 HHD HEC 70 HBM HEC 70 -6.356 0.509 -4.968 529 1HMA HEC 70 HM81 HEC 70 0.203 -7.370 -3.660 530 2HMA HEC 70 HM82 HEC 70 1.422 -6.136 -4.040 531 3HMA HEC 70 HM83 HEC 70 0.764 -6.286 -2.400 532 1HAA HEC 70 HP71 HEC 70 -1.851 -6.484 -6.755 533 2HAA HEC 70 HP72 HEC 70 -0.645 -7.306 -5.791 534 1HBA HEC 70 HP73 HEC 70 -2.373 -8.088 -4.222 535 2HBA HEC 70 HP74 HEC 70 -3.610 -7.214 -5.136 536 1HMB HEC 70 HM11 HEC 70 0.908 -2.416 1.630 537 2HMB HEC 70 HM12 HEC 70 0.976 -3.735 0.480 538 3HMB HEC 70 HM13 HEC 70 2.069 -2.342 0.303 539 HAB HEC 70 HT2A HEC 70 -0.630 1.188 1.047 540 1HBB HEC 70 HT21 HEC 70 1.641 1.135 0.176 541 2HBB HEC 70 HT22 HEC 70 1.621 1.276 1.945 542 3HBB HEC 70 HT23 HEC 70 2.006 -0.261 1.190 543 1HMC HEC 70 HM31 HEC 70 -4.163 3.130 -0.228 544 2HMC HEC 70 HM32 HEC 70 -2.771 3.564 -1.251 545 3HMC HEC 70 HM33 HEC 70 -4.385 4.136 -1.656 546 HAC HEC 70 HT4A HEC 70 -7.040 2.094 -3.735 547 1HBC HEC 70 HT41 HEC 70 -6.972 4.414 -4.255 548 2HBC HEC 70 HT42 HEC 70 -5.348 4.594 -3.562 549 3HBC HEC 70 HT43 HEC 70 -5.596 3.543 -4.976 550 1HMD HEC 70 HM51 HEC 70 -7.204 -1.527 -7.985 551 2HMD HEC 70 HM52 HEC 70 -7.987 -1.175 -6.426 552 3HMD HEC 70 HM53 HEC 70 -6.808 -0.038 -7.127 553 1HAD HEC 70 HP61 HEC 70 -5.643 -4.924 -7.494 554 2HAD HEC 70 HP62 HEC 70 -6.760 -3.690 -8.029 555 1HBD HEC 70 HP63 HEC 70 -4.464 -2.545 -8.884 556 2HBD HEC 70 HP64 HEC 70 -3.932 -4.229 -8.901 557 HHA HEC 71 HCM HEC 71 4.098 -4.371 9.042 558 HHB HEC 71 HDM HEC 71 0.433 -9.110 11.040 559 HHC HEC 71 HAM HEC 71 -2.869 -8.819 5.590 560 HHD HEC 71 HBM HEC 71 0.519 -3.791 3.756 561 1HMA HEC 71 HM81 HEC 71 1.575 -7.854 13.023 562 2HMA HEC 71 HM82 HEC 71 2.594 -9.048 12.180 563 3HMA HEC 71 HM83 HEC 71 3.337 -7.666 12.982 564 1HAA HEC 71 HP71 HEC 71 4.766 -4.782 11.037 565 2HAA HEC 71 HP72 HEC 71 4.400 -5.828 12.402 566 1HBA HEC 71 HP73 HEC 71 5.175 -7.728 11.221 567 2HBA HEC 71 HP74 HEC 71 5.523 -6.746 9.759 568 1HMB HEC 71 HM11 HEC 71 -1.975 -10.481 11.126 569 2HMB HEC 71 HM12 HEC 71 -2.033 -11.766 9.892 570 3HMB HEC 71 HM13 HEC 71 -0.477 -11.243 10.541 571 HAB HEC 71 HT2A HEC 71 -4.035 -9.854 7.033 572 1HBB HEC 71 HT21 HEC 71 -4.499 -9.101 9.316 573 2HBB HEC 71 HT22 HEC 71 -5.474 -10.484 8.787 574 3HBB HEC 71 HT23 HEC 71 -4.135 -10.735 9.912 575 1HMC HEC 71 HM31 HEC 71 -3.099 -7.377 2.216 576 2HMC HEC 71 HM32 HEC 71 -2.770 -8.732 3.289 577 3HMC HEC 71 HM33 HEC 71 -4.055 -7.578 3.705 578 HAC HEC 71 HT4A HEC 71 -1.010 -4.048 2.357 579 1HBC HEC 71 HT41 HEC 71 -3.135 -3.866 1.257 580 2HBC HEC 71 HT42 HEC 71 -3.778 -5.257 2.138 581 3HBC HEC 71 HT43 HEC 71 -3.346 -3.784 3.020 582 1HMD HEC 71 HM51 HEC 71 1.504 -1.736 4.187 583 2HMD HEC 71 HM52 HEC 71 3.056 -1.200 4.830 584 3HMD HEC 71 HM53 HEC 71 3.003 -2.473 3.609 585 1HAD HEC 71 HP61 HEC 71 5.144 -2.485 5.954 586 2HAD HEC 71 HP62 HEC 71 4.137 -1.324 6.807 587 1HBD HEC 71 HP63 HEC 71 4.636 -2.437 8.886 588 2HBD HEC 71 HP64 HEC 71 5.822 -3.488 8.084 Start of MODEL 4 1 1H ALA 1 1H ALA 1 9.813 3.660 -6.657 2 2H ALA 1 2H ALA 1 10.917 4.877 -6.952 3 3H ALA 1 3H ALA 1 9.415 4.885 -7.663 4 HA ALA 1 HA ALA 1 10.843 4.114 -9.326 5 1HB ALA 1 1HB ALA 1 12.747 3.502 -7.851 6 2HB ALA 1 2HB ALA 1 11.818 2.121 -7.221 7 3HB ALA 1 3HB ALA 1 12.310 2.159 -8.925 8 H ASP 2 H ASP 2 10.133 2.368 -10.745 9 HA ASP 2 HA ASP 2 7.677 1.284 -10.531 10 1HB ASP 2 1HB ASP 2 10.094 0.067 -11.931 11 2HB ASP 2 2HB ASP 2 8.395 -0.172 -12.351 12 H VAL 3 H VAL 3 7.271 0.439 -8.508 13 HA VAL 3 HA VAL 3 6.723 -1.282 -7.172 14 HB VAL 3 HB VAL 3 8.831 -3.094 -8.404 15 1HG1 VAL 3 1HG1 VAL 3 8.037 -3.801 -6.197 16 2HG1 VAL 3 2HG1 VAL 3 6.350 -3.673 -6.738 17 3HG1 VAL 3 3HG1 VAL 3 7.431 -4.877 -7.458 18 1HG2 VAL 3 1HG2 VAL 3 7.299 -2.514 -10.235 19 2HG2 VAL 3 2HG2 VAL 3 6.928 -4.135 -9.654 20 3HG2 VAL 3 3HG2 VAL 3 5.895 -2.778 -9.190 21 H VAL 4 H VAL 4 7.319 -1.468 -5.050 22 HA VAL 4 HA VAL 4 10.193 -1.345 -4.324 23 HB VAL 4 HB VAL 4 8.021 0.480 -3.259 24 1HG1 VAL 4 1HG1 VAL 4 10.830 -0.024 -2.144 25 2HG1 VAL 4 2HG1 VAL 4 9.778 1.315 -1.650 26 3HG1 VAL 4 3HG1 VAL 4 9.315 -0.339 -1.292 27 1HG2 VAL 4 1HG2 VAL 4 10.733 1.051 -4.484 28 2HG2 VAL 4 2HG2 VAL 4 9.149 1.356 -5.237 29 3HG2 VAL 4 3HG2 VAL 4 9.634 2.266 -3.793 30 H THR 5 H THR 5 10.498 -2.196 -2.123 31 HA THR 5 HA THR 5 8.060 -3.040 -0.883 32 HB THR 5 HB THR 5 8.859 -5.198 -1.676 33 HG1 THR 5 HG1 THR 5 8.324 -4.846 0.546 34 1HG2 THR 5 1HG2 THR 5 11.164 -6.045 -1.128 35 2HG2 THR 5 2HG2 THR 5 11.098 -4.788 -2.371 36 3HG2 THR 5 3HG2 THR 5 11.616 -4.373 -0.732 37 H TYR 6 H TYR 6 7.952 -2.901 1.236 38 HA TYR 6 HA TYR 6 9.691 -1.113 2.630 39 1HB TYR 6 1HB TYR 6 7.620 -2.997 3.741 40 2HB TYR 6 2HB TYR 6 8.295 -1.590 4.568 41 HD1 TYR 6 HD1 TYR 6 8.140 0.595 2.657 42 HD2 TYR 6 HD2 TYR 6 5.308 -2.553 3.452 43 HE1 TYR 6 HE1 TYR 6 6.435 1.774 1.365 44 HE2 TYR 6 HE2 TYR 6 3.623 -1.371 2.072 45 HH TYR 6 HH TYR 6 4.458 1.104 -0.015 46 H GLU 7 H GLU 7 9.991 -4.527 2.058 47 HA GLU 7 HA GLU 7 10.949 -6.251 3.131 48 1HB GLU 7 1HB GLU 7 13.081 -4.232 3.513 49 2HB GLU 7 2HB GLU 7 13.242 -6.001 3.604 50 1HG GLU 7 1HG GLU 7 12.296 -6.005 1.171 51 2HG GLU 7 2HG GLU 7 12.668 -4.262 1.189 52 H ASN 8 H ASN 8 9.506 -6.437 4.806 53 HA ASN 8 HA ASN 8 10.353 -5.555 7.536 54 1HB ASN 8 1HB ASN 8 7.653 -6.756 7.077 55 2HB ASN 8 2HB ASN 8 8.157 -5.454 8.163 56 1HD2 ASN 8 1HD2 ASN 8 6.429 -6.108 5.387 57 2HD2 ASN 8 2HD2 ASN 8 6.527 -4.514 4.649 58 H LYS 9 H LYS 9 9.524 -7.276 9.290 59 HA LYS 9 HA LYS 9 11.228 -9.560 8.753 60 1HB LYS 9 1HB LYS 9 10.207 -8.222 11.071 61 2HB LYS 9 2HB LYS 9 9.547 -9.842 11.128 62 1HG LYS 9 1HG LYS 9 11.604 -9.950 12.305 63 2HG LYS 9 2HG LYS 9 11.868 -10.751 10.756 64 1HD LYS 9 1HD LYS 9 13.793 -9.420 11.113 65 2HD LYS 9 2HD LYS 9 12.855 -8.530 9.906 66 1HE LYS 9 1HE LYS 9 11.933 -7.083 11.798 67 2HE LYS 9 2HE LYS 9 13.001 -7.953 12.910 68 1HZ LYS 9 1HZ LYS 9 14.865 -7.131 11.601 69 2HZ LYS 9 2HZ LYS 9 13.836 -6.315 10.604 70 3HZ LYS 9 3HZ LYS 9 13.951 -5.896 12.187 71 H LYS 10 H LYS 10 7.866 -8.988 8.272 72 HA LYS 10 HA LYS 10 6.960 -11.694 8.630 73 1HB LYS 10 1HB LYS 10 5.806 -9.477 6.905 74 2HB LYS 10 2HB LYS 10 4.927 -10.928 7.391 75 1HG LYS 10 1HG LYS 10 6.026 -8.906 9.380 76 2HG LYS 10 2HG LYS 10 4.481 -8.690 8.570 77 1HD LYS 10 1HD LYS 10 4.064 -9.565 10.710 78 2HD LYS 10 2HD LYS 10 3.604 -10.776 9.511 79 1HE LYS 10 1HE LYS 10 5.448 -12.179 10.083 80 2HE LYS 10 2HE LYS 10 6.339 -10.846 10.863 81 1HZ LYS 10 1HZ LYS 10 3.900 -12.127 11.895 82 2HZ LYS 10 2HZ LYS 10 5.430 -12.375 12.439 83 3HZ LYS 10 3HZ LYS 10 4.732 -10.903 12.626 84 H GLY 11 H GLY 11 7.535 -9.846 5.624 85 1HA GLY 11 1HA GLY 11 8.659 -11.852 4.012 86 2HA GLY 11 2HA GLY 11 6.898 -12.093 3.965 87 H ASN 12 H ASN 12 9.274 -9.536 3.887 88 HA ASN 12 HA ASN 12 9.084 -7.326 3.005 89 1HB ASN 12 1HB ASN 12 9.655 -9.047 0.628 90 2HB ASN 12 2HB ASN 12 10.366 -7.490 1.025 91 1HD2 ASN 12 1HD2 ASN 12 10.970 -8.219 3.945 92 2HD2 ASN 12 2HD2 ASN 12 12.289 -9.346 3.778 93 H VAL 13 H VAL 13 7.249 -6.292 2.887 94 HA VAL 13 HA VAL 13 4.944 -7.077 1.327 95 HB VAL 13 HB VAL 13 5.767 -4.574 2.791 96 1HG1 VAL 13 1HG1 VAL 13 3.462 -3.742 2.442 97 2HG1 VAL 13 2HG1 VAL 13 4.385 -3.718 0.964 98 3HG1 VAL 13 3HG1 VAL 13 3.181 -5.007 1.231 99 1HG2 VAL 13 1HG2 VAL 13 4.028 -5.213 4.353 100 2HG2 VAL 13 2HG2 VAL 13 3.435 -6.488 3.263 101 3HG2 VAL 13 3HG2 VAL 13 5.020 -6.651 4.037 102 H THR 14 H THR 14 5.099 -7.127 -0.819 103 HA THR 14 HA THR 14 6.730 -5.181 -2.327 104 HB THR 14 HB THR 14 5.035 -7.556 -3.202 105 HG1 THR 14 HG1 THR 14 6.940 -7.912 -1.772 106 1HG2 THR 14 1HG2 THR 14 5.453 -5.981 -5.065 107 2HG2 THR 14 2HG2 THR 14 7.189 -5.956 -4.664 108 3HG2 THR 14 3HG2 THR 14 6.428 -7.448 -5.253 109 H PHE 15 H PHE 15 5.847 -3.327 -3.146 110 HA PHE 15 HA PHE 15 2.910 -3.238 -3.583 111 1HB PHE 15 1HB PHE 15 2.660 -1.109 -2.590 112 2HB PHE 15 2HB PHE 15 3.364 -2.190 -1.412 113 HD1 PHE 15 HD1 PHE 15 5.816 -2.041 -0.876 114 HD2 PHE 15 HD2 PHE 15 3.725 0.962 -3.165 115 HE1 PHE 15 HE1 PHE 15 7.446 -0.323 -0.145 116 HE2 PHE 15 HE2 PHE 15 5.379 2.668 -2.433 117 HZ PHE 15 HZ PHE 15 7.259 1.987 -0.936 118 H ASP 16 H ASP 16 2.807 -3.201 -5.698 119 HA ASP 16 HA ASP 16 4.708 -2.148 -7.413 120 1HB ASP 16 1HB ASP 16 1.799 -2.824 -7.919 121 2HB ASP 16 2HB ASP 16 3.079 -2.630 -9.144 122 H HIS 17 H HIS 17 5.050 -0.136 -6.405 123 HA HIS 17 HA HIS 17 3.708 2.133 -6.166 124 1HB HIS 17 1HB HIS 17 6.336 1.460 -6.323 125 2HB HIS 17 2HB HIS 17 6.241 2.391 -7.806 126 HD1 HIS 17 HND HIS 17 7.752 3.015 -4.953 127 HD2 HIS 17 HD HIS 17 4.221 4.721 -6.459 128 HE1 HIS 17 HE HIS 17 7.494 5.273 -3.822 129 H LYS 18 H LYS 18 5.209 1.400 -9.341 130 HA LYS 18 HA LYS 18 3.981 3.478 -10.769 131 1HB LYS 18 1HB LYS 18 5.940 2.516 -11.667 132 2HB LYS 18 2HB LYS 18 5.274 0.867 -11.642 133 1HG LYS 18 1HG LYS 18 3.704 1.361 -13.355 134 2HG LYS 18 2HG LYS 18 4.035 3.103 -13.272 135 1HD LYS 18 1HD LYS 18 6.329 2.679 -14.099 136 2HD LYS 18 2HD LYS 18 5.981 0.950 -14.231 137 1HE LYS 18 1HE LYS 18 4.506 3.226 -15.666 138 2HE LYS 18 2HE LYS 18 5.751 2.223 -16.421 139 1HZ LYS 18 1HZ LYS 18 3.362 0.928 -15.277 140 2HZ LYS 18 2HZ LYS 18 3.161 1.729 -16.595 141 3HZ LYS 18 3HZ LYS 18 4.262 0.469 -16.580 142 H ALA 19 H ALA 19 3.122 0.000 -10.706 143 HA ALA 19 HA ALA 19 0.879 -0.020 -12.323 144 1HB ALA 19 1HB ALA 19 1.172 -1.377 -9.649 145 2HB ALA 19 2HB ALA 19 0.089 -1.898 -10.954 146 3HB ALA 19 3HB ALA 19 1.858 -2.004 -11.178 147 H HIS 20 H HIS 20 0.879 0.547 -8.769 148 HA HIS 20 HA HIS 20 -1.882 1.167 -8.454 149 1HB HIS 20 1HB HIS 20 0.648 1.963 -6.949 150 2HB HIS 20 2HB HIS 20 -0.917 2.624 -6.514 151 HD1 HIS 20 HND HIS 20 0.809 -0.797 -6.650 152 HD2 HIS 20 HD HIS 20 -2.542 1.184 -5.062 153 HE1 HIS 20 HE HIS 20 -0.298 -2.406 -4.979 154 H ALA 21 H ALA 21 0.977 3.099 -9.239 155 HA ALA 21 HA ALA 21 -0.325 5.650 -9.106 156 1HB ALA 21 1HB ALA 21 2.130 5.393 -9.091 157 2HB ALA 21 2HB ALA 21 2.099 4.936 -10.798 158 3HB ALA 21 3HB ALA 21 1.547 6.546 -10.328 159 H GLU 22 H GLU 22 0.265 3.591 -11.973 160 HA GLU 22 HA GLU 22 -0.946 5.567 -13.728 161 1HB GLU 22 1HB GLU 22 -0.484 4.071 -15.545 162 2HB GLU 22 2HB GLU 22 0.911 4.204 -14.473 163 1HG GLU 22 1HG GLU 22 0.054 1.988 -13.411 164 2HG GLU 22 2HG GLU 22 -0.954 1.843 -14.858 165 H LYS 23 H LYS 23 -2.037 2.529 -12.202 166 HA LYS 23 HA LYS 23 -4.559 2.492 -13.573 167 1HB LYS 23 1HB LYS 23 -3.668 1.246 -10.944 168 2HB LYS 23 2HB LYS 23 -5.159 0.837 -11.792 169 1HG LYS 23 1HG LYS 23 -2.383 0.579 -13.065 170 2HG LYS 23 2HG LYS 23 -3.091 -0.712 -12.127 171 1HD LYS 23 1HD LYS 23 -4.783 0.459 -14.336 172 2HD LYS 23 2HD LYS 23 -3.315 -0.379 -14.828 173 1HE LYS 23 1HE LYS 23 -5.276 -1.930 -14.763 174 2HE LYS 23 2HE LYS 23 -3.969 -2.414 -13.672 175 1HZ LYS 23 1HZ LYS 23 -5.188 -1.367 -11.852 176 2HZ LYS 23 2HZ LYS 23 -6.485 -1.100 -12.841 177 3HZ LYS 23 3HZ LYS 23 -5.930 -2.612 -12.424 178 H LEU 24 H LEU 24 -3.699 3.607 -10.221 179 HA LEU 24 HA LEU 24 -6.300 4.740 -9.760 180 1HB LEU 24 1HB LEU 24 -3.601 5.073 -8.373 181 2HB LEU 24 2HB LEU 24 -5.108 5.743 -7.821 182 HG LEU 24 HG LEU 24 -6.004 3.843 -7.186 183 1HD1 LEU 24 1HD1 LEU 24 -5.502 1.564 -7.556 184 2HD1 LEU 24 2HD1 LEU 24 -5.951 2.355 -9.071 185 3HD1 LEU 24 3HD1 LEU 24 -4.237 1.970 -8.735 186 1HD2 LEU 24 1HD2 LEU 24 -4.331 2.602 -5.805 187 2HD2 LEU 24 2HD2 LEU 24 -3.046 3.175 -6.872 188 3HD2 LEU 24 3HD2 LEU 24 -3.916 4.320 -5.852 189 H GLY 25 H GLY 25 -3.021 6.267 -10.236 190 1HA GLY 25 1HA GLY 25 -3.322 8.282 -11.810 191 2HA GLY 25 2HA GLY 25 -4.267 8.947 -10.455 192 H CYS 26 H CYS 26 -3.191 8.992 -8.360 193 HA CYS 26 HA CYS 26 -0.537 8.512 -7.691 194 1HB CYS 26 1HB CYS 26 -0.146 10.414 -9.601 195 2HB CYS 26 2HB CYS 26 -0.659 11.469 -8.316 196 H ASP 27 H ASP 27 -3.017 10.823 -7.726 197 HA ASP 27 HA ASP 27 -3.255 12.315 -5.443 198 1HB ASP 27 1HB ASP 27 -5.676 12.067 -5.975 199 2HB ASP 27 2HB ASP 27 -4.709 12.464 -7.398 200 H ALA 28 H ALA 28 -4.292 9.037 -6.121 201 HA ALA 28 HA ALA 28 -5.492 8.023 -3.998 202 1HB ALA 28 1HB ALA 28 -3.148 6.926 -5.582 203 2HB ALA 28 2HB ALA 28 -3.973 5.948 -4.356 204 3HB ALA 28 3HB ALA 28 -4.886 6.581 -5.755 205 H CYS 29 H CYS 29 -1.965 8.493 -4.071 206 HA CYS 29 HA CYS 29 -1.830 8.032 -1.097 207 1HB CYS 29 1HB CYS 29 0.257 7.386 -3.155 208 2HB CYS 29 2HB CYS 29 0.283 7.000 -1.423 209 H HIS 30 H HIS 30 -0.784 10.048 -3.847 210 HA HIS 30 HA HIS 30 0.612 11.885 -1.944 211 1HB HIS 30 1HB HIS 30 1.381 11.201 -4.791 212 2HB HIS 30 2HB HIS 30 2.188 12.350 -3.740 213 HD1 HIS 30 HND HIS 30 3.507 11.151 -1.604 214 HD2 HIS 30 HD HIS 30 2.324 8.867 -4.872 215 HE1 HIS 30 HE HIS 30 5.151 9.096 -1.771 216 H GLU 31 H GLU 31 -0.916 13.444 -1.801 217 HA GLU 31 HA GLU 31 -2.591 14.290 -4.013 218 1HB GLU 31 1HB GLU 31 -1.984 16.019 -1.556 219 2HB GLU 31 2HB GLU 31 -3.417 15.958 -2.584 220 1HG GLU 31 1HG GLU 31 -3.660 13.550 -1.804 221 2HG GLU 31 2HG GLU 31 -2.472 13.904 -0.541 222 H GLY 32 H GLY 32 0.023 15.770 -2.250 223 1HA GLY 32 1HA GLY 32 0.832 17.513 -4.566 224 2HA GLY 32 2HA GLY 32 1.043 17.903 -2.852 225 H THR 33 H THR 33 3.259 18.111 -2.973 226 HA THR 33 HA THR 33 5.065 16.747 -4.428 227 HB THR 33 HB THR 33 5.579 17.853 -1.649 228 HG1 THR 33 HG1 THR 33 5.259 19.233 -4.107 229 1HG2 THR 33 1HG2 THR 33 7.244 17.859 -4.218 230 2HG2 THR 33 2HG2 THR 33 7.682 18.642 -2.685 231 3HG2 THR 33 3HG2 THR 33 7.565 16.876 -2.772 232 HA PRO 34 HA PRO 34 4.971 12.776 -2.137 233 1HB PRO 34 1HB PRO 34 6.186 11.196 -3.874 234 2HB PRO 34 2HB PRO 34 4.547 11.818 -4.193 235 1HG PRO 34 1HG PRO 34 7.116 12.899 -5.308 236 2HG PRO 34 2HG PRO 34 5.575 12.536 -6.138 237 1HD PRO 34 1HD PRO 34 6.258 15.055 -5.276 238 2HD PRO 34 2HD PRO 34 4.560 14.487 -5.340 239 H ALA 35 H ALA 35 6.350 13.067 -0.394 240 HA ALA 35 HA ALA 35 9.301 12.822 -0.878 241 1HB ALA 35 1HB ALA 35 8.657 15.149 -0.457 242 2HB ALA 35 2HB ALA 35 7.861 14.669 1.060 243 3HB ALA 35 3HB ALA 35 9.628 14.486 0.883 244 H LYS 36 H LYS 36 7.947 10.682 -0.624 245 HA LYS 36 HA LYS 36 7.324 8.866 0.310 246 1HB LYS 36 1HB LYS 36 8.717 7.795 1.909 247 2HB LYS 36 2HB LYS 36 9.660 8.595 0.676 248 1HG LYS 36 1HG LYS 36 10.533 10.166 2.095 249 2HG LYS 36 2HG LYS 36 9.227 10.044 3.289 250 1HD LYS 36 1HD LYS 36 11.005 7.662 2.642 251 2HD LYS 36 2HD LYS 36 11.499 8.856 3.859 252 1HE LYS 36 1HE LYS 36 9.730 8.395 5.293 253 2HE LYS 36 2HE LYS 36 8.675 7.775 4.061 254 1HZ LYS 36 1HZ LYS 36 9.933 5.783 3.873 255 2HZ LYS 36 2HZ LYS 36 10.991 6.249 5.047 256 3HZ LYS 36 3HZ LYS 36 9.383 5.979 5.358 257 H ILE 37 H ILE 37 6.176 7.698 1.851 258 HA ILE 37 HA ILE 37 4.382 9.554 3.330 259 HB ILE 37 HB ILE 37 3.791 6.651 2.770 260 1HG1 ILE 37 1HG1 ILE 37 3.665 8.988 0.871 261 2HG1 ILE 37 2HG1 ILE 37 4.434 7.410 0.665 262 1HG2 ILE 37 1HG2 ILE 37 1.989 9.097 3.020 263 2HG2 ILE 37 2HG2 ILE 37 1.470 7.402 2.894 264 3HG2 ILE 37 3HG2 ILE 37 2.320 7.948 4.332 265 1HD1 ILE 37 1HD1 ILE 37 2.088 6.401 0.644 266 2HD1 ILE 37 2HD1 ILE 37 1.453 8.061 0.649 267 3HD1 ILE 37 3HD1 ILE 37 2.450 7.508 -0.701 268 H ALA 38 H ALA 38 6.303 6.678 3.747 269 HA ALA 38 HA ALA 38 6.955 5.418 5.488 270 1HB ALA 38 1HB ALA 38 6.983 6.163 7.743 271 2HB ALA 38 2HB ALA 38 7.505 7.504 6.675 272 3HB ALA 38 3HB ALA 38 5.877 7.505 7.410 273 H ILE 39 H ILE 39 5.347 4.303 4.322 274 HA ILE 39 HA ILE 39 2.951 3.565 5.881 275 HB ILE 39 HB ILE 39 4.337 2.369 3.481 276 1HG1 ILE 39 1HG1 ILE 39 3.170 4.497 3.070 277 2HG1 ILE 39 2HG1 ILE 39 2.459 3.152 2.213 278 1HG2 ILE 39 1HG2 ILE 39 3.316 0.584 4.868 279 2HG2 ILE 39 2HG2 ILE 39 1.757 1.427 4.790 280 3HG2 ILE 39 3HG2 ILE 39 2.518 0.769 3.330 281 1HD1 ILE 39 1HD1 ILE 39 0.737 4.630 3.004 282 2HD1 ILE 39 2HD1 ILE 39 0.599 3.133 3.930 283 3HD1 ILE 39 3HD1 ILE 39 1.349 4.580 4.656 284 H ASP 40 H ASP 40 3.186 2.441 7.586 285 HA ASP 40 HA ASP 40 5.187 0.380 8.005 286 1HB ASP 40 1HB ASP 40 5.680 1.011 10.276 287 2HB ASP 40 2HB ASP 40 6.104 2.352 9.263 288 H LYS 41 H LYS 41 4.404 -0.853 9.916 289 HA LYS 41 HA LYS 41 1.984 -1.940 9.921 290 1HB LYS 41 1HB LYS 41 2.276 -2.331 12.386 291 2HB LYS 41 2HB LYS 41 3.620 -2.717 11.333 292 1HG LYS 41 1HG LYS 41 4.178 -0.088 12.167 293 2HG LYS 41 2HG LYS 41 3.576 -0.876 13.612 294 1HD LYS 41 1HD LYS 41 5.766 -1.942 11.753 295 2HD LYS 41 2HD LYS 41 6.083 -0.908 13.148 296 1HE LYS 41 1HE LYS 41 5.184 -2.565 14.695 297 2HE LYS 41 2HE LYS 41 4.652 -3.595 13.359 298 1HZ LYS 41 1HZ LYS 41 7.485 -2.926 13.899 299 2HZ LYS 41 2HZ LYS 41 6.753 -4.340 14.315 300 3HZ LYS 41 3HZ LYS 41 6.950 -3.980 12.766 301 H LYS 42 H LYS 42 2.504 1.045 11.877 302 HA LYS 42 HA LYS 42 -0.293 1.120 12.735 303 1HB LYS 42 1HB LYS 42 1.839 3.293 12.864 304 2HB LYS 42 2HB LYS 42 0.290 3.259 13.701 305 1HG LYS 42 1HG LYS 42 1.326 0.841 14.518 306 2HG LYS 42 2HG LYS 42 2.820 1.726 14.197 307 1HD LYS 42 1HD LYS 42 2.273 1.970 16.518 308 2HD LYS 42 2HD LYS 42 2.034 3.547 15.742 309 1HE LYS 42 1HE LYS 42 -0.393 3.277 15.766 310 2HE LYS 42 2HE LYS 42 -0.261 1.556 16.157 311 1HZ LYS 42 1HZ LYS 42 -0.886 2.882 18.034 312 2HZ LYS 42 2HZ LYS 42 0.565 2.162 18.310 313 3HZ LYS 42 3HZ LYS 42 0.496 3.769 17.944 314 H SER 43 H SER 43 1.490 2.233 9.990 315 HA SER 43 HA SER 43 -0.646 4.122 9.088 316 1HB SER 43 1HB SER 43 2.257 3.794 8.388 317 2HB SER 43 2HB SER 43 1.153 5.058 7.855 318 HG SER 43 HG SER 43 2.695 4.795 10.101 319 H ALA 44 H ALA 44 -0.753 1.341 8.747 320 HA ALA 44 HA ALA 44 -0.642 0.829 5.790 321 1HB ALA 44 1HB ALA 44 0.392 -1.384 6.316 322 2HB ALA 44 2HB ALA 44 1.512 -0.020 6.512 323 3HB ALA 44 3HB ALA 44 0.793 -0.822 7.922 324 H HIS 45 H HIS 45 -1.010 -0.536 8.964 325 HA HIS 45 HA HIS 45 -3.165 -2.390 8.050 326 1HB HIS 45 1HB HIS 45 -1.405 -2.264 10.474 327 2HB HIS 45 2HB HIS 45 -3.011 -2.910 10.701 328 HD1 HIS 45 HND HIS 45 -3.641 -5.170 9.547 329 HD2 HIS 45 HD HIS 45 0.292 -3.824 8.916 330 HE1 HIS 45 HE HIS 45 -2.347 -7.121 8.543 331 H LYS 46 H LYS 46 -3.060 0.721 9.397 332 HA LYS 46 HA LYS 46 -5.464 0.481 11.013 333 1HB LYS 46 1HB LYS 46 -3.355 1.706 11.536 334 2HB LYS 46 2HB LYS 46 -3.768 2.926 10.335 335 1HG LYS 46 1HG LYS 46 -5.281 2.201 12.883 336 2HG LYS 46 2HG LYS 46 -4.209 3.578 12.607 337 1HD LYS 46 1HD LYS 46 -6.035 3.929 10.588 338 2HD LYS 46 2HD LYS 46 -7.058 3.174 11.803 339 1HE LYS 46 1HE LYS 46 -7.239 5.527 12.152 340 2HE LYS 46 2HE LYS 46 -6.144 4.977 13.433 341 1HZ LYS 46 1HZ LYS 46 -5.279 6.942 12.356 342 2HZ LYS 46 2HZ LYS 46 -4.307 5.689 11.891 343 3HZ LYS 46 3HZ LYS 46 -5.425 6.280 10.871 344 H ASP 47 H ASP 47 -4.598 2.883 8.451 345 HA ASP 47 HA ASP 47 -7.364 2.813 7.374 346 1HB ASP 47 1HB ASP 47 -7.135 5.340 7.373 347 2HB ASP 47 2HB ASP 47 -7.316 4.599 8.947 348 H ALA 48 H ALA 48 -4.338 2.143 6.445 349 HA ALA 48 HA ALA 48 -4.332 3.846 3.998 350 1HB ALA 48 1HB ALA 48 -2.235 2.195 5.410 351 2HB ALA 48 2HB ALA 48 -1.981 2.921 3.795 352 3HB ALA 48 3HB ALA 48 -2.305 3.938 5.208 353 H CYS 49 H CYS 49 -2.914 0.657 4.103 354 HA CYS 49 HA CYS 49 -3.710 0.206 1.422 355 1HB CYS 49 1HB CYS 49 -2.820 -1.952 3.319 356 2HB CYS 49 2HB CYS 49 -2.601 -1.901 1.588 357 H LYS 50 H LYS 50 -4.620 -1.689 4.314 358 HA LYS 50 HA LYS 50 -6.928 -2.878 2.961 359 1HB LYS 50 1HB LYS 50 -5.386 -4.115 4.484 360 2HB LYS 50 2HB LYS 50 -5.985 -3.147 5.839 361 1HG LYS 50 1HG LYS 50 -8.260 -4.028 5.451 362 2HG LYS 50 2HG LYS 50 -7.714 -4.928 4.034 363 1HD LYS 50 1HD LYS 50 -6.479 -6.464 5.262 364 2HD LYS 50 2HD LYS 50 -6.273 -5.403 6.657 365 1HE LYS 50 1HE LYS 50 -8.951 -6.621 5.820 366 2HE LYS 50 2HE LYS 50 -7.865 -7.343 7.016 367 1HZ LYS 50 1HZ LYS 50 -9.549 -6.017 8.073 368 2HZ LYS 50 2HZ LYS 50 -8.068 -5.358 8.348 369 3HZ LYS 50 3HZ LYS 50 -9.082 -4.667 7.260 370 H THR 51 H THR 51 -7.335 -0.384 2.751 371 HA THR 51 HA THR 51 -9.846 0.105 4.111 372 HB THR 51 HB THR 51 -7.459 1.928 4.559 373 HG1 THR 51 HG1 THR 51 -8.275 0.143 6.043 374 1HG2 THR 51 1HG2 THR 51 -9.060 3.540 5.589 375 2HG2 THR 51 2HG2 THR 51 -9.267 3.421 3.840 376 3HG2 THR 51 3HG2 THR 51 -10.411 2.598 4.931 377 H CYS 52 H CYS 52 -7.196 1.582 2.082 378 HA CYS 52 HA CYS 52 -8.963 2.734 0.183 379 1HB CYS 52 1HB CYS 52 -6.420 2.964 0.562 380 2HB CYS 52 2HB CYS 52 -6.277 1.568 -0.521 381 H HIS 53 H HIS 53 -7.466 -0.513 0.405 382 HA HIS 53 HA HIS 53 -8.375 -1.495 -2.088 383 1HB HIS 53 1HB HIS 53 -7.663 -2.944 0.502 384 2HB HIS 53 2HB HIS 53 -7.821 -3.712 -1.068 385 HD1 HIS 53 HND HIS 53 -5.194 -4.049 0.384 386 HD2 HIS 53 HD HIS 53 -6.091 -1.316 -2.683 387 HE1 HIS 53 HE HIS 53 -3.057 -3.658 -0.970 388 H LYS 54 H LYS 54 -10.730 -0.374 -0.907 389 HA LYS 54 HA LYS 54 -12.625 -1.962 0.295 390 1HB LYS 54 1HB LYS 54 -12.989 -0.030 -1.975 391 2HB LYS 54 2HB LYS 54 -14.274 -0.690 -0.962 392 1HG LYS 54 1HG LYS 54 -11.943 1.019 -0.010 393 2HG LYS 54 2HG LYS 54 -13.554 1.585 -0.346 394 1HD LYS 54 1HD LYS 54 -13.059 -0.500 1.809 395 2HD LYS 54 2HD LYS 54 -12.841 1.214 2.078 396 1HE LYS 54 1HE LYS 54 -14.995 0.669 2.898 397 2HE LYS 54 2HE LYS 54 -15.179 1.705 1.479 398 1HZ LYS 54 1HZ LYS 54 -15.752 -0.229 0.207 399 2HZ LYS 54 2HZ LYS 54 -15.487 -1.231 1.491 400 3HZ LYS 54 3HZ LYS 54 -16.722 -0.145 1.525 401 H SER 55 H SER 55 -12.549 -4.080 -0.248 402 HA SER 55 HA SER 55 -13.466 -5.946 -1.228 403 1HB SER 55 1HB SER 55 -15.125 -4.385 -2.439 404 2HB SER 55 2HB SER 55 -14.041 -4.512 -3.842 405 HG SER 55 HG SER 55 -15.628 -6.137 -3.874 406 H ASN 56 H ASN 56 -11.766 -3.950 -3.677 407 HA ASN 56 HA ASN 56 -10.404 -5.631 -5.225 408 1HB ASN 56 1HB ASN 56 -8.880 -3.407 -3.809 409 2HB ASN 56 2HB ASN 56 -8.581 -4.071 -5.418 410 1HD2 ASN 56 1HD2 ASN 56 -8.705 -1.382 -5.122 411 2HD2 ASN 56 2HD2 ASN 56 -10.207 -0.754 -5.772 412 H ASN 57 H ASN 57 -9.428 -4.892 -1.903 413 HA ASN 57 HA ASN 57 -8.317 -7.537 -1.591 414 1HB ASN 57 1HB ASN 57 -6.436 -5.398 -2.161 415 2HB ASN 57 2HB ASN 57 -6.243 -5.849 -0.470 416 1HD2 ASN 57 1HD2 ASN 57 -6.861 -7.583 -3.587 417 2HD2 ASN 57 2HD2 ASN 57 -5.555 -8.739 -3.335 418 H GLY 58 H GLY 58 -10.546 -6.868 -0.752 419 1HA GLY 58 1HA GLY 58 -10.578 -5.491 1.837 420 2HA GLY 58 2HA GLY 58 -11.923 -6.305 1.042 421 HA PRO 59 HA PRO 59 -10.302 -9.977 3.394 422 1HB PRO 59 1HB PRO 59 -12.398 -11.684 3.011 423 2HB PRO 59 2HB PRO 59 -12.807 -10.117 3.779 424 1HG PRO 59 1HG PRO 59 -13.030 -10.864 0.835 425 2HG PRO 59 2HG PRO 59 -14.276 -10.106 1.861 426 1HD PRO 59 1HD PRO 59 -12.489 -8.707 0.207 427 2HD PRO 59 2HD PRO 59 -13.281 -8.016 1.655 428 H THR 60 H THR 60 -10.056 -12.192 3.076 429 HA THR 60 HA THR 60 -8.473 -13.146 1.026 430 HB THR 60 HB THR 60 -7.720 -10.991 0.343 431 HG1 THR 60 HG1 THR 60 -5.955 -11.746 2.330 432 1HG2 THR 60 1HG2 THR 60 -7.343 -10.223 3.296 433 2HG2 THR 60 2HG2 THR 60 -6.599 -9.381 1.932 434 3HG2 THR 60 3HG2 THR 60 -8.333 -9.376 2.085 435 H LYS 61 H LYS 61 -8.582 -11.693 4.302 436 HA LYS 61 HA LYS 61 -8.100 -12.490 6.354 437 1HB LYS 61 1HB LYS 61 -8.636 -15.142 4.984 438 2HB LYS 61 2HB LYS 61 -8.228 -15.039 6.683 439 1HG LYS 61 1HG LYS 61 -10.512 -13.423 5.510 440 2HG LYS 61 2HG LYS 61 -10.732 -15.101 5.985 441 1HD LYS 61 1HD LYS 61 -9.728 -12.946 7.906 442 2HD LYS 61 2HD LYS 61 -11.426 -13.394 7.698 443 1HE LYS 61 1HE LYS 61 -10.884 -15.757 8.328 444 2HE LYS 61 2HE LYS 61 -9.206 -15.286 8.636 445 1HZ LYS 61 1HZ LYS 61 -10.476 -15.350 10.632 446 2HZ LYS 61 2HZ LYS 61 -9.988 -13.809 10.349 447 3HZ LYS 61 3HZ LYS 61 -11.553 -14.245 10.072 448 H CYS 62 H CYS 62 -6.123 -11.467 5.483 449 HA CYS 62 HA CYS 62 -3.938 -11.197 5.909 450 1HB CYS 62 1HB CYS 62 -4.205 -13.256 7.477 451 2HB CYS 62 2HB CYS 62 -3.357 -14.093 6.155 452 H GLY 63 H GLY 63 -1.880 -13.137 4.779 453 1HA GLY 63 1HA GLY 63 -1.115 -14.047 2.851 454 2HA GLY 63 2HA GLY 63 -2.761 -14.029 2.213 455 H GLY 64 H GLY 64 -3.427 -11.503 1.984 456 1HA GLY 64 1HA GLY 64 -3.042 -10.626 -0.372 457 2HA GLY 64 2HA GLY 64 -3.087 -9.465 0.962 458 H CYS 65 H CYS 65 -0.742 -9.449 2.080 459 HA CYS 65 HA CYS 65 0.827 -8.097 -0.068 460 1HB CYS 65 1HB CYS 65 0.469 -7.294 2.791 461 2HB CYS 65 2HB CYS 65 0.989 -6.273 1.445 462 H HIS 66 H HIS 66 1.070 -9.986 2.928 463 HA HIS 66 HA HIS 66 4.028 -9.793 2.970 464 1HB HIS 66 1HB HIS 66 2.079 -11.411 4.660 465 2HB HIS 66 2HB HIS 66 3.822 -11.374 4.872 466 HD1 HIS 66 HND HIS 66 4.594 -8.471 4.963 467 HD2 HIS 66 HD HIS 66 0.862 -9.782 6.311 468 HE1 HIS 66 HE HIS 66 3.656 -6.643 6.518 469 H ILE 67 H ILE 67 5.164 -11.160 1.637 470 HA ILE 67 HA ILE 67 3.683 -13.293 0.256 471 HB ILE 67 HB ILE 67 6.593 -12.483 0.003 472 1HG1 ILE 67 1HG1 ILE 67 5.223 -10.509 -0.432 473 2HG1 ILE 67 2HG1 ILE 67 5.898 -11.139 -1.929 474 1HG2 ILE 67 1HG2 ILE 67 6.319 -13.471 -2.294 475 2HG2 ILE 67 2HG2 ILE 67 6.197 -14.663 -1.000 476 3HG2 ILE 67 3HG2 ILE 67 4.730 -14.091 -1.803 477 1HD1 ILE 67 1HD1 ILE 67 3.601 -10.421 -2.256 478 2HD1 ILE 67 2HD1 ILE 67 3.684 -12.174 -2.474 479 3HD1 ILE 67 3HD1 ILE 67 3.019 -11.484 -0.972 480 H LYS 68 H LYS 68 3.185 -14.329 2.396 481 HA LYS 68 HA LYS 68 4.739 -16.726 2.579 482 1HB LYS 68 1HB LYS 68 4.415 -14.893 5.011 483 2HB LYS 68 2HB LYS 68 4.656 -16.638 5.109 484 1HG LYS 68 1HG LYS 68 6.814 -16.288 3.727 485 2HG LYS 68 2HG LYS 68 6.577 -14.562 4.022 486 1HD LYS 68 1HD LYS 68 8.052 -15.242 5.710 487 2HD LYS 68 2HD LYS 68 6.472 -15.073 6.498 488 1HE LYS 68 1HE LYS 68 6.164 -17.566 6.371 489 2HE LYS 68 2HE LYS 68 7.738 -17.704 5.573 490 1HZ LYS 68 1HZ LYS 68 7.860 -18.153 7.917 491 2HZ LYS 68 2HZ LYS 68 8.736 -16.803 7.564 492 3HZ LYS 68 3HZ LYS 68 7.262 -16.664 8.286 493 HHA HEC 69 HCM HEC 69 8.345 7.266 -1.329 494 HHB HEC 69 HDM HEC 69 6.802 10.302 -6.666 495 HHC HEC 69 HAM HEC 69 1.497 6.755 -7.148 496 HHD HEC 69 HBM HEC 69 2.665 4.459 -1.304 497 1HMA HEC 69 HM81 HEC 69 10.158 10.189 -5.454 498 2HMA HEC 69 HM82 HEC 69 8.759 11.000 -6.166 499 3HMA HEC 69 HM83 HEC 69 9.307 11.451 -4.548 500 1HAA HEC 69 HP71 HEC 69 10.401 10.018 -2.870 501 2HAA HEC 69 HP72 HEC 69 9.637 9.129 -1.571 502 1HBA HEC 69 HP73 HEC 69 10.375 7.077 -3.285 503 2HBA HEC 69 HP74 HEC 69 11.670 8.248 -3.539 504 1HMB HEC 69 HM11 HEC 69 4.215 11.216 -8.707 505 2HMB HEC 69 HM12 HEC 69 5.928 10.852 -8.501 506 3HMB HEC 69 HM13 HEC 69 5.023 10.018 -9.753 507 HAB HEC 69 HT2A HEC 69 1.435 8.177 -8.681 508 1HBB HEC 69 HT21 HEC 69 3.099 8.570 -10.595 509 2HBB HEC 69 HT22 HEC 69 1.461 9.218 -10.726 510 3HBB HEC 69 HT23 HEC 69 2.788 10.302 -10.311 511 1HMC HEC 69 HM31 HEC 69 0.040 4.821 -6.696 512 2HMC HEC 69 HM32 HEC 69 -0.974 4.723 -5.247 513 3HMC HEC 69 HM33 HEC 69 -0.590 6.298 -5.925 514 HAC HEC 69 HT4A HEC 69 0.583 4.354 -1.676 515 1HBC HEC 69 HT41 HEC 69 -0.938 2.613 -2.273 516 2HBC HEC 69 HT42 HEC 69 -0.794 2.949 -3.994 517 3HBC HEC 69 HT43 HEC 69 0.592 2.304 -3.101 518 1HMD HEC 69 HM51 HEC 69 4.706 3.346 0.683 519 2HMD HEC 69 HM52 HEC 69 4.885 4.855 1.617 520 3HMD HEC 69 HM53 HEC 69 3.420 4.563 0.707 521 1HAD HEC 69 HP61 HEC 69 8.510 5.566 -0.072 522 2HAD HEC 69 HP62 HEC 69 7.412 6.384 1.020 523 1HBD HEC 69 HP63 HEC 69 6.752 3.868 1.653 524 2HBD HEC 69 HP64 HEC 69 8.311 3.518 0.895 525 HHA HEC 70 HCM HEC 70 -3.809 -4.822 -6.385 526 HHB HEC 70 HDM HEC 70 0.163 -4.193 -1.418 527 HHC HEC 70 HAM HEC 70 -2.407 1.530 -0.244 528 HHD HEC 70 HBM HEC 70 -6.370 0.904 -5.145 529 1HMA HEC 70 HM81 HEC 70 0.918 -5.881 -2.807 530 2HMA HEC 70 HM82 HEC 70 -0.392 -7.012 -2.370 531 3HMA HEC 70 HM83 HEC 70 0.294 -7.001 -4.010 532 1HAA HEC 70 HP71 HEC 70 -1.682 -7.608 -5.016 533 2HAA HEC 70 HP72 HEC 70 -3.161 -6.911 -5.635 534 1HBA HEC 70 HP73 HEC 70 -1.792 -5.660 -7.346 535 2HBA HEC 70 HP74 HEC 70 -0.368 -6.538 -6.768 536 1HMB HEC 70 HM11 HEC 70 1.046 -2.008 1.521 537 2HMB HEC 70 HM12 HEC 70 0.084 -3.453 1.145 538 3HMB HEC 70 HM13 HEC 70 1.506 -3.028 0.151 539 HAB HEC 70 HT2A HEC 70 -1.275 1.107 1.340 540 1HBB HEC 70 HT21 HEC 70 1.572 0.155 1.389 541 2HBB HEC 70 HT22 HEC 70 0.946 1.490 0.414 542 3HBB HEC 70 HT23 HEC 70 0.841 1.579 2.177 543 1HMC HEC 70 HM31 HEC 70 -4.479 4.341 -1.647 544 2HMC HEC 70 HM32 HEC 70 -4.268 3.342 -0.190 545 3HMC HEC 70 HM33 HEC 70 -2.892 3.703 -1.239 546 HAC HEC 70 HT4A HEC 70 -7.273 2.118 -3.495 547 1HBC HEC 70 HT41 HEC 70 -5.646 4.639 -3.804 548 2HBC HEC 70 HT42 HEC 70 -6.239 3.563 -5.091 549 3HBC HEC 70 HT43 HEC 70 -7.384 4.502 -4.135 550 1HMD HEC 70 HM51 HEC 70 -7.847 -1.509 -7.464 551 2HMD HEC 70 HM52 HEC 70 -7.425 0.096 -6.862 552 3HMD HEC 70 HM53 HEC 70 -6.586 -0.569 -8.276 553 1HAD HEC 70 HP61 HEC 70 -5.939 -4.644 -7.344 554 2HAD HEC 70 HP62 HEC 70 -6.748 -3.376 -8.245 555 1HBD HEC 70 HP63 HEC 70 -3.776 -3.446 -8.552 556 2HBD HEC 70 HP64 HEC 70 -4.659 -4.838 -9.180 557 HHA HEC 71 HCM HEC 71 3.929 -4.027 8.915 558 HHB HEC 71 HDM HEC 71 1.403 -9.271 11.515 559 HHC HEC 71 HAM HEC 71 -2.365 -9.876 6.439 560 HHD HEC 71 HBM HEC 71 0.030 -4.609 3.907 561 1HMA HEC 71 HM81 HEC 71 2.497 -8.203 13.088 562 2HMA HEC 71 HM82 HEC 71 4.234 -8.143 12.670 563 3HMA HEC 71 HM83 HEC 71 3.414 -6.730 13.347 564 1HAA HEC 71 HP71 HEC 71 5.161 -4.521 10.662 565 2HAA HEC 71 HP72 HEC 71 5.038 -5.471 12.146 566 1HBA HEC 71 HP73 HEC 71 5.905 -7.439 10.995 567 2HBA HEC 71 HP74 HEC 71 6.064 -6.507 9.488 568 1HMB HEC 71 HM11 HEC 71 -0.338 -12.409 10.504 569 2HMB HEC 71 HM12 HEC 71 0.723 -11.349 11.403 570 3HMB HEC 71 HM13 HEC 71 -1.019 -11.321 11.746 571 HAB HEC 71 HT2A HEC 71 -3.339 -10.832 8.193 572 1HBB HEC 71 HT21 HEC 71 -3.170 -11.469 10.637 573 2HBB HEC 71 HT22 HEC 71 -4.040 -12.559 9.562 574 3HBB HEC 71 HT23 HEC 71 -2.410 -12.988 10.077 575 1HMC HEC 71 HM31 HEC 71 -2.551 -10.030 4.252 576 2HMC HEC 71 HM32 HEC 71 -3.914 -9.038 4.726 577 3HMC HEC 71 HM33 HEC 71 -3.207 -8.857 3.098 578 HAC HEC 71 HT4A HEC 71 -1.818 -5.009 3.000 579 1HBC HEC 71 HT41 HEC 71 -4.085 -5.816 3.725 580 2HBC HEC 71 HT42 HEC 71 -3.873 -5.215 2.066 581 3HBC HEC 71 HT43 HEC 71 -4.008 -6.950 2.357 582 1HMD HEC 71 HM51 HEC 71 1.084 -1.894 4.380 583 2HMD HEC 71 HM52 HEC 71 2.822 -2.108 4.137 584 3HMD HEC 71 HM53 HEC 71 1.658 -3.217 3.390 585 1HAD HEC 71 HP61 HEC 71 3.753 -1.523 6.074 586 2HAD HEC 71 HP62 HEC 71 3.464 -1.875 7.759 587 1HBD HEC 71 HP63 HEC 71 5.300 -3.840 7.097 588 2HBD HEC 71 HP64 HEC 71 5.799 -2.495 6.076 Start of MODEL 5 1 1H ALA 1 1H ALA 1 10.300 3.341 -5.827 2 2H ALA 1 2H ALA 1 11.535 4.363 -6.245 3 3H ALA 1 3H ALA 1 9.979 4.619 -6.784 4 HA ALA 1 HA ALA 1 11.451 3.706 -8.498 5 1HB ALA 1 1HB ALA 1 11.864 1.268 -8.368 6 2HB ALA 1 2HB ALA 1 12.630 2.098 -7.006 7 3HB ALA 1 3HB ALA 1 11.106 1.222 -6.763 8 H ASP 2 H ASP 2 10.170 1.306 -9.622 9 HA ASP 2 HA ASP 2 7.419 2.090 -9.823 10 1HB ASP 2 1HB ASP 2 7.523 0.199 -11.529 11 2HB ASP 2 2HB ASP 2 8.696 1.483 -11.878 12 H VAL 3 H VAL 3 9.474 -0.529 -8.584 13 HA VAL 3 HA VAL 3 7.171 -1.272 -6.828 14 HB VAL 3 HB VAL 3 7.442 -3.139 -8.161 15 1HG1 VAL 3 1HG1 VAL 3 10.460 -2.935 -7.813 16 2HG1 VAL 3 2HG1 VAL 3 9.607 -4.302 -8.557 17 3HG1 VAL 3 3HG1 VAL 3 9.528 -2.710 -9.311 18 1HG2 VAL 3 1HG2 VAL 3 9.183 -3.815 -5.755 19 2HG2 VAL 3 2HG2 VAL 3 7.424 -3.616 -5.667 20 3HG2 VAL 3 3HG2 VAL 3 8.119 -4.892 -6.674 21 H VAL 4 H VAL 4 7.385 -0.890 -4.609 22 HA VAL 4 HA VAL 4 10.179 -1.085 -3.567 23 HB VAL 4 HB VAL 4 7.851 0.570 -2.545 24 1HG1 VAL 4 1HG1 VAL 4 9.105 -0.407 -0.631 25 2HG1 VAL 4 2HG1 VAL 4 10.641 0.037 -1.388 26 3HG1 VAL 4 3HG1 VAL 4 9.548 1.295 -0.790 27 1HG2 VAL 4 1HG2 VAL 4 9.004 1.680 -4.392 28 2HG2 VAL 4 2HG2 VAL 4 9.382 2.482 -2.856 29 3HG2 VAL 4 3HG2 VAL 4 10.577 1.393 -3.603 30 H THR 5 H THR 5 10.292 -2.271 -1.631 31 HA THR 5 HA THR 5 7.770 -3.257 -0.633 32 HB THR 5 HB THR 5 8.657 -5.256 -1.741 33 HG1 THR 5 HG1 THR 5 7.994 -5.070 0.604 34 1HG2 THR 5 1HG2 THR 5 11.240 -4.840 -0.162 35 2HG2 THR 5 2HG2 THR 5 10.836 -6.253 -1.148 36 3HG2 THR 5 3HG2 THR 5 11.060 -4.675 -1.923 37 H TYR 6 H TYR 6 7.526 -3.232 1.466 38 HA TYR 6 HA TYR 6 9.726 -2.253 3.219 39 1HB TYR 6 1HB TYR 6 6.855 -3.066 3.839 40 2HB TYR 6 2HB TYR 6 8.035 -2.501 5.014 41 HD1 TYR 6 HD1 TYR 6 9.258 -0.185 4.278 42 HD2 TYR 6 HD2 TYR 6 5.346 -1.458 2.988 43 HE1 TYR 6 HE1 TYR 6 8.731 2.121 3.588 44 HE2 TYR 6 HE2 TYR 6 4.879 0.842 2.222 45 HH TYR 6 HH TYR 6 7.203 3.479 2.628 46 H GLU 7 H GLU 7 11.250 -3.873 3.399 47 HA GLU 7 HA GLU 7 10.555 -6.645 3.492 48 1HB GLU 7 1HB GLU 7 13.085 -5.306 4.328 49 2HB GLU 7 2HB GLU 7 12.817 -7.034 4.061 50 1HG GLU 7 1HG GLU 7 12.226 -6.538 1.658 51 2HG GLU 7 2HG GLU 7 12.690 -4.843 1.927 52 H ASN 8 H ASN 8 8.952 -6.094 5.171 53 HA ASN 8 HA ASN 8 9.746 -5.925 7.973 54 1HB ASN 8 1HB ASN 8 7.513 -5.752 8.499 55 2HB ASN 8 2HB ASN 8 7.517 -5.160 6.831 56 1HD2 ASN 8 1HD2 ASN 8 7.805 -7.821 5.660 57 2HD2 ASN 8 2HD2 ASN 8 6.179 -8.455 5.662 58 H LYS 9 H LYS 9 8.886 -7.653 9.541 59 HA LYS 9 HA LYS 9 10.638 -9.733 8.932 60 1HB LYS 9 1HB LYS 9 10.290 -8.697 11.204 61 2HB LYS 9 2HB LYS 9 8.654 -9.347 11.227 62 1HG LYS 9 1HG LYS 9 9.859 -10.643 12.674 63 2HG LYS 9 2HG LYS 9 9.585 -11.691 11.304 64 1HD LYS 9 1HD LYS 9 12.109 -10.054 11.856 65 2HD LYS 9 2HD LYS 9 11.884 -11.705 12.430 66 1HE LYS 9 1HE LYS 9 12.367 -10.759 9.584 67 2HE LYS 9 2HE LYS 9 13.319 -11.852 10.567 68 1HZ LYS 9 1HZ LYS 9 10.667 -12.434 9.420 69 2HZ LYS 9 2HZ LYS 9 12.101 -13.083 8.976 70 3HZ LYS 9 3HZ LYS 9 11.472 -13.438 10.457 71 H LYS 10 H LYS 10 7.185 -9.564 9.068 72 HA LYS 10 HA LYS 10 6.197 -12.125 9.095 73 1HB LYS 10 1HB LYS 10 5.522 -9.830 7.203 74 2HB LYS 10 2HB LYS 10 4.550 -11.281 7.195 75 1HG LYS 10 1HG LYS 10 5.061 -9.900 9.812 76 2HG LYS 10 2HG LYS 10 4.012 -9.117 8.644 77 1HD LYS 10 1HD LYS 10 2.762 -10.474 10.268 78 2HD LYS 10 2HD LYS 10 2.437 -10.933 8.607 79 1HE LYS 10 1HE LYS 10 4.382 -12.428 10.459 80 2HE LYS 10 2HE LYS 10 2.658 -12.770 10.404 81 1HZ LYS 10 1HZ LYS 10 3.796 -14.284 9.008 82 2HZ LYS 10 2HZ LYS 10 2.852 -13.326 8.074 83 3HZ LYS 10 3HZ LYS 10 4.477 -13.099 8.113 84 H GLY 11 H GLY 11 7.289 -10.473 6.215 85 1HA GLY 11 1HA GLY 11 8.980 -12.161 4.945 86 2HA GLY 11 2HA GLY 11 7.415 -12.889 4.557 87 H ASN 12 H ASN 12 8.650 -9.625 5.062 88 HA ASN 12 HA ASN 12 8.655 -7.703 3.872 89 1HB ASN 12 1HB ASN 12 8.542 -9.440 1.408 90 2HB ASN 12 2HB ASN 12 9.160 -7.797 1.551 91 1HD2 ASN 12 1HD2 ASN 12 10.356 -8.850 4.423 92 2HD2 ASN 12 2HD2 ASN 12 11.859 -9.500 3.806 93 H VAL 13 H VAL 13 7.450 -6.531 1.934 94 HA VAL 13 HA VAL 13 4.666 -7.279 1.468 95 HB VAL 13 HB VAL 13 5.401 -4.726 3.001 96 1HG1 VAL 13 1HG1 VAL 13 3.088 -5.399 1.204 97 2HG1 VAL 13 2HG1 VAL 13 2.756 -4.433 2.643 98 3HG1 VAL 13 3HG1 VAL 13 3.911 -3.849 1.441 99 1HG2 VAL 13 1HG2 VAL 13 3.463 -6.975 3.565 100 2HG2 VAL 13 2HG2 VAL 13 4.931 -6.524 4.512 101 3HG2 VAL 13 3HG2 VAL 13 3.546 -5.463 4.482 102 H THR 14 H THR 14 4.712 -7.028 -0.791 103 HA THR 14 HA THR 14 6.159 -4.700 -1.920 104 HB THR 14 HB THR 14 6.109 -6.692 -3.330 105 HG1 THR 14 HG1 THR 14 4.890 -5.233 -5.100 106 1HG2 THR 14 1HG2 THR 14 3.117 -6.194 -3.655 107 2HG2 THR 14 2HG2 THR 14 4.102 -7.403 -4.485 108 3HG2 THR 14 3HG2 THR 14 3.805 -7.558 -2.743 109 H PHE 15 H PHE 15 5.172 -2.846 -2.520 110 HA PHE 15 HA PHE 15 2.186 -2.694 -2.456 111 1HB PHE 15 1HB PHE 15 2.484 -0.250 -1.996 112 2HB PHE 15 2HB PHE 15 2.792 -1.326 -0.642 113 HD1 PHE 15 HD1 PHE 15 4.013 1.486 -2.401 114 HD2 PHE 15 HD2 PHE 15 5.259 -1.960 -0.112 115 HE1 PHE 15 HE1 PHE 15 5.818 2.815 -1.330 116 HE2 PHE 15 HE2 PHE 15 7.193 -0.686 0.731 117 HZ PHE 15 HZ PHE 15 7.383 1.724 0.259 118 H ASP 16 H ASP 16 4.467 -3.365 -4.443 119 HA ASP 16 HA ASP 16 5.547 -2.547 -6.204 120 1HB ASP 16 1HB ASP 16 2.655 -2.142 -6.949 121 2HB ASP 16 2HB ASP 16 4.003 -1.955 -8.108 122 H HIS 17 H HIS 17 3.676 -0.080 -7.386 123 HA HIS 17 HA HIS 17 3.656 2.092 -5.808 124 1HB HIS 17 1HB HIS 17 6.150 2.033 -5.450 125 2HB HIS 17 2HB HIS 17 6.405 2.109 -7.173 126 HD1 HIS 17 HND HIS 17 7.015 4.501 -7.825 127 HD2 HIS 17 HD HIS 17 4.482 4.211 -4.483 128 HE1 HIS 17 HE HIS 17 6.539 6.912 -7.016 129 H LYS 18 H LYS 18 5.364 1.657 -8.875 130 HA LYS 18 HA LYS 18 4.034 3.540 -10.514 131 1HB LYS 18 1HB LYS 18 6.029 2.685 -11.322 132 2HB LYS 18 2HB LYS 18 5.550 0.987 -11.006 133 1HG LYS 18 1HG LYS 18 4.067 0.965 -12.817 134 2HG LYS 18 2HG LYS 18 4.193 2.734 -13.048 135 1HD LYS 18 1HD LYS 18 6.496 2.492 -13.776 136 2HD LYS 18 2HD LYS 18 6.454 0.743 -13.425 137 1HE LYS 18 1HE LYS 18 4.599 0.437 -15.060 138 2HE LYS 18 2HE LYS 18 4.649 2.158 -15.456 139 1HZ LYS 18 1HZ LYS 18 6.885 1.820 -16.279 140 2HZ LYS 18 2HZ LYS 18 6.831 0.220 -15.874 141 3HZ LYS 18 3HZ LYS 18 5.821 0.812 -17.032 142 H ALA 19 H ALA 19 3.423 0.034 -10.056 143 HA ALA 19 HA ALA 19 1.220 -0.431 -11.618 144 1HB ALA 19 1HB ALA 19 0.560 -2.081 -9.885 145 2HB ALA 19 2HB ALA 19 2.323 -2.099 -10.154 146 3HB ALA 19 3HB ALA 19 1.639 -1.257 -8.739 147 H HIS 20 H HIS 20 1.014 0.672 -8.190 148 HA HIS 20 HA HIS 20 -1.804 1.109 -8.162 149 1HB HIS 20 1HB HIS 20 0.516 2.215 -6.518 150 2HB HIS 20 2HB HIS 20 -1.156 2.679 -6.255 151 HD1 HIS 20 HND HIS 20 1.216 -0.164 -5.401 152 HD2 HIS 20 HD HIS 20 -2.875 0.856 -5.251 153 HE1 HIS 20 HE HIS 20 0.101 -1.774 -3.813 154 H ALA 21 H ALA 21 0.987 3.134 -8.995 155 HA ALA 21 HA ALA 21 -0.437 5.618 -9.177 156 1HB ALA 21 1HB ALA 21 1.457 6.497 -10.308 157 2HB ALA 21 2HB ALA 21 2.070 5.360 -9.080 158 3HB ALA 21 3HB ALA 21 2.040 4.904 -10.789 159 H GLU 22 H GLU 22 0.297 3.240 -11.703 160 HA GLU 22 HA GLU 22 -0.916 4.825 -13.806 161 1HB GLU 22 1HB GLU 22 -0.554 2.900 -15.268 162 2HB GLU 22 2HB GLU 22 0.902 3.390 -14.388 163 1HG GLU 22 1HG GLU 22 0.486 1.470 -12.812 164 2HG GLU 22 2HG GLU 22 -0.844 0.956 -13.854 165 H LYS 23 H LYS 23 -1.987 2.073 -11.805 166 HA LYS 23 HA LYS 23 -4.521 1.738 -13.134 167 1HB LYS 23 1HB LYS 23 -3.658 1.196 -10.268 168 2HB LYS 23 2HB LYS 23 -5.183 0.649 -10.966 169 1HG LYS 23 1HG LYS 23 -2.428 -0.117 -12.048 170 2HG LYS 23 2HG LYS 23 -3.389 -1.021 -10.855 171 1HD LYS 23 1HD LYS 23 -5.241 -0.860 -12.805 172 2HD LYS 23 2HD LYS 23 -3.824 -0.556 -13.815 173 1HE LYS 23 1HE LYS 23 -4.702 -3.054 -12.382 174 2HE LYS 23 2HE LYS 23 -4.032 -2.872 -14.011 175 1HZ LYS 23 1HZ LYS 23 -2.677 -2.913 -11.413 176 2HZ LYS 23 2HZ LYS 23 -2.461 -3.956 -12.628 177 3HZ LYS 23 3HZ LYS 23 -1.862 -2.416 -12.777 178 H LEU 24 H LEU 24 -3.556 3.637 -10.236 179 HA LEU 24 HA LEU 24 -6.305 4.608 -9.895 180 1HB LEU 24 1HB LEU 24 -3.764 5.185 -8.333 181 2HB LEU 24 2HB LEU 24 -5.399 5.634 -7.864 182 HG LEU 24 HG LEU 24 -4.607 2.715 -8.297 183 1HD1 LEU 24 1HD1 LEU 24 -3.113 3.655 -6.622 184 2HD1 LEU 24 2HD1 LEU 24 -4.469 4.366 -5.756 185 3HD1 LEU 24 3HD1 LEU 24 -4.310 2.602 -5.845 186 1HD2 LEU 24 1HD2 LEU 24 -7.029 3.139 -8.273 187 2HD2 LEU 24 2HD2 LEU 24 -6.536 2.347 -6.771 188 3HD2 LEU 24 3HD2 LEU 24 -6.874 4.085 -6.775 189 H GLY 25 H GLY 25 -3.032 6.147 -10.392 190 1HA GLY 25 1HA GLY 25 -3.354 8.034 -12.112 191 2HA GLY 25 2HA GLY 25 -4.327 8.777 -10.819 192 H CYS 26 H CYS 26 -3.341 9.074 -8.752 193 HA CYS 26 HA CYS 26 -0.626 8.737 -8.060 194 1HB CYS 26 1HB CYS 26 -0.412 10.453 -10.136 195 2HB CYS 26 2HB CYS 26 -1.032 11.609 -8.988 196 H ASP 27 H ASP 27 -3.195 10.912 -8.199 197 HA ASP 27 HA ASP 27 -3.400 12.584 -6.002 198 1HB ASP 27 1HB ASP 27 -5.812 12.335 -6.525 199 2HB ASP 27 2HB ASP 27 -4.840 12.644 -7.964 200 H ALA 28 H ALA 28 -4.401 9.279 -6.520 201 HA ALA 28 HA ALA 28 -5.767 8.601 -4.279 202 1HB ALA 28 1HB ALA 28 -3.698 6.937 -5.765 203 2HB ALA 28 2HB ALA 28 -5.011 6.298 -4.733 204 3HB ALA 28 3HB ALA 28 -5.395 7.194 -6.226 205 H CYS 29 H CYS 29 -2.235 8.932 -4.454 206 HA CYS 29 HA CYS 29 -2.068 8.409 -1.494 207 1HB CYS 29 1HB CYS 29 -0.032 7.732 -3.581 208 2HB CYS 29 2HB CYS 29 0.105 7.445 -1.835 209 H HIS 30 H HIS 30 -0.863 10.354 -4.285 210 HA HIS 30 HA HIS 30 0.344 12.277 -2.321 211 1HB HIS 30 1HB HIS 30 1.486 11.467 -4.986 212 2HB HIS 30 2HB HIS 30 2.113 12.675 -3.914 213 HD1 HIS 30 HND HIS 30 3.833 11.543 -1.863 214 HD2 HIS 30 HD HIS 30 2.090 9.094 -4.819 215 HE1 HIS 30 HE HIS 30 5.347 9.538 -2.234 216 H GLU 31 H GLU 31 -0.053 14.403 -2.889 217 HA GLU 31 HA GLU 31 -1.103 15.012 -5.584 218 1HB GLU 31 1HB GLU 31 -2.842 16.527 -4.525 219 2HB GLU 31 2HB GLU 31 -3.132 14.813 -4.753 220 1HG GLU 31 1HG GLU 31 -3.557 14.487 -2.689 221 2HG GLU 31 2HG GLU 31 -2.013 15.094 -2.092 222 H GLY 32 H GLY 32 -1.300 17.291 -2.916 223 1HA GLY 32 1HA GLY 32 -0.244 19.421 -4.079 224 2HA GLY 32 2HA GLY 32 -0.044 19.117 -2.349 225 H THR 33 H THR 33 1.829 17.031 -2.368 226 HA THR 33 HA THR 33 4.037 17.571 -4.143 227 HB THR 33 HB THR 33 4.168 18.333 -1.195 228 HG1 THR 33 HG1 THR 33 3.800 19.790 -3.203 229 1HG2 THR 33 1HG2 THR 33 6.533 17.836 -3.053 230 2HG2 THR 33 2HG2 THR 33 6.607 18.598 -1.453 231 3HG2 THR 33 3HG2 THR 33 6.123 16.903 -1.589 232 HA PRO 34 HA PRO 34 3.805 13.320 -2.972 233 1HB PRO 34 1HB PRO 34 5.876 12.149 -4.335 234 2HB PRO 34 2HB PRO 34 4.371 12.717 -5.105 235 1HG PRO 34 1HG PRO 34 7.001 14.158 -4.891 236 2HG PRO 34 2HG PRO 34 5.939 13.992 -6.324 237 1HD PRO 34 1HD PRO 34 5.939 16.256 -4.776 238 2HD PRO 34 2HD PRO 34 4.437 15.626 -5.515 239 H ALA 35 H ALA 35 7.136 14.530 -2.830 240 HA ALA 35 HA ALA 35 8.905 13.891 -1.493 241 1HB ALA 35 1HB ALA 35 8.016 15.988 -0.670 242 2HB ALA 35 2HB ALA 35 6.879 15.129 0.400 243 3HB ALA 35 3HB ALA 35 8.631 15.030 0.679 244 H LYS 36 H LYS 36 8.283 11.466 -1.863 245 HA LYS 36 HA LYS 36 7.688 9.463 -1.234 246 1HB LYS 36 1HB LYS 36 9.230 8.493 0.259 247 2HB LYS 36 2HB LYS 36 10.042 9.770 -0.639 248 1HG LYS 36 1HG LYS 36 9.862 11.295 1.297 249 2HG LYS 36 2HG LYS 36 9.124 10.014 2.243 250 1HD LYS 36 1HD LYS 36 11.915 10.233 1.034 251 2HD LYS 36 2HD LYS 36 11.514 10.093 2.749 252 1HE LYS 36 1HE LYS 36 11.280 7.913 0.594 253 2HE LYS 36 2HE LYS 36 12.513 8.034 1.806 254 1HZ LYS 36 1HZ LYS 36 9.681 7.783 2.620 255 2HZ LYS 36 2HZ LYS 36 10.575 6.497 2.152 256 3HZ LYS 36 3HZ LYS 36 11.032 7.398 3.466 257 H ILE 37 H ILE 37 7.518 8.107 1.206 258 HA ILE 37 HA ILE 37 5.789 9.513 2.996 259 HB ILE 37 HB ILE 37 4.784 6.809 2.031 260 1HG1 ILE 37 1HG1 ILE 37 4.570 8.342 0.134 261 2HG1 ILE 37 2HG1 ILE 37 3.173 7.498 0.737 262 1HG2 ILE 37 1HG2 ILE 37 3.413 9.066 3.598 263 2HG2 ILE 37 2HG2 ILE 37 2.676 7.513 3.165 264 3HG2 ILE 37 3HG2 ILE 37 3.983 7.587 4.340 265 1HD1 ILE 37 1HD1 ILE 37 2.133 9.414 1.632 266 2HD1 ILE 37 2HD1 ILE 37 3.602 10.395 1.516 267 3HD1 ILE 37 3HD1 ILE 37 2.738 9.894 0.048 268 H ALA 38 H ALA 38 5.407 6.517 3.844 269 HA ALA 38 HA ALA 38 7.771 5.270 4.683 270 1HB ALA 38 1HB ALA 38 7.944 6.216 7.021 271 2HB ALA 38 2HB ALA 38 8.478 7.373 5.787 272 3HB ALA 38 3HB ALA 38 6.859 7.528 6.518 273 H ILE 39 H ILE 39 5.601 4.014 4.021 274 HA ILE 39 HA ILE 39 3.522 4.145 6.050 275 HB ILE 39 HB ILE 39 3.763 2.132 3.807 276 1HG1 ILE 39 1HG1 ILE 39 2.617 4.957 3.898 277 2HG1 ILE 39 2HG1 ILE 39 3.885 4.361 2.843 278 1HG2 ILE 39 1HG2 ILE 39 1.349 3.200 5.318 279 2HG2 ILE 39 2HG2 ILE 39 1.421 1.774 4.256 280 3HG2 ILE 39 3HG2 ILE 39 2.225 1.745 5.812 281 1HD1 ILE 39 1HD1 ILE 39 1.036 3.348 2.793 282 2HD1 ILE 39 2HD1 ILE 39 1.656 4.623 1.744 283 3HD1 ILE 39 3HD1 ILE 39 2.337 2.983 1.632 284 H ASP 40 H ASP 40 3.599 3.120 7.852 285 HA ASP 40 HA ASP 40 5.474 0.838 8.297 286 1HB ASP 40 1HB ASP 40 5.603 1.463 10.603 287 2HB ASP 40 2HB ASP 40 6.008 2.853 9.624 288 H LYS 41 H LYS 41 4.739 -0.459 10.070 289 HA LYS 41 HA LYS 41 2.468 -2.049 9.697 290 1HB LYS 41 1HB LYS 41 3.759 -3.076 11.095 291 2HB LYS 41 2HB LYS 41 4.518 -1.589 11.684 292 1HG LYS 41 1HG LYS 41 2.352 -1.550 13.247 293 2HG LYS 41 2HG LYS 41 2.379 -3.280 12.878 294 1HD LYS 41 1HD LYS 41 4.684 -1.558 13.970 295 2HD LYS 41 2HD LYS 41 3.695 -2.692 14.882 296 1HE LYS 41 1HE LYS 41 5.740 -3.803 14.534 297 2HE LYS 41 2HE LYS 41 4.576 -4.570 13.472 298 1HZ LYS 41 1HZ LYS 41 6.705 -2.667 12.634 299 2HZ LYS 41 2HZ LYS 41 6.670 -4.300 12.454 300 3HZ LYS 41 3HZ LYS 41 5.680 -3.396 11.583 301 H LYS 42 H LYS 42 2.659 0.617 11.986 302 HA LYS 42 HA LYS 42 -0.037 0.665 12.843 303 1HB LYS 42 1HB LYS 42 2.021 2.789 12.377 304 2HB LYS 42 2HB LYS 42 0.460 3.192 13.120 305 1HG LYS 42 1HG LYS 42 0.945 2.054 15.087 306 2HG LYS 42 2HG LYS 42 2.101 0.966 14.322 307 1HD LYS 42 1HD LYS 42 3.121 2.626 15.870 308 2HD LYS 42 2HD LYS 42 3.836 2.574 14.263 309 1HE LYS 42 1HE LYS 42 1.749 4.671 15.056 310 2HE LYS 42 2HE LYS 42 3.483 4.863 15.350 311 1HZ LYS 42 1HZ LYS 42 3.769 4.426 12.902 312 2HZ LYS 42 2HZ LYS 42 2.188 4.687 12.725 313 3HZ LYS 42 3HZ LYS 42 3.131 5.892 13.318 314 H SER 43 H SER 43 1.405 2.756 10.219 315 HA SER 43 HA SER 43 -1.120 3.863 9.550 316 1HB SER 43 1HB SER 43 1.334 3.657 7.761 317 2HB SER 43 2HB SER 43 0.022 4.850 7.675 318 HG SER 43 HG SER 43 2.034 4.499 9.637 319 H ALA 44 H ALA 44 0.808 1.383 7.890 320 HA ALA 44 HA ALA 44 -0.723 0.565 5.773 321 1HB ALA 44 1HB ALA 44 0.373 -1.581 6.046 322 2HB ALA 44 2HB ALA 44 1.519 -0.254 6.387 323 3HB ALA 44 3HB ALA 44 0.824 -1.186 7.719 324 H HIS 45 H HIS 45 -0.898 -0.811 9.092 325 HA HIS 45 HA HIS 45 -3.425 -2.179 8.420 326 1HB HIS 45 1HB HIS 45 -1.386 -2.471 10.629 327 2HB HIS 45 2HB HIS 45 -3.005 -3.087 10.825 328 HD1 HIS 45 HND HIS 45 -3.734 -5.209 9.641 329 HD2 HIS 45 HD HIS 45 0.149 -3.892 8.720 330 HE1 HIS 45 HE HIS 45 -2.599 -7.109 8.429 331 H LYS 46 H LYS 46 -3.228 0.869 8.818 332 HA LYS 46 HA LYS 46 -5.669 0.921 10.541 333 1HB LYS 46 1HB LYS 46 -3.809 1.717 11.869 334 2HB LYS 46 2HB LYS 46 -3.372 2.913 10.652 335 1HG LYS 46 1HG LYS 46 -6.106 2.918 12.008 336 2HG LYS 46 2HG LYS 46 -4.666 3.638 12.753 337 1HD LYS 46 1HD LYS 46 -4.315 4.962 10.630 338 2HD LYS 46 2HD LYS 46 -5.942 4.448 10.125 339 1HE LYS 46 1HE LYS 46 -6.920 5.562 12.092 340 2HE LYS 46 2HE LYS 46 -5.299 6.083 12.607 341 1HZ LYS 46 1HZ LYS 46 -6.561 6.785 10.024 342 2HZ LYS 46 2HZ LYS 46 -6.384 7.840 11.307 343 3HZ LYS 46 3HZ LYS 46 -5.108 7.204 10.432 344 H ASP 47 H ASP 47 -3.762 3.130 8.472 345 HA ASP 47 HA ASP 47 -6.282 4.067 7.165 346 1HB ASP 47 1HB ASP 47 -3.447 5.211 7.289 347 2HB ASP 47 2HB ASP 47 -4.704 5.819 6.208 348 H ALA 48 H ALA 48 -2.943 3.107 6.356 349 HA ALA 48 HA ALA 48 -3.409 4.041 3.760 350 1HB ALA 48 1HB ALA 48 -1.093 3.466 3.325 351 2HB ALA 48 2HB ALA 48 -1.278 4.243 4.908 352 3HB ALA 48 3HB ALA 48 -1.010 2.497 4.816 353 H CYS 49 H CYS 49 -2.492 0.631 4.570 354 HA CYS 49 HA CYS 49 -3.213 -0.111 1.812 355 1HB CYS 49 1HB CYS 49 -2.077 -1.933 3.867 356 2HB CYS 49 2HB CYS 49 -1.964 -2.060 2.121 357 H LYS 50 H LYS 50 -3.984 -1.005 5.221 358 HA LYS 50 HA LYS 50 -5.810 -3.096 4.443 359 1HB LYS 50 1HB LYS 50 -4.342 -2.987 6.476 360 2HB LYS 50 2HB LYS 50 -5.383 -1.702 7.083 361 1HG LYS 50 1HG LYS 50 -7.255 -3.713 6.675 362 2HG LYS 50 2HG LYS 50 -5.805 -4.669 6.845 363 1HD LYS 50 1HD LYS 50 -6.950 -4.440 8.997 364 2HD LYS 50 2HD LYS 50 -5.345 -3.721 9.046 365 1HE LYS 50 1HE LYS 50 -7.049 -2.397 10.276 366 2HE LYS 50 2HE LYS 50 -6.228 -1.468 9.034 367 1HZ LYS 50 1HZ LYS 50 -8.081 -1.718 7.599 368 2HZ LYS 50 2HZ LYS 50 -8.916 -2.587 8.725 369 3HZ LYS 50 3HZ LYS 50 -8.516 -1.010 9.000 370 H THR 51 H THR 51 -6.766 -0.878 3.120 371 HA THR 51 HA THR 51 -9.415 -0.400 4.336 372 HB THR 51 HB THR 51 -7.613 1.962 3.655 373 HG1 THR 51 HG1 THR 51 -7.116 2.067 5.679 374 1HG2 THR 51 1HG2 THR 51 -10.319 1.793 5.057 375 2HG2 THR 51 2HG2 THR 51 -9.363 3.266 4.800 376 3HG2 THR 51 3HG2 THR 51 -10.052 2.409 3.409 377 H CYS 52 H CYS 52 -7.345 1.050 1.742 378 HA CYS 52 HA CYS 52 -9.223 1.387 -0.236 379 1HB CYS 52 1HB CYS 52 -6.292 0.664 -0.207 380 2HB CYS 52 2HB CYS 52 -7.189 0.661 -1.719 381 H HIS 53 H HIS 53 -7.183 -1.561 0.039 382 HA HIS 53 HA HIS 53 -8.589 -2.962 -1.949 383 1HB HIS 53 1HB HIS 53 -7.313 -4.488 0.300 384 2HB HIS 53 2HB HIS 53 -7.407 -4.875 -1.414 385 HD1 HIS 53 HND HIS 53 -5.478 -2.642 1.067 386 HD2 HIS 53 HD HIS 53 -5.558 -3.484 -3.082 387 HE1 HIS 53 HE HIS 53 -3.565 -1.466 0.010 388 H LYS 54 H LYS 54 -9.455 -2.373 1.412 389 HA LYS 54 HA LYS 54 -11.394 -4.560 1.600 390 1HB LYS 54 1HB LYS 54 -10.912 -2.295 3.517 391 2HB LYS 54 2HB LYS 54 -11.876 -3.748 3.767 392 1HG LYS 54 1HG LYS 54 -8.861 -3.600 3.366 393 2HG LYS 54 2HG LYS 54 -9.774 -3.971 4.838 394 1HD LYS 54 1HD LYS 54 -10.748 -5.960 3.508 395 2HD LYS 54 2HD LYS 54 -9.421 -5.646 2.354 396 1HE LYS 54 1HE LYS 54 -7.737 -6.212 3.948 397 2HE LYS 54 2HE LYS 54 -8.851 -6.030 5.311 398 1HZ LYS 54 1HZ LYS 54 -8.868 -8.316 3.415 399 2HZ LYS 54 2HZ LYS 54 -8.469 -8.302 4.973 400 3HZ LYS 54 3HZ LYS 54 -10.016 -8.013 4.544 401 H SER 55 H SER 55 -11.938 -3.203 -0.636 402 HA SER 55 HA SER 55 -14.613 -2.416 -0.442 403 1HB SER 55 1HB SER 55 -14.495 -0.089 -1.216 404 2HB SER 55 2HB SER 55 -13.784 -0.240 0.395 405 HG SER 55 HG SER 55 -11.690 -0.308 -0.708 406 H ASN 56 H ASN 56 -11.657 -1.662 -2.312 407 HA ASN 56 HA ASN 56 -12.644 -2.270 -4.895 408 1HB ASN 56 1HB ASN 56 -9.822 -2.481 -3.761 409 2HB ASN 56 2HB ASN 56 -10.222 -2.740 -5.457 410 1HD2 ASN 56 1HD2 ASN 56 -9.979 -0.253 -2.900 411 2HD2 ASN 56 2HD2 ASN 56 -10.115 1.087 -4.022 412 H ASN 57 H ASN 57 -10.771 -4.452 -2.697 413 HA ASN 57 HA ASN 57 -12.264 -6.769 -3.306 414 1HB ASN 57 1HB ASN 57 -11.082 -6.631 -5.520 415 2HB ASN 57 2HB ASN 57 -9.535 -6.697 -4.672 416 1HD2 ASN 57 1HD2 ASN 57 -11.751 -8.584 -6.311 417 2HD2 ASN 57 2HD2 ASN 57 -11.386 -10.131 -5.563 418 H GLY 58 H GLY 58 -12.119 -7.577 -1.262 419 1HA GLY 58 1HA GLY 58 -9.777 -6.886 0.398 420 2HA GLY 58 2HA GLY 58 -11.366 -7.393 0.917 421 HA PRO 59 HA PRO 59 -8.877 -11.489 0.091 422 1HB PRO 59 1HB PRO 59 -6.285 -11.374 0.939 423 2HB PRO 59 2HB PRO 59 -6.761 -11.060 -0.754 424 1HG PRO 59 1HG PRO 59 -6.260 -9.015 1.421 425 2HG PRO 59 2HG PRO 59 -5.591 -9.036 -0.239 426 1HD PRO 59 1HD PRO 59 -7.739 -7.539 0.359 427 2HD PRO 59 2HD PRO 59 -7.687 -8.432 -1.187 428 H THR 60 H THR 60 -8.833 -12.922 1.777 429 HA THR 60 HA THR 60 -9.726 -11.856 4.369 430 HB THR 60 HB THR 60 -10.555 -14.310 4.416 431 HG1 THR 60 HG1 THR 60 -10.593 -15.122 2.139 432 1HG2 THR 60 1HG2 THR 60 -12.405 -13.879 2.837 433 2HG2 THR 60 2HG2 THR 60 -12.045 -12.425 3.783 434 3HG2 THR 60 3HG2 THR 60 -11.497 -12.544 2.099 435 H LYS 61 H LYS 61 -7.962 -14.637 3.106 436 HA LYS 61 HA LYS 61 -6.603 -15.204 5.636 437 1HB LYS 61 1HB LYS 61 -6.318 -16.377 2.842 438 2HB LYS 61 2HB LYS 61 -5.515 -17.030 4.269 439 1HG LYS 61 1HG LYS 61 -8.548 -16.824 3.992 440 2HG LYS 61 2HG LYS 61 -7.574 -18.236 3.560 441 1HD LYS 61 1HD LYS 61 -6.662 -18.277 5.914 442 2HD LYS 61 2HD LYS 61 -7.832 -17.009 6.340 443 1HE LYS 61 1HE LYS 61 -9.702 -18.506 5.653 444 2HE LYS 61 2HE LYS 61 -8.537 -19.759 5.191 445 1HZ LYS 61 1HZ LYS 61 -7.838 -19.881 7.481 446 2HZ LYS 61 2HZ LYS 61 -8.924 -18.724 7.921 447 3HZ LYS 61 3HZ LYS 61 -9.448 -20.172 7.349 448 H CYS 62 H CYS 62 -5.859 -12.744 5.310 449 HA CYS 62 HA CYS 62 -4.218 -11.233 4.912 450 1HB CYS 62 1HB CYS 62 -2.443 -13.618 5.535 451 2HB CYS 62 2HB CYS 62 -1.992 -11.911 5.710 452 H GLY 63 H GLY 63 -1.499 -12.713 3.795 453 1HA GLY 63 1HA GLY 63 -0.731 -13.642 1.882 454 2HA GLY 63 2HA GLY 63 -2.401 -13.811 1.333 455 H GLY 64 H GLY 64 -3.218 -11.208 1.105 456 1HA GLY 64 1HA GLY 64 -2.726 -10.357 -1.381 457 2HA GLY 64 2HA GLY 64 -3.052 -9.238 -0.034 458 H CYS 65 H CYS 65 -0.965 -9.043 1.408 459 HA CYS 65 HA CYS 65 0.904 -7.585 -0.380 460 1HB CYS 65 1HB CYS 65 0.304 -7.264 2.539 461 2HB CYS 65 2HB CYS 65 1.086 -6.084 1.487 462 H HIS 66 H HIS 66 0.963 -9.454 2.694 463 HA HIS 66 HA HIS 66 3.842 -9.761 2.676 464 1HB HIS 66 1HB HIS 66 1.710 -11.408 4.116 465 2HB HIS 66 2HB HIS 66 3.429 -11.478 4.394 466 HD1 HIS 66 HND HIS 66 4.382 -8.673 4.823 467 HD2 HIS 66 HD HIS 66 0.425 -9.715 5.722 468 HE1 HIS 66 HE HIS 66 3.508 -6.990 6.543 469 H ILE 67 H ILE 67 4.950 -11.042 1.292 470 HA ILE 67 HA ILE 67 3.486 -13.023 -0.326 471 HB ILE 67 HB ILE 67 6.450 -12.339 -0.429 472 1HG1 ILE 67 1HG1 ILE 67 5.426 -11.034 -2.577 473 2HG1 ILE 67 2HG1 ILE 67 4.076 -10.796 -1.472 474 1HG2 ILE 67 1HG2 ILE 67 5.661 -14.424 -1.605 475 2HG2 ILE 67 2HG2 ILE 67 4.494 -13.439 -2.501 476 3HG2 ILE 67 3HG2 ILE 67 6.239 -13.190 -2.728 477 1HD1 ILE 67 1HD1 ILE 67 5.736 -8.943 -1.479 478 2HD1 ILE 67 2HD1 ILE 67 5.652 -9.667 0.129 479 3HD1 ILE 67 3HD1 ILE 67 7.006 -10.057 -0.953 480 H LYS 68 H LYS 68 3.106 -13.854 2.143 481 HA LYS 68 HA LYS 68 4.497 -16.239 2.701 482 1HB LYS 68 1HB LYS 68 6.043 -13.957 3.342 483 2HB LYS 68 2HB LYS 68 5.180 -14.269 4.834 484 1HG LYS 68 1HG LYS 68 7.131 -15.454 5.086 485 2HG LYS 68 2HG LYS 68 5.973 -16.714 4.606 486 1HD LYS 68 1HD LYS 68 6.760 -16.559 2.248 487 2HD LYS 68 2HD LYS 68 7.857 -15.251 2.661 488 1HE LYS 68 1HE LYS 68 8.011 -18.139 3.662 489 2HE LYS 68 2HE LYS 68 9.034 -17.403 2.418 490 1HZ LYS 68 1HZ LYS 68 9.851 -15.873 4.092 491 2HZ LYS 68 2HZ LYS 68 8.946 -16.615 5.251 492 3HZ LYS 68 3HZ LYS 68 10.158 -17.437 4.504 493 HHA HEC 69 HCM HEC 69 8.362 7.117 -1.969 494 HHB HEC 69 HDM HEC 69 6.562 10.766 -6.894 495 HHC HEC 69 HAM HEC 69 1.293 7.133 -7.454 496 HHD HEC 69 HBM HEC 69 2.453 4.924 -1.598 497 1HMA HEC 69 HM81 HEC 69 8.359 11.839 -5.632 498 2HMA HEC 69 HM82 HEC 69 9.884 11.107 -5.112 499 3HMA HEC 69 HM83 HEC 69 9.180 10.648 -6.672 500 1HAA HEC 69 HP71 HEC 69 10.175 10.062 -3.031 501 2HAA HEC 69 HP72 HEC 69 10.000 8.418 -2.438 502 1HBA HEC 69 HP73 HEC 69 10.942 7.504 -4.477 503 2HBA HEC 69 HP74 HEC 69 11.150 9.133 -5.135 504 1HMB HEC 69 HM11 HEC 69 3.728 11.607 -9.133 505 2HMB HEC 69 HM12 HEC 69 5.215 11.792 -8.248 506 3HMB HEC 69 HM13 HEC 69 5.178 10.725 -9.673 507 HAB HEC 69 HT2A HEC 69 1.283 8.523 -9.024 508 1HBB HEC 69 HT21 HEC 69 2.852 10.422 -10.758 509 2HBB HEC 69 HT22 HEC 69 2.978 8.653 -10.838 510 3HBB HEC 69 HT23 HEC 69 1.432 9.450 -11.147 511 1HMC HEC 69 HM31 HEC 69 -0.763 6.597 -6.306 512 2HMC HEC 69 HM32 HEC 69 -0.140 5.043 -6.922 513 3HMC HEC 69 HM33 HEC 69 -1.167 5.093 -5.484 514 HAC HEC 69 HT4A HEC 69 0.386 4.710 -1.936 515 1HBC HEC 69 HT41 HEC 69 -1.107 3.329 -4.147 516 2HBC HEC 69 HT42 HEC 69 0.416 2.703 -3.485 517 3HBC HEC 69 HT43 HEC 69 -0.997 2.925 -2.442 518 1HMD HEC 69 HM51 HEC 69 3.680 5.149 0.744 519 2HMD HEC 69 HM52 HEC 69 3.886 3.673 -0.218 520 3HMD HEC 69 HM53 HEC 69 5.181 4.191 0.869 521 1HAD HEC 69 HP61 HEC 69 7.965 6.631 0.005 522 2HAD HEC 69 HP62 HEC 69 6.839 5.866 1.059 523 1HBD HEC 69 HP63 HEC 69 8.093 3.993 1.014 524 2HBD HEC 69 HP64 HEC 69 7.961 3.881 -0.753 525 HHA HEC 70 HCM HEC 70 -3.950 -4.595 -6.241 526 HHB HEC 70 HDM HEC 70 0.147 -4.379 -1.346 527 HHC HEC 70 HAM HEC 70 -1.958 1.445 0.207 528 HHD HEC 70 HBM HEC 70 -6.263 1.052 -4.468 529 1HMA HEC 70 HM81 HEC 70 -0.340 -7.368 -3.606 530 2HMA HEC 70 HM82 HEC 70 0.815 -6.109 -3.114 531 3HMA HEC 70 HM83 HEC 70 -0.437 -6.679 -1.985 532 1HAA HEC 70 HP71 HEC 70 -2.678 -6.364 -6.378 533 2HAA HEC 70 HP72 HEC 70 -1.360 -7.180 -5.582 534 1HBA HEC 70 HP73 HEC 70 -2.911 -7.894 -3.756 535 2HBA HEC 70 HP74 HEC 70 -4.238 -7.096 -4.612 536 1HMB HEC 70 HM11 HEC 70 0.442 -3.918 0.923 537 2HMB HEC 70 HM12 HEC 70 1.851 -3.126 0.232 538 3HMB HEC 70 HM13 HEC 70 1.147 -2.546 1.761 539 HAB HEC 70 HT2A HEC 70 -0.321 1.057 1.432 540 1HBB HEC 70 HT21 HEC 70 1.905 0.813 0.505 541 2HBB HEC 70 HT22 HEC 70 1.949 0.887 2.275 542 3HBB HEC 70 HT23 HEC 70 2.189 -0.644 1.470 543 1HMC HEC 70 HM31 HEC 70 -4.412 3.523 0.176 544 2HMC HEC 70 HM32 HEC 70 -2.678 3.479 -0.204 545 3HMC HEC 70 HM33 HEC 70 -3.770 4.376 -1.239 546 HAC HEC 70 HT4A HEC 70 -6.977 2.375 -3.073 547 1HBC HEC 70 HT41 HEC 70 -6.003 4.116 -4.169 548 2HBC HEC 70 HT42 HEC 70 -7.133 4.779 -2.985 549 3HBC HEC 70 HT43 HEC 70 -5.385 4.886 -2.674 550 1HMD HEC 70 HM51 HEC 70 -8.007 -1.099 -6.782 551 2HMD HEC 70 HM52 HEC 70 -7.558 0.385 -5.955 552 3HMD HEC 70 HM53 HEC 70 -6.817 -0.006 -7.516 553 1HAD HEC 70 HP61 HEC 70 -5.962 -4.301 -7.228 554 2HAD HEC 70 HP62 HEC 70 -7.145 -3.057 -7.533 555 1HBD HEC 70 HP63 HEC 70 -6.193 -3.236 -9.596 556 2HBD HEC 70 HP64 HEC 70 -5.293 -1.870 -8.935 557 HHA HEC 71 HCM HEC 71 3.930 -4.772 9.216 558 HHB HEC 71 HDM HEC 71 0.294 -9.732 10.998 559 HHC HEC 71 HAM HEC 71 -2.864 -9.395 5.463 560 HHD HEC 71 HBM HEC 71 0.382 -4.112 3.970 561 1HMA HEC 71 HM81 HEC 71 3.282 -9.199 12.470 562 2HMA HEC 71 HM82 HEC 71 2.466 -7.848 13.274 563 3HMA HEC 71 HM83 HEC 71 1.518 -9.209 12.697 564 1HAA HEC 71 HP71 HEC 71 4.632 -5.438 11.133 565 2HAA HEC 71 HP72 HEC 71 4.209 -6.467 12.501 566 1HBA HEC 71 HP73 HEC 71 5.459 -8.285 11.703 567 2HBA HEC 71 HP74 HEC 71 5.542 -7.624 10.073 568 1HMB HEC 71 HM11 HEC 71 -2.233 -12.267 9.863 569 2HMB HEC 71 HM12 HEC 71 -0.640 -11.822 10.461 570 3HMB HEC 71 HM13 HEC 71 -2.083 -10.999 11.103 571 HAB HEC 71 HT2A HEC 71 -4.135 -10.375 6.949 572 1HBB HEC 71 HT21 HEC 71 -4.693 -9.619 9.206 573 2HBB HEC 71 HT22 HEC 71 -5.601 -11.050 8.682 574 3HBB HEC 71 HT23 HEC 71 -4.281 -11.223 9.841 575 1HMC HEC 71 HM31 HEC 71 -2.940 -9.029 3.201 576 2HMC HEC 71 HM32 HEC 71 -4.169 -7.863 3.745 577 3HMC HEC 71 HM33 HEC 71 -3.255 -7.588 2.251 578 HAC HEC 71 HT4A HEC 71 -1.098 -4.349 2.542 579 1HBC HEC 71 HT41 HEC 71 -3.893 -5.477 2.269 580 2HBC HEC 71 HT42 HEC 71 -3.422 -4.053 3.211 581 3HBC HEC 71 HT43 HEC 71 -3.201 -4.078 1.446 582 1HMD HEC 71 HM51 HEC 71 3.483 -2.847 4.110 583 2HMD HEC 71 HM52 HEC 71 1.758 -2.432 3.999 584 3HMD HEC 71 HM53 HEC 71 2.808 -1.559 5.099 585 1HAD HEC 71 HP61 HEC 71 4.383 -1.962 6.621 586 2HAD HEC 71 HP62 HEC 71 3.935 -2.350 8.257 587 1HBD HEC 71 HP63 HEC 71 5.466 -4.517 7.617 588 2HBD HEC 71 HP64 HEC 71 6.243 -3.223 6.707 Start of MODEL 6 1 1H ALA 1 1H ALA 1 11.786 3.117 -5.574 2 2H ALA 1 2H ALA 1 12.279 4.665 -5.927 3 3H ALA 1 3H ALA 1 10.699 4.261 -5.980 4 HA ALA 1 HA ALA 1 11.617 4.415 -8.200 5 1HB ALA 1 1HB ALA 1 13.878 3.548 -7.642 6 2HB ALA 1 2HB ALA 1 13.180 1.952 -7.285 7 3HB ALA 1 3HB ALA 1 13.130 2.596 -8.937 8 H ASP 2 H ASP 2 10.837 2.746 -9.930 9 HA ASP 2 HA ASP 2 8.391 1.727 -9.532 10 1HB ASP 2 1HB ASP 2 10.548 0.410 -11.261 11 2HB ASP 2 2HB ASP 2 8.809 0.408 -11.547 12 H VAL 3 H VAL 3 7.693 0.334 -8.042 13 HA VAL 3 HA VAL 3 7.342 -1.485 -6.836 14 HB VAL 3 HB VAL 3 9.577 -2.990 -8.227 15 1HG1 VAL 3 1HG1 VAL 3 8.186 -4.937 -7.643 16 2HG1 VAL 3 2HG1 VAL 3 8.625 -4.028 -6.189 17 3HG1 VAL 3 3HG1 VAL 3 6.992 -3.878 -6.873 18 1HG2 VAL 3 1HG2 VAL 3 6.681 -2.648 -9.136 19 2HG2 VAL 3 2HG2 VAL 3 8.131 -2.140 -10.022 20 3HG2 VAL 3 3HG2 VAL 3 7.814 -3.854 -9.760 21 H VAL 4 H VAL 4 7.761 -1.339 -4.719 22 HA VAL 4 HA VAL 4 10.617 -1.306 -3.780 23 HB VAL 4 HB VAL 4 8.253 0.289 -2.819 24 1HG1 VAL 4 1HG1 VAL 4 11.004 -0.084 -1.522 25 2HG1 VAL 4 2HG1 VAL 4 9.854 1.183 -1.060 26 3HG1 VAL 4 3HG1 VAL 4 9.444 -0.507 -0.800 27 1HG2 VAL 4 1HG2 VAL 4 9.755 2.217 -3.176 28 2HG2 VAL 4 2HG2 VAL 4 10.973 1.114 -3.862 29 3HG2 VAL 4 3HG2 VAL 4 9.396 1.329 -4.664 30 H THR 5 H THR 5 10.837 -2.271 -1.638 31 HA THR 5 HA THR 5 8.385 -3.347 -0.626 32 HB THR 5 HB THR 5 9.445 -5.411 -1.355 33 HG1 THR 5 HG1 THR 5 8.668 -5.131 0.820 34 1HG2 THR 5 1HG2 THR 5 11.730 -4.744 -1.776 35 2HG2 THR 5 2HG2 THR 5 12.007 -4.396 -0.061 36 3HG2 THR 5 3HG2 THR 5 11.743 -6.066 -0.596 37 H TYR 6 H TYR 6 8.092 -3.265 1.497 38 HA TYR 6 HA TYR 6 9.563 -1.267 2.939 39 1HB TYR 6 1HB TYR 6 7.473 -3.202 3.935 40 2HB TYR 6 2HB TYR 6 8.074 -1.797 4.808 41 HD1 TYR 6 HD1 TYR 6 5.300 -2.822 3.125 42 HD2 TYR 6 HD2 TYR 6 8.061 0.478 3.176 43 HE1 TYR 6 HE1 TYR 6 3.728 -1.484 1.759 44 HE2 TYR 6 HE2 TYR 6 6.494 1.799 1.827 45 HH TYR 6 HH TYR 6 4.327 1.947 1.065 46 H GLU 7 H GLU 7 10.215 -4.640 2.563 47 HA GLU 7 HA GLU 7 11.313 -6.199 3.744 48 1HB GLU 7 1HB GLU 7 13.011 -3.853 4.392 49 2HB GLU 7 2HB GLU 7 13.483 -5.566 4.502 50 1HG GLU 7 1HG GLU 7 12.959 -5.746 2.002 51 2HG GLU 7 2HG GLU 7 12.782 -3.973 2.004 52 H ASN 8 H ASN 8 10.005 -6.944 5.255 53 HA ASN 8 HA ASN 8 10.077 -6.093 8.081 54 1HB ASN 8 1HB ASN 8 7.537 -6.252 8.022 55 2HB ASN 8 2HB ASN 8 8.207 -4.880 7.127 56 1HD2 ASN 8 1HD2 ASN 8 6.929 -8.197 6.682 57 2HD2 ASN 8 2HD2 ASN 8 6.558 -7.987 4.965 58 H LYS 9 H LYS 9 9.244 -7.962 9.445 59 HA LYS 9 HA LYS 9 10.668 -10.218 8.323 60 1HB LYS 9 1HB LYS 9 10.667 -11.175 10.446 61 2HB LYS 9 2HB LYS 9 10.825 -9.436 10.663 62 1HG LYS 9 1HG LYS 9 8.197 -9.525 11.013 63 2HG LYS 9 2HG LYS 9 8.422 -11.262 11.143 64 1HD LYS 9 1HD LYS 9 8.287 -10.169 13.323 65 2HD LYS 9 2HD LYS 9 9.821 -11.020 13.102 66 1HE LYS 9 1HE LYS 9 11.037 -9.120 13.393 67 2HE LYS 9 2HE LYS 9 10.056 -8.209 12.235 68 1HZ LYS 9 1HZ LYS 9 8.502 -7.685 13.782 69 2HZ LYS 9 2HZ LYS 9 9.193 -8.594 14.994 70 3HZ LYS 9 3HZ LYS 9 9.954 -7.258 14.382 71 H LYS 10 H LYS 10 7.289 -9.503 8.663 72 HA LYS 10 HA LYS 10 6.075 -12.055 8.460 73 1HB LYS 10 1HB LYS 10 5.373 -9.502 6.971 74 2HB LYS 10 2HB LYS 10 4.328 -10.919 7.063 75 1HG LYS 10 1HG LYS 10 5.179 -9.176 9.401 76 2HG LYS 10 2HG LYS 10 3.639 -9.113 8.571 77 1HD LYS 10 1HD LYS 10 2.940 -10.497 10.204 78 2HD LYS 10 2HD LYS 10 3.623 -11.746 9.164 79 1HE LYS 10 1HE LYS 10 5.825 -11.452 10.537 80 2HE LYS 10 2HE LYS 10 4.905 -10.408 11.611 81 1HZ LYS 10 1HZ LYS 10 5.008 -12.658 12.408 82 2HZ LYS 10 2HZ LYS 10 3.448 -12.283 12.054 83 3HZ LYS 10 3HZ LYS 10 4.319 -13.240 11.036 84 H GLY 11 H GLY 11 7.481 -10.073 5.872 85 1HA GLY 11 1HA GLY 11 8.935 -11.903 4.612 86 2HA GLY 11 2HA GLY 11 7.349 -12.312 3.933 87 H ASN 12 H ASN 12 8.819 -9.151 4.745 88 HA ASN 12 HA ASN 12 9.342 -7.264 3.452 89 1HB ASN 12 1HB ASN 12 10.077 -9.422 1.528 90 2HB ASN 12 2HB ASN 12 10.624 -7.758 1.436 91 1HD2 ASN 12 1HD2 ASN 12 10.736 -8.807 4.838 92 2HD2 ASN 12 2HD2 ASN 12 12.451 -9.092 4.746 93 H VAL 13 H VAL 13 7.287 -6.523 3.221 94 HA VAL 13 HA VAL 13 5.287 -7.427 1.331 95 HB VAL 13 HB VAL 13 5.733 -4.875 2.895 96 1HG1 VAL 13 1HG1 VAL 13 4.561 -4.069 0.935 97 2HG1 VAL 13 2HG1 VAL 13 3.493 -5.500 0.914 98 3HG1 VAL 13 3HG1 VAL 13 3.356 -4.282 2.186 99 1HG2 VAL 13 1HG2 VAL 13 3.568 -7.001 3.097 100 2HG2 VAL 13 2HG2 VAL 13 5.001 -6.857 4.142 101 3HG2 VAL 13 3HG2 VAL 13 3.777 -5.584 4.154 102 H THR 14 H THR 14 5.632 -7.355 -0.838 103 HA THR 14 HA THR 14 7.209 -5.245 -2.110 104 HB THR 14 HB THR 14 5.456 -7.441 -3.293 105 HG1 THR 14 HG1 THR 14 7.494 -8.471 -3.533 106 1HG2 THR 14 1HG2 THR 14 5.915 -5.671 -4.949 107 2HG2 THR 14 2HG2 THR 14 7.643 -5.699 -4.524 108 3HG2 THR 14 3HG2 THR 14 6.888 -7.097 -5.316 109 H PHE 15 H PHE 15 6.311 -3.497 -3.233 110 HA PHE 15 HA PHE 15 3.433 -3.523 -3.776 111 1HB PHE 15 1HB PHE 15 2.960 -1.347 -2.863 112 2HB PHE 15 2HB PHE 15 3.470 -2.459 -1.600 113 HD1 PHE 15 HD1 PHE 15 4.120 0.722 -3.204 114 HD2 PHE 15 HD2 PHE 15 5.843 -2.359 -0.716 115 HE1 PHE 15 HE1 PHE 15 5.770 2.349 -2.323 116 HE2 PHE 15 HE2 PHE 15 7.455 -0.729 0.178 117 HZ PHE 15 HZ PHE 15 7.393 1.624 -0.571 118 H ASP 16 H ASP 16 3.397 -3.299 -5.861 119 HA ASP 16 HA ASP 16 5.303 -2.052 -7.451 120 1HB ASP 16 1HB ASP 16 2.401 -2.687 -8.063 121 2HB ASP 16 2HB ASP 16 3.735 -2.468 -9.228 122 H HIS 17 H HIS 17 5.586 -0.095 -6.270 123 HA HIS 17 HA HIS 17 4.016 2.059 -5.865 124 1HB HIS 17 1HB HIS 17 6.471 1.871 -5.412 125 2HB HIS 17 2HB HIS 17 6.817 2.119 -7.106 126 HD1 HIS 17 HND HIS 17 7.294 4.593 -7.721 127 HD2 HIS 17 HD HIS 17 4.840 4.093 -4.337 128 HE1 HIS 17 HE HIS 17 6.753 6.934 -6.822 129 H LYS 18 H LYS 18 5.883 1.865 -8.906 130 HA LYS 18 HA LYS 18 4.629 3.876 -10.336 131 1HB LYS 18 1HB LYS 18 6.684 2.975 -11.097 132 2HB LYS 18 2HB LYS 18 6.047 1.322 -11.195 133 1HG LYS 18 1HG LYS 18 4.678 1.817 -13.052 134 2HG LYS 18 2HG LYS 18 4.901 3.572 -12.872 135 1HD LYS 18 1HD LYS 18 7.320 3.276 -13.384 136 2HD LYS 18 2HD LYS 18 7.054 1.543 -13.620 137 1HE LYS 18 1HE LYS 18 5.837 3.835 -15.252 138 2HE LYS 18 2HE LYS 18 7.175 2.790 -15.762 139 1HZ LYS 18 1HZ LYS 18 5.055 2.089 -16.698 140 2HZ LYS 18 2HZ LYS 18 5.623 0.920 -15.680 141 3HZ LYS 18 3HZ LYS 18 4.408 1.919 -15.222 142 H ALA 19 H ALA 19 3.870 0.375 -10.461 143 HA ALA 19 HA ALA 19 1.717 0.415 -12.214 144 1HB ALA 19 1HB ALA 19 2.671 -1.632 -11.173 145 2HB ALA 19 2HB ALA 19 1.869 -1.144 -9.648 146 3HB ALA 19 3HB ALA 19 0.890 -1.568 -11.061 147 H HIS 20 H HIS 20 1.491 0.751 -8.610 148 HA HIS 20 HA HIS 20 -1.314 1.261 -8.479 149 1HB HIS 20 1HB HIS 20 1.047 1.973 -6.695 150 2HB HIS 20 2HB HIS 20 -0.557 2.592 -6.366 151 HD1 HIS 20 HND HIS 20 1.112 -0.860 -6.733 152 HD2 HIS 20 HD HIS 20 -2.097 1.113 -4.866 153 HE1 HIS 20 HE HIS 20 -0.049 -2.574 -5.213 154 H ALA 21 H ALA 21 1.514 3.304 -9.068 155 HA ALA 21 HA ALA 21 0.119 5.815 -8.909 156 1HB ALA 21 1HB ALA 21 2.573 5.317 -10.624 157 2HB ALA 21 2HB ALA 21 1.980 6.823 -9.935 158 3HB ALA 21 3HB ALA 21 2.620 5.533 -8.869 159 H GLU 22 H GLU 22 0.930 3.891 -11.809 160 HA GLU 22 HA GLU 22 -0.365 5.818 -13.554 161 1HB GLU 22 1HB GLU 22 0.188 4.371 -15.387 162 2HB GLU 22 2HB GLU 22 1.565 4.508 -14.286 163 1HG GLU 22 1HG GLU 22 0.834 2.272 -13.291 164 2HG GLU 22 2HG GLU 22 -0.297 2.127 -14.653 165 H LYS 23 H LYS 23 -1.259 2.595 -12.296 166 HA LYS 23 HA LYS 23 -3.745 2.276 -13.553 167 1HB LYS 23 1HB LYS 23 -2.723 1.496 -10.786 168 2HB LYS 23 2HB LYS 23 -4.182 0.840 -11.501 169 1HG LYS 23 1HG LYS 23 -1.529 0.670 -13.017 170 2HG LYS 23 2HG LYS 23 -1.829 -0.426 -11.679 171 1HD LYS 23 1HD LYS 23 -3.733 -0.020 -13.999 172 2HD LYS 23 2HD LYS 23 -2.410 -1.216 -14.006 173 1HE LYS 23 1HE LYS 23 -3.365 -2.044 -11.729 174 2HE LYS 23 2HE LYS 23 -4.835 -1.142 -12.112 175 1HZ LYS 23 1HZ LYS 23 -3.715 -3.334 -13.714 176 2HZ LYS 23 2HZ LYS 23 -4.877 -3.447 -12.584 177 3HZ LYS 23 3HZ LYS 23 -5.178 -2.574 -13.961 178 H LEU 24 H LEU 24 -2.957 3.779 -10.399 179 HA LEU 24 HA LEU 24 -5.806 4.413 -9.984 180 1HB LEU 24 1HB LEU 24 -3.511 4.850 -8.073 181 2HB LEU 24 2HB LEU 24 -5.233 4.741 -7.706 182 HG LEU 24 HG LEU 24 -3.683 2.385 -8.888 183 1HD1 LEU 24 1HD1 LEU 24 -2.657 3.074 -6.756 184 2HD1 LEU 24 2HD1 LEU 24 -4.186 2.800 -5.942 185 3HD1 LEU 24 3HD1 LEU 24 -3.391 1.455 -6.766 186 1HD2 LEU 24 1HD2 LEU 24 -5.478 1.067 -8.009 187 2HD2 LEU 24 2HD2 LEU 24 -6.320 2.513 -7.405 188 3HD2 LEU 24 3HD2 LEU 24 -6.110 2.258 -9.154 189 H GLY 25 H GLY 25 -2.629 6.213 -10.033 190 1HA GLY 25 1HA GLY 25 -2.986 8.134 -11.605 191 2HA GLY 25 2HA GLY 25 -4.068 8.796 -10.352 192 H CYS 26 H CYS 26 -3.150 8.974 -8.200 193 HA CYS 26 HA CYS 26 -0.453 8.750 -7.445 194 1HB CYS 26 1HB CYS 26 -0.427 10.778 -9.333 195 2HB CYS 26 2HB CYS 26 -0.899 11.692 -7.925 196 H ASP 27 H ASP 27 -3.150 10.778 -7.469 197 HA ASP 27 HA ASP 27 -3.640 11.968 -5.001 198 1HB ASP 27 1HB ASP 27 -5.997 11.637 -5.740 199 2HB ASP 27 2HB ASP 27 -4.980 12.275 -7.033 200 H ALA 28 H ALA 28 -4.239 8.767 -6.196 201 HA ALA 28 HA ALA 28 -5.419 7.177 -4.434 202 1HB ALA 28 1HB ALA 28 -4.330 6.387 -6.423 203 2HB ALA 28 2HB ALA 28 -2.727 6.793 -5.799 204 3HB ALA 28 3HB ALA 28 -3.626 5.453 -5.079 205 H CYS 29 H CYS 29 -2.078 8.291 -3.989 206 HA CYS 29 HA CYS 29 -2.218 7.581 -1.069 207 1HB CYS 29 1HB CYS 29 0.188 7.240 -2.831 208 2HB CYS 29 2HB CYS 29 -0.009 6.739 -1.137 209 H HIS 30 H HIS 30 -0.893 9.770 -3.584 210 HA HIS 30 HA HIS 30 0.378 11.446 -1.451 211 1HB HIS 30 1HB HIS 30 0.990 11.135 -4.401 212 2HB HIS 30 2HB HIS 30 1.716 12.320 -3.337 213 HD1 HIS 30 HND HIS 30 3.564 11.369 -1.611 214 HD2 HIS 30 HD HIS 30 2.088 8.833 -4.553 215 HE1 HIS 30 HE HIS 30 5.383 9.531 -2.061 216 H GLU 31 H GLU 31 -1.085 12.987 -0.988 217 HA GLU 31 HA GLU 31 -2.949 14.061 -2.977 218 1HB GLU 31 1HB GLU 31 -2.382 14.714 -0.039 219 2HB GLU 31 2HB GLU 31 -3.603 15.559 -1.033 220 1HG GLU 31 1HG GLU 31 -4.687 13.436 -1.477 221 2HG GLU 31 2HG GLU 31 -3.533 12.596 -0.416 222 H GLY 32 H GLY 32 -1.597 16.337 -0.850 223 1HA GLY 32 1HA GLY 32 -1.040 18.226 -2.921 224 2HA GLY 32 2HA GLY 32 -0.704 18.417 -1.197 225 H THR 33 H THR 33 0.505 16.624 -4.014 226 HA THR 33 HA THR 33 2.482 16.613 -5.053 227 HB THR 33 HB THR 33 3.738 18.287 -2.846 228 HG1 THR 33 HG1 THR 33 3.100 20.015 -4.058 229 1HG2 THR 33 1HG2 THR 33 5.371 17.196 -4.354 230 2HG2 THR 33 2HG2 THR 33 4.510 17.867 -5.760 231 3HG2 THR 33 3HG2 THR 33 5.310 18.947 -4.604 232 HA PRO 34 HA PRO 34 3.898 13.104 -2.641 233 1HB PRO 34 1HB PRO 34 5.485 11.815 -4.415 234 2HB PRO 34 2HB PRO 34 3.716 11.870 -4.637 235 1HG PRO 34 1HG PRO 34 5.750 13.653 -5.914 236 2HG PRO 34 2HG PRO 34 4.389 12.764 -6.676 237 1HD PRO 34 1HD PRO 34 4.193 15.405 -5.996 238 2HD PRO 34 2HD PRO 34 2.795 14.298 -5.832 239 H ALA 35 H ALA 35 5.519 12.937 -1.182 240 HA ALA 35 HA ALA 35 8.291 13.571 -1.840 241 1HB ALA 35 1HB ALA 35 6.753 15.142 0.284 242 2HB ALA 35 2HB ALA 35 8.516 15.169 0.051 243 3HB ALA 35 3HB ALA 35 7.444 15.801 -1.214 244 H LYS 36 H LYS 36 7.807 11.178 -1.585 245 HA LYS 36 HA LYS 36 7.598 9.255 -0.643 246 1HB LYS 36 1HB LYS 36 8.908 8.780 1.337 247 2HB LYS 36 2HB LYS 36 9.798 9.621 0.082 248 1HG LYS 36 1HG LYS 36 9.936 11.599 1.385 249 2HG LYS 36 2HG LYS 36 8.686 11.057 2.531 250 1HD LYS 36 1HD LYS 36 11.220 9.450 2.086 251 2HD LYS 36 2HD LYS 36 11.197 10.817 3.221 252 1HE LYS 36 1HE LYS 36 9.597 9.847 4.618 253 2HE LYS 36 2HE LYS 36 9.017 8.702 3.432 254 1HZ LYS 36 1HZ LYS 36 11.712 8.440 4.549 255 2HZ LYS 36 2HZ LYS 36 10.375 7.599 5.048 256 3HZ LYS 36 3HZ LYS 36 10.894 7.433 3.516 257 H ILE 37 H ILE 37 6.669 7.831 0.997 258 HA ILE 37 HA ILE 37 4.782 9.241 2.873 259 HB ILE 37 HB ILE 37 4.118 6.545 1.690 260 1HG1 ILE 37 1HG1 ILE 37 3.490 9.263 0.527 261 2HG1 ILE 37 2HG1 ILE 37 4.335 7.888 -0.224 262 1HG2 ILE 37 1HG2 ILE 37 2.394 8.761 2.885 263 2HG2 ILE 37 2HG2 ILE 37 1.860 7.128 2.444 264 3HG2 ILE 37 3HG2 ILE 37 2.975 7.349 3.788 265 1HD1 ILE 37 1HD1 ILE 37 1.380 8.139 0.424 266 2HD1 ILE 37 2HD1 ILE 37 2.150 7.924 -1.154 267 3HD1 ILE 37 3HD1 ILE 37 2.152 6.588 0.018 268 H ALA 38 H ALA 38 6.511 6.315 2.203 269 HA ALA 38 HA ALA 38 8.090 5.229 3.385 270 1HB ALA 38 1HB ALA 38 6.980 6.281 5.995 271 2HB ALA 38 2HB ALA 38 8.563 5.548 5.663 272 3HB ALA 38 3HB ALA 38 8.156 7.143 4.972 273 H ILE 39 H ILE 39 4.887 5.426 4.841 274 HA ILE 39 HA ILE 39 3.562 3.948 5.871 275 HB ILE 39 HB ILE 39 4.120 2.512 3.288 276 1HG1 ILE 39 1HG1 ILE 39 3.291 4.854 3.080 277 2HG1 ILE 39 2HG1 ILE 39 2.210 3.638 2.449 278 1HG2 ILE 39 1HG2 ILE 39 1.763 1.528 3.770 279 2HG2 ILE 39 2HG2 ILE 39 3.113 0.852 4.664 280 3HG2 ILE 39 3HG2 ILE 39 2.031 2.021 5.441 281 1HD1 ILE 39 1HD1 ILE 39 1.858 5.151 5.055 282 2HD1 ILE 39 2HD1 ILE 39 0.885 5.274 3.584 283 3HD1 ILE 39 3HD1 ILE 39 0.824 3.793 4.540 284 H ASP 40 H ASP 40 3.876 2.923 7.631 285 HA ASP 40 HA ASP 40 5.796 0.648 7.811 286 1HB ASP 40 1HB ASP 40 6.159 1.191 10.078 287 2HB ASP 40 2HB ASP 40 6.321 2.717 9.243 288 H LYS 41 H LYS 41 5.078 -0.673 9.645 289 HA LYS 41 HA LYS 41 2.694 -1.989 9.453 290 1HB LYS 41 1HB LYS 41 4.557 -2.664 10.854 291 2HB LYS 41 2HB LYS 41 4.168 -1.448 12.070 292 1HG LYS 41 1HG LYS 41 2.118 -3.525 11.205 293 2HG LYS 41 2HG LYS 41 3.419 -3.957 12.321 294 1HD LYS 41 1HD LYS 41 2.753 -2.271 13.923 295 2HD LYS 41 2HD LYS 41 1.467 -1.681 12.860 296 1HE LYS 41 1HE LYS 41 0.363 -3.901 12.911 297 2HE LYS 41 2HE LYS 41 1.617 -4.498 14.015 298 1HZ LYS 41 1HZ LYS 41 -0.245 -2.281 14.573 299 2HZ LYS 41 2HZ LYS 41 -0.357 -3.805 15.181 300 3HZ LYS 41 3HZ LYS 41 0.908 -2.844 15.606 301 H LYS 42 H LYS 42 3.142 0.955 11.570 302 HA LYS 42 HA LYS 42 0.515 0.961 12.539 303 1HB LYS 42 1HB LYS 42 2.506 2.210 13.428 304 2HB LYS 42 2HB LYS 42 2.355 3.324 12.047 305 1HG LYS 42 1HG LYS 42 0.147 3.973 12.730 306 2HG LYS 42 2HG LYS 42 0.142 2.728 13.997 307 1HD LYS 42 1HD LYS 42 0.563 4.995 14.929 308 2HD LYS 42 2HD LYS 42 1.897 3.864 15.234 309 1HE LYS 42 1HE LYS 42 3.217 4.841 13.390 310 2HE LYS 42 2HE LYS 42 1.864 5.891 12.937 311 1HZ LYS 42 1HZ LYS 42 3.366 5.981 15.471 312 2HZ LYS 42 2HZ LYS 42 3.530 7.022 14.213 313 3HZ LYS 42 3HZ LYS 42 2.125 6.989 15.067 314 H SER 43 H SER 43 1.886 3.037 9.814 315 HA SER 43 HA SER 43 -0.659 4.100 9.138 316 1HB SER 43 1HB SER 43 1.771 3.613 7.389 317 2HB SER 43 2HB SER 43 0.373 4.610 6.940 318 HG SER 43 HG SER 43 0.827 5.887 8.820 319 H ALA 44 H ALA 44 1.075 1.379 7.653 320 HA ALA 44 HA ALA 44 -0.594 0.357 5.742 321 1HB ALA 44 1HB ALA 44 1.033 -1.126 7.832 322 2HB ALA 44 2HB ALA 44 0.389 -1.796 6.328 323 3HB ALA 44 3HB ALA 44 1.615 -0.478 6.297 324 H HIS 45 H HIS 45 -0.606 -0.772 9.159 325 HA HIS 45 HA HIS 45 -3.160 -2.100 8.724 326 1HB HIS 45 1HB HIS 45 -1.145 -2.103 10.973 327 2HB HIS 45 2HB HIS 45 -2.768 -2.725 11.190 328 HD1 HIS 45 HND HIS 45 -3.551 -4.811 9.842 329 HD2 HIS 45 HD HIS 45 0.457 -3.677 9.197 330 HE1 HIS 45 HE HIS 45 -2.455 -6.695 8.576 331 H LYS 46 H LYS 46 -2.416 1.094 9.493 332 HA LYS 46 HA LYS 46 -4.659 1.546 11.334 333 1HB LYS 46 1HB LYS 46 -3.035 3.166 11.604 334 2HB LYS 46 2HB LYS 46 -2.682 3.287 9.893 335 1HG LYS 46 1HG LYS 46 -3.695 5.312 10.823 336 2HG LYS 46 2HG LYS 46 -4.483 4.676 9.401 337 1HD LYS 46 1HD LYS 46 -6.162 5.420 10.858 338 2HD LYS 46 2HD LYS 46 -6.266 3.666 10.826 339 1HE LYS 46 1HE LYS 46 -5.048 3.537 13.006 340 2HE LYS 46 2HE LYS 46 -4.846 5.296 13.005 341 1HZ LYS 46 1HZ LYS 46 -7.231 5.516 13.129 342 2HZ LYS 46 2HZ LYS 46 -7.425 3.881 13.142 343 3HZ LYS 46 3HZ LYS 46 -6.663 4.630 14.391 344 H ASP 47 H ASP 47 -4.076 2.863 8.055 345 HA ASP 47 HA ASP 47 -6.445 1.773 6.926 346 1HB ASP 47 1HB ASP 47 -7.376 3.453 8.733 347 2HB ASP 47 2HB ASP 47 -6.798 4.717 7.648 348 H ALA 48 H ALA 48 -3.858 1.962 6.182 349 HA ALA 48 HA ALA 48 -3.806 3.900 3.895 350 1HB ALA 48 1HB ALA 48 -1.767 3.857 5.162 351 2HB ALA 48 2HB ALA 48 -1.630 2.108 5.041 352 3HB ALA 48 3HB ALA 48 -1.467 3.108 3.584 353 H CYS 49 H CYS 49 -2.626 0.545 4.030 354 HA CYS 49 HA CYS 49 -3.368 0.120 1.290 355 1HB CYS 49 1HB CYS 49 -2.539 -1.979 3.264 356 2HB CYS 49 2HB CYS 49 -2.274 -1.984 1.532 357 H LYS 50 H LYS 50 -4.439 -1.346 4.319 358 HA LYS 50 HA LYS 50 -6.630 -2.885 3.196 359 1HB LYS 50 1HB LYS 50 -7.166 -3.217 5.665 360 2HB LYS 50 2HB LYS 50 -5.584 -3.766 5.140 361 1HG LYS 50 1HG LYS 50 -4.435 -2.226 6.315 362 2HG LYS 50 2HG LYS 50 -5.599 -0.921 6.067 363 1HD LYS 50 1HD LYS 50 -6.054 -3.220 8.012 364 2HD LYS 50 2HD LYS 50 -5.302 -1.662 8.378 365 1HE LYS 50 1HE LYS 50 -7.469 -0.592 7.342 366 2HE LYS 50 2HE LYS 50 -8.186 -2.176 7.675 367 1HZ LYS 50 1HZ LYS 50 -8.474 -0.669 9.500 368 2HZ LYS 50 2HZ LYS 50 -7.389 -1.814 10.009 369 3HZ LYS 50 3HZ LYS 50 -6.887 -0.311 9.560 370 H THR 51 H THR 51 -6.951 -0.339 2.293 371 HA THR 51 HA THR 51 -9.477 0.566 3.576 372 HB THR 51 HB THR 51 -7.259 2.396 2.559 373 HG1 THR 51 HG1 THR 51 -8.009 1.933 5.222 374 1HG2 THR 51 1HG2 THR 51 -9.799 2.935 4.173 375 2HG2 THR 51 2HG2 THR 51 -8.531 4.112 3.798 376 3HG2 THR 51 3HG2 THR 51 -9.514 3.427 2.488 377 H CYS 52 H CYS 52 -7.471 1.487 0.762 378 HA CYS 52 HA CYS 52 -9.404 1.481 -1.249 379 1HB CYS 52 1HB CYS 52 -6.462 0.781 -1.043 380 2HB CYS 52 2HB CYS 52 -7.331 0.528 -2.549 381 H HIS 53 H HIS 53 -7.297 -1.224 -0.132 382 HA HIS 53 HA HIS 53 -8.316 -3.032 -2.030 383 1HB HIS 53 1HB HIS 53 -7.052 -3.630 0.643 384 2HB HIS 53 2HB HIS 53 -7.312 -4.775 -0.677 385 HD1 HIS 53 HND HIS 53 -4.569 -4.868 0.085 386 HD2 HIS 53 HD HIS 53 -5.896 -1.881 -2.592 387 HE1 HIS 53 HE HIS 53 -2.564 -4.016 -1.174 388 H LYS 54 H LYS 54 -9.838 -1.924 0.983 389 HA LYS 54 HA LYS 54 -11.596 -4.195 1.335 390 1HB LYS 54 1HB LYS 54 -12.148 -1.291 2.036 391 2HB LYS 54 2HB LYS 54 -12.949 -2.735 2.649 392 1HG LYS 54 1HG LYS 54 -10.720 -3.488 3.589 393 2HG LYS 54 2HG LYS 54 -10.067 -1.895 3.183 394 1HD LYS 54 1HD LYS 54 -12.517 -2.375 4.917 395 2HD LYS 54 2HD LYS 54 -10.869 -2.204 5.548 396 1HE LYS 54 1HE LYS 54 -10.760 0.052 5.229 397 2HE LYS 54 2HE LYS 54 -11.793 0.044 3.785 398 1HZ LYS 54 1HZ LYS 54 -12.803 1.128 5.628 399 2HZ LYS 54 2HZ LYS 54 -13.683 -0.197 5.207 400 3HZ LYS 54 3HZ LYS 54 -12.729 -0.225 6.556 401 H SER 55 H SER 55 -11.671 -1.130 -0.497 402 HA SER 55 HA SER 55 -14.409 -1.321 -1.369 403 1HB SER 55 1HB SER 55 -12.968 0.772 -1.334 404 2HB SER 55 2HB SER 55 -12.106 0.133 -2.750 405 HG SER 55 HG SER 55 -13.834 1.498 -3.357 406 H ASN 56 H ASN 56 -11.257 -2.184 -2.768 407 HA ASN 56 HA ASN 56 -12.240 -3.377 -5.186 408 1HB ASN 56 1HB ASN 56 -9.691 -3.891 -3.601 409 2HB ASN 56 2HB ASN 56 -10.054 -4.602 -5.172 410 1HD2 ASN 56 1HD2 ASN 56 -9.425 -1.408 -3.540 411 2HD2 ASN 56 2HD2 ASN 56 -9.041 -0.630 -5.061 412 H ASN 57 H ASN 57 -11.630 -4.729 -1.951 413 HA ASN 57 HA ASN 57 -12.566 -6.371 -0.813 414 1HB ASN 57 1HB ASN 57 -14.717 -5.549 -1.753 415 2HB ASN 57 2HB ASN 57 -14.583 -6.719 -3.071 416 1HD2 ASN 57 1HD2 ASN 57 -14.422 -6.573 0.540 417 2HD2 ASN 57 2HD2 ASN 57 -15.237 -8.116 0.772 418 H GLY 58 H GLY 58 -10.686 -7.605 -0.926 419 1HA GLY 58 1HA GLY 58 -10.946 -10.118 -2.521 420 2HA GLY 58 2HA GLY 58 -9.446 -9.202 -2.579 421 HA PRO 59 HA PRO 59 -8.153 -11.561 0.818 422 1HB PRO 59 1HB PRO 59 -6.432 -9.958 2.272 423 2HB PRO 59 2HB PRO 59 -6.081 -10.508 0.608 424 1HG PRO 59 1HG PRO 59 -7.323 -7.868 1.441 425 2HG PRO 59 2HG PRO 59 -5.925 -8.119 0.349 426 1HD PRO 59 1HD PRO 59 -8.421 -7.753 -0.643 427 2HD PRO 59 2HD PRO 59 -7.331 -8.964 -1.381 428 H THR 60 H THR 60 -8.155 -11.982 3.049 429 HA THR 60 HA THR 60 -10.789 -10.992 4.021 430 HB THR 60 HB THR 60 -10.231 -13.185 2.508 431 HG1 THR 60 HG1 THR 60 -12.177 -12.376 2.838 432 1HG2 THR 60 1HG2 THR 60 -8.975 -14.387 4.250 433 2HG2 THR 60 2HG2 THR 60 -10.394 -14.299 5.333 434 3HG2 THR 60 3HG2 THR 60 -10.485 -15.198 3.811 435 H LYS 61 H LYS 61 -7.714 -12.418 5.057 436 HA LYS 61 HA LYS 61 -8.220 -11.244 7.704 437 1HB LYS 61 1HB LYS 61 -7.293 -13.149 8.930 438 2HB LYS 61 2HB LYS 61 -8.848 -13.473 8.169 439 1HG LYS 61 1HG LYS 61 -7.495 -14.640 6.279 440 2HG LYS 61 2HG LYS 61 -6.137 -14.610 7.441 441 1HD LYS 61 1HD LYS 61 -7.506 -15.791 9.098 442 2HD LYS 61 2HD LYS 61 -8.860 -15.848 7.946 443 1HE LYS 61 1HE LYS 61 -7.431 -17.129 6.338 444 2HE LYS 61 2HE LYS 61 -6.092 -17.088 7.496 445 1HZ LYS 61 1HZ LYS 61 -7.445 -18.369 9.012 446 2HZ LYS 61 2HZ LYS 61 -8.693 -18.402 7.936 447 3HZ LYS 61 3HZ LYS 61 -7.278 -19.153 7.579 448 H CYS 62 H CYS 62 -5.731 -13.236 6.147 449 HA CYS 62 HA CYS 62 -4.050 -10.891 5.730 450 1HB CYS 62 1HB CYS 62 -2.851 -13.601 6.316 451 2HB CYS 62 2HB CYS 62 -2.045 -12.025 6.300 452 H GLY 63 H GLY 63 -2.193 -12.379 4.158 453 1HA GLY 63 1HA GLY 63 -1.959 -13.533 2.167 454 2HA GLY 63 2HA GLY 63 -3.625 -14.114 2.311 455 H GLY 64 H GLY 64 -2.080 -10.937 2.104 456 1HA GLY 64 1HA GLY 64 -3.481 -10.273 -0.453 457 2HA GLY 64 2HA GLY 64 -3.570 -9.167 0.933 458 H CYS 65 H CYS 65 -1.219 -9.063 2.024 459 HA CYS 65 HA CYS 65 0.468 -7.837 -0.087 460 1HB CYS 65 1HB CYS 65 0.192 -7.127 2.806 461 2HB CYS 65 2HB CYS 65 0.814 -6.100 1.506 462 H HIS 66 H HIS 66 0.668 -9.596 3.040 463 HA HIS 66 HA HIS 66 3.564 -9.831 2.920 464 1HB HIS 66 1HB HIS 66 1.501 -11.299 4.608 465 2HB HIS 66 2HB HIS 66 3.239 -11.395 4.808 466 HD1 HIS 66 HND HIS 66 4.343 -8.666 5.048 467 HD2 HIS 66 HD HIS 66 0.384 -9.466 6.168 468 HE1 HIS 66 HE HIS 66 3.611 -6.794 6.608 469 H ILE 67 H ILE 67 4.434 -11.024 1.286 470 HA ILE 67 HA ILE 67 3.191 -13.476 0.298 471 HB ILE 67 HB ILE 67 5.978 -12.352 -0.173 472 1HG1 ILE 67 1HG1 ILE 67 4.430 -10.628 -0.839 473 2HG1 ILE 67 2HG1 ILE 67 5.095 -11.408 -2.265 474 1HG2 ILE 67 1HG2 ILE 67 4.302 -14.396 -1.707 475 2HG2 ILE 67 2HG2 ILE 67 5.809 -13.673 -2.304 476 3HG2 ILE 67 3HG2 ILE 67 5.828 -14.690 -0.866 477 1HD1 ILE 67 1HD1 ILE 67 2.723 -10.971 -2.567 478 2HD1 ILE 67 2HD1 ILE 67 2.975 -12.722 -2.519 479 3HD1 ILE 67 3HD1 ILE 67 2.309 -11.871 -1.104 480 H LYS 68 H LYS 68 2.972 -14.426 2.560 481 HA LYS 68 HA LYS 68 5.090 -16.371 2.745 482 1HB LYS 68 1HB LYS 68 5.871 -14.462 4.215 483 2HB LYS 68 2HB LYS 68 4.475 -14.734 5.263 484 1HG LYS 68 1HG LYS 68 6.433 -16.948 4.526 485 2HG LYS 68 2HG LYS 68 6.824 -15.784 5.785 486 1HD LYS 68 1HD LYS 68 5.502 -16.692 7.324 487 2HD LYS 68 2HD LYS 68 4.141 -16.929 6.236 488 1HE LYS 68 1HE LYS 68 6.612 -18.715 6.090 489 2HE LYS 68 2HE LYS 68 5.329 -19.038 7.261 490 1HZ LYS 68 1HZ LYS 68 3.789 -19.387 5.573 491 2HZ LYS 68 2HZ LYS 68 4.629 -18.694 4.435 492 3HZ LYS 68 3HZ LYS 68 5.127 -20.175 5.006 493 HHA HEC 69 HCM HEC 69 8.709 6.932 -2.057 494 HHB HEC 69 HDM HEC 69 6.670 10.755 -6.685 495 HHC HEC 69 HAM HEC 69 1.467 7.021 -7.154 496 HHD HEC 69 HBM HEC 69 2.838 4.610 -1.362 497 1HMA HEC 69 HM81 HEC 69 9.961 11.188 -4.898 498 2HMA HEC 69 HM82 HEC 69 9.478 10.557 -6.486 499 3HMA HEC 69 HM83 HEC 69 8.474 11.766 -5.643 500 1HAA HEC 69 HP71 HEC 69 10.919 9.383 -4.012 501 2HAA HEC 69 HP72 HEC 69 10.480 8.347 -2.661 502 1HBA HEC 69 HP73 HEC 69 10.243 6.430 -4.142 503 2HBA HEC 69 HP74 HEC 69 10.392 7.460 -5.569 504 1HMB HEC 69 HM11 HEC 69 4.860 10.385 -9.743 505 2HMB HEC 69 HM12 HEC 69 4.084 11.641 -8.744 506 3HMB HEC 69 HM13 HEC 69 5.790 11.246 -8.534 507 HAB HEC 69 HT2A HEC 69 1.310 8.566 -8.632 508 1HBB HEC 69 HT21 HEC 69 1.281 9.733 -10.638 509 2HBB HEC 69 HT22 HEC 69 2.620 10.775 -10.207 510 3HBB HEC 69 HT23 HEC 69 2.905 9.051 -10.569 511 1HMC HEC 69 HM31 HEC 69 -0.851 4.760 -5.259 512 2HMC HEC 69 HM32 HEC 69 -0.518 6.337 -5.977 513 3HMC HEC 69 HM33 HEC 69 0.168 4.867 -6.699 514 HAC HEC 69 HT4A HEC 69 0.806 4.266 -1.751 515 1HBC HEC 69 HT41 HEC 69 1.053 2.331 -3.342 516 2HBC HEC 69 HT42 HEC 69 -0.472 2.380 -2.436 517 3HBC HEC 69 HT43 HEC 69 -0.442 2.875 -4.126 518 1HMD HEC 69 HM51 HEC 69 5.587 4.365 1.263 519 2HMD HEC 69 HM52 HEC 69 3.945 4.374 0.601 520 3HMD HEC 69 HM53 HEC 69 5.163 3.248 -0.050 521 1HAD HEC 69 HP61 HEC 69 7.760 4.509 0.526 522 2HAD HEC 69 HP62 HEC 69 8.667 4.869 -0.910 523 1HBD HEC 69 HP63 HEC 69 9.044 7.173 -0.070 524 2HBD HEC 69 HP64 HEC 69 8.103 6.763 1.353 525 HHA HEC 70 HCM HEC 70 -3.319 -5.218 -6.322 526 HHB HEC 70 HDM HEC 70 0.668 -4.167 -1.387 527 HHC HEC 70 HAM HEC 70 -2.209 1.438 -0.371 528 HHD HEC 70 HBM HEC 70 -6.054 0.451 -5.321 529 1HMA HEC 70 HM81 HEC 70 1.569 -6.198 -3.410 530 2HMA HEC 70 HM82 HEC 70 0.620 -6.403 -1.921 531 3HMA HEC 70 HM83 HEC 70 0.322 -7.467 -3.291 532 1HAA HEC 70 HP71 HEC 70 -1.545 -6.639 -6.502 533 2HAA HEC 70 HP72 HEC 70 -0.346 -7.396 -5.478 534 1HBA HEC 70 HP73 HEC 70 -2.164 -8.211 -3.970 535 2HBA HEC 70 HP74 HEC 70 -3.354 -7.507 -5.073 536 1HMB HEC 70 HM11 HEC 70 1.425 -1.864 1.476 537 2HMB HEC 70 HM12 HEC 70 0.633 -3.403 1.104 538 3HMB HEC 70 HM13 HEC 70 1.980 -2.821 0.098 539 HAB HEC 70 HT2A HEC 70 -1.083 1.073 1.246 540 1HBB HEC 70 HT21 HEC 70 1.756 0.330 1.698 541 2HBB HEC 70 HT22 HEC 70 1.307 1.232 0.237 542 3HBB HEC 70 HT23 HEC 70 0.913 1.892 1.823 543 1HMC HEC 70 HM31 HEC 70 -4.592 4.033 -1.764 544 2HMC HEC 70 HM32 HEC 70 -4.469 2.970 -0.348 545 3HMC HEC 70 HM33 HEC 70 -3.004 3.521 -1.197 546 HAC HEC 70 HT4A HEC 70 -6.929 1.958 -4.165 547 1HBC HEC 70 HT41 HEC 70 -5.183 4.366 -4.012 548 2HBC HEC 70 HT42 HEC 70 -6.037 3.604 -5.400 549 3HBC HEC 70 HT43 HEC 70 -6.946 4.491 -4.185 550 1HMD HEC 70 HM51 HEC 70 -6.258 -1.128 -8.366 551 2HMD HEC 70 HM52 HEC 70 -7.507 -1.961 -7.443 552 3HMD HEC 70 HM53 HEC 70 -7.012 -0.324 -6.984 553 1HAD HEC 70 HP61 HEC 70 -5.592 -5.137 -7.153 554 2HAD HEC 70 HP62 HEC 70 -6.440 -3.937 -8.114 555 1HBD HEC 70 HP63 HEC 70 -3.491 -4.159 -8.598 556 2HBD HEC 70 HP64 HEC 70 -4.489 -5.540 -9.059 557 HHA HEC 71 HCM HEC 71 4.267 -4.369 8.947 558 HHB HEC 71 HDM HEC 71 0.919 -9.204 11.449 559 HHC HEC 71 HAM HEC 71 -2.926 -9.180 6.345 560 HHD HEC 71 HBM HEC 71 0.271 -4.218 3.984 561 1HMA HEC 71 HM81 HEC 71 3.062 -9.083 12.474 562 2HMA HEC 71 HM82 HEC 71 4.009 -7.699 13.032 563 3HMA HEC 71 HM83 HEC 71 2.253 -7.718 13.272 564 1HAA HEC 71 HP71 HEC 71 5.402 -5.113 10.691 565 2HAA HEC 71 HP72 HEC 71 5.039 -5.851 12.237 566 1HBA HEC 71 HP73 HEC 71 5.579 -8.085 11.214 567 2HBA HEC 71 HP74 HEC 71 6.112 -7.226 9.753 568 1HMB HEC 71 HM11 HEC 71 0.021 -11.373 11.101 569 2HMB HEC 71 HM12 HEC 71 -1.399 -10.593 11.845 570 3HMB HEC 71 HM13 HEC 71 -1.598 -11.918 10.673 571 HAB HEC 71 HT2A HEC 71 -3.853 -10.268 7.907 572 1HBB HEC 71 HT21 HEC 71 -4.238 -9.419 10.149 573 2HBB HEC 71 HT22 HEC 71 -5.134 -10.897 9.773 574 3HBB HEC 71 HT23 HEC 71 -3.714 -10.978 10.826 575 1HMC HEC 71 HM31 HEC 71 -3.281 -9.037 4.105 576 2HMC HEC 71 HM32 HEC 71 -4.388 -7.711 4.519 577 3HMC HEC 71 HM33 HEC 71 -3.521 -7.723 2.963 578 HAC HEC 71 HT4A HEC 71 -1.435 -4.396 2.863 579 1HBC HEC 71 HT41 HEC 71 -4.181 -5.629 2.736 580 2HBC HEC 71 HT42 HEC 71 -3.709 -4.274 3.775 581 3HBC HEC 71 HT43 HEC 71 -3.587 -4.121 2.018 582 1HMD HEC 71 HM51 HEC 71 2.130 -3.127 3.435 583 2HMD HEC 71 HM52 HEC 71 1.544 -1.804 4.418 584 3HMD HEC 71 HM53 HEC 71 3.278 -2.067 4.237 585 1HAD HEC 71 HP61 HEC 71 4.367 -1.772 6.029 586 2HAD HEC 71 HP62 HEC 71 4.077 -2.011 7.714 587 1HBD HEC 71 HP63 HEC 71 5.685 -4.196 6.742 588 2HBD HEC 71 HP64 HEC 71 6.387 -2.657 6.235 Start of MODEL 7 1 1H ALA 1 1H ALA 1 6.236 5.011 -7.742 2 2H ALA 1 2H ALA 1 6.327 6.622 -7.886 3 3H ALA 1 3H ALA 1 5.514 5.735 -9.015 4 HA ALA 1 HA ALA 1 7.563 6.298 -10.002 5 1HB ALA 1 1HB ALA 1 8.865 5.071 -7.531 6 2HB ALA 1 2HB ALA 1 9.698 5.608 -8.999 7 3HB ALA 1 3HB ALA 1 8.839 6.782 -7.989 8 H ASP 2 H ASP 2 8.240 3.281 -8.227 9 HA ASP 2 HA ASP 2 7.253 1.358 -10.100 10 1HB ASP 2 1HB ASP 2 9.497 0.552 -10.643 11 2HB ASP 2 2HB ASP 2 9.383 2.233 -11.180 12 H VAL 3 H VAL 3 7.811 -0.784 -9.270 13 HA VAL 3 HA VAL 3 6.631 -0.934 -6.790 14 HB VAL 3 HB VAL 3 6.422 -2.695 -8.362 15 1HG1 VAL 3 1HG1 VAL 3 8.197 -4.292 -8.918 16 2HG1 VAL 3 2HG1 VAL 3 8.635 -2.671 -9.460 17 3HG1 VAL 3 3HG1 VAL 3 9.377 -3.346 -7.995 18 1HG2 VAL 3 1HG2 VAL 3 6.257 -3.315 -5.927 19 2HG2 VAL 3 2HG2 VAL 3 6.691 -4.657 -6.992 20 3HG2 VAL 3 3HG2 VAL 3 7.933 -3.878 -5.995 21 H VAL 4 H VAL 4 7.211 -1.184 -4.676 22 HA VAL 4 HA VAL 4 10.117 -1.180 -3.959 23 HB VAL 4 HB VAL 4 7.867 0.573 -2.949 24 1HG1 VAL 4 1HG1 VAL 4 9.018 -0.249 -0.925 25 2HG1 VAL 4 2HG1 VAL 4 10.596 0.111 -1.651 26 3HG1 VAL 4 3HG1 VAL 4 9.477 1.421 -1.231 27 1HG2 VAL 4 1HG2 VAL 4 10.672 1.204 -3.947 28 2HG2 VAL 4 2HG2 VAL 4 9.173 1.431 -4.864 29 3HG2 VAL 4 3HG2 VAL 4 9.462 2.388 -3.405 30 H THR 5 H THR 5 10.424 -2.058 -1.760 31 HA THR 5 HA THR 5 7.980 -2.922 -0.559 32 HB THR 5 HB THR 5 8.863 -5.086 -1.437 33 HG1 THR 5 HG1 THR 5 7.842 -4.787 0.591 34 1HG2 THR 5 1HG2 THR 5 11.299 -4.560 -1.473 35 2HG2 THR 5 2HG2 THR 5 11.324 -4.576 0.304 36 3HG2 THR 5 3HG2 THR 5 10.949 -6.056 -0.592 37 H TYR 6 H TYR 6 7.934 -2.875 1.573 38 HA TYR 6 HA TYR 6 9.783 -1.156 2.994 39 1HB TYR 6 1HB TYR 6 7.540 -2.959 3.953 40 2HB TYR 6 2HB TYR 6 8.325 -1.730 4.918 41 HD1 TYR 6 HD1 TYR 6 5.322 -2.290 3.556 42 HD2 TYR 6 HD2 TYR 6 8.439 0.660 3.198 43 HE1 TYR 6 HE1 TYR 6 3.741 -0.749 2.443 44 HE2 TYR 6 HE2 TYR 6 6.884 2.134 1.994 45 HH TYR 6 HH TYR 6 4.311 1.120 0.556 46 H GLU 7 H GLU 7 9.470 -4.582 2.331 47 HA GLU 7 HA GLU 7 10.371 -6.444 3.134 48 1HB GLU 7 1HB GLU 7 12.567 -5.128 2.997 49 2HB GLU 7 2HB GLU 7 12.433 -5.000 4.763 50 1HG GLU 7 1HG GLU 7 12.239 -7.605 4.723 51 2HG GLU 7 2HG GLU 7 12.768 -7.469 3.031 52 H ASN 8 H ASN 8 10.365 -7.759 5.155 53 HA ASN 8 HA ASN 8 9.692 -6.609 7.725 54 1HB ASN 8 1HB ASN 8 7.640 -8.334 6.279 55 2HB ASN 8 2HB ASN 8 7.567 -7.886 7.971 56 1HD2 ASN 8 1HD2 ASN 8 6.594 -7.014 4.840 57 2HD2 ASN 8 2HD2 ASN 8 6.042 -5.376 5.248 58 H LYS 9 H LYS 9 9.519 -8.334 9.306 59 HA LYS 9 HA LYS 9 11.094 -10.740 8.595 60 1HB LYS 9 1HB LYS 9 9.854 -9.594 11.112 61 2HB LYS 9 2HB LYS 9 10.330 -11.283 11.047 62 1HG LYS 9 1HG LYS 9 12.196 -8.950 10.442 63 2HG LYS 9 2HG LYS 9 12.076 -9.774 11.995 64 1HD LYS 9 1HD LYS 9 13.587 -11.284 11.321 65 2HD LYS 9 2HD LYS 9 12.425 -11.884 10.140 66 1HE LYS 9 1HE LYS 9 13.290 -10.046 8.535 67 2HE LYS 9 2HE LYS 9 14.547 -9.715 9.733 68 1HZ LYS 9 1HZ LYS 9 15.310 -11.175 8.028 69 2HZ LYS 9 2HZ LYS 9 15.295 -11.995 9.456 70 3HZ LYS 9 3HZ LYS 9 14.123 -12.268 8.328 71 H LYS 10 H LYS 10 7.748 -9.748 8.734 72 HA LYS 10 HA LYS 10 6.687 -12.446 8.884 73 1HB LYS 10 1HB LYS 10 5.101 -10.213 7.613 74 2HB LYS 10 2HB LYS 10 4.558 -11.559 8.591 75 1HG LYS 10 1HG LYS 10 5.976 -9.024 9.397 76 2HG LYS 10 2HG LYS 10 4.328 -9.434 9.767 77 1HD LYS 10 1HD LYS 10 6.856 -10.775 10.911 78 2HD LYS 10 2HD LYS 10 5.794 -9.673 11.758 79 1HE LYS 10 1HE LYS 10 3.917 -11.315 11.546 80 2HE LYS 10 2HE LYS 10 5.012 -12.445 10.732 81 1HZ LYS 10 1HZ LYS 10 6.366 -12.485 12.702 82 2HZ LYS 10 2HZ LYS 10 5.362 -11.440 13.477 83 3HZ LYS 10 3HZ LYS 10 4.827 -12.938 13.057 84 H GLY 11 H GLY 11 6.653 -10.081 6.212 85 1HA GLY 11 1HA GLY 11 7.819 -11.766 4.241 86 2HA GLY 11 2HA GLY 11 6.054 -11.716 4.042 87 H ASN 12 H ASN 12 8.356 -10.471 2.488 88 HA ASN 12 HA ASN 12 8.576 -7.660 2.974 89 1HB ASN 12 1HB ASN 12 8.968 -9.262 0.437 90 2HB ASN 12 2HB ASN 12 9.451 -7.590 0.652 91 1HD2 ASN 12 1HD2 ASN 12 10.020 -9.300 3.613 92 2HD2 ASN 12 2HD2 ASN 12 11.736 -9.490 3.332 93 H VAL 13 H VAL 13 7.035 -6.171 2.685 94 HA VAL 13 HA VAL 13 4.481 -6.777 1.380 95 HB VAL 13 HB VAL 13 5.689 -4.381 2.758 96 1HG1 VAL 13 1HG1 VAL 13 3.597 -3.172 2.450 97 2HG1 VAL 13 2HG1 VAL 13 4.275 -3.444 0.888 98 3HG1 VAL 13 3HG1 VAL 13 2.938 -4.471 1.421 99 1HG2 VAL 13 1HG2 VAL 13 3.068 -5.814 3.353 100 2HG2 VAL 13 2HG2 VAL 13 4.591 -6.495 3.897 101 3HG2 VAL 13 3HG2 VAL 13 4.116 -4.875 4.441 102 H THR 14 H THR 14 4.905 -7.215 -0.755 103 HA THR 14 HA THR 14 6.633 -5.403 -2.314 104 HB THR 14 HB THR 14 5.045 -7.843 -3.187 105 HG1 THR 14 HG1 THR 14 6.617 -8.166 -1.428 106 1HG2 THR 14 1HG2 THR 14 5.857 -6.442 -5.070 107 2HG2 THR 14 2HG2 THR 14 7.491 -6.438 -4.367 108 3HG2 THR 14 3HG2 THR 14 6.778 -7.952 -4.960 109 H PHE 15 H PHE 15 5.213 -3.561 -1.744 110 HA PHE 15 HA PHE 15 2.552 -3.478 -2.988 111 1HB PHE 15 1HB PHE 15 2.312 -1.296 -2.180 112 2HB PHE 15 2HB PHE 15 2.995 -2.257 -0.883 113 HD1 PHE 15 HD1 PHE 15 3.384 0.679 -2.973 114 HD2 PHE 15 HD2 PHE 15 5.483 -2.006 -0.320 115 HE1 PHE 15 HE1 PHE 15 5.020 2.466 -2.437 116 HE2 PHE 15 HE2 PHE 15 7.099 -0.235 0.195 117 HZ PHE 15 HZ PHE 15 6.846 2.014 -0.796 118 H ASP 16 H ASP 16 2.394 -3.344 -5.175 119 HA ASP 16 HA ASP 16 4.486 -2.113 -6.765 120 1HB ASP 16 1HB ASP 16 2.745 -3.801 -7.597 121 2HB ASP 16 2HB ASP 16 1.656 -2.422 -7.749 122 H HIS 17 H HIS 17 3.935 -0.193 -8.049 123 HA HIS 17 HA HIS 17 3.117 2.030 -6.218 124 1HB HIS 17 1HB HIS 17 5.531 1.180 -5.899 125 2HB HIS 17 2HB HIS 17 5.807 1.606 -7.573 126 HD1 HIS 17 HND HIS 17 7.709 3.001 -5.874 127 HD2 HIS 17 HD HIS 17 3.741 4.303 -6.263 128 HE1 HIS 17 HE HIS 17 7.623 5.432 -4.975 129 H LYS 18 H LYS 18 4.767 1.167 -9.252 130 HA LYS 18 HA LYS 18 3.879 3.334 -10.886 131 1HB LYS 18 1HB LYS 18 5.825 2.122 -11.428 132 2HB LYS 18 2HB LYS 18 5.018 0.543 -11.389 133 1HG LYS 18 1HG LYS 18 3.835 1.002 -13.387 134 2HG LYS 18 2HG LYS 18 4.189 2.740 -13.295 135 1HD LYS 18 1HD LYS 18 6.663 2.186 -13.471 136 2HD LYS 18 2HD LYS 18 6.221 0.496 -13.713 137 1HE LYS 18 1HE LYS 18 5.689 2.872 -15.552 138 2HE LYS 18 2HE LYS 18 6.554 1.373 -15.933 139 1HZ LYS 18 1HZ LYS 18 4.265 0.281 -15.654 140 2HZ LYS 18 2HZ LYS 18 3.652 1.766 -15.551 141 3HZ LYS 18 3HZ LYS 18 4.381 1.327 -16.926 142 H ALA 19 H ALA 19 2.886 -0.119 -10.556 143 HA ALA 19 HA ALA 19 0.715 -0.081 -12.370 144 1HB ALA 19 1HB ALA 19 1.585 -2.111 -11.212 145 2HB ALA 19 2HB ALA 19 0.909 -1.451 -9.689 146 3HB ALA 19 3HB ALA 19 -0.180 -1.926 -11.011 147 H HIS 20 H HIS 20 0.757 0.557 -8.836 148 HA HIS 20 HA HIS 20 -2.015 1.215 -8.554 149 1HB HIS 20 1HB HIS 20 0.485 1.860 -6.952 150 2HB HIS 20 2HB HIS 20 -1.067 2.572 -6.553 151 HD1 HIS 20 HND HIS 20 0.275 -1.046 -7.021 152 HD2 HIS 20 HD HIS 20 -2.525 1.218 -4.871 153 HE1 HIS 20 HE HIS 20 -0.872 -2.638 -5.419 154 H ALA 21 H ALA 21 0.863 3.061 -9.474 155 HA ALA 21 HA ALA 21 -0.390 5.656 -9.393 156 1HB ALA 21 1HB ALA 21 2.069 5.347 -9.449 157 2HB ALA 21 2HB ALA 21 1.967 4.826 -11.132 158 3HB ALA 21 3HB ALA 21 1.473 6.460 -10.701 159 H GLU 22 H GLU 22 0.152 3.478 -12.165 160 HA GLU 22 HA GLU 22 -1.225 5.316 -13.951 161 1HB GLU 22 1HB GLU 22 -0.759 3.704 -15.728 162 2HB GLU 22 2HB GLU 22 0.624 4.238 -14.780 163 1HG GLU 22 1HG GLU 22 0.082 1.896 -13.480 164 2HG GLU 22 2HG GLU 22 -0.582 1.503 -15.056 165 H LYS 23 H LYS 23 -2.117 2.210 -12.418 166 HA LYS 23 HA LYS 23 -4.701 1.955 -13.514 167 1HB LYS 23 1HB LYS 23 -3.595 1.284 -10.751 168 2HB LYS 23 2HB LYS 23 -5.111 0.670 -11.390 169 1HG LYS 23 1HG LYS 23 -2.548 0.247 -12.993 170 2HG LYS 23 2HG LYS 23 -2.832 -0.742 -11.563 171 1HD LYS 23 1HD LYS 23 -4.921 -0.372 -13.700 172 2HD LYS 23 2HD LYS 23 -3.604 -1.549 -13.892 173 1HE LYS 23 1HE LYS 23 -4.220 -2.612 -11.690 174 2HE LYS 23 2HE LYS 23 -5.586 -1.515 -11.535 175 1HZ LYS 23 1HZ LYS 23 -6.215 -3.598 -12.249 176 2HZ LYS 23 2HZ LYS 23 -6.560 -2.545 -13.463 177 3HZ LYS 23 3HZ LYS 23 -5.266 -3.591 -13.589 178 H LEU 24 H LEU 24 -3.596 3.654 -10.535 179 HA LEU 24 HA LEU 24 -6.360 4.552 -10.026 180 1HB LEU 24 1HB LEU 24 -3.915 5.014 -8.305 181 2HB LEU 24 2HB LEU 24 -5.604 5.144 -7.857 182 HG LEU 24 HG LEU 24 -4.357 2.483 -8.728 183 1HD1 LEU 24 1HD1 LEU 24 -4.652 3.638 -5.946 184 2HD1 LEU 24 2HD1 LEU 24 -4.237 1.955 -6.336 185 3HD1 LEU 24 3HD1 LEU 24 -3.158 3.286 -6.791 186 1HD2 LEU 24 1HD2 LEU 24 -6.987 3.275 -7.441 187 2HD2 LEU 24 2HD2 LEU 24 -6.718 2.400 -8.961 188 3HD2 LEU 24 3HD2 LEU 24 -6.329 1.628 -7.413 189 H GLY 25 H GLY 25 -3.076 6.142 -10.281 190 1HA GLY 25 1HA GLY 25 -3.458 8.181 -11.816 191 2HA GLY 25 2HA GLY 25 -4.341 8.812 -10.411 192 H CYS 26 H CYS 26 -3.231 8.923 -8.405 193 HA CYS 26 HA CYS 26 -0.512 8.551 -7.800 194 1HB CYS 26 1HB CYS 26 -0.436 10.465 -9.783 195 2HB CYS 26 2HB CYS 26 -0.771 11.483 -8.411 196 H ASP 27 H ASP 27 -3.084 10.758 -7.802 197 HA ASP 27 HA ASP 27 -3.362 12.175 -5.441 198 1HB ASP 27 1HB ASP 27 -5.770 11.925 -6.028 199 2HB ASP 27 2HB ASP 27 -4.796 12.367 -7.432 200 H ALA 28 H ALA 28 -4.184 8.896 -6.282 201 HA ALA 28 HA ALA 28 -5.504 7.745 -4.259 202 1HB ALA 28 1HB ALA 28 -3.027 6.720 -5.704 203 2HB ALA 28 2HB ALA 28 -4.087 5.679 -4.736 204 3HB ALA 28 3HB ALA 28 -4.721 6.509 -6.181 205 H CYS 29 H CYS 29 -2.071 8.564 -4.159 206 HA CYS 29 HA CYS 29 -1.966 7.953 -1.215 207 1HB CYS 29 1HB CYS 29 0.219 7.453 -3.229 208 2HB CYS 29 2HB CYS 29 0.198 6.983 -1.516 209 H HIS 30 H HIS 30 -0.599 9.847 -3.962 210 HA HIS 30 HA HIS 30 0.987 11.447 -2.013 211 1HB HIS 30 1HB HIS 30 1.024 11.218 -5.036 212 2HB HIS 30 2HB HIS 30 2.006 12.351 -4.119 213 HD1 HIS 30 HND HIS 30 3.496 10.982 -2.049 214 HD2 HIS 30 HD HIS 30 2.337 9.027 -5.553 215 HE1 HIS 30 HE HIS 30 5.128 8.973 -2.395 216 H GLU 31 H GLU 31 -1.264 12.155 -1.283 217 HA GLU 31 HA GLU 31 -2.657 14.146 -2.819 218 1HB GLU 31 1HB GLU 31 -2.468 14.108 0.256 219 2HB GLU 31 2HB GLU 31 -3.692 14.836 -0.789 220 1HG GLU 31 1HG GLU 31 -3.949 12.405 -1.684 221 2HG GLU 31 2HG GLU 31 -3.195 11.917 -0.163 222 H GLY 32 H GLY 32 -0.486 14.481 -0.129 223 1HA GLY 32 1HA GLY 32 -0.148 17.320 -0.278 224 2HA GLY 32 2HA GLY 32 0.875 16.222 0.662 225 H THR 33 H THR 33 2.475 14.891 -0.727 226 HA THR 33 HA THR 33 3.362 15.848 -3.244 227 HB THR 33 HB THR 33 4.091 17.851 -2.057 228 HG1 THR 33 HG1 THR 33 5.612 17.331 -3.461 229 1HG2 THR 33 1HG2 THR 33 4.123 17.018 0.272 230 2HG2 THR 33 2HG2 THR 33 5.560 16.040 -0.095 231 3HG2 THR 33 3HG2 THR 33 5.642 17.806 -0.174 232 HA PRO 34 HA PRO 34 5.347 11.834 -2.419 233 1HB PRO 34 1HB PRO 34 6.781 11.436 -4.614 234 2HB PRO 34 2HB PRO 34 5.004 11.478 -4.696 235 1HG PRO 34 1HG PRO 34 6.905 13.743 -5.299 236 2HG PRO 34 2HG PRO 34 5.526 13.154 -6.286 237 1HD PRO 34 1HD PRO 34 5.303 15.302 -4.617 238 2HD PRO 34 2HD PRO 34 3.952 14.156 -4.860 239 H ALA 35 H ALA 35 6.415 13.842 -0.882 240 HA ALA 35 HA ALA 35 9.370 13.746 -1.233 241 1HB ALA 35 1HB ALA 35 8.309 15.825 -0.463 242 2HB ALA 35 2HB ALA 35 7.606 14.968 0.927 243 3HB ALA 35 3HB ALA 35 9.372 15.136 0.785 244 H LYS 36 H LYS 36 8.709 11.283 -1.321 245 HA LYS 36 HA LYS 36 8.514 9.203 -0.417 246 1HB LYS 36 1HB LYS 36 9.750 10.540 2.040 247 2HB LYS 36 2HB LYS 36 9.193 8.890 2.068 248 1HG LYS 36 1HG LYS 36 10.859 9.440 -0.309 249 2HG LYS 36 2HG LYS 36 11.711 9.781 1.187 250 1HD LYS 36 1HD LYS 36 10.138 7.217 0.747 251 2HD LYS 36 2HD LYS 36 11.839 7.354 0.313 252 1HE LYS 36 1HE LYS 36 12.579 7.620 2.475 253 2HE LYS 36 2HE LYS 36 11.043 8.191 3.119 254 1HZ LYS 36 1HZ LYS 36 11.268 5.399 2.191 255 2HZ LYS 36 2HZ LYS 36 11.585 5.848 3.768 256 3HZ LYS 36 3HZ LYS 36 10.124 6.069 3.014 257 H ILE 37 H ILE 37 7.340 8.030 1.545 258 HA ILE 37 HA ILE 37 5.296 9.812 2.731 259 HB ILE 37 HB ILE 37 4.370 7.044 2.007 260 1HG1 ILE 37 1HG1 ILE 37 4.219 9.465 0.194 261 2HG1 ILE 37 2HG1 ILE 37 4.946 7.876 -0.110 262 1HG2 ILE 37 1HG2 ILE 37 2.895 9.677 2.469 263 2HG2 ILE 37 2HG2 ILE 37 2.163 8.065 2.358 264 3HG2 ILE 37 3HG2 ILE 37 3.189 8.465 3.729 265 1HD1 ILE 37 1HD1 ILE 37 2.557 6.915 0.185 266 2HD1 ILE 37 2HD1 ILE 37 1.990 8.596 0.112 267 3HD1 ILE 37 3HD1 ILE 37 2.827 7.884 -1.266 268 H ALA 38 H ALA 38 6.762 6.633 2.794 269 HA ALA 38 HA ALA 38 7.261 5.173 4.449 270 1HB ALA 38 1HB ALA 38 8.597 7.005 5.385 271 2HB ALA 38 2HB ALA 38 7.216 7.521 6.382 272 3HB ALA 38 3HB ALA 38 7.934 5.920 6.629 273 H ILE 39 H ILE 39 5.089 4.582 3.676 274 HA ILE 39 HA ILE 39 2.946 4.682 5.712 275 HB ILE 39 HB ILE 39 3.239 3.224 3.067 276 1HG1 ILE 39 1HG1 ILE 39 2.779 5.570 2.807 277 2HG1 ILE 39 2HG1 ILE 39 1.375 4.590 2.395 278 1HG2 ILE 39 1HG2 ILE 39 2.000 1.694 4.354 279 2HG2 ILE 39 2HG2 ILE 39 1.091 2.970 5.194 280 3HG2 ILE 39 3HG2 ILE 39 0.778 2.619 3.484 281 1HD1 ILE 39 1HD1 ILE 39 1.700 6.296 4.887 282 2HD1 ILE 39 2HD1 ILE 39 0.572 6.518 3.548 283 3HD1 ILE 39 3HD1 ILE 39 0.365 5.142 4.639 284 H ASP 40 H ASP 40 3.399 3.684 7.425 285 HA ASP 40 HA ASP 40 4.968 1.114 7.395 286 1HB ASP 40 1HB ASP 40 4.522 2.470 9.995 287 2HB ASP 40 2HB ASP 40 5.852 1.479 9.446 288 H LYS 41 H LYS 41 4.144 -0.433 9.103 289 HA LYS 41 HA LYS 41 1.673 -1.377 8.896 290 1HB LYS 41 1HB LYS 41 1.963 -2.325 11.162 291 2HB LYS 41 2HB LYS 41 3.347 -2.495 10.119 292 1HG LYS 41 1HG LYS 41 4.597 -1.819 11.803 293 2HG LYS 41 2HG LYS 41 4.107 -0.202 11.389 294 1HD LYS 41 1HD LYS 41 3.711 -0.328 13.693 295 2HD LYS 41 2HD LYS 41 2.092 -0.568 13.008 296 1HE LYS 41 1HE LYS 41 2.452 -3.081 13.224 297 2HE LYS 41 2HE LYS 41 4.018 -2.749 13.977 298 1HZ LYS 41 1HZ LYS 41 2.846 -1.603 15.738 299 2HZ LYS 41 2HZ LYS 41 1.393 -1.927 15.032 300 3HZ LYS 41 3HZ LYS 41 2.326 -3.156 15.599 301 H LYS 42 H LYS 42 2.468 1.192 11.134 302 HA LYS 42 HA LYS 42 0.147 1.527 12.525 303 1HB LYS 42 1HB LYS 42 0.855 3.813 12.966 304 2HB LYS 42 2HB LYS 42 2.313 2.840 12.782 305 1HG LYS 42 1HG LYS 42 1.826 3.724 10.187 306 2HG LYS 42 2HG LYS 42 1.273 5.102 11.108 307 1HD LYS 42 1HD LYS 42 4.004 3.826 11.598 308 2HD LYS 42 2HD LYS 42 3.663 4.654 10.072 309 1HE LYS 42 1HE LYS 42 3.040 6.715 11.503 310 2HE LYS 42 2HE LYS 42 3.885 5.855 12.811 311 1HZ LYS 42 1HZ LYS 42 4.949 6.747 10.209 312 2HZ LYS 42 2HZ LYS 42 5.566 7.068 11.709 313 3HZ LYS 42 3HZ LYS 42 5.687 5.566 10.996 314 H SER 43 H SER 43 0.609 2.535 9.201 315 HA SER 43 HA SER 43 -2.131 3.668 9.033 316 1HB SER 43 1HB SER 43 0.283 4.026 7.217 317 2HB SER 43 2HB SER 43 -1.285 4.843 7.101 318 HG SER 43 HG SER 43 -0.860 5.782 9.132 319 H ALA 44 H ALA 44 0.332 1.543 7.526 320 HA ALA 44 HA ALA 44 -1.116 0.730 5.316 321 1HB ALA 44 1HB ALA 44 0.722 -1.204 6.705 322 2HB ALA 44 2HB ALA 44 0.638 -0.678 4.999 323 3HB ALA 44 3HB ALA 44 1.396 0.355 6.182 324 H HIS 45 H HIS 45 -1.085 -0.759 8.608 325 HA HIS 45 HA HIS 45 -2.901 -2.905 7.745 326 1HB HIS 45 1HB HIS 45 -1.535 -2.130 10.304 327 2HB HIS 45 2HB HIS 45 -3.099 -2.903 10.451 328 HD1 HIS 45 HND HIS 45 -2.452 -5.239 11.233 329 HD2 HIS 45 HD HIS 45 -0.372 -3.895 7.837 330 HE1 HIS 45 HE HIS 45 -1.082 -7.206 10.391 331 H LYS 46 H LYS 46 -3.308 0.434 8.532 332 HA LYS 46 HA LYS 46 -6.041 0.259 8.114 333 1HB LYS 46 1HB LYS 46 -5.600 -0.566 10.739 334 2HB LYS 46 2HB LYS 46 -5.886 1.144 10.969 335 1HG LYS 46 1HG LYS 46 -7.677 -0.778 9.431 336 2HG LYS 46 2HG LYS 46 -7.915 -0.239 11.105 337 1HD LYS 46 1HD LYS 46 -7.960 2.189 10.106 338 2HD LYS 46 2HD LYS 46 -8.063 1.407 8.531 339 1HE LYS 46 1HE LYS 46 -10.296 1.898 9.113 340 2HE LYS 46 2HE LYS 46 -10.115 0.152 9.330 341 1HZ LYS 46 1HZ LYS 46 -10.034 2.197 11.462 342 2HZ LYS 46 2HZ LYS 46 -11.280 1.168 11.164 343 3HZ LYS 46 3HZ LYS 46 -9.844 0.582 11.710 344 H ASP 47 H ASP 47 -6.150 2.039 7.011 345 HA ASP 47 HA ASP 47 -6.628 4.204 6.762 346 1HB ASP 47 1HB ASP 47 -6.152 4.748 9.213 347 2HB ASP 47 2HB ASP 47 -4.482 5.095 8.717 348 H ALA 48 H ALA 48 -4.938 2.360 5.468 349 HA ALA 48 HA ALA 48 -4.155 4.216 3.422 350 1HB ALA 48 1HB ALA 48 -1.768 3.295 3.282 351 2HB ALA 48 2HB ALA 48 -2.089 4.412 4.621 352 3HB ALA 48 3HB ALA 48 -2.042 2.678 4.938 353 H CYS 49 H CYS 49 -2.584 1.078 3.735 354 HA CYS 49 HA CYS 49 -3.584 0.260 1.216 355 1HB CYS 49 1HB CYS 49 -2.504 -1.610 3.295 356 2HB CYS 49 2HB CYS 49 -2.395 -1.768 1.569 357 H LYS 50 H LYS 50 -4.204 -1.244 4.425 358 HA LYS 50 HA LYS 50 -6.496 -2.724 3.486 359 1HB LYS 50 1HB LYS 50 -4.740 -3.277 5.298 360 2HB LYS 50 2HB LYS 50 -5.655 -2.196 6.353 361 1HG LYS 50 1HG LYS 50 -7.692 -3.698 5.897 362 2HG LYS 50 2HG LYS 50 -6.594 -4.748 4.989 363 1HD LYS 50 1HD LYS 50 -6.253 -5.804 7.037 364 2HD LYS 50 2HD LYS 50 -5.142 -4.474 7.284 365 1HE LYS 50 1HE LYS 50 -6.391 -4.431 9.239 366 2HE LYS 50 2HE LYS 50 -7.184 -3.178 8.268 367 1HZ LYS 50 1HZ LYS 50 -8.749 -4.630 9.321 368 2HZ LYS 50 2HZ LYS 50 -8.863 -4.783 7.686 369 3HZ LYS 50 3HZ LYS 50 -8.116 -5.952 8.581 370 H THR 51 H THR 51 -7.057 -0.154 2.834 371 HA THR 51 HA THR 51 -9.470 0.530 4.292 372 HB THR 51 HB THR 51 -7.189 2.574 4.192 373 HG1 THR 51 HG1 THR 51 -7.935 0.665 6.018 374 1HG2 THR 51 1HG2 THR 51 -9.936 2.660 5.517 375 2HG2 THR 51 2HG2 THR 51 -8.677 3.906 5.633 376 3HG2 THR 51 3HG2 THR 51 -9.447 3.580 4.075 377 H CYS 52 H CYS 52 -6.978 1.796 2.000 378 HA CYS 52 HA CYS 52 -8.827 3.020 0.216 379 1HB CYS 52 1HB CYS 52 -6.373 3.419 0.544 380 2HB CYS 52 2HB CYS 52 -6.071 1.954 -0.402 381 H HIS 53 H HIS 53 -7.562 -0.278 0.488 382 HA HIS 53 HA HIS 53 -8.387 -1.254 -2.029 383 1HB HIS 53 1HB HIS 53 -7.801 -2.521 0.656 384 2HB HIS 53 2HB HIS 53 -8.349 -3.479 -0.705 385 HD1 HIS 53 HND HIS 53 -6.174 -4.814 -0.780 386 HD2 HIS 53 HD HIS 53 -5.939 -0.768 -1.830 387 HE1 HIS 53 HE HIS 53 -4.012 -4.506 -2.089 388 H LYS 54 H LYS 54 -10.636 0.291 -1.009 389 HA LYS 54 HA LYS 54 -12.818 -1.111 0.031 390 1HB LYS 54 1HB LYS 54 -12.806 1.164 -1.938 391 2HB LYS 54 2HB LYS 54 -14.172 0.608 -0.961 392 1HG LYS 54 1HG LYS 54 -11.589 1.786 0.096 393 2HG LYS 54 2HG LYS 54 -13.141 2.583 -0.057 394 1HD LYS 54 1HD LYS 54 -12.610 0.197 1.719 395 2HD LYS 54 2HD LYS 54 -12.650 1.879 2.240 396 1HE LYS 54 1HE LYS 54 -15.041 2.045 1.416 397 2HE LYS 54 2HE LYS 54 -15.015 0.306 1.082 398 1HZ LYS 54 1HZ LYS 54 -15.998 0.784 3.186 399 2HZ LYS 54 2HZ LYS 54 -14.618 -0.082 3.405 400 3HZ LYS 54 3HZ LYS 54 -14.639 1.536 3.724 401 H SER 55 H SER 55 -12.835 -3.194 -0.897 402 HA SER 55 HA SER 55 -13.762 -4.805 -2.198 403 1HB SER 55 1HB SER 55 -15.763 -3.276 -2.375 404 2HB SER 55 2HB SER 55 -15.077 -2.628 -3.882 405 HG SER 55 HG SER 55 -15.042 -4.782 -4.663 406 H ASN 56 H ASN 56 -11.145 -3.529 -2.710 407 HA ASN 56 HA ASN 56 -10.796 -4.141 -5.633 408 1HB ASN 56 1HB ASN 56 -8.935 -2.835 -3.612 409 2HB ASN 56 2HB ASN 56 -8.477 -3.304 -5.255 410 1HD2 ASN 56 1HD2 ASN 56 -9.177 -0.509 -3.648 411 2HD2 ASN 56 2HD2 ASN 56 -10.113 0.283 -4.885 412 H ASN 57 H ASN 57 -8.632 -4.788 -2.835 413 HA ASN 57 HA ASN 57 -9.643 -7.507 -2.726 414 1HB ASN 57 1HB ASN 57 -7.731 -7.764 -4.318 415 2HB ASN 57 2HB ASN 57 -6.642 -7.089 -3.090 416 1HD2 ASN 57 1HD2 ASN 57 -5.925 -9.598 -3.913 417 2HD2 ASN 57 2HD2 ASN 57 -6.378 -10.766 -2.690 418 H GLY 58 H GLY 58 -9.992 -7.854 -0.602 419 1HA GLY 58 1HA GLY 58 -9.185 -5.852 1.365 420 2HA GLY 58 2HA GLY 58 -10.169 -7.306 1.614 421 HA PRO 59 HA PRO 59 -6.001 -8.268 3.346 422 1HB PRO 59 1HB PRO 59 -6.595 -8.742 5.938 423 2HB PRO 59 2HB PRO 59 -6.537 -7.099 5.247 424 1HG PRO 59 1HG PRO 59 -8.993 -8.824 5.699 425 2HG PRO 59 2HG PRO 59 -8.761 -7.120 6.186 426 1HD PRO 59 1HD PRO 59 -10.036 -7.881 3.858 427 2HD PRO 59 2HD PRO 59 -9.116 -6.355 3.992 428 H THR 60 H THR 60 -8.695 -10.099 2.619 429 HA THR 60 HA THR 60 -8.958 -12.160 2.026 430 HB THR 60 HB THR 60 -7.518 -12.779 0.490 431 HG1 THR 60 HG1 THR 60 -5.410 -12.647 2.357 432 1HG2 THR 60 1HG2 THR 60 -5.931 -11.152 -0.272 433 2HG2 THR 60 2HG2 THR 60 -7.326 -10.294 0.395 434 3HG2 THR 60 3HG2 THR 60 -5.805 -10.403 1.319 435 H LYS 61 H LYS 61 -7.761 -11.821 4.970 436 HA LYS 61 HA LYS 61 -7.765 -13.132 6.839 437 1HB LYS 61 1HB LYS 61 -7.838 -15.656 5.158 438 2HB LYS 61 2HB LYS 61 -8.040 -15.517 6.886 439 1HG LYS 61 1HG LYS 61 -9.984 -14.218 4.909 440 2HG LYS 61 2HG LYS 61 -10.118 -15.883 5.476 441 1HD LYS 61 1HD LYS 61 -10.128 -15.024 7.855 442 2HD LYS 61 2HD LYS 61 -10.225 -13.374 7.199 443 1HE LYS 61 1HE LYS 61 -12.343 -13.983 6.015 444 2HE LYS 61 2HE LYS 61 -12.215 -15.639 6.628 445 1HZ LYS 61 1HZ LYS 61 -12.440 -14.779 8.856 446 2HZ LYS 61 2HZ LYS 61 -12.592 -13.238 8.288 447 3HZ LYS 61 3HZ LYS 61 -13.730 -14.367 7.928 448 H CYS 62 H CYS 62 -5.711 -11.865 5.671 449 HA CYS 62 HA CYS 62 -3.562 -11.562 6.054 450 1HB CYS 62 1HB CYS 62 -3.805 -13.447 7.772 451 2HB CYS 62 2HB CYS 62 -2.936 -14.410 6.546 452 H GLY 63 H GLY 63 -1.371 -13.276 5.024 453 1HA GLY 63 1HA GLY 63 -0.533 -14.183 3.103 454 2HA GLY 63 2HA GLY 63 -2.180 -14.420 2.509 455 H GLY 64 H GLY 64 -3.193 -11.996 2.268 456 1HA GLY 64 1HA GLY 64 -3.058 -10.988 -0.052 457 2HA GLY 64 2HA GLY 64 -3.101 -9.890 1.343 458 H CYS 65 H CYS 65 -0.777 -9.652 2.300 459 HA CYS 65 HA CYS 65 0.625 -8.167 0.124 460 1HB CYS 65 1HB CYS 65 0.307 -7.455 3.008 461 2HB CYS 65 2HB CYS 65 0.694 -6.359 1.673 462 H HIS 66 H HIS 66 1.085 -9.950 3.170 463 HA HIS 66 HA HIS 66 4.040 -9.823 3.027 464 1HB HIS 66 1HB HIS 66 2.168 -11.424 4.803 465 2HB HIS 66 2HB HIS 66 3.913 -11.377 4.934 466 HD1 HIS 66 HND HIS 66 4.812 -8.572 5.207 467 HD2 HIS 66 HD HIS 66 0.906 -9.713 6.300 468 HE1 HIS 66 HE HIS 66 3.873 -6.772 6.802 469 H ILE 67 H ILE 67 4.677 -10.975 1.122 470 HA ILE 67 HA ILE 67 3.529 -13.542 0.403 471 HB ILE 67 HB ILE 67 6.306 -12.418 -0.193 472 1HG1 ILE 67 1HG1 ILE 67 5.152 -12.340 -2.565 473 2HG1 ILE 67 2HG1 ILE 67 3.637 -12.287 -1.658 474 1HG2 ILE 67 1HG2 ILE 67 6.367 -14.162 -1.939 475 2HG2 ILE 67 2HG2 ILE 67 6.233 -14.892 -0.342 476 3HG2 ILE 67 3HG2 ILE 67 4.800 -14.785 -1.385 477 1HD1 ILE 67 1HD1 ILE 67 4.338 -10.165 -0.627 478 2HD1 ILE 67 2HD1 ILE 67 5.973 -10.353 -1.303 479 3HD1 ILE 67 3HD1 ILE 67 4.583 -10.068 -2.369 480 H LYS 68 H LYS 68 3.365 -14.999 2.106 481 HA LYS 68 HA LYS 68 5.755 -16.037 3.323 482 1HB LYS 68 1HB LYS 68 5.282 -14.072 4.760 483 2HB LYS 68 2HB LYS 68 3.581 -14.531 4.874 484 1HG LYS 68 1HG LYS 68 4.853 -15.068 6.918 485 2HG LYS 68 2HG LYS 68 4.117 -16.502 6.176 486 1HD LYS 68 1HD LYS 68 6.267 -17.126 5.161 487 2HD LYS 68 2HD LYS 68 7.024 -15.644 5.791 488 1HE LYS 68 1HE LYS 68 6.633 -16.455 8.107 489 2HE LYS 68 2HE LYS 68 5.772 -17.874 7.475 490 1HZ LYS 68 1HZ LYS 68 7.795 -18.559 6.402 491 2HZ LYS 68 2HZ LYS 68 8.608 -17.255 6.995 492 3HZ LYS 68 3HZ LYS 68 8.033 -18.409 8.024 493 HHA HEC 69 HCM HEC 69 8.345 7.193 -2.064 494 HHB HEC 69 HDM HEC 69 6.783 10.184 -7.436 495 HHC HEC 69 HAM HEC 69 1.313 6.848 -7.687 496 HHD HEC 69 HBM HEC 69 2.596 4.645 -1.841 497 1HMA HEC 69 HM81 HEC 69 10.229 10.253 -5.931 498 2HMA HEC 69 HM82 HEC 69 9.064 10.279 -7.252 499 3HMA HEC 69 HM83 HEC 69 8.886 11.411 -5.883 500 1HAA HEC 69 HP71 HEC 69 10.273 10.045 -3.628 501 2HAA HEC 69 HP72 HEC 69 9.749 8.916 -2.400 502 1HBA HEC 69 HP73 HEC 69 10.758 7.047 -3.607 503 2HBA HEC 69 HP74 HEC 69 11.214 8.123 -4.937 504 1HMB HEC 69 HM11 HEC 69 5.929 10.603 -9.354 505 2HMB HEC 69 HM12 HEC 69 4.778 9.948 -10.503 506 3HMB HEC 69 HM13 HEC 69 4.263 11.200 -9.341 507 HAB HEC 69 HT2A HEC 69 1.241 8.268 -9.227 508 1HBB HEC 69 HT21 HEC 69 2.564 10.456 -10.800 509 2HBB HEC 69 HT22 HEC 69 2.736 8.733 -11.240 510 3HBB HEC 69 HT23 HEC 69 1.143 9.487 -11.172 511 1HMC HEC 69 HM31 HEC 69 -1.189 5.023 -5.585 512 2HMC HEC 69 HM32 HEC 69 -0.715 6.460 -6.480 513 3HMC HEC 69 HM33 HEC 69 -0.218 4.851 -7.057 514 HAC HEC 69 HT4A HEC 69 0.600 4.283 -2.200 515 1HBC HEC 69 HT41 HEC 69 -1.162 3.205 -4.378 516 2HBC HEC 69 HT42 HEC 69 0.426 2.477 -4.030 517 3HBC HEC 69 HT43 HEC 69 -0.824 2.563 -2.780 518 1HMD HEC 69 HM51 HEC 69 4.029 3.484 -0.352 519 2HMD HEC 69 HM52 HEC 69 5.210 4.151 0.774 520 3HMD HEC 69 HM53 HEC 69 3.663 4.972 0.532 521 1HAD HEC 69 HP61 HEC 69 7.922 6.694 -0.086 522 2HAD HEC 69 HP62 HEC 69 6.654 6.038 0.890 523 1HBD HEC 69 HP63 HEC 69 7.437 3.754 0.469 524 2HBD HEC 69 HP64 HEC 69 8.650 4.370 -0.673 525 HHA HEC 70 HCM HEC 70 -4.042 -4.920 -6.490 526 HHB HEC 70 HDM HEC 70 -0.267 -4.411 -1.332 527 HHC HEC 70 HAM HEC 70 -2.288 1.577 -0.549 528 HHD HEC 70 HBM HEC 70 -6.647 0.759 -5.080 529 1HMA HEC 70 HM81 HEC 70 -0.715 -6.735 -1.871 530 2HMA HEC 70 HM82 HEC 70 -0.668 -7.583 -3.413 531 3HMA HEC 70 HM83 HEC 70 0.552 -6.342 -3.064 532 1HAA HEC 70 HP71 HEC 70 -2.780 -6.725 -6.415 533 2HAA HEC 70 HP72 HEC 70 -1.528 -7.520 -5.494 534 1HBA HEC 70 HP73 HEC 70 -3.135 -8.087 -3.719 535 2HBA HEC 70 HP74 HEC 70 -4.400 -7.184 -4.562 536 1HMB HEC 70 HM11 HEC 70 0.922 -2.149 1.393 537 2HMB HEC 70 HM12 HEC 70 -0.214 -3.484 1.159 538 3HMB HEC 70 HM13 HEC 70 1.196 -3.318 0.092 539 HAB HEC 70 HT2A HEC 70 -0.841 1.284 0.846 540 1HBB HEC 70 HT21 HEC 70 1.799 -0.188 0.924 541 2HBB HEC 70 HT22 HEC 70 1.369 1.143 -0.154 542 3HBB HEC 70 HT23 HEC 70 1.440 1.406 1.594 543 1HMC HEC 70 HM31 HEC 70 -4.183 3.559 -0.550 544 2HMC HEC 70 HM32 HEC 70 -2.765 3.632 -1.600 545 3HMC HEC 70 HM33 HEC 70 -4.271 4.374 -2.129 546 HAC HEC 70 HT4A HEC 70 -7.435 2.046 -3.222 547 1HBC HEC 70 HT41 HEC 70 -6.665 3.130 -5.249 548 2HBC HEC 70 HT42 HEC 70 -7.699 4.217 -4.316 549 3HBC HEC 70 HT43 HEC 70 -5.943 4.446 -4.283 550 1HMD HEC 70 HM51 HEC 70 -8.055 -1.710 -7.526 551 2HMD HEC 70 HM52 HEC 70 -7.880 -0.193 -6.643 552 3HMD HEC 70 HM53 HEC 70 -6.946 -0.477 -8.130 553 1HAD HEC 70 HP61 HEC 70 -5.804 -2.578 -8.898 554 2HAD HEC 70 HP62 HEC 70 -4.734 -3.874 -8.426 555 1HBD HEC 70 HP63 HEC 70 -6.612 -5.267 -7.757 556 2HBD HEC 70 HP64 HEC 70 -7.751 -3.934 -8.026 557 HHA HEC 71 HCM HEC 71 4.096 -4.027 8.762 558 HHB HEC 71 HDM HEC 71 1.769 -9.249 11.626 559 HHC HEC 71 HAM HEC 71 -2.332 -9.987 6.808 560 HHD HEC 71 HBM HEC 71 -0.053 -4.854 4.010 561 1HMA HEC 71 HM81 HEC 71 3.899 -8.586 12.606 562 2HMA HEC 71 HM82 HEC 71 4.404 -6.967 13.113 563 3HMA HEC 71 HM83 HEC 71 2.717 -7.473 13.328 564 1HAA HEC 71 HP71 HEC 71 5.558 -4.681 10.293 565 2HAA HEC 71 HP72 HEC 71 5.437 -5.294 11.941 566 1HBA HEC 71 HP73 HEC 71 5.833 -7.585 11.050 567 2HBA HEC 71 HP74 HEC 71 6.065 -6.879 9.441 568 1HMB HEC 71 HM11 HEC 71 0.170 -12.498 10.693 569 2HMB HEC 71 HM12 HEC 71 1.145 -11.356 11.593 570 3HMB HEC 71 HM13 HEC 71 -0.593 -11.466 11.936 571 HAB HEC 71 HT2A HEC 71 -3.050 -11.129 8.499 572 1HBB HEC 71 HT21 HEC 71 -3.558 -12.912 9.884 573 2HBB HEC 71 HT22 HEC 71 -1.884 -13.200 10.346 574 3HBB HEC 71 HT23 HEC 71 -2.753 -11.752 10.932 575 1HMC HEC 71 HM31 HEC 71 -3.952 -9.280 5.156 576 2HMC HEC 71 HM32 HEC 71 -3.369 -9.005 3.490 577 3HMC HEC 71 HM33 HEC 71 -2.569 -10.167 4.569 578 HAC HEC 71 HT4A HEC 71 -1.913 -5.179 3.214 579 1HBC HEC 71 HT41 HEC 71 -4.259 -6.994 2.956 580 2HBC HEC 71 HT42 HEC 71 -4.150 -5.607 4.077 581 3HBC HEC 71 HT43 HEC 71 -4.025 -5.360 2.327 582 1HMD HEC 71 HM51 HEC 71 2.294 -2.058 4.076 583 2HMD HEC 71 HM52 HEC 71 1.734 -3.572 3.314 584 3HMD HEC 71 HM53 HEC 71 0.586 -2.576 4.155 585 1HAD HEC 71 HP61 HEC 71 3.587 -1.591 5.780 586 2HAD HEC 71 HP62 HEC 71 3.387 -1.869 7.489 587 1HBD HEC 71 HP63 HEC 71 5.327 -3.668 7.064 588 2HBD HEC 71 HP64 HEC 71 5.670 -2.619 5.721 Start of MODEL 8 1 1H ALA 1 1H ALA 1 6.960 5.006 -7.752 2 2H ALA 1 2H ALA 1 7.262 6.604 -7.917 3 3H ALA 1 3H ALA 1 6.504 5.771 -9.127 4 HA ALA 1 HA ALA 1 8.728 6.160 -9.773 5 1HB ALA 1 1HB ALA 1 10.587 5.131 -8.519 6 2HB ALA 1 2HB ALA 1 9.756 6.387 -7.587 7 3HB ALA 1 3HB ALA 1 9.477 4.678 -7.214 8 H ASP 2 H ASP 2 8.991 2.980 -8.189 9 HA ASP 2 HA ASP 2 8.025 1.357 -10.342 10 1HB ASP 2 1HB ASP 2 10.177 0.461 -10.885 11 2HB ASP 2 2HB ASP 2 10.257 2.203 -11.153 12 H VAL 3 H VAL 3 8.670 -0.994 -9.594 13 HA VAL 3 HA VAL 3 7.355 -1.238 -7.140 14 HB VAL 3 HB VAL 3 7.163 -2.926 -8.820 15 1HG1 VAL 3 1HG1 VAL 3 9.437 -2.908 -9.795 16 2HG1 VAL 3 2HG1 VAL 3 10.070 -3.696 -8.335 17 3HG1 VAL 3 3HG1 VAL 3 8.906 -4.537 -9.370 18 1HG2 VAL 3 1HG2 VAL 3 6.842 -3.606 -6.429 19 2HG2 VAL 3 2HG2 VAL 3 7.331 -4.937 -7.483 20 3HG2 VAL 3 3HG2 VAL 3 8.516 -4.189 -6.396 21 H VAL 4 H VAL 4 7.867 -1.321 -5.057 22 HA VAL 4 HA VAL 4 10.737 -1.587 -4.260 23 HB VAL 4 HB VAL 4 8.661 0.441 -3.368 24 1HG1 VAL 4 1HG1 VAL 4 11.297 -0.215 -1.960 25 2HG1 VAL 4 2HG1 VAL 4 10.283 1.201 -1.635 26 3HG1 VAL 4 3HG1 VAL 4 9.685 -0.406 -1.253 27 1HG2 VAL 4 1HG2 VAL 4 10.152 1.043 -5.271 28 2HG2 VAL 4 2HG2 VAL 4 10.442 2.045 -3.837 29 3HG2 VAL 4 3HG2 VAL 4 11.558 0.719 -4.237 30 H THR 5 H THR 5 10.892 -2.297 -1.976 31 HA THR 5 HA THR 5 8.392 -3.050 -0.843 32 HB THR 5 HB THR 5 9.114 -5.219 -1.783 33 HG1 THR 5 HG1 THR 5 8.308 -4.867 0.377 34 1HG2 THR 5 1HG2 THR 5 11.197 -6.331 -1.088 35 2HG2 THR 5 2HG2 THR 5 11.518 -4.875 -2.043 36 3HG2 THR 5 3HG2 THR 5 11.731 -4.846 -0.282 37 H TYR 6 H TYR 6 8.251 -3.019 1.225 38 HA TYR 6 HA TYR 6 9.883 -1.242 2.711 39 1HB TYR 6 1HB TYR 6 7.653 -3.089 3.573 40 2HB TYR 6 2HB TYR 6 8.256 -1.710 4.469 41 HD1 TYR 6 HD1 TYR 6 8.401 0.444 2.369 42 HD2 TYR 6 HD2 TYR 6 5.417 -2.539 3.196 43 HE1 TYR 6 HE1 TYR 6 6.754 1.705 1.067 44 HE2 TYR 6 HE2 TYR 6 3.750 -1.235 1.929 45 HH TYR 6 HH TYR 6 4.702 0.975 -0.345 46 H GLU 7 H GLU 7 9.978 -4.757 2.530 47 HA GLU 7 HA GLU 7 10.876 -6.399 3.761 48 1HB GLU 7 1HB GLU 7 12.809 -4.264 4.383 49 2HB GLU 7 2HB GLU 7 13.099 -6.006 4.541 50 1HG GLU 7 1HG GLU 7 12.525 -4.623 1.877 51 2HG GLU 7 2HG GLU 7 14.144 -4.994 2.472 52 H ASN 8 H ASN 8 9.006 -5.985 5.218 53 HA ASN 8 HA ASN 8 9.626 -5.582 8.094 54 1HB ASN 8 1HB ASN 8 7.367 -6.542 8.463 55 2HB ASN 8 2HB ASN 8 7.327 -5.141 7.439 56 1HD2 ASN 8 1HD2 ASN 8 6.154 -5.399 5.485 57 2HD2 ASN 8 2HD2 ASN 8 5.903 -6.957 4.746 58 H LYS 9 H LYS 9 9.047 -7.454 9.586 59 HA LYS 9 HA LYS 9 10.740 -9.680 8.849 60 1HB LYS 9 1HB LYS 9 9.484 -8.589 11.329 61 2HB LYS 9 2HB LYS 9 9.438 -10.336 11.265 62 1HG LYS 9 1HG LYS 9 11.425 -9.807 12.364 63 2HG LYS 9 2HG LYS 9 11.880 -10.354 10.735 64 1HD LYS 9 1HD LYS 9 11.772 -7.747 10.165 65 2HD LYS 9 2HD LYS 9 11.878 -7.528 11.906 66 1HE LYS 9 1HE LYS 9 13.835 -8.953 10.037 67 2HE LYS 9 2HE LYS 9 14.099 -7.409 10.859 68 1HZ LYS 9 1HZ LYS 9 13.818 -10.030 12.188 69 2HZ LYS 9 2HZ LYS 9 15.226 -9.215 11.969 70 3HZ LYS 9 3HZ LYS 9 14.067 -8.596 12.960 71 H LYS 10 H LYS 10 7.422 -9.188 8.190 72 HA LYS 10 HA LYS 10 6.530 -11.865 8.948 73 1HB LYS 10 1HB LYS 10 5.227 -9.835 7.073 74 2HB LYS 10 2HB LYS 10 4.428 -11.236 7.754 75 1HG LYS 10 1HG LYS 10 5.607 -9.114 9.579 76 2HG LYS 10 2HG LYS 10 4.108 -8.801 8.725 77 1HD LYS 10 1HD LYS 10 3.703 -9.666 10.976 78 2HD LYS 10 2HD LYS 10 2.988 -10.688 9.718 79 1HE LYS 10 1HE LYS 10 4.713 -12.366 10.012 80 2HE LYS 10 2HE LYS 10 5.689 -11.270 11.028 81 1HZ LYS 10 1HZ LYS 10 3.981 -11.427 12.691 82 2HZ LYS 10 2HZ LYS 10 3.084 -12.434 11.739 83 3HZ LYS 10 3HZ LYS 10 4.551 -12.917 12.300 84 H GLY 11 H GLY 11 7.136 -10.150 5.945 85 1HA GLY 11 1HA GLY 11 8.549 -12.130 4.557 86 2HA GLY 11 2HA GLY 11 6.832 -12.432 4.194 87 H ASN 12 H ASN 12 8.662 -9.453 4.884 88 HA ASN 12 HA ASN 12 8.839 -7.439 3.847 89 1HB ASN 12 1HB ASN 12 8.701 -8.975 1.243 90 2HB ASN 12 2HB ASN 12 9.547 -7.469 1.592 91 1HD2 ASN 12 1HD2 ASN 12 10.657 -8.507 4.276 92 2HD2 ASN 12 2HD2 ASN 12 11.977 -9.499 3.694 93 H VAL 13 H VAL 13 7.730 -6.136 1.790 94 HA VAL 13 HA VAL 13 5.015 -7.087 1.174 95 HB VAL 13 HB VAL 13 5.577 -4.603 2.744 96 1HG1 VAL 13 1HG1 VAL 13 3.394 -3.609 1.847 97 2HG1 VAL 13 2HG1 VAL 13 4.757 -3.456 0.775 98 3HG1 VAL 13 3HG1 VAL 13 3.531 -4.722 0.481 99 1HG2 VAL 13 1HG2 VAL 13 3.252 -5.052 3.565 100 2HG2 VAL 13 2HG2 VAL 13 3.185 -6.470 2.501 101 3HG2 VAL 13 3HG2 VAL 13 4.341 -6.384 3.828 102 H THR 14 H THR 14 5.349 -7.330 -0.972 103 HA THR 14 HA THR 14 6.980 -5.362 -2.453 104 HB THR 14 HB THR 14 7.153 -7.725 -3.031 105 HG1 THR 14 HG1 THR 14 7.516 -6.144 -4.604 106 1HG2 THR 14 1HG2 THR 14 4.306 -7.556 -4.103 107 2HG2 THR 14 2HG2 THR 14 5.419 -8.930 -4.186 108 3HG2 THR 14 3HG2 THR 14 4.766 -8.417 -2.621 109 H PHE 15 H PHE 15 6.123 -3.511 -3.278 110 HA PHE 15 HA PHE 15 3.224 -3.483 -3.931 111 1HB PHE 15 1HB PHE 15 2.861 -1.378 -2.917 112 2HB PHE 15 2HB PHE 15 3.590 -2.406 -1.709 113 HD1 PHE 15 HD1 PHE 15 3.840 0.726 -3.511 114 HD2 PHE 15 HD2 PHE 15 6.045 -2.146 -1.158 115 HE1 PHE 15 HE1 PHE 15 5.466 2.492 -2.875 116 HE2 PHE 15 HE2 PHE 15 7.647 -0.382 -0.528 117 HZ PHE 15 HZ PHE 15 7.339 1.929 -1.323 118 H ASP 16 H ASP 16 3.141 -3.228 -6.086 119 HA ASP 16 HA ASP 16 5.366 -1.992 -7.494 120 1HB ASP 16 1HB ASP 16 4.299 -3.777 -8.609 121 2HB ASP 16 2HB ASP 16 2.754 -2.924 -8.625 122 H HIS 17 H HIS 17 5.700 0.000 -7.350 123 HA HIS 17 HA HIS 17 3.939 1.967 -6.251 124 1HB HIS 17 1HB HIS 17 6.489 1.556 -6.109 125 2HB HIS 17 2HB HIS 17 6.587 2.281 -7.718 126 HD1 HIS 17 HND HIS 17 8.205 3.462 -5.435 127 HD2 HIS 17 HD HIS 17 4.236 4.549 -6.307 128 HE1 HIS 17 HE HIS 17 7.842 5.782 -4.436 129 H LYS 18 H LYS 18 5.453 1.414 -9.431 130 HA LYS 18 HA LYS 18 4.235 3.624 -10.823 131 1HB LYS 18 1HB LYS 18 5.833 3.330 -12.179 132 2HB LYS 18 2HB LYS 18 6.373 1.972 -11.287 133 1HG LYS 18 1HG LYS 18 4.177 1.474 -13.251 134 2HG LYS 18 2HG LYS 18 5.745 1.905 -13.839 135 1HD LYS 18 1HD LYS 18 6.909 0.149 -12.966 136 2HD LYS 18 2HD LYS 18 5.733 -0.175 -11.724 137 1HE LYS 18 1HE LYS 18 5.211 -0.672 -14.701 138 2HE LYS 18 2HE LYS 18 5.817 -1.909 -13.577 139 1HZ LYS 18 1HZ LYS 18 3.212 -0.538 -13.366 140 2HZ LYS 18 2HZ LYS 18 3.468 -2.073 -13.828 141 3HZ LYS 18 3HZ LYS 18 3.839 -1.678 -12.284 142 H ALA 19 H ALA 19 3.560 0.139 -10.649 143 HA ALA 19 HA ALA 19 1.147 -0.030 -12.108 144 1HB ALA 19 1HB ALA 19 0.278 -1.543 -10.314 145 2HB ALA 19 2HB ALA 19 1.851 -2.002 -10.966 146 3HB ALA 19 3HB ALA 19 1.725 -1.141 -9.390 147 H HIS 20 H HIS 20 1.251 0.812 -8.571 148 HA HIS 20 HA HIS 20 -1.536 1.445 -8.512 149 1HB HIS 20 1HB HIS 20 0.783 2.227 -6.717 150 2HB HIS 20 2HB HIS 20 -0.862 2.790 -6.457 151 HD1 HIS 20 HND HIS 20 0.987 -0.594 -6.586 152 HD2 HIS 20 HD HIS 20 -2.432 1.272 -5.010 153 HE1 HIS 20 HE HIS 20 -0.112 -2.265 -4.997 154 H ALA 21 H ALA 21 1.341 3.341 -9.294 155 HA ALA 21 HA ALA 21 0.058 5.908 -9.412 156 1HB ALA 21 1HB ALA 21 1.961 6.656 -10.656 157 2HB ALA 21 2HB ALA 21 2.531 5.535 -9.387 158 3HB ALA 21 3HB ALA 21 2.442 5.011 -11.070 159 H GLU 22 H GLU 22 0.648 3.573 -12.062 160 HA GLU 22 HA GLU 22 -0.555 5.304 -14.041 161 1HB GLU 22 1HB GLU 22 -0.061 3.565 -15.643 162 2HB GLU 22 2HB GLU 22 1.316 3.839 -14.579 163 1HG GLU 22 1HG GLU 22 0.443 1.798 -13.244 164 2HG GLU 22 2HG GLU 22 -0.545 1.450 -14.665 165 H LYS 23 H LYS 23 -1.582 2.356 -12.311 166 HA LYS 23 HA LYS 23 -4.136 2.048 -13.451 167 1HB LYS 23 1HB LYS 23 -3.088 1.506 -10.639 168 2HB LYS 23 2HB LYS 23 -4.595 0.854 -11.271 169 1HG LYS 23 1HG LYS 23 -1.981 0.365 -12.773 170 2HG LYS 23 2HG LYS 23 -2.338 -0.570 -11.329 171 1HD LYS 23 1HD LYS 23 -4.373 -0.264 -13.531 172 2HD LYS 23 2HD LYS 23 -3.026 -1.409 -13.705 173 1HE LYS 23 1HE LYS 23 -3.636 -2.526 -11.562 174 2HE LYS 23 2HE LYS 23 -4.986 -1.412 -11.332 175 1HZ LYS 23 1HZ LYS 23 -5.638 -3.501 -12.118 176 2HZ LYS 23 2HZ LYS 23 -6.038 -2.375 -13.245 177 3HZ LYS 23 3HZ LYS 23 -4.751 -3.397 -13.494 178 H LEU 24 H LEU 24 -3.140 3.884 -10.509 179 HA LEU 24 HA LEU 24 -5.945 4.749 -10.153 180 1HB LEU 24 1HB LEU 24 -3.602 5.197 -8.300 181 2HB LEU 24 2HB LEU 24 -5.321 5.304 -7.937 182 HG LEU 24 HG LEU 24 -3.999 2.677 -8.775 183 1HD1 LEU 24 1HD1 LEU 24 -4.468 3.801 -6.005 184 2HD1 LEU 24 2HD1 LEU 24 -4.040 2.118 -6.381 185 3HD1 LEU 24 3HD1 LEU 24 -2.924 3.447 -6.763 186 1HD2 LEU 24 1HD2 LEU 24 -6.445 2.746 -9.084 187 2HD2 LEU 24 2HD2 LEU 24 -5.982 1.693 -7.740 188 3HD2 LEU 24 3HD2 LEU 24 -6.644 3.306 -7.405 189 H GLY 25 H GLY 25 -2.673 6.277 -10.505 190 1HA GLY 25 1HA GLY 25 -2.961 8.252 -12.063 191 2HA GLY 25 2HA GLY 25 -3.903 8.978 -10.743 192 H CYS 26 H CYS 26 -2.893 8.983 -8.657 193 HA CYS 26 HA CYS 26 -0.258 8.558 -7.901 194 1HB CYS 26 1HB CYS 26 -0.019 10.587 -9.742 195 2HB CYS 26 2HB CYS 26 -0.517 11.530 -8.361 196 H ASP 27 H ASP 27 -2.856 10.844 -7.971 197 HA ASP 27 HA ASP 27 -2.818 12.201 -5.587 198 1HB ASP 27 1HB ASP 27 -5.414 11.203 -6.838 199 2HB ASP 27 2HB ASP 27 -5.068 12.763 -6.097 200 H ALA 28 H ALA 28 -4.211 9.169 -6.445 201 HA ALA 28 HA ALA 28 -5.706 8.241 -4.416 202 1HB ALA 28 1HB ALA 28 -3.598 6.680 -5.971 203 2HB ALA 28 2HB ALA 28 -5.035 5.999 -5.182 204 3HB ALA 28 3HB ALA 28 -5.228 7.109 -6.547 205 H CYS 29 H CYS 29 -2.168 8.478 -4.364 206 HA CYS 29 HA CYS 29 -2.210 7.715 -1.452 207 1HB CYS 29 1HB CYS 29 0.075 7.394 -3.398 208 2HB CYS 29 2HB CYS 29 0.061 6.987 -1.671 209 H HIS 30 H HIS 30 -0.672 9.733 -4.008 210 HA HIS 30 HA HIS 30 0.578 11.412 -1.882 211 1HB HIS 30 1HB HIS 30 1.068 11.150 -4.860 212 2HB HIS 30 2HB HIS 30 1.907 12.268 -3.798 213 HD1 HIS 30 HND HIS 30 3.214 10.951 -1.669 214 HD2 HIS 30 HD HIS 30 2.429 9.017 -5.253 215 HE1 HIS 30 HE HIS 30 4.970 8.998 -1.896 216 H GLU 31 H GLU 31 -1.601 12.204 -1.429 217 HA GLU 31 HA GLU 31 -3.292 13.596 -3.113 218 1HB GLU 31 1HB GLU 31 -2.596 14.319 -0.203 219 2HB GLU 31 2HB GLU 31 -3.975 14.933 -1.120 220 1HG GLU 31 1HG GLU 31 -3.977 12.109 -1.397 221 2HG GLU 31 2HG GLU 31 -3.678 12.427 0.314 222 H GLY 32 H GLY 32 -1.009 15.213 -1.022 223 1HA GLY 32 1HA GLY 32 -1.268 17.768 -2.402 224 2HA GLY 32 2HA GLY 32 -0.202 17.423 -1.033 225 H THR 33 H THR 33 1.624 15.720 -1.718 226 HA THR 33 HA THR 33 2.656 15.897 -4.363 227 HB THR 33 HB THR 33 3.132 18.227 -3.677 228 HG1 THR 33 HG1 THR 33 4.650 17.404 -4.986 229 1HG2 THR 33 1HG2 THR 33 4.816 17.067 -1.418 230 2HG2 THR 33 2HG2 THR 33 4.658 18.769 -1.875 231 3HG2 THR 33 3HG2 THR 33 3.263 17.905 -1.208 232 HA PRO 34 HA PRO 34 4.575 12.403 -2.296 233 1HB PRO 34 1HB PRO 34 6.363 11.551 -4.123 234 2HB PRO 34 2HB PRO 34 4.611 11.352 -4.350 235 1HG PRO 34 1HG PRO 34 6.372 13.432 -5.547 236 2HG PRO 34 2HG PRO 34 5.019 12.492 -6.275 237 1HD PRO 34 1HD PRO 34 4.755 15.087 -5.363 238 2HD PRO 34 2HD PRO 34 3.416 13.902 -5.356 239 H ALA 35 H ALA 35 5.978 12.504 -0.631 240 HA ALA 35 HA ALA 35 8.795 13.148 -1.120 241 1HB ALA 35 1HB ALA 35 7.821 15.367 -0.622 242 2HB ALA 35 2HB ALA 35 7.113 14.728 0.877 243 3HB ALA 35 3HB ALA 35 8.881 14.822 0.695 244 H LYS 36 H LYS 36 7.909 10.747 -0.794 245 HA LYS 36 HA LYS 36 7.767 8.841 0.340 246 1HB LYS 36 1HB LYS 36 9.464 10.362 2.325 247 2HB LYS 36 2HB LYS 36 8.581 8.968 2.896 248 1HG LYS 36 1HG LYS 36 9.630 7.693 0.857 249 2HG LYS 36 2HG LYS 36 10.655 9.117 0.684 250 1HD LYS 36 1HD LYS 36 11.771 7.350 1.917 251 2HD LYS 36 2HD LYS 36 11.546 8.759 2.962 252 1HE LYS 36 1HE LYS 36 10.202 7.587 4.432 253 2HE LYS 36 2HE LYS 36 9.243 6.921 3.114 254 1HZ LYS 36 1HZ LYS 36 11.623 5.639 4.207 255 2HZ LYS 36 2HZ LYS 36 10.044 5.108 3.919 256 3HZ LYS 36 3HZ LYS 36 10.972 5.320 2.688 257 H ILE 37 H ILE 37 6.138 7.741 1.365 258 HA ILE 37 HA ILE 37 4.185 9.375 2.914 259 HB ILE 37 HB ILE 37 3.903 6.451 2.217 260 1HG1 ILE 37 1HG1 ILE 37 3.416 8.876 0.494 261 2HG1 ILE 37 2HG1 ILE 37 4.377 7.432 0.145 262 1HG2 ILE 37 1HG2 ILE 37 2.365 7.471 3.911 263 2HG2 ILE 37 2HG2 ILE 37 1.869 8.673 2.702 264 3HG2 ILE 37 3HG2 ILE 37 1.511 6.950 2.465 265 1HD1 ILE 37 1HD1 ILE 37 2.343 7.343 -1.141 266 2HD1 ILE 37 2HD1 ILE 37 2.203 6.113 0.138 267 3HD1 ILE 37 3HD1 ILE 37 1.342 7.664 0.279 268 H ALA 38 H ALA 38 6.409 6.744 3.129 269 HA ALA 38 HA ALA 38 7.418 5.590 4.801 270 1HB ALA 38 1HB ALA 38 7.893 7.792 5.789 271 2HB ALA 38 2HB ALA 38 6.394 7.698 6.741 272 3HB ALA 38 3HB ALA 38 7.680 6.509 7.007 273 H ILE 39 H ILE 39 5.849 4.061 4.072 274 HA ILE 39 HA ILE 39 3.470 3.613 5.726 275 HB ILE 39 HB ILE 39 4.735 2.120 3.444 276 1HG1 ILE 39 1HG1 ILE 39 3.715 4.350 2.964 277 2HG1 ILE 39 2HG1 ILE 39 2.966 3.012 2.138 278 1HG2 ILE 39 1HG2 ILE 39 2.156 1.497 4.934 279 2HG2 ILE 39 2HG2 ILE 39 2.659 0.758 3.400 280 3HG2 ILE 39 3HG2 ILE 39 3.607 0.481 4.845 281 1HD1 ILE 39 1HD1 ILE 39 1.076 3.101 3.803 282 2HD1 ILE 39 2HD1 ILE 39 1.845 4.543 4.511 283 3HD1 ILE 39 3HD1 ILE 39 1.278 4.562 2.839 284 H ASP 40 H ASP 40 3.732 2.926 7.584 285 HA ASP 40 HA ASP 40 5.722 0.841 8.416 286 1HB ASP 40 1HB ASP 40 4.551 3.149 10.058 287 2HB ASP 40 2HB ASP 40 5.535 1.841 10.705 288 H LYS 41 H LYS 41 4.742 -0.363 10.361 289 HA LYS 41 HA LYS 41 2.369 -1.624 9.852 290 1HB LYS 41 1HB LYS 41 2.403 -2.310 12.213 291 2HB LYS 41 2HB LYS 41 3.907 -2.477 11.339 292 1HG LYS 41 1HG LYS 41 4.926 -1.591 13.045 293 2HG LYS 41 2HG LYS 41 4.328 -0.016 12.526 294 1HD LYS 41 1HD LYS 41 2.259 -0.440 13.982 295 2HD LYS 41 2HD LYS 41 3.043 -1.901 14.572 296 1HE LYS 41 1HE LYS 41 4.116 0.960 14.834 297 2HE LYS 41 2HE LYS 41 3.333 0.028 16.116 298 1HZ LYS 41 1HZ LYS 41 5.891 -0.661 14.819 299 2HZ LYS 41 2HZ LYS 41 5.701 -0.043 16.326 300 3HZ LYS 41 3HZ LYS 41 5.151 -1.554 15.986 301 H LYS 42 H LYS 42 2.534 1.119 12.221 302 HA LYS 42 HA LYS 42 -0.265 1.208 12.556 303 1HB LYS 42 1HB LYS 42 1.355 1.990 14.195 304 2HB LYS 42 2HB LYS 42 1.933 3.261 13.093 305 1HG LYS 42 1HG LYS 42 -0.122 4.387 13.151 306 2HG LYS 42 2HG LYS 42 -0.954 3.009 13.924 307 1HD LYS 42 1HD LYS 42 0.440 3.366 15.977 308 2HD LYS 42 2HD LYS 42 1.168 4.794 15.229 309 1HE LYS 42 1HE LYS 42 -1.800 4.369 15.884 310 2HE LYS 42 2HE LYS 42 -0.677 5.386 16.794 311 1HZ LYS 42 1HZ LYS 42 -2.014 6.685 15.311 312 2HZ LYS 42 2HZ LYS 42 -0.445 6.771 14.832 313 3HZ LYS 42 3HZ LYS 42 -1.511 5.833 13.999 314 H SER 43 H SER 43 1.581 2.211 9.856 315 HA SER 43 HA SER 43 -0.491 4.149 8.889 316 1HB SER 43 1HB SER 43 2.499 3.922 8.656 317 2HB SER 43 2HB SER 43 1.523 4.969 7.617 318 HG SER 43 HG SER 43 0.921 6.149 9.443 319 H ALA 44 H ALA 44 0.022 1.212 8.666 320 HA ALA 44 HA ALA 44 -0.321 0.763 5.711 321 1HB ALA 44 1HB ALA 44 0.563 -1.489 6.226 322 2HB ALA 44 2HB ALA 44 1.780 -0.198 6.433 323 3HB ALA 44 3HB ALA 44 1.028 -0.953 7.843 324 H HIS 45 H HIS 45 -0.737 -0.465 8.962 325 HA HIS 45 HA HIS 45 -3.036 -2.127 8.218 326 1HB HIS 45 1HB HIS 45 -1.076 -2.128 10.478 327 2HB HIS 45 2HB HIS 45 -2.692 -2.694 10.844 328 HD1 HIS 45 HND HIS 45 -3.496 -4.966 9.801 329 HD2 HIS 45 HD HIS 45 0.345 -3.674 8.701 330 HE1 HIS 45 HE HIS 45 -2.398 -6.908 8.607 331 H LYS 46 H LYS 46 -2.743 1.040 9.389 332 HA LYS 46 HA LYS 46 -5.211 0.887 10.990 333 1HB LYS 46 1HB LYS 46 -3.313 2.317 11.558 334 2HB LYS 46 2HB LYS 46 -3.633 3.352 10.166 335 1HG LYS 46 1HG LYS 46 -5.681 2.734 12.367 336 2HG LYS 46 2HG LYS 46 -4.481 4.036 12.489 337 1HD LYS 46 1HD LYS 46 -5.298 5.027 10.414 338 2HD LYS 46 2HD LYS 46 -6.591 3.803 10.325 339 1HE LYS 46 1HE LYS 46 -7.451 4.686 12.540 340 2HE LYS 46 2HE LYS 46 -6.210 5.953 12.444 341 1HZ LYS 46 1HZ LYS 46 -7.233 6.486 10.209 342 2HZ LYS 46 2HZ LYS 46 -8.460 5.538 10.589 343 3HZ LYS 46 3HZ LYS 46 -8.171 6.869 11.523 344 H ASP 47 H ASP 47 -4.470 3.107 8.234 345 HA ASP 47 HA ASP 47 -6.812 2.169 6.709 346 1HB ASP 47 1HB ASP 47 -7.747 4.460 6.705 347 2HB ASP 47 2HB ASP 47 -7.735 3.748 8.317 348 H ALA 48 H ALA 48 -4.083 1.951 6.115 349 HA ALA 48 HA ALA 48 -3.708 3.945 3.889 350 1HB ALA 48 1HB ALA 48 -1.336 2.971 3.954 351 2HB ALA 48 2HB ALA 48 -1.837 4.022 5.291 352 3HB ALA 48 3HB ALA 48 -1.807 2.279 5.535 353 H CYS 49 H CYS 49 -2.416 0.645 4.186 354 HA CYS 49 HA CYS 49 -3.236 0.074 1.478 355 1HB CYS 49 1HB CYS 49 -2.280 -1.929 3.474 356 2HB CYS 49 2HB CYS 49 -2.139 -2.012 1.729 357 H LYS 50 H LYS 50 -4.145 -1.421 4.652 358 HA LYS 50 HA LYS 50 -6.407 -2.777 3.352 359 1HB LYS 50 1HB LYS 50 -6.895 -3.639 5.642 360 2HB LYS 50 2HB LYS 50 -5.394 -4.138 4.900 361 1HG LYS 50 1HG LYS 50 -4.076 -3.156 6.404 362 2HG LYS 50 2HG LYS 50 -5.071 -1.710 6.583 363 1HD LYS 50 1HD LYS 50 -5.922 -4.417 7.718 364 2HD LYS 50 2HD LYS 50 -4.899 -3.293 8.600 365 1HE LYS 50 1HE LYS 50 -6.825 -1.519 7.938 366 2HE LYS 50 2HE LYS 50 -7.809 -2.983 7.827 367 1HZ LYS 50 1HZ LYS 50 -6.215 -2.050 10.117 368 2HZ LYS 50 2HZ LYS 50 -7.839 -1.916 10.004 369 3HZ LYS 50 3HZ LYS 50 -7.144 -3.416 10.151 370 H THR 51 H THR 51 -6.851 -0.279 2.825 371 HA THR 51 HA THR 51 -9.553 -0.241 3.979 372 HB THR 51 HB THR 51 -8.519 1.623 5.137 373 HG1 THR 51 HG1 THR 51 -10.098 3.153 4.422 374 1HG2 THR 51 1HG2 THR 51 -8.163 3.024 2.446 375 2HG2 THR 51 2HG2 THR 51 -7.860 3.667 4.051 376 3HG2 THR 51 3HG2 THR 51 -6.836 2.361 3.437 377 H CYS 52 H CYS 52 -7.513 1.311 1.441 378 HA CYS 52 HA CYS 52 -9.295 1.553 -0.616 379 1HB CYS 52 1HB CYS 52 -6.376 0.842 -0.434 380 2HB CYS 52 2HB CYS 52 -7.214 0.626 -1.970 381 H HIS 53 H HIS 53 -7.315 -1.411 -0.139 382 HA HIS 53 HA HIS 53 -8.609 -2.725 -2.243 383 1HB HIS 53 1HB HIS 53 -7.333 -4.311 -0.035 384 2HB HIS 53 2HB HIS 53 -7.457 -4.682 -1.749 385 HD1 HIS 53 HND HIS 53 -5.526 -2.394 0.678 386 HD2 HIS 53 HD HIS 53 -5.551 -3.400 -3.431 387 HE1 HIS 53 HE HIS 53 -3.465 -1.495 -0.328 388 H LYS 54 H LYS 54 -9.861 -2.179 0.969 389 HA LYS 54 HA LYS 54 -11.699 -4.467 1.027 390 1HB LYS 54 1HB LYS 54 -11.922 -1.772 2.429 391 2HB LYS 54 2HB LYS 54 -12.942 -3.182 2.646 392 1HG LYS 54 1HG LYS 54 -11.046 -4.485 3.512 393 2HG LYS 54 2HG LYS 54 -9.970 -3.075 3.323 394 1HD LYS 54 1HD LYS 54 -11.325 -1.749 4.846 395 2HD LYS 54 2HD LYS 54 -12.581 -3.000 4.901 396 1HE LYS 54 1HE LYS 54 -10.986 -4.565 5.999 397 2HE LYS 54 2HE LYS 54 -9.752 -3.290 6.008 398 1HZ LYS 54 1HZ LYS 54 -10.970 -3.457 8.096 399 2HZ LYS 54 2HZ LYS 54 -11.200 -1.982 7.395 400 3HZ LYS 54 3HZ LYS 54 -12.385 -3.123 7.336 401 H SER 55 H SER 55 -11.732 -1.032 0.033 402 HA SER 55 HA SER 55 -14.483 -1.187 -0.990 403 1HB SER 55 1HB SER 55 -13.585 0.864 0.086 404 2HB SER 55 2HB SER 55 -12.367 0.995 -1.204 405 HG SER 55 HG SER 55 -14.110 1.103 -2.687 406 H ASN 56 H ASN 56 -13.089 -3.185 -2.186 407 HA ASN 56 HA ASN 56 -13.056 -2.639 -5.012 408 1HB ASN 56 1HB ASN 56 -10.407 -2.878 -3.535 409 2HB ASN 56 2HB ASN 56 -10.587 -3.462 -5.186 410 1HD2 ASN 56 1HD2 ASN 56 -10.020 -0.596 -3.273 411 2HD2 ASN 56 2HD2 ASN 56 -10.046 0.494 -4.648 412 H ASN 57 H ASN 57 -11.668 -4.767 -2.429 413 HA ASN 57 HA ASN 57 -12.980 -7.134 -3.621 414 1HB ASN 57 1HB ASN 57 -10.893 -6.742 -4.912 415 2HB ASN 57 2HB ASN 57 -9.947 -6.843 -3.423 416 1HD2 ASN 57 1HD2 ASN 57 -9.251 -8.517 -5.446 417 2HD2 ASN 57 2HD2 ASN 57 -9.782 -10.150 -5.093 418 H GLY 58 H GLY 58 -10.380 -6.272 -1.299 419 1HA GLY 58 1HA GLY 58 -10.476 -6.374 0.965 420 2HA GLY 58 2HA GLY 58 -11.917 -7.377 0.947 421 HA PRO 59 HA PRO 59 -8.059 -10.290 1.226 422 1HB PRO 59 1HB PRO 59 -6.557 -9.715 3.389 423 2HB PRO 59 2HB PRO 59 -6.277 -8.872 1.838 424 1HG PRO 59 1HG PRO 59 -7.902 -7.890 4.205 425 2HG PRO 59 2HG PRO 59 -6.618 -7.006 3.328 426 1HD PRO 59 1HD PRO 59 -9.282 -6.695 2.794 427 2HD PRO 59 2HD PRO 59 -8.055 -6.588 1.493 428 H THR 60 H THR 60 -8.102 -12.059 2.648 429 HA THR 60 HA THR 60 -10.322 -12.057 4.665 430 HB THR 60 HB THR 60 -10.607 -14.435 3.834 431 HG1 THR 60 HG1 THR 60 -9.373 -13.723 1.447 432 1HG2 THR 60 1HG2 THR 60 -11.049 -12.229 1.757 433 2HG2 THR 60 2HG2 THR 60 -11.854 -13.811 1.799 434 3HG2 THR 60 3HG2 THR 60 -12.137 -12.637 3.097 435 H LYS 61 H LYS 61 -7.667 -14.093 3.538 436 HA LYS 61 HA LYS 61 -6.860 -14.679 6.390 437 1HB LYS 61 1HB LYS 61 -6.493 -16.344 3.873 438 2HB LYS 61 2HB LYS 61 -5.989 -16.796 5.506 439 1HG LYS 61 1HG LYS 61 -8.861 -16.381 4.555 440 2HG LYS 61 2HG LYS 61 -8.052 -17.920 4.866 441 1HD LYS 61 1HD LYS 61 -7.702 -17.169 7.271 442 2HD LYS 61 2HD LYS 61 -8.750 -15.773 6.920 443 1HE LYS 61 1HE LYS 61 -10.591 -17.325 6.271 444 2HE LYS 61 2HE LYS 61 -9.556 -18.710 6.656 445 1HZ LYS 61 1HZ LYS 61 -11.035 -18.191 8.452 446 2HZ LYS 61 2HZ LYS 61 -9.485 -17.943 8.933 447 3HZ LYS 61 3HZ LYS 61 -10.453 -16.659 8.575 448 H CYS 62 H CYS 62 -5.889 -12.446 5.955 449 HA CYS 62 HA CYS 62 -4.159 -11.086 5.511 450 1HB CYS 62 1HB CYS 62 -2.503 -13.575 6.069 451 2HB CYS 62 2HB CYS 62 -1.919 -11.903 6.158 452 H GLY 63 H GLY 63 -1.602 -12.714 4.266 453 1HA GLY 63 1HA GLY 63 -0.949 -13.553 2.248 454 2HA GLY 63 2HA GLY 63 -2.632 -13.543 1.708 455 H GLY 64 H GLY 64 -3.380 -11.031 1.675 456 1HA GLY 64 1HA GLY 64 -2.887 -10.306 -0.836 457 2HA GLY 64 2HA GLY 64 -3.479 -9.190 0.404 458 H CYS 65 H CYS 65 -0.328 -9.758 1.291 459 HA CYS 65 HA CYS 65 0.863 -7.595 -0.284 460 1HB CYS 65 1HB CYS 65 0.331 -7.221 2.652 461 2HB CYS 65 2HB CYS 65 1.155 -6.067 1.591 462 H HIS 66 H HIS 66 1.043 -9.460 2.793 463 HA HIS 66 HA HIS 66 3.943 -9.574 2.754 464 1HB HIS 66 1HB HIS 66 1.899 -11.193 4.333 465 2HB HIS 66 2HB HIS 66 3.643 -11.204 4.597 466 HD1 HIS 66 HND HIS 66 4.539 -8.396 4.788 467 HD2 HIS 66 HD HIS 66 0.667 -9.520 5.992 468 HE1 HIS 66 HE HIS 66 3.642 -6.570 6.384 469 H ILE 67 H ILE 67 5.204 -10.963 1.579 470 HA ILE 67 HA ILE 67 3.891 -13.165 0.117 471 HB ILE 67 HB ILE 67 6.783 -12.253 0.103 472 1HG1 ILE 67 1HG1 ILE 67 5.463 -10.392 -0.664 473 2HG1 ILE 67 2HG1 ILE 67 6.189 -11.174 -2.062 474 1HG2 ILE 67 1HG2 ILE 67 6.811 -13.463 -2.092 475 2HG2 ILE 67 2HG2 ILE 67 6.566 -14.537 -0.713 476 3HG2 ILE 67 3HG2 ILE 67 5.191 -14.099 -1.737 477 1HD1 ILE 67 1HD1 ILE 67 3.978 -12.337 -2.497 478 2HD1 ILE 67 2HD1 ILE 67 3.277 -11.389 -1.163 479 3HD1 ILE 67 3HD1 ILE 67 3.903 -10.577 -2.594 480 H LYS 68 H LYS 68 3.197 -14.113 2.065 481 HA LYS 68 HA LYS 68 5.067 -15.782 3.606 482 1HB LYS 68 1HB LYS 68 2.049 -15.776 3.249 483 2HB LYS 68 2HB LYS 68 2.962 -16.886 4.315 484 1HG LYS 68 1HG LYS 68 3.659 -15.120 5.749 485 2HG LYS 68 2HG LYS 68 3.091 -13.875 4.635 486 1HD LYS 68 1HD LYS 68 1.606 -14.203 6.600 487 2HD LYS 68 2HD LYS 68 0.777 -14.366 5.055 488 1HE LYS 68 1HE LYS 68 1.810 -16.780 6.631 489 2HE LYS 68 2HE LYS 68 0.225 -16.060 6.941 490 1HZ LYS 68 1HZ LYS 68 0.044 -17.892 5.443 491 2HZ LYS 68 2HZ LYS 68 -0.394 -16.507 4.672 492 3HZ LYS 68 3HZ LYS 68 1.059 -17.204 4.360 493 HHA HEC 69 HCM HEC 69 8.466 7.425 -1.603 494 HHB HEC 69 HDM HEC 69 6.889 10.506 -6.866 495 HHC HEC 69 HAM HEC 69 1.628 6.915 -7.462 496 HHD HEC 69 HBM HEC 69 2.843 4.382 -1.738 497 1HMA HEC 69 HM81 HEC 69 8.683 11.882 -5.200 498 2HMA HEC 69 HM82 HEC 69 10.163 10.908 -5.076 499 3HMA HEC 69 HM83 HEC 69 9.153 10.766 -6.510 500 1HAA HEC 69 HP71 HEC 69 10.200 10.477 -2.855 501 2HAA HEC 69 HP72 HEC 69 9.687 9.272 -1.701 502 1HBA HEC 69 HP73 HEC 69 10.809 7.505 -2.991 503 2HBA HEC 69 HP74 HEC 69 11.262 8.686 -4.230 504 1HMB HEC 69 HM11 HEC 69 6.208 10.830 -8.858 505 2HMB HEC 69 HM12 HEC 69 5.139 10.158 -10.067 506 3HMB HEC 69 HM13 HEC 69 4.529 11.388 -8.929 507 HAB HEC 69 HT2A HEC 69 1.623 8.325 -9.036 508 1HBB HEC 69 HT21 HEC 69 3.251 8.888 -10.933 509 2HBB HEC 69 HT22 HEC 69 1.619 9.551 -10.987 510 3HBB HEC 69 HT23 HEC 69 2.946 10.594 -10.496 511 1HMC HEC 69 HM31 HEC 69 0.111 5.129 -7.010 512 2HMC HEC 69 HM32 HEC 69 -0.838 4.838 -5.549 513 3HMC HEC 69 HM33 HEC 69 -0.538 6.496 -6.073 514 HAC HEC 69 HT4A HEC 69 0.731 4.464 -1.982 515 1HBC HEC 69 HT41 HEC 69 -0.603 2.561 -2.530 516 2HBC HEC 69 HT42 HEC 69 -0.534 2.923 -4.250 517 3HBC HEC 69 HT43 HEC 69 0.931 2.382 -3.405 518 1HMD HEC 69 HM51 HEC 69 3.633 4.227 0.254 519 2HMD HEC 69 HM52 HEC 69 5.093 3.225 0.156 520 3HMD HEC 69 HM53 HEC 69 5.034 4.645 1.222 521 1HAD HEC 69 HP61 HEC 69 8.579 5.810 -0.225 522 2HAD HEC 69 HP62 HEC 69 7.434 6.269 1.032 523 1HBD HEC 69 HP63 HEC 69 6.992 3.851 1.393 524 2HBD HEC 69 HP64 HEC 69 8.139 3.476 0.082 525 HHA HEC 70 HCM HEC 70 -3.471 -4.656 -6.664 526 HHB HEC 70 HDM HEC 70 0.375 -4.203 -1.533 527 HHC HEC 70 HAM HEC 70 -2.128 1.497 -0.219 528 HHD HEC 70 HBM HEC 70 -6.341 0.755 -4.910 529 1HMA HEC 70 HM81 HEC 70 0.808 -6.698 -4.281 530 2HMA HEC 70 HM82 HEC 70 1.061 -5.896 -2.739 531 3HMA HEC 70 HM83 HEC 70 -0.179 -7.160 -2.898 532 1HAA HEC 70 HP71 HEC 70 -1.665 -6.020 -6.911 533 2HAA HEC 70 HP72 HEC 70 -0.625 -7.018 -5.924 534 1HBA HEC 70 HP73 HEC 70 -3.645 -6.997 -5.623 535 2HBA HEC 70 HP74 HEC 70 -2.767 -8.079 -6.707 536 1HMB HEC 70 HM11 HEC 70 1.497 -1.985 1.285 537 2HMB HEC 70 HM12 HEC 70 0.575 -3.470 0.983 538 3HMB HEC 70 HM13 HEC 70 1.859 -2.966 -0.142 539 HAB HEC 70 HT2A HEC 70 -0.931 1.054 1.315 540 1HBB HEC 70 HT21 HEC 70 1.236 1.486 0.218 541 2HBB HEC 70 HT22 HEC 70 1.201 1.647 1.978 542 3HBB HEC 70 HT23 HEC 70 1.948 0.218 1.226 543 1HMC HEC 70 HM31 HEC 70 -4.548 4.186 -1.363 544 2HMC HEC 70 HM32 HEC 70 -4.244 3.083 -0.012 545 3HMC HEC 70 HM33 HEC 70 -2.895 3.683 -1.013 546 HAC HEC 70 HT4A HEC 70 -7.107 2.170 -3.569 547 1HBC HEC 70 HT41 HEC 70 -6.258 3.837 -4.816 548 2HBC HEC 70 HT42 HEC 70 -7.090 4.707 -3.520 549 3HBC HEC 70 HT43 HEC 70 -5.313 4.562 -3.476 550 1HMD HEC 70 HM51 HEC 70 -7.837 -1.553 -7.111 551 2HMD HEC 70 HM52 HEC 70 -7.394 0.078 -6.588 552 3HMD HEC 70 HM53 HEC 70 -6.775 -0.549 -8.116 553 1HAD HEC 70 HP61 HEC 70 -5.628 -2.411 -8.908 554 2HAD HEC 70 HP62 HEC 70 -4.275 -3.470 -8.571 555 1HBD HEC 70 HP63 HEC 70 -5.776 -5.193 -7.723 556 2HBD HEC 70 HP64 HEC 70 -7.164 -4.100 -7.874 557 HHA HEC 71 HCM HEC 71 3.900 -4.149 9.143 558 HHB HEC 71 HDM HEC 71 0.766 -9.345 11.204 559 HHC HEC 71 HAM HEC 71 -2.763 -9.315 5.879 560 HHD HEC 71 HBM HEC 71 0.395 -4.230 3.822 561 1HMA HEC 71 HM81 HEC 71 2.421 -7.054 13.365 562 2HMA HEC 71 HM82 HEC 71 2.025 -8.688 12.832 563 3HMA HEC 71 HM83 HEC 71 3.712 -8.128 12.822 564 1HAA HEC 71 HP71 HEC 71 4.806 -4.722 11.042 565 2HAA HEC 71 HP72 HEC 71 4.518 -5.726 12.450 566 1HBA HEC 71 HP73 HEC 71 5.590 -7.629 11.389 567 2HBA HEC 71 HP74 HEC 71 5.698 -6.745 9.861 568 1HMB HEC 71 HM11 HEC 71 -1.539 -10.679 11.491 569 2HMB HEC 71 HM12 HEC 71 -1.789 -11.993 10.318 570 3HMB HEC 71 HM13 HEC 71 -0.150 -11.535 10.776 571 HAB HEC 71 HT2A HEC 71 -3.899 -10.211 7.483 572 1HBB HEC 71 HT21 HEC 71 -5.244 -10.758 9.324 573 2HBB HEC 71 HT22 HEC 71 -3.850 -10.888 10.409 574 3HBB HEC 71 HT23 HEC 71 -4.276 -9.317 9.686 575 1HMC HEC 71 HM31 HEC 71 -2.996 -9.129 3.681 576 2HMC HEC 71 HM32 HEC 71 -4.167 -7.820 3.958 577 3HMC HEC 71 HM33 HEC 71 -3.124 -7.839 2.504 578 HAC HEC 71 HT4A HEC 71 -1.367 -4.293 2.762 579 1HBC HEC 71 HT41 HEC 71 -3.907 -5.820 2.227 580 2HBC HEC 71 HT42 HEC 71 -3.729 -4.469 3.367 581 3HBC HEC 71 HT43 HEC 71 -3.420 -4.238 1.635 582 1HMD HEC 71 HM51 HEC 71 1.939 -1.528 4.503 583 2HMD HEC 71 HM52 HEC 71 3.508 -2.298 4.244 584 3HMD HEC 71 HM53 HEC 71 2.073 -2.940 3.459 585 1HAD HEC 71 HP61 HEC 71 3.922 -1.441 6.317 586 2HAD HEC 71 HP62 HEC 71 3.534 -1.731 7.998 587 1HBD HEC 71 HP63 HEC 71 5.921 -1.594 7.568 588 2HBD HEC 71 HP64 HEC 71 5.513 -3.164 8.232 Start of MODEL 9 1 1H ALA 1 1H ALA 1 10.650 5.944 -9.838 2 2H ALA 1 2H ALA 1 11.127 6.046 -8.236 3 3H ALA 1 3H ALA 1 11.112 4.595 -9.058 4 HA ALA 1 HA ALA 1 9.250 4.690 -7.608 5 1HB ALA 1 1HB ALA 1 8.406 7.050 -9.355 6 2HB ALA 1 2HB ALA 1 7.392 6.231 -8.148 7 3HB ALA 1 3HB ALA 1 8.835 7.120 -7.629 8 H ASP 2 H ASP 2 8.326 2.815 -8.310 9 HA ASP 2 HA ASP 2 7.806 2.100 -11.013 10 1HB ASP 2 1HB ASP 2 9.874 0.694 -11.165 11 2HB ASP 2 2HB ASP 2 9.937 2.411 -11.555 12 H VAL 3 H VAL 3 9.697 0.275 -8.558 13 HA VAL 3 HA VAL 3 7.268 -0.819 -7.312 14 HB VAL 3 HB VAL 3 7.577 -2.337 -9.161 15 1HG1 VAL 3 1HG1 VAL 3 10.426 -2.801 -8.181 16 2HG1 VAL 3 2HG1 VAL 3 9.601 -3.670 -9.487 17 3HG1 VAL 3 3HG1 VAL 3 9.969 -1.950 -9.672 18 1HG2 VAL 3 1HG2 VAL 3 8.598 -3.661 -6.613 19 2HG2 VAL 3 2HG2 VAL 3 6.899 -3.287 -6.967 20 3HG2 VAL 3 3HG2 VAL 3 7.776 -4.440 -7.976 21 H VAL 4 H VAL 4 7.551 -1.325 -5.167 22 HA VAL 4 HA VAL 4 10.326 -1.290 -4.060 23 HB VAL 4 HB VAL 4 7.981 0.378 -3.127 24 1HG1 VAL 4 1HG1 VAL 4 9.514 1.133 -1.262 25 2HG1 VAL 4 2HG1 VAL 4 9.063 -0.555 -1.079 26 3HG1 VAL 4 3HG1 VAL 4 10.657 -0.137 -1.726 27 1HG2 VAL 4 1HG2 VAL 4 9.306 1.446 -4.880 28 2HG2 VAL 4 2HG2 VAL 4 9.570 2.248 -3.321 29 3HG2 VAL 4 3HG2 VAL 4 10.797 1.129 -3.957 30 H THR 5 H THR 5 10.357 -2.254 -1.883 31 HA THR 5 HA THR 5 7.858 -3.397 -1.087 32 HB THR 5 HB THR 5 8.966 -5.342 -2.216 33 HG1 THR 5 HG1 THR 5 8.041 -5.261 0.116 34 1HG2 THR 5 1HG2 THR 5 11.282 -4.972 -0.265 35 2HG2 THR 5 2HG2 THR 5 11.063 -6.298 -1.416 36 3HG2 THR 5 3HG2 THR 5 11.347 -4.654 -2.013 37 H TYR 6 H TYR 6 7.478 -3.408 0.994 38 HA TYR 6 HA TYR 6 9.428 -2.271 2.881 39 1HB TYR 6 1HB TYR 6 6.822 -3.565 3.637 40 2HB TYR 6 2HB TYR 6 7.781 -2.400 4.529 41 HD1 TYR 6 HD1 TYR 6 5.264 -2.930 1.981 42 HD2 TYR 6 HD2 TYR 6 7.922 0.035 3.576 43 HE1 TYR 6 HE1 TYR 6 3.912 -1.182 0.921 44 HE2 TYR 6 HE2 TYR 6 6.657 1.778 2.353 45 HH TYR 6 HH TYR 6 4.217 1.023 0.109 46 H GLU 7 H GLU 7 11.177 -3.735 3.038 47 HA GLU 7 HA GLU 7 10.713 -6.580 3.216 48 1HB GLU 7 1HB GLU 7 13.070 -6.725 3.801 49 2HB GLU 7 2HB GLU 7 12.671 -6.106 2.196 50 1HG GLU 7 1HG GLU 7 13.261 -3.832 2.814 51 2HG GLU 7 2HG GLU 7 13.395 -4.270 4.529 52 H ASN 8 H ASN 8 9.220 -6.561 4.770 53 HA ASN 8 HA ASN 8 9.622 -5.769 7.543 54 1HB ASN 8 1HB ASN 8 7.658 -7.800 6.454 55 2HB ASN 8 2HB ASN 8 7.491 -6.858 7.931 56 1HD2 ASN 8 1HD2 ASN 8 6.040 -7.147 5.129 57 2HD2 ASN 8 2HD2 ASN 8 5.684 -5.455 4.769 58 H LYS 9 H LYS 9 9.343 -7.413 9.359 59 HA LYS 9 HA LYS 9 11.322 -9.539 8.870 60 1HB LYS 9 1HB LYS 9 10.008 -8.617 11.470 61 2HB LYS 9 2HB LYS 9 11.335 -9.759 11.312 62 1HG LYS 9 1HG LYS 9 11.352 -6.776 10.719 63 2HG LYS 9 2HG LYS 9 12.198 -7.607 12.019 64 1HD LYS 9 1HD LYS 9 12.800 -7.767 9.029 65 2HD LYS 9 2HD LYS 9 13.753 -6.955 10.270 66 1HE LYS 9 1HE LYS 9 14.208 -9.151 11.378 67 2HE LYS 9 2HE LYS 9 13.289 -9.981 10.115 68 1HZ LYS 9 1HZ LYS 9 15.740 -8.421 9.674 69 2HZ LYS 9 2HZ LYS 9 15.604 -10.060 9.653 70 3HZ LYS 9 3HZ LYS 9 14.854 -9.160 8.499 71 H LYS 10 H LYS 10 7.914 -8.991 9.855 72 HA LYS 10 HA LYS 10 7.292 -11.793 10.104 73 1HB LYS 10 1HB LYS 10 5.158 -11.307 10.334 74 2HB LYS 10 2HB LYS 10 5.876 -9.767 10.722 75 1HG LYS 10 1HG LYS 10 4.001 -9.279 9.474 76 2HG LYS 10 2HG LYS 10 5.318 -8.985 8.363 77 1HD LYS 10 1HD LYS 10 3.061 -10.189 7.693 78 2HD LYS 10 2HD LYS 10 4.570 -10.617 6.914 79 1HE LYS 10 1HE LYS 10 4.760 -12.656 8.305 80 2HE LYS 10 2HE LYS 10 3.331 -12.214 9.203 81 1HZ LYS 10 1HZ LYS 10 3.173 -13.830 7.123 82 2HZ LYS 10 2HZ LYS 10 2.066 -12.597 7.178 83 3HZ LYS 10 3HZ LYS 10 3.425 -12.572 6.253 84 H GLY 11 H GLY 11 7.171 -9.711 7.195 85 1HA GLY 11 1HA GLY 11 7.906 -11.716 5.359 86 2HA GLY 11 2HA GLY 11 6.137 -11.734 5.458 87 H ASN 12 H ASN 12 8.446 -10.621 3.594 88 HA ASN 12 HA ASN 12 8.379 -7.835 3.439 89 1HB ASN 12 1HB ASN 12 8.823 -9.897 1.252 90 2HB ASN 12 2HB ASN 12 9.133 -8.168 1.082 91 1HD2 ASN 12 1HD2 ASN 12 10.031 -9.042 4.332 92 2HD2 ASN 12 2HD2 ASN 12 11.710 -9.281 3.951 93 H VAL 13 H VAL 13 7.044 -6.348 2.466 94 HA VAL 13 HA VAL 13 4.570 -7.341 1.050 95 HB VAL 13 HB VAL 13 5.073 -4.910 2.779 96 1HG1 VAL 13 1HG1 VAL 13 2.693 -4.298 2.174 97 2HG1 VAL 13 2HG1 VAL 13 3.816 -4.096 0.823 98 3HG1 VAL 13 3HG1 VAL 13 2.755 -5.513 0.881 99 1HG2 VAL 13 1HG2 VAL 13 3.372 -5.741 4.161 100 2HG2 VAL 13 2HG2 VAL 13 2.805 -6.898 2.940 101 3HG2 VAL 13 3HG2 VAL 13 4.369 -7.149 3.733 102 H THR 14 H THR 14 4.870 -7.146 -1.081 103 HA THR 14 HA THR 14 6.674 -5.070 -2.169 104 HB THR 14 HB THR 14 6.826 -7.417 -2.934 105 HG1 THR 14 HG1 THR 14 6.069 -5.642 -5.002 106 1HG2 THR 14 1HG2 THR 14 4.399 -8.009 -2.949 107 2HG2 THR 14 2HG2 THR 14 4.152 -6.909 -4.319 108 3HG2 THR 14 3HG2 THR 14 5.198 -8.327 -4.497 109 H PHE 15 H PHE 15 5.949 -3.481 -3.683 110 HA PHE 15 HA PHE 15 3.114 -3.396 -4.362 111 1HB PHE 15 1HB PHE 15 2.741 -1.116 -3.610 112 2HB PHE 15 2HB PHE 15 3.013 -2.210 -2.268 113 HD1 PHE 15 HD1 PHE 15 5.430 -2.320 -1.268 114 HD2 PHE 15 HD2 PHE 15 3.890 0.954 -3.635 115 HE1 PHE 15 HE1 PHE 15 7.014 -0.779 -0.183 116 HE2 PHE 15 HE2 PHE 15 5.437 2.504 -2.475 117 HZ PHE 15 HZ PHE 15 6.980 1.621 -0.721 118 H ASP 16 H ASP 16 3.032 -2.984 -6.434 119 HA ASP 16 HA ASP 16 5.260 -1.761 -7.901 120 1HB ASP 16 1HB ASP 16 2.641 -2.988 -8.676 121 2HB ASP 16 2HB ASP 16 3.278 -1.633 -9.636 122 H HIS 17 H HIS 17 5.622 0.261 -7.569 123 HA HIS 17 HA HIS 17 3.899 2.190 -6.357 124 1HB HIS 17 1HB HIS 17 6.582 1.841 -6.683 125 2HB HIS 17 2HB HIS 17 6.283 2.908 -8.052 126 HD1 HIS 17 HND HIS 17 8.013 3.493 -5.376 127 HD2 HIS 17 HD HIS 17 4.165 4.872 -6.395 128 HE1 HIS 17 HE HIS 17 7.669 5.659 -4.136 129 H LYS 18 H LYS 18 5.298 1.780 -9.592 130 HA LYS 18 HA LYS 18 3.864 3.793 -10.998 131 1HB LYS 18 1HB LYS 18 5.409 3.370 -12.419 132 2HB LYS 18 2HB LYS 18 5.906 1.933 -11.558 133 1HG LYS 18 1HG LYS 18 3.560 1.754 -13.415 134 2HG LYS 18 2HG LYS 18 5.189 1.802 -14.008 135 1HD LYS 18 1HD LYS 18 5.906 -0.152 -13.070 136 2HD LYS 18 2HD LYS 18 4.787 -0.098 -11.727 137 1HE LYS 18 1HE LYS 18 2.871 -0.602 -13.236 138 2HE LYS 18 2HE LYS 18 3.926 -0.566 -14.649 139 1HZ LYS 18 1HZ LYS 18 3.424 -2.795 -13.840 140 2HZ LYS 18 2HZ LYS 18 5.047 -2.505 -13.769 141 3HZ LYS 18 3HZ LYS 18 4.160 -2.481 -12.405 142 H ALA 19 H ALA 19 3.141 0.276 -10.676 143 HA ALA 19 HA ALA 19 0.723 0.285 -12.098 144 1HB ALA 19 1HB ALA 19 1.140 -1.174 -9.510 145 2HB ALA 19 2HB ALA 19 -0.054 -1.536 -10.760 146 3HB ALA 19 3HB ALA 19 1.667 -1.765 -11.131 147 H HIS 20 H HIS 20 1.182 0.965 -8.571 148 HA HIS 20 HA HIS 20 -1.574 1.600 -8.128 149 1HB HIS 20 1HB HIS 20 0.954 2.194 -6.566 150 2HB HIS 20 2HB HIS 20 -0.635 2.762 -6.058 151 HD1 HIS 20 HND HIS 20 0.952 -0.656 -6.910 152 HD2 HIS 20 HD HIS 20 -2.059 1.142 -4.603 153 HE1 HIS 20 HE HIS 20 -0.185 -2.528 -5.579 154 H ALA 21 H ALA 21 1.052 3.366 -9.568 155 HA ALA 21 HA ALA 21 -0.252 5.987 -9.291 156 1HB ALA 21 1HB ALA 21 2.217 5.670 -9.551 157 2HB ALA 21 2HB ALA 21 1.950 5.224 -11.239 158 3HB ALA 21 3HB ALA 21 1.459 6.828 -10.681 159 H GLU 22 H GLU 22 0.213 3.749 -12.023 160 HA GLU 22 HA GLU 22 -1.286 5.380 -13.850 161 1HB GLU 22 1HB GLU 22 -0.781 3.688 -15.505 162 2HB GLU 22 2HB GLU 22 0.633 4.009 -14.497 163 1HG GLU 22 1HG GLU 22 -0.192 1.950 -13.114 164 2HG GLU 22 2HG GLU 22 -1.168 1.564 -14.532 165 H LYS 23 H LYS 23 -2.031 2.345 -12.096 166 HA LYS 23 HA LYS 23 -4.610 1.906 -13.192 167 1HB LYS 23 1HB LYS 23 -3.468 1.244 -10.441 168 2HB LYS 23 2HB LYS 23 -4.905 0.513 -11.135 169 1HG LYS 23 1HG LYS 23 -2.244 0.345 -12.623 170 2HG LYS 23 2HG LYS 23 -2.532 -0.695 -11.240 171 1HD LYS 23 1HD LYS 23 -4.551 -0.442 -13.463 172 2HD LYS 23 2HD LYS 23 -3.123 -1.487 -13.641 173 1HE LYS 23 1HE LYS 23 -3.707 -2.689 -11.518 174 2HE LYS 23 2HE LYS 23 -5.170 -1.718 -11.349 175 1HZ LYS 23 1HZ LYS 23 -6.042 -2.767 -13.295 176 2HZ LYS 23 2HZ LYS 23 -4.628 -3.610 -13.537 177 3HZ LYS 23 3HZ LYS 23 -5.519 -3.876 -12.190 178 H LEU 24 H LEU 24 -3.490 3.715 -10.350 179 HA LEU 24 HA LEU 24 -6.296 4.277 -9.563 180 1HB LEU 24 1HB LEU 24 -3.951 4.917 -7.818 181 2HB LEU 24 2HB LEU 24 -5.593 4.486 -7.383 182 HG LEU 24 HG LEU 24 -3.561 2.554 -8.596 183 1HD1 LEU 24 1HD1 LEU 24 -2.881 3.246 -6.337 184 2HD1 LEU 24 2HD1 LEU 24 -4.440 2.741 -5.711 185 3HD1 LEU 24 3HD1 LEU 24 -3.379 1.542 -6.440 186 1HD2 LEU 24 1HD2 LEU 24 -6.281 1.989 -7.395 187 2HD2 LEU 24 2HD2 LEU 24 -5.855 1.870 -9.109 188 3HD2 LEU 24 3HD2 LEU 24 -5.075 0.798 -7.934 189 H GLY 25 H GLY 25 -3.142 6.074 -9.931 190 1HA GLY 25 1HA GLY 25 -3.694 8.107 -11.369 191 2HA GLY 25 2HA GLY 25 -4.562 8.676 -9.926 192 H CYS 26 H CYS 26 -3.392 8.774 -7.956 193 HA CYS 26 HA CYS 26 -0.675 8.462 -7.410 194 1HB CYS 26 1HB CYS 26 -0.530 10.375 -9.334 195 2HB CYS 26 2HB CYS 26 -1.053 11.401 -8.025 196 H ASP 27 H ASP 27 -3.300 10.604 -7.322 197 HA ASP 27 HA ASP 27 -3.562 11.988 -4.945 198 1HB ASP 27 1HB ASP 27 -5.969 11.674 -5.462 199 2HB ASP 27 2HB ASP 27 -5.050 12.156 -6.890 200 H ALA 28 H ALA 28 -4.320 8.690 -5.793 201 HA ALA 28 HA ALA 28 -5.490 7.482 -3.716 202 1HB ALA 28 1HB ALA 28 -4.749 6.291 -5.691 203 2HB ALA 28 2HB ALA 28 -3.046 6.535 -5.263 204 3HB ALA 28 3HB ALA 28 -4.059 5.464 -4.272 205 H CYS 29 H CYS 29 -2.071 8.431 -3.745 206 HA CYS 29 HA CYS 29 -1.891 7.920 -0.794 207 1HB CYS 29 1HB CYS 29 0.275 7.363 -2.792 208 2HB CYS 29 2HB CYS 29 0.248 6.965 -1.060 209 H HIS 30 H HIS 30 -0.779 9.906 -3.581 210 HA HIS 30 HA HIS 30 0.561 11.800 -1.654 211 1HB HIS 30 1HB HIS 30 1.298 11.195 -4.501 212 2HB HIS 30 2HB HIS 30 2.055 12.369 -3.453 213 HD1 HIS 30 HND HIS 30 3.669 11.175 -1.385 214 HD2 HIS 30 HD HIS 30 2.256 8.917 -4.629 215 HE1 HIS 30 HE HIS 30 5.308 9.227 -1.769 216 H GLU 31 H GLU 31 -0.684 13.598 -1.571 217 HA GLU 31 HA GLU 31 -2.595 14.239 -3.706 218 1HB GLU 31 1HB GLU 31 -1.900 16.015 -1.289 219 2HB GLU 31 2HB GLU 31 -3.324 16.027 -2.333 220 1HG GLU 31 1HG GLU 31 -3.674 13.639 -1.596 221 2HG GLU 31 2HG GLU 31 -2.481 13.907 -0.318 222 H GLY 32 H GLY 32 -0.102 16.057 -2.139 223 1HA GLY 32 1HA GLY 32 0.499 17.652 -4.634 224 2HA GLY 32 2HA GLY 32 0.624 18.263 -2.982 225 H THR 33 H THR 33 2.552 17.988 -1.890 226 HA THR 33 HA THR 33 4.868 17.134 -3.329 227 HB THR 33 HB THR 33 5.084 18.830 -1.705 228 HG1 THR 33 HG1 THR 33 6.371 16.665 -0.485 229 1HG2 THR 33 1HG2 THR 33 3.330 18.250 -0.042 230 2HG2 THR 33 2HG2 THR 33 4.299 16.869 0.503 231 3HG2 THR 33 3HG2 THR 33 4.905 18.516 0.706 232 HA PRO 34 HA PRO 34 3.948 12.874 -2.421 233 1HB PRO 34 1HB PRO 34 5.905 11.543 -3.760 234 2HB PRO 34 2HB PRO 34 4.496 12.309 -4.541 235 1HG PRO 34 1HG PRO 34 7.272 13.411 -4.240 236 2HG PRO 34 2HG PRO 34 6.207 13.437 -5.682 237 1HD PRO 34 1HD PRO 34 6.496 15.599 -3.983 238 2HD PRO 34 2HD PRO 34 4.974 15.245 -4.851 239 H ALA 35 H ALA 35 7.318 13.868 -2.234 240 HA ALA 35 HA ALA 35 9.084 13.360 -0.885 241 1HB ALA 35 1HB ALA 35 8.032 15.446 -0.214 242 2HB ALA 35 2HB ALA 35 7.010 14.580 0.962 243 3HB ALA 35 3HB ALA 35 8.773 14.653 1.178 244 H LYS 36 H LYS 36 7.731 10.909 -1.046 245 HA LYS 36 HA LYS 36 7.166 9.025 -0.184 246 1HB LYS 36 1HB LYS 36 8.586 7.939 1.484 247 2HB LYS 36 2HB LYS 36 9.423 8.501 0.058 248 1HG LYS 36 1HG LYS 36 10.440 10.317 1.185 249 2HG LYS 36 2HG LYS 36 9.507 10.034 2.676 250 1HD LYS 36 1HD LYS 36 11.257 7.896 1.378 251 2HD LYS 36 2HD LYS 36 11.934 9.068 2.511 252 1HE LYS 36 1HE LYS 36 10.581 8.334 4.306 253 2HE LYS 36 2HE LYS 36 9.481 7.416 3.305 254 1HZ LYS 36 1HZ LYS 36 12.272 6.570 3.501 255 2HZ LYS 36 2HZ LYS 36 11.029 5.969 4.424 256 3HZ LYS 36 3HZ LYS 36 10.961 5.818 2.816 257 H ILE 37 H ILE 37 6.206 7.725 1.343 258 HA ILE 37 HA ILE 37 4.824 9.277 3.512 259 HB ILE 37 HB ILE 37 3.526 6.824 2.514 260 1HG1 ILE 37 1HG1 ILE 37 3.784 9.211 0.663 261 2HG1 ILE 37 2HG1 ILE 37 4.408 7.569 0.392 262 1HG2 ILE 37 1HG2 ILE 37 1.534 8.161 2.788 263 2HG2 ILE 37 2HG2 ILE 37 2.586 8.457 4.171 264 3HG2 ILE 37 3HG2 ILE 37 2.491 9.658 2.865 265 1HD1 ILE 37 1HD1 ILE 37 2.082 6.695 0.463 266 2HD1 ILE 37 2HD1 ILE 37 1.493 8.377 0.532 267 3HD1 ILE 37 3HD1 ILE 37 2.408 7.820 -0.876 268 H ALA 38 H ALA 38 6.970 6.761 2.870 269 HA ALA 38 HA ALA 38 8.116 5.331 4.100 270 1HB ALA 38 1HB ALA 38 8.211 5.470 6.491 271 2HB ALA 38 2HB ALA 38 8.131 7.111 5.813 272 3HB ALA 38 3HB ALA 38 6.696 6.384 6.572 273 H ILE 39 H ILE 39 4.712 5.374 5.123 274 HA ILE 39 HA ILE 39 3.323 3.825 5.892 275 HB ILE 39 HB ILE 39 4.443 2.519 3.436 276 1HG1 ILE 39 1HG1 ILE 39 3.344 4.771 3.284 277 2HG1 ILE 39 2HG1 ILE 39 2.621 3.489 2.339 278 1HG2 ILE 39 1HG2 ILE 39 2.026 1.704 5.080 279 2HG2 ILE 39 2HG2 ILE 39 2.282 1.206 3.394 280 3HG2 ILE 39 3HG2 ILE 39 3.417 0.697 4.630 281 1HD1 ILE 39 1HD1 ILE 39 1.505 4.627 4.924 282 2HD1 ILE 39 2HD1 ILE 39 0.893 4.878 3.287 283 3HD1 ILE 39 3HD1 ILE 39 0.800 3.269 4.013 284 H ASP 40 H ASP 40 3.571 3.077 7.761 285 HA ASP 40 HA ASP 40 5.205 0.634 8.260 286 1HB ASP 40 1HB ASP 40 5.337 1.155 10.560 287 2HB ASP 40 2HB ASP 40 5.915 2.545 9.698 288 H LYS 41 H LYS 41 4.135 -0.624 9.998 289 HA LYS 41 HA LYS 41 1.680 -1.581 9.429 290 1HB LYS 41 1HB LYS 41 1.610 -2.393 11.830 291 2HB LYS 41 2HB LYS 41 2.953 -2.797 10.779 292 1HG LYS 41 1HG LYS 41 4.337 -1.019 11.925 293 2HG LYS 41 2HG LYS 41 3.051 -0.884 13.127 294 1HD LYS 41 1HD LYS 41 3.599 -2.933 14.077 295 2HD LYS 41 2HD LYS 41 3.896 -3.676 12.519 296 1HE LYS 41 1HE LYS 41 6.099 -2.220 12.444 297 2HE LYS 41 2HE LYS 41 5.818 -2.051 14.190 298 1HZ LYS 41 1HZ LYS 41 6.437 -4.510 12.637 299 2HZ LYS 41 2HZ LYS 41 7.251 -3.858 13.842 300 3HZ LYS 41 3HZ LYS 41 5.815 -4.587 14.157 301 H LYS 42 H LYS 42 2.237 1.008 11.752 302 HA LYS 42 HA LYS 42 -0.430 1.448 12.639 303 1HB LYS 42 1HB LYS 42 1.530 3.670 11.988 304 2HB LYS 42 2HB LYS 42 0.125 3.776 13.035 305 1HG LYS 42 1HG LYS 42 1.177 2.329 14.701 306 2HG LYS 42 2HG LYS 42 2.525 2.022 13.588 307 1HD LYS 42 1HD LYS 42 2.769 4.651 13.522 308 2HD LYS 42 2HD LYS 42 1.754 4.645 14.964 309 1HE LYS 42 1HE LYS 42 4.149 4.782 15.488 310 2HE LYS 42 2HE LYS 42 3.483 3.275 16.141 311 1HZ LYS 42 1HZ LYS 42 4.544 2.069 14.476 312 2HZ LYS 42 2HZ LYS 42 4.691 3.308 13.456 313 3HZ LYS 42 3HZ LYS 42 5.678 3.222 14.792 314 H SER 43 H SER 43 1.293 2.953 9.841 315 HA SER 43 HA SER 43 -1.037 4.327 8.905 316 1HB SER 43 1HB SER 43 1.376 3.509 7.233 317 2HB SER 43 2HB SER 43 0.300 4.900 7.019 318 HG SER 43 HG SER 43 2.152 4.420 9.156 319 H ALA 44 H ALA 44 0.658 1.595 7.469 320 HA ALA 44 HA ALA 44 -0.795 0.773 5.357 321 1HB ALA 44 1HB ALA 44 0.210 -1.381 5.690 322 2HB ALA 44 2HB ALA 44 1.381 -0.118 6.149 323 3HB ALA 44 3HB ALA 44 0.543 -1.033 7.399 324 H HIS 45 H HIS 45 -1.211 -0.557 8.680 325 HA HIS 45 HA HIS 45 -3.428 -2.194 7.794 326 1HB HIS 45 1HB HIS 45 -2.125 -1.741 10.488 327 2HB HIS 45 2HB HIS 45 -3.581 -2.683 10.286 328 HD1 HIS 45 HND HIS 45 -1.991 -4.524 11.443 329 HD2 HIS 45 HD HIS 45 -1.169 -3.526 7.429 330 HE1 HIS 45 HE HIS 45 -0.673 -6.457 10.454 331 H LYS 46 H LYS 46 -3.183 1.078 8.983 332 HA LYS 46 HA LYS 46 -5.858 0.993 10.279 333 1HB LYS 46 1HB LYS 46 -4.060 2.132 11.404 334 2HB LYS 46 2HB LYS 46 -3.825 3.187 9.997 335 1HG LYS 46 1HG LYS 46 -6.611 3.270 10.855 336 2HG LYS 46 2HG LYS 46 -5.537 3.563 12.245 337 1HD LYS 46 1HD LYS 46 -4.261 5.232 10.904 338 2HD LYS 46 2HD LYS 46 -5.369 4.963 9.557 339 1HE LYS 46 1HE LYS 46 -6.073 6.151 12.292 340 2HE LYS 46 2HE LYS 46 -5.897 7.040 10.770 341 1HZ LYS 46 1HZ LYS 46 -7.744 5.675 9.893 342 2HZ LYS 46 2HZ LYS 46 -7.973 5.028 11.347 343 3HZ LYS 46 3HZ LYS 46 -8.198 6.648 11.138 344 H ASP 47 H ASP 47 -4.243 3.125 7.847 345 HA ASP 47 HA ASP 47 -6.448 2.882 6.037 346 1HB ASP 47 1HB ASP 47 -6.202 5.488 7.589 347 2HB ASP 47 2HB ASP 47 -6.939 5.356 6.010 348 H ALA 48 H ALA 48 -4.389 2.065 5.226 349 HA ALA 48 HA ALA 48 -3.806 4.071 3.195 350 1HB ALA 48 1HB ALA 48 -1.797 4.393 4.433 351 2HB ALA 48 2HB ALA 48 -1.544 2.666 4.668 352 3HB ALA 48 3HB ALA 48 -1.384 3.375 3.040 353 H CYS 49 H CYS 49 -2.243 0.911 3.668 354 HA CYS 49 HA CYS 49 -3.250 -0.025 1.128 355 1HB CYS 49 1HB CYS 49 -2.191 -1.805 3.281 356 2HB CYS 49 2HB CYS 49 -2.022 -1.975 1.543 357 H LYS 50 H LYS 50 -3.925 -0.898 4.527 358 HA LYS 50 HA LYS 50 -5.872 -2.891 3.742 359 1HB LYS 50 1HB LYS 50 -4.017 -2.667 5.629 360 2HB LYS 50 2HB LYS 50 -5.359 -2.034 6.581 361 1HG LYS 50 1HG LYS 50 -6.515 -4.184 6.406 362 2HG LYS 50 2HG LYS 50 -5.360 -4.747 5.168 363 1HD LYS 50 1HD LYS 50 -3.491 -4.403 6.799 364 2HD LYS 50 2HD LYS 50 -4.696 -4.032 8.059 365 1HE LYS 50 1HE LYS 50 -5.504 -6.310 8.006 366 2HE LYS 50 2HE LYS 50 -4.563 -6.673 6.550 367 1HZ LYS 50 1HZ LYS 50 -3.398 -5.963 9.166 368 2HZ LYS 50 2HZ LYS 50 -3.464 -7.477 8.530 369 3HZ LYS 50 3HZ LYS 50 -2.523 -6.337 7.837 370 H THR 51 H THR 51 -6.692 -0.344 2.966 371 HA THR 51 HA THR 51 -9.350 -0.300 4.155 372 HB THR 51 HB THR 51 -7.907 1.406 5.414 373 HG1 THR 51 HG1 THR 51 -9.591 2.729 5.641 374 1HG2 THR 51 1HG2 THR 51 -6.808 2.573 3.499 375 2HG2 THR 51 2HG2 THR 51 -8.413 3.090 2.902 376 3HG2 THR 51 3HG2 THR 51 -7.817 3.682 4.431 377 H CYS 52 H CYS 52 -7.119 1.354 1.894 378 HA CYS 52 HA CYS 52 -8.962 1.908 -0.139 379 1HB CYS 52 1HB CYS 52 -6.552 2.661 0.410 380 2HB CYS 52 2HB CYS 52 -6.040 1.275 -0.552 381 H HIS 53 H HIS 53 -6.890 -0.989 0.437 382 HA HIS 53 HA HIS 53 -7.663 -2.374 -1.919 383 1HB HIS 53 1HB HIS 53 -6.728 -3.295 0.810 384 2HB HIS 53 2HB HIS 53 -7.264 -4.439 -0.432 385 HD1 HIS 53 HND HIS 53 -4.648 -5.342 -0.413 386 HD2 HIS 53 HD HIS 53 -5.448 -1.537 -2.032 387 HE1 HIS 53 HE HIS 53 -2.714 -4.733 -1.897 388 H LYS 54 H LYS 54 -9.543 -1.849 1.067 389 HA LYS 54 HA LYS 54 -11.210 -4.174 0.762 390 1HB LYS 54 1HB LYS 54 -11.800 -1.560 2.182 391 2HB LYS 54 2HB LYS 54 -12.746 -3.044 2.290 392 1HG LYS 54 1HG LYS 54 -10.873 -4.281 3.233 393 2HG LYS 54 2HG LYS 54 -9.797 -2.875 3.059 394 1HD LYS 54 1HD LYS 54 -11.214 -1.561 4.566 395 2HD LYS 54 2HD LYS 54 -12.339 -2.913 4.736 396 1HE LYS 54 1HE LYS 54 -11.048 -4.012 6.251 397 2HE LYS 54 2HE LYS 54 -9.551 -3.708 5.363 398 1HZ LYS 54 1HZ LYS 54 -9.667 -2.656 7.563 399 2HZ LYS 54 2HZ LYS 54 -9.293 -1.658 6.334 400 3HZ LYS 54 3HZ LYS 54 -10.814 -1.613 6.999 401 H SER 55 H SER 55 -11.182 -1.001 -0.798 402 HA SER 55 HA SER 55 -13.836 -1.264 -1.949 403 1HB SER 55 1HB SER 55 -11.502 0.501 -2.786 404 2HB SER 55 2HB SER 55 -13.224 0.756 -3.123 405 HG SER 55 HG SER 55 -13.457 0.819 -0.751 406 H ASN 56 H ASN 56 -11.568 -3.466 -2.471 407 HA ASN 56 HA ASN 56 -12.363 -4.027 -5.189 408 1HB ASN 56 1HB ASN 56 -9.914 -3.955 -6.026 409 2HB ASN 56 2HB ASN 56 -10.836 -2.457 -5.996 410 1HD2 ASN 56 1HD2 ASN 56 -10.339 -0.838 -4.492 411 2HD2 ASN 56 2HD2 ASN 56 -8.993 -0.893 -3.371 412 H ASN 57 H ASN 57 -9.475 -4.640 -3.106 413 HA ASN 57 HA ASN 57 -9.660 -7.526 -3.785 414 1HB ASN 57 1HB ASN 57 -7.583 -6.140 -4.130 415 2HB ASN 57 2HB ASN 57 -7.445 -5.987 -2.375 416 1HD2 ASN 57 1HD2 ASN 57 -5.851 -7.361 -4.616 417 2HD2 ASN 57 2HD2 ASN 57 -5.492 -8.957 -4.062 418 H GLY 58 H GLY 58 -10.458 -8.930 -2.278 419 1HA GLY 58 1HA GLY 58 -11.129 -7.933 0.462 420 2HA GLY 58 2HA GLY 58 -11.891 -9.228 -0.437 421 HA PRO 59 HA PRO 59 -7.893 -11.218 1.384 422 1HB PRO 59 1HB PRO 59 -6.584 -9.932 3.404 423 2HB PRO 59 2HB PRO 59 -6.209 -9.636 1.682 424 1HG PRO 59 1HG PRO 59 -8.055 -8.006 3.460 425 2HG PRO 59 2HG PRO 59 -6.707 -7.403 2.447 426 1HD PRO 59 1HD PRO 59 -9.265 -7.359 1.570 427 2HD PRO 59 2HD PRO 59 -7.925 -7.783 0.453 428 H THR 60 H THR 60 -7.737 -12.305 3.603 429 HA THR 60 HA THR 60 -9.924 -11.790 5.484 430 HB THR 60 HB THR 60 -10.126 -13.857 3.295 431 HG1 THR 60 HG1 THR 60 -11.272 -11.734 3.547 432 1HG2 THR 60 1HG2 THR 60 -11.352 -14.159 6.066 433 2HG2 THR 60 2HG2 THR 60 -11.949 -14.969 4.600 434 3HG2 THR 60 3HG2 THR 60 -10.325 -15.326 5.188 435 H LYS 61 H LYS 61 -7.582 -14.290 4.325 436 HA LYS 61 HA LYS 61 -6.517 -14.360 7.135 437 1HB LYS 61 1HB LYS 61 -6.404 -16.556 5.039 438 2HB LYS 61 2HB LYS 61 -5.644 -16.588 6.636 439 1HG LYS 61 1HG LYS 61 -8.632 -16.446 6.079 440 2HG LYS 61 2HG LYS 61 -7.736 -17.887 6.562 441 1HD LYS 61 1HD LYS 61 -7.110 -16.762 8.710 442 2HD LYS 61 2HD LYS 61 -8.108 -15.364 8.249 443 1HE LYS 61 1HE LYS 61 -10.113 -16.826 8.105 444 2HE LYS 61 2HE LYS 61 -9.139 -18.208 8.637 445 1HZ LYS 61 1HZ LYS 61 -10.346 -17.209 10.442 446 2HZ LYS 61 2HZ LYS 61 -8.733 -17.035 10.700 447 3HZ LYS 61 3HZ LYS 61 -9.632 -15.751 10.193 448 H CYS 62 H CYS 62 -5.776 -12.289 6.246 449 HA CYS 62 HA CYS 62 -4.161 -10.943 5.483 450 1HB CYS 62 1HB CYS 62 -2.334 -13.321 5.953 451 2HB CYS 62 2HB CYS 62 -1.906 -11.603 6.062 452 H GLY 63 H GLY 63 -1.673 -12.364 4.109 453 1HA GLY 63 1HA GLY 63 -1.105 -13.359 2.118 454 2HA GLY 63 2HA GLY 63 -2.819 -13.588 1.751 455 H GLY 64 H GLY 64 -3.755 -11.034 1.735 456 1HA GLY 64 1HA GLY 64 -3.640 -10.208 -0.803 457 2HA GLY 64 2HA GLY 64 -3.971 -9.110 0.549 458 H CYS 65 H CYS 65 -1.022 -9.491 1.406 459 HA CYS 65 HA CYS 65 0.171 -7.508 -0.473 460 1HB CYS 65 1HB CYS 65 -0.111 -7.018 2.479 461 2HB CYS 65 2HB CYS 65 0.466 -5.883 1.252 462 H HIS 66 H HIS 66 0.598 -9.188 2.686 463 HA HIS 66 HA HIS 66 3.482 -9.174 2.505 464 1HB HIS 66 1HB HIS 66 1.645 -10.942 4.177 465 2HB HIS 66 2HB HIS 66 3.390 -10.791 4.307 466 HD1 HIS 66 HND HIS 66 4.424 -8.614 5.386 467 HD2 HIS 66 HD HIS 66 0.225 -8.904 5.380 468 HE1 HIS 66 HE HIS 66 3.504 -6.839 7.028 469 H ILE 67 H ILE 67 4.711 -10.471 1.229 470 HA ILE 67 HA ILE 67 3.545 -12.867 -0.031 471 HB ILE 67 HB ILE 67 6.402 -11.849 -0.118 472 1HG1 ILE 67 1HG1 ILE 67 5.054 -10.040 -0.942 473 2HG1 ILE 67 2HG1 ILE 67 5.794 -10.858 -2.309 474 1HG2 ILE 67 1HG2 ILE 67 4.829 -13.773 -1.893 475 2HG2 ILE 67 2HG2 ILE 67 6.450 -13.148 -2.251 476 3HG2 ILE 67 3HG2 ILE 67 6.191 -14.175 -0.838 477 1HD1 ILE 67 1HD1 ILE 67 3.619 -12.037 -2.754 478 2HD1 ILE 67 2HD1 ILE 67 2.886 -11.128 -1.411 479 3HD1 ILE 67 3HD1 ILE 67 3.492 -10.276 -2.832 480 H LYS 68 H LYS 68 2.947 -13.628 2.061 481 HA LYS 68 HA LYS 68 3.063 -15.606 3.227 482 1HB LYS 68 1HB LYS 68 5.388 -16.171 2.291 483 2HB LYS 68 2HB LYS 68 6.048 -15.254 3.657 484 1HG LYS 68 1HG LYS 68 6.123 -17.559 4.188 485 2HG LYS 68 2HG LYS 68 4.902 -16.815 5.228 486 1HD LYS 68 1HD LYS 68 3.099 -17.714 3.823 487 2HD LYS 68 2HD LYS 68 4.280 -18.294 2.624 488 1HE LYS 68 1HE LYS 68 5.229 -19.844 4.339 489 2HE LYS 68 2HE LYS 68 4.054 -19.248 5.525 490 1HZ LYS 68 1HZ LYS 68 2.301 -20.099 4.118 491 2HZ LYS 68 2HZ LYS 68 3.396 -20.654 3.019 492 3HZ LYS 68 3HZ LYS 68 3.346 -21.299 4.528 493 HHA HEC 69 HCM HEC 69 8.577 7.347 -1.623 494 HHB HEC 69 HDM HEC 69 6.564 10.615 -6.652 495 HHC HEC 69 HAM HEC 69 1.386 6.871 -7.007 496 HHD HEC 69 HBM HEC 69 2.820 4.638 -1.170 497 1HMA HEC 69 HM81 HEC 69 8.847 10.690 -6.614 498 2HMA HEC 69 HM82 HEC 69 8.761 11.822 -5.242 499 3HMA HEC 69 HM83 HEC 69 10.099 10.660 -5.381 500 1HAA HEC 69 HP71 HEC 69 10.332 10.399 -3.153 501 2HAA HEC 69 HP72 HEC 69 9.661 9.531 -1.803 502 1HBA HEC 69 HP73 HEC 69 10.618 7.401 -2.743 503 2HBA HEC 69 HP74 HEC 69 11.334 8.358 -4.046 504 1HMB HEC 69 HM11 HEC 69 5.530 11.247 -8.372 505 2HMB HEC 69 HM12 HEC 69 4.697 10.367 -9.647 506 3HMB HEC 69 HM13 HEC 69 3.796 11.466 -8.568 507 HAB HEC 69 HT2A HEC 69 1.236 8.273 -8.561 508 1HBB HEC 69 HT21 HEC 69 1.152 9.382 -10.565 509 2HBB HEC 69 HT22 HEC 69 2.412 10.537 -10.143 510 3HBB HEC 69 HT23 HEC 69 2.832 8.840 -10.490 511 1HMC HEC 69 HM31 HEC 69 -0.995 4.843 -5.008 512 2HMC HEC 69 HM32 HEC 69 -0.655 6.471 -5.580 513 3HMC HEC 69 HM33 HEC 69 -0.081 5.068 -6.500 514 HAC HEC 69 HT4A HEC 69 0.774 4.240 -1.566 515 1HBC HEC 69 HT41 HEC 69 -1.015 3.108 -3.707 516 2HBC HEC 69 HT42 HEC 69 0.629 2.448 -3.490 517 3HBC HEC 69 HT43 HEC 69 -0.532 2.447 -2.156 518 1HMD HEC 69 HM51 HEC 69 4.377 5.072 1.316 519 2HMD HEC 69 HM52 HEC 69 4.149 3.656 0.278 520 3HMD HEC 69 HM53 HEC 69 5.676 3.880 1.132 521 1HAD HEC 69 HP61 HEC 69 8.574 6.234 0.123 522 2HAD HEC 69 HP62 HEC 69 7.423 5.667 1.302 523 1HBD HEC 69 HP63 HEC 69 7.789 3.369 0.547 524 2HBD HEC 69 HP64 HEC 69 8.799 3.962 -0.786 525 HHA HEC 70 HCM HEC 70 -3.170 -5.189 -6.593 526 HHB HEC 70 HDM HEC 70 0.791 -4.186 -1.615 527 HHC HEC 70 HAM HEC 70 -2.135 1.386 -0.568 528 HHD HEC 70 HBM HEC 70 -6.332 0.150 -5.133 529 1HMA HEC 70 HM81 HEC 70 1.479 -6.618 -4.078 530 2HMA HEC 70 HM82 HEC 70 1.191 -6.196 -2.385 531 3HMA HEC 70 HM83 HEC 70 0.231 -7.471 -3.141 532 1HAA HEC 70 HP71 HEC 70 -1.701 -6.953 -6.517 533 2HAA HEC 70 HP72 HEC 70 -0.681 -7.753 -5.333 534 1HBA HEC 70 HP73 HEC 70 -2.570 -7.799 -3.732 535 2HBA HEC 70 HP74 HEC 70 -3.612 -7.045 -4.939 536 1HMB HEC 70 HM11 HEC 70 2.092 -2.843 -0.188 537 2HMB HEC 70 HM12 HEC 70 1.615 -1.850 1.197 538 3HMB HEC 70 HM13 HEC 70 0.789 -3.391 0.902 539 HAB HEC 70 HT2A HEC 70 -0.884 1.107 0.974 540 1HBB HEC 70 HT21 HEC 70 1.339 1.412 -0.149 541 2HBB HEC 70 HT22 HEC 70 1.201 1.865 1.552 542 3HBB HEC 70 HT23 HEC 70 2.011 0.351 1.104 543 1HMC HEC 70 HM31 HEC 70 -4.495 3.939 -2.018 544 2HMC HEC 70 HM32 HEC 70 -4.274 3.064 -0.484 545 3HMC HEC 70 HM33 HEC 70 -2.892 3.402 -1.540 546 HAC HEC 70 HT4A HEC 70 -7.290 1.391 -3.426 547 1HBC HEC 70 HT41 HEC 70 -5.753 3.865 -4.290 548 2HBC HEC 70 HT42 HEC 70 -6.556 2.662 -5.338 549 3HBC HEC 70 HT43 HEC 70 -7.525 3.745 -4.347 550 1HMD HEC 70 HM51 HEC 70 -7.665 -1.262 -6.379 551 2HMD HEC 70 HM52 HEC 70 -6.725 -0.790 -7.814 552 3HMD HEC 70 HM53 HEC 70 -7.422 -2.414 -7.693 553 1HAD HEC 70 HP61 HEC 70 -5.217 -2.978 -8.938 554 2HAD HEC 70 HP62 HEC 70 -4.009 -4.176 -8.532 555 1HBD HEC 70 HP63 HEC 70 -5.653 -5.828 -8.054 556 2HBD HEC 70 HP64 HEC 70 -6.948 -4.629 -7.935 557 HHA HEC 71 HCM HEC 71 3.806 -4.005 8.988 558 HHB HEC 71 HDM HEC 71 1.001 -9.394 10.924 559 HHC HEC 71 HAM HEC 71 -2.983 -9.093 5.944 560 HHD HEC 71 HBM HEC 71 0.186 -4.053 3.745 561 1HMA HEC 71 HM81 HEC 71 4.237 -8.053 12.322 562 2HMA HEC 71 HM82 HEC 71 2.582 -7.964 12.962 563 3HMA HEC 71 HM83 HEC 71 3.064 -9.269 11.853 564 1HAA HEC 71 HP71 HEC 71 4.843 -4.640 10.807 565 2HAA HEC 71 HP72 HEC 71 4.827 -5.938 12.015 566 1HBA HEC 71 HP73 HEC 71 5.511 -7.441 9.990 567 2HBA HEC 71 HP74 HEC 71 5.909 -5.912 9.194 568 1HMB HEC 71 HM11 HEC 71 -1.208 -10.761 11.375 569 2HMB HEC 71 HM12 HEC 71 -1.608 -11.985 10.154 570 3HMB HEC 71 HM13 HEC 71 0.070 -11.527 10.405 571 HAB HEC 71 HT2A HEC 71 -3.993 -10.171 7.553 572 1HBB HEC 71 HT21 HEC 71 -5.158 -10.935 9.476 573 2HBB HEC 71 HT22 HEC 71 -3.682 -10.962 10.450 574 3HBB HEC 71 HT23 HEC 71 -4.326 -9.420 9.854 575 1HMC HEC 71 HM31 HEC 71 -3.216 -8.800 3.580 576 2HMC HEC 71 HM32 HEC 71 -4.466 -7.800 4.349 577 3HMC HEC 71 HM33 HEC 71 -3.821 -7.369 2.753 578 HAC HEC 71 HT4A HEC 71 -1.478 -4.238 2.547 579 1HBC HEC 71 HT41 HEC 71 -3.661 -3.785 3.491 580 2HBC HEC 71 HT42 HEC 71 -3.661 -3.852 1.721 581 3HBC HEC 71 HT43 HEC 71 -4.340 -5.196 2.656 582 1HMD HEC 71 HM51 HEC 71 3.399 -2.642 3.818 583 2HMD HEC 71 HM52 HEC 71 1.669 -2.554 3.444 584 3HMD HEC 71 HM53 HEC 71 2.398 -1.361 4.502 585 1HAD HEC 71 HP61 HEC 71 4.016 -1.411 6.188 586 2HAD HEC 71 HP62 HEC 71 3.496 -1.693 7.832 587 1HBD HEC 71 HP63 HEC 71 5.334 -3.740 7.429 588 2HBD HEC 71 HP64 HEC 71 5.995 -2.399 6.494 Start of MODEL 10 1 1H ALA 1 1H ALA 1 10.893 3.999 -10.325 2 2H ALA 1 2H ALA 1 10.931 5.047 -9.020 3 3H ALA 1 3H ALA 1 10.288 3.506 -8.971 4 HA ALA 1 HA ALA 1 8.462 5.096 -9.064 5 1HB ALA 1 1HB ALA 1 8.212 6.521 -11.060 6 2HB ALA 1 2HB ALA 1 9.672 6.936 -10.143 7 3HB ALA 1 3HB ALA 1 9.806 5.997 -11.646 8 H ASP 2 H ASP 2 8.161 2.715 -9.057 9 HA ASP 2 HA ASP 2 7.354 1.245 -11.429 10 1HB ASP 2 1HB ASP 2 9.578 -0.119 -11.066 11 2HB ASP 2 2HB ASP 2 9.483 1.285 -12.135 12 H VAL 3 H VAL 3 9.299 0.523 -8.496 13 HA VAL 3 HA VAL 3 7.034 -0.745 -7.123 14 HB VAL 3 HB VAL 3 7.573 -2.444 -8.789 15 1HG1 VAL 3 1HG1 VAL 3 9.729 -3.599 -8.830 16 2HG1 VAL 3 2HG1 VAL 3 9.950 -1.890 -9.225 17 3HG1 VAL 3 3HG1 VAL 3 10.386 -2.491 -7.612 18 1HG2 VAL 3 1HG2 VAL 3 6.854 -3.163 -6.521 19 2HG2 VAL 3 2HG2 VAL 3 7.879 -4.347 -7.338 20 3HG2 VAL 3 3HG2 VAL 3 8.559 -3.339 -6.052 21 H VAL 4 H VAL 4 7.431 -1.193 -4.921 22 HA VAL 4 HA VAL 4 10.152 -0.581 -3.874 23 HB VAL 4 HB VAL 4 7.491 0.440 -2.862 24 1HG1 VAL 4 1HG1 VAL 4 8.820 -0.211 -0.892 25 2HG1 VAL 4 2HG1 VAL 4 10.269 0.548 -1.578 26 3HG1 VAL 4 3HG1 VAL 4 8.901 1.540 -1.051 27 1HG2 VAL 4 1HG2 VAL 4 9.989 1.908 -3.771 28 2HG2 VAL 4 2HG2 VAL 4 8.446 1.821 -4.651 29 3HG2 VAL 4 3HG2 VAL 4 8.526 2.660 -3.094 30 H THR 5 H THR 5 10.421 -1.646 -1.756 31 HA THR 5 HA THR 5 8.150 -3.116 -0.896 32 HB THR 5 HB THR 5 9.501 -4.930 -2.000 33 HG1 THR 5 HG1 THR 5 8.478 -4.997 0.235 34 1HG2 THR 5 1HG2 THR 5 11.771 -3.933 -1.806 35 2HG2 THR 5 2HG2 THR 5 11.733 -4.204 -0.049 36 3HG2 THR 5 3HG2 THR 5 11.703 -5.583 -1.159 37 H TYR 6 H TYR 6 7.977 -3.228 1.300 38 HA TYR 6 HA TYR 6 9.533 -1.207 2.734 39 1HB TYR 6 1HB TYR 6 7.416 -3.110 3.689 40 2HB TYR 6 2HB TYR 6 8.184 -1.890 4.701 41 HD1 TYR 6 HD1 TYR 6 5.410 -2.538 2.665 42 HD2 TYR 6 HD2 TYR 6 8.198 0.600 3.563 43 HE1 TYR 6 HE1 TYR 6 3.829 -0.899 1.759 44 HE2 TYR 6 HE2 TYR 6 6.675 2.225 2.484 45 HH TYR 6 HH TYR 6 3.867 1.215 0.780 46 H GLU 7 H GLU 7 9.154 -4.716 2.793 47 HA GLU 7 HA GLU 7 10.423 -6.421 3.570 48 1HB GLU 7 1HB GLU 7 12.390 -4.904 2.991 49 2HB GLU 7 2HB GLU 7 12.438 -4.576 4.743 50 1HG GLU 7 1HG GLU 7 12.821 -7.285 3.431 51 2HG GLU 7 2HG GLU 7 14.106 -6.217 3.973 52 H ASN 8 H ASN 8 10.518 -7.480 5.631 53 HA ASN 8 HA ASN 8 10.037 -6.417 8.140 54 1HB ASN 8 1HB ASN 8 7.650 -6.634 8.489 55 2HB ASN 8 2HB ASN 8 7.915 -5.463 7.217 56 1HD2 ASN 8 1HD2 ASN 8 6.743 -5.884 5.280 57 2HD2 ASN 8 2HD2 ASN 8 6.304 -7.510 4.724 58 H LYS 9 H LYS 9 8.823 -8.225 9.600 59 HA LYS 9 HA LYS 9 10.384 -10.604 8.798 60 1HB LYS 9 1HB LYS 9 10.793 -9.347 10.954 61 2HB LYS 9 2HB LYS 9 9.205 -9.838 11.494 62 1HG LYS 9 1HG LYS 9 10.999 -11.224 12.445 63 2HG LYS 9 2HG LYS 9 9.851 -12.185 11.524 64 1HD LYS 9 1HD LYS 9 12.164 -12.902 11.155 65 2HD LYS 9 2HD LYS 9 11.400 -12.385 9.654 66 1HE LYS 9 1HE LYS 9 12.568 -10.151 9.852 67 2HE LYS 9 2HE LYS 9 13.309 -10.697 11.367 68 1HZ LYS 9 1HZ LYS 9 14.430 -12.408 10.075 69 2HZ LYS 9 2HZ LYS 9 13.724 -11.857 8.689 70 3HZ LYS 9 3HZ LYS 9 14.776 -10.903 9.507 71 H LYS 10 H LYS 10 7.169 -9.608 8.571 72 HA LYS 10 HA LYS 10 5.942 -12.236 9.190 73 1HB LYS 10 1HB LYS 10 4.741 -10.001 7.556 74 2HB LYS 10 2HB LYS 10 3.903 -11.277 8.419 75 1HG LYS 10 1HG LYS 10 5.403 -8.929 9.677 76 2HG LYS 10 2HG LYS 10 3.704 -9.000 9.371 77 1HD LYS 10 1HD LYS 10 3.830 -9.519 11.617 78 2HD LYS 10 2HD LYS 10 3.509 -11.047 10.828 79 1HE LYS 10 1HE LYS 10 5.040 -11.265 12.709 80 2HE LYS 10 2HE LYS 10 5.863 -11.754 11.237 81 1HZ LYS 10 1HZ LYS 10 6.935 -9.504 11.246 82 2HZ LYS 10 2HZ LYS 10 6.179 -9.121 12.561 83 3HZ LYS 10 3HZ LYS 10 7.266 -10.352 12.623 84 H GLY 11 H GLY 11 6.759 -10.228 6.431 85 1HA GLY 11 1HA GLY 11 7.617 -12.063 4.516 86 2HA GLY 11 2HA GLY 11 5.842 -11.947 4.379 87 H ASN 12 H ASN 12 8.659 -10.537 3.356 88 HA ASN 12 HA ASN 12 8.631 -7.733 3.511 89 1HB ASN 12 1HB ASN 12 9.278 -9.492 1.154 90 2HB ASN 12 2HB ASN 12 9.676 -7.786 1.300 91 1HD2 ASN 12 1HD2 ASN 12 9.933 -9.093 4.434 92 2HD2 ASN 12 2HD2 ASN 12 11.660 -9.062 4.458 93 H VAL 13 H VAL 13 7.038 -6.349 3.027 94 HA VAL 13 HA VAL 13 4.831 -7.052 1.185 95 HB VAL 13 HB VAL 13 5.438 -4.658 2.920 96 1HG1 VAL 13 1HG1 VAL 13 3.101 -3.909 2.158 97 2HG1 VAL 13 2HG1 VAL 13 4.381 -3.700 0.962 98 3HG1 VAL 13 3HG1 VAL 13 3.253 -5.070 0.830 99 1HG2 VAL 13 1HG2 VAL 13 3.117 -6.624 2.951 100 2HG2 VAL 13 2HG2 VAL 13 4.541 -6.701 4.001 101 3HG2 VAL 13 3HG2 VAL 13 3.447 -5.324 4.118 102 H THR 14 H THR 14 5.572 -7.129 -0.847 103 HA THR 14 HA THR 14 7.147 -4.908 -1.999 104 HB THR 14 HB THR 14 7.582 -7.210 -2.766 105 HG1 THR 14 HG1 THR 14 7.820 -5.344 -4.143 106 1HG2 THR 14 1HG2 THR 14 4.773 -7.130 -3.964 107 2HG2 THR 14 2HG2 THR 14 6.000 -8.378 -4.220 108 3HG2 THR 14 3HG2 THR 14 5.280 -8.173 -2.618 109 H PHE 15 H PHE 15 6.187 -3.397 -3.483 110 HA PHE 15 HA PHE 15 3.356 -3.642 -4.076 111 1HB PHE 15 1HB PHE 15 2.664 -1.519 -3.123 112 2HB PHE 15 2HB PHE 15 3.166 -2.655 -1.889 113 HD1 PHE 15 HD1 PHE 15 3.569 0.677 -3.153 114 HD2 PHE 15 HD2 PHE 15 5.510 -2.430 -0.863 115 HE1 PHE 15 HE1 PHE 15 4.908 2.386 -1.943 116 HE2 PHE 15 HE2 PHE 15 6.878 -0.720 0.279 117 HZ PHE 15 HZ PHE 15 6.550 1.665 -0.216 118 H ASP 16 H ASP 16 3.310 -3.274 -6.166 119 HA ASP 16 HA ASP 16 5.122 -1.870 -7.720 120 1HB ASP 16 1HB ASP 16 2.157 -2.362 -8.111 121 2HB ASP 16 2HB ASP 16 3.318 -1.871 -9.383 122 H HIS 17 H HIS 17 5.514 0.243 -7.905 123 HA HIS 17 HA HIS 17 3.905 2.286 -6.538 124 1HB HIS 17 1HB HIS 17 6.607 1.967 -7.044 125 2HB HIS 17 2HB HIS 17 6.156 3.015 -8.388 126 HD1 HIS 17 HND HIS 17 7.917 3.633 -5.640 127 HD2 HIS 17 HD HIS 17 4.068 4.923 -6.761 128 HE1 HIS 17 HE HIS 17 7.459 5.755 -4.357 129 H LYS 18 H LYS 18 5.169 1.513 -9.766 130 HA LYS 18 HA LYS 18 3.814 3.502 -11.225 131 1HB LYS 18 1HB LYS 18 5.740 2.502 -12.115 132 2HB LYS 18 2HB LYS 18 5.089 0.856 -12.015 133 1HG LYS 18 1HG LYS 18 3.591 1.226 -13.836 134 2HG LYS 18 2HG LYS 18 3.785 2.994 -13.732 135 1HD LYS 18 1HD LYS 18 6.100 2.860 -14.462 136 2HD LYS 18 2HD LYS 18 6.108 1.106 -14.291 137 1HE LYS 18 1HE LYS 18 5.965 1.919 -16.686 138 2HE LYS 18 2HE LYS 18 4.717 0.760 -16.203 139 1HZ LYS 18 1HZ LYS 18 3.853 2.627 -17.474 140 2HZ LYS 18 2HZ LYS 18 3.140 2.443 -16.041 141 3HZ LYS 18 3HZ LYS 18 4.237 3.666 -16.250 142 H ALA 19 H ALA 19 3.038 -0.020 -11.032 143 HA ALA 19 HA ALA 19 0.668 -0.114 -12.378 144 1HB ALA 19 1HB ALA 19 1.082 -1.322 -9.663 145 2HB ALA 19 2HB ALA 19 -0.025 -1.925 -10.905 146 3HB ALA 19 3HB ALA 19 1.738 -2.031 -11.172 147 H HIS 20 H HIS 20 0.822 0.632 -8.823 148 HA HIS 20 HA HIS 20 -1.968 1.190 -8.574 149 1HB HIS 20 1HB HIS 20 0.508 2.013 -6.981 150 2HB HIS 20 2HB HIS 20 -1.087 2.579 -6.550 151 HD1 HIS 20 HND HIS 20 0.952 -0.645 -6.554 152 HD2 HIS 20 HD HIS 20 -2.631 0.969 -5.086 153 HE1 HIS 20 HE HIS 20 0.009 -2.328 -4.900 154 H ALA 21 H ALA 21 0.857 3.140 -9.486 155 HA ALA 21 HA ALA 21 -0.471 5.692 -9.385 156 1HB ALA 21 1HB ALA 21 1.904 4.983 -11.146 157 2HB ALA 21 2HB ALA 21 1.376 6.579 -10.605 158 3HB ALA 21 3HB ALA 21 1.999 5.397 -9.429 159 H GLU 22 H GLU 22 0.046 3.516 -12.180 160 HA GLU 22 HA GLU 22 -1.353 5.278 -14.040 161 1HB GLU 22 1HB GLU 22 -1.547 2.824 -15.273 162 2HB GLU 22 2HB GLU 22 -0.209 3.964 -15.469 163 1HG GLU 22 1HG GLU 22 1.088 2.830 -13.819 164 2HG GLU 22 2HG GLU 22 -0.249 1.734 -13.416 165 H LYS 23 H LYS 23 -2.215 2.281 -12.298 166 HA LYS 23 HA LYS 23 -4.822 2.112 -13.463 167 1HB LYS 23 1HB LYS 23 -3.642 0.895 -10.941 168 2HB LYS 23 2HB LYS 23 -5.351 0.764 -11.334 169 1HG LYS 23 1HG LYS 23 -4.476 -1.172 -12.203 170 2HG LYS 23 2HG LYS 23 -4.722 -0.135 -13.625 171 1HD LYS 23 1HD LYS 23 -2.238 0.421 -13.501 172 2HD LYS 23 2HD LYS 23 -2.154 -0.762 -12.165 173 1HE LYS 23 1HE LYS 23 -2.989 -2.530 -13.717 174 2HE LYS 23 2HE LYS 23 -2.977 -1.347 -15.040 175 1HZ LYS 23 1HZ LYS 23 -0.978 -2.659 -15.017 176 2HZ LYS 23 2HZ LYS 23 -0.610 -1.091 -14.700 177 3HZ LYS 23 3HZ LYS 23 -0.638 -2.198 -13.474 178 H LEU 24 H LEU 24 -3.680 3.754 -10.497 179 HA LEU 24 HA LEU 24 -6.473 4.517 -9.861 180 1HB LEU 24 1HB LEU 24 -4.001 4.913 -8.180 181 2HB LEU 24 2HB LEU 24 -5.694 4.926 -7.678 182 HG LEU 24 HG LEU 24 -4.375 2.408 -8.827 183 1HD1 LEU 24 1HD1 LEU 24 -4.067 1.630 -6.602 184 2HD1 LEU 24 2HD1 LEU 24 -3.132 3.119 -6.867 185 3HD1 LEU 24 3HD1 LEU 24 -4.598 3.180 -5.912 186 1HD2 LEU 24 1HD2 LEU 24 -6.885 2.854 -7.185 187 2HD2 LEU 24 2HD2 LEU 24 -6.814 2.406 -8.907 188 3HD2 LEU 24 3HD2 LEU 24 -6.197 1.292 -7.678 189 H GLY 25 H GLY 25 -3.208 6.114 -10.276 190 1HA GLY 25 1HA GLY 25 -3.608 8.093 -11.813 191 2HA GLY 25 2HA GLY 25 -4.531 8.770 -10.454 192 H CYS 26 H CYS 26 -3.466 8.882 -8.404 193 HA CYS 26 HA CYS 26 -0.752 8.573 -7.773 194 1HB CYS 26 1HB CYS 26 -0.624 10.494 -9.705 195 2HB CYS 26 2HB CYS 26 -1.131 11.508 -8.380 196 H ASP 27 H ASP 27 -3.395 10.704 -7.750 197 HA ASP 27 HA ASP 27 -3.744 12.018 -5.341 198 1HB ASP 27 1HB ASP 27 -6.137 11.701 -5.938 199 2HB ASP 27 2HB ASP 27 -5.177 12.231 -7.322 200 H ALA 28 H ALA 28 -4.525 8.740 -6.304 201 HA ALA 28 HA ALA 28 -5.608 7.389 -4.323 202 1HB ALA 28 1HB ALA 28 -4.070 5.480 -4.922 203 2HB ALA 28 2HB ALA 28 -4.687 6.383 -6.327 204 3HB ALA 28 3HB ALA 28 -3.030 6.643 -5.761 205 H CYS 29 H CYS 29 -2.177 8.348 -4.216 206 HA CYS 29 HA CYS 29 -2.090 7.764 -1.268 207 1HB CYS 29 1HB CYS 29 0.079 7.255 -3.268 208 2HB CYS 29 2HB CYS 29 0.089 6.823 -1.548 209 H HIS 30 H HIS 30 -1.210 10.018 -3.876 210 HA HIS 30 HA HIS 30 0.153 11.762 -1.871 211 1HB HIS 30 1HB HIS 30 1.008 11.254 -4.742 212 2HB HIS 30 2HB HIS 30 1.774 12.348 -3.604 213 HD1 HIS 30 HND HIS 30 3.231 11.115 -1.638 214 HD2 HIS 30 HD HIS 30 2.002 8.960 -4.991 215 HE1 HIS 30 HE HIS 30 4.966 9.196 -2.026 216 H GLU 31 H GLU 31 -1.003 13.663 -1.820 217 HA GLU 31 HA GLU 31 -2.017 14.771 -4.399 218 1HB GLU 31 1HB GLU 31 -3.122 16.279 -2.404 219 2HB GLU 31 2HB GLU 31 -3.870 15.114 -3.488 220 1HG GLU 31 1HG GLU 31 -4.542 14.568 -1.427 221 2HG GLU 31 2HG GLU 31 -3.422 13.281 -1.789 222 H GLY 32 H GLY 32 -0.798 15.767 -1.189 223 1HA GLY 32 1HA GLY 32 0.167 18.338 -2.202 224 2HA GLY 32 2HA GLY 32 0.201 17.744 -0.537 225 H THR 33 H THR 33 1.616 16.704 -3.635 226 HA THR 33 HA THR 33 3.689 16.488 -4.391 227 HB THR 33 HB THR 33 4.744 17.834 -1.881 228 HG1 THR 33 HG1 THR 33 4.383 19.708 -3.006 229 1HG2 THR 33 1HG2 THR 33 6.508 16.795 -3.268 230 2HG2 THR 33 2HG2 THR 33 5.865 17.621 -4.706 231 3HG2 THR 33 3HG2 THR 33 6.560 18.560 -3.371 232 HA PRO 34 HA PRO 34 4.765 12.615 -2.196 233 1HB PRO 34 1HB PRO 34 6.348 11.500 -4.019 234 2HB PRO 34 2HB PRO 34 4.569 11.479 -4.185 235 1HG PRO 34 1HG PRO 34 6.478 13.302 -5.590 236 2HG PRO 34 2HG PRO 34 5.004 12.484 -6.214 237 1HD PRO 34 1HD PRO 34 5.070 15.112 -5.412 238 2HD PRO 34 2HD PRO 34 3.597 14.102 -5.271 239 H ALA 35 H ALA 35 6.378 12.531 -0.682 240 HA ALA 35 HA ALA 35 9.161 13.034 -1.400 241 1HB ALA 35 1HB ALA 35 9.498 14.739 0.368 242 2HB ALA 35 2HB ALA 35 8.419 15.335 -0.905 243 3HB ALA 35 3HB ALA 35 7.744 14.801 0.648 244 H LYS 36 H LYS 36 8.446 10.700 -0.971 245 HA LYS 36 HA LYS 36 8.559 8.810 0.238 246 1HB LYS 36 1HB LYS 36 9.834 10.556 2.387 247 2HB LYS 36 2HB LYS 36 9.473 8.868 2.636 248 1HG LYS 36 1HG LYS 36 10.960 9.585 0.119 249 2HG LYS 36 2HG LYS 36 11.845 9.719 1.633 250 1HD LYS 36 1HD LYS 36 10.244 7.234 0.941 251 2HD LYS 36 2HD LYS 36 11.911 7.429 0.410 252 1HE LYS 36 1HE LYS 36 12.814 7.310 2.506 253 2HE LYS 36 2HE LYS 36 11.393 7.947 3.336 254 1HZ LYS 36 1HZ LYS 36 11.724 5.543 3.744 255 2HZ LYS 36 2HZ LYS 36 10.268 5.910 3.038 256 3HZ LYS 36 3HZ LYS 36 11.359 5.237 2.147 257 H ILE 37 H ILE 37 7.517 7.643 2.070 258 HA ILE 37 HA ILE 37 5.496 9.215 3.540 259 HB ILE 37 HB ILE 37 4.564 6.590 2.364 260 1HG1 ILE 37 1HG1 ILE 37 4.289 9.333 1.100 261 2HG1 ILE 37 2HG1 ILE 37 5.001 7.847 0.436 262 1HG2 ILE 37 1HG2 ILE 37 3.056 9.010 3.440 263 2HG2 ILE 37 2HG2 ILE 37 2.366 7.427 3.022 264 3HG2 ILE 37 3HG2 ILE 37 3.451 7.570 4.398 265 1HD1 ILE 37 1HD1 ILE 37 2.620 6.838 0.619 266 2HD1 ILE 37 2HD1 ILE 37 2.063 8.485 0.967 267 3HD1 ILE 37 3HD1 ILE 37 2.822 8.114 -0.580 268 H ALA 38 H ALA 38 6.893 6.054 3.011 269 HA ALA 38 HA ALA 38 7.615 4.393 4.374 270 1HB ALA 38 1HB ALA 38 8.571 4.909 6.531 271 2HB ALA 38 2HB ALA 38 9.043 6.155 5.352 272 3HB ALA 38 3HB ALA 38 7.792 6.497 6.571 273 H ILE 39 H ILE 39 5.326 3.753 3.924 274 HA ILE 39 HA ILE 39 3.376 4.114 6.012 275 HB ILE 39 HB ILE 39 3.293 2.022 3.838 276 1HG1 ILE 39 1HG1 ILE 39 3.025 5.014 3.739 277 2HG1 ILE 39 2HG1 ILE 39 3.603 3.862 2.563 278 1HG2 ILE 39 1HG2 ILE 39 0.955 2.048 4.166 279 2HG2 ILE 39 2HG2 ILE 39 1.695 1.907 5.760 280 3HG2 ILE 39 3HG2 ILE 39 1.036 3.468 5.244 281 1HD1 ILE 39 1HD1 ILE 39 0.713 4.519 3.263 282 2HD1 ILE 39 2HD1 ILE 39 1.559 4.941 1.777 283 3HD1 ILE 39 3HD1 ILE 39 1.178 3.247 2.108 284 H ASP 40 H ASP 40 3.560 3.232 7.877 285 HA ASP 40 HA ASP 40 5.361 0.937 8.457 286 1HB ASP 40 1HB ASP 40 5.848 2.859 9.812 287 2HB ASP 40 2HB ASP 40 4.119 3.180 10.088 288 H LYS 41 H LYS 41 4.471 -0.357 10.301 289 HA LYS 41 HA LYS 41 2.169 -1.875 9.695 290 1HB LYS 41 1HB LYS 41 3.944 -2.484 11.281 291 2HB LYS 41 2HB LYS 41 3.399 -1.285 12.443 292 1HG LYS 41 1HG LYS 41 1.450 -3.342 11.378 293 2HG LYS 41 2HG LYS 41 2.669 -3.836 12.571 294 1HD LYS 41 1HD LYS 41 1.829 -2.462 14.276 295 2HD LYS 41 2HD LYS 41 0.942 -1.420 13.178 296 1HE LYS 41 1HE LYS 41 -0.587 -2.878 14.429 297 2HE LYS 41 2HE LYS 41 -0.705 -3.095 12.679 298 1HZ LYS 41 1HZ LYS 41 -0.695 -5.182 13.843 299 2HZ LYS 41 2HZ LYS 41 0.617 -5.065 12.862 300 3HZ LYS 41 3HZ LYS 41 0.783 -4.871 14.494 301 H LYS 42 H LYS 42 2.534 1.015 11.848 302 HA LYS 42 HA LYS 42 -0.151 1.101 12.752 303 1HB LYS 42 1HB LYS 42 1.876 3.330 12.282 304 2HB LYS 42 2HB LYS 42 0.298 3.566 13.044 305 1HG LYS 42 1HG LYS 42 0.819 1.932 14.779 306 2HG LYS 42 2HG LYS 42 2.424 1.639 14.114 307 1HD LYS 42 1HD LYS 42 1.644 4.494 14.808 308 2HD LYS 42 2HD LYS 42 1.911 3.365 16.131 309 1HE LYS 42 1HE LYS 42 3.962 4.614 15.654 310 2HE LYS 42 2HE LYS 42 4.172 2.872 15.421 311 1HZ LYS 42 1HZ LYS 42 5.179 4.088 13.641 312 2HZ LYS 42 2HZ LYS 42 3.947 3.187 13.083 313 3HZ LYS 42 3HZ LYS 42 3.751 4.811 13.235 314 H SER 43 H SER 43 1.195 3.257 10.161 315 HA SER 43 HA SER 43 -1.195 4.208 9.238 316 1HB SER 43 1HB SER 43 1.230 3.653 7.501 317 2HB SER 43 2HB SER 43 0.105 5.027 7.417 318 HG SER 43 HG SER 43 2.026 5.611 8.511 319 H ALA 44 H ALA 44 0.653 1.485 7.873 320 HA ALA 44 HA ALA 44 -0.881 0.667 5.729 321 1HB ALA 44 1HB ALA 44 0.245 -1.445 6.016 322 2HB ALA 44 2HB ALA 44 1.397 -0.134 6.419 323 3HB ALA 44 3HB ALA 44 0.635 -1.068 7.711 324 H HIS 45 H HIS 45 -1.148 -0.459 9.126 325 HA HIS 45 HA HIS 45 -3.671 -1.880 8.486 326 1HB HIS 45 1HB HIS 45 -1.771 -1.930 10.847 327 2HB HIS 45 2HB HIS 45 -3.361 -2.654 10.882 328 HD1 HIS 45 HND HIS 45 -3.827 -4.817 9.704 329 HD2 HIS 45 HD HIS 45 0.030 -3.284 8.980 330 HE1 HIS 45 HE HIS 45 -2.534 -6.630 8.520 331 H LYS 46 H LYS 46 -3.471 1.124 8.477 332 HA LYS 46 HA LYS 46 -5.826 1.576 10.254 333 1HB LYS 46 1HB LYS 46 -3.846 2.225 11.474 334 2HB LYS 46 2HB LYS 46 -3.325 3.264 10.152 335 1HG LYS 46 1HG LYS 46 -6.046 3.927 11.067 336 2HG LYS 46 2HG LYS 46 -4.877 3.918 12.411 337 1HD LYS 46 1HD LYS 46 -3.320 5.317 10.979 338 2HD LYS 46 2HD LYS 46 -4.629 5.436 9.803 339 1HE LYS 46 1HE LYS 46 -4.624 6.481 12.692 340 2HE LYS 46 2HE LYS 46 -4.468 7.454 11.221 341 1HZ LYS 46 1HZ LYS 46 -6.855 5.910 11.981 342 2HZ LYS 46 2HZ LYS 46 -6.707 7.557 11.982 343 3HZ LYS 46 3HZ LYS 46 -6.661 6.702 10.577 344 H ASP 47 H ASP 47 -3.817 3.602 8.087 345 HA ASP 47 HA ASP 47 -6.133 4.019 6.300 346 1HB ASP 47 1HB ASP 47 -4.862 6.314 7.783 347 2HB ASP 47 2HB ASP 47 -5.766 6.458 6.280 348 H ALA 48 H ALA 48 -4.589 2.485 5.334 349 HA ALA 48 HA ALA 48 -3.454 3.920 3.150 350 1HB ALA 48 1HB ALA 48 -1.144 2.832 3.283 351 2HB ALA 48 2HB ALA 48 -1.446 4.200 4.367 352 3HB ALA 48 3HB ALA 48 -1.477 2.566 5.016 353 H CYS 49 H CYS 49 -2.283 0.697 4.150 354 HA CYS 49 HA CYS 49 -3.266 -0.259 1.588 355 1HB CYS 49 1HB CYS 49 -2.040 -1.995 3.643 356 2HB CYS 49 2HB CYS 49 -1.975 -2.148 1.897 357 H LYS 50 H LYS 50 -3.923 -1.261 5.036 358 HA LYS 50 HA LYS 50 -6.232 -2.888 4.145 359 1HB LYS 50 1HB LYS 50 -5.225 -2.155 6.901 360 2HB LYS 50 2HB LYS 50 -6.590 -3.224 6.608 361 1HG LYS 50 1HG LYS 50 -3.808 -3.809 5.552 362 2HG LYS 50 2HG LYS 50 -4.320 -4.297 7.145 363 1HD LYS 50 1HD LYS 50 -5.880 -5.147 4.670 364 2HD LYS 50 2HD LYS 50 -4.480 -6.033 5.282 365 1HE LYS 50 1HE LYS 50 -5.591 -6.368 7.473 366 2HE LYS 50 2HE LYS 50 -7.022 -5.511 6.882 367 1HZ LYS 50 1HZ LYS 50 -7.224 -7.316 5.183 368 2HZ LYS 50 2HZ LYS 50 -6.014 -8.143 5.933 369 3HZ LYS 50 3HZ LYS 50 -7.401 -7.831 6.702 370 H THR 51 H THR 51 -6.578 -0.487 3.124 371 HA THR 51 HA THR 51 -8.798 0.761 4.641 372 HB THR 51 HB THR 51 -6.634 2.444 3.367 373 HG1 THR 51 HG1 THR 51 -6.837 1.958 6.147 374 1HG2 THR 51 1HG2 THR 51 -8.913 3.428 3.762 375 2HG2 THR 51 2HG2 THR 51 -8.702 3.117 5.499 376 3HG2 THR 51 3HG2 THR 51 -7.619 4.231 4.647 377 H CYS 52 H CYS 52 -6.862 1.175 1.611 378 HA CYS 52 HA CYS 52 -9.129 1.578 -0.062 379 1HB CYS 52 1HB CYS 52 -6.250 0.788 -0.432 380 2HB CYS 52 2HB CYS 52 -7.387 0.456 -1.739 381 H HIS 53 H HIS 53 -7.095 -1.365 0.323 382 HA HIS 53 HA HIS 53 -8.367 -2.725 -1.701 383 1HB HIS 53 1HB HIS 53 -7.009 -3.910 0.734 384 2HB HIS 53 2HB HIS 53 -7.424 -4.790 -0.740 385 HD1 HIS 53 HND HIS 53 -4.641 -5.122 -0.050 386 HD2 HIS 53 HD HIS 53 -5.939 -1.837 -2.363 387 HE1 HIS 53 HE HIS 53 -2.659 -4.276 -1.369 388 H LYS 54 H LYS 54 -9.674 -2.300 1.484 389 HA LYS 54 HA LYS 54 -11.394 -4.611 1.645 390 1HB LYS 54 1HB LYS 54 -11.608 -1.784 2.758 391 2HB LYS 54 2HB LYS 54 -12.746 -3.081 3.142 392 1HG LYS 54 1HG LYS 54 -11.349 -4.057 4.629 393 2HG LYS 54 2HG LYS 54 -10.013 -4.040 3.485 394 1HD LYS 54 1HD LYS 54 -9.234 -2.784 5.261 395 2HD LYS 54 2HD LYS 54 -9.661 -1.590 4.019 396 1HE LYS 54 1HE LYS 54 -11.862 -1.228 5.278 397 2HE LYS 54 2HE LYS 54 -11.262 -2.351 6.511 398 1HZ LYS 54 1HZ LYS 54 -10.670 -0.306 7.337 399 2HZ LYS 54 2HZ LYS 54 -9.266 -0.733 6.564 400 3HZ LYS 54 3HZ LYS 54 -10.309 0.327 5.871 401 H SER 55 H SER 55 -11.654 -1.421 0.017 402 HA SER 55 HA SER 55 -14.390 -1.955 -0.902 403 1HB SER 55 1HB SER 55 -12.394 0.218 -1.646 404 2HB SER 55 2HB SER 55 -14.135 0.213 -1.991 405 HG SER 55 HG SER 55 -13.522 1.405 -0.061 406 H ASN 56 H ASN 56 -12.826 -4.123 -1.675 407 HA ASN 56 HA ASN 56 -13.027 -4.182 -4.528 408 1HB ASN 56 1HB ASN 56 -10.307 -3.697 -3.258 409 2HB ASN 56 2HB ASN 56 -10.410 -4.843 -4.586 410 1HD2 ASN 56 1HD2 ASN 56 -9.802 -1.626 -3.973 411 2HD2 ASN 56 2HD2 ASN 56 -10.193 -1.021 -5.575 412 H ASN 57 H ASN 57 -12.242 -6.353 -5.277 413 HA ASN 57 HA ASN 57 -12.533 -8.487 -3.233 414 1HB ASN 57 1HB ASN 57 -12.044 -8.468 -6.239 415 2HB ASN 57 2HB ASN 57 -11.845 -9.924 -5.262 416 1HD2 ASN 57 1HD2 ASN 57 -13.711 -10.853 -4.146 417 2HD2 ASN 57 2HD2 ASN 57 -15.321 -10.457 -4.720 418 H GLY 58 H GLY 58 -10.709 -9.457 -2.254 419 1HA GLY 58 1HA GLY 58 -8.065 -9.414 -3.176 420 2HA GLY 58 2HA GLY 58 -8.357 -7.901 -2.288 421 HA PRO 59 HA PRO 59 -7.192 -11.320 0.679 422 1HB PRO 59 1HB PRO 59 -5.547 -9.919 2.328 423 2HB PRO 59 2HB PRO 59 -5.047 -10.497 0.712 424 1HG PRO 59 1HG PRO 59 -6.115 -7.735 1.428 425 2HG PRO 59 2HG PRO 59 -4.601 -8.084 0.553 426 1HD PRO 59 1HD PRO 59 -6.857 -7.488 -0.763 427 2HD PRO 59 2HD PRO 59 -5.794 -8.782 -1.396 428 H THR 60 H THR 60 -8.370 -11.897 2.392 429 HA THR 60 HA THR 60 -10.348 -10.088 3.534 430 HB THR 60 HB THR 60 -10.797 -12.333 4.768 431 HG1 THR 60 HG1 THR 60 -9.635 -14.041 3.348 432 1HG2 THR 60 1HG2 THR 60 -12.035 -11.709 2.701 433 2HG2 THR 60 2HG2 THR 60 -10.744 -12.414 1.707 434 3HG2 THR 60 3HG2 THR 60 -11.719 -13.450 2.769 435 H LYS 61 H LYS 61 -8.078 -12.368 4.898 436 HA LYS 61 HA LYS 61 -7.507 -10.604 7.233 437 1HB LYS 61 1HB LYS 61 -6.941 -13.560 6.763 438 2HB LYS 61 2HB LYS 61 -6.534 -12.640 8.229 439 1HG LYS 61 1HG LYS 61 -8.939 -12.070 8.526 440 2HG LYS 61 2HG LYS 61 -9.341 -13.001 7.071 441 1HD LYS 61 1HD LYS 61 -8.477 -15.060 8.125 442 2HD LYS 61 2HD LYS 61 -8.077 -14.143 9.595 443 1HE LYS 61 1HE LYS 61 -10.477 -13.530 9.876 444 2HE LYS 61 2HE LYS 61 -10.888 -14.407 8.394 445 1HZ LYS 61 1HZ LYS 61 -10.185 -16.435 9.464 446 2HZ LYS 61 2HZ LYS 61 -9.793 -15.625 10.844 447 3HZ LYS 61 3HZ LYS 61 -11.355 -15.692 10.343 448 H CYS 62 H CYS 62 -5.282 -12.937 5.700 449 HA CYS 62 HA CYS 62 -3.343 -10.741 5.328 450 1HB CYS 62 1HB CYS 62 -2.461 -13.397 6.370 451 2HB CYS 62 2HB CYS 62 -1.652 -11.822 6.483 452 H GLY 63 H GLY 63 -1.169 -12.322 4.549 453 1HA GLY 63 1HA GLY 63 -0.353 -13.649 2.841 454 2HA GLY 63 2HA GLY 63 -1.998 -13.967 2.265 455 H GLY 64 H GLY 64 -3.054 -11.639 1.778 456 1HA GLY 64 1HA GLY 64 -2.777 -10.752 -0.648 457 2HA GLY 64 2HA GLY 64 -2.981 -9.595 0.687 458 H CYS 65 H CYS 65 -0.885 -9.066 1.841 459 HA CYS 65 HA CYS 65 0.808 -7.799 -0.249 460 1HB CYS 65 1HB CYS 65 0.418 -7.021 2.622 461 2HB CYS 65 2HB CYS 65 1.007 -6.005 1.299 462 H HIS 66 H HIS 66 0.999 -9.326 2.997 463 HA HIS 66 HA HIS 66 3.900 -9.395 2.948 464 1HB HIS 66 1HB HIS 66 1.928 -10.920 4.706 465 2HB HIS 66 2HB HIS 66 3.668 -10.853 4.923 466 HD1 HIS 66 HND HIS 66 4.702 -8.398 5.663 467 HD2 HIS 66 HD HIS 66 0.531 -8.949 5.817 468 HE1 HIS 66 HE HIS 66 3.700 -6.549 7.172 469 H ILE 67 H ILE 67 4.379 -10.439 0.964 470 HA ILE 67 HA ILE 67 3.592 -13.042 0.174 471 HB ILE 67 HB ILE 67 6.367 -11.797 -0.045 472 1HG1 ILE 67 1HG1 ILE 67 4.845 -10.215 -1.007 473 2HG1 ILE 67 2HG1 ILE 67 5.689 -11.058 -2.298 474 1HG2 ILE 67 1HG2 ILE 67 6.433 -14.171 -0.550 475 2HG2 ILE 67 2HG2 ILE 67 5.028 -14.038 -1.618 476 3HG2 ILE 67 3HG2 ILE 67 6.564 -13.262 -2.058 477 1HD1 ILE 67 1HD1 ILE 67 3.661 -12.499 -2.655 478 2HD1 ILE 67 2HD1 ILE 67 2.814 -11.559 -1.399 479 3HD1 ILE 67 3HD1 ILE 67 3.353 -10.770 -2.886 480 H LYS 68 H LYS 68 3.380 -14.596 1.708 481 HA LYS 68 HA LYS 68 5.154 -14.650 3.932 482 1HB LYS 68 1HB LYS 68 2.680 -15.041 4.060 483 2HB LYS 68 2HB LYS 68 2.895 -16.568 3.190 484 1HG LYS 68 1HG LYS 68 2.654 -16.881 5.640 485 2HG LYS 68 2HG LYS 68 4.209 -17.491 5.039 486 1HD LYS 68 1HD LYS 68 5.378 -15.525 5.802 487 2HD LYS 68 2HD LYS 68 3.853 -14.698 6.207 488 1HE LYS 68 1HE LYS 68 3.544 -16.478 8.015 489 2HE LYS 68 2HE LYS 68 5.126 -17.133 7.534 490 1HZ LYS 68 1HZ LYS 68 4.533 -14.543 8.754 491 2HZ LYS 68 2HZ LYS 68 5.639 -15.671 9.241 492 3HZ LYS 68 3HZ LYS 68 5.895 -14.733 7.888 493 HHA HEC 69 HCM HEC 69 8.167 7.412 -1.696 494 HHB HEC 69 HDM HEC 69 6.524 10.551 -6.953 495 HHC HEC 69 HAM HEC 69 1.235 6.929 -7.437 496 HHD HEC 69 HBM HEC 69 2.562 4.512 -1.690 497 1HMA HEC 69 HM81 HEC 69 8.834 10.625 -6.773 498 2HMA HEC 69 HM82 HEC 69 8.551 11.793 -5.453 499 3HMA HEC 69 HM83 HEC 69 9.955 10.706 -5.417 500 1HAA HEC 69 HP71 HEC 69 10.110 10.296 -3.163 501 2HAA HEC 69 HP72 HEC 69 9.644 9.056 -2.016 502 1HBA HEC 69 HP73 HEC 69 10.521 7.302 -3.462 503 2HBA HEC 69 HP74 HEC 69 10.902 8.490 -4.717 504 1HMB HEC 69 HM11 HEC 69 5.574 11.141 -8.751 505 2HMB HEC 69 HM12 HEC 69 4.666 10.308 -10.003 506 3HMB HEC 69 HM13 HEC 69 3.856 11.494 -8.943 507 HAB HEC 69 HT2A HEC 69 1.129 8.383 -8.941 508 1HBB HEC 69 HT21 HEC 69 2.418 10.586 -10.519 509 2HBB HEC 69 HT22 HEC 69 2.731 8.863 -10.859 510 3HBB HEC 69 HT23 HEC 69 1.089 9.510 -10.940 511 1HMC HEC 69 HM31 HEC 69 -0.136 4.779 -6.986 512 2HMC HEC 69 HM32 HEC 69 -1.148 4.753 -5.530 513 3HMC HEC 69 HM33 HEC 69 -0.772 6.290 -6.302 514 HAC HEC 69 HT4A HEC 69 0.552 4.186 -2.053 515 1HBC HEC 69 HT41 HEC 69 -0.832 2.387 -2.658 516 2HBC HEC 69 HT42 HEC 69 -0.919 2.893 -4.341 517 3HBC HEC 69 HT43 HEC 69 0.605 2.262 -3.688 518 1HMD HEC 69 HM51 HEC 69 3.902 3.472 -0.224 519 2HMD HEC 69 HM52 HEC 69 5.207 3.995 0.850 520 3HMD HEC 69 HM53 HEC 69 3.704 4.940 0.736 521 1HAD HEC 69 HP61 HEC 69 7.804 6.671 0.206 522 2HAD HEC 69 HP62 HEC 69 6.598 5.843 1.128 523 1HBD HEC 69 HP63 HEC 69 7.502 3.667 0.464 524 2HBD HEC 69 HP64 HEC 69 8.601 4.462 -0.689 525 HHA HEC 70 HCM HEC 70 -3.245 -4.979 -6.614 526 HHB HEC 70 HDM HEC 70 0.622 -4.282 -1.562 527 HHC HEC 70 HAM HEC 70 -2.222 1.257 -0.211 528 HHD HEC 70 HBM HEC 70 -6.288 0.432 -5.033 529 1HMA HEC 70 HM81 HEC 70 0.315 -6.911 -2.400 530 2HMA HEC 70 HM82 HEC 70 0.787 -7.168 -4.088 531 3HMA HEC 70 HM83 HEC 70 1.546 -5.869 -3.163 532 1HAA HEC 70 HP71 HEC 70 -1.336 -7.767 -4.917 533 2HAA HEC 70 HP72 HEC 70 -2.528 -7.025 -5.962 534 1HBA HEC 70 HP73 HEC 70 -0.808 -6.330 -7.531 535 2HBA HEC 70 HP74 HEC 70 0.472 -6.861 -6.429 536 1HMB HEC 70 HM11 HEC 70 1.944 -3.051 -0.072 537 2HMB HEC 70 HM12 HEC 70 1.524 -2.081 1.338 538 3HMB HEC 70 HM13 HEC 70 0.654 -3.591 1.022 539 HAB HEC 70 HT2A HEC 70 -0.795 1.008 1.221 540 1HBB HEC 70 HT21 HEC 70 1.258 1.540 0.307 541 2HBB HEC 70 HT22 HEC 70 1.650 1.070 1.978 542 3HBB HEC 70 HT23 HEC 70 1.961 -0.040 0.633 543 1HMC HEC 70 HM31 HEC 70 -4.549 3.949 -1.562 544 2HMC HEC 70 HM32 HEC 70 -4.373 2.929 -0.119 545 3HMC HEC 70 HM33 HEC 70 -2.946 3.388 -1.086 546 HAC HEC 70 HT4A HEC 70 -7.194 1.759 -3.552 547 1HBC HEC 70 HT41 HEC 70 -6.460 3.405 -4.965 548 2HBC HEC 70 HT42 HEC 70 -7.299 4.291 -3.703 549 3HBC HEC 70 HT43 HEC 70 -5.526 4.258 -3.694 550 1HMD HEC 70 HM51 HEC 70 -7.712 -2.082 -7.187 551 2HMD HEC 70 HM52 HEC 70 -7.381 -0.435 -6.638 552 3HMD HEC 70 HM53 HEC 70 -6.666 -1.022 -8.152 553 1HAD HEC 70 HP61 HEC 70 -4.998 -4.691 -8.085 554 2HAD HEC 70 HP62 HEC 70 -6.066 -3.407 -8.622 555 1HBD HEC 70 HP63 HEC 70 -4.045 -1.991 -9.115 556 2HBD HEC 70 HP64 HEC 70 -3.032 -3.394 -8.748 557 HHA HEC 71 HCM HEC 71 3.951 -3.799 9.024 558 HHB HEC 71 HDM HEC 71 0.925 -8.936 11.363 559 HHC HEC 71 HAM HEC 71 -2.732 -9.022 6.124 560 HHD HEC 71 HBM HEC 71 0.369 -4.049 3.791 561 1HMA HEC 71 HM81 HEC 71 3.748 -7.743 12.886 562 2HMA HEC 71 HM82 HEC 71 2.767 -6.400 13.412 563 3HMA HEC 71 HM83 HEC 71 1.990 -7.950 13.048 564 1HAA HEC 71 HP71 HEC 71 4.876 -4.293 10.943 565 2HAA HEC 71 HP72 HEC 71 4.873 -5.435 12.260 566 1HBA HEC 71 HP73 HEC 71 5.547 -6.430 9.507 567 2HBA HEC 71 HP74 HEC 71 6.695 -5.305 10.243 568 1HMB HEC 71 HM11 HEC 71 0.066 -11.161 10.922 569 2HMB HEC 71 HM12 HEC 71 -1.344 -10.386 11.690 570 3HMB HEC 71 HM13 HEC 71 -1.563 -11.687 10.494 571 HAB HEC 71 HT2A HEC 71 -3.797 -9.933 7.720 572 1HBB HEC 71 HT21 HEC 71 -3.683 -10.607 10.649 573 2HBB HEC 71 HT22 HEC 71 -4.125 -9.031 9.955 574 3HBB HEC 71 HT23 HEC 71 -5.109 -10.465 9.609 575 1HMC HEC 71 HM31 HEC 71 -3.223 -7.760 2.688 576 2HMC HEC 71 HM32 HEC 71 -2.602 -9.063 3.708 577 3HMC HEC 71 HM33 HEC 71 -4.004 -8.128 4.242 578 HAC HEC 71 HT4A HEC 71 -1.219 -4.386 2.525 579 1HBC HEC 71 HT41 HEC 71 -3.965 -5.626 2.420 580 2HBC HEC 71 HT42 HEC 71 -3.529 -4.175 3.343 581 3HBC HEC 71 HT43 HEC 71 -3.353 -4.174 1.595 582 1HMD HEC 71 HM51 HEC 71 3.418 -2.487 3.883 583 2HMD HEC 71 HM52 HEC 71 1.686 -2.426 3.536 584 3HMD HEC 71 HM53 HEC 71 2.414 -1.207 4.578 585 1HAD HEC 71 HP61 HEC 71 4.325 -1.552 5.889 586 2HAD HEC 71 HP62 HEC 71 3.965 -1.434 7.592 587 1HBD HEC 71 HP63 HEC 71 6.345 -2.098 6.666 588 2HBD HEC 71 HP64 HEC 71 5.731 -2.779 8.162 Start of MODEL 11 1 1H ALA 1 1H ALA 1 9.552 -1.951 -10.327 2 2H ALA 1 2H ALA 1 11.075 -2.272 -9.771 3 3H ALA 1 3H ALA 1 9.884 -1.905 -8.689 4 HA ALA 1 HA ALA 1 11.229 0.016 -8.903 5 1HB ALA 1 1HB ALA 1 11.457 1.102 -11.160 6 2HB ALA 1 2HB ALA 1 12.290 -0.460 -11.037 7 3HB ALA 1 3HB ALA 1 10.753 -0.348 -11.904 8 H ASP 2 H ASP 2 8.811 -0.256 -11.373 9 HA ASP 2 HA ASP 2 6.549 1.170 -10.529 10 1HB ASP 2 1HB ASP 2 5.560 -0.655 -11.998 11 2HB ASP 2 2HB ASP 2 6.970 0.073 -12.767 12 H VAL 3 H VAL 3 8.155 -0.938 -8.531 13 HA VAL 3 HA VAL 3 6.007 -1.715 -6.968 14 HB VAL 3 HB VAL 3 5.693 -3.494 -8.686 15 1HG1 VAL 3 1HG1 VAL 3 7.974 -3.562 -9.643 16 2HG1 VAL 3 2HG1 VAL 3 8.583 -4.320 -8.154 17 3HG1 VAL 3 3HG1 VAL 3 7.407 -5.162 -9.174 18 1HG2 VAL 3 1HG2 VAL 3 5.292 -4.153 -6.351 19 2HG2 VAL 3 2HG2 VAL 3 5.930 -5.499 -7.292 20 3HG2 VAL 3 3HG2 VAL 3 6.992 -4.634 -6.170 21 H VAL 4 H VAL 4 6.857 -2.252 -4.948 22 HA VAL 4 HA VAL 4 9.802 -2.345 -4.547 23 HB VAL 4 HB VAL 4 7.854 -0.321 -3.427 24 1HG1 VAL 4 1HG1 VAL 4 9.763 0.513 -2.022 25 2HG1 VAL 4 2HG1 VAL 4 9.218 -1.074 -1.506 26 3HG1 VAL 4 3HG1 VAL 4 10.697 -0.924 -2.473 27 1HG2 VAL 4 1HG2 VAL 4 8.860 0.367 -5.535 28 2HG2 VAL 4 2HG2 VAL 4 9.526 1.316 -4.203 29 3HG2 VAL 4 3HG2 VAL 4 10.484 -0.007 -4.902 30 H THR 5 H THR 5 10.256 -3.005 -2.274 31 HA THR 5 HA THR 5 7.898 -3.727 -0.803 32 HB THR 5 HB THR 5 8.692 -5.950 -1.545 33 HG1 THR 5 HG1 THR 5 7.946 -5.411 0.559 34 1HG2 THR 5 1HG2 THR 5 11.353 -5.265 -0.191 35 2HG2 THR 5 2HG2 THR 5 10.879 -6.845 -0.835 36 3HG2 THR 5 3HG2 THR 5 11.100 -5.474 -1.936 37 H TYR 6 H TYR 6 7.940 -3.356 1.282 38 HA TYR 6 HA TYR 6 9.916 -1.617 2.451 39 1HB TYR 6 1HB TYR 6 7.709 -3.251 3.717 40 2HB TYR 6 2HB TYR 6 8.549 -1.905 4.481 41 HD1 TYR 6 HD1 TYR 6 5.467 -2.609 3.464 42 HD2 TYR 6 HD2 TYR 6 8.542 0.251 2.515 43 HE1 TYR 6 HE1 TYR 6 3.874 -1.332 2.021 44 HE2 TYR 6 HE2 TYR 6 6.894 1.585 1.275 45 HH TYR 6 HH TYR 6 4.671 0.912 -0.035 46 H GLU 7 H GLU 7 9.791 -5.056 2.021 47 HA GLU 7 HA GLU 7 10.521 -6.817 3.234 48 1HB GLU 7 1HB GLU 7 12.982 -6.904 3.305 49 2HB GLU 7 2HB GLU 7 12.182 -6.672 1.750 50 1HG GLU 7 1HG GLU 7 12.749 -4.262 1.771 51 2HG GLU 7 2HG GLU 7 13.533 -4.461 3.351 52 H ASN 8 H ASN 8 9.396 -6.583 5.025 53 HA ASN 8 HA ASN 8 10.447 -5.199 7.400 54 1HB ASN 8 1HB ASN 8 7.886 -6.801 7.409 55 2HB ASN 8 2HB ASN 8 8.294 -5.308 8.266 56 1HD2 ASN 8 1HD2 ASN 8 6.912 -6.687 5.349 57 2HD2 ASN 8 2HD2 ASN 8 6.565 -5.114 4.625 58 H LYS 9 H LYS 9 9.711 -6.632 9.603 59 HA LYS 9 HA LYS 9 11.518 -8.953 9.426 60 1HB LYS 9 1HB LYS 9 11.559 -7.300 11.382 61 2HB LYS 9 2HB LYS 9 9.960 -7.891 11.813 62 1HG LYS 9 1HG LYS 9 11.423 -9.103 13.207 63 2HG LYS 9 2HG LYS 9 10.915 -10.227 11.968 64 1HD LYS 9 1HD LYS 9 13.263 -10.568 12.329 65 2HD LYS 9 2HD LYS 9 13.051 -9.892 10.728 66 1HE LYS 9 1HE LYS 9 14.982 -8.893 11.839 67 2HE LYS 9 2HE LYS 9 13.769 -7.657 11.520 68 1HZ LYS 9 1HZ LYS 9 14.197 -8.999 14.114 69 2HZ LYS 9 2HZ LYS 9 14.702 -7.484 13.723 70 3HZ LYS 9 3HZ LYS 9 13.095 -7.808 13.817 71 H LYS 10 H LYS 10 8.122 -8.066 9.961 72 HA LYS 10 HA LYS 10 6.966 -10.592 10.383 73 1HB LYS 10 1HB LYS 10 5.680 -8.615 10.479 74 2HB LYS 10 2HB LYS 10 6.047 -8.194 8.784 75 1HG LYS 10 1HG LYS 10 3.715 -8.792 9.251 76 2HG LYS 10 2HG LYS 10 4.487 -9.673 7.941 77 1HD LYS 10 1HD LYS 10 3.079 -11.166 9.287 78 2HD LYS 10 2HD LYS 10 4.764 -11.674 9.265 79 1HE LYS 10 1HE LYS 10 5.000 -10.443 11.559 80 2HE LYS 10 2HE LYS 10 3.237 -10.351 11.546 81 1HZ LYS 10 1HZ LYS 10 4.077 -12.251 12.741 82 2HZ LYS 10 2HZ LYS 10 3.225 -12.767 11.431 83 3HZ LYS 10 3HZ LYS 10 4.872 -12.801 11.414 84 H GLY 11 H GLY 11 7.448 -9.056 7.182 85 1HA GLY 11 1HA GLY 11 8.197 -11.251 5.673 86 2HA GLY 11 2HA GLY 11 6.417 -11.314 5.733 87 H ASN 12 H ASN 12 8.301 -10.652 3.520 88 HA ASN 12 HA ASN 12 8.553 -7.875 3.069 89 1HB ASN 12 1HB ASN 12 8.417 -10.137 1.061 90 2HB ASN 12 2HB ASN 12 8.950 -8.504 0.698 91 1HD2 ASN 12 1HD2 ASN 12 10.156 -9.261 3.828 92 2HD2 ASN 12 2HD2 ASN 12 11.737 -9.772 3.278 93 H VAL 13 H VAL 13 7.023 -6.484 2.799 94 HA VAL 13 HA VAL 13 4.326 -7.144 1.818 95 HB VAL 13 HB VAL 13 5.699 -4.611 2.690 96 1HG1 VAL 13 1HG1 VAL 13 2.972 -4.982 1.367 97 2HG1 VAL 13 2HG1 VAL 13 3.374 -3.589 2.376 98 3HG1 VAL 13 3HG1 VAL 13 4.263 -3.851 0.892 99 1HG2 VAL 13 1HG2 VAL 13 3.168 -5.969 3.731 100 2HG2 VAL 13 2HG2 VAL 13 4.787 -6.297 4.362 101 3HG2 VAL 13 3HG2 VAL 13 4.111 -4.669 4.503 102 H THR 14 H THR 14 4.307 -7.615 -0.379 103 HA THR 14 HA THR 14 6.104 -6.072 -2.208 104 HB THR 14 HB THR 14 3.977 -8.158 -2.826 105 HG1 THR 14 HG1 THR 14 5.868 -8.821 -1.591 106 1HG2 THR 14 1HG2 THR 14 5.175 -8.287 -5.004 107 2HG2 THR 14 2HG2 THR 14 4.479 -6.674 -4.762 108 3HG2 THR 14 3HG2 THR 14 6.221 -6.939 -4.515 109 H PHE 15 H PHE 15 5.400 -4.062 -2.966 110 HA PHE 15 HA PHE 15 2.469 -3.719 -3.295 111 1HB PHE 15 1HB PHE 15 2.388 -1.587 -2.317 112 2HB PHE 15 2HB PHE 15 3.116 -2.660 -1.125 113 HD1 PHE 15 HD1 PHE 15 5.601 -2.620 -0.751 114 HD2 PHE 15 HD2 PHE 15 3.545 0.365 -3.097 115 HE1 PHE 15 HE1 PHE 15 7.399 -0.990 -0.273 116 HE2 PHE 15 HE2 PHE 15 5.398 1.976 -2.656 117 HZ PHE 15 HZ PHE 15 7.313 1.278 -1.259 118 H ASP 16 H ASP 16 2.031 -3.178 -5.315 119 HA ASP 16 HA ASP 16 3.962 -2.322 -7.198 120 1HB ASP 16 1HB ASP 16 1.058 -1.712 -7.476 121 2HB ASP 16 2HB ASP 16 2.246 -2.253 -8.685 122 H HIS 17 H HIS 17 4.272 -0.184 -8.005 123 HA HIS 17 HA HIS 17 3.418 2.017 -6.173 124 1HB HIS 17 1HB HIS 17 5.839 1.349 -6.036 125 2HB HIS 17 2HB HIS 17 6.048 1.819 -7.704 126 HD1 HIS 17 HND HIS 17 7.721 3.789 -7.031 127 HD2 HIS 17 HD HIS 17 3.915 3.989 -5.254 128 HE1 HIS 17 HE HIS 17 7.502 6.105 -6.008 129 H LYS 18 H LYS 18 4.987 1.967 -9.399 130 HA LYS 18 HA LYS 18 3.572 4.064 -10.536 131 1HB LYS 18 1HB LYS 18 5.459 3.187 -11.711 132 2HB LYS 18 2HB LYS 18 4.732 1.563 -11.821 133 1HG LYS 18 1HG LYS 18 3.056 2.249 -13.350 134 2HG LYS 18 2HG LYS 18 3.371 3.964 -13.051 135 1HD LYS 18 1HD LYS 18 5.515 3.801 -14.192 136 2HD LYS 18 2HD LYS 18 5.345 2.025 -14.312 137 1HE LYS 18 1HE LYS 18 3.405 2.207 -15.752 138 2HE LYS 18 2HE LYS 18 3.272 3.951 -15.488 139 1HZ LYS 18 1HZ LYS 18 5.307 4.234 -16.704 140 2HZ LYS 18 2HZ LYS 18 5.443 2.602 -16.938 141 3HZ LYS 18 3HZ LYS 18 4.182 3.429 -17.597 142 H ALA 19 H ALA 19 2.763 0.569 -10.768 143 HA ALA 19 HA ALA 19 0.344 0.672 -12.102 144 1HB ALA 19 1HB ALA 19 -0.317 -1.299 -10.831 145 2HB ALA 19 2HB ALA 19 1.432 -1.387 -11.178 146 3HB ALA 19 3HB ALA 19 0.855 -0.860 -9.573 147 H HIS 20 H HIS 20 0.738 1.105 -8.527 148 HA HIS 20 HA HIS 20 -2.029 1.720 -8.059 149 1HB HIS 20 1HB HIS 20 0.519 2.025 -6.447 150 2HB HIS 20 2HB HIS 20 -0.985 2.749 -5.901 151 HD1 HIS 20 HND HIS 20 -0.696 -0.702 -7.549 152 HD2 HIS 20 HD HIS 20 -1.917 1.187 -4.025 153 HE1 HIS 20 HE HIS 20 -1.897 -2.472 -6.138 154 H ALA 21 H ALA 21 0.749 3.586 -9.129 155 HA ALA 21 HA ALA 21 -0.507 6.179 -8.719 156 1HB ALA 21 1HB ALA 21 1.955 5.786 -9.094 157 2HB ALA 21 2HB ALA 21 1.603 5.566 -10.814 158 3HB ALA 21 3HB ALA 21 1.186 7.088 -10.056 159 H GLU 22 H GLU 22 -0.206 4.148 -11.649 160 HA GLU 22 HA GLU 22 -1.727 6.037 -13.232 161 1HB GLU 22 1HB GLU 22 -1.613 4.373 -15.041 162 2HB GLU 22 2HB GLU 22 -0.035 4.815 -14.376 163 1HG GLU 22 1HG GLU 22 0.098 2.686 -13.194 164 2HG GLU 22 2HG GLU 22 -1.538 2.248 -13.710 165 H LYS 23 H LYS 23 -2.515 2.926 -11.675 166 HA LYS 23 HA LYS 23 -5.150 2.754 -12.834 167 1HB LYS 23 1HB LYS 23 -4.041 1.546 -10.266 168 2HB LYS 23 2HB LYS 23 -5.560 1.098 -11.038 169 1HG LYS 23 1HG LYS 23 -2.775 0.698 -12.228 170 2HG LYS 23 2HG LYS 23 -3.814 -0.515 -11.466 171 1HD LYS 23 1HD LYS 23 -5.501 0.419 -13.414 172 2HD LYS 23 2HD LYS 23 -3.921 0.757 -14.167 173 1HE LYS 23 1HE LYS 23 -3.364 -1.743 -13.403 174 2HE LYS 23 2HE LYS 23 -5.120 -1.881 -13.226 175 1HZ LYS 23 1HZ LYS 23 -4.409 -2.641 -15.323 176 2HZ LYS 23 2HZ LYS 23 -5.326 -1.291 -15.539 177 3HZ LYS 23 3HZ LYS 23 -3.680 -1.207 -15.692 178 H LEU 24 H LEU 24 -3.845 4.194 -9.822 179 HA LEU 24 HA LEU 24 -6.612 4.759 -8.912 180 1HB LEU 24 1HB LEU 24 -4.169 5.136 -7.228 181 2HB LEU 24 2HB LEU 24 -5.819 4.787 -6.753 182 HG LEU 24 HG LEU 24 -4.020 2.784 -8.219 183 1HD1 LEU 24 1HD1 LEU 24 -3.708 1.663 -6.135 184 2HD1 LEU 24 2HD1 LEU 24 -3.142 3.342 -5.982 185 3HD1 LEU 24 3HD1 LEU 24 -4.674 2.862 -5.278 186 1HD2 LEU 24 1HD2 LEU 24 -6.701 2.356 -6.917 187 2HD2 LEU 24 2HD2 LEU 24 -6.328 2.296 -8.647 188 3HD2 LEU 24 3HD2 LEU 24 -5.598 1.113 -7.548 189 H GLY 25 H GLY 25 -3.404 6.481 -9.301 190 1HA GLY 25 1HA GLY 25 -3.971 8.515 -10.699 191 2HA GLY 25 2HA GLY 25 -4.775 9.114 -9.226 192 H CYS 26 H CYS 26 -3.509 9.190 -7.295 193 HA CYS 26 HA CYS 26 -0.772 8.725 -6.949 194 1HB CYS 26 1HB CYS 26 -0.729 10.777 -8.764 195 2HB CYS 26 2HB CYS 26 -1.023 11.710 -7.323 196 H ASP 27 H ASP 27 -3.279 10.966 -6.560 197 HA ASP 27 HA ASP 27 -3.282 12.212 -4.088 198 1HB ASP 27 1HB ASP 27 -5.729 12.073 -4.427 199 2HB ASP 27 2HB ASP 27 -4.886 12.626 -5.875 200 H ALA 28 H ALA 28 -4.366 9.030 -5.071 201 HA ALA 28 HA ALA 28 -5.382 7.714 -3.006 202 1HB ALA 28 1HB ALA 28 -3.064 6.830 -4.767 203 2HB ALA 28 2HB ALA 28 -3.983 5.713 -3.745 204 3HB ALA 28 3HB ALA 28 -4.797 6.595 -5.062 205 H CYS 29 H CYS 29 -1.921 8.469 -3.215 206 HA CYS 29 HA CYS 29 -1.586 7.893 -0.281 207 1HB CYS 29 1HB CYS 29 0.420 7.350 -2.449 208 2HB CYS 29 2HB CYS 29 0.537 6.900 -0.733 209 H HIS 30 H HIS 30 -0.645 9.938 -3.065 210 HA HIS 30 HA HIS 30 0.900 11.720 -1.231 211 1HB HIS 30 1HB HIS 30 1.392 11.129 -4.161 212 2HB HIS 30 2HB HIS 30 2.309 12.207 -3.125 213 HD1 HIS 30 HND HIS 30 3.942 10.933 -1.338 214 HD2 HIS 30 HD HIS 30 2.261 8.818 -4.494 215 HE1 HIS 30 HE HIS 30 5.566 8.940 -1.919 216 H GLU 31 H GLU 31 -0.329 13.493 -1.012 217 HA GLU 31 HA GLU 31 -2.389 14.266 -2.888 218 1HB GLU 31 1HB GLU 31 -1.190 16.039 -0.686 219 2HB GLU 31 2HB GLU 31 -2.797 16.095 -1.430 220 1HG GLU 31 1HG GLU 31 -3.009 13.677 -0.629 221 2HG GLU 31 2HG GLU 31 -1.663 14.003 0.471 222 H GLY 32 H GLY 32 0.677 15.614 -1.954 223 1HA GLY 32 1HA GLY 32 0.944 17.272 -4.417 224 2HA GLY 32 2HA GLY 32 0.957 18.027 -2.813 225 H THR 33 H THR 33 2.889 17.012 -5.137 226 HA THR 33 HA THR 33 5.132 16.651 -5.400 227 HB THR 33 HB THR 33 6.513 17.982 -3.850 228 HG1 THR 33 HG1 THR 33 4.794 17.659 -2.107 229 1HG2 THR 33 1HG2 THR 33 5.578 20.143 -4.540 230 2HG2 THR 33 2HG2 THR 33 5.467 18.975 -5.870 231 3HG2 THR 33 3HG2 THR 33 4.022 19.381 -4.916 232 HA PRO 34 HA PRO 34 5.248 13.062 -2.462 233 1HB PRO 34 1HB PRO 34 5.917 11.100 -4.206 234 2HB PRO 34 2HB PRO 34 4.257 11.710 -4.047 235 1HG PRO 34 1HG PRO 34 6.232 12.549 -6.121 236 2HG PRO 34 2HG PRO 34 4.525 12.016 -6.305 237 1HD PRO 34 1HD PRO 34 5.197 14.638 -6.233 238 2HD PRO 34 2HD PRO 34 3.700 14.066 -5.435 239 H ALA 35 H ALA 35 7.027 12.376 -1.384 240 HA ALA 35 HA ALA 35 9.664 12.137 -2.606 241 1HB ALA 35 1HB ALA 35 9.078 14.265 -0.499 242 2HB ALA 35 2HB ALA 35 10.699 13.766 -1.046 243 3HB ALA 35 3HB ALA 35 9.577 14.551 -2.179 244 H LYS 36 H LYS 36 8.726 10.074 -1.996 245 HA LYS 36 HA LYS 36 8.246 8.295 -0.839 246 1HB LYS 36 1HB LYS 36 9.638 7.542 0.975 247 2HB LYS 36 2HB LYS 36 10.598 8.145 -0.354 248 1HG LYS 36 1HG LYS 36 11.242 10.088 0.765 249 2HG LYS 36 2HG LYS 36 10.013 9.922 2.037 250 1HD LYS 36 1HD LYS 36 12.217 7.871 1.581 251 2HD LYS 36 2HD LYS 36 12.439 9.296 2.615 252 1HE LYS 36 1HE LYS 36 10.535 8.647 4.037 253 2HE LYS 36 2HE LYS 36 10.205 7.236 3.029 254 1HZ LYS 36 1HZ LYS 36 11.407 6.648 4.969 255 2HZ LYS 36 2HZ LYS 36 12.325 6.344 3.638 256 3HZ LYS 36 3HZ LYS 36 12.655 7.652 4.589 257 H ILE 37 H ILE 37 7.495 7.252 1.227 258 HA ILE 37 HA ILE 37 6.338 9.231 3.088 259 HB ILE 37 HB ILE 37 4.629 6.782 2.746 260 1HG1 ILE 37 1HG1 ILE 37 4.502 9.077 0.806 261 2HG1 ILE 37 2HG1 ILE 37 4.927 7.402 0.428 262 1HG2 ILE 37 1HG2 ILE 37 4.403 8.540 4.536 263 2HG2 ILE 37 2HG2 ILE 37 4.011 9.701 3.252 264 3HG2 ILE 37 3HG2 ILE 37 2.964 8.297 3.544 265 1HD1 ILE 37 1HD1 ILE 37 2.665 7.742 -0.193 266 2HD1 ILE 37 2HD1 ILE 37 2.660 6.695 1.242 267 3HD1 ILE 37 3HD1 ILE 37 2.232 8.420 1.382 268 H ALA 38 H ALA 38 6.115 5.764 3.386 269 HA ALA 38 HA ALA 38 8.353 5.013 4.802 270 1HB ALA 38 1HB ALA 38 7.962 6.708 6.521 271 2HB ALA 38 2HB ALA 38 6.227 6.318 6.558 272 3HB ALA 38 3HB ALA 38 7.422 5.159 7.177 273 H ILE 39 H ILE 39 4.814 5.141 5.087 274 HA ILE 39 HA ILE 39 3.267 3.678 5.700 275 HB ILE 39 HB ILE 39 4.614 2.270 3.429 276 1HG1 ILE 39 1HG1 ILE 39 3.638 4.567 3.107 277 2HG1 ILE 39 2HG1 ILE 39 2.936 3.313 2.128 278 1HG2 ILE 39 1HG2 ILE 39 2.460 1.025 3.147 279 2HG2 ILE 39 2HG2 ILE 39 3.373 0.521 4.546 280 3HG2 ILE 39 3HG2 ILE 39 1.964 1.575 4.762 281 1HD1 ILE 39 1HD1 ILE 39 1.214 4.818 2.891 282 2HD1 ILE 39 2HD1 ILE 39 0.936 3.215 3.576 283 3HD1 ILE 39 3HD1 ILE 39 1.608 4.519 4.584 284 H ASP 40 H ASP 40 3.449 3.223 7.636 285 HA ASP 40 HA ASP 40 5.010 0.885 8.643 286 1HB ASP 40 1HB ASP 40 3.451 2.901 10.291 287 2HB ASP 40 2HB ASP 40 4.610 1.713 10.863 288 H LYS 41 H LYS 41 3.780 -0.643 9.902 289 HA LYS 41 HA LYS 41 1.279 -1.581 9.495 290 1HB LYS 41 1HB LYS 41 1.237 -1.969 12.054 291 2HB LYS 41 2HB LYS 41 2.394 -2.790 11.066 292 1HG LYS 41 1HG LYS 41 3.441 -0.183 12.143 293 2HG LYS 41 2HG LYS 41 2.909 -1.286 13.403 294 1HD LYS 41 1HD LYS 41 4.560 -2.800 13.003 295 2HD LYS 41 2HD LYS 41 4.459 -2.530 11.258 296 1HE LYS 41 1HE LYS 41 5.725 -0.333 11.655 297 2HE LYS 41 2HE LYS 41 6.189 -1.062 13.207 298 1HZ LYS 41 1HZ LYS 41 7.783 -1.545 11.428 299 2HZ LYS 41 2HZ LYS 41 7.075 -2.982 11.798 300 3HZ LYS 41 3HZ LYS 41 6.625 -2.156 10.482 301 H LYS 42 H LYS 42 2.028 1.109 11.588 302 HA LYS 42 HA LYS 42 -0.462 1.705 12.692 303 1HB LYS 42 1HB LYS 42 1.699 3.732 11.945 304 2HB LYS 42 2HB LYS 42 0.453 3.913 13.188 305 1HG LYS 42 1HG LYS 42 1.470 1.955 14.407 306 2HG LYS 42 2HG LYS 42 2.796 1.958 13.224 307 1HD LYS 42 1HD LYS 42 3.262 4.345 13.765 308 2HD LYS 42 2HD LYS 42 2.052 4.258 15.065 309 1HE LYS 42 1HE LYS 42 3.362 2.429 16.151 310 2HE LYS 42 2HE LYS 42 4.546 2.487 14.832 311 1HZ LYS 42 1HZ LYS 42 5.307 3.693 16.731 312 2HZ LYS 42 2HZ LYS 42 5.083 4.727 15.476 313 3HZ LYS 42 3HZ LYS 42 3.996 4.683 16.714 314 H SER 43 H SER 43 0.719 2.534 9.474 315 HA SER 43 HA SER 43 -1.693 4.216 8.927 316 1HB SER 43 1HB SER 43 0.911 3.862 7.374 317 2HB SER 43 2HB SER 43 -0.449 4.908 6.949 318 HG SER 43 HG SER 43 1.093 5.061 9.337 319 H ALA 44 H ALA 44 0.361 1.668 7.525 320 HA ALA 44 HA ALA 44 -0.976 0.732 5.371 321 1HB ALA 44 1HB ALA 44 0.071 -1.395 5.886 322 2HB ALA 44 2HB ALA 44 1.205 -0.044 6.247 323 3HB ALA 44 3HB ALA 44 0.378 -0.895 7.555 324 H HIS 45 H HIS 45 -1.551 -0.450 8.735 325 HA HIS 45 HA HIS 45 -3.709 -2.203 7.787 326 1HB HIS 45 1HB HIS 45 -2.349 -1.720 10.442 327 2HB HIS 45 2HB HIS 45 -3.808 -2.667 10.304 328 HD1 HIS 45 HND HIS 45 -2.717 -4.763 11.177 329 HD2 HIS 45 HD HIS 45 -0.962 -3.273 7.648 330 HE1 HIS 45 HE HIS 45 -1.171 -6.562 10.312 331 H LYS 46 H LYS 46 -3.749 1.063 8.169 332 HA LYS 46 HA LYS 46 -6.207 1.194 9.867 333 1HB LYS 46 1HB LYS 46 -4.155 1.624 11.079 334 2HB LYS 46 2HB LYS 46 -3.660 2.829 9.897 335 1HG LYS 46 1HG LYS 46 -6.299 3.289 11.258 336 2HG LYS 46 2HG LYS 46 -4.842 3.385 12.270 337 1HD LYS 46 1HD LYS 46 -3.816 4.997 10.671 338 2HD LYS 46 2HD LYS 46 -5.313 4.945 9.725 339 1HE LYS 46 1HE LYS 46 -6.546 5.716 11.821 340 2HE LYS 46 2HE LYS 46 -4.952 6.030 12.546 341 1HZ LYS 46 1HZ LYS 46 -5.872 7.997 11.505 342 2HZ LYS 46 2HZ LYS 46 -4.564 7.517 10.605 343 3HZ LYS 46 3HZ LYS 46 -6.098 7.185 10.102 344 H ASP 47 H ASP 47 -4.217 3.316 7.713 345 HA ASP 47 HA ASP 47 -6.583 4.079 6.157 346 1HB ASP 47 1HB ASP 47 -5.064 6.144 7.811 347 2HB ASP 47 2HB ASP 47 -5.996 6.529 6.373 348 H ALA 48 H ALA 48 -4.713 2.473 5.317 349 HA ALA 48 HA ALA 48 -3.918 4.055 3.026 350 1HB ALA 48 1HB ALA 48 -1.847 4.352 4.213 351 2HB ALA 48 2HB ALA 48 -1.763 2.651 4.665 352 3HB ALA 48 3HB ALA 48 -1.567 3.137 2.959 353 H CYS 49 H CYS 49 -2.359 1.003 3.504 354 HA CYS 49 HA CYS 49 -3.539 -0.043 1.184 355 1HB CYS 49 1HB CYS 49 -2.456 -1.793 3.337 356 2HB CYS 49 2HB CYS 49 -2.318 -2.003 1.610 357 H LYS 50 H LYS 50 -4.143 -1.087 4.576 358 HA LYS 50 HA LYS 50 -6.364 -2.780 3.760 359 1HB LYS 50 1HB LYS 50 -4.584 -3.187 5.603 360 2HB LYS 50 2HB LYS 50 -5.505 -1.995 6.529 361 1HG LYS 50 1HG LYS 50 -7.554 -3.623 5.989 362 2HG LYS 50 2HG LYS 50 -6.279 -4.804 5.674 363 1HD LYS 50 1HD LYS 50 -5.375 -4.477 7.936 364 2HD LYS 50 2HD LYS 50 -6.469 -3.101 8.199 365 1HE LYS 50 1HE LYS 50 -8.440 -4.601 7.975 366 2HE LYS 50 2HE LYS 50 -7.351 -5.997 7.862 367 1HZ LYS 50 1HZ LYS 50 -6.551 -5.448 10.060 368 2HZ LYS 50 2HZ LYS 50 -7.511 -4.113 10.131 369 3HZ LYS 50 3HZ LYS 50 -8.188 -5.613 10.098 370 H THR 51 H THR 51 -6.909 -0.124 3.070 371 HA THR 51 HA THR 51 -9.485 0.229 4.357 372 HB THR 51 HB THR 51 -7.254 2.095 5.017 373 HG1 THR 51 HG1 THR 51 -8.419 2.136 6.893 374 1HG2 THR 51 1HG2 THR 51 -8.524 3.670 3.655 375 2HG2 THR 51 2HG2 THR 51 -10.056 3.121 4.379 376 3HG2 THR 51 3HG2 THR 51 -8.864 3.989 5.356 377 H CYS 52 H CYS 52 -7.015 1.690 2.185 378 HA CYS 52 HA CYS 52 -8.907 2.833 0.401 379 1HB CYS 52 1HB CYS 52 -6.436 3.233 0.757 380 2HB CYS 52 2HB CYS 52 -6.150 1.814 -0.257 381 H HIS 53 H HIS 53 -7.403 -0.426 0.559 382 HA HIS 53 HA HIS 53 -8.448 -1.415 -1.877 383 1HB HIS 53 1HB HIS 53 -7.780 -2.804 0.765 384 2HB HIS 53 2HB HIS 53 -8.248 -3.665 -0.712 385 HD1 HIS 53 HND HIS 53 -5.608 -4.618 0.025 386 HD2 HIS 53 HD HIS 53 -6.227 -1.129 -2.200 387 HE1 HIS 53 HE HIS 53 -3.477 -4.166 -1.299 388 H LYS 54 H LYS 54 -9.801 -2.194 1.300 389 HA LYS 54 HA LYS 54 -11.781 -3.358 1.712 390 1HB LYS 54 1HB LYS 54 -12.343 -0.448 1.325 391 2HB LYS 54 2HB LYS 54 -13.560 -1.584 1.945 392 1HG LYS 54 1HG LYS 54 -12.088 -2.298 3.773 393 2HG LYS 54 2HG LYS 54 -10.776 -1.306 3.123 394 1HD LYS 54 1HD LYS 54 -11.700 -0.135 4.948 395 2HD LYS 54 2HD LYS 54 -12.143 0.720 3.454 396 1HE LYS 54 1HE LYS 54 -14.430 -0.250 3.566 397 2HE LYS 54 2HE LYS 54 -13.982 -1.149 5.028 398 1HZ LYS 54 1HZ LYS 54 -13.620 0.973 6.118 399 2HZ LYS 54 2HZ LYS 54 -14.049 1.785 4.753 400 3HZ LYS 54 3HZ LYS 54 -15.159 0.866 5.543 401 H SER 55 H SER 55 -12.209 -4.883 0.097 402 HA SER 55 HA SER 55 -13.911 -6.013 -0.862 403 1HB SER 55 1HB SER 55 -15.472 -4.278 0.141 404 2HB SER 55 2HB SER 55 -15.408 -3.441 -1.433 405 HG SER 55 HG SER 55 -16.159 -5.297 -2.413 406 H ASN 56 H ASN 56 -11.695 -5.515 -2.233 407 HA ASN 56 HA ASN 56 -12.568 -5.318 -5.073 408 1HB ASN 56 1HB ASN 56 -10.661 -3.885 -5.540 409 2HB ASN 56 2HB ASN 56 -11.730 -3.112 -4.361 410 1HD2 ASN 56 1HD2 ASN 56 -8.855 -2.578 -4.859 411 2HD2 ASN 56 2HD2 ASN 56 -7.977 -3.053 -3.408 412 H ASN 57 H ASN 57 -9.901 -6.115 -2.830 413 HA ASN 57 HA ASN 57 -8.646 -7.946 -4.738 414 1HB ASN 57 1HB ASN 57 -7.957 -7.105 -1.886 415 2HB ASN 57 2HB ASN 57 -6.888 -8.002 -2.949 416 1HD2 ASN 57 1HD2 ASN 57 -6.946 -6.727 -5.337 417 2HD2 ASN 57 2HD2 ASN 57 -6.565 -5.018 -5.171 418 H GLY 58 H GLY 58 -7.913 -10.088 -3.964 419 1HA GLY 58 1HA GLY 58 -10.199 -11.597 -2.876 420 2HA GLY 58 2HA GLY 58 -8.699 -12.262 -3.509 421 HA PRO 59 HA PRO 59 -7.271 -12.598 0.708 422 1HB PRO 59 1HB PRO 59 -4.569 -12.395 0.541 423 2HB PRO 59 2HB PRO 59 -5.432 -13.622 -0.419 424 1HG PRO 59 1HG PRO 59 -4.564 -10.861 -1.362 425 2HG PRO 59 2HG PRO 59 -4.210 -12.433 -2.138 426 1HD PRO 59 1HD PRO 59 -6.277 -10.830 -2.873 427 2HD PRO 59 2HD PRO 59 -6.429 -12.610 -2.912 428 H THR 60 H THR 60 -8.581 -10.497 0.919 429 HA THR 60 HA THR 60 -7.171 -8.099 1.757 430 HB THR 60 HB THR 60 -9.607 -7.742 2.660 431 HG1 THR 60 HG1 THR 60 -10.341 -9.831 2.730 432 1HG2 THR 60 1HG2 THR 60 -9.165 -8.366 -0.291 433 2HG2 THR 60 2HG2 THR 60 -10.517 -7.425 0.360 434 3HG2 THR 60 3HG2 THR 60 -8.857 -6.802 0.495 435 H LYS 61 H LYS 61 -8.731 -10.904 3.120 436 HA LYS 61 HA LYS 61 -8.071 -10.361 5.904 437 1HB LYS 61 1HB LYS 61 -9.223 -12.398 6.415 438 2HB LYS 61 2HB LYS 61 -10.212 -11.330 5.439 439 1HG LYS 61 1HG LYS 61 -8.825 -13.870 4.433 440 2HG LYS 61 2HG LYS 61 -10.504 -13.708 4.937 441 1HD LYS 61 1HD LYS 61 -10.721 -11.886 3.115 442 2HD LYS 61 2HD LYS 61 -9.181 -12.566 2.471 443 1HE LYS 61 1HE LYS 61 -10.203 -14.738 2.199 444 2HE LYS 61 2HE LYS 61 -11.745 -14.130 2.829 445 1HZ LYS 61 1HZ LYS 61 -11.587 -14.144 0.383 446 2HZ LYS 61 2HZ LYS 61 -11.908 -12.652 0.989 447 3HZ LYS 61 3HZ LYS 61 -10.409 -12.986 0.431 448 H CYS 62 H CYS 62 -5.813 -10.190 4.710 449 HA CYS 62 HA CYS 62 -3.683 -10.698 5.163 450 1HB CYS 62 1HB CYS 62 -4.819 -11.721 7.203 451 2HB CYS 62 2HB CYS 62 -4.344 -13.280 6.496 452 H GLY 63 H GLY 63 -1.939 -12.473 4.787 453 1HA GLY 63 1HA GLY 63 -0.800 -13.598 3.155 454 2HA GLY 63 2HA GLY 63 -2.308 -14.456 2.777 455 H GLY 64 H GLY 64 -1.982 -10.958 2.640 456 1HA GLY 64 1HA GLY 64 -2.622 -10.985 -0.269 457 2HA GLY 64 2HA GLY 64 -2.967 -9.712 0.923 458 H CYS 65 H CYS 65 -0.975 -8.846 2.009 459 HA CYS 65 HA CYS 65 0.579 -7.648 -0.165 460 1HB CYS 65 1HB CYS 65 0.310 -6.823 2.719 461 2HB CYS 65 2HB CYS 65 0.724 -5.797 1.337 462 H HIS 66 H HIS 66 1.111 -8.921 3.138 463 HA HIS 66 HA HIS 66 3.973 -9.208 2.935 464 1HB HIS 66 1HB HIS 66 2.008 -10.727 4.684 465 2HB HIS 66 2HB HIS 66 3.753 -10.683 4.867 466 HD1 HIS 66 HND HIS 66 4.779 -8.158 5.596 467 HD2 HIS 66 HD HIS 66 0.611 -8.828 5.871 468 HE1 HIS 66 HE HIS 66 3.749 -6.336 7.130 469 H ILE 67 H ILE 67 4.847 -10.559 1.411 470 HA ILE 67 HA ILE 67 3.526 -13.068 0.610 471 HB ILE 67 HB ILE 67 6.335 -12.047 0.085 472 1HG1 ILE 67 1HG1 ILE 67 4.705 -10.457 -0.806 473 2HG1 ILE 67 2HG1 ILE 67 5.492 -11.353 -2.106 474 1HG2 ILE 67 1HG2 ILE 67 6.229 -13.664 -1.828 475 2HG2 ILE 67 2HG2 ILE 67 6.207 -14.451 -0.246 476 3HG2 ILE 67 3HG2 ILE 67 4.706 -14.302 -1.170 477 1HD1 ILE 67 1HD1 ILE 67 2.665 -11.794 -1.043 478 2HD1 ILE 67 2HD1 ILE 67 3.135 -11.059 -2.576 479 3HD1 ILE 67 3HD1 ILE 67 3.436 -12.781 -2.309 480 H LYS 68 H LYS 68 3.121 -13.805 2.691 481 HA LYS 68 HA LYS 68 5.186 -14.748 4.508 482 1HB LYS 68 1HB LYS 68 2.810 -14.330 5.152 483 2HB LYS 68 2HB LYS 68 2.305 -15.639 4.063 484 1HG LYS 68 1HG LYS 68 3.808 -17.197 5.432 485 2HG LYS 68 2HG LYS 68 3.988 -15.889 6.599 486 1HD LYS 68 1HD LYS 68 1.394 -17.227 5.679 487 2HD LYS 68 2HD LYS 68 2.239 -17.558 7.200 488 1HE LYS 68 1HE LYS 68 1.855 -15.206 7.937 489 2HE LYS 68 2HE LYS 68 1.000 -14.863 6.423 490 1HZ LYS 68 1HZ LYS 68 -0.634 -16.494 7.018 491 2HZ LYS 68 2HZ LYS 68 0.132 -16.820 8.438 492 3HZ LYS 68 3HZ LYS 68 -0.527 -15.334 8.175 493 HHA HEC 69 HCM HEC 69 8.812 6.524 -2.274 494 HHB HEC 69 HDM HEC 69 6.638 10.274 -6.923 495 HHC HEC 69 HAM HEC 69 1.143 6.953 -6.881 496 HHD HEC 69 HBM HEC 69 2.871 4.553 -1.187 497 1HMA HEC 69 HM81 HEC 69 8.759 11.344 -5.685 498 2HMA HEC 69 HM82 HEC 69 10.195 10.299 -5.686 499 3HMA HEC 69 HM83 HEC 69 9.022 10.161 -6.994 500 1HAA HEC 69 HP71 HEC 69 10.588 9.624 -3.569 501 2HAA HEC 69 HP72 HEC 69 10.157 8.330 -2.479 502 1HBA HEC 69 HP73 HEC 69 10.957 6.647 -4.028 503 2HBA HEC 69 HP74 HEC 69 11.331 7.903 -5.223 504 1HMB HEC 69 HM11 HEC 69 4.410 10.132 -9.793 505 2HMB HEC 69 HM12 HEC 69 3.972 11.403 -8.620 506 3HMB HEC 69 HM13 HEC 69 5.628 10.786 -8.721 507 HAB HEC 69 HT2A HEC 69 0.943 8.504 -8.314 508 1HBB HEC 69 HT21 HEC 69 2.141 10.776 -9.874 509 2HBB HEC 69 HT22 HEC 69 2.357 9.085 -10.392 510 3HBB HEC 69 HT23 HEC 69 0.739 9.771 -10.229 511 1HMC HEC 69 HM31 HEC 69 -0.775 6.611 -5.386 512 2HMC HEC 69 HM32 HEC 69 -0.408 5.104 -6.246 513 3HMC HEC 69 HM33 HEC 69 -1.209 5.062 -4.676 514 HAC HEC 69 HT4A HEC 69 0.856 4.114 -1.488 515 1HBC HEC 69 HT41 HEC 69 -1.184 3.261 -3.518 516 2HBC HEC 69 HT42 HEC 69 0.430 2.497 -3.494 517 3HBC HEC 69 HT43 HEC 69 -0.610 2.456 -2.064 518 1HMD HEC 69 HM51 HEC 69 4.463 3.274 0.057 519 2HMD HEC 69 HM52 HEC 69 5.837 3.816 1.037 520 3HMD HEC 69 HM53 HEC 69 4.351 4.796 0.972 521 1HAD HEC 69 HP61 HEC 69 8.772 5.846 -0.303 522 2HAD HEC 69 HP62 HEC 69 7.658 5.292 0.913 523 1HBD HEC 69 HP63 HEC 69 9.378 3.665 0.601 524 2HBD HEC 69 HP64 HEC 69 7.853 3.007 0.011 525 HHA HEC 70 HCM HEC 70 -4.251 -4.915 -6.356 526 HHB HEC 70 HDM HEC 70 -0.131 -4.371 -1.484 527 HHC HEC 70 HAM HEC 70 -2.259 1.537 -0.449 528 HHD HEC 70 HBM HEC 70 -6.797 0.764 -4.807 529 1HMA HEC 70 HM81 HEC 70 0.400 -6.183 -2.609 530 2HMA HEC 70 HM82 HEC 70 -0.896 -7.401 -2.647 531 3HMA HEC 70 HM83 HEC 70 0.036 -7.015 -4.113 532 1HAA HEC 70 HP71 HEC 70 -2.592 -7.038 -6.248 533 2HAA HEC 70 HP72 HEC 70 -2.225 -7.839 -4.723 534 1HBA HEC 70 HP73 HEC 70 -4.591 -6.944 -3.996 535 2HBA HEC 70 HP74 HEC 70 -4.858 -6.891 -5.760 536 1HMB HEC 70 HM11 HEC 70 0.123 -3.271 1.223 537 2HMB HEC 70 HM12 HEC 70 1.276 -3.392 -0.114 538 3HMB HEC 70 HM13 HEC 70 1.360 -2.021 0.995 539 HAB HEC 70 HT2A HEC 70 -1.031 1.120 1.065 540 1HBB HEC 70 HT21 HEC 70 1.809 0.139 1.033 541 2HBB HEC 70 HT22 HEC 70 1.150 1.256 -0.169 542 3HBB HEC 70 HT23 HEC 70 1.138 1.706 1.534 543 1HMC HEC 70 HM31 HEC 70 -2.859 3.592 -1.358 544 2HMC HEC 70 HM32 HEC 70 -4.398 4.330 -1.779 545 3HMC HEC 70 HM33 HEC 70 -4.230 3.423 -0.258 546 HAC HEC 70 HT4A HEC 70 -7.540 2.100 -3.013 547 1HBC HEC 70 HT41 HEC 70 -5.813 4.394 -4.018 548 2HBC HEC 70 HT42 HEC 70 -6.811 3.289 -4.992 549 3HBC HEC 70 HT43 HEC 70 -7.586 4.465 -3.941 550 1HMD HEC 70 HM51 HEC 70 -7.332 -0.561 -7.829 551 2HMD HEC 70 HM52 HEC 70 -8.415 -1.715 -7.040 552 3HMD HEC 70 HM53 HEC 70 -8.101 -0.154 -6.282 553 1HAD HEC 70 HP61 HEC 70 -6.074 -4.588 -7.675 554 2HAD HEC 70 HP62 HEC 70 -7.159 -3.302 -8.161 555 1HBD HEC 70 HP63 HEC 70 -5.163 -2.010 -9.002 556 2HBD HEC 70 HP64 HEC 70 -4.182 -3.453 -8.704 557 HHA HEC 71 HCM HEC 71 3.794 -3.500 9.020 558 HHB HEC 71 HDM HEC 71 1.267 -8.884 11.347 559 HHC HEC 71 HAM HEC 71 -2.708 -9.062 6.366 560 HHD HEC 71 HBM HEC 71 0.105 -3.990 3.864 561 1HMA HEC 71 HM81 HEC 71 2.314 -7.684 13.070 562 2HMA HEC 71 HM82 HEC 71 3.889 -8.196 12.397 563 3HMA HEC 71 HM83 HEC 71 3.723 -6.627 13.196 564 1HAA HEC 71 HP71 HEC 71 5.186 -4.293 10.444 565 2HAA HEC 71 HP72 HEC 71 4.847 -4.762 12.139 566 1HBA HEC 71 HP73 HEC 71 5.805 -6.914 11.697 567 2HBA HEC 71 HP74 HEC 71 5.870 -6.487 9.946 568 1HMB HEC 71 HM11 HEC 71 0.471 -10.948 11.153 569 2HMB HEC 71 HM12 HEC 71 -1.254 -10.775 11.536 570 3HMB HEC 71 HM13 HEC 71 -0.705 -11.907 10.269 571 HAB HEC 71 HT2A HEC 71 -3.600 -10.054 8.014 572 1HBB HEC 71 HT21 HEC 71 -2.903 -12.124 10.089 573 2HBB HEC 71 HT22 HEC 71 -3.578 -10.513 10.461 574 3HBB HEC 71 HT23 HEC 71 -4.475 -11.651 9.452 575 1HMC HEC 71 HM31 HEC 71 -2.862 -9.026 3.976 576 2HMC HEC 71 HM32 HEC 71 -4.174 -8.165 4.774 577 3HMC HEC 71 HM33 HEC 71 -3.678 -7.728 3.113 578 HAC HEC 71 HT4A HEC 71 -1.545 -4.365 2.697 579 1HBC HEC 71 HT41 HEC 71 -3.838 -4.257 3.569 580 2HBC HEC 71 HT42 HEC 71 -3.690 -4.237 1.806 581 3HBC HEC 71 HT43 HEC 71 -4.241 -5.703 2.625 582 1HMD HEC 71 HM51 HEC 71 1.669 -2.642 3.367 583 2HMD HEC 71 HM52 HEC 71 1.700 -1.206 4.379 584 3HMD HEC 71 HM53 HEC 71 3.198 -2.045 4.007 585 1HAD HEC 71 HP61 HEC 71 4.031 -1.279 5.871 586 2HAD HEC 71 HP62 HEC 71 3.620 -1.202 7.542 587 1HBD HEC 71 HP63 HEC 71 5.353 -3.495 6.859 588 2HBD HEC 71 HP64 HEC 71 6.041 -1.933 6.387 Start of MODEL 12 1 1H ALA 1 1H ALA 1 8.995 2.917 -4.667 2 2H ALA 1 2H ALA 1 9.148 4.475 -4.264 3 3H ALA 1 3H ALA 1 7.900 4.007 -5.244 4 HA ALA 1 HA ALA 1 9.440 4.958 -6.711 5 1HB ALA 1 1HB ALA 1 11.541 3.292 -5.260 6 2HB ALA 1 2HB ALA 1 11.824 4.346 -6.660 7 3HB ALA 1 3HB ALA 1 11.306 5.042 -5.112 8 H ASP 2 H ASP 2 8.394 3.895 -8.440 9 HA ASP 2 HA ASP 2 7.644 2.396 -9.774 10 1HB ASP 2 1HB ASP 2 9.973 2.867 -10.509 11 2HB ASP 2 2HB ASP 2 10.485 1.322 -9.799 12 H VAL 3 H VAL 3 9.805 0.151 -7.998 13 HA VAL 3 HA VAL 3 7.442 -1.220 -6.960 14 HB VAL 3 HB VAL 3 8.366 -3.466 -7.310 15 1HG1 VAL 3 1HG1 VAL 3 6.593 -2.641 -8.801 16 2HG1 VAL 3 2HG1 VAL 3 7.813 -2.041 -9.943 17 3HG1 VAL 3 3HG1 VAL 3 7.657 -3.781 -9.615 18 1HG2 VAL 3 1HG2 VAL 3 10.001 -3.898 -9.116 19 2HG2 VAL 3 2HG2 VAL 3 10.316 -2.157 -9.255 20 3HG2 VAL 3 3HG2 VAL 3 10.732 -3.038 -7.762 21 H VAL 4 H VAL 4 7.743 -1.481 -4.791 22 HA VAL 4 HA VAL 4 10.506 -1.697 -3.720 23 HB VAL 4 HB VAL 4 8.456 0.330 -2.800 24 1HG1 VAL 4 1HG1 VAL 4 11.052 -0.552 -1.424 25 2HG1 VAL 4 2HG1 VAL 4 10.153 0.920 -1.015 26 3HG1 VAL 4 3HG1 VAL 4 9.427 -0.647 -0.731 27 1HG2 VAL 4 1HG2 VAL 4 10.308 1.918 -3.095 28 2HG2 VAL 4 2HG2 VAL 4 11.345 0.595 -3.678 29 3HG2 VAL 4 3HG2 VAL 4 9.908 1.077 -4.604 30 H THR 5 H THR 5 10.440 -2.571 -1.504 31 HA THR 5 HA THR 5 7.814 -3.455 -0.744 32 HB THR 5 HB THR 5 8.827 -5.608 -1.373 33 HG1 THR 5 HG1 THR 5 9.425 -5.240 1.364 34 1HG2 THR 5 1HG2 THR 5 11.033 -6.354 -0.563 35 2HG2 THR 5 2HG2 THR 5 11.161 -4.963 -1.643 36 3HG2 THR 5 3HG2 THR 5 11.341 -4.746 0.112 37 H TYR 6 H TYR 6 7.293 -3.332 1.259 38 HA TYR 6 HA TYR 6 8.936 -1.762 3.140 39 1HB TYR 6 1HB TYR 6 6.343 -3.239 3.667 40 2HB TYR 6 2HB TYR 6 7.093 -1.975 4.626 41 HD1 TYR 6 HD1 TYR 6 7.481 0.341 3.296 42 HD2 TYR 6 HD2 TYR 6 4.825 -2.740 1.939 43 HE1 TYR 6 HE1 TYR 6 6.244 1.977 1.909 44 HE2 TYR 6 HE2 TYR 6 3.557 -1.093 0.647 45 HH TYR 6 HH TYR 6 3.850 1.062 -0.280 46 H GLU 7 H GLU 7 10.807 -3.202 3.146 47 HA GLU 7 HA GLU 7 10.636 -5.948 3.705 48 1HB GLU 7 1HB GLU 7 12.991 -5.754 4.500 49 2HB GLU 7 2HB GLU 7 12.684 -5.161 2.867 50 1HG GLU 7 1HG GLU 7 12.791 -2.835 3.615 51 2HG GLU 7 2HG GLU 7 12.901 -3.347 5.310 52 H ASN 8 H ASN 8 10.195 -7.129 5.493 53 HA ASN 8 HA ASN 8 10.218 -6.015 8.162 54 1HB ASN 8 1HB ASN 8 7.885 -5.819 8.539 55 2HB ASN 8 2HB ASN 8 8.180 -4.973 7.028 56 1HD2 ASN 8 1HD2 ASN 8 7.042 -5.541 5.269 57 2HD2 ASN 8 2HD2 ASN 8 5.981 -6.941 5.180 58 H LYS 9 H LYS 9 9.037 -7.569 9.675 59 HA LYS 9 HA LYS 9 10.605 -9.948 9.364 60 1HB LYS 9 1HB LYS 9 10.086 -8.377 11.449 61 2HB LYS 9 2HB LYS 9 8.619 -9.320 11.576 62 1HG LYS 9 1HG LYS 9 10.138 -10.302 13.087 63 2HG LYS 9 2HG LYS 9 10.033 -11.412 11.722 64 1HD LYS 9 1HD LYS 9 12.322 -11.251 12.391 65 2HD LYS 9 2HD LYS 9 12.171 -10.456 10.818 66 1HE LYS 9 1HE LYS 9 12.205 -8.224 11.908 67 2HE LYS 9 2HE LYS 9 12.180 -8.981 13.509 68 1HZ LYS 9 1HZ LYS 9 14.348 -9.897 13.017 69 2HZ LYS 9 2HZ LYS 9 14.348 -9.195 11.525 70 3HZ LYS 9 3HZ LYS 9 14.356 -8.260 12.875 71 H LYS 10 H LYS 10 7.260 -9.177 8.805 72 HA LYS 10 HA LYS 10 6.181 -11.808 9.433 73 1HB LYS 10 1HB LYS 10 5.063 -9.733 7.503 74 2HB LYS 10 2HB LYS 10 4.148 -11.033 8.245 75 1HG LYS 10 1HG LYS 10 5.484 -8.884 9.916 76 2HG LYS 10 2HG LYS 10 3.969 -8.560 9.117 77 1HD LYS 10 1HD LYS 10 3.600 -9.218 11.405 78 2HD LYS 10 2HD LYS 10 2.848 -10.382 10.302 79 1HE LYS 10 1HE LYS 10 4.513 -12.037 10.791 80 2HE LYS 10 2HE LYS 10 5.610 -10.833 11.521 81 1HZ LYS 10 1HZ LYS 10 4.075 -10.637 13.334 82 2HZ LYS 10 2HZ LYS 10 3.052 -11.740 12.656 83 3HZ LYS 10 3HZ LYS 10 4.549 -12.197 13.150 84 H GLY 11 H GLY 11 7.085 -10.108 6.468 85 1HA GLY 11 1HA GLY 11 8.600 -12.006 5.235 86 2HA GLY 11 2HA GLY 11 6.953 -12.508 4.788 87 H ASN 12 H ASN 12 8.532 -9.327 5.339 88 HA ASN 12 HA ASN 12 8.574 -7.412 4.083 89 1HB ASN 12 1HB ASN 12 8.914 -9.586 1.995 90 2HB ASN 12 2HB ASN 12 8.759 -7.930 1.484 91 1HD2 ASN 12 1HD2 ASN 12 10.384 -9.084 4.531 92 2HD2 ASN 12 2HD2 ASN 12 11.951 -8.479 4.023 93 H VAL 13 H VAL 13 7.417 -6.367 1.977 94 HA VAL 13 HA VAL 13 4.845 -7.410 1.266 95 HB VAL 13 HB VAL 13 4.901 -4.744 2.751 96 1HG1 VAL 13 1HG1 VAL 13 3.657 -4.297 0.732 97 2HG1 VAL 13 2HG1 VAL 13 2.931 -5.910 0.754 98 3HG1 VAL 13 3HG1 VAL 13 2.435 -4.672 1.931 99 1HG2 VAL 13 1HG2 VAL 13 2.784 -5.760 3.804 100 2HG2 VAL 13 2HG2 VAL 13 3.398 -7.306 3.220 101 3HG2 VAL 13 3HG2 VAL 13 4.357 -6.289 4.344 102 H THR 14 H THR 14 5.445 -7.352 -0.893 103 HA THR 14 HA THR 14 6.805 -5.141 -2.117 104 HB THR 14 HB THR 14 4.997 -7.184 -3.454 105 HG1 THR 14 HG1 THR 14 7.679 -7.467 -2.580 106 1HG2 THR 14 1HG2 THR 14 5.873 -5.447 -4.965 107 2HG2 THR 14 2HG2 THR 14 7.524 -5.730 -4.374 108 3HG2 THR 14 3HG2 THR 14 6.668 -6.995 -5.282 109 H PHE 15 H PHE 15 5.958 -3.412 -3.322 110 HA PHE 15 HA PHE 15 3.067 -3.313 -3.812 111 1HB PHE 15 1HB PHE 15 2.858 -0.994 -3.117 112 2HB PHE 15 2HB PHE 15 3.209 -2.055 -1.764 113 HD1 PHE 15 HD1 PHE 15 5.690 -2.255 -0.994 114 HD2 PHE 15 HD2 PHE 15 4.098 1.034 -3.293 115 HE1 PHE 15 HE1 PHE 15 7.317 -0.737 0.040 116 HE2 PHE 15 HE2 PHE 15 5.705 2.563 -2.183 117 HZ PHE 15 HZ PHE 15 7.305 1.653 -0.484 118 H ASP 16 H ASP 16 2.787 -2.853 -5.885 119 HA ASP 16 HA ASP 16 5.055 -1.923 -7.482 120 1HB ASP 16 1HB ASP 16 3.643 -3.820 -8.213 121 2HB ASP 16 2HB ASP 16 2.276 -2.712 -8.401 122 H HIS 17 H HIS 17 5.401 0.085 -6.958 123 HA HIS 17 HA HIS 17 3.531 2.111 -6.230 124 1HB HIS 17 1HB HIS 17 5.926 2.028 -5.585 125 2HB HIS 17 2HB HIS 17 6.403 2.203 -7.256 126 HD1 HIS 17 HND HIS 17 6.375 4.587 -8.342 127 HD2 HIS 17 HD HIS 17 4.701 4.297 -4.500 128 HE1 HIS 17 HE HIS 17 6.054 6.971 -7.493 129 H LYS 18 H LYS 18 5.392 1.504 -9.203 130 HA LYS 18 HA LYS 18 4.397 3.596 -10.833 131 1HB LYS 18 1HB LYS 18 6.373 2.530 -11.492 132 2HB LYS 18 2HB LYS 18 5.694 0.899 -11.327 133 1HG LYS 18 1HG LYS 18 4.393 1.142 -13.318 134 2HG LYS 18 2HG LYS 18 4.699 2.898 -13.379 135 1HD LYS 18 1HD LYS 18 7.056 2.543 -13.833 136 2HD LYS 18 2HD LYS 18 6.946 0.840 -13.420 137 1HE LYS 18 1HE LYS 18 7.080 1.203 -15.894 138 2HE LYS 18 2HE LYS 18 5.650 0.294 -15.375 139 1HZ LYS 18 1HZ LYS 18 5.031 1.944 -16.984 140 2HZ LYS 18 2HZ LYS 18 4.351 2.300 -15.557 141 3HZ LYS 18 3HZ LYS 18 5.640 3.165 -16.050 142 H ALA 19 H ALA 19 3.364 0.115 -10.652 143 HA ALA 19 HA ALA 19 1.222 0.300 -12.454 144 1HB ALA 19 1HB ALA 19 1.927 -1.821 -11.472 145 2HB ALA 19 2HB ALA 19 1.383 -1.230 -9.863 146 3HB ALA 19 3HB ALA 19 0.201 -1.545 -11.148 147 H HIS 20 H HIS 20 1.076 0.746 -8.839 148 HA HIS 20 HA HIS 20 -1.722 1.355 -8.775 149 1HB HIS 20 1HB HIS 20 0.585 2.102 -6.939 150 2HB HIS 20 2HB HIS 20 -1.061 2.641 -6.661 151 HD1 HIS 20 HND HIS 20 0.796 -0.720 -6.975 152 HD2 HIS 20 HD HIS 20 -2.521 1.079 -5.133 153 HE1 HIS 20 HE HIS 20 -0.191 -2.450 -5.376 154 H ALA 21 H ALA 21 1.181 3.261 -9.409 155 HA ALA 21 HA ALA 21 -0.083 5.846 -9.351 156 1HB ALA 21 1HB ALA 21 1.831 6.709 -10.449 157 2HB ALA 21 2HB ALA 21 2.389 5.497 -9.256 158 3HB ALA 21 3HB ALA 21 2.374 5.115 -10.980 159 H GLU 22 H GLU 22 0.643 3.768 -12.198 160 HA GLU 22 HA GLU 22 -0.697 5.712 -13.915 161 1HB GLU 22 1HB GLU 22 -0.159 4.272 -15.778 162 2HB GLU 22 2HB GLU 22 1.214 4.627 -14.731 163 1HG GLU 22 1HG GLU 22 0.729 2.282 -13.662 164 2HG GLU 22 2HG GLU 22 -0.238 1.994 -15.113 165 H LYS 23 H LYS 23 -1.586 2.495 -12.624 166 HA LYS 23 HA LYS 23 -4.084 2.169 -13.826 167 1HB LYS 23 1HB LYS 23 -3.120 1.517 -11.011 168 2HB LYS 23 2HB LYS 23 -4.540 0.800 -11.761 169 1HG LYS 23 1HG LYS 23 -1.906 0.598 -13.275 170 2HG LYS 23 2HG LYS 23 -2.081 -0.353 -11.811 171 1HD LYS 23 1HD LYS 23 -4.349 -0.384 -13.739 172 2HD LYS 23 2HD LYS 23 -2.830 -1.150 -14.257 173 1HE LYS 23 1HE LYS 23 -2.726 -2.556 -12.251 174 2HE LYS 23 2HE LYS 23 -4.129 -1.738 -11.543 175 1HZ LYS 23 1HZ LYS 23 -4.392 -3.368 -13.999 176 2HZ LYS 23 2HZ LYS 23 -4.511 -3.920 -12.418 177 3HZ LYS 23 3HZ LYS 23 -5.553 -2.867 -12.872 178 H LEU 24 H LEU 24 -3.272 3.845 -10.731 179 HA LEU 24 HA LEU 24 -6.097 4.667 -10.444 180 1HB LEU 24 1HB LEU 24 -3.779 5.175 -8.568 181 2HB LEU 24 2HB LEU 24 -5.499 5.300 -8.224 182 HG LEU 24 HG LEU 24 -4.185 2.643 -8.989 183 1HD1 LEU 24 1HD1 LEU 24 -4.250 2.203 -6.523 184 2HD1 LEU 24 2HD1 LEU 24 -3.080 3.437 -7.027 185 3HD1 LEU 24 3HD1 LEU 24 -4.585 3.941 -6.287 186 1HD2 LEU 24 1HD2 LEU 24 -6.855 3.350 -7.703 187 2HD2 LEU 24 2HD2 LEU 24 -6.602 2.670 -9.324 188 3HD2 LEU 24 3HD2 LEU 24 -6.201 1.707 -7.896 189 H GLY 25 H GLY 25 -2.848 6.274 -10.613 190 1HA GLY 25 1HA GLY 25 -3.042 8.173 -12.236 191 2HA GLY 25 2HA GLY 25 -4.116 8.938 -11.044 192 H CYS 26 H CYS 26 -3.219 9.011 -8.845 193 HA CYS 26 HA CYS 26 -0.579 8.910 -7.979 194 1HB CYS 26 1HB CYS 26 -0.556 10.861 -9.974 195 2HB CYS 26 2HB CYS 26 -1.065 11.808 -8.601 196 H ASP 27 H ASP 27 -3.404 10.899 -8.269 197 HA ASP 27 HA ASP 27 -3.562 12.387 -5.962 198 1HB ASP 27 1HB ASP 27 -5.972 11.046 -7.276 199 2HB ASP 27 2HB ASP 27 -5.867 12.652 -6.552 200 H ALA 28 H ALA 28 -4.508 9.138 -6.657 201 HA ALA 28 HA ALA 28 -5.962 8.159 -4.597 202 1HB ALA 28 1HB ALA 28 -5.274 6.869 -6.537 203 2HB ALA 28 2HB ALA 28 -3.575 6.896 -6.013 204 3HB ALA 28 3HB ALA 28 -4.780 6.002 -5.066 205 H CYS 29 H CYS 29 -2.455 8.811 -4.516 206 HA CYS 29 HA CYS 29 -2.410 8.101 -1.587 207 1HB CYS 29 1HB CYS 29 -0.221 7.722 -3.617 208 2HB CYS 29 2HB CYS 29 -0.168 7.295 -1.896 209 H HIS 30 H HIS 30 -1.125 10.247 -4.178 210 HA HIS 30 HA HIS 30 0.330 11.802 -2.053 211 1HB HIS 30 1HB HIS 30 0.805 11.492 -5.019 212 2HB HIS 30 2HB HIS 30 1.662 12.619 -3.984 213 HD1 HIS 30 HND HIS 30 3.069 11.386 -1.897 214 HD2 HIS 30 HD HIS 30 2.007 9.255 -5.305 215 HE1 HIS 30 HE HIS 30 4.831 9.445 -2.199 216 H GLU 31 H GLU 31 -1.672 12.862 -1.504 217 HA GLU 31 HA GLU 31 -2.889 14.700 -3.416 218 1HB GLU 31 1HB GLU 31 -3.102 15.032 -0.377 219 2HB GLU 31 2HB GLU 31 -4.217 15.483 -1.665 220 1HG GLU 31 1HG GLU 31 -4.411 12.995 -2.136 221 2HG GLU 31 2HG GLU 31 -3.582 12.700 -0.603 222 H GLY 32 H GLY 32 -1.077 15.168 -0.476 223 1HA GLY 32 1HA GLY 32 -0.707 17.960 -0.730 224 2HA GLY 32 2HA GLY 32 0.192 16.924 0.388 225 H THR 33 H THR 33 1.993 15.567 -0.740 226 HA THR 33 HA THR 33 3.148 16.573 -3.143 227 HB THR 33 HB THR 33 3.802 18.475 -1.753 228 HG1 THR 33 HG1 THR 33 5.352 17.944 -3.172 229 1HG2 THR 33 1HG2 THR 33 3.723 17.401 0.500 230 2HG2 THR 33 2HG2 THR 33 5.212 16.514 0.109 231 3HG2 THR 33 3HG2 THR 33 5.228 18.280 0.195 232 HA PRO 34 HA PRO 34 4.712 12.440 -2.275 233 1HB PRO 34 1HB PRO 34 5.962 11.821 -4.559 234 2HB PRO 34 2HB PRO 34 4.217 12.168 -4.587 235 1HG PRO 34 1HG PRO 34 6.468 14.100 -5.145 236 2HG PRO 34 2HG PRO 34 5.040 13.739 -6.167 237 1HD PRO 34 1HD PRO 34 5.090 15.876 -4.465 238 2HD PRO 34 2HD PRO 34 3.594 14.933 -4.753 239 H ALA 35 H ALA 35 5.960 14.158 -0.735 240 HA ALA 35 HA ALA 35 8.892 13.934 -1.134 241 1HB ALA 35 1HB ALA 35 7.209 14.958 1.181 242 2HB ALA 35 2HB ALA 35 8.978 15.109 1.014 243 3HB ALA 35 3HB ALA 35 7.897 15.937 -0.135 244 H LYS 36 H LYS 36 7.829 11.528 -1.440 245 HA LYS 36 HA LYS 36 7.110 9.595 -0.784 246 1HB LYS 36 1HB LYS 36 8.687 8.246 0.331 247 2HB LYS 36 2HB LYS 36 9.385 9.435 -0.795 248 1HG LYS 36 1HG LYS 36 10.439 10.616 0.964 249 2HG LYS 36 2HG LYS 36 9.526 9.758 2.218 250 1HD LYS 36 1HD LYS 36 11.932 8.906 1.802 251 2HD LYS 36 2HD LYS 36 10.659 7.668 1.764 252 1HE LYS 36 1HE LYS 36 10.599 7.773 -0.726 253 2HE LYS 36 2HE LYS 36 11.816 9.046 -0.708 254 1HZ LYS 36 1HZ LYS 36 11.806 6.170 -0.318 255 2HZ LYS 36 2HZ LYS 36 12.702 7.091 -1.315 256 3HZ LYS 36 3HZ LYS 36 13.147 7.019 0.287 257 H ILE 37 H ILE 37 6.905 7.958 1.214 258 HA ILE 37 HA ILE 37 5.045 9.400 3.096 259 HB ILE 37 HB ILE 37 4.385 6.689 1.975 260 1HG1 ILE 37 1HG1 ILE 37 3.842 9.364 0.662 261 2HG1 ILE 37 2HG1 ILE 37 4.664 7.936 -0.003 262 1HG2 ILE 37 1HG2 ILE 37 3.204 7.628 4.001 263 2HG2 ILE 37 2HG2 ILE 37 2.660 8.991 3.006 264 3HG2 ILE 37 3HG2 ILE 37 2.114 7.343 2.644 265 1HD1 ILE 37 1HD1 ILE 37 2.468 8.046 -0.986 266 2HD1 ILE 37 2HD1 ILE 37 2.433 6.708 0.176 267 3HD1 ILE 37 3HD1 ILE 37 1.690 8.272 0.580 268 H ALA 38 H ALA 38 6.859 6.494 2.525 269 HA ALA 38 HA ALA 38 7.877 4.956 3.884 270 1HB ALA 38 1HB ALA 38 8.815 5.634 6.002 271 2HB ALA 38 2HB ALA 38 9.096 6.915 4.786 272 3HB ALA 38 3HB ALA 38 7.835 7.104 6.036 273 H ILE 39 H ILE 39 5.324 4.529 3.514 274 HA ILE 39 HA ILE 39 3.756 4.089 5.931 275 HB ILE 39 HB ILE 39 3.817 2.793 3.162 276 1HG1 ILE 39 1HG1 ILE 39 3.164 5.112 3.099 277 2HG1 ILE 39 2HG1 ILE 39 1.809 4.048 2.768 278 1HG2 ILE 39 1HG2 ILE 39 1.539 1.916 3.840 279 2HG2 ILE 39 2HG2 ILE 39 2.912 1.127 4.600 280 3HG2 ILE 39 3HG2 ILE 39 1.975 2.328 5.512 281 1HD1 ILE 39 1HD1 ILE 39 1.107 4.419 5.230 282 2HD1 ILE 39 2HD1 ILE 39 2.337 5.693 5.277 283 3HD1 ILE 39 3HD1 ILE 39 0.976 5.815 4.154 284 H ASP 40 H ASP 40 4.359 2.896 7.475 285 HA ASP 40 HA ASP 40 5.126 0.105 6.890 286 1HB ASP 40 1HB ASP 40 6.864 0.030 8.524 287 2HB ASP 40 2HB ASP 40 7.204 1.364 7.464 288 H LYS 41 H LYS 41 5.188 -0.926 9.316 289 HA LYS 41 HA LYS 41 3.152 -1.611 10.591 290 1HB LYS 41 1HB LYS 41 4.395 -1.154 12.775 291 2HB LYS 41 2HB LYS 41 5.021 -2.251 11.562 292 1HG LYS 41 1HG LYS 41 6.516 -0.386 10.701 293 2HG LYS 41 2HG LYS 41 5.828 0.702 11.892 294 1HD LYS 41 1HD LYS 41 8.024 -0.108 12.457 295 2HD LYS 41 2HD LYS 41 6.824 -0.625 13.663 296 1HE LYS 41 1HE LYS 41 8.574 -2.399 12.956 297 2HE LYS 41 2HE LYS 41 6.877 -2.869 12.948 298 1HZ LYS 41 1HZ LYS 41 7.807 -3.686 11.072 299 2HZ LYS 41 2HZ LYS 41 6.855 -2.512 10.527 300 3HZ LYS 41 3HZ LYS 41 8.457 -2.275 10.493 301 H LYS 42 H LYS 42 1.387 -0.837 11.073 302 HA LYS 42 HA LYS 42 -0.241 0.276 12.255 303 1HB LYS 42 1HB LYS 42 1.581 2.667 12.708 304 2HB LYS 42 2HB LYS 42 -0.002 2.353 13.403 305 1HG LYS 42 1HG LYS 42 0.816 0.382 14.601 306 2HG LYS 42 2HG LYS 42 2.387 0.493 13.832 307 1HD LYS 42 1HD LYS 42 2.815 1.332 15.893 308 2HD LYS 42 2HD LYS 42 2.723 2.761 14.853 309 1HE LYS 42 1HE LYS 42 0.424 3.221 15.680 310 2HE LYS 42 2HE LYS 42 0.436 1.711 16.610 311 1HZ LYS 42 1HZ LYS 42 2.214 4.010 17.085 312 2HZ LYS 42 2HZ LYS 42 0.916 3.581 18.001 313 3HZ LYS 42 3HZ LYS 42 2.229 2.597 17.931 314 H SER 43 H SER 43 1.615 2.775 10.255 315 HA SER 43 HA SER 43 -0.712 3.995 9.287 316 1HB SER 43 1HB SER 43 1.972 3.716 7.882 317 2HB SER 43 2HB SER 43 0.747 4.983 7.631 318 HG SER 43 HG SER 43 1.085 5.629 9.786 319 H ALA 44 H ALA 44 1.284 1.479 7.780 320 HA ALA 44 HA ALA 44 0.145 0.804 5.428 321 1HB ALA 44 1HB ALA 44 0.728 -1.503 5.959 322 2HB ALA 44 2HB ALA 44 2.032 -0.354 6.364 323 3HB ALA 44 3HB ALA 44 1.031 -1.057 7.651 324 H HIS 45 H HIS 45 -0.985 -0.429 8.546 325 HA HIS 45 HA HIS 45 -3.282 -1.812 7.356 326 1HB HIS 45 1HB HIS 45 -2.221 -1.460 10.190 327 2HB HIS 45 2HB HIS 45 -3.686 -2.345 9.799 328 HD1 HIS 45 HND HIS 45 -2.261 -4.167 11.222 329 HD2 HIS 45 HD HIS 45 -0.981 -3.370 7.282 330 HE1 HIS 45 HE HIS 45 -0.917 -6.168 10.475 331 H LYS 46 H LYS 46 -2.590 1.187 9.102 332 HA LYS 46 HA LYS 46 -5.234 1.532 10.175 333 1HB LYS 46 1HB LYS 46 -3.258 2.306 11.285 334 2HB LYS 46 2HB LYS 46 -2.807 3.350 9.942 335 1HG LYS 46 1HG LYS 46 -5.380 3.727 11.529 336 2HG LYS 46 2HG LYS 46 -3.808 4.388 12.035 337 1HD LYS 46 1HD LYS 46 -3.644 5.427 9.717 338 2HD LYS 46 2HD LYS 46 -5.388 5.088 9.559 339 1HE LYS 46 1HE LYS 46 -5.798 6.486 11.593 340 2HE LYS 46 2HE LYS 46 -4.057 6.836 11.664 341 1HZ LYS 46 1HZ LYS 46 -4.276 7.729 9.383 342 2HZ LYS 46 2HZ LYS 46 -5.882 7.572 9.472 343 3HZ LYS 46 3HZ LYS 46 -5.116 8.606 10.505 344 H ASP 47 H ASP 47 -3.419 3.455 7.713 345 HA ASP 47 HA ASP 47 -6.011 3.988 6.312 346 1HB ASP 47 1HB ASP 47 -5.191 6.309 5.902 347 2HB ASP 47 2HB ASP 47 -5.681 5.960 7.545 348 H ALA 48 H ALA 48 -2.693 3.000 5.900 349 HA ALA 48 HA ALA 48 -2.502 4.128 3.285 350 1HB ALA 48 1HB ALA 48 -0.422 3.342 3.208 351 2HB ALA 48 2HB ALA 48 -0.667 3.108 4.955 352 3HB ALA 48 3HB ALA 48 -0.832 1.751 3.830 353 H CYS 49 H CYS 49 -2.563 0.597 3.946 354 HA CYS 49 HA CYS 49 -3.538 0.148 1.215 355 1HB CYS 49 1HB CYS 49 -2.742 -1.974 3.141 356 2HB CYS 49 2HB CYS 49 -2.560 -1.939 1.391 357 H LYS 50 H LYS 50 -4.408 -0.879 4.545 358 HA LYS 50 HA LYS 50 -6.595 -2.519 3.584 359 1HB LYS 50 1HB LYS 50 -5.762 -1.749 6.402 360 2HB LYS 50 2HB LYS 50 -6.982 -2.964 6.012 361 1HG LYS 50 1HG LYS 50 -5.292 -4.240 4.724 362 2HG LYS 50 2HG LYS 50 -4.056 -3.074 5.267 363 1HD LYS 50 1HD LYS 50 -4.593 -3.668 7.639 364 2HD LYS 50 2HD LYS 50 -5.764 -4.873 7.068 365 1HE LYS 50 1HE LYS 50 -4.026 -6.087 5.857 366 2HE LYS 50 2HE LYS 50 -2.844 -4.805 6.197 367 1HZ LYS 50 1HZ LYS 50 -3.832 -6.827 8.051 368 2HZ LYS 50 2HZ LYS 50 -2.281 -6.369 7.673 369 3HZ LYS 50 3HZ LYS 50 -3.203 -5.393 8.584 370 H THR 51 H THR 51 -7.079 0.090 2.769 371 HA THR 51 HA THR 51 -9.756 0.473 3.981 372 HB THR 51 HB THR 51 -8.477 2.181 5.050 373 HG1 THR 51 HG1 THR 51 -9.928 3.462 3.001 374 1HG2 THR 51 1HG2 THR 51 -6.591 2.482 3.430 375 2HG2 THR 51 2HG2 THR 51 -7.692 3.398 2.367 376 3HG2 THR 51 3HG2 THR 51 -7.345 3.981 3.988 377 H CYS 52 H CYS 52 -7.585 1.648 1.387 378 HA CYS 52 HA CYS 52 -9.327 1.626 -0.818 379 1HB CYS 52 1HB CYS 52 -6.393 1.281 -0.276 380 2HB CYS 52 2HB CYS 52 -7.005 0.576 -1.764 381 H HIS 53 H HIS 53 -7.152 -1.009 0.331 382 HA HIS 53 HA HIS 53 -8.121 -2.861 -1.613 383 1HB HIS 53 1HB HIS 53 -6.628 -3.184 1.009 384 2HB HIS 53 2HB HIS 53 -7.138 -4.550 0.010 385 HD1 HIS 53 HND HIS 53 -4.594 -5.175 -0.199 386 HD2 HIS 53 HD HIS 53 -5.721 -1.560 -2.065 387 HE1 HIS 53 HE HIS 53 -2.744 -4.520 -1.766 388 H LYS 54 H LYS 54 -9.201 -2.081 1.683 389 HA LYS 54 HA LYS 54 -11.153 -4.277 1.803 390 1HB LYS 54 1HB LYS 54 -10.561 -1.955 3.630 391 2HB LYS 54 2HB LYS 54 -11.856 -3.131 3.868 392 1HG LYS 54 1HG LYS 54 -10.017 -4.983 3.625 393 2HG LYS 54 2HG LYS 54 -8.867 -3.649 3.699 394 1HD LYS 54 1HD LYS 54 -8.916 -4.243 5.887 395 2HD LYS 54 2HD LYS 54 -10.136 -2.970 5.879 396 1HE LYS 54 1HE LYS 54 -10.591 -6.012 5.823 397 2HE LYS 54 2HE LYS 54 -10.808 -4.959 7.226 398 1HZ LYS 54 1HZ LYS 54 -12.895 -5.442 6.215 399 2HZ LYS 54 2HZ LYS 54 -12.577 -3.840 6.019 400 3HZ LYS 54 3HZ LYS 54 -12.401 -4.877 4.754 401 H SER 55 H SER 55 -11.702 -3.288 -0.441 402 HA SER 55 HA SER 55 -14.362 -2.407 -0.524 403 1HB SER 55 1HB SER 55 -12.298 -0.195 -0.980 404 2HB SER 55 2HB SER 55 -13.885 -0.194 -1.770 405 HG SER 55 HG SER 55 -13.540 -0.394 1.034 406 H ASN 56 H ASN 56 -11.201 -1.999 -2.207 407 HA ASN 56 HA ASN 56 -12.279 -2.742 -4.792 408 1HB ASN 56 1HB ASN 56 -9.432 -2.551 -3.727 409 2HB ASN 56 2HB ASN 56 -9.834 -3.013 -5.383 410 1HD2 ASN 56 1HD2 ASN 56 -9.952 -0.304 -3.055 411 2HD2 ASN 56 2HD2 ASN 56 -10.207 0.917 -4.293 412 H ASN 57 H ASN 57 -10.753 -4.608 -2.156 413 HA ASN 57 HA ASN 57 -10.859 -7.088 -3.825 414 1HB ASN 57 1HB ASN 57 -8.565 -6.242 -3.616 415 2HB ASN 57 2HB ASN 57 -8.756 -6.093 -1.862 416 1HD2 ASN 57 1HD2 ASN 57 -8.773 -8.512 -4.538 417 2HD2 ASN 57 2HD2 ASN 57 -8.251 -9.841 -3.520 418 H GLY 58 H GLY 58 -11.158 -9.045 -2.683 419 1HA GLY 58 1HA GLY 58 -12.589 -8.859 -0.060 420 2HA GLY 58 2HA GLY 58 -12.731 -10.115 -1.275 421 HA PRO 59 HA PRO 59 -8.554 -11.047 1.000 422 1HB PRO 59 1HB PRO 59 -8.230 -10.044 3.516 423 2HB PRO 59 2HB PRO 59 -7.765 -9.128 2.054 424 1HG PRO 59 1HG PRO 59 -10.361 -8.910 3.611 425 2HG PRO 59 2HG PRO 59 -9.253 -7.581 3.145 426 1HD PRO 59 1HD PRO 59 -11.435 -8.177 1.664 427 2HD PRO 59 2HD PRO 59 -9.898 -7.741 0.862 428 H THR 60 H THR 60 -8.233 -12.388 3.128 429 HA THR 60 HA THR 60 -10.746 -13.434 4.260 430 HB THR 60 HB THR 60 -8.966 -15.120 2.448 431 HG1 THR 60 HG1 THR 60 -11.182 -13.685 2.018 432 1HG2 THR 60 1HG2 THR 60 -10.588 -16.939 2.908 433 2HG2 THR 60 2HG2 THR 60 -9.684 -16.493 4.363 434 3HG2 THR 60 3HG2 THR 60 -11.359 -15.936 4.153 435 H LYS 61 H LYS 61 -7.209 -14.124 3.906 436 HA LYS 61 HA LYS 61 -6.913 -13.972 6.806 437 1HB LYS 61 1HB LYS 61 -6.149 -16.211 7.199 438 2HB LYS 61 2HB LYS 61 -7.817 -16.194 6.661 439 1HG LYS 61 1HG LYS 61 -7.330 -17.713 5.099 440 2HG LYS 61 2HG LYS 61 -6.331 -16.515 4.280 441 1HD LYS 61 1HD LYS 61 -4.461 -17.238 6.015 442 2HD LYS 61 2HD LYS 61 -5.535 -18.588 6.379 443 1HE LYS 61 1HE LYS 61 -3.910 -19.346 4.782 444 2HE LYS 61 2HE LYS 61 -5.457 -19.234 3.929 445 1HZ LYS 61 1HZ LYS 61 -3.334 -17.169 3.883 446 2HZ LYS 61 2HZ LYS 61 -3.586 -18.284 2.695 447 3HZ LYS 61 3HZ LYS 61 -4.717 -17.133 3.013 448 H CYS 62 H CYS 62 -5.565 -12.341 6.367 449 HA CYS 62 HA CYS 62 -3.904 -11.122 5.539 450 1HB CYS 62 1HB CYS 62 -2.216 -13.494 6.344 451 2HB CYS 62 2HB CYS 62 -1.732 -11.785 6.337 452 H GLY 63 H GLY 63 -1.343 -12.613 4.453 453 1HA GLY 63 1HA GLY 63 -0.589 -13.636 2.556 454 2HA GLY 63 2HA GLY 63 -2.257 -14.017 2.122 455 H GLY 64 H GLY 64 -3.288 -11.418 1.919 456 1HA GLY 64 1HA GLY 64 -3.087 -10.773 -0.677 457 2HA GLY 64 2HA GLY 64 -3.461 -9.578 0.580 458 H CYS 65 H CYS 65 -0.790 -9.647 1.762 459 HA CYS 65 HA CYS 65 0.675 -7.997 -0.269 460 1HB CYS 65 1HB CYS 65 0.234 -7.248 2.596 461 2HB CYS 65 2HB CYS 65 0.834 -6.222 1.295 462 H HIS 66 H HIS 66 0.901 -9.346 3.083 463 HA HIS 66 HA HIS 66 3.789 -9.660 2.934 464 1HB HIS 66 1HB HIS 66 1.777 -11.107 4.716 465 2HB HIS 66 2HB HIS 66 3.523 -11.057 4.917 466 HD1 HIS 66 HND HIS 66 4.509 -8.404 5.300 467 HD2 HIS 66 HD HIS 66 0.447 -9.225 6.012 468 HE1 HIS 66 HE HIS 66 3.612 -6.590 6.893 469 H ILE 67 H ILE 67 4.798 -11.206 1.699 470 HA ILE 67 HA ILE 67 3.221 -13.284 0.413 471 HB ILE 67 HB ILE 67 6.233 -12.905 0.423 472 1HG1 ILE 67 1HG1 ILE 67 5.326 -10.787 -0.279 473 2HG1 ILE 67 2HG1 ILE 67 5.941 -11.646 -1.679 474 1HG2 ILE 67 1HG2 ILE 67 4.339 -14.315 -1.512 475 2HG2 ILE 67 2HG2 ILE 67 6.059 -13.998 -1.823 476 3HG2 ILE 67 3HG2 ILE 67 5.583 -15.067 -0.504 477 1HD1 ILE 67 1HD1 ILE 67 2.997 -11.392 -0.903 478 2HD1 ILE 67 2HD1 ILE 67 3.835 -10.539 -2.203 479 3HD1 ILE 67 3HD1 ILE 67 3.612 -12.291 -2.310 480 H LYS 68 H LYS 68 2.453 -14.041 2.664 481 HA LYS 68 HA LYS 68 3.500 -16.631 3.098 482 1HB LYS 68 1HB LYS 68 4.144 -16.372 5.480 483 2HB LYS 68 2HB LYS 68 5.259 -15.540 4.422 484 1HG LYS 68 1HG LYS 68 4.910 -13.604 5.408 485 2HG LYS 68 2HG LYS 68 3.181 -13.641 5.120 486 1HD LYS 68 1HD LYS 68 4.545 -15.017 7.492 487 2HD LYS 68 2HD LYS 68 3.926 -13.375 7.500 488 1HE LYS 68 1HE LYS 68 2.196 -14.575 8.498 489 2HE LYS 68 2HE LYS 68 1.629 -14.251 6.853 490 1HZ LYS 68 1HZ LYS 68 2.143 -16.495 6.270 491 2HZ LYS 68 2HZ LYS 68 2.802 -16.818 7.743 492 3HZ LYS 68 3HZ LYS 68 1.190 -16.499 7.563 493 HHA HEC 69 HCM HEC 69 8.228 7.229 -2.096 494 HHB HEC 69 HDM HEC 69 6.568 10.789 -7.105 495 HHC HEC 69 HAM HEC 69 1.265 7.185 -7.734 496 HHD HEC 69 HBM HEC 69 2.361 4.865 -1.891 497 1HMA HEC 69 HM81 HEC 69 8.948 10.734 -6.953 498 2HMA HEC 69 HM82 HEC 69 8.541 11.867 -5.632 499 3HMA HEC 69 HM83 HEC 69 9.989 10.852 -5.532 500 1HAA HEC 69 HP71 HEC 69 10.256 10.010 -3.383 501 2HAA HEC 69 HP72 HEC 69 9.914 8.456 -2.635 502 1HBA HEC 69 HP73 HEC 69 10.716 7.215 -4.481 503 2HBA HEC 69 HP74 HEC 69 10.970 8.680 -5.439 504 1HMB HEC 69 HM11 HEC 69 3.830 11.805 -9.143 505 2HMB HEC 69 HM12 HEC 69 5.524 11.600 -8.747 506 3HMB HEC 69 HM13 HEC 69 4.848 10.697 -10.104 507 HAB HEC 69 HT2A HEC 69 1.197 8.711 -9.223 508 1HBB HEC 69 HT21 HEC 69 2.835 9.137 -11.102 509 2HBB HEC 69 HT22 HEC 69 1.240 9.881 -11.227 510 3HBB HEC 69 HT23 HEC 69 2.612 10.874 -10.774 511 1HMC HEC 69 HM31 HEC 69 -1.238 5.170 -5.777 512 2HMC HEC 69 HM32 HEC 69 -0.803 6.652 -6.627 513 3HMC HEC 69 HM33 HEC 69 -0.182 5.077 -7.188 514 HAC HEC 69 HT4A HEC 69 0.314 4.654 -2.257 515 1HBC HEC 69 HT41 HEC 69 0.459 2.712 -3.890 516 2HBC HEC 69 HT42 HEC 69 -0.989 2.819 -2.875 517 3HBC HEC 69 HT43 HEC 69 -1.072 3.308 -4.562 518 1HMD HEC 69 HM51 HEC 69 3.759 3.611 -0.628 519 2HMD HEC 69 HM52 HEC 69 5.204 3.814 0.358 520 3HMD HEC 69 HM53 HEC 69 3.792 4.861 0.624 521 1HAD HEC 69 HP61 HEC 69 7.949 6.383 -0.122 522 2HAD HEC 69 HP62 HEC 69 6.909 5.282 0.686 523 1HBD HEC 69 HP63 HEC 69 8.604 3.848 0.217 524 2HBD HEC 69 HP64 HEC 69 7.716 3.662 -1.305 525 HHA HEC 70 HCM HEC 70 -3.393 -5.159 -6.624 526 HHB HEC 70 HDM HEC 70 0.557 -4.243 -1.643 527 HHC HEC 70 HAM HEC 70 -2.265 1.380 -0.488 528 HHD HEC 70 HBM HEC 70 -6.383 0.301 -5.208 529 1HMA HEC 70 HM81 HEC 70 1.452 -5.893 -3.057 530 2HMA HEC 70 HM82 HEC 70 0.170 -7.029 -2.566 531 3HMA HEC 70 HM83 HEC 70 0.855 -7.096 -4.203 532 1HAA HEC 70 HP71 HEC 70 -1.229 -7.816 -5.017 533 2HAA HEC 70 HP72 HEC 70 -2.596 -7.151 -5.880 534 1HBA HEC 70 HP73 HEC 70 -1.081 -6.237 -7.607 535 2HBA HEC 70 HP74 HEC 70 0.312 -6.877 -6.717 536 1HMB HEC 70 HM11 HEC 70 1.383 -2.035 1.251 537 2HMB HEC 70 HM12 HEC 70 0.528 -3.537 0.871 538 3HMB HEC 70 HM13 HEC 70 1.865 -2.987 -0.160 539 HAB HEC 70 HT2A HEC 70 -1.092 0.955 1.109 540 1HBB HEC 70 HT21 HEC 70 1.707 0.133 1.669 541 2HBB HEC 70 HT22 HEC 70 1.345 1.021 0.170 542 3HBB HEC 70 HT23 HEC 70 0.924 1.714 1.731 543 1HMC HEC 70 HM31 HEC 70 -4.476 3.105 -0.512 544 2HMC HEC 70 HM32 HEC 70 -2.987 3.458 -1.419 545 3HMC HEC 70 HM33 HEC 70 -4.542 4.024 -2.024 546 HAC HEC 70 HT4A HEC 70 -7.263 1.667 -3.774 547 1HBC HEC 70 HT41 HEC 70 -5.671 4.203 -4.116 548 2HBC HEC 70 HT42 HEC 70 -6.382 3.147 -5.374 549 3HBC HEC 70 HT43 HEC 70 -7.432 4.091 -4.316 550 1HMD HEC 70 HM51 HEC 70 -7.910 -2.476 -7.137 551 2HMD HEC 70 HM52 HEC 70 -7.817 -1.051 -6.127 552 3HMD HEC 70 HM53 HEC 70 -7.188 -0.972 -7.777 553 1HAD HEC 70 HP61 HEC 70 -4.413 -4.138 -8.512 554 2HAD HEC 70 HP62 HEC 70 -5.870 -4.919 -7.888 555 1HBD HEC 70 HP63 HEC 70 -7.284 -3.349 -9.005 556 2HBD HEC 70 HP64 HEC 70 -5.951 -2.188 -9.203 557 HHA HEC 71 HCM HEC 71 3.904 -3.959 9.027 558 HHB HEC 71 HDM HEC 71 0.604 -8.897 11.426 559 HHC HEC 71 HAM HEC 71 -2.752 -9.242 6.000 560 HHD HEC 71 HBM HEC 71 0.386 -4.194 3.734 561 1HMA HEC 71 HM81 HEC 71 1.881 -8.157 13.031 562 2HMA HEC 71 HM82 HEC 71 3.523 -7.479 13.089 563 3HMA HEC 71 HM83 HEC 71 2.127 -6.460 13.455 564 1HAA HEC 71 HP71 HEC 71 4.851 -4.483 10.892 565 2HAA HEC 71 HP72 HEC 71 4.539 -5.310 12.409 566 1HBA HEC 71 HP73 HEC 71 5.350 -7.399 11.500 567 2HBA HEC 71 HP74 HEC 71 5.474 -6.674 9.872 568 1HMB HEC 71 HM11 HEC 71 -1.711 -10.303 11.723 569 2HMB HEC 71 HM12 HEC 71 -1.828 -11.655 10.575 570 3HMB HEC 71 HM13 HEC 71 -0.244 -11.072 11.068 571 HAB HEC 71 HT2A HEC 71 -3.928 -10.170 7.573 572 1HBB HEC 71 HT21 HEC 71 -4.516 -9.285 9.782 573 2HBB HEC 71 HT22 HEC 71 -5.301 -10.822 9.387 574 3HBB HEC 71 HT23 HEC 71 -3.954 -10.794 10.524 575 1HMC HEC 71 HM31 HEC 71 -2.830 -9.134 3.605 576 2HMC HEC 71 HM32 HEC 71 -4.129 -8.076 4.198 577 3HMC HEC 71 HM33 HEC 71 -3.369 -7.772 2.629 578 HAC HEC 71 HT4A HEC 71 -1.212 -4.517 2.445 579 1HBC HEC 71 HT41 HEC 71 -3.362 -4.238 1.536 580 2HBC HEC 71 HT42 HEC 71 -4.027 -5.616 2.442 581 3HBC HEC 71 HT43 HEC 71 -3.473 -4.161 3.292 582 1HMD HEC 71 HM51 HEC 71 3.048 -1.621 4.419 583 2HMD HEC 71 HM52 HEC 71 3.086 -3.093 3.437 584 3HMD HEC 71 HM53 HEC 71 1.549 -2.264 3.764 585 1HAD HEC 71 HP61 HEC 71 4.675 -2.029 5.842 586 2HAD HEC 71 HP62 HEC 71 4.220 -1.949 7.534 587 1HBD HEC 71 HP63 HEC 71 5.386 -4.494 7.275 588 2HBD HEC 71 HP64 HEC 71 6.341 -3.497 6.191 Start of MODEL 13 1 1H ALA 1 1H ALA 1 8.795 3.574 -4.214 2 2H ALA 1 2H ALA 1 9.304 5.160 -4.115 3 3H ALA 1 3H ALA 1 7.895 4.786 -4.876 4 HA ALA 1 HA ALA 1 9.471 5.202 -6.536 5 1HB ALA 1 1HB ALA 1 11.589 3.922 -6.646 6 2HB ALA 1 2HB ALA 1 11.502 4.906 -5.173 7 3HB ALA 1 3HB ALA 1 11.216 3.157 -5.090 8 H ASP 2 H ASP 2 9.728 3.736 -8.506 9 HA ASP 2 HA ASP 2 7.479 2.216 -8.969 10 1HB ASP 2 1HB ASP 2 8.766 1.687 -11.083 11 2HB ASP 2 2HB ASP 2 8.477 3.395 -10.716 12 H VAL 3 H VAL 3 7.544 0.796 -7.142 13 HA VAL 3 HA VAL 3 7.082 -1.383 -6.756 14 HB VAL 3 HB VAL 3 9.192 -2.315 -8.739 15 1HG1 VAL 3 1HG1 VAL 3 6.841 -3.701 -7.376 16 2HG1 VAL 3 2HG1 VAL 3 7.942 -4.426 -8.565 17 3HG1 VAL 3 3HG1 VAL 3 8.557 -3.939 -6.980 18 1HG2 VAL 3 1HG2 VAL 3 7.160 -2.834 -10.170 19 2HG2 VAL 3 2HG2 VAL 3 6.202 -1.829 -9.066 20 3HG2 VAL 3 3HG2 VAL 3 7.496 -1.108 -10.036 21 H VAL 4 H VAL 4 7.668 -1.254 -4.685 22 HA VAL 4 HA VAL 4 10.535 -1.727 -3.942 23 HB VAL 4 HB VAL 4 8.583 0.269 -2.791 24 1HG1 VAL 4 1HG1 VAL 4 10.282 0.677 -0.997 25 2HG1 VAL 4 2HG1 VAL 4 9.555 -0.917 -0.836 26 3HG1 VAL 4 3HG1 VAL 4 11.178 -0.757 -1.529 27 1HG2 VAL 4 1HG2 VAL 4 10.468 1.810 -3.110 28 2HG2 VAL 4 2HG2 VAL 4 11.485 0.476 -3.695 29 3HG2 VAL 4 3HG2 VAL 4 10.083 0.999 -4.644 30 H THR 5 H THR 5 10.679 -2.780 -1.828 31 HA THR 5 HA THR 5 8.129 -3.652 -0.840 32 HB THR 5 HB THR 5 8.972 -5.721 -1.958 33 HG1 THR 5 HG1 THR 5 8.195 -5.534 0.367 34 1HG2 THR 5 1HG2 THR 5 11.060 -6.813 -1.281 35 2HG2 THR 5 2HG2 THR 5 11.402 -5.238 -2.020 36 3HG2 THR 5 3HG2 THR 5 11.490 -5.435 -0.254 37 H TYR 6 H TYR 6 7.884 -3.614 1.275 38 HA TYR 6 HA TYR 6 10.128 -2.584 2.932 39 1HB TYR 6 1HB TYR 6 7.306 -3.371 3.732 40 2HB TYR 6 2HB TYR 6 8.534 -2.641 4.757 41 HD1 TYR 6 HD1 TYR 6 5.656 -1.894 2.924 42 HD2 TYR 6 HD2 TYR 6 9.654 -0.406 3.496 43 HE1 TYR 6 HE1 TYR 6 4.916 0.374 2.268 44 HE2 TYR 6 HE2 TYR 6 8.932 1.802 2.715 45 HH TYR 6 HH TYR 6 7.127 3.210 2.478 46 H GLU 7 H GLU 7 11.635 -4.148 3.067 47 HA GLU 7 HA GLU 7 10.986 -6.952 3.189 48 1HB GLU 7 1HB GLU 7 13.408 -7.195 3.577 49 2HB GLU 7 2HB GLU 7 12.876 -6.524 2.031 50 1HG GLU 7 1HG GLU 7 13.544 -4.254 2.692 51 2HG GLU 7 2HG GLU 7 13.936 -4.821 4.332 52 H ASN 8 H ASN 8 9.577 -6.515 4.847 53 HA ASN 8 HA ASN 8 10.513 -6.325 7.646 54 1HB ASN 8 1HB ASN 8 8.224 -6.291 8.263 55 2HB ASN 8 2HB ASN 8 8.408 -5.200 6.897 56 1HD2 ASN 8 1HD2 ASN 8 8.466 -8.278 5.490 57 2HD2 ASN 8 2HD2 ASN 8 6.764 -8.295 5.075 58 H LYS 9 H LYS 9 9.233 -8.138 9.171 59 HA LYS 9 HA LYS 9 10.771 -10.487 8.357 60 1HB LYS 9 1HB LYS 9 10.437 -9.192 10.749 61 2HB LYS 9 2HB LYS 9 9.248 -10.461 10.959 62 1HG LYS 9 1HG LYS 9 12.085 -11.132 10.053 63 2HG LYS 9 2HG LYS 9 11.800 -10.634 11.706 64 1HD LYS 9 1HD LYS 9 11.892 -13.033 11.557 65 2HD LYS 9 2HD LYS 9 10.318 -12.483 12.156 66 1HE LYS 9 1HE LYS 9 9.217 -13.018 10.135 67 2HE LYS 9 2HE LYS 9 10.743 -13.116 9.207 68 1HZ LYS 9 1HZ LYS 9 9.789 -15.231 9.605 69 2HZ LYS 9 2HZ LYS 9 11.233 -15.130 10.381 70 3HZ LYS 9 3HZ LYS 9 9.825 -15.033 11.238 71 H LYS 10 H LYS 10 7.438 -9.478 9.074 72 HA LYS 10 HA LYS 10 5.919 -11.744 9.071 73 1HB LYS 10 1HB LYS 10 5.507 -9.276 7.310 74 2HB LYS 10 2HB LYS 10 4.287 -10.542 7.483 75 1HG LYS 10 1HG LYS 10 5.189 -8.571 9.547 76 2HG LYS 10 2HG LYS 10 3.619 -8.778 8.789 77 1HD LYS 10 1HD LYS 10 3.123 -9.895 10.726 78 2HD LYS 10 2HD LYS 10 3.799 -11.243 9.820 79 1HE LYS 10 1HE LYS 10 6.120 -10.358 10.924 80 2HE LYS 10 2HE LYS 10 5.034 -9.548 12.037 81 1HZ LYS 10 1HZ LYS 10 5.717 -11.642 12.861 82 2HZ LYS 10 2HZ LYS 10 4.094 -11.680 12.593 83 3HZ LYS 10 3HZ LYS 10 5.121 -12.439 11.548 84 H GLY 11 H GLY 11 7.284 -10.355 6.179 85 1HA GLY 11 1HA GLY 11 7.661 -12.306 4.376 86 2HA GLY 11 2HA GLY 11 5.864 -12.170 4.393 87 H ASN 12 H ASN 12 8.668 -10.906 3.125 88 HA ASN 12 HA ASN 12 8.692 -8.183 3.402 89 1HB ASN 12 1HB ASN 12 9.368 -9.646 0.859 90 2HB ASN 12 2HB ASN 12 9.930 -8.048 1.327 91 1HD2 ASN 12 1HD2 ASN 12 10.246 -9.336 4.366 92 2HD2 ASN 12 2HD2 ASN 12 11.804 -10.054 4.116 93 H VAL 13 H VAL 13 7.315 -6.570 2.940 94 HA VAL 13 HA VAL 13 4.819 -7.311 1.561 95 HB VAL 13 HB VAL 13 5.677 -4.737 2.938 96 1HG1 VAL 13 1HG1 VAL 13 3.071 -4.359 2.652 97 2HG1 VAL 13 2HG1 VAL 13 4.148 -3.954 1.301 98 3HG1 VAL 13 3HG1 VAL 13 3.241 -5.476 1.294 99 1HG2 VAL 13 1HG2 VAL 13 3.555 -6.806 3.604 100 2HG2 VAL 13 2HG2 VAL 13 5.184 -6.769 4.324 101 3HG2 VAL 13 3HG2 VAL 13 4.071 -5.423 4.601 102 H THR 14 H THR 14 5.100 -7.477 -0.584 103 HA THR 14 HA THR 14 6.718 -5.591 -2.123 104 HB THR 14 HB THR 14 6.476 -7.920 -2.816 105 HG1 THR 14 HG1 THR 14 5.952 -7.392 -5.003 106 1HG2 THR 14 1HG2 THR 14 4.071 -8.322 -2.154 107 2HG2 THR 14 2HG2 THR 14 3.573 -7.305 -3.522 108 3HG2 THR 14 3HG2 THR 14 4.454 -8.811 -3.809 109 H PHE 15 H PHE 15 6.032 -3.571 -2.783 110 HA PHE 15 HA PHE 15 3.125 -3.277 -3.259 111 1HB PHE 15 1HB PHE 15 3.039 -1.080 -2.364 112 2HB PHE 15 2HB PHE 15 3.488 -2.232 -1.109 113 HD1 PHE 15 HD1 PHE 15 5.858 -2.399 -0.318 114 HD2 PHE 15 HD2 PHE 15 4.468 0.784 -2.874 115 HE1 PHE 15 HE1 PHE 15 7.671 -0.932 0.515 116 HE2 PHE 15 HE2 PHE 15 6.256 2.265 -1.996 117 HZ PHE 15 HZ PHE 15 7.801 1.416 -0.232 118 H ASP 16 H ASP 16 2.849 -2.884 -5.263 119 HA ASP 16 HA ASP 16 4.725 -1.645 -7.059 120 1HB ASP 16 1HB ASP 16 1.775 -2.289 -7.017 121 2HB ASP 16 2HB ASP 16 2.349 -0.999 -8.079 122 H HIS 17 H HIS 17 4.412 0.461 -7.925 123 HA HIS 17 HA HIS 17 3.365 2.550 -6.057 124 1HB HIS 17 1HB HIS 17 5.698 2.145 -5.439 125 2HB HIS 17 2HB HIS 17 6.192 2.258 -7.125 126 HD1 HIS 17 HND HIS 17 6.665 4.753 -8.025 127 HD2 HIS 17 HD HIS 17 4.519 4.446 -4.431 128 HE1 HIS 17 HE HIS 17 6.229 7.145 -7.203 129 H LYS 18 H LYS 18 5.439 2.470 -8.945 130 HA LYS 18 HA LYS 18 4.097 4.419 -10.474 131 1HB LYS 18 1HB LYS 18 6.039 4.139 -11.421 132 2HB LYS 18 2HB LYS 18 6.273 2.544 -10.767 133 1HG LYS 18 1HG LYS 18 4.405 2.769 -13.111 134 2HG LYS 18 2HG LYS 18 6.124 2.990 -13.335 135 1HD LYS 18 1HD LYS 18 6.754 0.966 -12.260 136 2HD LYS 18 2HD LYS 18 5.093 0.543 -11.898 137 1HE LYS 18 1HE LYS 18 6.379 0.759 -14.654 138 2HE LYS 18 2HE LYS 18 5.812 -0.717 -13.859 139 1HZ LYS 18 1HZ LYS 18 4.019 1.487 -14.810 140 2HZ LYS 18 2HZ LYS 18 4.273 0.069 -15.557 141 3HZ LYS 18 3HZ LYS 18 3.484 0.147 -14.158 142 H ALA 19 H ALA 19 3.726 0.863 -10.555 143 HA ALA 19 HA ALA 19 1.589 0.796 -12.343 144 1HB ALA 19 1HB ALA 19 2.798 -1.172 -11.349 145 2HB ALA 19 2HB ALA 19 1.627 -0.995 -10.002 146 3HB ALA 19 3HB ALA 19 1.042 -1.323 -11.631 147 H HIS 20 H HIS 20 1.380 1.119 -8.745 148 HA HIS 20 HA HIS 20 -1.486 1.388 -8.658 149 1HB HIS 20 1HB HIS 20 0.775 2.154 -6.792 150 2HB HIS 20 2HB HIS 20 -0.854 2.742 -6.517 151 HD1 HIS 20 HND HIS 20 0.221 -0.785 -7.622 152 HD2 HIS 20 HD HIS 20 -1.987 1.231 -4.690 153 HE1 HIS 20 HE HIS 20 -0.937 -2.569 -6.215 154 H ALA 21 H ALA 21 1.124 3.550 -9.543 155 HA ALA 21 HA ALA 21 -0.474 5.985 -9.307 156 1HB ALA 21 1HB ALA 21 2.038 5.891 -9.267 157 2HB ALA 21 2HB ALA 21 2.010 5.651 -11.021 158 3HB ALA 21 3HB ALA 21 1.323 7.118 -10.346 159 H GLU 22 H GLU 22 0.534 4.054 -12.078 160 HA GLU 22 HA GLU 22 -0.922 5.595 -14.025 161 1HB GLU 22 1HB GLU 22 -0.284 3.902 -15.654 162 2HB GLU 22 2HB GLU 22 1.077 4.361 -14.619 163 1HG GLU 22 1HG GLU 22 0.361 2.295 -13.227 164 2HG GLU 22 2HG GLU 22 -0.497 1.769 -14.669 165 H LYS 23 H LYS 23 -1.657 2.499 -12.334 166 HA LYS 23 HA LYS 23 -4.222 2.058 -13.414 167 1HB LYS 23 1HB LYS 23 -2.986 1.523 -10.679 168 2HB LYS 23 2HB LYS 23 -4.516 0.835 -11.193 169 1HG LYS 23 1HG LYS 23 -1.916 0.396 -12.777 170 2HG LYS 23 2HG LYS 23 -2.426 -0.603 -11.390 171 1HD LYS 23 1HD LYS 23 -4.606 -0.947 -12.545 172 2HD LYS 23 2HD LYS 23 -3.934 -0.138 -13.985 173 1HE LYS 23 1HE LYS 23 -2.347 -1.906 -14.350 174 2HE LYS 23 2HE LYS 23 -2.500 -2.494 -12.682 175 1HZ LYS 23 1HZ LYS 23 -4.637 -3.261 -13.084 176 2HZ LYS 23 2HZ LYS 23 -4.658 -2.744 -14.651 177 3HZ LYS 23 3HZ LYS 23 -3.630 -3.950 -14.161 178 H LEU 24 H LEU 24 -3.294 3.789 -10.362 179 HA LEU 24 HA LEU 24 -6.152 4.313 -9.932 180 1HB LEU 24 1HB LEU 24 -3.892 4.881 -8.022 181 2HB LEU 24 2HB LEU 24 -5.599 4.660 -7.670 182 HG LEU 24 HG LEU 24 -3.829 2.417 -8.779 183 1HD1 LEU 24 1HD1 LEU 24 -4.579 2.905 -5.900 184 2HD1 LEU 24 2HD1 LEU 24 -3.699 1.523 -6.571 185 3HD1 LEU 24 3HD1 LEU 24 -3.000 3.154 -6.615 186 1HD2 LEU 24 1HD2 LEU 24 -6.603 2.326 -7.592 187 2HD2 LEU 24 2HD2 LEU 24 -6.151 2.043 -9.284 188 3HD2 LEU 24 3HD2 LEU 24 -5.578 0.939 -8.027 189 H GLY 25 H GLY 25 -3.061 6.275 -10.182 190 1HA GLY 25 1HA GLY 25 -3.717 8.200 -11.695 191 2HA GLY 25 2HA GLY 25 -4.650 8.773 -10.295 192 H CYS 26 H CYS 26 -3.584 9.155 -8.356 193 HA CYS 26 HA CYS 26 -0.825 8.945 -7.756 194 1HB CYS 26 1HB CYS 26 -0.834 10.778 -9.753 195 2HB CYS 26 2HB CYS 26 -1.408 11.832 -8.486 196 H ASP 27 H ASP 27 -3.520 10.973 -7.743 197 HA ASP 27 HA ASP 27 -3.826 12.337 -5.318 198 1HB ASP 27 1HB ASP 27 -6.222 12.068 -5.899 199 2HB ASP 27 2HB ASP 27 -5.261 12.616 -7.274 200 H ALA 28 H ALA 28 -4.627 9.081 -6.311 201 HA ALA 28 HA ALA 28 -5.814 7.764 -4.316 202 1HB ALA 28 1HB ALA 28 -4.990 6.656 -6.305 203 2HB ALA 28 2HB ALA 28 -3.302 6.917 -5.818 204 3HB ALA 28 3HB ALA 28 -4.319 5.800 -4.896 205 H CYS 29 H CYS 29 -2.383 8.700 -4.206 206 HA CYS 29 HA CYS 29 -2.300 8.041 -1.271 207 1HB CYS 29 1HB CYS 29 -0.100 7.657 -3.271 208 2HB CYS 29 2HB CYS 29 -0.086 7.188 -1.559 209 H HIS 30 H HIS 30 -1.236 10.257 -3.876 210 HA HIS 30 HA HIS 30 0.071 12.013 -1.818 211 1HB HIS 30 1HB HIS 30 0.813 11.600 -4.724 212 2HB HIS 30 2HB HIS 30 1.572 12.716 -3.600 213 HD1 HIS 30 HND HIS 30 3.119 11.571 -1.679 214 HD2 HIS 30 HD HIS 30 1.848 9.305 -4.937 215 HE1 HIS 30 HE HIS 30 4.896 9.654 -2.074 216 H GLU 31 H GLU 31 -1.343 13.689 -1.564 217 HA GLU 31 HA GLU 31 -3.130 14.643 -3.623 218 1HB GLU 31 1HB GLU 31 -2.131 15.933 -0.988 219 2HB GLU 31 2HB GLU 31 -3.360 16.619 -2.074 220 1HG GLU 31 1HG GLU 31 -4.575 14.533 -1.890 221 2HG GLU 31 2HG GLU 31 -3.463 13.921 -0.654 222 H GLY 32 H GLY 32 -0.585 16.388 -2.089 223 1HA GLY 32 1HA GLY 32 0.596 17.334 -4.686 224 2HA GLY 32 2HA GLY 32 -0.032 18.520 -3.530 225 H THR 33 H THR 33 1.629 15.523 -2.535 226 HA THR 33 HA THR 33 4.236 16.735 -2.468 227 HB THR 33 HB THR 33 3.442 17.926 -0.590 228 HG1 THR 33 HG1 THR 33 4.975 17.144 0.897 229 1HG2 THR 33 1HG2 THR 33 2.662 16.928 1.466 230 2HG2 THR 33 2HG2 THR 33 1.578 16.439 0.157 231 3HG2 THR 33 3HG2 THR 33 2.780 15.295 0.794 232 HA PRO 34 HA PRO 34 4.950 12.281 -1.940 233 1HB PRO 34 1HB PRO 34 6.853 11.935 -3.814 234 2HB PRO 34 2HB PRO 34 5.122 11.999 -4.185 235 1HG PRO 34 1HG PRO 34 7.142 14.053 -4.856 236 2HG PRO 34 2HG PRO 34 5.484 13.780 -5.473 237 1HD PRO 34 1HD PRO 34 6.379 15.639 -3.364 238 2HD PRO 34 2HD PRO 34 4.817 15.542 -4.231 239 H ALA 35 H ALA 35 8.144 13.259 -2.885 240 HA ALA 35 HA ALA 35 10.090 13.070 -1.729 241 1HB ALA 35 1HB ALA 35 10.350 14.689 0.077 242 2HB ALA 35 2HB ALA 35 9.363 15.379 -1.225 243 3HB ALA 35 3HB ALA 35 8.589 14.806 0.269 244 H LYS 36 H LYS 36 8.602 10.818 -1.385 245 HA LYS 36 HA LYS 36 8.540 8.893 -0.314 246 1HB LYS 36 1HB LYS 36 10.827 10.141 1.066 247 2HB LYS 36 2HB LYS 36 9.885 9.151 2.151 248 1HG LYS 36 1HG LYS 36 10.108 7.449 -0.042 249 2HG LYS 36 2HG LYS 36 11.549 8.416 -0.224 250 1HD LYS 36 1HD LYS 36 11.940 6.376 1.042 251 2HD LYS 36 2HD LYS 36 12.261 7.781 2.076 252 1HE LYS 36 1HE LYS 36 10.466 7.297 3.510 253 2HE LYS 36 2HE LYS 36 9.447 6.781 2.165 254 1HZ LYS 36 1HZ LYS 36 10.828 4.750 2.065 255 2HZ LYS 36 2HZ LYS 36 11.303 5.078 3.641 256 3HZ LYS 36 3HZ LYS 36 9.705 4.873 3.144 257 H ILE 37 H ILE 37 7.131 7.787 0.971 258 HA ILE 37 HA ILE 37 5.658 9.452 2.976 259 HB ILE 37 HB ILE 37 4.640 6.809 1.852 260 1HG1 ILE 37 1HG1 ILE 37 4.208 9.528 0.765 261 2HG1 ILE 37 2HG1 ILE 37 4.906 8.072 0.014 262 1HG2 ILE 37 1HG2 ILE 37 3.172 9.256 2.993 263 2HG2 ILE 37 2HG2 ILE 37 2.533 7.617 2.802 264 3HG2 ILE 37 3HG2 ILE 37 3.685 7.974 4.080 265 1HD1 ILE 37 1HD1 ILE 37 2.659 8.231 -0.844 266 2HD1 ILE 37 2HD1 ILE 37 2.656 6.926 0.347 267 3HD1 ILE 37 3HD1 ILE 37 1.990 8.524 0.759 268 H ALA 38 H ALA 38 4.985 6.547 3.702 269 HA ALA 38 HA ALA 38 6.968 5.346 5.344 270 1HB ALA 38 1HB ALA 38 7.194 7.523 6.483 271 2HB ALA 38 2HB ALA 38 5.427 7.634 6.661 272 3HB ALA 38 3HB ALA 38 6.343 6.387 7.539 273 H ILE 39 H ILE 39 5.310 3.999 3.988 274 HA ILE 39 HA ILE 39 2.720 3.753 5.405 275 HB ILE 39 HB ILE 39 3.559 2.519 2.805 276 1HG1 ILE 39 1HG1 ILE 39 3.230 4.931 2.609 277 2HG1 ILE 39 2HG1 ILE 39 1.832 4.072 1.982 278 1HG2 ILE 39 1HG2 ILE 39 1.178 2.237 4.667 279 2HG2 ILE 39 2HG2 ILE 39 0.927 2.173 2.930 280 3HG2 ILE 39 3HG2 ILE 39 2.021 1.006 3.708 281 1HD1 ILE 39 1HD1 ILE 39 0.684 4.523 4.229 282 2HD1 ILE 39 2HD1 ILE 39 1.998 5.682 4.531 283 3HD1 ILE 39 3HD1 ILE 39 0.927 5.893 3.138 284 H ASP 40 H ASP 40 3.569 3.262 7.173 285 HA ASP 40 HA ASP 40 5.179 0.829 7.655 286 1HB ASP 40 1HB ASP 40 4.062 2.820 9.670 287 2HB ASP 40 2HB ASP 40 5.345 1.637 9.931 288 H LYS 41 H LYS 41 4.371 -0.683 9.406 289 HA LYS 41 HA LYS 41 1.969 -1.808 9.266 290 1HB LYS 41 1HB LYS 41 2.277 -2.377 11.726 291 2HB LYS 41 2HB LYS 41 3.614 -2.710 10.624 292 1HG LYS 41 1HG LYS 41 4.785 -0.666 11.399 293 2HG LYS 41 2HG LYS 41 3.505 -0.392 12.601 294 1HD LYS 41 1HD LYS 41 4.057 -2.445 13.752 295 2HD LYS 41 2HD LYS 41 5.041 -2.986 12.388 296 1HE LYS 41 1HE LYS 41 6.578 -0.997 12.769 297 2HE LYS 41 2HE LYS 41 5.743 -0.755 14.316 298 1HZ LYS 41 1HZ LYS 41 7.727 -2.084 14.534 299 2HZ LYS 41 2HZ LYS 41 6.424 -3.031 14.880 300 3HZ LYS 41 3HZ LYS 41 7.192 -3.172 13.428 301 H LYS 42 H LYS 42 2.607 1.072 11.176 302 HA LYS 42 HA LYS 42 -0.015 1.283 12.346 303 1HB LYS 42 1HB LYS 42 1.904 3.575 11.711 304 2HB LYS 42 2HB LYS 42 0.509 3.608 12.800 305 1HG LYS 42 1HG LYS 42 1.702 1.700 14.108 306 2HG LYS 42 2HG LYS 42 3.098 2.039 13.089 307 1HD LYS 42 1HD LYS 42 3.507 3.256 15.072 308 2HD LYS 42 2HD LYS 42 3.090 4.417 13.821 309 1HE LYS 42 1HE LYS 42 2.045 5.038 15.934 310 2HE LYS 42 2HE LYS 42 0.793 4.648 14.758 311 1HZ LYS 42 1HZ LYS 42 0.570 2.495 15.808 312 2HZ LYS 42 2HZ LYS 42 1.767 2.847 16.885 313 3HZ LYS 42 3HZ LYS 42 0.360 3.692 16.911 314 H SER 43 H SER 43 1.317 3.201 9.552 315 HA SER 43 HA SER 43 -1.067 4.341 8.753 316 1HB SER 43 1HB SER 43 1.144 3.438 6.876 317 2HB SER 43 2HB SER 43 0.157 4.899 6.792 318 HG SER 43 HG SER 43 2.399 5.137 7.647 319 H ALA 44 H ALA 44 0.530 1.514 7.403 320 HA ALA 44 HA ALA 44 -0.870 0.921 5.184 321 1HB ALA 44 1HB ALA 44 1.272 -0.015 5.906 322 2HB ALA 44 2HB ALA 44 0.445 -1.024 7.107 323 3HB ALA 44 3HB ALA 44 0.132 -1.288 5.378 324 H HIS 45 H HIS 45 -1.498 -0.589 8.376 325 HA HIS 45 HA HIS 45 -3.786 -2.055 7.236 326 1HB HIS 45 1HB HIS 45 -3.043 -1.966 10.148 327 2HB HIS 45 2HB HIS 45 -3.928 -3.215 9.276 328 HD1 HIS 45 HND HIS 45 -0.561 -2.299 10.455 329 HD2 HIS 45 HD HIS 45 -2.213 -4.748 7.469 330 HE1 HIS 45 HE HIS 45 1.225 -3.998 9.830 331 H LYS 46 H LYS 46 -3.266 1.013 8.813 332 HA LYS 46 HA LYS 46 -5.880 1.017 10.170 333 1HB LYS 46 1HB LYS 46 -3.878 1.830 11.292 334 2HB LYS 46 2HB LYS 46 -3.646 3.086 10.068 335 1HG LYS 46 1HG LYS 46 -6.252 2.914 11.568 336 2HG LYS 46 2HG LYS 46 -4.836 3.550 12.417 337 1HD LYS 46 1HD LYS 46 -5.806 4.649 9.774 338 2HD LYS 46 2HD LYS 46 -6.402 5.246 11.304 339 1HE LYS 46 1HE LYS 46 -4.244 6.076 11.950 340 2HE LYS 46 2HE LYS 46 -3.417 5.244 10.625 341 1HZ LYS 46 1HZ LYS 46 -5.475 7.274 10.125 342 2HZ LYS 46 2HZ LYS 46 -3.869 7.650 10.273 343 3HZ LYS 46 3HZ LYS 46 -4.379 6.655 9.077 344 H ASP 47 H ASP 47 -4.142 3.213 7.937 345 HA ASP 47 HA ASP 47 -6.382 3.515 6.176 346 1HB ASP 47 1HB ASP 47 -5.619 5.931 7.854 347 2HB ASP 47 2HB ASP 47 -6.430 6.003 6.313 348 H ALA 48 H ALA 48 -4.571 2.487 5.169 349 HA ALA 48 HA ALA 48 -3.758 4.511 3.315 350 1HB ALA 48 1HB ALA 48 -1.722 4.696 4.545 351 2HB ALA 48 2HB ALA 48 -1.543 2.950 4.711 352 3HB ALA 48 3HB ALA 48 -1.355 3.719 3.114 353 H CYS 49 H CYS 49 -2.192 1.365 3.536 354 HA CYS 49 HA CYS 49 -3.135 0.546 1.013 355 1HB CYS 49 1HB CYS 49 -2.241 -1.264 3.237 356 2HB CYS 49 2HB CYS 49 -2.182 -1.594 1.511 357 H LYS 50 H LYS 50 -4.169 -0.749 4.251 358 HA LYS 50 HA LYS 50 -6.120 -2.360 2.956 359 1HB LYS 50 1HB LYS 50 -5.087 -2.957 5.082 360 2HB LYS 50 2HB LYS 50 -6.029 -1.697 5.911 361 1HG LYS 50 1HG LYS 50 -8.100 -2.778 5.419 362 2HG LYS 50 2HG LYS 50 -7.370 -3.738 4.122 363 1HD LYS 50 1HD LYS 50 -6.118 -5.065 5.831 364 2HD LYS 50 2HD LYS 50 -6.882 -4.103 7.102 365 1HE LYS 50 1HE LYS 50 -8.070 -6.253 6.784 366 2HE LYS 50 2HE LYS 50 -9.119 -4.876 6.431 367 1HZ LYS 50 1HZ LYS 50 -8.755 -5.274 4.067 368 2HZ LYS 50 2HZ LYS 50 -7.751 -6.531 4.404 369 3HZ LYS 50 3HZ LYS 50 -9.337 -6.621 4.798 370 H THR 51 H THR 51 -6.347 1.014 3.879 371 HA THR 51 HA THR 51 -9.268 0.929 4.046 372 HB THR 51 HB THR 51 -7.296 3.183 4.170 373 HG1 THR 51 HG1 THR 51 -8.558 3.292 6.162 374 1HG2 THR 51 1HG2 THR 51 -9.232 4.701 4.537 375 2HG2 THR 51 2HG2 THR 51 -9.145 4.144 2.865 376 3HG2 THR 51 3HG2 THR 51 -10.333 3.427 3.980 377 H CYS 52 H CYS 52 -6.850 1.458 1.497 378 HA CYS 52 HA CYS 52 -9.014 1.980 -0.403 379 1HB CYS 52 1HB CYS 52 -6.088 1.488 -0.530 380 2HB CYS 52 2HB CYS 52 -7.017 0.666 -1.789 381 H HIS 53 H HIS 53 -6.956 -0.725 0.575 382 HA HIS 53 HA HIS 53 -8.423 -2.735 -0.893 383 1HB HIS 53 1HB HIS 53 -6.022 -2.653 0.951 384 2HB HIS 53 2HB HIS 53 -6.756 -4.176 0.524 385 HD1 HIS 53 HND HIS 53 -5.602 -5.244 -1.258 386 HD2 HIS 53 HD HIS 53 -5.046 -1.103 -1.349 387 HE1 HIS 53 HE HIS 53 -3.971 -4.755 -3.162 388 H LYS 54 H LYS 54 -10.315 -1.528 0.626 389 HA LYS 54 HA LYS 54 -11.052 -3.202 2.916 390 1HB LYS 54 1HB LYS 54 -12.549 -1.136 1.317 391 2HB LYS 54 2HB LYS 54 -13.264 -2.058 2.656 392 1HG LYS 54 1HG LYS 54 -10.788 -0.324 2.838 393 2HG LYS 54 2HG LYS 54 -12.434 0.213 3.152 394 1HD LYS 54 1HD LYS 54 -12.449 -1.721 4.953 395 2HD LYS 54 2HD LYS 54 -10.681 -1.603 4.785 396 1HE LYS 54 1HE LYS 54 -11.173 1.034 5.066 397 2HE LYS 54 2HE LYS 54 -12.694 0.481 5.750 398 1HZ LYS 54 1HZ LYS 54 -11.014 0.886 7.396 399 2HZ LYS 54 2HZ LYS 54 -11.396 -0.715 7.408 400 3HZ LYS 54 3HZ LYS 54 -9.985 -0.183 6.722 401 H SER 55 H SER 55 -13.315 -2.645 0.290 402 HA SER 55 HA SER 55 -14.041 -5.453 0.163 403 1HB SER 55 1HB SER 55 -15.679 -3.568 0.038 404 2HB SER 55 2HB SER 55 -14.982 -3.084 -1.524 405 HG SER 55 HG SER 55 -16.809 -4.455 -1.759 406 H ASN 56 H ASN 56 -12.545 -3.051 -1.995 407 HA ASN 56 HA ASN 56 -12.103 -4.917 -4.195 408 1HB ASN 56 1HB ASN 56 -10.881 -2.965 -5.202 409 2HB ASN 56 2HB ASN 56 -12.562 -2.663 -4.762 410 1HD2 ASN 56 1HD2 ASN 56 -9.210 -2.175 -3.592 411 2HD2 ASN 56 2HD2 ASN 56 -9.610 -0.764 -2.600 412 H ASN 57 H ASN 57 -11.102 -6.351 -2.459 413 HA ASN 57 HA ASN 57 -8.146 -6.236 -2.766 414 1HB ASN 57 1HB ASN 57 -8.652 -5.350 -0.523 415 2HB ASN 57 2HB ASN 57 -9.600 -6.786 -0.127 416 1HD2 ASN 57 1HD2 ASN 57 -8.433 -8.615 0.731 417 2HD2 ASN 57 2HD2 ASN 57 -6.685 -8.676 0.697 418 H GLY 58 H GLY 58 -10.830 -8.192 -1.372 419 1HA GLY 58 1HA GLY 58 -11.562 -10.217 -2.440 420 2HA GLY 58 2HA GLY 58 -9.919 -10.584 -2.949 421 HA PRO 59 HA PRO 59 -9.591 -12.649 1.049 422 1HB PRO 59 1HB PRO 59 -6.863 -12.896 1.384 423 2HB PRO 59 2HB PRO 59 -7.676 -13.651 -0.012 424 1HG PRO 59 1HG PRO 59 -6.271 -10.967 0.068 425 2HG PRO 59 2HG PRO 59 -5.998 -12.304 -1.085 426 1HD PRO 59 1HD PRO 59 -7.643 -10.202 -1.619 427 2HD PRO 59 2HD PRO 59 -8.011 -11.840 -2.230 428 H THR 60 H THR 60 -7.762 -12.300 3.060 429 HA THR 60 HA THR 60 -9.082 -10.006 4.325 430 HB THR 60 HB THR 60 -10.846 -11.345 3.189 431 HG1 THR 60 HG1 THR 60 -12.164 -11.285 4.694 432 1HG2 THR 60 1HG2 THR 60 -9.827 -13.650 3.413 433 2HG2 THR 60 2HG2 THR 60 -10.330 -13.612 5.130 434 3HG2 THR 60 3HG2 THR 60 -11.532 -13.499 3.846 435 H LYS 61 H LYS 61 -8.238 -13.472 4.834 436 HA LYS 61 HA LYS 61 -7.206 -12.981 7.504 437 1HB LYS 61 1HB LYS 61 -6.716 -15.326 7.541 438 2HB LYS 61 2HB LYS 61 -8.324 -15.027 6.924 439 1HG LYS 61 1HG LYS 61 -7.849 -16.490 5.341 440 2HG LYS 61 2HG LYS 61 -6.985 -15.178 4.539 441 1HD LYS 61 1HD LYS 61 -5.019 -16.280 4.703 442 2HD LYS 61 2HD LYS 61 -5.168 -16.383 6.441 443 1HE LYS 61 1HE LYS 61 -4.939 -18.612 5.649 444 2HE LYS 61 2HE LYS 61 -6.601 -18.424 6.221 445 1HZ LYS 61 1HZ LYS 61 -7.265 -18.147 3.903 446 2HZ LYS 61 2HZ LYS 61 -5.709 -18.337 3.405 447 3HZ LYS 61 3HZ LYS 61 -6.499 -19.582 4.129 448 H CYS 62 H CYS 62 -5.947 -11.146 6.558 449 HA CYS 62 HA CYS 62 -4.079 -10.131 5.903 450 1HB CYS 62 1HB CYS 62 -2.574 -12.645 6.690 451 2HB CYS 62 2HB CYS 62 -1.950 -10.987 6.670 452 H GLY 63 H GLY 63 -1.721 -11.848 4.776 453 1HA GLY 63 1HA GLY 63 -1.174 -13.132 2.942 454 2HA GLY 63 2HA GLY 63 -2.890 -13.297 2.549 455 H GLY 64 H GLY 64 -3.690 -10.743 2.152 456 1HA GLY 64 1HA GLY 64 -3.429 -10.016 -0.387 457 2HA GLY 64 2HA GLY 64 -3.532 -8.803 0.903 458 H CYS 65 H CYS 65 -1.106 -8.908 2.069 459 HA CYS 65 HA CYS 65 0.645 -7.725 -0.045 460 1HB CYS 65 1HB CYS 65 0.324 -6.947 2.824 461 2HB CYS 65 2HB CYS 65 1.100 -6.002 1.544 462 H HIS 66 H HIS 66 0.662 -9.647 2.971 463 HA HIS 66 HA HIS 66 3.599 -9.830 2.983 464 1HB HIS 66 1HB HIS 66 1.486 -11.050 4.804 465 2HB HIS 66 2HB HIS 66 3.223 -11.178 5.021 466 HD1 HIS 66 HND HIS 66 4.535 -8.666 5.315 467 HD2 HIS 66 HD HIS 66 0.369 -8.922 5.991 468 HE1 HIS 66 HE HIS 66 3.807 -6.658 6.757 469 H ILE 67 H ILE 67 4.336 -11.179 1.347 470 HA ILE 67 HA ILE 67 2.795 -13.528 0.584 471 HB ILE 67 HB ILE 67 5.464 -12.605 -0.512 472 1HG1 ILE 67 1HG1 ILE 67 4.043 -10.651 -0.615 473 2HG1 ILE 67 2HG1 ILE 67 4.202 -11.346 -2.214 474 1HG2 ILE 67 1HG2 ILE 67 3.188 -14.290 -1.648 475 2HG2 ILE 67 2HG2 ILE 67 4.504 -13.614 -2.633 476 3HG2 ILE 67 3HG2 ILE 67 4.860 -14.793 -1.378 477 1HD1 ILE 67 1HD1 ILE 67 1.945 -12.374 -2.016 478 2HD1 ILE 67 2HD1 ILE 67 1.769 -11.675 -0.391 479 3HD1 ILE 67 3HD1 ILE 67 1.905 -10.619 -1.800 480 H LYS 68 H LYS 68 3.297 -14.103 3.022 481 HA LYS 68 HA LYS 68 4.024 -15.668 4.477 482 1HB LYS 68 1HB LYS 68 5.421 -17.041 2.143 483 2HB LYS 68 2HB LYS 68 5.197 -17.681 3.766 484 1HG LYS 68 1HG LYS 68 2.726 -17.537 3.478 485 2HG LYS 68 2HG LYS 68 2.997 -17.027 1.789 486 1HD LYS 68 1HD LYS 68 4.283 -19.152 1.385 487 2HD LYS 68 2HD LYS 68 4.067 -19.600 3.075 488 1HE LYS 68 1HE LYS 68 2.506 -20.869 1.745 489 2HE LYS 68 2HE LYS 68 1.616 -19.742 2.779 490 1HZ LYS 68 1HZ LYS 68 1.376 -18.293 0.873 491 2HZ LYS 68 2HZ LYS 68 2.229 -19.330 -0.080 492 3HZ LYS 68 3HZ LYS 68 0.771 -19.783 0.530 493 HHA HEC 69 HCM HEC 69 8.202 7.412 -1.976 494 HHB HEC 69 HDM HEC 69 6.426 10.932 -6.989 495 HHC HEC 69 HAM HEC 69 1.078 7.408 -7.456 496 HHD HEC 69 HBM HEC 69 2.467 4.803 -1.812 497 1HMA HEC 69 HM81 HEC 69 9.917 10.904 -5.570 498 2HMA HEC 69 HM82 HEC 69 8.829 10.709 -6.943 499 3HMA HEC 69 HM83 HEC 69 8.504 11.971 -5.731 500 1HAA HEC 69 HP71 HEC 69 9.986 10.537 -3.285 501 2HAA HEC 69 HP72 HEC 69 9.640 9.180 -2.223 502 1HBA HEC 69 HP73 HEC 69 10.849 8.646 -4.917 503 2HBA HEC 69 HP74 HEC 69 11.836 9.200 -3.556 504 1HMB HEC 69 HM11 HEC 69 5.117 11.988 -8.323 505 2HMB HEC 69 HM12 HEC 69 4.712 11.048 -9.775 506 3HMB HEC 69 HM13 HEC 69 3.472 11.991 -8.907 507 HAB HEC 69 HT2A HEC 69 0.993 8.878 -8.953 508 1HBB HEC 69 HT21 HEC 69 2.355 11.026 -10.559 509 2HBB HEC 69 HT22 HEC 69 2.623 9.290 -10.833 510 3HBB HEC 69 HT23 HEC 69 1.001 9.978 -10.977 511 1HMC HEC 69 HM31 HEC 69 -0.935 6.725 -6.310 512 2HMC HEC 69 HM32 HEC 69 -0.271 5.246 -7.043 513 3HMC HEC 69 HM33 HEC 69 -1.270 5.153 -5.590 514 HAC HEC 69 HT4A HEC 69 0.435 4.570 -2.118 515 1HBC HEC 69 HT41 HEC 69 -0.839 2.730 -2.743 516 2HBC HEC 69 HT42 HEC 69 -1.096 3.328 -4.379 517 3HBC HEC 69 HT43 HEC 69 0.504 2.714 -3.898 518 1HMD HEC 69 HM51 HEC 69 4.385 3.369 -0.548 519 2HMD HEC 69 HM52 HEC 69 5.074 4.276 0.810 520 3HMD HEC 69 HM53 HEC 69 3.423 4.615 0.273 521 1HAD HEC 69 HP61 HEC 69 8.094 6.379 -0.171 522 2HAD HEC 69 HP62 HEC 69 6.855 5.795 0.910 523 1HBD HEC 69 HP63 HEC 69 7.104 3.541 -0.091 524 2HBD HEC 69 HP64 HEC 69 8.408 4.162 -1.124 525 HHA HEC 70 HCM HEC 70 -3.343 -5.127 -6.837 526 HHB HEC 70 HDM HEC 70 0.218 -4.274 -1.582 527 HHC HEC 70 HAM HEC 70 -2.314 1.533 -0.881 528 HHD HEC 70 HBM HEC 70 -6.579 0.235 -5.411 529 1HMA HEC 70 HM81 HEC 70 1.270 -6.190 -3.441 530 2HMA HEC 70 HM82 HEC 70 0.103 -6.539 -2.142 531 3HMA HEC 70 HM83 HEC 70 0.070 -7.496 -3.616 532 1HAA HEC 70 HP71 HEC 70 -1.637 -6.625 -6.894 533 2HAA HEC 70 HP72 HEC 70 -0.485 -7.389 -5.827 534 1HBA HEC 70 HP73 HEC 70 -2.355 -8.183 -4.382 535 2HBA HEC 70 HP74 HEC 70 -3.508 -7.463 -5.517 536 1HMB HEC 70 HM11 HEC 70 1.611 -3.023 -0.288 537 2HMB HEC 70 HM12 HEC 70 1.315 -1.872 1.021 538 3HMB HEC 70 HM13 HEC 70 0.319 -3.327 0.871 539 HAB HEC 70 HT2A HEC 70 -0.812 1.362 0.513 540 1HBB HEC 70 HT21 HEC 70 1.973 0.197 0.603 541 2HBB HEC 70 HT22 HEC 70 1.361 1.143 -0.763 542 3HBB HEC 70 HT23 HEC 70 1.447 1.868 0.836 543 1HMC HEC 70 HM31 HEC 70 -4.463 3.209 -0.852 544 2HMC HEC 70 HM32 HEC 70 -3.046 3.564 -1.860 545 3HMC HEC 70 HM33 HEC 70 -4.639 4.110 -2.370 546 HAC HEC 70 HT4A HEC 70 -7.414 1.697 -3.946 547 1HBC HEC 70 HT41 HEC 70 -7.646 4.146 -4.435 548 2HBC HEC 70 HT42 HEC 70 -5.884 4.283 -4.372 549 3HBC HEC 70 HT43 HEC 70 -6.675 3.271 -5.605 550 1HMD HEC 70 HM51 HEC 70 -7.950 -2.199 -7.345 551 2HMD HEC 70 HM52 HEC 70 -7.365 -0.525 -7.291 552 3HMD HEC 70 HM53 HEC 70 -6.869 -1.576 -8.616 553 1HAD HEC 70 HP61 HEC 70 -5.556 -5.165 -7.697 554 2HAD HEC 70 HP62 HEC 70 -6.516 -3.985 -8.577 555 1HBD HEC 70 HP63 HEC 70 -3.510 -4.110 -8.974 556 2HBD HEC 70 HP64 HEC 70 -4.593 -5.247 -9.774 557 HHA HEC 71 HCM HEC 71 4.697 -4.084 8.713 558 HHB HEC 71 HDM HEC 71 0.960 -8.449 11.434 559 HHC HEC 71 HAM HEC 71 -2.845 -8.370 6.312 560 HHD HEC 71 HBM HEC 71 0.686 -3.737 3.756 561 1HMA HEC 71 HM81 HEC 71 2.894 -8.396 12.580 562 2HMA HEC 71 HM82 HEC 71 4.324 -7.389 12.796 563 3HMA HEC 71 HM83 HEC 71 2.725 -6.745 13.209 564 1HAA HEC 71 HP71 HEC 71 5.321 -4.361 10.801 565 2HAA HEC 71 HP72 HEC 71 5.365 -5.557 12.094 566 1HBA HEC 71 HP73 HEC 71 6.316 -6.046 9.270 567 2HBA HEC 71 HP74 HEC 71 7.358 -5.313 10.502 568 1HMB HEC 71 HM11 HEC 71 -0.171 -10.510 11.172 569 2HMB HEC 71 HM12 HEC 71 -1.448 -9.532 11.940 570 3HMB HEC 71 HM13 HEC 71 -1.858 -10.871 10.842 571 HAB HEC 71 HT2A HEC 71 -3.956 -9.204 7.944 572 1HBB HEC 71 HT21 HEC 71 -5.265 -9.670 9.854 573 2HBB HEC 71 HT22 HEC 71 -3.844 -9.731 10.908 574 3HBB HEC 71 HT23 HEC 71 -4.302 -8.204 10.124 575 1HMC HEC 71 HM31 HEC 71 -3.155 -8.341 4.076 576 2HMC HEC 71 HM32 HEC 71 -4.182 -6.926 4.405 577 3HMC HEC 71 HM33 HEC 71 -3.311 -7.092 2.857 578 HAC HEC 71 HT4A HEC 71 -1.001 -3.943 2.572 579 1HBC HEC 71 HT41 HEC 71 -3.256 -3.494 3.324 580 2HBC HEC 71 HT42 HEC 71 -3.159 -3.727 1.565 581 3HBC HEC 71 HT43 HEC 71 -3.835 -4.993 2.584 582 1HMD HEC 71 HM51 HEC 71 3.118 -1.059 4.646 583 2HMD HEC 71 HM52 HEC 71 3.495 -2.330 3.484 584 3HMD HEC 71 HM53 HEC 71 1.814 -1.859 3.790 585 1HAD HEC 71 HP61 HEC 71 5.091 -1.816 5.564 586 2HAD HEC 71 HP62 HEC 71 4.543 -1.327 7.136 587 1HBD HEC 71 HP63 HEC 71 6.218 -3.821 6.939 588 2HBD HEC 71 HP64 HEC 71 6.974 -2.294 6.509 Start of MODEL 14 1 1H ALA 1 1H ALA 1 8.502 6.660 -10.204 2 2H ALA 1 2H ALA 1 9.867 7.311 -9.483 3 3H ALA 1 3H ALA 1 9.979 6.097 -10.628 4 HA ALA 1 HA ALA 1 10.359 5.236 -8.480 5 1HB ALA 1 1HB ALA 1 7.437 5.768 -7.848 6 2HB ALA 1 2HB ALA 1 8.807 5.359 -6.775 7 3HB ALA 1 3HB ALA 1 8.670 6.980 -7.458 8 H ASP 2 H ASP 2 9.072 3.111 -7.758 9 HA ASP 2 HA ASP 2 7.580 1.660 -9.656 10 1HB ASP 2 1HB ASP 2 9.457 0.274 -10.506 11 2HB ASP 2 2HB ASP 2 9.550 1.933 -11.085 12 H VAL 3 H VAL 3 8.198 -0.798 -9.065 13 HA VAL 3 HA VAL 3 6.922 -0.999 -6.648 14 HB VAL 3 HB VAL 3 6.746 -2.706 -8.278 15 1HG1 VAL 3 1HG1 VAL 3 9.035 -2.708 -9.238 16 2HG1 VAL 3 2HG1 VAL 3 9.636 -3.524 -7.782 17 3HG1 VAL 3 3HG1 VAL 3 8.460 -4.328 -8.830 18 1HG2 VAL 3 1HG2 VAL 3 6.429 -3.349 -5.864 19 2HG2 VAL 3 2HG2 VAL 3 6.876 -4.698 -6.920 20 3HG2 VAL 3 3HG2 VAL 3 8.089 -3.970 -5.852 21 H VAL 4 H VAL 4 7.447 -0.755 -4.577 22 HA VAL 4 HA VAL 4 10.279 -1.201 -3.694 23 HB VAL 4 HB VAL 4 8.066 0.482 -2.539 24 1HG1 VAL 4 1HG1 VAL 4 10.800 -0.254 -1.375 25 2HG1 VAL 4 2HG1 VAL 4 9.773 1.050 -0.753 26 3HG1 VAL 4 3HG1 VAL 4 9.223 -0.623 -0.655 27 1HG2 VAL 4 1HG2 VAL 4 9.301 1.587 -4.345 28 2HG2 VAL 4 2HG2 VAL 4 9.701 2.321 -2.788 29 3HG2 VAL 4 3HG2 VAL 4 10.843 1.196 -3.556 30 H THR 5 H THR 5 10.474 -2.441 -1.769 31 HA THR 5 HA THR 5 7.985 -3.495 -0.748 32 HB THR 5 HB THR 5 8.904 -5.469 -1.854 33 HG1 THR 5 HG1 THR 5 8.281 -5.348 0.513 34 1HG2 THR 5 1HG2 THR 5 11.120 -6.393 -1.335 35 2HG2 THR 5 2HG2 THR 5 11.280 -4.806 -2.104 36 3HG2 THR 5 3HG2 THR 5 11.516 -4.975 -0.349 37 H TYR 6 H TYR 6 7.762 -3.403 1.369 38 HA TYR 6 HA TYR 6 9.952 -2.236 3.009 39 1HB TYR 6 1HB TYR 6 7.089 -3.006 3.683 40 2HB TYR 6 2HB TYR 6 8.286 -2.445 4.847 41 HD1 TYR 6 HD1 TYR 6 9.599 -0.172 3.932 42 HD2 TYR 6 HD2 TYR 6 5.558 -1.336 2.982 43 HE1 TYR 6 HE1 TYR 6 9.049 2.162 3.371 44 HE2 TYR 6 HE2 TYR 6 5.076 0.980 2.309 45 HH TYR 6 HH TYR 6 7.381 3.688 3.028 46 H GLU 7 H GLU 7 11.505 -3.803 3.178 47 HA GLU 7 HA GLU 7 10.854 -6.589 3.303 48 1HB GLU 7 1HB GLU 7 13.217 -6.911 3.758 49 2HB GLU 7 2HB GLU 7 12.779 -6.178 2.211 50 1HG GLU 7 1HG GLU 7 13.497 -3.951 2.991 51 2HG GLU 7 2HG GLU 7 13.846 -4.609 4.606 52 H ASN 8 H ASN 8 9.383 -6.219 4.923 53 HA ASN 8 HA ASN 8 10.184 -6.076 7.743 54 1HB ASN 8 1HB ASN 8 7.866 -6.449 8.264 55 2HB ASN 8 2HB ASN 8 8.033 -5.191 7.062 56 1HD2 ASN 8 1HD2 ASN 8 6.610 -5.285 5.449 57 2HD2 ASN 8 2HD2 ASN 8 5.813 -6.726 4.849 58 H LYS 9 H LYS 9 9.277 -7.987 9.237 59 HA LYS 9 HA LYS 9 11.156 -9.969 8.386 60 1HB LYS 9 1HB LYS 9 10.893 -8.654 10.714 61 2HB LYS 9 2HB LYS 9 9.839 -10.004 11.106 62 1HG LYS 9 1HG LYS 9 12.812 -10.084 10.350 63 2HG LYS 9 2HG LYS 9 12.101 -10.294 11.943 64 1HD LYS 9 1HD LYS 9 12.423 -12.498 11.457 65 2HD LYS 9 2HD LYS 9 10.793 -12.297 10.814 66 1HE LYS 9 1HE LYS 9 12.291 -11.627 8.599 67 2HE LYS 9 2HE LYS 9 13.453 -12.670 9.409 68 1HZ LYS 9 1HZ LYS 9 10.700 -13.303 8.591 69 2HZ LYS 9 2HZ LYS 9 12.060 -13.873 7.867 70 3HZ LYS 9 3HZ LYS 9 11.673 -14.386 9.390 71 H LYS 10 H LYS 10 7.701 -9.532 9.030 72 HA LYS 10 HA LYS 10 6.791 -12.201 9.109 73 1HB LYS 10 1HB LYS 10 5.583 -9.995 7.398 74 2HB LYS 10 2HB LYS 10 4.781 -11.482 7.872 75 1HG LYS 10 1HG LYS 10 5.465 -9.073 9.572 76 2HG LYS 10 2HG LYS 10 3.907 -9.685 9.079 77 1HD LYS 10 1HD LYS 10 3.878 -10.659 11.150 78 2HD LYS 10 2HD LYS 10 4.795 -11.933 10.339 79 1HE LYS 10 1HE LYS 10 6.938 -10.615 11.064 80 2HE LYS 10 2HE LYS 10 5.844 -9.584 11.975 81 1HZ LYS 10 1HZ LYS 10 5.194 -11.448 13.278 82 2HZ LYS 10 2HZ LYS 10 6.227 -12.438 12.449 83 3HZ LYS 10 3HZ LYS 10 6.813 -11.182 13.343 84 H GLY 11 H GLY 11 7.293 -10.257 6.135 85 1HA GLY 11 1HA GLY 11 8.429 -12.249 4.481 86 2HA GLY 11 2HA GLY 11 6.667 -12.456 4.406 87 H ASN 12 H ASN 12 8.933 -9.760 4.573 88 HA ASN 12 HA ASN 12 8.886 -7.685 3.569 89 1HB ASN 12 1HB ASN 12 9.378 -9.473 1.213 90 2HB ASN 12 2HB ASN 12 10.034 -7.866 1.461 91 1HD2 ASN 12 1HD2 ASN 12 10.643 -8.767 4.554 92 2HD2 ASN 12 2HD2 ASN 12 12.132 -9.605 4.239 93 H VAL 13 H VAL 13 7.215 -6.374 3.245 94 HA VAL 13 HA VAL 13 4.893 -7.262 1.662 95 HB VAL 13 HB VAL 13 5.388 -4.891 3.444 96 1HG1 VAL 13 1HG1 VAL 13 2.989 -4.188 2.682 97 2HG1 VAL 13 2HG1 VAL 13 4.377 -3.672 1.705 98 3HG1 VAL 13 3HG1 VAL 13 3.360 -5.042 1.192 99 1HG2 VAL 13 1HG2 VAL 13 3.708 -5.880 4.692 100 2HG2 VAL 13 2HG2 VAL 13 2.862 -6.536 3.273 101 3HG2 VAL 13 3HG2 VAL 13 4.318 -7.324 3.857 102 H THR 14 H THR 14 4.721 -6.983 -0.419 103 HA THR 14 HA THR 14 6.527 -5.072 -1.824 104 HB THR 14 HB THR 14 4.759 -7.326 -2.852 105 HG1 THR 14 HG1 THR 14 6.599 -7.885 -1.468 106 1HG2 THR 14 1HG2 THR 14 5.250 -5.647 -4.612 107 2HG2 THR 14 2HG2 THR 14 6.979 -5.711 -4.193 108 3HG2 THR 14 3HG2 THR 14 6.175 -7.134 -4.884 109 H PHE 15 H PHE 15 5.726 -3.134 -2.608 110 HA PHE 15 HA PHE 15 2.806 -2.986 -3.226 111 1HB PHE 15 1HB PHE 15 2.834 -0.621 -2.564 112 2HB PHE 15 2HB PHE 15 3.015 -1.737 -1.235 113 HD1 PHE 15 HD1 PHE 15 5.379 -2.211 -0.303 114 HD2 PHE 15 HD2 PHE 15 4.360 1.196 -2.765 115 HE1 PHE 15 HE1 PHE 15 7.234 -0.916 0.688 116 HE2 PHE 15 HE2 PHE 15 6.120 2.523 -1.631 117 HZ PHE 15 HZ PHE 15 7.502 1.471 0.155 118 H ASP 16 H ASP 16 2.718 -3.022 -5.372 119 HA ASP 16 HA ASP 16 4.873 -2.006 -7.013 120 1HB ASP 16 1HB ASP 16 3.501 -3.933 -7.672 121 2HB ASP 16 2HB ASP 16 2.128 -2.847 -7.934 122 H HIS 17 H HIS 17 5.022 -0.059 -6.071 123 HA HIS 17 HA HIS 17 3.575 2.134 -5.764 124 1HB HIS 17 1HB HIS 17 6.069 1.634 -5.564 125 2HB HIS 17 2HB HIS 17 6.245 2.056 -7.259 126 HD1 HIS 17 HND HIS 17 7.930 3.566 -5.311 127 HD2 HIS 17 HD HIS 17 3.911 4.556 -6.020 128 HE1 HIS 17 HE HIS 17 7.570 5.857 -4.324 129 H LYS 18 H LYS 18 5.226 1.655 -8.919 130 HA LYS 18 HA LYS 18 3.805 3.711 -10.291 131 1HB LYS 18 1HB LYS 18 5.408 3.600 -11.659 132 2HB LYS 18 2HB LYS 18 6.094 2.366 -10.739 133 1HG LYS 18 1HG LYS 18 4.030 1.731 -12.832 134 2HG LYS 18 2HG LYS 18 5.713 1.979 -13.186 135 1HD LYS 18 1HD LYS 18 6.513 0.110 -12.140 136 2HD LYS 18 2HD LYS 18 5.257 0.142 -10.920 137 1HE LYS 18 1HE LYS 18 3.578 -0.568 -12.734 138 2HE LYS 18 2HE LYS 18 4.951 -0.821 -13.816 139 1HZ LYS 18 1HZ LYS 18 4.199 -2.835 -12.623 140 2HZ LYS 18 2HZ LYS 18 5.752 -2.479 -12.204 141 3HZ LYS 18 3HZ LYS 18 4.508 -2.146 -11.198 142 H ALA 19 H ALA 19 3.276 0.118 -10.265 143 HA ALA 19 HA ALA 19 1.102 0.087 -12.034 144 1HB ALA 19 1HB ALA 19 1.316 -1.355 -9.424 145 2HB ALA 19 2HB ALA 19 0.167 -1.744 -10.712 146 3HB ALA 19 3HB ALA 19 1.905 -1.949 -11.021 147 H HIS 20 H HIS 20 0.968 0.699 -8.465 148 HA HIS 20 HA HIS 20 -1.857 1.212 -8.372 149 1HB HIS 20 1HB HIS 20 0.462 2.083 -6.605 150 2HB HIS 20 2HB HIS 20 -1.194 2.577 -6.309 151 HD1 HIS 20 HND HIS 20 0.671 -0.767 -6.740 152 HD2 HIS 20 HD HIS 20 -2.572 1.001 -4.735 153 HE1 HIS 20 HE HIS 20 -0.322 -2.555 -5.228 154 H ALA 21 H ALA 21 0.963 3.172 -9.167 155 HA ALA 21 HA ALA 21 -0.419 5.710 -9.174 156 1HB ALA 21 1HB ALA 21 1.986 5.063 -10.907 157 2HB ALA 21 2HB ALA 21 1.426 6.623 -10.321 158 3HB ALA 21 3HB ALA 21 2.085 5.419 -9.175 159 H GLU 22 H GLU 22 0.293 3.489 -11.873 160 HA GLU 22 HA GLU 22 -1.049 5.188 -13.805 161 1HB GLU 22 1HB GLU 22 -0.545 3.478 -15.457 162 2HB GLU 22 2HB GLU 22 0.866 3.870 -14.472 163 1HG GLU 22 1HG GLU 22 0.340 1.811 -13.093 164 2HG GLU 22 2HG GLU 22 -0.844 1.359 -14.328 165 H LYS 23 H LYS 23 -1.914 2.102 -12.183 166 HA LYS 23 HA LYS 23 -4.450 1.711 -13.319 167 1HB LYS 23 1HB LYS 23 -3.378 1.173 -10.517 168 2HB LYS 23 2HB LYS 23 -4.862 0.475 -11.151 169 1HG LYS 23 1HG LYS 23 -2.154 0.035 -12.534 170 2HG LYS 23 2HG LYS 23 -2.737 -0.953 -11.182 171 1HD LYS 23 1HD LYS 23 -4.778 -1.429 -12.462 172 2HD LYS 23 2HD LYS 23 -4.130 -0.522 -13.853 173 1HE LYS 23 1HE LYS 23 -2.417 -2.127 -14.260 174 2HE LYS 23 2HE LYS 23 -2.494 -2.761 -12.604 175 1HZ LYS 23 1HZ LYS 23 -4.530 -3.743 -13.004 176 2HZ LYS 23 2HZ LYS 23 -4.633 -3.201 -14.561 177 3HZ LYS 23 3HZ LYS 23 -3.471 -4.298 -14.115 178 H LEU 24 H LEU 24 -3.508 3.616 -10.390 179 HA LEU 24 HA LEU 24 -6.359 4.293 -9.984 180 1HB LEU 24 1HB LEU 24 -4.037 4.910 -8.165 181 2HB LEU 24 2HB LEU 24 -5.754 4.843 -7.775 182 HG LEU 24 HG LEU 24 -4.192 2.364 -8.672 183 1HD1 LEU 24 1HD1 LEU 24 -4.715 3.284 -5.843 184 2HD1 LEU 24 2HD1 LEU 24 -3.963 1.766 -6.366 185 3HD1 LEU 24 3HD1 LEU 24 -3.170 3.332 -6.663 186 1HD2 LEU 24 1HD2 LEU 24 -5.992 1.162 -7.593 187 2HD2 LEU 24 2HD2 LEU 24 -6.833 2.687 -7.225 188 3HD2 LEU 24 3HD2 LEU 24 -6.612 2.168 -8.914 189 H GLY 25 H GLY 25 -3.149 6.030 -10.209 190 1HA GLY 25 1HA GLY 25 -3.569 8.005 -11.787 191 2HA GLY 25 2HA GLY 25 -4.539 8.640 -10.435 192 H CYS 26 H CYS 26 -3.493 8.791 -8.360 193 HA CYS 26 HA CYS 26 -0.777 8.399 -7.769 194 1HB CYS 26 1HB CYS 26 -0.566 10.369 -9.597 195 2HB CYS 26 2HB CYS 26 -1.171 11.363 -8.296 196 H ASP 27 H ASP 27 -3.375 10.569 -7.601 197 HA ASP 27 HA ASP 27 -3.616 11.825 -5.147 198 1HB ASP 27 1HB ASP 27 -6.016 11.613 -5.670 199 2HB ASP 27 2HB ASP 27 -5.084 12.174 -7.059 200 H ALA 28 H ALA 28 -4.523 8.605 -6.179 201 HA ALA 28 HA ALA 28 -5.632 7.252 -4.202 202 1HB ALA 28 1HB ALA 28 -3.116 6.476 -5.729 203 2HB ALA 28 2HB ALA 28 -4.077 5.321 -4.790 204 3HB ALA 28 3HB ALA 28 -4.804 6.171 -6.177 205 H CYS 29 H CYS 29 -2.197 8.158 -4.106 206 HA CYS 29 HA CYS 29 -2.149 7.692 -1.140 207 1HB CYS 29 1HB CYS 29 0.091 7.139 -3.041 208 2HB CYS 29 2HB CYS 29 0.043 6.772 -1.307 209 H HIS 30 H HIS 30 -1.041 9.723 -3.890 210 HA HIS 30 HA HIS 30 0.000 11.700 -1.913 211 1HB HIS 30 1HB HIS 30 1.185 11.128 -4.637 212 2HB HIS 30 2HB HIS 30 1.764 12.269 -3.440 213 HD1 HIS 30 HND HIS 30 3.294 11.184 -1.496 214 HD2 HIS 30 HD HIS 30 1.985 8.781 -4.641 215 HE1 HIS 30 HE HIS 30 5.048 9.271 -1.821 216 H GLU 31 H GLU 31 -1.166 13.456 -2.125 217 HA GLU 31 HA GLU 31 -2.731 13.977 -4.603 218 1HB GLU 31 1HB GLU 31 -3.054 16.083 -2.646 219 2HB GLU 31 2HB GLU 31 -4.219 14.962 -3.339 220 1HG GLU 31 1HG GLU 31 -3.568 13.253 -1.676 221 2HG GLU 31 2HG GLU 31 -2.444 14.417 -0.926 222 H GLY 32 H GLY 32 -0.012 15.342 -2.759 223 1HA GLY 32 1HA GLY 32 1.011 16.731 -5.046 224 2HA GLY 32 2HA GLY 32 0.401 17.812 -3.762 225 H THR 33 H THR 33 3.090 17.430 -4.516 226 HA THR 33 HA THR 33 5.223 17.051 -3.750 227 HB THR 33 HB THR 33 4.002 17.726 -1.054 228 HG1 THR 33 HG1 THR 33 3.239 19.158 -2.587 229 1HG2 THR 33 1HG2 THR 33 6.449 17.212 -1.027 230 2HG2 THR 33 2HG2 THR 33 6.700 18.381 -2.344 231 3HG2 THR 33 3HG2 THR 33 6.139 18.935 -0.755 232 HA PRO 34 HA PRO 34 3.810 12.837 -2.517 233 1HB PRO 34 1HB PRO 34 5.842 11.385 -3.770 234 2HB PRO 34 2HB PRO 34 4.203 11.701 -4.405 235 1HG PRO 34 1HG PRO 34 6.729 13.206 -4.971 236 2HG PRO 34 2HG PRO 34 5.378 12.826 -6.090 237 1HD PRO 34 1HD PRO 34 5.669 15.291 -5.032 238 2HD PRO 34 2HD PRO 34 4.037 14.572 -5.157 239 H ALA 35 H ALA 35 7.294 13.475 -2.740 240 HA ALA 35 HA ALA 35 8.989 13.534 -1.322 241 1HB ALA 35 1HB ALA 35 6.918 13.488 0.905 242 2HB ALA 35 2HB ALA 35 8.607 14.014 1.019 243 3HB ALA 35 3HB ALA 35 7.464 14.923 0.011 244 H LYS 36 H LYS 36 6.698 11.187 -0.056 245 HA LYS 36 HA LYS 36 7.310 8.847 -0.002 246 1HB LYS 36 1HB LYS 36 8.984 8.070 1.509 247 2HB LYS 36 2HB LYS 36 9.779 9.071 0.341 248 1HG LYS 36 1HG LYS 36 10.290 10.712 1.908 249 2HG LYS 36 2HG LYS 36 8.915 10.387 2.951 250 1HD LYS 36 1HD LYS 36 11.243 8.468 2.558 251 2HD LYS 36 2HD LYS 36 11.147 9.624 3.893 252 1HE LYS 36 1HE LYS 36 9.619 8.385 5.070 253 2HE LYS 36 2HE LYS 36 8.669 8.006 3.652 254 1HZ LYS 36 1HZ LYS 36 10.542 6.421 3.060 255 2HZ LYS 36 2HZ LYS 36 10.919 6.447 4.669 256 3HZ LYS 36 3HZ LYS 36 9.443 5.953 4.052 257 H ILE 37 H ILE 37 6.331 7.624 1.679 258 HA ILE 37 HA ILE 37 4.616 9.365 3.376 259 HB ILE 37 HB ILE 37 3.926 6.589 2.448 260 1HG1 ILE 37 1HG1 ILE 37 3.694 9.122 0.802 261 2HG1 ILE 37 2HG1 ILE 37 4.555 7.613 0.425 262 1HG2 ILE 37 1HG2 ILE 37 2.222 9.059 3.020 263 2HG2 ILE 37 2HG2 ILE 37 1.627 7.414 2.727 264 3HG2 ILE 37 3HG2 ILE 37 2.538 7.766 4.194 265 1HD1 ILE 37 1HD1 ILE 37 2.329 6.414 0.429 266 2HD1 ILE 37 2HD1 ILE 37 1.542 8.009 0.536 267 3HD1 ILE 37 3HD1 ILE 37 2.534 7.607 -0.864 268 H ALA 38 H ALA 38 6.415 6.395 3.319 269 HA ALA 38 HA ALA 38 7.099 4.879 4.898 270 1HB ALA 38 1HB ALA 38 8.017 6.827 6.073 271 2HB ALA 38 2HB ALA 38 6.514 6.983 7.004 272 3HB ALA 38 3HB ALA 38 7.501 5.520 7.162 273 H ILE 39 H ILE 39 5.151 3.832 3.994 274 HA ILE 39 HA ILE 39 2.844 3.732 5.866 275 HB ILE 39 HB ILE 39 3.257 2.413 3.186 276 1HG1 ILE 39 1HG1 ILE 39 2.809 4.809 3.049 277 2HG1 ILE 39 2HG1 ILE 39 1.410 3.860 2.585 278 1HG2 ILE 39 1HG2 ILE 39 1.165 2.087 5.346 279 2HG2 ILE 39 2HG2 ILE 39 0.684 1.976 3.654 280 3HG2 ILE 39 3HG2 ILE 39 1.902 0.863 4.286 281 1HD1 ILE 39 1HD1 ILE 39 0.536 5.653 3.846 282 2HD1 ILE 39 2HD1 ILE 39 0.496 4.279 4.956 283 3HD1 ILE 39 3HD1 ILE 39 1.772 5.507 5.101 284 H ASP 40 H ASP 40 3.874 3.189 7.508 285 HA ASP 40 HA ASP 40 5.187 0.522 7.852 286 1HB ASP 40 1HB ASP 40 5.030 2.998 9.455 287 2HB ASP 40 2HB ASP 40 4.718 1.614 10.420 288 H LYS 41 H LYS 41 4.378 -0.646 9.570 289 HA LYS 41 HA LYS 41 1.944 -1.840 9.690 290 1HB LYS 41 1HB LYS 41 2.493 -2.399 12.007 291 2HB LYS 41 2HB LYS 41 3.792 -2.643 10.854 292 1HG LYS 41 1HG LYS 41 4.672 -0.272 11.628 293 2HG LYS 41 2HG LYS 41 3.516 -0.470 12.944 294 1HD LYS 41 1HD LYS 41 5.558 -1.106 13.765 295 2HD LYS 41 2HD LYS 41 4.663 -2.609 13.550 296 1HE LYS 41 1HE LYS 41 7.100 -2.798 12.949 297 2HE LYS 41 2HE LYS 41 6.018 -3.196 11.621 298 1HZ LYS 41 1HZ LYS 41 6.371 -1.141 10.635 299 2HZ LYS 41 2HZ LYS 41 7.430 -0.564 11.656 300 3HZ LYS 41 3HZ LYS 41 7.675 -1.954 10.697 301 H LYS 42 H LYS 42 2.840 1.062 11.488 302 HA LYS 42 HA LYS 42 0.535 1.608 12.889 303 1HB LYS 42 1HB LYS 42 2.763 3.277 11.682 304 2HB LYS 42 2HB LYS 42 1.443 4.156 12.426 305 1HG LYS 42 1HG LYS 42 2.604 1.882 13.995 306 2HG LYS 42 2HG LYS 42 3.606 3.310 13.755 307 1HD LYS 42 1HD LYS 42 2.395 3.476 15.847 308 2HD LYS 42 2HD LYS 42 1.962 4.789 14.768 309 1HE LYS 42 1HE LYS 42 0.246 2.266 15.159 310 2HE LYS 42 2HE LYS 42 0.111 3.711 16.158 311 1HZ LYS 42 1HZ LYS 42 -0.375 4.973 14.120 312 2HZ LYS 42 2HZ LYS 42 -0.538 3.567 13.282 313 3HZ LYS 42 3HZ LYS 42 -1.513 3.870 14.543 314 H SER 43 H SER 43 1.105 2.423 9.527 315 HA SER 43 HA SER 43 -1.529 3.834 9.361 316 1HB SER 43 1HB SER 43 0.887 3.858 7.519 317 2HB SER 43 2HB SER 43 -0.624 4.763 7.305 318 HG SER 43 HG SER 43 -0.187 5.881 9.191 319 H ALA 44 H ALA 44 0.569 1.502 7.735 320 HA ALA 44 HA ALA 44 -0.896 0.492 5.655 321 1HB ALA 44 1HB ALA 44 1.464 -0.045 6.348 322 2HB ALA 44 2HB ALA 44 0.819 -1.078 7.623 323 3HB ALA 44 3HB ALA 44 0.481 -1.479 5.926 324 H HIS 45 H HIS 45 -0.959 -0.636 9.085 325 HA HIS 45 HA HIS 45 -3.230 -2.453 8.454 326 1HB HIS 45 1HB HIS 45 -1.088 -2.306 10.577 327 2HB HIS 45 2HB HIS 45 -2.618 -3.045 10.972 328 HD1 HIS 45 HND HIS 45 -3.066 -5.372 10.253 329 HD2 HIS 45 HD HIS 45 0.301 -3.637 8.415 330 HE1 HIS 45 HE HIS 45 -1.865 -7.229 9.069 331 H LYS 46 H LYS 46 -3.335 0.658 8.788 332 HA LYS 46 HA LYS 46 -5.525 0.641 10.829 333 1HB LYS 46 1HB LYS 46 -3.414 1.515 11.710 334 2HB LYS 46 2HB LYS 46 -3.360 2.735 10.446 335 1HG LYS 46 1HG LYS 46 -5.616 2.483 12.505 336 2HG LYS 46 2HG LYS 46 -4.147 3.462 12.715 337 1HD LYS 46 1HD LYS 46 -4.702 4.548 10.512 338 2HD LYS 46 2HD LYS 46 -6.345 3.868 10.671 339 1HE LYS 46 1HE LYS 46 -6.661 5.153 12.754 340 2HE LYS 46 2HE LYS 46 -4.990 5.750 12.650 341 1HZ LYS 46 1HZ LYS 46 -6.453 7.393 11.759 342 2HZ LYS 46 2HZ LYS 46 -5.563 6.764 10.521 343 3HZ LYS 46 3HZ LYS 46 -7.118 6.322 10.697 344 H ASP 47 H ASP 47 -4.146 2.952 8.413 345 HA ASP 47 HA ASP 47 -6.885 3.241 7.282 346 1HB ASP 47 1HB ASP 47 -6.452 5.695 7.139 347 2HB ASP 47 2HB ASP 47 -6.672 5.077 8.766 348 H ALA 48 H ALA 48 -3.529 2.929 6.495 349 HA ALA 48 HA ALA 48 -3.980 4.054 3.816 350 1HB ALA 48 1HB ALA 48 -1.674 3.298 3.379 351 2HB ALA 48 2HB ALA 48 -1.849 4.330 4.811 352 3HB ALA 48 3HB ALA 48 -1.614 2.589 5.012 353 H CYS 49 H CYS 49 -2.384 0.982 4.039 354 HA CYS 49 HA CYS 49 -3.364 0.277 1.530 355 1HB CYS 49 1HB CYS 49 -2.384 -1.700 3.577 356 2HB CYS 49 2HB CYS 49 -2.301 -1.855 1.824 357 H LYS 50 H LYS 50 -4.350 -1.098 4.695 358 HA LYS 50 HA LYS 50 -6.211 -2.915 3.569 359 1HB LYS 50 1HB LYS 50 -6.057 -1.815 6.386 360 2HB LYS 50 2HB LYS 50 -7.086 -3.150 5.867 361 1HG LYS 50 1HG LYS 50 -4.498 -3.785 4.857 362 2HG LYS 50 2HG LYS 50 -4.208 -3.111 6.446 363 1HD LYS 50 1HD LYS 50 -4.375 -5.475 6.662 364 2HD LYS 50 2HD LYS 50 -5.840 -4.787 7.387 365 1HE LYS 50 1HE LYS 50 -7.123 -5.341 5.324 366 2HE LYS 50 2HE LYS 50 -5.661 -5.934 4.532 367 1HZ LYS 50 1HZ LYS 50 -5.658 -7.832 5.941 368 2HZ LYS 50 2HZ LYS 50 -6.710 -7.135 7.007 369 3HZ LYS 50 3HZ LYS 50 -7.205 -7.606 5.534 370 H THR 51 H THR 51 -6.660 0.555 4.140 371 HA THR 51 HA THR 51 -9.551 0.368 4.410 372 HB THR 51 HB THR 51 -7.724 2.681 3.664 373 HG1 THR 51 HG1 THR 51 -7.624 1.970 5.788 374 1HG2 THR 51 1HG2 THR 51 -9.918 3.156 2.660 375 2HG2 THR 51 2HG2 THR 51 -10.733 2.679 4.170 376 3HG2 THR 51 3HG2 THR 51 -9.690 4.116 4.127 377 H CYS 52 H CYS 52 -7.455 1.364 1.651 378 HA CYS 52 HA CYS 52 -9.419 1.242 -0.401 379 1HB CYS 52 1HB CYS 52 -6.427 0.815 -0.242 380 2HB CYS 52 2HB CYS 52 -7.323 0.329 -1.685 381 H HIS 53 H HIS 53 -7.135 -1.278 0.768 382 HA HIS 53 HA HIS 53 -8.015 -3.153 -1.157 383 1HB HIS 53 1HB HIS 53 -6.419 -3.323 1.388 384 2HB HIS 53 2HB HIS 53 -6.957 -4.784 0.563 385 HD1 HIS 53 HND HIS 53 -4.767 -5.621 -0.390 386 HD2 HIS 53 HD HIS 53 -5.498 -1.580 -1.341 387 HE1 HIS 53 HE HIS 53 -3.110 -4.964 -2.132 388 H LYS 54 H LYS 54 -9.418 -2.405 2.033 389 HA LYS 54 HA LYS 54 -11.220 -4.660 2.070 390 1HB LYS 54 1HB LYS 54 -11.270 -1.949 3.364 391 2HB LYS 54 2HB LYS 54 -12.638 -3.070 3.442 392 1HG LYS 54 1HG LYS 54 -11.334 -4.788 4.542 393 2HG LYS 54 2HG LYS 54 -9.832 -3.988 4.099 394 1HD LYS 54 1HD LYS 54 -9.960 -3.485 6.312 395 2HD LYS 54 2HD LYS 54 -10.547 -2.016 5.549 396 1HE LYS 54 1HE LYS 54 -12.212 -4.225 6.892 397 2HE LYS 54 2HE LYS 54 -11.874 -2.621 7.554 398 1HZ LYS 54 1HZ LYS 54 -13.107 -1.692 5.674 399 2HZ LYS 54 2HZ LYS 54 -13.503 -3.213 5.184 400 3HZ LYS 54 3HZ LYS 54 -14.038 -2.657 6.631 401 H SER 55 H SER 55 -11.548 -1.239 0.760 402 HA SER 55 HA SER 55 -14.197 -1.898 -0.329 403 1HB SER 55 1HB SER 55 -13.899 0.505 -1.221 404 2HB SER 55 2HB SER 55 -14.034 0.262 0.526 405 HG SER 55 HG SER 55 -12.271 1.656 -0.122 406 H ASN 56 H ASN 56 -12.407 -3.742 -1.351 407 HA ASN 56 HA ASN 56 -12.584 -3.287 -4.207 408 1HB ASN 56 1HB ASN 56 -9.898 -3.264 -2.761 409 2HB ASN 56 2HB ASN 56 -10.031 -4.007 -4.349 410 1HD2 ASN 56 1HD2 ASN 56 -9.970 -0.952 -2.669 411 2HD2 ASN 56 2HD2 ASN 56 -9.990 0.041 -4.122 412 H ASN 57 H ASN 57 -11.867 -5.316 -5.307 413 HA ASN 57 HA ASN 57 -12.562 -7.748 -3.783 414 1HB ASN 57 1HB ASN 57 -11.663 -7.243 -6.649 415 2HB ASN 57 2HB ASN 57 -11.934 -8.858 -5.987 416 1HD2 ASN 57 1HD2 ASN 57 -14.101 -9.482 -5.282 417 2HD2 ASN 57 2HD2 ASN 57 -15.483 -8.625 -5.945 418 H GLY 58 H GLY 58 -10.804 -7.026 -2.212 419 1HA GLY 58 1HA GLY 58 -8.038 -7.792 -3.105 420 2HA GLY 58 2HA GLY 58 -8.480 -6.465 -2.017 421 HA PRO 59 HA PRO 59 -7.279 -10.417 0.301 422 1HB PRO 59 1HB PRO 59 -5.220 -9.366 1.785 423 2HB PRO 59 2HB PRO 59 -5.027 -9.976 0.115 424 1HG PRO 59 1HG PRO 59 -5.525 -7.106 0.973 425 2HG PRO 59 2HG PRO 59 -4.212 -7.683 -0.096 426 1HD PRO 59 1HD PRO 59 -6.444 -6.707 -1.194 427 2HD PRO 59 2HD PRO 59 -5.757 -8.217 -1.850 428 H THR 60 H THR 60 -8.529 -10.879 2.010 429 HA THR 60 HA THR 60 -9.984 -8.762 3.380 430 HB THR 60 HB THR 60 -11.046 -10.920 4.355 431 HG1 THR 60 HG1 THR 60 -10.357 -12.692 2.714 432 1HG2 THR 60 1HG2 THR 60 -12.015 -9.711 2.409 433 2HG2 THR 60 2HG2 THR 60 -10.963 -10.619 1.309 434 3HG2 THR 60 3HG2 THR 60 -12.214 -11.463 2.246 435 H LYS 61 H LYS 61 -8.306 -11.685 4.397 436 HA LYS 61 HA LYS 61 -7.369 -10.458 6.932 437 1HB LYS 61 1HB LYS 61 -7.107 -13.286 5.830 438 2HB LYS 61 2HB LYS 61 -6.497 -12.728 7.404 439 1HG LYS 61 1HG LYS 61 -8.809 -12.096 8.060 440 2HG LYS 61 2HG LYS 61 -9.409 -12.669 6.490 441 1HD LYS 61 1HD LYS 61 -8.543 -14.944 6.990 442 2HD LYS 61 2HD LYS 61 -7.967 -14.373 8.571 443 1HE LYS 61 1HE LYS 61 -10.306 -13.793 9.218 444 2HE LYS 61 2HE LYS 61 -10.885 -14.337 7.634 445 1HZ LYS 61 1HZ LYS 61 -10.130 -16.551 8.184 446 2HZ LYS 61 2HZ LYS 61 -9.593 -16.048 9.658 447 3HZ LYS 61 3HZ LYS 61 -11.197 -16.005 9.308 448 H CYS 62 H CYS 62 -5.407 -12.659 4.981 449 HA CYS 62 HA CYS 62 -3.274 -10.645 4.836 450 1HB CYS 62 1HB CYS 62 -2.638 -13.440 5.673 451 2HB CYS 62 2HB CYS 62 -1.703 -11.954 5.922 452 H GLY 63 H GLY 63 -1.228 -12.272 3.958 453 1HA GLY 63 1HA GLY 63 -0.463 -13.563 2.207 454 2HA GLY 63 2HA GLY 63 -2.122 -13.830 1.651 455 H GLY 64 H GLY 64 -2.978 -11.231 1.368 456 1HA GLY 64 1HA GLY 64 -2.615 -10.304 -1.092 457 2HA GLY 64 2HA GLY 64 -2.760 -9.230 0.323 458 H CYS 65 H CYS 65 -0.633 -9.012 1.564 459 HA CYS 65 HA CYS 65 1.049 -7.565 -0.406 460 1HB CYS 65 1HB CYS 65 0.607 -7.069 2.515 461 2HB CYS 65 2HB CYS 65 1.257 -5.933 1.321 462 H HIS 66 H HIS 66 1.304 -9.408 2.642 463 HA HIS 66 HA HIS 66 4.219 -9.472 2.629 464 1HB HIS 66 1HB HIS 66 2.247 -11.198 4.173 465 2HB HIS 66 2HB HIS 66 3.973 -11.142 4.386 466 HD1 HIS 66 HND HIS 66 5.013 -8.992 5.706 467 HD2 HIS 66 HD HIS 66 0.814 -9.075 5.245 468 HE1 HIS 66 HE HIS 66 4.010 -7.230 7.253 469 H ILE 67 H ILE 67 5.376 -10.894 1.360 470 HA ILE 67 HA ILE 67 3.929 -12.990 -0.156 471 HB ILE 67 HB ILE 67 6.852 -12.205 -0.273 472 1HG1 ILE 67 1HG1 ILE 67 4.304 -11.376 -1.719 473 2HG1 ILE 67 2HG1 ILE 67 5.611 -10.365 -1.086 474 1HG2 ILE 67 1HG2 ILE 67 6.358 -14.599 -0.877 475 2HG2 ILE 67 2HG2 ILE 67 5.139 -14.035 -2.032 476 3HG2 ILE 67 3HG2 ILE 67 6.863 -13.660 -2.268 477 1HD1 ILE 67 1HD1 ILE 67 5.700 -10.379 -3.488 478 2HD1 ILE 67 2HD1 ILE 67 7.089 -11.326 -2.892 479 3HD1 ILE 67 3HD1 ILE 67 5.634 -12.152 -3.531 480 H LYS 68 H LYS 68 3.261 -14.133 1.406 481 HA LYS 68 HA LYS 68 3.193 -16.119 2.617 482 1HB LYS 68 1HB LYS 68 5.694 -16.572 1.879 483 2HB LYS 68 2HB LYS 68 6.085 -15.862 3.446 484 1HG LYS 68 1HG LYS 68 6.036 -18.139 3.916 485 2HG LYS 68 2HG LYS 68 4.472 -17.566 4.478 486 1HD LYS 68 1HD LYS 68 4.036 -19.594 3.358 487 2HD LYS 68 2HD LYS 68 3.492 -18.336 2.240 488 1HE LYS 68 1HE LYS 68 5.651 -18.569 0.962 489 2HE LYS 68 2HE LYS 68 6.190 -19.795 2.119 490 1HZ LYS 68 1HZ LYS 68 5.314 -20.762 0.131 491 2HZ LYS 68 2HZ LYS 68 4.353 -21.169 1.401 492 3HZ LYS 68 3HZ LYS 68 3.863 -20.017 0.329 493 HHA HEC 69 HCM HEC 69 8.163 7.288 -1.397 494 HHB HEC 69 HDM HEC 69 6.518 10.487 -6.652 495 HHC HEC 69 HAM HEC 69 1.226 6.892 -7.140 496 HHD HEC 69 HBM HEC 69 2.628 4.266 -1.523 497 1HMA HEC 69 HM81 HEC 69 9.381 10.288 -6.192 498 2HMA HEC 69 HM82 HEC 69 8.252 11.575 -5.702 499 3HMA HEC 69 HM83 HEC 69 9.629 11.172 -4.673 500 1HAA HEC 69 HP71 HEC 69 10.127 9.944 -2.573 501 2HAA HEC 69 HP72 HEC 69 9.934 8.242 -2.165 502 1HBA HEC 69 HP73 HEC 69 11.146 9.391 -4.659 503 2HBA HEC 69 HP74 HEC 69 11.854 8.307 -3.468 504 1HMB HEC 69 HM11 HEC 69 3.779 11.424 -8.655 505 2HMB HEC 69 HM12 HEC 69 5.498 11.199 -8.357 506 3HMB HEC 69 HM13 HEC 69 4.729 10.301 -9.663 507 HAB HEC 69 HT2A HEC 69 1.185 8.278 -8.708 508 1HBB HEC 69 HT21 HEC 69 2.846 8.775 -10.572 509 2HBB HEC 69 HT22 HEC 69 1.188 9.363 -10.727 510 3HBB HEC 69 HT23 HEC 69 2.463 10.491 -10.279 511 1HMC HEC 69 HM31 HEC 69 -0.152 4.779 -6.728 512 2HMC HEC 69 HM32 HEC 69 -1.146 4.687 -5.263 513 3HMC HEC 69 HM33 HEC 69 -0.785 6.258 -5.972 514 HAC HEC 69 HT4A HEC 69 0.579 4.080 -1.796 515 1HBC HEC 69 HT41 HEC 69 -0.912 2.814 -4.090 516 2HBC HEC 69 HT42 HEC 69 0.619 2.165 -3.469 517 3HBC HEC 69 HT43 HEC 69 -0.805 2.279 -2.418 518 1HMD HEC 69 HM51 HEC 69 5.413 3.535 0.858 519 2HMD HEC 69 HM52 HEC 69 3.905 4.454 1.060 520 3HMD HEC 69 HM53 HEC 69 4.021 3.156 -0.148 521 1HAD HEC 69 HP61 HEC 69 7.663 6.673 0.553 522 2HAD HEC 69 HP62 HEC 69 6.602 5.611 1.424 523 1HBD HEC 69 HP63 HEC 69 7.909 3.676 0.627 524 2HBD HEC 69 HP64 HEC 69 8.935 4.778 -0.319 525 HHA HEC 70 HCM HEC 70 -3.475 -5.204 -6.470 526 HHB HEC 70 HDM HEC 70 0.535 -4.308 -1.524 527 HHC HEC 70 HAM HEC 70 -2.330 1.281 -0.353 528 HHD HEC 70 HBM HEC 70 -6.571 0.164 -4.895 529 1HMA HEC 70 HM81 HEC 70 0.193 -7.509 -3.406 530 2HMA HEC 70 HM82 HEC 70 1.405 -6.378 -4.048 531 3HMA HEC 70 HM83 HEC 70 0.913 -6.300 -2.350 532 1HAA HEC 70 HP71 HEC 70 -1.846 -6.789 -6.612 533 2HAA HEC 70 HP72 HEC 70 -0.660 -7.567 -5.585 534 1HBA HEC 70 HP73 HEC 70 -2.444 -8.083 -3.923 535 2HBA HEC 70 HP74 HEC 70 -3.638 -7.366 -5.014 536 1HMB HEC 70 HM11 HEC 70 1.201 -2.214 1.507 537 2HMB HEC 70 HM12 HEC 70 0.504 -3.717 0.902 538 3HMB HEC 70 HM13 HEC 70 1.866 -3.000 0.060 539 HAB HEC 70 HT2A HEC 70 -0.806 1.091 0.997 540 1HBB HEC 70 HT21 HEC 70 1.940 -0.146 1.200 541 2HBB HEC 70 HT22 HEC 70 1.425 0.958 -0.084 542 3HBB HEC 70 HT23 HEC 70 1.426 1.497 1.592 543 1HMC HEC 70 HM31 HEC 70 -3.134 3.344 -1.178 544 2HMC HEC 70 HM32 HEC 70 -4.771 3.842 -1.587 545 3HMC HEC 70 HM33 HEC 70 -4.501 2.836 -0.152 546 HAC HEC 70 HT4A HEC 70 -7.387 1.637 -3.548 547 1HBC HEC 70 HT41 HEC 70 -5.673 4.107 -3.716 548 2HBC HEC 70 HT42 HEC 70 -6.638 3.270 -4.973 549 3HBC HEC 70 HT43 HEC 70 -7.445 4.184 -3.706 550 1HMD HEC 70 HM51 HEC 70 -7.112 -1.669 -8.033 551 2HMD HEC 70 HM52 HEC 70 -8.108 -2.114 -6.634 552 3HMD HEC 70 HM53 HEC 70 -7.394 -0.496 -6.750 553 1HAD HEC 70 HP61 HEC 70 -5.411 -5.138 -7.638 554 2HAD HEC 70 HP62 HEC 70 -6.717 -4.041 -8.020 555 1HBD HEC 70 HP63 HEC 70 -5.054 -2.548 -9.197 556 2HBD HEC 70 HP64 HEC 70 -3.838 -3.810 -8.950 557 HHA HEC 71 HCM HEC 71 4.312 -4.378 9.076 558 HHB HEC 71 HDM HEC 71 1.136 -9.654 10.895 559 HHC HEC 71 HAM HEC 71 -2.617 -9.042 5.797 560 HHD HEC 71 HBM HEC 71 0.676 -4.048 3.819 561 1HMA HEC 71 HM81 HEC 71 2.724 -7.441 13.167 562 2HMA HEC 71 HM82 HEC 71 2.400 -9.065 12.559 563 3HMA HEC 71 HM83 HEC 71 4.065 -8.453 12.634 564 1HAA HEC 71 HP71 HEC 71 4.732 -4.894 11.355 565 2HAA HEC 71 HP72 HEC 71 5.028 -6.351 12.272 566 1HBA HEC 71 HP73 HEC 71 5.962 -6.274 9.412 567 2HBA HEC 71 HP74 HEC 71 6.836 -5.297 10.594 568 1HMB HEC 71 HM11 HEC 71 -1.490 -12.197 9.836 569 2HMB HEC 71 HM12 HEC 71 0.191 -11.841 10.235 570 3HMB HEC 71 HM13 HEC 71 -1.120 -11.024 11.123 571 HAB HEC 71 HT2A HEC 71 -3.686 -10.018 7.340 572 1HBB HEC 71 HT21 HEC 71 -3.817 -9.285 9.670 573 2HBB HEC 71 HT22 HEC 71 -4.947 -10.589 9.259 574 3HBB HEC 71 HT23 HEC 71 -3.491 -10.951 10.196 575 1HMC HEC 71 HM31 HEC 71 -3.909 -7.859 4.032 576 2HMC HEC 71 HM32 HEC 71 -3.094 -7.529 2.485 577 3HMC HEC 71 HM33 HEC 71 -2.610 -8.919 3.448 578 HAC HEC 71 HT4A HEC 71 -0.903 -4.292 2.493 579 1HBC HEC 71 HT41 HEC 71 -3.709 -5.408 2.434 580 2HBC HEC 71 HT42 HEC 71 -3.143 -3.889 3.146 581 3HBC HEC 71 HT43 HEC 71 -3.046 -4.131 1.400 582 1HMD HEC 71 HM51 HEC 71 2.853 -1.321 5.018 583 2HMD HEC 71 HM52 HEC 71 3.570 -2.443 3.880 584 3HMD HEC 71 HM53 HEC 71 1.806 -2.198 3.910 585 1HAD HEC 71 HP61 HEC 71 4.869 -2.046 5.925 586 2HAD HEC 71 HP62 HEC 71 4.229 -1.772 7.506 587 1HBD HEC 71 HP63 HEC 71 5.858 -4.223 7.483 588 2HBD HEC 71 HP64 HEC 71 6.708 -2.956 6.615 Start of MODEL 15 1 1H ALA 1 1H ALA 1 11.013 1.321 -6.746 2 2H ALA 1 2H ALA 1 12.233 2.302 -6.209 3 3H ALA 1 3H ALA 1 10.645 2.689 -5.936 4 HA ALA 1 HA ALA 1 11.465 4.092 -7.624 5 1HB ALA 1 1HB ALA 1 12.126 1.485 -9.067 6 2HB ALA 1 2HB ALA 1 12.167 3.107 -9.799 7 3HB ALA 1 3HB ALA 1 13.266 2.703 -8.473 8 H ASP 2 H ASP 2 10.284 1.822 -9.945 9 HA ASP 2 HA ASP 2 7.578 2.726 -9.924 10 1HB ASP 2 1HB ASP 2 7.535 0.928 -11.764 11 2HB ASP 2 2HB ASP 2 8.757 2.181 -12.056 12 H VAL 3 H VAL 3 9.472 -0.093 -8.930 13 HA VAL 3 HA VAL 3 7.174 -0.768 -7.105 14 HB VAL 3 HB VAL 3 7.519 -2.541 -8.706 15 1HG1 VAL 3 1HG1 VAL 3 9.611 -3.859 -8.789 16 2HG1 VAL 3 2HG1 VAL 3 9.852 -2.209 -9.362 17 3HG1 VAL 3 3HG1 VAL 3 10.407 -2.671 -7.738 18 1HG2 VAL 3 1HG2 VAL 3 7.769 -4.422 -7.233 19 2HG2 VAL 3 2HG2 VAL 3 8.640 -3.457 -6.032 20 3HG2 VAL 3 3HG2 VAL 3 6.919 -3.144 -6.358 21 H VAL 4 H VAL 4 7.677 -1.313 -4.889 22 HA VAL 4 HA VAL 4 10.459 -0.815 -3.980 23 HB VAL 4 HB VAL 4 7.888 0.389 -2.880 24 1HG1 VAL 4 1HG1 VAL 4 10.634 0.240 -1.549 25 2HG1 VAL 4 2HG1 VAL 4 9.352 1.351 -1.044 26 3HG1 VAL 4 3HG1 VAL 4 9.098 -0.382 -0.905 27 1HG2 VAL 4 1HG2 VAL 4 9.120 2.516 -3.041 28 2HG2 VAL 4 2HG2 VAL 4 10.512 1.654 -3.733 29 3HG2 VAL 4 3HG2 VAL 4 8.964 1.738 -4.623 30 H THR 5 H THR 5 10.633 -1.865 -1.705 31 HA THR 5 HA THR 5 8.241 -3.200 -1.004 32 HB THR 5 HB THR 5 9.508 -5.064 -2.124 33 HG1 THR 5 HG1 THR 5 8.271 -5.163 -0.031 34 1HG2 THR 5 1HG2 THR 5 11.559 -5.971 -1.150 35 2HG2 THR 5 2HG2 THR 5 11.832 -4.306 -1.694 36 3HG2 THR 5 3HG2 THR 5 11.626 -4.655 0.035 37 H TYR 6 H TYR 6 7.930 -3.462 1.128 38 HA TYR 6 HA TYR 6 9.937 -2.331 3.010 39 1HB TYR 6 1HB TYR 6 7.200 -3.433 3.631 40 2HB TYR 6 2HB TYR 6 8.278 -2.538 4.701 41 HD1 TYR 6 HD1 TYR 6 5.446 -2.290 2.641 42 HD2 TYR 6 HD2 TYR 6 9.041 -0.122 3.572 43 HE1 TYR 6 HE1 TYR 6 4.353 -0.196 1.953 44 HE2 TYR 6 HE2 TYR 6 7.978 1.954 2.730 45 HH TYR 6 HH TYR 6 4.647 1.993 1.543 46 H GLU 7 H GLU 7 11.551 -3.825 3.302 47 HA GLU 7 HA GLU 7 11.030 -6.650 3.057 48 1HB GLU 7 1HB GLU 7 13.364 -6.939 3.627 49 2HB GLU 7 2HB GLU 7 13.033 -6.020 2.154 50 1HG GLU 7 1HG GLU 7 13.692 -4.591 4.768 51 2HG GLU 7 2HG GLU 7 14.950 -5.196 3.687 52 H ASN 8 H ASN 8 9.500 -6.843 4.616 53 HA ASN 8 HA ASN 8 10.129 -6.423 7.457 54 1HB ASN 8 1HB ASN 8 7.597 -7.699 6.397 55 2HB ASN 8 2HB ASN 8 7.837 -6.819 7.912 56 1HD2 ASN 8 1HD2 ASN 8 6.322 -6.568 5.076 57 2HD2 ASN 8 2HD2 ASN 8 6.426 -4.829 4.837 58 H LYS 9 H LYS 9 10.085 -8.012 9.050 59 HA LYS 9 HA LYS 9 11.172 -10.522 8.323 60 1HB LYS 9 1HB LYS 9 11.165 -9.057 10.617 61 2HB LYS 9 2HB LYS 9 9.798 -10.088 10.997 62 1HG LYS 9 1HG LYS 9 11.564 -11.266 11.957 63 2HG LYS 9 2HG LYS 9 11.384 -12.074 10.400 64 1HD LYS 9 1HD LYS 9 13.705 -11.760 10.670 65 2HD LYS 9 2HD LYS 9 13.223 -10.504 9.516 66 1HE LYS 9 1HE LYS 9 13.203 -8.823 11.394 67 2HE LYS 9 2HE LYS 9 13.626 -10.106 12.536 68 1HZ LYS 9 1HZ LYS 9 15.512 -8.811 11.881 69 2HZ LYS 9 2HZ LYS 9 15.710 -10.358 11.369 70 3HZ LYS 9 3HZ LYS 9 15.299 -9.177 10.295 71 H LYS 10 H LYS 10 7.968 -9.379 8.713 72 HA LYS 10 HA LYS 10 6.457 -11.798 9.102 73 1HB LYS 10 1HB LYS 10 5.701 -9.246 7.633 74 2HB LYS 10 2HB LYS 10 4.575 -10.429 8.306 75 1HG LYS 10 1HG LYS 10 6.464 -8.596 9.808 76 2HG LYS 10 2HG LYS 10 4.721 -8.403 9.555 77 1HD LYS 10 1HD LYS 10 4.471 -9.418 11.577 78 2HD LYS 10 2HD LYS 10 4.747 -10.890 10.679 79 1HE LYS 10 1HE LYS 10 6.105 -10.980 12.615 80 2HE LYS 10 2HE LYS 10 7.219 -10.718 11.267 81 1HZ LYS 10 1HZ LYS 10 6.267 -8.627 13.140 82 2HZ LYS 10 2HZ LYS 10 7.724 -9.347 13.207 83 3HZ LYS 10 3HZ LYS 10 7.384 -8.352 11.991 84 H GLY 11 H GLY 11 7.819 -10.102 6.302 85 1HA GLY 11 1HA GLY 11 7.923 -11.834 4.294 86 2HA GLY 11 2HA GLY 11 6.164 -11.614 4.372 87 H ASN 12 H ASN 12 8.598 -10.592 2.644 88 HA ASN 12 HA ASN 12 8.696 -7.764 3.035 89 1HB ASN 12 1HB ASN 12 9.571 -9.406 0.628 90 2HB ASN 12 2HB ASN 12 10.034 -7.743 0.965 91 1HD2 ASN 12 1HD2 ASN 12 10.160 -9.057 4.050 92 2HD2 ASN 12 2HD2 ASN 12 11.828 -9.568 3.983 93 H VAL 13 H VAL 13 7.294 -6.272 2.330 94 HA VAL 13 HA VAL 13 4.952 -7.243 0.783 95 HB VAL 13 HB VAL 13 5.537 -4.659 2.264 96 1HG1 VAL 13 1HG1 VAL 13 4.075 -3.999 0.505 97 2HG1 VAL 13 2HG1 VAL 13 3.155 -5.520 0.579 98 3HG1 VAL 13 3HG1 VAL 13 3.006 -4.322 1.876 99 1HG2 VAL 13 1HG2 VAL 13 5.102 -6.781 3.576 100 2HG2 VAL 13 2HG2 VAL 13 3.926 -5.492 3.856 101 3HG2 VAL 13 3HG2 VAL 13 3.515 -6.875 2.815 102 H THR 14 H THR 14 5.447 -7.383 -1.362 103 HA THR 14 HA THR 14 7.263 -5.487 -2.642 104 HB THR 14 HB THR 14 7.447 -7.823 -3.148 105 HG1 THR 14 HG1 THR 14 6.416 -6.324 -5.310 106 1HG2 THR 14 1HG2 THR 14 4.672 -7.757 -4.431 107 2HG2 THR 14 2HG2 THR 14 5.817 -9.100 -4.396 108 3HG2 THR 14 3HG2 THR 14 5.055 -8.552 -2.901 109 H PHE 15 H PHE 15 5.486 -3.748 -1.899 110 HA PHE 15 HA PHE 15 3.167 -3.610 -3.628 111 1HB PHE 15 1HB PHE 15 2.664 -1.497 -2.724 112 2HB PHE 15 2HB PHE 15 3.164 -2.560 -1.415 113 HD1 PHE 15 HD1 PHE 15 3.670 0.613 -3.025 114 HD2 PHE 15 HD2 PHE 15 5.526 -2.322 -0.452 115 HE1 PHE 15 HE1 PHE 15 5.207 2.343 -2.134 116 HE2 PHE 15 HE2 PHE 15 7.161 -0.636 0.282 117 HZ PHE 15 HZ PHE 15 6.971 1.685 -0.501 118 H ASP 16 H ASP 16 3.069 -3.038 -5.712 119 HA ASP 16 HA ASP 16 5.137 -1.597 -7.098 120 1HB ASP 16 1HB ASP 16 2.239 -2.222 -7.725 121 2HB ASP 16 2HB ASP 16 3.188 -1.048 -8.661 122 H HIS 17 H HIS 17 5.083 0.520 -7.752 123 HA HIS 17 HA HIS 17 3.690 2.463 -5.954 124 1HB HIS 17 1HB HIS 17 6.175 2.138 -5.624 125 2HB HIS 17 2HB HIS 17 6.442 2.582 -7.288 126 HD1 HIS 17 HND HIS 17 7.597 4.796 -7.173 127 HD2 HIS 17 HD HIS 17 4.211 4.476 -4.695 128 HE1 HIS 17 HE HIS 17 7.100 7.156 -6.258 129 H LYS 18 H LYS 18 5.386 2.220 -9.070 130 HA LYS 18 HA LYS 18 4.083 4.306 -10.460 131 1HB LYS 18 1HB LYS 18 6.132 3.536 -11.260 132 2HB LYS 18 2HB LYS 18 5.606 1.825 -11.270 133 1HG LYS 18 1HG LYS 18 4.260 2.151 -13.170 134 2HG LYS 18 2HG LYS 18 4.390 3.932 -13.019 135 1HD LYS 18 1HD LYS 18 6.835 3.742 -13.554 136 2HD LYS 18 2HD LYS 18 6.663 1.984 -13.618 137 1HE LYS 18 1HE LYS 18 6.726 2.923 -15.884 138 2HE LYS 18 2HE LYS 18 5.192 2.102 -15.558 139 1HZ LYS 18 1HZ LYS 18 4.176 4.235 -15.199 140 2HZ LYS 18 2HZ LYS 18 5.605 5.021 -15.443 141 3HZ LYS 18 3HZ LYS 18 4.888 4.203 -16.677 142 H ALA 19 H ALA 19 3.433 0.743 -10.562 143 HA ALA 19 HA ALA 19 1.207 0.808 -12.247 144 1HB ALA 19 1HB ALA 19 1.348 -0.922 -9.784 145 2HB ALA 19 2HB ALA 19 0.528 -1.268 -11.309 146 3HB ALA 19 3HB ALA 19 2.311 -1.247 -11.255 147 H HIS 20 H HIS 20 1.253 1.173 -8.672 148 HA HIS 20 HA HIS 20 -1.572 1.642 -8.370 149 1HB HIS 20 1HB HIS 20 0.859 2.168 -6.614 150 2HB HIS 20 2HB HIS 20 -0.776 2.662 -6.179 151 HD1 HIS 20 HND HIS 20 -0.104 -0.757 -7.802 152 HD2 HIS 20 HD HIS 20 -1.421 1.064 -4.269 153 HE1 HIS 20 HE HIS 20 -1.219 -2.572 -6.414 154 H ALA 21 H ALA 21 1.003 3.595 -9.605 155 HA ALA 21 HA ALA 21 -0.363 6.164 -9.029 156 1HB ALA 21 1HB ALA 21 1.512 7.204 -10.034 157 2HB ALA 21 2HB ALA 21 2.130 5.933 -8.938 158 3HB ALA 21 3HB ALA 21 2.130 5.690 -10.690 159 H GLU 22 H GLU 22 0.424 4.224 -11.880 160 HA GLU 22 HA GLU 22 -0.764 6.106 -13.739 161 1HB GLU 22 1HB GLU 22 -0.451 4.337 -15.452 162 2HB GLU 22 2HB GLU 22 1.002 4.773 -14.548 163 1HG GLU 22 1HG GLU 22 1.333 2.582 -14.231 164 2HG GLU 22 2HG GLU 22 0.054 2.630 -13.062 165 H LYS 23 H LYS 23 -1.835 2.959 -12.392 166 HA LYS 23 HA LYS 23 -4.337 2.879 -13.648 167 1HB LYS 23 1HB LYS 23 -3.514 1.945 -10.867 168 2HB LYS 23 2HB LYS 23 -5.000 1.444 -11.681 169 1HG LYS 23 1HG LYS 23 -2.200 0.954 -12.832 170 2HG LYS 23 2HG LYS 23 -3.062 -0.170 -11.785 171 1HD LYS 23 1HD LYS 23 -4.915 -0.265 -13.356 172 2HD LYS 23 2HD LYS 23 -4.111 0.843 -14.476 173 1HE LYS 23 1HE LYS 23 -2.705 -1.704 -13.580 174 2HE LYS 23 2HE LYS 23 -3.944 -1.771 -14.842 175 1HZ LYS 23 1HZ LYS 23 -2.640 -0.046 -16.040 176 2HZ LYS 23 2HZ LYS 23 -1.469 -0.160 -14.955 177 3HZ LYS 23 3HZ LYS 23 -1.809 -1.467 -15.851 178 H LEU 24 H LEU 24 -3.483 4.508 -10.557 179 HA LEU 24 HA LEU 24 -6.230 5.498 -10.251 180 1HB LEU 24 1HB LEU 24 -3.660 5.786 -8.651 181 2HB LEU 24 2HB LEU 24 -5.164 6.585 -8.234 182 HG LEU 24 HG LEU 24 -4.616 4.555 -6.977 183 1HD1 LEU 24 1HD1 LEU 24 -6.903 5.462 -7.020 184 2HD1 LEU 24 2HD1 LEU 24 -7.277 4.526 -8.482 185 3HD1 LEU 24 3HD1 LEU 24 -6.967 3.689 -6.957 186 1HD2 LEU 24 1HD2 LEU 24 -5.480 2.910 -9.365 187 2HD2 LEU 24 2HD2 LEU 24 -3.803 3.084 -8.785 188 3HD2 LEU 24 3HD2 LEU 24 -5.020 2.344 -7.748 189 H GLY 25 H GLY 25 -2.953 7.039 -10.382 190 1HA GLY 25 1HA GLY 25 -3.124 9.079 -11.988 191 2HA GLY 25 2HA GLY 25 -4.158 9.714 -10.684 192 H CYS 26 H CYS 26 -3.252 9.789 -8.539 193 HA CYS 26 HA CYS 26 -0.598 9.307 -7.747 194 1HB CYS 26 1HB CYS 26 -0.252 11.239 -9.632 195 2HB CYS 26 2HB CYS 26 -0.812 12.270 -8.343 196 H ASP 27 H ASP 27 -3.118 11.563 -7.788 197 HA ASP 27 HA ASP 27 -3.426 12.968 -5.432 198 1HB ASP 27 1HB ASP 27 -5.827 12.771 -6.104 199 2HB ASP 27 2HB ASP 27 -4.785 13.236 -7.449 200 H ALA 28 H ALA 28 -4.406 9.739 -6.353 201 HA ALA 28 HA ALA 28 -5.822 8.773 -4.273 202 1HB ALA 28 1HB ALA 28 -4.891 6.529 -4.927 203 2HB ALA 28 2HB ALA 28 -5.367 7.570 -6.290 204 3HB ALA 28 3HB ALA 28 -3.647 7.385 -5.882 205 H CYS 29 H CYS 29 -2.289 9.171 -4.238 206 HA CYS 29 HA CYS 29 -2.274 8.411 -1.323 207 1HB CYS 29 1HB CYS 29 -0.104 7.930 -3.336 208 2HB CYS 29 2HB CYS 29 -0.072 7.511 -1.613 209 H HIS 30 H HIS 30 -0.980 10.604 -3.863 210 HA HIS 30 HA HIS 30 0.287 12.250 -1.694 211 1HB HIS 30 1HB HIS 30 1.256 11.798 -4.525 212 2HB HIS 30 2HB HIS 30 1.997 12.850 -3.336 213 HD1 HIS 30 HND HIS 30 3.391 11.577 -1.369 214 HD2 HIS 30 HD HIS 30 2.098 9.431 -4.693 215 HE1 HIS 30 HE HIS 30 5.068 9.586 -1.738 216 H GLU 31 H GLU 31 -0.897 14.071 -1.545 217 HA GLU 31 HA GLU 31 -2.488 15.082 -3.787 218 1HB GLU 31 1HB GLU 31 -1.952 16.323 -1.022 219 2HB GLU 31 2HB GLU 31 -3.077 16.897 -2.255 220 1HG GLU 31 1HG GLU 31 -3.651 14.180 -1.976 221 2HG GLU 31 2HG GLU 31 -3.330 14.692 -0.319 222 H GLY 32 H GLY 32 -0.162 16.728 -1.768 223 1HA GLY 32 1HA GLY 32 0.242 18.804 -3.776 224 2HA GLY 32 2HA GLY 32 0.928 18.767 -2.150 225 H THR 33 H THR 33 2.842 17.409 -1.779 226 HA THR 33 HA THR 33 4.508 17.022 -4.214 227 HB THR 33 HB THR 33 5.413 18.261 -1.595 228 HG1 THR 33 HG1 THR 33 5.453 20.174 -2.864 229 1HG2 THR 33 1HG2 THR 33 7.427 18.853 -2.918 230 2HG2 THR 33 2HG2 THR 33 7.210 17.097 -2.873 231 3HG2 THR 33 3HG2 THR 33 6.758 18.009 -4.330 232 HA PRO 34 HA PRO 34 4.929 13.141 -1.856 233 1HB PRO 34 1HB PRO 34 6.321 11.685 -3.611 234 2HB PRO 34 2HB PRO 34 4.600 12.070 -3.889 235 1HG PRO 34 1HG PRO 34 6.967 13.447 -5.104 236 2HG PRO 34 2HG PRO 34 5.439 12.902 -5.878 237 1HD PRO 34 1HD PRO 34 5.883 15.485 -5.061 238 2HD PRO 34 2HD PRO 34 4.252 14.740 -5.065 239 H ALA 35 H ALA 35 6.478 12.700 -0.316 240 HA ALA 35 HA ALA 35 9.340 12.979 -0.871 241 1HB ALA 35 1HB ALA 35 7.959 14.694 1.246 242 2HB ALA 35 2HB ALA 35 9.716 14.535 1.013 243 3HB ALA 35 3HB ALA 35 8.718 15.292 -0.245 244 H LYS 36 H LYS 36 8.193 10.721 -0.635 245 HA LYS 36 HA LYS 36 7.809 8.808 0.370 246 1HB LYS 36 1HB LYS 36 9.406 9.906 2.729 247 2HB LYS 36 2HB LYS 36 8.771 8.279 2.591 248 1HG LYS 36 1HG LYS 36 10.075 8.117 0.327 249 2HG LYS 36 2HG LYS 36 10.799 9.662 0.783 250 1HD LYS 36 1HD LYS 36 12.309 7.895 1.336 251 2HD LYS 36 2HD LYS 36 11.725 8.650 2.824 252 1HE LYS 36 1HE LYS 36 11.068 6.615 3.581 253 2HE LYS 36 2HE LYS 36 9.884 6.520 2.294 254 1HZ LYS 36 1HZ LYS 36 11.394 5.512 0.852 255 2HZ LYS 36 2HZ LYS 36 12.590 5.419 2.035 256 3HZ LYS 36 3HZ LYS 36 11.088 4.662 2.128 257 H ILE 37 H ILE 37 6.292 7.771 1.556 258 HA ILE 37 HA ILE 37 4.562 9.435 3.356 259 HB ILE 37 HB ILE 37 3.799 6.749 2.220 260 1HG1 ILE 37 1HG1 ILE 37 3.551 9.460 0.902 261 2HG1 ILE 37 2HG1 ILE 37 4.325 7.982 0.296 262 1HG2 ILE 37 1HG2 ILE 37 2.523 7.763 4.161 263 2HG2 ILE 37 2HG2 ILE 37 2.140 9.151 3.128 264 3HG2 ILE 37 3HG2 ILE 37 1.529 7.533 2.723 265 1HD1 ILE 37 1HD1 ILE 37 2.234 8.223 -0.868 266 2HD1 ILE 37 2HD1 ILE 37 2.016 6.898 0.290 267 3HD1 ILE 37 3HD1 ILE 37 1.341 8.508 0.628 268 H ALA 38 H ALA 38 6.275 6.451 2.991 269 HA ALA 38 HA ALA 38 7.277 4.975 4.403 270 1HB ALA 38 1HB ALA 38 8.028 5.685 6.591 271 2HB ALA 38 2HB ALA 38 8.298 6.984 5.405 272 3HB ALA 38 3HB ALA 38 6.956 7.093 6.566 273 H ILE 39 H ILE 39 5.077 4.035 3.824 274 HA ILE 39 HA ILE 39 3.097 3.890 6.000 275 HB ILE 39 HB ILE 39 3.322 2.657 3.231 276 1HG1 ILE 39 1HG1 ILE 39 2.847 5.015 3.195 277 2HG1 ILE 39 2HG1 ILE 39 1.412 4.097 2.769 278 1HG2 ILE 39 1HG2 ILE 39 2.173 1.016 4.468 279 2HG2 ILE 39 2HG2 ILE 39 1.236 2.236 5.360 280 3HG2 ILE 39 3HG2 ILE 39 0.934 1.943 3.636 281 1HD1 ILE 39 1HD1 ILE 39 1.966 5.657 5.314 282 2HD1 ILE 39 2HD1 ILE 39 0.627 5.832 4.175 283 3HD1 ILE 39 3HD1 ILE 39 0.690 4.428 5.248 284 H ASP 40 H ASP 40 3.540 2.872 7.666 285 HA ASP 40 HA ASP 40 5.010 0.311 7.653 286 1HB ASP 40 1HB ASP 40 5.818 0.979 9.810 287 2HB ASP 40 2HB ASP 40 6.123 2.256 8.670 288 H LYS 41 H LYS 41 4.507 -0.725 9.875 289 HA LYS 41 HA LYS 41 2.164 -1.748 10.544 290 1HB LYS 41 1HB LYS 41 3.036 -1.805 12.877 291 2HB LYS 41 2HB LYS 41 4.123 -2.364 11.619 292 1HG LYS 41 1HG LYS 41 5.158 0.064 11.719 293 2HG LYS 41 2HG LYS 41 4.238 0.228 13.184 294 1HD LYS 41 1HD LYS 41 5.984 -0.630 14.246 295 2HD LYS 41 2HD LYS 41 5.580 -2.214 13.598 296 1HE LYS 41 1HE LYS 41 7.392 -0.191 12.164 297 2HE LYS 41 2HE LYS 41 8.019 -1.406 13.287 298 1HZ LYS 41 1HZ LYS 41 6.397 -2.181 10.987 299 2HZ LYS 41 2HZ LYS 41 7.919 -1.985 10.727 300 3HZ LYS 41 3HZ LYS 41 7.474 -3.128 11.836 301 H LYS 42 H LYS 42 0.400 -1.111 11.240 302 HA LYS 42 HA LYS 42 -1.355 0.039 12.049 303 1HB LYS 42 1HB LYS 42 0.346 1.313 13.555 304 2HB LYS 42 2HB LYS 42 0.254 2.605 12.330 305 1HG LYS 42 1HG LYS 42 -2.227 2.496 12.542 306 2HG LYS 42 2HG LYS 42 -1.998 1.281 13.825 307 1HD LYS 42 1HD LYS 42 -0.787 2.901 15.223 308 2HD LYS 42 2HD LYS 42 -0.645 4.036 13.869 309 1HE LYS 42 1HE LYS 42 -3.118 4.381 13.893 310 2HE LYS 42 2HE LYS 42 -3.235 3.341 15.326 311 1HZ LYS 42 1HZ LYS 42 -1.699 5.857 15.139 312 2HZ LYS 42 2HZ LYS 42 -3.151 5.680 15.886 313 3HZ LYS 42 3HZ LYS 42 -1.823 4.916 16.483 314 H SER 43 H SER 43 0.692 2.401 10.106 315 HA SER 43 HA SER 43 -1.462 3.611 8.886 316 1HB SER 43 1HB SER 43 1.310 3.238 7.672 317 2HB SER 43 2HB SER 43 0.232 4.649 7.565 318 HG SER 43 HG SER 43 2.077 4.010 9.464 319 H ALA 44 H ALA 44 0.663 1.103 7.543 320 HA ALA 44 HA ALA 44 -0.497 0.430 5.124 321 1HB ALA 44 1HB ALA 44 0.698 -1.399 7.250 322 2HB ALA 44 2HB ALA 44 0.502 -1.767 5.523 323 3HB ALA 44 3HB ALA 44 1.612 -0.472 6.060 324 H HIS 45 H HIS 45 -1.155 -1.041 8.259 325 HA HIS 45 HA HIS 45 -3.201 -2.821 7.362 326 1HB HIS 45 1HB HIS 45 -2.286 -1.873 10.097 327 2HB HIS 45 2HB HIS 45 -3.526 -3.097 9.858 328 HD1 HIS 45 HND HIS 45 -1.679 -4.425 11.409 329 HD2 HIS 45 HD HIS 45 -0.859 -3.882 7.303 330 HE1 HIS 45 HE HIS 45 -0.021 -6.209 10.740 331 H LYS 46 H LYS 46 -3.314 0.553 8.389 332 HA LYS 46 HA LYS 46 -6.124 0.599 7.711 333 1HB LYS 46 1HB LYS 46 -6.052 -0.148 10.173 334 2HB LYS 46 2HB LYS 46 -5.471 1.466 10.553 335 1HG LYS 46 1HG LYS 46 -8.076 0.739 9.131 336 2HG LYS 46 2HG LYS 46 -7.904 1.169 10.844 337 1HD LYS 46 1HD LYS 46 -6.945 3.416 10.068 338 2HD LYS 46 2HD LYS 46 -7.517 3.027 8.445 339 1HE LYS 46 1HE LYS 46 -9.260 3.240 10.941 340 2HE LYS 46 2HE LYS 46 -9.078 4.473 9.684 341 1HZ LYS 46 1HZ LYS 46 -10.198 1.788 9.260 342 2HZ LYS 46 2HZ LYS 46 -11.046 3.194 9.348 343 3HZ LYS 46 3HZ LYS 46 -10.005 2.951 8.101 344 H ASP 47 H ASP 47 -5.699 2.049 6.249 345 HA ASP 47 HA ASP 47 -6.298 4.184 5.740 346 1HB ASP 47 1HB ASP 47 -5.988 4.987 8.164 347 2HB ASP 47 2HB ASP 47 -4.319 5.379 7.701 348 H ALA 48 H ALA 48 -4.183 2.241 4.954 349 HA ALA 48 HA ALA 48 -3.150 4.027 2.868 350 1HB ALA 48 1HB ALA 48 -1.327 2.356 4.621 351 2HB ALA 48 2HB ALA 48 -0.855 3.195 3.114 352 3HB ALA 48 3HB ALA 48 -1.412 4.117 4.530 353 H CYS 49 H CYS 49 -2.571 0.571 3.913 354 HA CYS 49 HA CYS 49 -3.051 -0.196 1.099 355 1HB CYS 49 1HB CYS 49 -2.114 -1.960 3.315 356 2HB CYS 49 2HB CYS 49 -1.940 -2.201 1.591 357 H LYS 50 H LYS 50 -3.994 -1.326 4.378 358 HA LYS 50 HA LYS 50 -6.239 -2.867 3.271 359 1HB LYS 50 1HB LYS 50 -4.918 -3.849 4.926 360 2HB LYS 50 2HB LYS 50 -5.045 -2.460 5.992 361 1HG LYS 50 1HG LYS 50 -7.263 -2.998 6.619 362 2HG LYS 50 2HG LYS 50 -7.477 -4.124 5.265 363 1HD LYS 50 1HD LYS 50 -6.390 -5.836 6.301 364 2HD LYS 50 2HD LYS 50 -5.194 -4.801 7.077 365 1HE LYS 50 1HE LYS 50 -8.097 -4.856 8.001 366 2HE LYS 50 2HE LYS 50 -6.905 -6.016 8.601 367 1HZ LYS 50 1HZ LYS 50 -6.421 -3.113 8.763 368 2HZ LYS 50 2HZ LYS 50 -7.176 -3.966 9.967 369 3HZ LYS 50 3HZ LYS 50 -5.633 -4.317 9.521 370 H THR 51 H THR 51 -6.851 -0.681 2.309 371 HA THR 51 HA THR 51 -9.219 0.272 3.725 372 HB THR 51 HB THR 51 -7.564 1.799 4.628 373 HG1 THR 51 HG1 THR 51 -9.663 2.575 4.115 374 1HG2 THR 51 1HG2 THR 51 -6.336 3.385 3.308 375 2HG2 THR 51 2HG2 THR 51 -5.915 1.758 2.739 376 3HG2 THR 51 3HG2 THR 51 -7.017 2.796 1.800 377 H CYS 52 H CYS 52 -7.086 0.835 0.876 378 HA CYS 52 HA CYS 52 -9.190 1.394 -0.967 379 1HB CYS 52 1HB CYS 52 -6.293 0.598 -1.091 380 2HB CYS 52 2HB CYS 52 -7.270 0.394 -2.533 381 H HIS 53 H HIS 53 -7.282 -1.613 -0.539 382 HA HIS 53 HA HIS 53 -8.967 -3.042 -2.338 383 1HB HIS 53 1HB HIS 53 -7.293 -4.685 -0.521 384 2HB HIS 53 2HB HIS 53 -7.507 -4.751 -2.251 385 HD1 HIS 53 HND HIS 53 -5.555 -2.619 0.376 386 HD2 HIS 53 HD HIS 53 -5.500 -3.582 -3.753 387 HE1 HIS 53 HE HIS 53 -3.436 -1.782 -0.578 388 H LYS 54 H LYS 54 -10.952 -2.426 -1.331 389 HA LYS 54 HA LYS 54 -11.987 -4.343 0.742 390 1HB LYS 54 1HB LYS 54 -12.707 -1.483 0.028 391 2HB LYS 54 2HB LYS 54 -13.773 -2.519 0.986 392 1HG LYS 54 1HG LYS 54 -10.887 -1.869 1.695 393 2HG LYS 54 2HG LYS 54 -12.342 -1.043 2.290 394 1HD LYS 54 1HD LYS 54 -12.955 -3.691 2.845 395 2HD LYS 54 2HD LYS 54 -11.198 -3.712 3.033 396 1HE LYS 54 1HE LYS 54 -13.235 -1.910 4.444 397 2HE LYS 54 2HE LYS 54 -12.331 -3.238 5.182 398 1HZ LYS 54 1HZ LYS 54 -11.155 -0.769 4.082 399 2HZ LYS 54 2HZ LYS 54 -11.382 -1.086 5.680 400 3HZ LYS 54 3HZ LYS 54 -10.305 -1.976 4.809 401 H SER 55 H SER 55 -13.147 -2.317 -2.026 402 HA SER 55 HA SER 55 -15.393 -3.978 -2.717 403 1HB SER 55 1HB SER 55 -14.986 -2.570 -4.897 404 2HB SER 55 2HB SER 55 -15.411 -1.694 -3.411 405 HG SER 55 HG SER 55 -13.490 -0.878 -4.560 406 H ASN 56 H ASN 56 -12.248 -3.329 -4.114 407 HA ASN 56 HA ASN 56 -11.927 -5.157 -6.086 408 1HB ASN 56 1HB ASN 56 -9.777 -4.524 -4.019 409 2HB ASN 56 2HB ASN 56 -9.504 -5.136 -5.656 410 1HD2 ASN 56 1HD2 ASN 56 -8.117 -2.884 -5.076 411 2HD2 ASN 56 2HD2 ASN 56 -8.899 -1.483 -5.782 412 H ASN 57 H ASN 57 -11.326 -5.901 -2.593 413 HA ASN 57 HA ASN 57 -12.098 -8.621 -2.905 414 1HB ASN 57 1HB ASN 57 -9.987 -9.695 -2.348 415 2HB ASN 57 2HB ASN 57 -9.837 -8.853 -3.889 416 1HD2 ASN 57 1HD2 ASN 57 -7.534 -9.610 -2.607 417 2HD2 ASN 57 2HD2 ASN 57 -6.736 -8.192 -1.957 418 H GLY 58 H GLY 58 -12.107 -9.718 -0.832 419 1HA GLY 58 1HA GLY 58 -12.305 -7.823 1.482 420 2HA GLY 58 2HA GLY 58 -13.257 -9.265 1.198 421 HA PRO 59 HA PRO 59 -9.037 -10.916 2.718 422 1HB PRO 59 1HB PRO 59 -7.312 -9.230 4.051 423 2HB PRO 59 2HB PRO 59 -7.350 -9.266 2.263 424 1HG PRO 59 1HG PRO 59 -8.821 -7.342 4.095 425 2HG PRO 59 2HG PRO 59 -7.761 -6.927 2.715 426 1HD PRO 59 1HD PRO 59 -10.462 -7.056 2.463 427 2HD PRO 59 2HD PRO 59 -9.397 -7.628 1.147 428 H THR 60 H THR 60 -8.073 -11.213 5.033 429 HA THR 60 HA THR 60 -10.660 -11.716 6.400 430 HB THR 60 HB THR 60 -10.466 -12.730 4.147 431 HG1 THR 60 HG1 THR 60 -11.420 -14.368 4.711 432 1HG2 THR 60 1HG2 THR 60 -9.057 -14.579 3.636 433 2HG2 THR 60 2HG2 THR 60 -8.008 -13.226 4.061 434 3HG2 THR 60 3HG2 THR 60 -8.291 -14.555 5.223 435 H LYS 61 H LYS 61 -7.266 -12.867 6.048 436 HA LYS 61 HA LYS 61 -6.854 -12.085 8.858 437 1HB LYS 61 1HB LYS 61 -5.884 -14.710 7.627 438 2HB LYS 61 2HB LYS 61 -5.291 -14.007 9.151 439 1HG LYS 61 1HG LYS 61 -7.601 -14.089 10.065 440 2HG LYS 61 2HG LYS 61 -8.179 -14.802 8.547 441 1HD LYS 61 1HD LYS 61 -6.688 -16.717 8.818 442 2HD LYS 61 2HD LYS 61 -6.034 -16.030 10.324 443 1HE LYS 61 1HE LYS 61 -8.323 -16.119 11.344 444 2HE LYS 61 2HE LYS 61 -8.955 -16.838 9.853 445 1HZ LYS 61 1HZ LYS 61 -7.506 -18.723 10.231 446 2HZ LYS 61 2HZ LYS 61 -6.925 -18.049 11.617 447 3HZ LYS 61 3HZ LYS 61 -8.503 -18.489 11.515 448 H CYS 62 H CYS 62 -4.473 -13.595 6.787 449 HA CYS 62 HA CYS 62 -3.199 -10.977 6.269 450 1HB CYS 62 1HB CYS 62 -1.714 -13.467 7.131 451 2HB CYS 62 2HB CYS 62 -1.126 -11.791 7.100 452 H GLY 63 H GLY 63 -0.838 -12.439 5.191 453 1HA GLY 63 1HA GLY 63 -0.170 -13.848 3.484 454 2HA GLY 63 2HA GLY 63 -1.857 -14.245 3.125 455 H GLY 64 H GLY 64 -2.972 -11.848 2.636 456 1HA GLY 64 1HA GLY 64 -2.854 -11.130 0.099 457 2HA GLY 64 2HA GLY 64 -3.050 -9.909 1.372 458 H CYS 65 H CYS 65 -0.556 -9.740 2.445 459 HA CYS 65 HA CYS 65 0.983 -8.443 0.221 460 1HB CYS 65 1HB CYS 65 0.679 -7.546 3.059 461 2HB CYS 65 2HB CYS 65 1.333 -6.605 1.709 462 H HIS 66 H HIS 66 1.295 -9.880 3.517 463 HA HIS 66 HA HIS 66 4.201 -10.054 3.317 464 1HB HIS 66 1HB HIS 66 2.277 -11.343 5.277 465 2HB HIS 66 2HB HIS 66 4.020 -11.316 5.418 466 HD1 HIS 66 HND HIS 66 4.996 -8.549 5.229 467 HD2 HIS 66 HD HIS 66 1.104 -9.403 6.612 468 HE1 HIS 66 HE HIS 66 4.162 -6.517 6.620 469 H ILE 67 H ILE 67 4.794 -11.340 1.585 470 HA ILE 67 HA ILE 67 3.592 -13.919 1.019 471 HB ILE 67 HB ILE 67 6.274 -12.803 0.089 472 1HG1 ILE 67 1HG1 ILE 67 4.568 -12.673 -2.070 473 2HG1 ILE 67 2HG1 ILE 67 3.447 -12.289 -0.762 474 1HG2 ILE 67 1HG2 ILE 67 6.041 -14.423 -1.734 475 2HG2 ILE 67 2HG2 ILE 67 6.062 -15.269 -0.185 476 3HG2 ILE 67 3HG2 ILE 67 4.522 -15.027 -1.036 477 1HD1 ILE 67 1HD1 ILE 67 5.111 -10.501 -0.028 478 2HD1 ILE 67 2HD1 ILE 67 6.065 -10.887 -1.467 479 3HD1 ILE 67 3HD1 ILE 67 4.405 -10.258 -1.627 480 H LYS 68 H LYS 68 3.585 -14.907 3.109 481 HA LYS 68 HA LYS 68 5.852 -16.591 3.595 482 1HB LYS 68 1HB LYS 68 6.365 -14.346 4.805 483 2HB LYS 68 2HB LYS 68 4.971 -14.727 5.831 484 1HG LYS 68 1HG LYS 68 6.111 -16.818 6.559 485 2HG LYS 68 2HG LYS 68 7.468 -16.448 5.470 486 1HD LYS 68 1HD LYS 68 7.748 -14.245 6.666 487 2HD LYS 68 2HD LYS 68 6.479 -14.753 7.806 488 1HE LYS 68 1HE LYS 68 7.951 -16.695 8.464 489 2HE LYS 68 2HE LYS 68 9.196 -16.079 7.358 490 1HZ LYS 68 1HZ LYS 68 9.128 -13.980 8.684 491 2HZ LYS 68 2HZ LYS 68 8.133 -14.728 9.745 492 3HZ LYS 68 3HZ LYS 68 9.661 -15.298 9.530 493 HHA HEC 69 HCM HEC 69 8.313 7.207 -1.625 494 HHB HEC 69 HDM HEC 69 6.747 10.952 -6.514 495 HHC HEC 69 HAM HEC 69 1.337 7.535 -7.244 496 HHD HEC 69 HBM HEC 69 2.389 4.964 -1.526 497 1HMA HEC 69 HM81 HEC 69 9.060 10.804 -6.418 498 2HMA HEC 69 HM82 HEC 69 8.903 11.891 -5.011 499 3HMA HEC 69 HM83 HEC 69 10.223 10.716 -5.098 500 1HAA HEC 69 HP71 HEC 69 10.177 7.939 -2.522 501 2HAA HEC 69 HP72 HEC 69 10.745 8.717 -3.979 502 1HBA HEC 69 HP73 HEC 69 10.513 10.948 -2.842 503 2HBA HEC 69 HP74 HEC 69 10.037 10.090 -1.383 504 1HMB HEC 69 HM11 HEC 69 5.731 11.819 -8.159 505 2HMB HEC 69 HM12 HEC 69 5.047 10.945 -9.530 506 3HMB HEC 69 HM13 HEC 69 4.044 12.066 -8.572 507 HAB HEC 69 HT2A HEC 69 1.336 9.050 -8.706 508 1HBB HEC 69 HT21 HEC 69 2.815 11.153 -10.263 509 2HBB HEC 69 HT22 HEC 69 3.058 9.410 -10.544 510 3HBB HEC 69 HT23 HEC 69 1.458 10.134 -10.735 511 1HMC HEC 69 HM31 HEC 69 -0.073 5.596 -6.914 512 2HMC HEC 69 HM32 HEC 69 -1.105 5.244 -5.540 513 3HMC HEC 69 HM33 HEC 69 -0.856 6.922 -6.025 514 HAC HEC 69 HT4A HEC 69 0.311 4.868 -1.886 515 1HBC HEC 69 HT41 HEC 69 0.441 2.928 -3.567 516 2HBC HEC 69 HT42 HEC 69 -0.956 3.036 -2.482 517 3HBC HEC 69 HT43 HEC 69 -1.123 3.537 -4.161 518 1HMD HEC 69 HM51 HEC 69 3.293 4.894 0.654 519 2HMD HEC 69 HM52 HEC 69 4.173 3.534 -0.079 520 3HMD HEC 69 HM53 HEC 69 4.913 4.483 1.230 521 1HAD HEC 69 HP61 HEC 69 8.041 6.365 0.240 522 2HAD HEC 69 HP62 HEC 69 6.877 5.647 1.282 523 1HBD HEC 69 HP63 HEC 69 7.350 3.503 0.624 524 2HBD HEC 69 HP64 HEC 69 7.899 3.988 -0.998 525 HHA HEC 70 HCM HEC 70 -3.364 -5.078 -6.763 526 HHB HEC 70 HDM HEC 70 0.235 -4.561 -1.492 527 HHC HEC 70 HAM HEC 70 -2.080 1.278 -0.476 528 HHD HEC 70 HBM HEC 70 -5.867 0.641 -5.541 529 1HMA HEC 70 HM81 HEC 70 1.099 -6.348 -3.109 530 2HMA HEC 70 HM82 HEC 70 -0.228 -6.987 -2.100 531 3HMA HEC 70 HM83 HEC 70 0.062 -7.654 -3.709 532 1HAA HEC 70 HP71 HEC 70 -1.999 -6.775 -6.728 533 2HAA HEC 70 HP72 HEC 70 -0.657 -7.443 -5.842 534 1HBA HEC 70 HP73 HEC 70 -2.240 -8.419 -4.179 535 2HBA HEC 70 HP74 HEC 70 -3.588 -7.762 -5.115 536 1HMB HEC 70 HM11 HEC 70 1.650 -3.522 -0.109 537 2HMB HEC 70 HM12 HEC 70 1.531 -2.294 1.153 538 3HMB HEC 70 HM13 HEC 70 0.333 -3.597 1.070 539 HAB HEC 70 HT2A HEC 70 -0.620 0.976 0.938 540 1HBB HEC 70 HT21 HEC 70 1.552 1.136 -0.147 541 2HBB HEC 70 HT22 HEC 70 1.677 1.281 1.611 542 3HBB HEC 70 HT23 HEC 70 2.160 -0.219 0.806 543 1HMC HEC 70 HM31 HEC 70 -2.859 3.258 -0.952 544 2HMC HEC 70 HM32 HEC 70 -3.936 4.073 -2.065 545 3HMC HEC 70 HM33 HEC 70 -4.608 3.202 -0.677 546 HAC HEC 70 HT4A HEC 70 -6.807 1.951 -4.180 547 1HBC HEC 70 HT41 HEC 70 -5.392 4.558 -3.629 548 2HBC HEC 70 HT42 HEC 70 -5.381 3.640 -5.157 549 3HBC HEC 70 HT43 HEC 70 -6.907 4.280 -4.509 550 1HMD HEC 70 HM51 HEC 70 -7.238 -0.437 -7.000 551 2HMD HEC 70 HM52 HEC 70 -5.935 -0.008 -8.119 552 3HMD HEC 70 HM53 HEC 70 -6.924 -1.462 -8.413 553 1HAD HEC 70 HP61 HEC 70 -4.839 -4.696 -8.273 554 2HAD HEC 70 HP62 HEC 70 -6.350 -3.814 -8.407 555 1HBD HEC 70 HP63 HEC 70 -5.130 -3.758 -10.493 556 2HBD HEC 70 HP64 HEC 70 -5.225 -2.124 -9.838 557 HHA HEC 71 HCM HEC 71 4.373 -3.737 9.112 558 HHB HEC 71 HDM HEC 71 1.742 -8.970 11.623 559 HHC HEC 71 HAM HEC 71 -2.351 -9.094 6.729 560 HHD HEC 71 HBM HEC 71 0.876 -4.417 3.859 561 1HMA HEC 71 HM81 HEC 71 3.211 -8.240 13.071 562 2HMA HEC 71 HM82 HEC 71 4.642 -7.189 13.098 563 3HMA HEC 71 HM83 HEC 71 3.062 -6.553 13.573 564 1HAA HEC 71 HP71 HEC 71 5.345 -4.051 11.001 565 2HAA HEC 71 HP72 HEC 71 5.222 -5.012 12.467 566 1HBA HEC 71 HP73 HEC 71 6.050 -6.932 10.957 567 2HBA HEC 71 HP74 HEC 71 6.611 -5.684 9.838 568 1HMB HEC 71 HM11 HEC 71 -0.919 -11.595 11.187 569 2HMB HEC 71 HM12 HEC 71 0.767 -11.143 11.403 570 3HMB HEC 71 HM13 HEC 71 -0.514 -10.214 12.225 571 HAB HEC 71 HT2A HEC 71 -3.242 -10.172 8.355 572 1HBB HEC 71 HT21 HEC 71 -2.991 -10.534 11.339 573 2HBB HEC 71 HT22 HEC 71 -3.611 -9.091 10.506 574 3HBB HEC 71 HT23 HEC 71 -4.449 -10.644 10.336 575 1HMC HEC 71 HM31 HEC 71 -2.550 -9.234 4.450 576 2HMC HEC 71 HM32 HEC 71 -3.770 -7.987 4.795 577 3HMC HEC 71 HM33 HEC 71 -2.927 -8.027 3.226 578 HAC HEC 71 HT4A HEC 71 -0.843 -4.733 2.757 579 1HBC HEC 71 HT41 HEC 71 -3.032 -4.671 1.802 580 2HBC HEC 71 HT42 HEC 71 -3.611 -5.928 2.901 581 3HBC HEC 71 HT43 HEC 71 -3.086 -4.361 3.548 582 1HMD HEC 71 HM51 HEC 71 3.584 -2.999 3.573 583 2HMD HEC 71 HM52 HEC 71 1.910 -2.445 3.755 584 3HMD HEC 71 HM53 HEC 71 3.218 -1.529 4.489 585 1HAD HEC 71 HP61 HEC 71 4.754 -1.554 6.041 586 2HAD HEC 71 HP62 HEC 71 4.198 -1.662 7.700 587 1HBD HEC 71 HP63 HEC 71 5.989 -3.821 7.366 588 2HBD HEC 71 HP64 HEC 71 6.730 -2.450 6.522 Start of MODEL 16 1 1H ALA 1 1H ALA 1 11.681 0.794 -8.526 2 2H ALA 1 2H ALA 1 12.861 1.004 -7.371 3 3H ALA 1 3H ALA 1 11.396 0.335 -6.992 4 HA ALA 1 HA ALA 1 11.329 2.499 -6.158 5 1HB ALA 1 1HB ALA 1 13.102 3.522 -7.460 6 2HB ALA 1 2HB ALA 1 12.166 3.374 -8.960 7 3HB ALA 1 3HB ALA 1 11.609 4.453 -7.663 8 H ASP 2 H ASP 2 10.375 2.522 -9.610 9 HA ASP 2 HA ASP 2 7.732 2.404 -9.804 10 1HB ASP 2 1HB ASP 2 8.252 0.669 -11.549 11 2HB ASP 2 2HB ASP 2 9.353 2.047 -11.622 12 H VAL 3 H VAL 3 9.716 -0.345 -8.636 13 HA VAL 3 HA VAL 3 7.311 -1.228 -7.057 14 HB VAL 3 HB VAL 3 9.541 -2.993 -8.153 15 1HG1 VAL 3 1HG1 VAL 3 6.971 -3.659 -6.639 16 2HG1 VAL 3 2HG1 VAL 3 8.062 -4.848 -7.377 17 3HG1 VAL 3 3HG1 VAL 3 8.631 -3.856 -6.031 18 1HG2 VAL 3 1HG2 VAL 3 7.745 -3.976 -9.583 19 2HG2 VAL 3 2HG2 VAL 3 6.635 -2.705 -9.045 20 3HG2 VAL 3 3HG2 VAL 3 8.075 -2.293 -10.000 21 H VAL 4 H VAL 4 7.682 -1.634 -4.859 22 HA VAL 4 HA VAL 4 10.458 -1.581 -3.822 23 HB VAL 4 HB VAL 4 8.204 0.172 -2.840 24 1HG1 VAL 4 1HG1 VAL 4 9.837 0.900 -1.035 25 2HG1 VAL 4 2HG1 VAL 4 9.323 -0.762 -0.815 26 3HG1 VAL 4 3HG1 VAL 4 10.909 -0.424 -1.522 27 1HG2 VAL 4 1HG2 VAL 4 9.472 1.206 -4.615 28 2HG2 VAL 4 2HG2 VAL 4 9.853 1.991 -3.077 29 3HG2 VAL 4 3HG2 VAL 4 11.004 0.831 -3.782 30 H THR 5 H THR 5 10.484 -2.515 -1.616 31 HA THR 5 HA THR 5 7.953 -3.580 -0.799 32 HB THR 5 HB THR 5 9.057 -5.621 -1.676 33 HG1 THR 5 HG1 THR 5 8.185 -5.380 0.609 34 1HG2 THR 5 1HG2 THR 5 11.418 -4.886 -1.713 35 2HG2 THR 5 2HG2 THR 5 11.464 -4.928 0.065 36 3HG2 THR 5 3HG2 THR 5 11.230 -6.423 -0.854 37 H TYR 6 H TYR 6 7.527 -3.532 1.274 38 HA TYR 6 HA TYR 6 9.419 -2.231 3.138 39 1HB TYR 6 1HB TYR 6 6.771 -3.446 3.860 40 2HB TYR 6 2HB TYR 6 7.709 -2.238 4.724 41 HD1 TYR 6 HD1 TYR 6 4.983 -2.823 2.562 42 HD2 TYR 6 HD2 TYR 6 8.100 0.045 3.307 43 HE1 TYR 6 HE1 TYR 6 3.630 -1.085 1.468 44 HE2 TYR 6 HE2 TYR 6 6.816 1.732 2.083 45 HH TYR 6 HH TYR 6 5.029 1.909 0.560 46 H GLU 7 H GLU 7 11.080 -3.752 3.599 47 HA GLU 7 HA GLU 7 10.564 -6.552 3.789 48 1HB GLU 7 1HB GLU 7 12.848 -5.015 4.896 49 2HB GLU 7 2HB GLU 7 12.748 -6.762 4.621 50 1HG GLU 7 1HG GLU 7 12.517 -6.359 2.165 51 2HG GLU 7 2HG GLU 7 12.681 -4.612 2.428 52 H ASN 8 H ASN 8 8.717 -6.241 5.234 53 HA ASN 8 HA ASN 8 9.132 -5.984 8.138 54 1HB ASN 8 1HB ASN 8 6.916 -7.427 8.192 55 2HB ASN 8 2HB ASN 8 6.873 -5.721 7.966 56 1HD2 ASN 8 1HD2 ASN 8 6.587 -4.913 5.871 57 2HD2 ASN 8 2HD2 ASN 8 5.753 -5.828 4.601 58 H LYS 9 H LYS 9 8.938 -7.678 9.596 59 HA LYS 9 HA LYS 9 10.699 -9.839 8.907 60 1HB LYS 9 1HB LYS 9 10.681 -8.470 11.026 61 2HB LYS 9 2HB LYS 9 9.119 -9.192 11.455 62 1HG LYS 9 1HG LYS 9 10.322 -11.462 11.424 63 2HG LYS 9 2HG LYS 9 11.836 -10.552 11.304 64 1HD LYS 9 1HD LYS 9 9.730 -10.407 13.515 65 2HD LYS 9 2HD LYS 9 11.351 -11.114 13.643 66 1HE LYS 9 1HE LYS 9 12.331 -8.818 13.220 67 2HE LYS 9 2HE LYS 9 10.690 -8.143 13.212 68 1HZ LYS 9 1HZ LYS 9 11.929 -9.482 15.507 69 2HZ LYS 9 2HZ LYS 9 11.711 -7.863 15.311 70 3HZ LYS 9 3HZ LYS 9 10.406 -8.847 15.451 71 H LYS 10 H LYS 10 7.274 -9.306 9.413 72 HA LYS 10 HA LYS 10 5.989 -11.777 9.350 73 1HB LYS 10 1HB LYS 10 5.633 -9.156 7.973 74 2HB LYS 10 2HB LYS 10 4.762 -10.473 7.245 75 1HG LYS 10 1HG LYS 10 4.637 -9.621 10.152 76 2HG LYS 10 2HG LYS 10 3.512 -9.121 8.886 77 1HD LYS 10 1HD LYS 10 3.818 -11.891 10.125 78 2HD LYS 10 2HD LYS 10 2.378 -10.864 10.039 79 1HE LYS 10 1HE LYS 10 2.460 -11.150 7.491 80 2HE LYS 10 2HE LYS 10 3.741 -12.343 7.743 81 1HZ LYS 10 1HZ LYS 10 2.190 -13.661 9.020 82 2HZ LYS 10 2HZ LYS 10 0.959 -12.623 8.622 83 3HZ LYS 10 3HZ LYS 10 1.768 -13.486 7.477 84 H GLY 11 H GLY 11 7.004 -10.153 6.352 85 1HA GLY 11 1HA GLY 11 8.854 -11.934 5.419 86 2HA GLY 11 2HA GLY 11 7.344 -12.679 4.893 87 H ASN 12 H ASN 12 8.273 -9.270 5.158 88 HA ASN 12 HA ASN 12 8.648 -7.630 3.741 89 1HB ASN 12 1HB ASN 12 9.336 -9.685 1.665 90 2HB ASN 12 2HB ASN 12 9.880 -8.018 1.752 91 1HD2 ASN 12 1HD2 ASN 12 10.172 -8.767 5.022 92 2HD2 ASN 12 2HD2 ASN 12 11.791 -9.390 4.910 93 H VAL 13 H VAL 13 7.039 -6.362 2.981 94 HA VAL 13 HA VAL 13 4.800 -7.549 1.368 95 HB VAL 13 HB VAL 13 5.108 -4.987 2.945 96 1HG1 VAL 13 1HG1 VAL 13 2.990 -5.735 0.894 97 2HG1 VAL 13 2HG1 VAL 13 2.698 -4.576 2.200 98 3HG1 VAL 13 3HG1 VAL 13 3.945 -4.233 0.996 99 1HG2 VAL 13 1HG2 VAL 13 2.918 -7.081 3.088 100 2HG2 VAL 13 2HG2 VAL 13 4.439 -7.239 3.979 101 3HG2 VAL 13 3HG2 VAL 13 3.373 -5.853 4.292 102 H THR 14 H THR 14 5.102 -7.438 -0.804 103 HA THR 14 HA THR 14 6.749 -5.327 -2.003 104 HB THR 14 HB THR 14 4.983 -7.428 -3.314 105 HG1 THR 14 HG1 THR 14 6.958 -8.570 -3.437 106 1HG2 THR 14 1HG2 THR 14 6.558 -7.097 -5.234 107 2HG2 THR 14 2HG2 THR 14 5.638 -5.631 -4.883 108 3HG2 THR 14 3HG2 THR 14 7.332 -5.763 -4.354 109 H PHE 15 H PHE 15 5.963 -3.563 -3.175 110 HA PHE 15 HA PHE 15 3.096 -3.387 -3.747 111 1HB PHE 15 1HB PHE 15 2.890 -1.100 -2.977 112 2HB PHE 15 2HB PHE 15 3.235 -2.188 -1.642 113 HD1 PHE 15 HD1 PHE 15 4.193 0.881 -3.221 114 HD2 PHE 15 HD2 PHE 15 5.639 -2.366 -0.768 115 HE1 PHE 15 HE1 PHE 15 5.859 2.398 -2.181 116 HE2 PHE 15 HE2 PHE 15 7.333 -0.867 0.203 117 HZ PHE 15 HZ PHE 15 7.434 1.506 -0.454 118 H ASP 16 H ASP 16 2.962 -3.046 -5.866 119 HA ASP 16 HA ASP 16 5.061 -1.898 -7.469 120 1HB ASP 16 1HB ASP 16 2.110 -2.404 -8.029 121 2HB ASP 16 2HB ASP 16 3.334 -1.834 -9.192 122 H HIS 17 H HIS 17 5.590 0.186 -7.188 123 HA HIS 17 HA HIS 17 3.817 2.161 -5.983 124 1HB HIS 17 1HB HIS 17 6.270 1.968 -5.545 125 2HB HIS 17 2HB HIS 17 6.581 2.269 -7.247 126 HD1 HIS 17 HND HIS 17 7.510 4.574 -7.559 127 HD2 HIS 17 HD HIS 17 4.509 4.273 -4.628 128 HE1 HIS 17 HE HIS 17 7.049 6.960 -6.698 129 H LYS 18 H LYS 18 5.584 1.864 -9.053 130 HA LYS 18 HA LYS 18 4.415 3.980 -10.506 131 1HB LYS 18 1HB LYS 18 6.400 3.109 -11.328 132 2HB LYS 18 2HB LYS 18 5.837 1.418 -11.268 133 1HG LYS 18 1HG LYS 18 4.384 1.776 -13.144 134 2HG LYS 18 2HG LYS 18 4.665 3.529 -13.093 135 1HD LYS 18 1HD LYS 18 6.989 3.209 -13.741 136 2HD LYS 18 2HD LYS 18 6.808 1.437 -13.636 137 1HE LYS 18 1HE LYS 18 5.094 1.469 -15.422 138 2HE LYS 18 2HE LYS 18 5.169 3.232 -15.509 139 1HZ LYS 18 1HZ LYS 18 6.399 2.185 -17.244 140 2HZ LYS 18 2HZ LYS 18 7.428 3.033 -16.278 141 3HZ LYS 18 3HZ LYS 18 7.362 1.386 -16.175 142 H ALA 19 H ALA 19 3.554 0.483 -10.544 143 HA ALA 19 HA ALA 19 1.488 0.587 -12.389 144 1HB ALA 19 1HB ALA 19 2.367 -1.484 -11.279 145 2HB ALA 19 2HB ALA 19 1.405 -1.010 -9.839 146 3HB ALA 19 3HB ALA 19 0.588 -1.399 -11.364 147 H HIS 20 H HIS 20 1.115 0.925 -8.795 148 HA HIS 20 HA HIS 20 -1.691 1.495 -8.847 149 1HB HIS 20 1HB HIS 20 0.528 2.139 -6.873 150 2HB HIS 20 2HB HIS 20 -1.131 2.674 -6.659 151 HD1 HIS 20 HND HIS 20 0.842 -0.614 -6.746 152 HD2 HIS 20 HD HIS 20 -2.792 1.048 -5.470 153 HE1 HIS 20 HE HIS 20 -0.275 -2.348 -5.246 154 H ALA 21 H ALA 21 1.238 3.446 -9.285 155 HA ALA 21 HA ALA 21 -0.036 6.019 -9.085 156 1HB ALA 21 1HB ALA 21 2.382 5.488 -10.842 157 2HB ALA 21 2HB ALA 21 1.891 6.962 -10.033 158 3HB ALA 21 3HB ALA 21 2.475 5.574 -9.075 159 H GLU 22 H GLU 22 0.627 4.031 -11.945 160 HA GLU 22 HA GLU 22 -0.611 5.984 -13.726 161 1HB GLU 22 1HB GLU 22 -0.246 4.374 -15.534 162 2HB GLU 22 2HB GLU 22 1.209 4.779 -14.614 163 1HG GLU 22 1HG GLU 22 0.955 2.587 -13.394 164 2HG GLU 22 2HG GLU 22 -0.359 2.179 -14.509 165 H LYS 23 H LYS 23 -1.634 2.803 -12.397 166 HA LYS 23 HA LYS 23 -4.178 2.644 -13.540 167 1HB LYS 23 1HB LYS 23 -3.123 1.932 -10.773 168 2HB LYS 23 2HB LYS 23 -4.669 1.366 -11.392 169 1HG LYS 23 1HG LYS 23 -2.063 0.825 -12.922 170 2HG LYS 23 2HG LYS 23 -2.604 -0.186 -11.568 171 1HD LYS 23 1HD LYS 23 -4.772 -0.475 -12.742 172 2HD LYS 23 2HD LYS 23 -4.116 0.429 -14.131 173 1HE LYS 23 1HE LYS 23 -2.473 -1.285 -14.586 174 2HE LYS 23 2HE LYS 23 -2.721 -2.040 -12.998 175 1HZ LYS 23 1HZ LYS 23 -4.832 -2.740 -13.598 176 2HZ LYS 23 2HZ LYS 23 -4.777 -2.046 -15.093 177 3HZ LYS 23 3HZ LYS 23 -3.778 -3.310 -14.701 178 H LEU 24 H LEU 24 -3.164 4.379 -10.543 179 HA LEU 24 HA LEU 24 -5.952 5.296 -10.160 180 1HB LEU 24 1HB LEU 24 -3.536 5.585 -8.355 181 2HB LEU 24 2HB LEU 24 -5.223 5.884 -7.947 182 HG LEU 24 HG LEU 24 -4.211 3.122 -8.792 183 1HD1 LEU 24 1HD1 LEU 24 -4.246 2.627 -6.356 184 2HD1 LEU 24 2HD1 LEU 24 -2.999 3.798 -6.830 185 3HD1 LEU 24 3HD1 LEU 24 -4.457 4.366 -6.041 186 1HD2 LEU 24 1HD2 LEU 24 -6.777 4.102 -7.479 187 2HD2 LEU 24 2HD2 LEU 24 -6.605 3.351 -9.078 188 3HD2 LEU 24 3HD2 LEU 24 -6.293 2.399 -7.622 189 H GLY 25 H GLY 25 -2.620 6.829 -10.190 190 1HA GLY 25 1HA GLY 25 -2.847 8.879 -11.721 191 2HA GLY 25 2HA GLY 25 -3.846 9.511 -10.387 192 H CYS 26 H CYS 26 -2.903 9.637 -8.290 193 HA CYS 26 HA CYS 26 -0.185 9.112 -7.607 194 1HB CYS 26 1HB CYS 26 -0.067 11.120 -9.477 195 2HB CYS 26 2HB CYS 26 -0.473 12.091 -8.090 196 H ASP 27 H ASP 27 -2.665 11.381 -7.502 197 HA ASP 27 HA ASP 27 -2.848 12.666 -5.024 198 1HB ASP 27 1HB ASP 27 -5.264 12.680 -5.665 199 2HB ASP 27 2HB ASP 27 -4.206 13.211 -6.977 200 H ALA 28 H ALA 28 -4.024 9.597 -6.190 201 HA ALA 28 HA ALA 28 -5.592 8.579 -4.234 202 1HB ALA 28 1HB ALA 28 -5.048 7.540 -6.398 203 2HB ALA 28 2HB ALA 28 -3.452 7.055 -5.781 204 3HB ALA 28 3HB ALA 28 -4.933 6.372 -5.060 205 H CYS 29 H CYS 29 -2.071 8.789 -4.068 206 HA CYS 29 HA CYS 29 -2.185 7.868 -1.201 207 1HB CYS 29 1HB CYS 29 0.111 7.567 -3.121 208 2HB CYS 29 2HB CYS 29 0.036 6.991 -1.445 209 H HIS 30 H HIS 30 -0.516 9.926 -3.641 210 HA HIS 30 HA HIS 30 0.812 11.440 -1.461 211 1HB HIS 30 1HB HIS 30 1.077 11.452 -4.478 212 2HB HIS 30 2HB HIS 30 1.925 12.549 -3.401 213 HD1 HIS 30 HND HIS 30 3.593 11.297 -1.563 214 HD2 HIS 30 HD HIS 30 2.286 9.192 -4.921 215 HE1 HIS 30 HE HIS 30 5.296 9.344 -1.991 216 H GLU 31 H GLU 31 -1.232 12.237 -0.692 217 HA GLU 31 HA GLU 31 -2.939 13.925 -2.089 218 1HB GLU 31 1HB GLU 31 -2.086 13.819 0.803 219 2HB GLU 31 2HB GLU 31 -3.093 15.172 0.252 220 1HG GLU 31 1HG GLU 31 -4.779 13.736 -0.628 221 2HG GLU 31 2HG GLU 31 -3.764 12.326 -0.480 222 H GLY 32 H GLY 32 -2.767 15.646 -3.088 223 1HA GLY 32 1HA GLY 32 -2.108 17.748 -3.849 224 2HA GLY 32 2HA GLY 32 -1.121 17.945 -2.396 225 H THR 33 H THR 33 0.860 16.179 -2.484 226 HA THR 33 HA THR 33 2.118 15.988 -5.087 227 HB THR 33 HB THR 33 2.306 18.404 -4.730 228 HG1 THR 33 HG1 THR 33 4.570 18.535 -4.868 229 1HG2 THR 33 1HG2 THR 33 3.853 17.774 -2.175 230 2HG2 THR 33 2HG2 THR 33 3.577 19.374 -2.884 231 3HG2 THR 33 3HG2 THR 33 2.214 18.455 -2.231 232 HA PRO 34 HA PRO 34 4.120 13.011 -2.500 233 1HB PRO 34 1HB PRO 34 6.042 11.953 -4.088 234 2HB PRO 34 2HB PRO 34 4.322 11.805 -4.531 235 1HG PRO 34 1HG PRO 34 6.241 13.870 -5.498 236 2HG PRO 34 2HG PRO 34 5.144 12.803 -6.449 237 1HD PRO 34 1HD PRO 34 4.449 15.370 -5.813 238 2HD PRO 34 2HD PRO 34 3.240 14.052 -5.819 239 H ALA 35 H ALA 35 5.875 12.564 -1.175 240 HA ALA 35 HA ALA 35 8.471 13.780 -1.498 241 1HB ALA 35 1HB ALA 35 6.697 14.660 0.834 242 2HB ALA 35 2HB ALA 35 8.442 14.968 0.691 243 3HB ALA 35 3HB ALA 35 7.315 15.706 -0.462 244 H LYS 36 H LYS 36 8.211 11.290 -1.737 245 HA LYS 36 HA LYS 36 7.664 9.270 -1.154 246 1HB LYS 36 1HB LYS 36 8.978 8.197 0.545 247 2HB LYS 36 2HB LYS 36 9.932 9.362 -0.366 248 1HG LYS 36 1HG LYS 36 10.065 10.887 1.444 249 2HG LYS 36 2HG LYS 36 8.785 10.075 2.342 250 1HD LYS 36 1HD LYS 36 11.136 9.557 3.161 251 2HD LYS 36 2HD LYS 36 10.100 8.171 2.821 252 1HE LYS 36 1HE LYS 36 12.381 7.807 1.964 253 2HE LYS 36 2HE LYS 36 11.192 7.716 0.699 254 1HZ LYS 36 1HZ LYS 36 11.773 10.104 0.239 255 2HZ LYS 36 2HZ LYS 36 13.132 9.881 1.158 256 3HZ LYS 36 3HZ LYS 36 12.814 9.004 -0.222 257 H ILE 37 H ILE 37 7.116 7.817 1.148 258 HA ILE 37 HA ILE 37 5.318 9.506 2.746 259 HB ILE 37 HB ILE 37 4.538 6.665 1.964 260 1HG1 ILE 37 1HG1 ILE 37 4.334 8.090 0.008 261 2HG1 ILE 37 2HG1 ILE 37 2.949 7.214 0.606 262 1HG2 ILE 37 1HG2 ILE 37 3.630 7.463 4.204 263 2HG2 ILE 37 2HG2 ILE 37 3.072 8.939 3.435 264 3HG2 ILE 37 3HG2 ILE 37 2.343 7.385 2.996 265 1HD1 ILE 37 1HD1 ILE 37 2.337 9.481 -0.202 266 2HD1 ILE 37 2HD1 ILE 37 1.891 9.228 1.475 267 3HD1 ILE 37 3HD1 ILE 37 3.327 10.200 1.089 268 H ALA 38 H ALA 38 5.183 6.393 3.738 269 HA ALA 38 HA ALA 38 7.525 5.394 4.733 270 1HB ALA 38 1HB ALA 38 6.400 7.588 6.505 271 2HB ALA 38 2HB ALA 38 7.456 6.292 7.124 272 3HB ALA 38 3HB ALA 38 8.087 7.436 5.935 273 H ILE 39 H ILE 39 5.618 3.956 3.960 274 HA ILE 39 HA ILE 39 3.463 3.618 6.017 275 HB ILE 39 HB ILE 39 3.856 2.442 3.255 276 1HG1 ILE 39 1HG1 ILE 39 3.352 4.728 3.020 277 2HG1 ILE 39 2HG1 ILE 39 1.858 3.827 2.740 278 1HG2 ILE 39 1HG2 ILE 39 1.532 1.609 3.543 279 2HG2 ILE 39 2HG2 ILE 39 2.656 0.846 4.653 280 3HG2 ILE 39 3HG2 ILE 39 1.580 2.126 5.241 281 1HD1 ILE 39 1HD1 ILE 39 2.629 5.562 5.118 282 2HD1 ILE 39 2HD1 ILE 39 1.218 5.703 4.054 283 3HD1 ILE 39 3HD1 ILE 39 1.315 4.392 5.232 284 H ASP 40 H ASP 40 3.904 2.463 7.588 285 HA ASP 40 HA ASP 40 5.032 -0.230 7.202 286 1HB ASP 40 1HB ASP 40 6.386 -0.120 9.135 287 2HB ASP 40 2HB ASP 40 6.801 1.236 8.140 288 H LYS 41 H LYS 41 4.651 -1.406 9.332 289 HA LYS 41 HA LYS 41 2.435 -2.174 10.273 290 1HB LYS 41 1HB LYS 41 3.415 -2.020 12.632 291 2HB LYS 41 2HB LYS 41 4.338 -2.862 11.388 292 1HG LYS 41 1HG LYS 41 5.807 -0.987 11.065 293 2HG LYS 41 2HG LYS 41 4.809 0.069 12.073 294 1HD LYS 41 1HD LYS 41 5.439 -1.296 14.052 295 2HD LYS 41 2HD LYS 41 6.443 -2.327 12.988 296 1HE LYS 41 1HE LYS 41 7.699 -0.272 12.236 297 2HE LYS 41 2HE LYS 41 6.727 0.720 13.326 298 1HZ LYS 41 1HZ LYS 41 8.845 0.195 14.235 299 2HZ LYS 41 2HZ LYS 41 7.671 -0.491 15.164 300 3HZ LYS 41 3HZ LYS 41 8.566 -1.426 14.135 301 H LYS 42 H LYS 42 0.663 -1.528 10.924 302 HA LYS 42 HA LYS 42 -1.065 -0.422 11.808 303 1HB LYS 42 1HB LYS 42 0.744 0.642 13.415 304 2HB LYS 42 2HB LYS 42 0.493 2.099 12.429 305 1HG LYS 42 1HG LYS 42 -1.981 1.786 12.823 306 2HG LYS 42 2HG LYS 42 -1.553 0.411 13.872 307 1HD LYS 42 1HD LYS 42 -0.206 1.926 15.320 308 2HD LYS 42 2HD LYS 42 -0.531 3.288 14.230 309 1HE LYS 42 1HE LYS 42 -2.959 3.151 14.770 310 2HE LYS 42 2HE LYS 42 -2.641 1.797 15.868 311 1HZ LYS 42 1HZ LYS 42 -1.569 4.529 16.174 312 2HZ LYS 42 2HZ LYS 42 -2.806 3.880 17.039 313 3HZ LYS 42 3HZ LYS 42 -1.289 3.274 17.198 314 H SER 43 H SER 43 1.023 2.062 10.080 315 HA SER 43 HA SER 43 -1.293 3.443 9.151 316 1HB SER 43 1HB SER 43 1.601 3.733 8.878 317 2HB SER 43 2HB SER 43 0.807 3.935 7.310 318 HG SER 43 HG SER 43 -0.611 5.404 8.222 319 H ALA 44 H ALA 44 0.861 1.145 7.610 320 HA ALA 44 HA ALA 44 -0.029 0.194 5.278 321 1HB ALA 44 1HB ALA 44 0.240 -2.034 6.334 322 2HB ALA 44 2HB ALA 44 1.536 -0.849 6.719 323 3HB ALA 44 3HB ALA 44 0.324 -1.268 7.929 324 H HIS 45 H HIS 45 -1.710 -0.599 8.327 325 HA HIS 45 HA HIS 45 -3.826 -2.006 6.836 326 1HB HIS 45 1HB HIS 45 -3.133 -1.786 9.784 327 2HB HIS 45 2HB HIS 45 -4.445 -2.754 9.140 328 HD1 HIS 45 HND HIS 45 -2.759 -4.333 10.829 329 HD2 HIS 45 HD HIS 45 -1.645 -3.645 6.818 330 HE1 HIS 45 HE HIS 45 -1.263 -6.258 10.137 331 H LYS 46 H LYS 46 -3.253 1.061 8.313 332 HA LYS 46 HA LYS 46 -6.052 1.500 9.154 333 1HB LYS 46 1HB LYS 46 -4.077 1.890 10.605 334 2HB LYS 46 2HB LYS 46 -3.503 3.139 9.511 335 1HG LYS 46 1HG LYS 46 -6.061 3.190 11.162 336 2HG LYS 46 2HG LYS 46 -4.522 3.991 11.514 337 1HD LYS 46 1HD LYS 46 -4.982 5.043 9.073 338 2HD LYS 46 2HD LYS 46 -6.652 4.735 9.537 339 1HE LYS 46 1HE LYS 46 -6.211 6.957 10.195 340 2HE LYS 46 2HE LYS 46 -6.047 6.061 11.714 341 1HZ LYS 46 1HZ LYS 46 -3.832 6.874 9.911 342 2HZ LYS 46 2HZ LYS 46 -4.224 7.654 11.301 343 3HZ LYS 46 3HZ LYS 46 -3.621 6.115 11.315 344 H ASP 47 H ASP 47 -3.551 3.406 7.429 345 HA ASP 47 HA ASP 47 -5.704 4.848 5.931 346 1HB ASP 47 1HB ASP 47 -3.936 6.726 5.939 347 2HB ASP 47 2HB ASP 47 -4.911 6.458 7.366 348 H ALA 48 H ALA 48 -2.721 3.047 5.558 349 HA ALA 48 HA ALA 48 -2.344 4.148 2.846 350 1HB ALA 48 1HB ALA 48 -0.459 3.755 4.206 351 2HB ALA 48 2HB ALA 48 -0.838 2.041 4.395 352 3HB ALA 48 3HB ALA 48 -0.396 2.686 2.788 353 H CYS 49 H CYS 49 -2.194 0.659 3.659 354 HA CYS 49 HA CYS 49 -3.077 0.184 0.953 355 1HB CYS 49 1HB CYS 49 -2.360 -1.863 3.025 356 2HB CYS 49 2HB CYS 49 -2.297 -2.025 1.279 357 H LYS 50 H LYS 50 -4.162 -1.269 4.053 358 HA LYS 50 HA LYS 50 -6.448 -2.542 2.858 359 1HB LYS 50 1HB LYS 50 -5.914 -1.800 5.741 360 2HB LYS 50 2HB LYS 50 -7.258 -2.811 5.190 361 1HG LYS 50 1HG LYS 50 -5.681 -4.399 4.160 362 2HG LYS 50 2HG LYS 50 -4.321 -3.409 4.741 363 1HD LYS 50 1HD LYS 50 -5.157 -3.820 7.100 364 2HD LYS 50 2HD LYS 50 -6.357 -4.943 6.436 365 1HE LYS 50 1HE LYS 50 -4.633 -6.374 5.502 366 2HE LYS 50 2HE LYS 50 -3.383 -5.153 5.802 367 1HZ LYS 50 1HZ LYS 50 -4.631 -6.891 7.781 368 2HZ LYS 50 2HZ LYS 50 -3.029 -6.664 7.404 369 3HZ LYS 50 3HZ LYS 50 -3.836 -5.502 8.193 370 H THR 51 H THR 51 -6.005 0.800 3.898 371 HA THR 51 HA THR 51 -8.707 1.450 4.388 372 HB THR 51 HB THR 51 -6.334 2.842 4.400 373 HG1 THR 51 HG1 THR 51 -7.765 3.449 5.771 374 1HG2 THR 51 1HG2 THR 51 -7.989 4.080 2.157 375 2HG2 THR 51 2HG2 THR 51 -6.708 4.880 3.052 376 3HG2 THR 51 3HG2 THR 51 -6.316 3.470 2.062 377 H CYS 52 H CYS 52 -6.887 1.325 1.304 378 HA CYS 52 HA CYS 52 -9.304 1.649 -0.372 379 1HB CYS 52 1HB CYS 52 -6.402 0.883 -0.819 380 2HB CYS 52 2HB CYS 52 -7.633 0.619 -2.048 381 H HIS 53 H HIS 53 -6.997 -0.844 0.575 382 HA HIS 53 HA HIS 53 -8.344 -3.000 -0.714 383 1HB HIS 53 1HB HIS 53 -5.846 -2.699 0.954 384 2HB HIS 53 2HB HIS 53 -6.511 -4.288 0.613 385 HD1 HIS 53 HND HIS 53 -6.287 -5.097 -1.684 386 HD2 HIS 53 HD HIS 53 -4.689 -1.281 -1.090 387 HE1 HIS 53 HE HIS 53 -4.678 -4.575 -3.715 388 H LYS 54 H LYS 54 -10.057 -1.731 1.175 389 HA LYS 54 HA LYS 54 -11.090 -4.222 2.442 390 1HB LYS 54 1HB LYS 54 -11.336 -1.332 3.252 391 2HB LYS 54 2HB LYS 54 -12.548 -2.548 3.717 392 1HG LYS 54 1HG LYS 54 -11.020 -3.829 4.988 393 2HG LYS 54 2HG LYS 54 -9.635 -3.153 4.144 394 1HD LYS 54 1HD LYS 54 -9.522 -2.253 6.266 395 2HD LYS 54 2HD LYS 54 -10.031 -0.941 5.213 396 1HE LYS 54 1HE LYS 54 -11.870 -2.560 7.058 397 2HE LYS 54 2HE LYS 54 -11.171 -0.982 7.441 398 1HZ LYS 54 1HZ LYS 54 -12.337 -0.084 5.515 399 2HZ LYS 54 2HZ LYS 54 -13.075 -1.533 5.276 400 3HZ LYS 54 3HZ LYS 54 -13.364 -0.688 6.653 401 H SER 55 H SER 55 -11.465 -1.845 -0.137 402 HA SER 55 HA SER 55 -14.402 -2.327 -0.275 403 1HB SER 55 1HB SER 55 -13.502 0.011 0.115 404 2HB SER 55 2HB SER 55 -12.823 -0.059 -1.522 405 HG SER 55 HG SER 55 -15.085 -0.638 -2.147 406 H ASN 56 H ASN 56 -11.377 -2.284 -2.267 407 HA ASN 56 HA ASN 56 -12.862 -2.898 -4.705 408 1HB ASN 56 1HB ASN 56 -10.664 -3.202 -5.739 409 2HB ASN 56 2HB ASN 56 -10.847 -1.630 -4.952 410 1HD2 ASN 56 1HD2 ASN 56 -8.274 -2.767 -5.639 411 2HD2 ASN 56 2HD2 ASN 56 -7.444 -3.011 -4.113 412 H ASN 57 H ASN 57 -10.514 -4.733 -2.670 413 HA ASN 57 HA ASN 57 -12.103 -7.035 -2.428 414 1HB ASN 57 1HB ASN 57 -11.563 -7.436 -4.848 415 2HB ASN 57 2HB ASN 57 -9.841 -7.251 -4.477 416 1HD2 ASN 57 1HD2 ASN 57 -9.327 -9.419 -5.177 417 2HD2 ASN 57 2HD2 ASN 57 -9.861 -10.806 -4.248 418 H GLY 58 H GLY 58 -10.729 -8.754 -1.240 419 1HA GLY 58 1HA GLY 58 -8.042 -8.207 -0.564 420 2HA GLY 58 2HA GLY 58 -9.092 -7.646 0.765 421 HA PRO 59 HA PRO 59 -8.597 -12.386 0.988 422 1HB PRO 59 1HB PRO 59 -6.711 -12.628 2.933 423 2HB PRO 59 2HB PRO 59 -6.257 -12.388 1.222 424 1HG PRO 59 1HG PRO 59 -6.496 -10.268 3.381 425 2HG PRO 59 2HG PRO 59 -5.110 -10.566 2.289 426 1HD PRO 59 1HD PRO 59 -6.989 -8.673 1.728 427 2HD PRO 59 2HD PRO 59 -6.278 -9.671 0.423 428 H THR 60 H THR 60 -8.972 -13.609 3.099 429 HA THR 60 HA THR 60 -11.070 -12.249 4.652 430 HB THR 60 HB THR 60 -11.161 -14.718 5.506 431 HG1 THR 60 HG1 THR 60 -10.072 -15.880 3.478 432 1HG2 THR 60 1HG2 THR 60 -12.742 -13.808 3.822 433 2HG2 THR 60 2HG2 THR 60 -11.587 -14.165 2.525 434 3HG2 THR 60 3HG2 THR 60 -12.319 -15.488 3.460 435 H LYS 61 H LYS 61 -8.059 -14.047 5.028 436 HA LYS 61 HA LYS 61 -7.498 -12.739 7.664 437 1HB LYS 61 1HB LYS 61 -6.283 -15.229 6.399 438 2HB LYS 61 2HB LYS 61 -5.864 -14.554 7.983 439 1HG LYS 61 1HG LYS 61 -8.600 -15.644 7.143 440 2HG LYS 61 2HG LYS 61 -7.371 -16.518 8.057 441 1HD LYS 61 1HD LYS 61 -7.503 -14.797 9.865 442 2HD LYS 61 2HD LYS 61 -8.826 -13.998 8.982 443 1HE LYS 61 1HE LYS 61 -10.196 -16.051 9.112 444 2HE LYS 61 2HE LYS 61 -8.882 -16.906 9.935 445 1HZ LYS 61 1HZ LYS 61 -10.316 -14.564 11.003 446 2HZ LYS 61 2HZ LYS 61 -10.533 -16.126 11.466 447 3HZ LYS 61 3HZ LYS 61 -9.103 -15.378 11.766 448 H CYS 62 H CYS 62 -5.008 -14.012 5.545 449 HA CYS 62 HA CYS 62 -3.887 -11.296 5.232 450 1HB CYS 62 1HB CYS 62 -2.256 -13.659 6.174 451 2HB CYS 62 2HB CYS 62 -1.824 -11.938 6.214 452 H GLY 63 H GLY 63 -1.291 -12.526 4.319 453 1HA GLY 63 1HA GLY 63 -0.371 -13.695 2.586 454 2HA GLY 63 2HA GLY 63 -1.965 -14.320 2.148 455 H GLY 64 H GLY 64 -3.220 -11.753 1.812 456 1HA GLY 64 1HA GLY 64 -3.057 -11.182 -0.819 457 2HA GLY 64 2HA GLY 64 -3.463 -9.957 0.395 458 H CYS 65 H CYS 65 -0.835 -9.838 1.598 459 HA CYS 65 HA CYS 65 0.554 -8.188 -0.494 460 1HB CYS 65 1HB CYS 65 0.018 -7.383 2.350 461 2HB CYS 65 2HB CYS 65 0.595 -6.358 1.028 462 H HIS 66 H HIS 66 0.843 -9.391 2.883 463 HA HIS 66 HA HIS 66 3.754 -9.643 2.866 464 1HB HIS 66 1HB HIS 66 1.613 -11.152 4.427 465 2HB HIS 66 2HB HIS 66 3.326 -11.156 4.775 466 HD1 HIS 66 HND HIS 66 4.324 -8.619 5.666 467 HD2 HIS 66 HD HIS 66 0.135 -9.222 5.487 468 HE1 HIS 66 HE HIS 66 3.223 -6.814 7.027 469 H ILE 67 H ILE 67 4.892 -11.280 1.794 470 HA ILE 67 HA ILE 67 3.391 -13.590 0.707 471 HB ILE 67 HB ILE 67 6.374 -12.991 0.618 472 1HG1 ILE 67 1HG1 ILE 67 5.651 -12.599 -1.904 473 2HG1 ILE 67 2HG1 ILE 67 4.067 -12.232 -1.227 474 1HG2 ILE 67 1HG2 ILE 67 6.360 -14.617 -1.215 475 2HG2 ILE 67 2HG2 ILE 67 5.727 -15.400 0.232 476 3HG2 ILE 67 3HG2 ILE 67 4.609 -14.850 -1.032 477 1HD1 ILE 67 1HD1 ILE 67 6.685 -10.839 -0.484 478 2HD1 ILE 67 2HD1 ILE 67 5.544 -10.263 -1.711 479 3HD1 ILE 67 3HD1 ILE 67 5.047 -10.310 -0.024 480 H LYS 68 H LYS 68 2.691 -13.632 3.193 481 HA LYS 68 HA LYS 68 3.519 -15.900 4.505 482 1HB LYS 68 1HB LYS 68 5.389 -13.683 4.972 483 2HB LYS 68 2HB LYS 68 4.445 -13.925 6.400 484 1HG LYS 68 1HG LYS 68 6.062 -15.315 6.944 485 2HG LYS 68 2HG LYS 68 5.028 -16.485 6.141 486 1HD LYS 68 1HD LYS 68 6.421 -16.493 4.179 487 2HD LYS 68 2HD LYS 68 7.187 -14.961 4.627 488 1HE LYS 68 1HE LYS 68 8.210 -16.084 6.639 489 2HE LYS 68 2HE LYS 68 7.604 -17.634 6.024 490 1HZ LYS 68 1HZ LYS 68 8.928 -17.232 4.032 491 2HZ LYS 68 2HZ LYS 68 9.472 -15.808 4.650 492 3HZ LYS 68 3HZ LYS 68 9.876 -17.224 5.380 493 HHA HEC 69 HCM HEC 69 8.486 6.960 -1.866 494 HHB HEC 69 HDM HEC 69 6.901 10.830 -6.648 495 HHC HEC 69 HAM HEC 69 1.601 7.290 -7.515 496 HHD HEC 69 HBM HEC 69 2.520 4.869 -1.691 497 1HMA HEC 69 HM81 HEC 69 10.166 11.049 -4.743 498 2HMA HEC 69 HM82 HEC 69 9.516 10.648 -6.343 499 3HMA HEC 69 HM83 HEC 69 8.677 11.825 -5.300 500 1HAA HEC 69 HP71 HEC 69 10.324 9.918 -2.660 501 2HAA HEC 69 HP72 HEC 69 10.134 8.233 -2.190 502 1HBA HEC 69 HP73 HEC 69 11.226 7.458 -4.191 503 2HBA HEC 69 HP74 HEC 69 11.468 9.126 -4.735 504 1HMB HEC 69 HM11 HEC 69 5.186 10.575 -9.867 505 2HMB HEC 69 HM12 HEC 69 4.571 11.852 -8.785 506 3HMB HEC 69 HM13 HEC 69 6.229 11.245 -8.631 507 HAB HEC 69 HT2A HEC 69 1.553 8.911 -8.880 508 1HBB HEC 69 HT21 HEC 69 1.594 10.142 -10.834 509 2HBB HEC 69 HT22 HEC 69 3.019 11.067 -10.377 510 3HBB HEC 69 HT23 HEC 69 3.166 9.338 -10.799 511 1HMC HEC 69 HM31 HEC 69 0.061 5.042 -6.967 512 2HMC HEC 69 HM32 HEC 69 -1.017 5.356 -5.602 513 3HMC HEC 69 HM33 HEC 69 -0.449 6.708 -6.573 514 HAC HEC 69 HT4A HEC 69 0.582 4.434 -2.187 515 1HBC HEC 69 HT41 HEC 69 -0.798 3.340 -4.618 516 2HBC HEC 69 HT42 HEC 69 0.714 2.665 -3.979 517 3HBC HEC 69 HT43 HEC 69 -0.756 2.686 -2.985 518 1HMD HEC 69 HM51 HEC 69 4.889 4.257 1.052 519 2HMD HEC 69 HM52 HEC 69 3.389 4.915 0.454 520 3HMD HEC 69 HM53 HEC 69 4.061 3.479 -0.317 521 1HAD HEC 69 HP61 HEC 69 8.257 4.796 -0.780 522 2HAD HEC 69 HP62 HEC 69 8.017 6.191 0.261 523 1HBD HEC 69 HP63 HEC 69 6.791 4.855 1.858 524 2HBD HEC 69 HP64 HEC 69 6.890 3.454 0.743 525 HHA HEC 70 HCM HEC 70 -3.726 -4.810 -7.175 526 HHB HEC 70 HDM HEC 70 0.081 -4.510 -2.013 527 HHC HEC 70 HAM HEC 70 -2.194 1.340 -0.769 528 HHD HEC 70 HBM HEC 70 -6.554 0.619 -5.338 529 1HMA HEC 70 HM81 HEC 70 -0.331 -6.827 -2.695 530 2HMA HEC 70 HM82 HEC 70 -0.308 -7.575 -4.289 531 3HMA HEC 70 HM83 HEC 70 0.887 -6.319 -3.893 532 1HAA HEC 70 HP71 HEC 70 -2.149 -6.393 -7.365 533 2HAA HEC 70 HP72 HEC 70 -1.008 -7.297 -6.403 534 1HBA HEC 70 HP73 HEC 70 -2.837 -8.154 -4.982 535 2HBA HEC 70 HP74 HEC 70 -4.005 -7.206 -5.914 536 1HMB HEC 70 HM11 HEC 70 1.375 -2.313 0.698 537 2HMB HEC 70 HM12 HEC 70 0.310 -3.722 0.559 538 3HMB HEC 70 HM13 HEC 70 1.552 -3.414 -0.668 539 HAB HEC 70 HT2A HEC 70 -0.791 0.929 0.664 540 1HBB HEC 70 HT21 HEC 70 1.583 1.096 1.301 541 2HBB HEC 70 HT22 HEC 70 1.952 -0.251 0.214 542 3HBB HEC 70 HT23 HEC 70 1.283 1.237 -0.435 543 1HMC HEC 70 HM31 HEC 70 -2.957 3.408 -1.382 544 2HMC HEC 70 HM32 HEC 70 -4.451 4.099 -1.995 545 3HMC HEC 70 HM33 HEC 70 -4.500 3.081 -0.556 546 HAC HEC 70 HT4A HEC 70 -7.326 1.998 -3.861 547 1HBC HEC 70 HT41 HEC 70 -5.613 4.491 -3.841 548 2HBC HEC 70 HT42 HEC 70 -6.351 3.634 -5.220 549 3HBC HEC 70 HT43 HEC 70 -7.374 4.475 -4.053 550 1HMD HEC 70 HM51 HEC 70 -7.709 -1.471 -8.238 551 2HMD HEC 70 HM52 HEC 70 -8.034 -0.634 -6.707 552 3HMD HEC 70 HM53 HEC 70 -6.910 0.069 -7.890 553 1HAD HEC 70 HP61 HEC 70 -5.369 -4.416 -8.575 554 2HAD HEC 70 HP62 HEC 70 -6.899 -3.574 -8.562 555 1HBD HEC 70 HP63 HEC 70 -5.680 -1.596 -9.667 556 2HBD HEC 70 HP64 HEC 70 -4.303 -2.684 -9.858 557 HHA HEC 71 HCM HEC 71 3.529 -4.004 8.580 558 HHB HEC 71 HDM HEC 71 0.425 -9.016 11.085 559 HHC HEC 71 HAM HEC 71 -3.192 -9.387 5.825 560 HHD HEC 71 HBM HEC 71 -0.119 -4.434 3.359 561 1HMA HEC 71 HM81 HEC 71 2.817 -8.664 12.154 562 2HMA HEC 71 HM82 HEC 71 3.151 -7.072 12.861 563 3HMA HEC 71 HM83 HEC 71 1.494 -7.686 12.840 564 1HAA HEC 71 HP71 HEC 71 4.790 -4.878 10.158 565 2HAA HEC 71 HP72 HEC 71 4.347 -5.260 11.823 566 1HBA HEC 71 HP73 HEC 71 4.920 -7.645 11.402 567 2HBA HEC 71 HP74 HEC 71 5.287 -7.240 9.728 568 1HMB HEC 71 HM11 HEC 71 -0.446 -11.167 10.841 569 2HMB HEC 71 HM12 HEC 71 -1.913 -10.401 11.491 570 3HMB HEC 71 HM13 HEC 71 -2.030 -11.792 10.396 571 HAB HEC 71 HT2A HEC 71 -4.150 -10.558 7.335 572 1HBB HEC 71 HT21 HEC 71 -4.863 -9.596 9.481 573 2HBB HEC 71 HT22 HEC 71 -5.512 -11.208 9.154 574 3HBB HEC 71 HT23 HEC 71 -4.197 -11.011 10.320 575 1HMC HEC 71 HM31 HEC 71 -4.552 -8.318 3.847 576 2HMC HEC 71 HM32 HEC 71 -3.649 -8.184 2.324 577 3HMC HEC 71 HM33 HEC 71 -3.220 -9.440 3.483 578 HAC HEC 71 HT4A HEC 71 -1.670 -4.808 2.067 579 1HBC HEC 71 HT41 HEC 71 -4.420 -6.055 2.097 580 2HBC HEC 71 HT42 HEC 71 -3.939 -4.422 2.615 581 3HBC HEC 71 HT43 HEC 71 -3.793 -4.887 0.921 582 1HMD HEC 71 HM51 HEC 71 1.520 -1.609 4.092 583 2HMD HEC 71 HM52 HEC 71 2.935 -2.503 3.533 584 3HMD HEC 71 HM53 HEC 71 1.332 -2.946 2.949 585 1HAD HEC 71 HP61 HEC 71 3.313 -1.459 5.712 586 2HAD HEC 71 HP62 HEC 71 3.464 -2.008 7.371 587 1HBD HEC 71 HP63 HEC 71 5.000 -3.457 5.272 588 2HBD HEC 71 HP64 HEC 71 5.445 -1.768 5.530 Start of MODEL 17 1 1H ALA 1 1H ALA 1 7.273 5.430 -7.147 2 2H ALA 1 2H ALA 1 7.730 6.853 -7.852 3 3H ALA 1 3H ALA 1 6.811 5.732 -8.679 4 HA ALA 1 HA ALA 1 9.156 5.825 -9.372 5 1HB ALA 1 1HB ALA 1 10.073 5.849 -7.027 6 2HB ALA 1 2HB ALA 1 9.447 4.201 -6.800 7 3HB ALA 1 3HB ALA 1 10.709 4.519 -8.005 8 H ASP 2 H ASP 2 10.086 3.281 -9.641 9 HA ASP 2 HA ASP 2 7.822 1.841 -10.733 10 1HB ASP 2 1HB ASP 2 10.777 1.950 -11.523 11 2HB ASP 2 2HB ASP 2 9.488 1.178 -12.447 12 H VAL 3 H VAL 3 7.683 1.046 -8.524 13 HA VAL 3 HA VAL 3 7.278 -0.808 -7.405 14 HB VAL 3 HB VAL 3 8.835 -2.395 -9.476 15 1HG1 VAL 3 1HG1 VAL 3 8.484 -3.643 -7.364 16 2HG1 VAL 3 2HG1 VAL 3 6.745 -3.283 -7.447 17 3HG1 VAL 3 3HG1 VAL 3 7.506 -4.291 -8.686 18 1HG2 VAL 3 1HG2 VAL 3 6.969 -1.176 -10.549 19 2HG2 VAL 3 2HG2 VAL 3 6.554 -2.883 -10.388 20 3HG2 VAL 3 3HG2 VAL 3 5.863 -1.702 -9.260 21 H VAL 4 H VAL 4 8.149 -1.703 -5.513 22 HA VAL 4 HA VAL 4 10.968 -2.082 -5.189 23 HB VAL 4 HB VAL 4 10.765 0.439 -5.045 24 1HG1 VAL 4 1HG1 VAL 4 9.119 -0.153 -2.535 25 2HG1 VAL 4 2HG1 VAL 4 9.780 1.427 -2.994 26 3HG1 VAL 4 3HG1 VAL 4 8.561 0.669 -4.022 27 1HG2 VAL 4 1HG2 VAL 4 12.517 -0.956 -3.756 28 2HG2 VAL 4 2HG2 VAL 4 12.243 0.729 -3.277 29 3HG2 VAL 4 3HG2 VAL 4 11.555 -0.570 -2.306 30 H THR 5 H THR 5 11.210 -2.438 -2.547 31 HA THR 5 HA THR 5 8.679 -2.926 -1.270 32 HB THR 5 HB THR 5 9.149 -5.171 -2.359 33 HG1 THR 5 HG1 THR 5 8.609 -4.920 -0.083 34 1HG2 THR 5 1HG2 THR 5 11.559 -4.998 -2.815 35 2HG2 THR 5 2HG2 THR 5 11.902 -5.087 -1.070 36 3HG2 THR 5 3HG2 THR 5 11.179 -6.469 -1.908 37 H TYR 6 H TYR 6 8.746 -3.131 0.838 38 HA TYR 6 HA TYR 6 11.275 -2.249 2.161 39 1HB TYR 6 1HB TYR 6 8.386 -1.707 2.849 40 2HB TYR 6 2HB TYR 6 9.721 -1.535 3.980 41 HD1 TYR 6 HD1 TYR 6 9.668 0.799 4.399 42 HD2 TYR 6 HD2 TYR 6 9.518 -0.494 0.295 43 HE1 TYR 6 HE1 TYR 6 10.054 3.098 3.611 44 HE2 TYR 6 HE2 TYR 6 9.869 1.716 -0.459 45 HH TYR 6 HH TYR 6 10.690 3.897 0.166 46 H GLU 7 H GLU 7 12.219 -4.125 2.703 47 HA GLU 7 HA GLU 7 10.921 -6.476 3.516 48 1HB GLU 7 1HB GLU 7 13.083 -7.133 4.512 49 2HB GLU 7 2HB GLU 7 13.185 -6.627 2.824 50 1HG GLU 7 1HG GLU 7 14.198 -4.510 3.428 51 2HG GLU 7 2HG GLU 7 13.866 -4.770 5.147 52 H ASN 8 H ASN 8 10.142 -7.248 5.418 53 HA ASN 8 HA ASN 8 10.447 -6.042 7.975 54 1HB ASN 8 1HB ASN 8 7.570 -6.173 7.147 55 2HB ASN 8 2HB ASN 8 8.318 -5.206 8.412 56 1HD2 ASN 8 1HD2 ASN 8 6.646 -4.857 5.722 57 2HD2 ASN 8 2HD2 ASN 8 7.540 -3.697 4.731 58 H LYS 9 H LYS 9 8.728 -7.501 9.445 59 HA LYS 9 HA LYS 9 10.259 -9.876 8.937 60 1HB LYS 9 1HB LYS 9 9.510 -8.469 11.174 61 2HB LYS 9 2HB LYS 9 8.353 -9.777 11.239 62 1HG LYS 9 1HG LYS 9 10.199 -10.509 12.537 63 2HG LYS 9 2HG LYS 9 10.312 -11.396 11.016 64 1HD LYS 9 1HD LYS 9 12.523 -10.696 11.514 65 2HD LYS 9 2HD LYS 9 11.985 -9.608 10.233 66 1HE LYS 9 1HE LYS 9 11.367 -7.931 12.129 67 2HE LYS 9 2HE LYS 9 12.212 -9.028 13.225 68 1HZ LYS 9 1HZ LYS 9 14.193 -8.682 11.864 69 2HZ LYS 9 2HZ LYS 9 13.363 -7.653 10.881 70 3HZ LYS 9 3HZ LYS 9 13.613 -7.261 12.454 71 H LYS 10 H LYS 10 7.043 -9.196 8.102 72 HA LYS 10 HA LYS 10 5.934 -11.870 8.596 73 1HB LYS 10 1HB LYS 10 4.907 -9.697 6.738 74 2HB LYS 10 2HB LYS 10 3.985 -11.063 7.368 75 1HG LYS 10 1HG LYS 10 5.216 -8.809 8.963 76 2HG LYS 10 2HG LYS 10 3.543 -8.864 8.429 77 1HD LYS 10 1HD LYS 10 3.213 -9.647 10.558 78 2HD LYS 10 2HD LYS 10 3.397 -11.143 9.679 79 1HE LYS 10 1HE LYS 10 4.772 -11.689 11.380 80 2HE LYS 10 2HE LYS 10 6.005 -10.774 10.510 81 1HZ LYS 10 1HZ LYS 10 5.914 -10.179 12.803 82 2HZ LYS 10 2HZ LYS 10 5.549 -8.887 11.938 83 3HZ LYS 10 3HZ LYS 10 4.348 -9.704 12.696 84 H GLY 11 H GLY 11 6.855 -10.018 5.751 85 1HA GLY 11 1HA GLY 11 8.279 -11.971 4.329 86 2HA GLY 11 2HA GLY 11 6.581 -12.093 3.805 87 H ASN 12 H ASN 12 8.513 -9.258 4.891 88 HA ASN 12 HA ASN 12 8.843 -7.211 3.954 89 1HB ASN 12 1HB ASN 12 8.532 -8.481 1.210 90 2HB ASN 12 2HB ASN 12 9.385 -7.006 1.636 91 1HD2 ASN 12 1HD2 ASN 12 10.427 -8.918 4.106 92 2HD2 ASN 12 2HD2 ASN 12 11.843 -9.566 3.297 93 H VAL 13 H VAL 13 7.868 -5.668 2.120 94 HA VAL 13 HA VAL 13 4.940 -6.119 1.743 95 HB VAL 13 HB VAL 13 6.408 -3.715 2.865 96 1HG1 VAL 13 1HG1 VAL 13 5.110 -2.839 0.924 97 2HG1 VAL 13 2HG1 VAL 13 3.654 -3.596 1.574 98 3HG1 VAL 13 3HG1 VAL 13 4.511 -2.292 2.455 99 1HG2 VAL 13 1HG2 VAL 13 4.599 -3.788 4.477 100 2HG2 VAL 13 2HG2 VAL 13 3.747 -5.054 3.569 101 3HG2 VAL 13 3HG2 VAL 13 5.290 -5.398 4.369 102 H THR 14 H THR 14 4.829 -6.413 -0.461 103 HA THR 14 HA THR 14 6.818 -5.123 -2.189 104 HB THR 14 HB THR 14 5.921 -7.393 -2.620 105 HG1 THR 14 HG1 THR 14 5.652 -6.841 -4.927 106 1HG2 THR 14 1HG2 THR 14 3.808 -7.684 -3.772 107 2HG2 THR 14 2HG2 THR 14 3.478 -6.903 -2.217 108 3HG2 THR 14 3HG2 THR 14 3.476 -5.949 -3.722 109 H PHE 15 H PHE 15 6.673 -3.139 -3.109 110 HA PHE 15 HA PHE 15 4.149 -1.568 -2.922 111 1HB PHE 15 1HB PHE 15 7.018 -0.873 -3.601 112 2HB PHE 15 2HB PHE 15 5.670 0.224 -3.831 113 HD1 PHE 15 HD1 PHE 15 6.168 -1.989 -0.831 114 HD2 PHE 15 HD2 PHE 15 6.503 1.975 -2.514 115 HE1 PHE 15 HE1 PHE 15 6.662 -1.092 1.394 116 HE2 PHE 15 HE2 PHE 15 7.289 2.787 -0.324 117 HZ PHE 15 HZ PHE 15 7.348 1.241 1.614 118 H ASP 16 H ASP 16 2.937 -2.380 -4.652 119 HA ASP 16 HA ASP 16 3.857 -2.393 -7.397 120 1HB ASP 16 1HB ASP 16 1.210 -2.329 -5.919 121 2HB ASP 16 2HB ASP 16 1.258 -2.056 -7.656 122 H HIS 17 H HIS 17 5.203 -0.337 -6.836 123 HA HIS 17 HA HIS 17 3.904 2.090 -6.305 124 1HB HIS 17 1HB HIS 17 6.534 1.278 -6.361 125 2HB HIS 17 2HB HIS 17 6.504 2.256 -7.775 126 HD1 HIS 17 HND HIS 17 8.038 2.985 -5.012 127 HD2 HIS 17 HD HIS 17 4.367 4.494 -6.409 128 HE1 HIS 17 HE HIS 17 7.648 5.205 -3.826 129 H LYS 18 H LYS 18 5.626 1.471 -9.405 130 HA LYS 18 HA LYS 18 4.319 3.473 -10.885 131 1HB LYS 18 1HB LYS 18 6.291 2.743 -11.773 132 2HB LYS 18 2HB LYS 18 5.892 0.997 -11.629 133 1HG LYS 18 1HG LYS 18 4.318 1.225 -13.465 134 2HG LYS 18 2HG LYS 18 4.580 2.992 -13.455 135 1HD LYS 18 1HD LYS 18 6.880 2.722 -14.109 136 2HD LYS 18 2HD LYS 18 6.799 0.964 -13.994 137 1HE LYS 18 1HE LYS 18 5.348 2.775 -15.998 138 2HE LYS 18 2HE LYS 18 6.740 1.733 -16.333 139 1HZ LYS 18 1HZ LYS 18 4.008 0.854 -15.619 140 2HZ LYS 18 2HZ LYS 18 4.732 0.682 -17.053 141 3HZ LYS 18 3HZ LYS 18 5.287 -0.170 -15.757 142 H ALA 19 H ALA 19 3.739 -0.004 -10.696 143 HA ALA 19 HA ALA 19 1.469 -0.509 -12.133 144 1HB ALA 19 1HB ALA 19 2.514 -2.208 -10.829 145 2HB ALA 19 2HB ALA 19 2.256 -1.266 -9.352 146 3HB ALA 19 3HB ALA 19 0.865 -2.028 -10.169 147 H HIS 20 H HIS 20 1.217 0.686 -8.653 148 HA HIS 20 HA HIS 20 -1.602 1.213 -9.014 149 1HB HIS 20 1HB HIS 20 0.378 2.013 -6.861 150 2HB HIS 20 2HB HIS 20 -1.304 2.518 -6.869 151 HD1 HIS 20 HND HIS 20 -0.440 -1.023 -7.934 152 HD2 HIS 20 HD HIS 20 -2.057 1.090 -4.695 153 HE1 HIS 20 HE HIS 20 -1.463 -2.757 -6.346 154 H ALA 21 H ALA 21 1.352 3.079 -9.601 155 HA ALA 21 HA ALA 21 0.013 5.613 -9.799 156 1HB ALA 21 1HB ALA 21 2.517 4.848 -11.317 157 2HB ALA 21 2HB ALA 21 1.967 6.455 -10.837 158 3HB ALA 21 3HB ALA 21 2.487 5.290 -9.596 159 H GLU 22 H GLU 22 0.497 3.020 -12.168 160 HA GLU 22 HA GLU 22 -0.604 4.644 -14.376 161 1HB GLU 22 1HB GLU 22 -0.163 2.756 -15.814 162 2HB GLU 22 2HB GLU 22 1.270 3.183 -14.869 163 1HG GLU 22 1HG GLU 22 0.813 1.309 -13.335 164 2HG GLU 22 2HG GLU 22 -0.622 0.875 -14.281 165 H LYS 23 H LYS 23 -1.579 1.829 -12.393 166 HA LYS 23 HA LYS 23 -4.124 1.504 -13.697 167 1HB LYS 23 1HB LYS 23 -3.151 0.581 -10.964 168 2HB LYS 23 2HB LYS 23 -4.596 -0.001 -11.788 169 1HG LYS 23 1HG LYS 23 -1.730 -0.376 -12.807 170 2HG LYS 23 2HG LYS 23 -2.700 -1.561 -11.945 171 1HD LYS 23 1HD LYS 23 -4.367 -1.499 -13.742 172 2HD LYS 23 2HD LYS 23 -3.401 -0.357 -14.676 173 1HE LYS 23 1HE LYS 23 -2.189 -3.009 -13.776 174 2HE LYS 23 2HE LYS 23 -3.263 -2.946 -15.175 175 1HZ LYS 23 1HZ LYS 23 -0.988 -2.740 -15.846 176 2HZ LYS 23 2HZ LYS 23 -1.784 -1.364 -16.211 177 3HZ LYS 23 3HZ LYS 23 -0.713 -1.399 -15.000 178 H LEU 24 H LEU 24 -3.071 3.306 -10.769 179 HA LEU 24 HA LEU 24 -5.869 4.251 -10.392 180 1HB LEU 24 1HB LEU 24 -3.631 4.792 -8.457 181 2HB LEU 24 2HB LEU 24 -5.370 4.774 -8.213 182 HG LEU 24 HG LEU 24 -3.649 2.294 -8.719 183 1HD1 LEU 24 1HD1 LEU 24 -4.918 3.324 -6.174 184 2HD1 LEU 24 2HD1 LEU 24 -3.937 1.858 -6.343 185 3HD1 LEU 24 3HD1 LEU 24 -3.210 3.470 -6.548 186 1HD2 LEU 24 1HD2 LEU 24 -5.625 1.058 -7.964 187 2HD2 LEU 24 2HD2 LEU 24 -6.559 2.571 -7.884 188 3HD2 LEU 24 3HD2 LEU 24 -5.976 1.958 -9.452 189 H GLY 25 H GLY 25 -2.513 5.700 -10.138 190 1HA GLY 25 1HA GLY 25 -2.596 7.678 -11.958 191 2HA GLY 25 2HA GLY 25 -3.654 8.347 -10.710 192 H CYS 26 H CYS 26 -2.847 8.619 -8.583 193 HA CYS 26 HA CYS 26 -0.175 8.267 -7.689 194 1HB CYS 26 1HB CYS 26 0.066 10.114 -9.681 195 2HB CYS 26 2HB CYS 26 -0.506 11.178 -8.423 196 H ASP 27 H ASP 27 -2.762 10.448 -7.942 197 HA ASP 27 HA ASP 27 -3.275 11.842 -5.603 198 1HB ASP 27 1HB ASP 27 -5.609 11.606 -6.428 199 2HB ASP 27 2HB ASP 27 -4.498 12.070 -7.718 200 H ALA 28 H ALA 28 -4.037 8.583 -6.580 201 HA ALA 28 HA ALA 28 -5.529 7.430 -4.678 202 1HB ALA 28 1HB ALA 28 -4.619 6.266 -6.604 203 2HB ALA 28 2HB ALA 28 -2.977 6.324 -5.928 204 3HB ALA 28 3HB ALA 28 -4.222 5.337 -5.138 205 H CYS 29 H CYS 29 -2.085 8.171 -4.292 206 HA CYS 29 HA CYS 29 -2.232 7.428 -1.378 207 1HB CYS 29 1HB CYS 29 0.121 7.064 -3.221 208 2HB CYS 29 2HB CYS 29 -0.038 6.541 -1.530 209 H HIS 30 H HIS 30 -0.795 9.589 -3.861 210 HA HIS 30 HA HIS 30 0.450 11.245 -1.678 211 1HB HIS 30 1HB HIS 30 1.231 10.833 -4.561 212 2HB HIS 30 2HB HIS 30 1.966 11.978 -3.477 213 HD1 HIS 30 HND HIS 30 3.484 10.647 -1.308 214 HD2 HIS 30 HD HIS 30 2.385 8.636 -4.838 215 HE1 HIS 30 HE HIS 30 5.082 8.698 -1.617 216 H GLU 31 H GLU 31 -0.838 13.014 -1.391 217 HA GLU 31 HA GLU 31 -2.342 14.205 -3.631 218 1HB GLU 31 1HB GLU 31 -1.996 15.107 -0.732 219 2HB GLU 31 2HB GLU 31 -3.076 15.842 -1.947 220 1HG GLU 31 1HG GLU 31 -4.250 13.688 -2.169 221 2HG GLU 31 2HG GLU 31 -3.269 13.047 -0.832 222 H GLY 32 H GLY 32 -1.256 16.667 -1.770 223 1HA GLY 32 1HA GLY 32 -0.276 18.177 -3.809 224 2HA GLY 32 2HA GLY 32 0.135 18.469 -2.114 225 H THR 33 H THR 33 1.797 16.326 -1.519 226 HA THR 33 HA THR 33 4.086 16.573 -3.391 227 HB THR 33 HB THR 33 4.252 17.041 -0.385 228 HG1 THR 33 HG1 THR 33 4.477 19.230 -0.949 229 1HG2 THR 33 1HG2 THR 33 6.231 17.612 -2.645 230 2HG2 THR 33 2HG2 THR 33 6.497 17.912 -0.916 231 3HG2 THR 33 3HG2 THR 33 6.348 16.250 -1.510 232 HA PRO 34 HA PRO 34 3.751 12.341 -2.350 233 1HB PRO 34 1HB PRO 34 5.961 11.175 -3.469 234 2HB PRO 34 2HB PRO 34 4.545 11.766 -4.381 235 1HG PRO 34 1HG PRO 34 7.132 13.207 -3.843 236 2HG PRO 34 2HG PRO 34 6.256 13.053 -5.398 237 1HD PRO 34 1HD PRO 34 6.039 15.296 -3.859 238 2HD PRO 34 2HD PRO 34 4.620 14.639 -4.728 239 H ALA 35 H ALA 35 6.967 13.588 -1.782 240 HA ALA 35 HA ALA 35 8.649 12.997 -0.314 241 1HB ALA 35 1HB ALA 35 7.642 15.187 0.070 242 2HB ALA 35 2HB ALA 35 6.517 14.477 1.252 243 3HB ALA 35 3HB ALA 35 8.266 14.507 1.573 244 H LYS 36 H LYS 36 7.163 10.557 -0.270 245 HA LYS 36 HA LYS 36 7.179 8.623 0.844 246 1HB LYS 36 1HB LYS 36 8.478 9.938 3.275 247 2HB LYS 36 2HB LYS 36 8.225 8.224 2.982 248 1HG LYS 36 1HG LYS 36 9.619 8.540 0.827 249 2HG LYS 36 2HG LYS 36 10.009 10.140 1.447 250 1HD LYS 36 1HD LYS 36 11.815 8.645 2.009 251 2HD LYS 36 2HD LYS 36 10.945 8.962 3.522 252 1HE LYS 36 1HE LYS 36 10.422 6.724 3.744 253 2HE LYS 36 2HE LYS 36 9.682 6.740 2.137 254 1HZ LYS 36 1HZ LYS 36 11.790 6.382 1.145 255 2HZ LYS 36 2HZ LYS 36 12.475 6.120 2.632 256 3HZ LYS 36 3HZ LYS 36 11.237 5.162 2.054 257 H ILE 37 H ILE 37 5.700 7.526 2.061 258 HA ILE 37 HA ILE 37 3.450 9.327 2.876 259 HB ILE 37 HB ILE 37 3.336 6.318 2.689 260 1HG1 ILE 37 1HG1 ILE 37 3.318 8.503 0.637 261 2HG1 ILE 37 2HG1 ILE 37 4.104 6.923 0.640 262 1HG2 ILE 37 1HG2 ILE 37 1.191 8.486 2.539 263 2HG2 ILE 37 2HG2 ILE 37 0.921 6.730 2.438 264 3HG2 ILE 37 3HG2 ILE 37 1.489 7.440 3.941 265 1HD1 ILE 37 1HD1 ILE 37 2.258 7.055 -1.001 266 2HD1 ILE 37 2HD1 ILE 37 1.821 5.890 0.281 267 3HD1 ILE 37 3HD1 ILE 37 1.126 7.532 0.258 268 H ALA 38 H ALA 38 5.300 6.719 4.179 269 HA ALA 38 HA ALA 38 6.131 6.386 6.298 270 1HB ALA 38 1HB ALA 38 5.430 8.588 7.004 271 2HB ALA 38 2HB ALA 38 3.842 7.920 7.497 272 3HB ALA 38 3HB ALA 38 5.335 7.332 8.272 273 H ILE 39 H ILE 39 5.137 4.662 4.754 274 HA ILE 39 HA ILE 39 2.911 3.128 5.874 275 HB ILE 39 HB ILE 39 5.095 2.476 3.893 276 1HG1 ILE 39 1HG1 ILE 39 3.561 4.196 3.146 277 2HG1 ILE 39 2HG1 ILE 39 3.283 2.658 2.360 278 1HG2 ILE 39 1HG2 ILE 39 2.692 0.824 4.718 279 2HG2 ILE 39 2HG2 ILE 39 3.594 0.576 3.213 280 3HG2 ILE 39 3HG2 ILE 39 4.402 0.343 4.760 281 1HD1 ILE 39 1HD1 ILE 39 1.164 3.738 2.751 282 2HD1 ILE 39 2HD1 ILE 39 1.247 2.292 3.766 283 3HD1 ILE 39 3HD1 ILE 39 1.485 3.912 4.470 284 H ASP 40 H ASP 40 3.365 3.297 7.877 285 HA ASP 40 HA ASP 40 5.260 1.343 9.142 286 1HB ASP 40 1HB ASP 40 5.145 3.421 10.359 287 2HB ASP 40 2HB ASP 40 3.362 3.391 10.377 288 H LYS 41 H LYS 41 4.208 -0.039 10.681 289 HA LYS 41 HA LYS 41 2.154 -1.746 9.682 290 1HB LYS 41 1HB LYS 41 2.021 -2.550 12.044 291 2HB LYS 41 2HB LYS 41 3.550 -2.641 11.184 292 1HG LYS 41 1HG LYS 41 4.258 -2.242 13.255 293 2HG LYS 41 2HG LYS 41 4.370 -0.670 12.532 294 1HD LYS 41 1HD LYS 41 2.044 -0.223 13.656 295 2HD LYS 41 2HD LYS 41 2.348 -1.724 14.541 296 1HE LYS 41 1HE LYS 41 4.467 -0.770 15.421 297 2HE LYS 41 2HE LYS 41 4.275 0.664 14.399 298 1HZ LYS 41 1HZ LYS 41 3.608 1.115 16.613 299 2HZ LYS 41 2HZ LYS 41 2.325 1.238 15.591 300 3HZ LYS 41 3HZ LYS 41 2.467 -0.076 16.588 301 H LYS 42 H LYS 42 1.975 0.954 11.962 302 HA LYS 42 HA LYS 42 -0.786 0.909 12.447 303 1HB LYS 42 1HB LYS 42 0.957 2.249 13.646 304 2HB LYS 42 2HB LYS 42 1.108 3.308 12.234 305 1HG LYS 42 1HG LYS 42 -1.337 3.794 12.432 306 2HG LYS 42 2HG LYS 42 -1.354 2.796 13.909 307 1HD LYS 42 1HD LYS 42 0.337 4.331 14.931 308 2HD LYS 42 2HD LYS 42 0.355 5.293 13.437 309 1HE LYS 42 1HE LYS 42 -2.074 5.811 13.756 310 2HE LYS 42 2HE LYS 42 -2.069 4.885 15.266 311 1HZ LYS 42 1HZ LYS 42 -0.465 6.456 16.140 312 2HZ LYS 42 2HZ LYS 42 -0.477 7.312 14.734 313 3HZ LYS 42 3HZ LYS 42 -1.832 7.230 15.661 314 H SER 43 H SER 43 0.848 3.262 10.192 315 HA SER 43 HA SER 43 -1.362 4.236 8.986 316 1HB SER 43 1HB SER 43 1.213 3.657 7.477 317 2HB SER 43 2HB SER 43 0.137 5.052 7.326 318 HG SER 43 HG SER 43 2.127 5.311 8.613 319 H ALA 44 H ALA 44 0.616 1.569 7.691 320 HA ALA 44 HA ALA 44 -0.753 0.770 5.430 321 1HB ALA 44 1HB ALA 44 0.630 -0.941 7.545 322 2HB ALA 44 2HB ALA 44 0.263 -1.389 5.869 323 3HB ALA 44 3HB ALA 44 1.430 -0.072 6.233 324 H HIS 45 H HIS 45 -1.238 -0.523 8.768 325 HA HIS 45 HA HIS 45 -3.467 -2.107 7.759 326 1HB HIS 45 1HB HIS 45 -2.041 -2.020 10.381 327 2HB HIS 45 2HB HIS 45 -3.640 -2.706 10.252 328 HD1 HIS 45 HND HIS 45 -3.299 -5.179 10.364 329 HD2 HIS 45 HD HIS 45 -0.622 -3.276 7.734 330 HE1 HIS 45 HE HIS 45 -2.009 -6.999 9.206 331 H LYS 46 H LYS 46 -3.171 1.092 8.920 332 HA LYS 46 HA LYS 46 -5.890 1.176 10.077 333 1HB LYS 46 1HB LYS 46 -3.987 2.040 11.288 334 2HB LYS 46 2HB LYS 46 -3.580 3.163 9.992 335 1HG LYS 46 1HG LYS 46 -6.204 3.274 11.537 336 2HG LYS 46 2HG LYS 46 -4.698 4.034 12.084 337 1HD LYS 46 1HD LYS 46 -4.621 5.162 9.743 338 2HD LYS 46 2HD LYS 46 -6.331 4.680 9.651 339 1HE LYS 46 1HE LYS 46 -6.786 5.958 11.739 340 2HE LYS 46 2HE LYS 46 -5.079 6.451 11.808 341 1HZ LYS 46 1HZ LYS 46 -6.481 8.144 10.787 342 2HZ LYS 46 2HZ LYS 46 -5.417 7.554 9.668 343 3HZ LYS 46 3HZ LYS 46 -6.967 7.072 9.640 344 H ASP 47 H ASP 47 -4.039 3.297 7.828 345 HA ASP 47 HA ASP 47 -6.349 3.584 6.044 346 1HB ASP 47 1HB ASP 47 -5.329 5.946 7.650 347 2HB ASP 47 2HB ASP 47 -6.025 6.117 6.047 348 H ALA 48 H ALA 48 -4.640 2.215 5.071 349 HA ALA 48 HA ALA 48 -3.619 3.920 3.038 350 1HB ALA 48 1HB ALA 48 -1.202 3.063 3.141 351 2HB ALA 48 2HB ALA 48 -1.649 4.322 4.294 352 3HB ALA 48 3HB ALA 48 -1.529 2.657 4.846 353 H CYS 49 H CYS 49 -2.013 0.881 3.721 354 HA CYS 49 HA CYS 49 -2.938 -0.046 1.151 355 1HB CYS 49 1HB CYS 49 -1.526 -1.726 3.173 356 2HB CYS 49 2HB CYS 49 -1.531 -1.911 1.425 357 H LYS 50 H LYS 50 -3.457 -1.347 4.514 358 HA LYS 50 HA LYS 50 -5.430 -3.252 3.420 359 1HB LYS 50 1HB LYS 50 -3.635 -3.688 5.232 360 2HB LYS 50 2HB LYS 50 -4.708 -2.764 6.275 361 1HG LYS 50 1HG LYS 50 -6.541 -4.556 5.455 362 2HG LYS 50 2HG LYS 50 -5.101 -5.447 4.957 363 1HD LYS 50 1HD LYS 50 -5.301 -6.267 7.096 364 2HD LYS 50 2HD LYS 50 -4.244 -4.900 7.408 365 1HE LYS 50 1HE LYS 50 -7.259 -5.143 7.851 366 2HE LYS 50 2HE LYS 50 -6.017 -4.935 9.090 367 1HZ LYS 50 1HZ LYS 50 -5.715 -2.662 8.362 368 2HZ LYS 50 2HZ LYS 50 -6.712 -2.854 7.081 369 3HZ LYS 50 3HZ LYS 50 -7.276 -2.907 8.622 370 H THR 51 H THR 51 -6.287 -0.861 2.826 371 HA THR 51 HA THR 51 -8.676 -0.274 4.471 372 HB THR 51 HB THR 51 -6.850 1.898 3.360 373 HG1 THR 51 HG1 THR 51 -6.852 1.429 6.093 374 1HG2 THR 51 1HG2 THR 51 -8.941 2.029 5.570 375 2HG2 THR 51 2HG2 THR 51 -8.131 3.376 4.747 376 3HG2 THR 51 3HG2 THR 51 -9.287 2.386 3.865 377 H CYS 52 H CYS 52 -6.780 0.664 1.512 378 HA CYS 52 HA CYS 52 -9.038 1.121 -0.140 379 1HB CYS 52 1HB CYS 52 -6.126 0.690 -0.504 380 2HB CYS 52 2HB CYS 52 -7.139 0.153 -1.845 381 H HIS 53 H HIS 53 -6.943 -1.819 -0.026 382 HA HIS 53 HA HIS 53 -8.523 -3.170 -1.883 383 1HB HIS 53 1HB HIS 53 -7.000 -4.759 0.161 384 2HB HIS 53 2HB HIS 53 -7.305 -5.109 -1.534 385 HD1 HIS 53 HND HIS 53 -5.149 -2.803 0.689 386 HD2 HIS 53 HD HIS 53 -5.617 -3.796 -3.376 387 HE1 HIS 53 HE HIS 53 -3.249 -1.801 -0.538 388 H LYS 54 H LYS 54 -8.973 -2.846 1.582 389 HA LYS 54 HA LYS 54 -11.017 -4.775 2.071 390 1HB LYS 54 1HB LYS 54 -10.667 -2.044 3.258 391 2HB LYS 54 2HB LYS 54 -11.884 -3.231 3.694 392 1HG LYS 54 1HG LYS 54 -10.033 -4.872 4.265 393 2HG LYS 54 2HG LYS 54 -8.866 -3.615 3.840 394 1HD LYS 54 1HD LYS 54 -9.105 -3.480 6.171 395 2HD LYS 54 2HD LYS 54 -9.969 -2.102 5.461 396 1HE LYS 54 1HE LYS 54 -12.132 -3.591 5.759 397 2HE LYS 54 2HE LYS 54 -11.118 -4.613 6.774 398 1HZ LYS 54 1HZ LYS 54 -11.705 -1.746 7.181 399 2HZ LYS 54 2HZ LYS 54 -12.368 -2.992 8.014 400 3HZ LYS 54 3HZ LYS 54 -10.769 -2.659 8.181 401 H SER 55 H SER 55 -11.113 -1.321 1.072 402 HA SER 55 HA SER 55 -13.920 -1.138 0.719 403 1HB SER 55 1HB SER 55 -11.780 0.529 -0.673 404 2HB SER 55 2HB SER 55 -13.458 0.970 -0.333 405 HG SER 55 HG SER 55 -11.363 0.532 1.560 406 H ASN 56 H ASN 56 -11.302 -1.977 -1.536 407 HA ASN 56 HA ASN 56 -12.937 -2.080 -3.911 408 1HB ASN 56 1HB ASN 56 -10.259 -3.350 -3.235 409 2HB ASN 56 2HB ASN 56 -11.080 -3.591 -4.769 410 1HD2 ASN 56 1HD2 ASN 56 -9.798 -0.902 -2.687 411 2HD2 ASN 56 2HD2 ASN 56 -9.470 0.130 -4.065 412 H ASN 57 H ASN 57 -12.022 -4.572 -1.466 413 HA ASN 57 HA ASN 57 -14.323 -6.199 -2.374 414 1HB ASN 57 1HB ASN 57 -12.439 -6.936 -3.765 415 2HB ASN 57 2HB ASN 57 -11.473 -7.287 -2.330 416 1HD2 ASN 57 1HD2 ASN 57 -12.307 -9.133 -4.487 417 2HD2 ASN 57 2HD2 ASN 57 -13.252 -10.380 -3.690 418 H GLY 58 H GLY 58 -11.460 -6.847 -0.249 419 1HA GLY 58 1HA GLY 58 -12.568 -6.425 2.233 420 2HA GLY 58 2HA GLY 58 -13.233 -7.988 1.731 421 HA PRO 59 HA PRO 59 -8.823 -8.925 3.138 422 1HB PRO 59 1HB PRO 59 -9.028 -9.283 5.810 423 2HB PRO 59 2HB PRO 59 -8.803 -7.638 5.141 424 1HG PRO 59 1HG PRO 59 -11.386 -8.944 6.038 425 2HG PRO 59 2HG PRO 59 -10.801 -7.303 6.421 426 1HD PRO 59 1HD PRO 59 -12.581 -7.941 4.358 427 2HD PRO 59 2HD PRO 59 -11.544 -6.495 4.345 428 H THR 60 H THR 60 -8.382 -11.275 3.443 429 HA THR 60 HA THR 60 -10.649 -13.035 4.036 430 HB THR 60 HB THR 60 -10.384 -14.123 1.726 431 HG1 THR 60 HG1 THR 60 -9.524 -11.533 0.949 432 1HG2 THR 60 1HG2 THR 60 -11.673 -11.372 1.525 433 2HG2 THR 60 2HG2 THR 60 -12.048 -12.832 0.606 434 3HG2 THR 60 3HG2 THR 60 -12.424 -12.762 2.338 435 H LYS 61 H LYS 61 -7.899 -13.085 1.929 436 HA LYS 61 HA LYS 61 -6.231 -14.691 3.810 437 1HB LYS 61 1HB LYS 61 -4.575 -14.600 1.932 438 2HB LYS 61 2HB LYS 61 -6.043 -15.508 1.558 439 1HG LYS 61 1HG LYS 61 -6.899 -13.825 0.120 440 2HG LYS 61 2HG LYS 61 -5.829 -12.584 0.794 441 1HD LYS 61 1HD LYS 61 -3.866 -13.741 -0.172 442 2HD LYS 61 2HD LYS 61 -4.951 -14.889 -0.986 443 1HE LYS 61 1HE LYS 61 -5.972 -13.084 -2.295 444 2HE LYS 61 2HE LYS 61 -5.196 -11.850 -1.296 445 1HZ LYS 61 1HZ LYS 61 -3.052 -12.612 -2.169 446 2HZ LYS 61 2HZ LYS 61 -3.848 -13.543 -3.279 447 3HZ LYS 61 3HZ LYS 61 -3.997 -11.903 -3.243 448 H CYS 62 H CYS 62 -4.512 -13.677 4.778 449 HA CYS 62 HA CYS 62 -3.683 -10.927 4.352 450 1HB CYS 62 1HB CYS 62 -2.059 -13.346 5.229 451 2HB CYS 62 2HB CYS 62 -1.616 -11.644 5.462 452 H GLY 63 H GLY 63 -0.803 -12.105 3.697 453 1HA GLY 63 1HA GLY 63 0.362 -13.097 2.017 454 2HA GLY 63 2HA GLY 63 -1.152 -13.592 1.259 455 H GLY 64 H GLY 64 -2.347 -11.143 0.780 456 1HA GLY 64 1HA GLY 64 -1.809 -10.258 -1.640 457 2HA GLY 64 2HA GLY 64 -2.265 -9.135 -0.339 458 H CYS 65 H CYS 65 -0.358 -8.493 1.079 459 HA CYS 65 HA CYS 65 1.536 -7.159 -0.732 460 1HB CYS 65 1HB CYS 65 0.884 -6.612 2.144 461 2HB CYS 65 2HB CYS 65 1.569 -5.478 0.966 462 H HIS 66 H HIS 66 1.487 -9.215 2.105 463 HA HIS 66 HA HIS 66 4.410 -9.165 2.479 464 1HB HIS 66 1HB HIS 66 2.226 -10.684 3.970 465 2HB HIS 66 2HB HIS 66 3.918 -10.570 4.422 466 HD1 HIS 66 HND HIS 66 4.636 -7.689 4.751 467 HD2 HIS 66 HD HIS 66 0.697 -9.063 5.393 468 HE1 HIS 66 HE HIS 66 3.542 -6.150 6.459 469 H ILE 67 H ILE 67 5.545 -10.514 1.168 470 HA ILE 67 HA ILE 67 4.214 -12.729 -0.220 471 HB ILE 67 HB ILE 67 7.099 -11.777 -0.325 472 1HG1 ILE 67 1HG1 ILE 67 5.704 -9.891 -0.934 473 2HG1 ILE 67 2HG1 ILE 67 6.475 -10.557 -2.365 474 1HG2 ILE 67 1HG2 ILE 67 5.462 -13.545 -2.198 475 2HG2 ILE 67 2HG2 ILE 67 7.045 -12.844 -2.599 476 3HG2 ILE 67 3HG2 ILE 67 6.904 -14.004 -1.283 477 1HD1 ILE 67 1HD1 ILE 67 4.332 -11.715 -2.964 478 2HD1 ILE 67 2HD1 ILE 67 3.563 -10.971 -1.540 479 3HD1 ILE 67 3HD1 ILE 67 4.172 -9.959 -2.851 480 H LYS 68 H LYS 68 3.732 -13.601 2.004 481 HA LYS 68 HA LYS 68 5.047 -16.084 2.216 482 1HB LYS 68 1HB LYS 68 6.761 -14.771 3.473 483 2HB LYS 68 2HB LYS 68 5.516 -14.162 4.521 484 1HG LYS 68 1HG LYS 68 6.461 -17.043 4.154 485 2HG LYS 68 2HG LYS 68 6.983 -15.992 5.463 486 1HD LYS 68 1HD LYS 68 4.141 -17.096 5.145 487 2HD LYS 68 2HD LYS 68 5.409 -17.805 6.103 488 1HE LYS 68 1HE LYS 68 3.821 -16.525 7.464 489 2HE LYS 68 2HE LYS 68 5.492 -15.962 7.649 490 1HZ LYS 68 1HZ LYS 68 3.716 -14.220 7.371 491 2HZ LYS 68 2HZ LYS 68 5.037 -14.093 6.392 492 3HZ LYS 68 3HZ LYS 68 3.618 -14.674 5.790 493 HHA HEC 69 HCM HEC 69 8.144 7.079 -0.981 494 HHB HEC 69 HDM HEC 69 6.893 10.282 -6.334 495 HHC HEC 69 HAM HEC 69 1.745 6.599 -7.338 496 HHD HEC 69 HBM HEC 69 2.607 4.307 -1.385 497 1HMA HEC 69 HM81 HEC 69 10.227 10.375 -4.614 498 2HMA HEC 69 HM82 HEC 69 9.107 10.500 -5.960 499 3HMA HEC 69 HM83 HEC 69 8.856 11.499 -4.506 500 1HAA HEC 69 HP71 HEC 69 10.384 9.813 -2.456 501 2HAA HEC 69 HP72 HEC 69 9.447 9.051 -1.207 502 1HBA HEC 69 HP73 HEC 69 10.168 6.800 -2.420 503 2HBA HEC 69 HP74 HEC 69 11.427 7.815 -3.128 504 1HMB HEC 69 HM11 HEC 69 5.366 10.076 -9.557 505 2HMB HEC 69 HM12 HEC 69 4.412 11.188 -8.544 506 3HMB HEC 69 HM13 HEC 69 6.113 10.901 -8.196 507 HAB HEC 69 HT2A HEC 69 1.764 8.060 -8.837 508 1HBB HEC 69 HT21 HEC 69 1.886 9.205 -10.822 509 2HBB HEC 69 HT22 HEC 69 3.182 10.272 -10.290 510 3HBB HEC 69 HT23 HEC 69 3.516 8.552 -10.625 511 1HMC HEC 69 HM31 HEC 69 0.259 4.631 -6.997 512 2HMC HEC 69 HM32 HEC 69 -0.842 4.518 -5.619 513 3HMC HEC 69 HM33 HEC 69 -0.421 6.099 -6.258 514 HAC HEC 69 HT4A HEC 69 0.529 4.009 -1.980 515 1HBC HEC 69 HT41 HEC 69 0.591 1.963 -3.246 516 2HBC HEC 69 HT42 HEC 69 -1.118 2.399 -2.983 517 3HBC HEC 69 HT43 HEC 69 -0.363 2.677 -4.552 518 1HMD HEC 69 HM51 HEC 69 5.035 3.092 0.900 519 2HMD HEC 69 HM52 HEC 69 3.553 4.082 0.786 520 3HMD HEC 69 HM53 HEC 69 3.955 2.838 -0.425 521 1HAD HEC 69 HP61 HEC 69 8.129 4.944 0.447 522 2HAD HEC 69 HP62 HEC 69 7.299 6.363 1.066 523 1HBD HEC 69 HP63 HEC 69 5.621 4.751 2.108 524 2HBD HEC 69 HP64 HEC 69 6.890 3.502 1.872 525 HHA HEC 70 HCM HEC 70 -3.920 -5.476 -6.224 526 HHB HEC 70 HDM HEC 70 0.767 -4.021 -1.995 527 HHC HEC 70 HAM HEC 70 -2.243 1.403 -0.664 528 HHD HEC 70 HBM HEC 70 -6.547 0.245 -5.153 529 1HMA HEC 70 HM81 HEC 70 0.304 -7.416 -3.635 530 2HMA HEC 70 HM82 HEC 70 1.241 -6.129 -4.411 531 3HMA HEC 70 HM83 HEC 70 1.009 -6.128 -2.650 532 1HAA HEC 70 HP71 HEC 70 -2.617 -7.267 -6.052 533 2HAA HEC 70 HP72 HEC 70 -1.075 -7.759 -5.403 534 1HBA HEC 70 HP73 HEC 70 -2.206 -8.136 -3.167 535 2HBA HEC 70 HP74 HEC 70 -3.750 -7.812 -3.965 536 1HMB HEC 70 HM11 HEC 70 1.438 -3.228 0.053 537 2HMB HEC 70 HM12 HEC 70 2.431 -2.131 -0.933 538 3HMB HEC 70 HM13 HEC 70 1.856 -1.632 0.666 539 HAB HEC 70 HT2A HEC 70 -0.677 1.307 0.609 540 1HBB HEC 70 HT21 HEC 70 1.387 1.676 -0.681 541 2HBB HEC 70 HT22 HEC 70 1.494 2.025 1.050 542 3HBB HEC 70 HT23 HEC 70 2.233 0.552 0.399 543 1HMC HEC 70 HM31 HEC 70 -4.835 3.869 -1.773 544 2HMC HEC 70 HM32 HEC 70 -4.439 2.843 -0.384 545 3HMC HEC 70 HM33 HEC 70 -3.153 3.455 -1.456 546 HAC HEC 70 HT4A HEC 70 -7.386 1.587 -3.717 547 1HBC HEC 70 HT41 HEC 70 -6.769 3.272 -5.104 548 2HBC HEC 70 HT42 HEC 70 -7.428 4.199 -3.746 549 3HBC HEC 70 HT43 HEC 70 -5.659 4.027 -3.922 550 1HMD HEC 70 HM51 HEC 70 -7.057 -1.459 -8.217 551 2HMD HEC 70 HM52 HEC 70 -8.155 -2.215 -7.044 552 3HMD HEC 70 HM53 HEC 70 -7.590 -0.553 -6.799 553 1HAD HEC 70 HP61 HEC 70 -6.504 -3.796 -8.500 554 2HAD HEC 70 HP62 HEC 70 -5.111 -4.806 -8.162 555 1HBD HEC 70 HP63 HEC 70 -6.376 -6.014 -6.437 556 2HBD HEC 70 HP64 HEC 70 -7.767 -4.943 -6.682 557 HHA HEC 71 HCM HEC 71 3.433 -3.840 9.164 558 HHB HEC 71 HDM HEC 71 0.517 -9.334 10.620 559 HHC HEC 71 HAM HEC 71 -2.752 -9.000 5.133 560 HHD HEC 71 HBM HEC 71 0.616 -3.910 3.436 561 1HMA HEC 71 HM81 HEC 71 1.916 -8.852 12.279 562 2HMA HEC 71 HM82 HEC 71 3.110 -7.641 12.788 563 3HMA HEC 71 HM83 HEC 71 1.382 -7.301 12.936 564 1HAA HEC 71 HP71 HEC 71 4.542 -4.692 10.860 565 2HAA HEC 71 HP72 HEC 71 4.276 -5.819 12.185 566 1HBA HEC 71 HP73 HEC 71 4.721 -7.613 10.511 567 2HBA HEC 71 HP74 HEC 71 5.394 -6.412 9.398 568 1HMB HEC 71 HM11 HEC 71 -0.310 -11.528 9.954 569 2HMB HEC 71 HM12 HEC 71 -1.739 -10.748 10.682 570 3HMB HEC 71 HM13 HEC 71 -1.926 -11.980 9.414 571 HAB HEC 71 HT2A HEC 71 -3.903 -10.182 6.501 572 1HBB HEC 71 HT21 HEC 71 -5.360 -10.846 8.246 573 2HBB HEC 71 HT22 HEC 71 -4.041 -10.892 9.429 574 3HBB HEC 71 HT23 HEC 71 -4.532 -9.345 8.703 575 1HMC HEC 71 HM31 HEC 71 -2.607 -8.849 2.883 576 2HMC HEC 71 HM32 HEC 71 -3.913 -7.668 3.125 577 3HMC HEC 71 HM33 HEC 71 -2.790 -7.519 1.748 578 HAC HEC 71 HT4A HEC 71 -0.925 -4.073 2.095 579 1HBC HEC 71 HT41 HEC 71 -3.311 -4.061 2.588 580 2HBC HEC 71 HT42 HEC 71 -2.890 -3.963 0.861 581 3HBC HEC 71 HT43 HEC 71 -3.541 -5.462 1.518 582 1HMD HEC 71 HM51 HEC 71 2.458 -2.693 3.344 583 2HMD HEC 71 HM52 HEC 71 1.768 -1.323 4.210 584 3HMD HEC 71 HM53 HEC 71 3.492 -1.713 4.389 585 1HAD HEC 71 HP61 HEC 71 3.664 -1.013 6.636 586 2HAD HEC 71 HP62 HEC 71 3.709 -1.807 8.197 587 1HBD HEC 71 HP63 HEC 71 5.506 -2.439 5.874 588 2HBD HEC 71 HP64 HEC 71 5.917 -1.655 7.389 Start of MODEL 18 1 1H ALA 1 1H ALA 1 11.440 0.223 -9.326 2 2H ALA 1 2H ALA 1 12.797 0.401 -8.382 3 3H ALA 1 3H ALA 1 11.328 0.073 -7.696 4 HA ALA 1 HA ALA 1 11.758 2.334 -7.299 5 1HB ALA 1 1HB ALA 1 12.169 2.492 -10.325 6 2HB ALA 1 2HB ALA 1 12.013 3.893 -9.243 7 3HB ALA 1 3HB ALA 1 13.373 2.771 -9.058 8 H ASP 2 H ASP 2 10.232 1.907 -10.461 9 HA ASP 2 HA ASP 2 7.546 2.195 -10.159 10 1HB ASP 2 1HB ASP 2 7.562 0.214 -11.747 11 2HB ASP 2 2HB ASP 2 8.735 1.447 -12.217 12 H VAL 3 H VAL 3 9.481 -0.612 -9.090 13 HA VAL 3 HA VAL 3 7.294 -1.235 -7.138 14 HB VAL 3 HB VAL 3 7.717 -3.002 -8.772 15 1HG1 VAL 3 1HG1 VAL 3 10.109 -2.644 -9.263 16 2HG1 VAL 3 2HG1 VAL 3 10.538 -3.167 -7.619 17 3HG1 VAL 3 3HG1 VAL 3 9.797 -4.305 -8.756 18 1HG2 VAL 3 1HG2 VAL 3 8.652 -3.810 -5.991 19 2HG2 VAL 3 2HG2 VAL 3 6.960 -3.578 -6.489 20 3HG2 VAL 3 3HG2 VAL 3 7.933 -4.856 -7.227 21 H VAL 4 H VAL 4 7.767 -1.504 -4.964 22 HA VAL 4 HA VAL 4 10.548 -1.004 -3.982 23 HB VAL 4 HB VAL 4 7.947 0.208 -3.022 24 1HG1 VAL 4 1HG1 VAL 4 10.713 0.209 -1.707 25 2HG1 VAL 4 2HG1 VAL 4 9.406 1.314 -1.250 26 3HG1 VAL 4 3HG1 VAL 4 9.208 -0.415 -1.008 27 1HG2 VAL 4 1HG2 VAL 4 9.113 2.349 -3.336 28 2HG2 VAL 4 2HG2 VAL 4 10.531 1.485 -3.975 29 3HG2 VAL 4 3HG2 VAL 4 8.983 1.457 -4.860 30 H THR 5 H THR 5 10.761 -1.972 -1.756 31 HA THR 5 HA THR 5 8.367 -3.241 -0.865 32 HB THR 5 HB THR 5 9.670 -5.226 -1.685 33 HG1 THR 5 HG1 THR 5 8.540 -5.092 0.410 34 1HG2 THR 5 1HG2 THR 5 11.889 -4.336 0.212 35 2HG2 THR 5 2HG2 THR 5 11.823 -5.849 -0.706 36 3HG2 THR 5 3HG2 THR 5 11.968 -4.305 -1.564 37 H TYR 6 H TYR 6 8.089 -3.292 1.304 38 HA TYR 6 HA TYR 6 9.632 -1.337 2.836 39 1HB TYR 6 1HB TYR 6 7.403 -3.189 3.673 40 2HB TYR 6 2HB TYR 6 8.106 -1.942 4.685 41 HD1 TYR 6 HD1 TYR 6 8.255 0.506 3.285 42 HD2 TYR 6 HD2 TYR 6 5.390 -2.644 2.746 43 HE1 TYR 6 HE1 TYR 6 6.790 2.029 2.013 44 HE2 TYR 6 HE2 TYR 6 3.892 -1.093 1.561 45 HH TYR 6 HH TYR 6 4.179 0.927 0.263 46 H GLU 7 H GLU 7 9.850 -4.748 2.163 47 HA GLU 7 HA GLU 7 10.680 -6.533 3.241 48 1HB GLU 7 1HB GLU 7 12.557 -4.741 3.767 49 2HB GLU 7 2HB GLU 7 11.989 -4.958 5.427 50 1HG GLU 7 1HG GLU 7 12.829 -7.357 3.757 51 2HG GLU 7 2HG GLU 7 14.047 -6.270 4.404 52 H ASN 8 H ASN 8 10.715 -7.269 5.823 53 HA ASN 8 HA ASN 8 9.796 -6.542 7.984 54 1HB ASN 8 1HB ASN 8 7.495 -6.523 8.437 55 2HB ASN 8 2HB ASN 8 7.765 -5.375 7.148 56 1HD2 ASN 8 1HD2 ASN 8 6.847 -5.897 5.100 57 2HD2 ASN 8 2HD2 ASN 8 5.839 -7.331 4.778 58 H LYS 9 H LYS 9 8.902 -8.149 9.492 59 HA LYS 9 HA LYS 9 10.169 -10.595 8.697 60 1HB LYS 9 1HB LYS 9 9.996 -9.217 11.076 61 2HB LYS 9 2HB LYS 9 8.785 -10.461 11.337 62 1HG LYS 9 1HG LYS 9 10.739 -11.481 12.144 63 2HG LYS 9 2HG LYS 9 10.556 -12.152 10.533 64 1HD LYS 9 1HD LYS 9 12.862 -11.602 10.668 65 2HD LYS 9 2HD LYS 9 12.153 -10.344 9.670 66 1HE LYS 9 1HE LYS 9 13.716 -9.321 11.172 67 2HE LYS 9 2HE LYS 9 12.102 -8.792 11.638 68 1HZ LYS 9 1HZ LYS 9 12.157 -10.423 13.412 69 2HZ LYS 9 2HZ LYS 9 13.660 -10.923 12.956 70 3HZ LYS 9 3HZ LYS 9 13.435 -9.399 13.526 71 H LYS 10 H LYS 10 6.783 -9.668 9.320 72 HA LYS 10 HA LYS 10 5.668 -12.319 9.135 73 1HB LYS 10 1HB LYS 10 4.491 -9.898 7.728 74 2HB LYS 10 2HB LYS 10 3.639 -11.341 8.228 75 1HG LYS 10 1HG LYS 10 4.731 -9.150 10.039 76 2HG LYS 10 2HG LYS 10 3.134 -9.309 9.424 77 1HD LYS 10 1HD LYS 10 3.028 -10.116 11.649 78 2HD LYS 10 2HD LYS 10 2.794 -11.477 10.569 79 1HE LYS 10 1HE LYS 10 4.197 -11.932 12.596 80 2HE LYS 10 2HE LYS 10 4.971 -12.358 11.083 81 1HZ LYS 10 1HZ LYS 10 6.508 -11.209 12.534 82 2HZ LYS 10 2HZ LYS 10 6.223 -10.204 11.262 83 3HZ LYS 10 3HZ LYS 10 5.537 -9.887 12.636 84 H GLY 11 H GLY 11 6.335 -10.015 6.511 85 1HA GLY 11 1HA GLY 11 7.180 -11.929 4.582 86 2HA GLY 11 2HA GLY 11 5.424 -11.689 4.426 87 H ASN 12 H ASN 12 8.425 -10.485 3.657 88 HA ASN 12 HA ASN 12 8.537 -7.738 3.572 89 1HB ASN 12 1HB ASN 12 9.260 -9.711 1.426 90 2HB ASN 12 2HB ASN 12 9.758 -8.026 1.432 91 1HD2 ASN 12 1HD2 ASN 12 9.710 -9.148 4.733 92 2HD2 ASN 12 2HD2 ASN 12 11.425 -9.155 4.843 93 H VAL 13 H VAL 13 6.997 -6.397 3.024 94 HA VAL 13 HA VAL 13 4.883 -7.088 1.069 95 HB VAL 13 HB VAL 13 5.335 -4.792 2.973 96 1HG1 VAL 13 1HG1 VAL 13 3.167 -3.867 2.009 97 2HG1 VAL 13 2HG1 VAL 13 4.547 -3.677 0.931 98 3HG1 VAL 13 3HG1 VAL 13 3.359 -4.969 0.635 99 1HG2 VAL 13 1HG2 VAL 13 4.226 -6.903 3.747 100 2HG2 VAL 13 2HG2 VAL 13 3.131 -5.520 3.796 101 3HG2 VAL 13 3HG2 VAL 13 3.004 -6.707 2.487 102 H THR 14 H THR 14 5.764 -7.206 -0.858 103 HA THR 14 HA THR 14 7.413 -5.053 -2.024 104 HB THR 14 HB THR 14 6.141 -7.537 -3.260 105 HG1 THR 14 HG1 THR 14 7.738 -7.914 -1.592 106 1HG2 THR 14 1HG2 THR 14 8.359 -5.693 -4.263 107 2HG2 THR 14 2HG2 THR 14 7.842 -7.208 -5.031 108 3HG2 THR 14 3HG2 THR 14 6.725 -5.835 -4.956 109 H PHE 15 H PHE 15 6.449 -3.433 -3.367 110 HA PHE 15 HA PHE 15 3.597 -3.691 -4.009 111 1HB PHE 15 1HB PHE 15 2.943 -1.606 -2.996 112 2HB PHE 15 2HB PHE 15 3.537 -2.724 -1.777 113 HD1 PHE 15 HD1 PHE 15 5.856 -2.424 -0.819 114 HD2 PHE 15 HD2 PHE 15 3.920 0.568 -3.255 115 HE1 PHE 15 HE1 PHE 15 7.293 -0.679 0.170 116 HE2 PHE 15 HE2 PHE 15 5.370 2.315 -2.252 117 HZ PHE 15 HZ PHE 15 7.053 1.680 -0.528 118 H ASP 16 H ASP 16 3.278 -3.077 -5.951 119 HA ASP 16 HA ASP 16 5.194 -1.810 -7.585 120 1HB ASP 16 1HB ASP 16 2.293 -2.504 -8.115 121 2HB ASP 16 2HB ASP 16 3.604 -2.281 -9.309 122 H HIS 17 H HIS 17 5.565 0.232 -6.767 123 HA HIS 17 HA HIS 17 3.805 2.252 -5.978 124 1HB HIS 17 1HB HIS 17 6.346 2.144 -5.744 125 2HB HIS 17 2HB HIS 17 6.492 2.532 -7.433 126 HD1 HIS 17 HND HIS 17 7.321 4.925 -7.554 127 HD2 HIS 17 HD HIS 17 4.261 4.286 -4.737 128 HE1 HIS 17 HE HIS 17 6.661 7.224 -6.618 129 H LYS 18 H LYS 18 5.446 1.967 -9.133 130 HA LYS 18 HA LYS 18 4.081 4.076 -10.441 131 1HB LYS 18 1HB LYS 18 6.095 3.333 -11.405 132 2HB LYS 18 2HB LYS 18 5.568 1.630 -11.468 133 1HG LYS 18 1HG LYS 18 4.000 2.085 -13.225 134 2HG LYS 18 2HG LYS 18 4.174 3.833 -13.006 135 1HD LYS 18 1HD LYS 18 6.497 3.702 -13.820 136 2HD LYS 18 2HD LYS 18 6.350 1.926 -13.953 137 1HE LYS 18 1HE LYS 18 4.543 2.146 -15.604 138 2HE LYS 18 2HE LYS 18 4.503 3.906 -15.399 139 1HZ LYS 18 1HZ LYS 18 6.731 2.374 -16.544 140 2HZ LYS 18 2HZ LYS 18 5.615 3.260 -17.370 141 3HZ LYS 18 3HZ LYS 18 6.677 4.018 -16.365 142 H ALA 19 H ALA 19 3.510 0.555 -10.575 143 HA ALA 19 HA ALA 19 1.258 0.428 -12.175 144 1HB ALA 19 1HB ALA 19 2.363 -1.527 -11.122 145 2HB ALA 19 2HB ALA 19 1.637 -1.003 -9.570 146 3HB ALA 19 3HB ALA 19 0.591 -1.542 -10.894 147 H HIS 20 H HIS 20 1.167 0.870 -8.550 148 HA HIS 20 HA HIS 20 -1.659 1.268 -8.379 149 1HB HIS 20 1HB HIS 20 0.679 2.209 -6.670 150 2HB HIS 20 2HB HIS 20 -0.980 2.663 -6.327 151 HD1 HIS 20 HND HIS 20 1.165 -0.520 -6.466 152 HD2 HIS 20 HD HIS 20 -2.444 0.986 -4.928 153 HE1 HIS 20 HE HIS 20 0.278 -2.255 -4.807 154 H ALA 21 H ALA 21 1.071 3.414 -9.041 155 HA ALA 21 HA ALA 21 -0.383 5.885 -8.884 156 1HB ALA 21 1HB ALA 21 1.445 6.935 -9.913 157 2HB ALA 21 2HB ALA 21 2.138 5.630 -8.907 158 3HB ALA 21 3HB ALA 21 2.038 5.452 -10.662 159 H GLU 22 H GLU 22 0.303 3.861 -11.745 160 HA GLU 22 HA GLU 22 -1.141 5.719 -13.478 161 1HB GLU 22 1HB GLU 22 -0.607 4.229 -15.304 162 2HB GLU 22 2HB GLU 22 0.807 4.637 -14.326 163 1HG GLU 22 1HG GLU 22 0.567 2.375 -13.203 164 2HG GLU 22 2HG GLU 22 -0.706 1.993 -14.369 165 H LYS 23 H LYS 23 -1.797 2.438 -12.167 166 HA LYS 23 HA LYS 23 -4.320 1.975 -13.256 167 1HB LYS 23 1HB LYS 23 -3.188 1.413 -10.479 168 2HB LYS 23 2HB LYS 23 -4.652 0.669 -11.105 169 1HG LYS 23 1HG LYS 23 -2.077 0.453 -12.717 170 2HG LYS 23 2HG LYS 23 -2.258 -0.542 -11.275 171 1HD LYS 23 1HD LYS 23 -4.344 -0.386 -13.441 172 2HD LYS 23 2HD LYS 23 -2.947 -1.481 -13.552 173 1HE LYS 23 1HE LYS 23 -3.591 -2.475 -11.291 174 2HE LYS 23 2HE LYS 23 -5.071 -1.512 -11.323 175 1HZ LYS 23 1HZ LYS 23 -5.682 -2.758 -13.336 176 2HZ LYS 23 2HZ LYS 23 -4.357 -3.745 -13.083 177 3HZ LYS 23 3HZ LYS 23 -5.528 -3.641 -11.967 178 H LEU 24 H LEU 24 -3.462 3.757 -10.270 179 HA LEU 24 HA LEU 24 -6.310 4.440 -9.829 180 1HB LEU 24 1HB LEU 24 -3.926 4.948 -8.036 181 2HB LEU 24 2HB LEU 24 -5.633 5.034 -7.620 182 HG LEU 24 HG LEU 24 -4.280 2.437 -8.530 183 1HD1 LEU 24 1HD1 LEU 24 -4.329 1.867 -6.099 184 2HD1 LEU 24 2HD1 LEU 24 -3.176 3.137 -6.546 185 3HD1 LEU 24 3HD1 LEU 24 -4.687 3.578 -5.764 186 1HD2 LEU 24 1HD2 LEU 24 -6.669 2.356 -8.870 187 2HD2 LEU 24 2HD2 LEU 24 -6.282 1.425 -7.417 188 3HD2 LEU 24 3HD2 LEU 24 -6.981 3.052 -7.268 189 H GLY 25 H GLY 25 -3.135 6.261 -9.915 190 1HA GLY 25 1HA GLY 25 -3.539 8.259 -11.447 191 2HA GLY 25 2HA GLY 25 -4.616 8.823 -10.143 192 H CYS 26 H CYS 26 -3.680 8.938 -7.984 193 HA CYS 26 HA CYS 26 -0.950 8.852 -7.288 194 1HB CYS 26 1HB CYS 26 -1.079 10.888 -9.160 195 2HB CYS 26 2HB CYS 26 -1.551 11.767 -7.732 196 H ASP 27 H ASP 27 -3.768 10.716 -7.227 197 HA ASP 27 HA ASP 27 -4.179 12.039 -4.829 198 1HB ASP 27 1HB ASP 27 -6.546 11.580 -5.437 199 2HB ASP 27 2HB ASP 27 -5.610 12.181 -6.806 200 H ALA 28 H ALA 28 -4.743 8.723 -5.788 201 HA ALA 28 HA ALA 28 -5.921 7.455 -3.733 202 1HB ALA 28 1HB ALA 28 -4.470 5.477 -4.332 203 2HB ALA 28 2HB ALA 28 -5.160 6.333 -5.737 204 3HB ALA 28 3HB ALA 28 -3.460 6.580 -5.295 205 H CYS 29 H CYS 29 -2.506 8.446 -3.731 206 HA CYS 29 HA CYS 29 -2.274 7.710 -0.823 207 1HB CYS 29 1HB CYS 29 -0.174 7.412 -2.945 208 2HB CYS 29 2HB CYS 29 -0.068 6.892 -1.249 209 H HIS 30 H HIS 30 -1.359 10.018 -3.414 210 HA HIS 30 HA HIS 30 -0.095 11.770 -1.338 211 1HB HIS 30 1HB HIS 30 0.773 11.433 -4.220 212 2HB HIS 30 2HB HIS 30 1.514 12.469 -3.016 213 HD1 HIS 30 HND HIS 30 3.206 11.217 -1.297 214 HD2 HIS 30 HD HIS 30 1.705 9.112 -4.569 215 HE1 HIS 30 HE HIS 30 4.901 9.324 -1.868 216 H GLU 31 H GLU 31 -0.997 13.772 -1.337 217 HA GLU 31 HA GLU 31 -2.848 14.559 -3.507 218 1HB GLU 31 1HB GLU 31 -2.144 15.924 -0.871 219 2HB GLU 31 2HB GLU 31 -3.419 16.420 -2.021 220 1HG GLU 31 1HG GLU 31 -4.541 14.263 -1.705 221 2HG GLU 31 2HG GLU 31 -3.328 13.829 -0.477 222 H GLY 32 H GLY 32 -1.638 17.295 -2.260 223 1HA GLY 32 1HA GLY 32 -1.054 18.436 -4.643 224 2HA GLY 32 2HA GLY 32 -0.429 19.060 -3.110 225 H THR 33 H THR 33 1.452 17.037 -2.460 226 HA THR 33 HA THR 33 3.133 16.653 -4.800 227 HB THR 33 HB THR 33 3.978 18.774 -4.099 228 HG1 THR 33 HG1 THR 33 5.763 16.735 -3.204 229 1HG2 THR 33 1HG2 THR 33 3.238 18.847 -1.740 230 2HG2 THR 33 2HG2 THR 33 4.459 17.628 -1.313 231 3HG2 THR 33 3HG2 THR 33 4.959 19.219 -1.911 232 HA PRO 34 HA PRO 34 4.067 13.084 -2.092 233 1HB PRO 34 1HB PRO 34 5.543 11.629 -3.752 234 2HB PRO 34 2HB PRO 34 3.811 11.858 -4.090 235 1HG PRO 34 1HG PRO 34 6.079 13.345 -5.356 236 2HG PRO 34 2HG PRO 34 4.620 12.614 -6.116 237 1HD PRO 34 1HD PRO 34 4.849 15.293 -5.415 238 2HD PRO 34 2HD PRO 34 3.295 14.413 -5.561 239 H ALA 35 H ALA 35 6.504 12.010 -1.972 240 HA ALA 35 HA ALA 35 8.814 13.579 -2.194 241 1HB ALA 35 1HB ALA 35 7.882 15.141 -0.535 242 2HB ALA 35 2HB ALA 35 7.484 13.791 0.550 243 3HB ALA 35 3HB ALA 35 9.177 14.201 0.208 244 H LYS 36 H LYS 36 6.980 11.268 -0.277 245 HA LYS 36 HA LYS 36 8.296 8.947 -0.246 246 1HB LYS 36 1HB LYS 36 9.618 8.939 1.830 247 2HB LYS 36 2HB LYS 36 10.360 9.908 0.606 248 1HG LYS 36 1HG LYS 36 10.416 11.695 1.925 249 2HG LYS 36 2HG LYS 36 8.671 11.697 2.126 250 1HD LYS 36 1HD LYS 36 10.674 10.124 3.818 251 2HD LYS 36 2HD LYS 36 9.831 11.617 4.288 252 1HE LYS 36 1HE LYS 36 7.628 10.372 3.918 253 2HE LYS 36 2HE LYS 36 8.597 8.881 3.737 254 1HZ LYS 36 1HZ LYS 36 8.452 10.509 6.165 255 2HZ LYS 36 2HZ LYS 36 7.675 9.086 5.850 256 3HZ LYS 36 3HZ LYS 36 9.321 9.111 5.960 257 H ILE 37 H ILE 37 7.446 7.718 1.910 258 HA ILE 37 HA ILE 37 5.402 9.360 3.324 259 HB ILE 37 HB ILE 37 4.589 6.601 2.395 260 1HG1 ILE 37 1HG1 ILE 37 4.032 9.239 1.008 261 2HG1 ILE 37 2HG1 ILE 37 4.848 7.790 0.379 262 1HG2 ILE 37 1HG2 ILE 37 3.012 8.996 3.439 263 2HG2 ILE 37 2HG2 ILE 37 2.379 7.368 3.127 264 3HG2 ILE 37 3HG2 ILE 37 3.532 7.621 4.434 265 1HD1 ILE 37 1HD1 ILE 37 1.893 8.149 1.030 266 2HD1 ILE 37 2HD1 ILE 37 2.623 7.811 -0.540 267 3HD1 ILE 37 3HD1 ILE 37 2.619 6.560 0.711 268 H ALA 38 H ALA 38 6.827 6.218 3.026 269 HA ALA 38 HA ALA 38 7.738 4.707 4.418 270 1HB ALA 38 1HB ALA 38 8.930 6.617 5.407 271 2HB ALA 38 2HB ALA 38 7.671 6.742 6.670 272 3HB ALA 38 3HB ALA 38 8.646 5.273 6.533 273 H ILE 39 H ILE 39 5.742 3.685 3.935 274 HA ILE 39 HA ILE 39 3.676 3.633 6.083 275 HB ILE 39 HB ILE 39 3.757 2.550 3.252 276 1HG1 ILE 39 1HG1 ILE 39 3.386 4.928 3.334 277 2HG1 ILE 39 2HG1 ILE 39 1.901 4.064 2.950 278 1HG2 ILE 39 1HG2 ILE 39 2.529 0.911 4.405 279 2HG2 ILE 39 2HG2 ILE 39 1.853 2.108 5.534 280 3HG2 ILE 39 3HG2 ILE 39 1.272 2.024 3.869 281 1HD1 ILE 39 1HD1 ILE 39 1.275 4.328 5.443 282 2HD1 ILE 39 2HD1 ILE 39 2.608 5.502 5.521 283 3HD1 ILE 39 3HD1 ILE 39 1.238 5.783 4.440 284 H ASP 40 H ASP 40 4.441 2.653 7.644 285 HA ASP 40 HA ASP 40 5.688 -0.036 7.427 286 1HB ASP 40 1HB ASP 40 6.878 0.563 9.430 287 2HB ASP 40 2HB ASP 40 7.082 1.861 8.290 288 H LYS 41 H LYS 41 5.442 -1.004 9.680 289 HA LYS 41 HA LYS 41 3.189 -1.977 10.608 290 1HB LYS 41 1HB LYS 41 4.335 -1.900 12.898 291 2HB LYS 41 2HB LYS 41 5.235 -2.636 11.567 292 1HG LYS 41 1HG LYS 41 6.607 -0.697 11.250 293 2HG LYS 41 2HG LYS 41 5.575 0.316 12.264 294 1HD LYS 41 1HD LYS 41 6.361 -0.949 14.247 295 2HD LYS 41 2HD LYS 41 7.396 -1.933 13.168 296 1HE LYS 41 1HE LYS 41 8.459 0.187 12.302 297 2HE LYS 41 2HE LYS 41 7.460 1.138 13.400 298 1HZ LYS 41 1HZ LYS 41 8.574 0.055 15.236 299 2HZ LYS 41 2HZ LYS 41 9.503 -0.827 14.193 300 3HZ LYS 41 3HZ LYS 41 9.648 0.811 14.243 301 H LYS 42 H LYS 42 1.529 -1.358 11.582 302 HA LYS 42 HA LYS 42 -0.161 -0.138 12.506 303 1HB LYS 42 1HB LYS 42 1.899 0.879 13.904 304 2HB LYS 42 2HB LYS 42 1.509 2.331 12.961 305 1HG LYS 42 1HG LYS 42 -0.926 1.903 13.677 306 2HG LYS 42 2HG LYS 42 -0.241 0.663 14.752 307 1HD LYS 42 1HD LYS 42 1.254 2.460 15.759 308 2HD LYS 42 2HD LYS 42 0.499 3.648 14.679 309 1HE LYS 42 1HE LYS 42 -1.729 3.149 15.777 310 2HE LYS 42 2HE LYS 42 -0.881 2.092 16.921 311 1HZ LYS 42 1HZ LYS 42 -0.431 4.989 16.582 312 2HZ LYS 42 2HZ LYS 42 -1.213 4.270 17.834 313 3HZ LYS 42 3HZ LYS 42 0.398 4.023 17.625 314 H SER 43 H SER 43 2.000 1.962 10.454 315 HA SER 43 HA SER 43 -0.087 3.746 9.725 316 1HB SER 43 1HB SER 43 2.410 4.125 9.632 317 2HB SER 43 2HB SER 43 2.466 3.128 8.182 318 HG SER 43 HG SER 43 2.252 5.397 7.779 319 H ALA 44 H ALA 44 1.467 1.229 7.746 320 HA ALA 44 HA ALA 44 -0.123 0.815 5.562 321 1HB ALA 44 1HB ALA 44 1.033 -1.287 7.428 322 2HB ALA 44 2HB ALA 44 0.638 -1.477 5.702 323 3HB ALA 44 3HB ALA 44 1.948 -0.373 6.227 324 H HIS 45 H HIS 45 -0.563 -0.570 8.740 325 HA HIS 45 HA HIS 45 -2.991 -2.001 8.184 326 1HB HIS 45 1HB HIS 45 -1.239 -1.491 10.586 327 2HB HIS 45 2HB HIS 45 -2.857 -2.140 10.802 328 HD1 HIS 45 HND HIS 45 -2.312 -4.478 11.529 329 HD2 HIS 45 HD HIS 45 -0.412 -3.359 7.936 330 HE1 HIS 45 HE HIS 45 -1.191 -6.542 10.620 331 H LYS 46 H LYS 46 -2.396 1.330 9.078 332 HA LYS 46 HA LYS 46 -5.005 1.764 10.314 333 1HB LYS 46 1HB LYS 46 -3.129 3.217 10.736 334 2HB LYS 46 2HB LYS 46 -3.152 3.781 9.067 335 1HG LYS 46 1HG LYS 46 -5.601 4.439 9.434 336 2HG LYS 46 2HG LYS 46 -5.407 3.989 11.133 337 1HD LYS 46 1HD LYS 46 -3.611 5.560 11.404 338 2HD LYS 46 2HD LYS 46 -3.626 5.993 9.690 339 1HE LYS 46 1HE LYS 46 -5.935 6.475 11.650 340 2HE LYS 46 2HE LYS 46 -4.768 7.704 11.140 341 1HZ LYS 46 1HZ LYS 46 -6.655 6.316 9.316 342 2HZ LYS 46 2HZ LYS 46 -6.812 7.838 9.876 343 3HZ LYS 46 3HZ LYS 46 -5.574 7.440 8.874 344 H ASP 47 H ASP 47 -4.359 3.755 7.580 345 HA ASP 47 HA ASP 47 -6.541 2.462 6.017 346 1HB ASP 47 1HB ASP 47 -5.754 5.393 6.298 347 2HB ASP 47 2HB ASP 47 -6.963 4.771 5.168 348 H ALA 48 H ALA 48 -3.231 3.477 5.972 349 HA ALA 48 HA ALA 48 -2.810 4.410 3.445 350 1HB ALA 48 1HB ALA 48 -1.016 2.679 5.218 351 2HB ALA 48 2HB ALA 48 -0.483 3.520 3.743 352 3HB ALA 48 3HB ALA 48 -1.101 4.434 5.131 353 H CYS 49 H CYS 49 -2.495 0.963 4.366 354 HA CYS 49 HA CYS 49 -3.151 0.141 1.578 355 1HB CYS 49 1HB CYS 49 -2.069 -1.627 3.741 356 2HB CYS 49 2HB CYS 49 -1.962 -1.818 1.990 357 H LYS 50 H LYS 50 -3.793 -0.613 5.031 358 HA LYS 50 HA LYS 50 -5.673 -2.624 4.322 359 1HB LYS 50 1HB LYS 50 -4.072 -2.549 6.265 360 2HB LYS 50 2HB LYS 50 -5.143 -1.384 7.029 361 1HG LYS 50 1HG LYS 50 -6.894 -3.513 6.502 362 2HG LYS 50 2HG LYS 50 -5.348 -4.334 6.646 363 1HD LYS 50 1HD LYS 50 -6.171 -4.427 8.799 364 2HD LYS 50 2HD LYS 50 -5.070 -3.072 8.893 365 1HE LYS 50 1HE LYS 50 -8.135 -3.018 8.693 366 2HE LYS 50 2HE LYS 50 -7.151 -2.607 10.103 367 1HZ LYS 50 1HZ LYS 50 -7.332 -1.057 7.600 368 2HZ LYS 50 2HZ LYS 50 -7.921 -0.621 9.052 369 3HZ LYS 50 3HZ LYS 50 -6.303 -0.689 8.817 370 H THR 51 H THR 51 -6.690 -0.160 3.297 371 HA THR 51 HA THR 51 -9.425 -0.424 4.357 372 HB THR 51 HB THR 51 -8.041 2.291 4.261 373 HG1 THR 51 HG1 THR 51 -8.736 2.330 6.410 374 1HG2 THR 51 1HG2 THR 51 -11.007 1.652 4.547 375 2HG2 THR 51 2HG2 THR 51 -10.255 3.234 4.832 376 3HG2 THR 51 3HG2 THR 51 -10.249 2.543 3.205 377 H CYS 52 H CYS 52 -7.419 1.527 2.154 378 HA CYS 52 HA CYS 52 -9.059 1.828 -0.002 379 1HB CYS 52 1HB CYS 52 -6.584 2.485 0.607 380 2HB CYS 52 2HB CYS 52 -6.166 1.098 -0.394 381 H HIS 53 H HIS 53 -7.022 -1.045 0.663 382 HA HIS 53 HA HIS 53 -7.577 -2.448 -1.743 383 1HB HIS 53 1HB HIS 53 -6.686 -3.247 1.053 384 2HB HIS 53 2HB HIS 53 -7.039 -4.461 -0.187 385 HD1 HIS 53 HND HIS 53 -4.377 -5.088 0.132 386 HD2 HIS 53 HD HIS 53 -5.438 -1.564 -1.913 387 HE1 HIS 53 HE HIS 53 -2.461 -4.484 -1.388 388 H LYS 54 H LYS 54 -9.688 -1.984 0.999 389 HA LYS 54 HA LYS 54 -11.085 -4.549 0.700 390 1HB LYS 54 1HB LYS 54 -11.502 -2.174 2.580 391 2HB LYS 54 2HB LYS 54 -12.553 -3.581 2.481 392 1HG LYS 54 1HG LYS 54 -11.156 -4.085 4.248 393 2HG LYS 54 2HG LYS 54 -10.595 -5.061 2.885 394 1HD LYS 54 1HD LYS 54 -8.977 -2.749 2.751 395 2HD LYS 54 2HD LYS 54 -9.210 -2.951 4.469 396 1HE LYS 54 1HE LYS 54 -8.268 -5.142 2.537 397 2HE LYS 54 2HE LYS 54 -7.179 -4.158 3.513 398 1HZ LYS 54 1HZ LYS 54 -8.106 -5.086 5.484 399 2HZ LYS 54 2HZ LYS 54 -9.289 -5.857 4.652 400 3HZ LYS 54 3HZ LYS 54 -7.750 -6.354 4.499 401 H SER 55 H SER 55 -11.387 -4.076 -1.497 402 HA SER 55 HA SER 55 -14.047 -3.318 -2.217 403 1HB SER 55 1HB SER 55 -13.058 -1.009 -1.968 404 2HB SER 55 2HB SER 55 -11.850 -1.420 -3.195 405 HG SER 55 HG SER 55 -13.739 -1.864 -4.587 406 H ASN 56 H ASN 56 -10.619 -3.710 -3.274 407 HA ASN 56 HA ASN 56 -11.558 -5.291 -5.624 408 1HB ASN 56 1HB ASN 56 -9.676 -4.763 -6.755 409 2HB ASN 56 2HB ASN 56 -9.947 -3.257 -5.878 410 1HD2 ASN 56 1HD2 ASN 56 -8.474 -2.821 -3.965 411 2HD2 ASN 56 2HD2 ASN 56 -7.039 -3.834 -3.759 412 H ASN 57 H ASN 57 -9.394 -5.442 -2.720 413 HA ASN 57 HA ASN 57 -8.329 -7.986 -3.586 414 1HB ASN 57 1HB ASN 57 -8.073 -6.433 -1.005 415 2HB ASN 57 2HB ASN 57 -7.300 -7.997 -1.274 416 1HD2 ASN 57 1HD2 ASN 57 -5.627 -8.238 -2.978 417 2HD2 ASN 57 2HD2 ASN 57 -4.824 -6.852 -3.594 418 H GLY 58 H GLY 58 -9.589 -9.716 -3.649 419 1HA GLY 58 1HA GLY 58 -11.742 -10.576 -2.197 420 2HA GLY 58 2HA GLY 58 -10.475 -11.656 -2.791 421 HA PRO 59 HA PRO 59 -9.198 -12.377 1.426 422 1HB PRO 59 1HB PRO 59 -6.477 -12.052 1.591 423 2HB PRO 59 2HB PRO 59 -7.253 -13.406 0.720 424 1HG PRO 59 1HG PRO 59 -6.228 -10.809 -0.448 425 2HG PRO 59 2HG PRO 59 -5.912 -12.469 -1.032 426 1HD PRO 59 1HD PRO 59 -7.819 -10.901 -2.140 427 2HD PRO 59 2HD PRO 59 -8.115 -12.647 -1.923 428 H THR 60 H THR 60 -9.828 -11.062 3.033 429 HA THR 60 HA THR 60 -9.442 -8.159 2.811 430 HB THR 60 HB THR 60 -11.208 -8.414 4.736 431 HG1 THR 60 HG1 THR 60 -12.212 -10.634 4.315 432 1HG2 THR 60 1HG2 THR 60 -13.031 -8.820 3.143 433 2HG2 THR 60 2HG2 THR 60 -11.798 -7.789 2.398 434 3HG2 THR 60 3HG2 THR 60 -11.892 -9.504 1.970 435 H LYS 61 H LYS 61 -9.583 -10.544 5.324 436 HA LYS 61 HA LYS 61 -8.234 -9.611 7.484 437 1HB LYS 61 1HB LYS 61 -7.586 -12.089 7.811 438 2HB LYS 61 2HB LYS 61 -9.287 -11.695 7.627 439 1HG LYS 61 1HG LYS 61 -9.544 -12.762 5.647 440 2HG LYS 61 2HG LYS 61 -7.968 -12.305 5.019 441 1HD LYS 61 1HD LYS 61 -6.926 -14.007 6.610 442 2HD LYS 61 2HD LYS 61 -8.579 -14.559 6.962 443 1HE LYS 61 1HE LYS 61 -8.928 -15.020 4.529 444 2HE LYS 61 2HE LYS 61 -7.304 -14.405 4.168 445 1HZ LYS 61 1HZ LYS 61 -7.886 -16.786 5.799 446 2HZ LYS 61 2HZ LYS 61 -7.339 -16.775 4.250 447 3HZ LYS 61 3HZ LYS 61 -6.386 -16.195 5.452 448 H CYS 62 H CYS 62 -6.277 -12.045 5.925 449 HA CYS 62 HA CYS 62 -3.979 -10.262 5.627 450 1HB CYS 62 1HB CYS 62 -3.446 -12.985 6.695 451 2HB CYS 62 2HB CYS 62 -2.490 -11.503 6.817 452 H GLY 63 H GLY 63 -2.214 -11.654 4.480 453 1HA GLY 63 1HA GLY 63 -1.697 -13.258 2.813 454 2HA GLY 63 2HA GLY 63 -3.414 -13.506 2.464 455 H GLY 64 H GLY 64 -4.106 -10.701 2.404 456 1HA GLY 64 1HA GLY 64 -4.007 -9.910 -0.177 457 2HA GLY 64 2HA GLY 64 -4.029 -8.784 1.197 458 H CYS 65 H CYS 65 -1.500 -9.099 2.235 459 HA CYS 65 HA CYS 65 0.130 -7.766 0.098 460 1HB CYS 65 1HB CYS 65 -0.019 -7.065 3.001 461 2HB CYS 65 2HB CYS 65 0.680 -6.097 1.694 462 H HIS 66 H HIS 66 0.401 -9.373 3.324 463 HA HIS 66 HA HIS 66 3.226 -9.807 3.074 464 1HB HIS 66 1HB HIS 66 1.165 -11.202 4.823 465 2HB HIS 66 2HB HIS 66 2.906 -11.364 4.971 466 HD1 HIS 66 HND HIS 66 4.219 -8.813 5.318 467 HD2 HIS 66 HD HIS 66 0.128 -9.236 6.320 468 HE1 HIS 66 HE HIS 66 3.579 -6.907 6.921 469 H ILE 67 H ILE 67 3.972 -10.993 1.389 470 HA ILE 67 HA ILE 67 2.685 -13.445 0.464 471 HB ILE 67 HB ILE 67 5.507 -12.461 -0.140 472 1HG1 ILE 67 1HG1 ILE 67 4.100 -11.871 -2.388 473 2HG1 ILE 67 2HG1 ILE 67 2.852 -11.530 -1.189 474 1HG2 ILE 67 1HG2 ILE 67 5.267 -13.868 -2.130 475 2HG2 ILE 67 2HG2 ILE 67 5.020 -14.845 -0.681 476 3HG2 ILE 67 3HG2 ILE 67 3.622 -14.326 -1.642 477 1HD1 ILE 67 1HD1 ILE 67 4.194 -9.531 -1.755 478 2HD1 ILE 67 2HD1 ILE 67 4.473 -9.952 -0.061 479 3HD1 ILE 67 3HD1 ILE 67 5.685 -10.372 -1.281 480 H LYS 68 H LYS 68 2.500 -14.498 2.585 481 HA LYS 68 HA LYS 68 4.836 -16.155 3.049 482 1HB LYS 68 1HB LYS 68 5.146 -14.198 4.592 483 2HB LYS 68 2HB LYS 68 3.575 -14.557 5.308 484 1HG LYS 68 1HG LYS 68 5.310 -15.366 6.732 485 2HG LYS 68 2HG LYS 68 4.420 -16.722 6.141 486 1HD LYS 68 1HD LYS 68 6.973 -15.745 4.739 487 2HD LYS 68 2HD LYS 68 7.110 -16.614 6.257 488 1HE LYS 68 1HE LYS 68 6.231 -17.696 3.561 489 2HE LYS 68 2HE LYS 68 7.481 -18.268 4.663 490 1HZ LYS 68 1HZ LYS 68 4.572 -18.486 4.956 491 2HZ LYS 68 2HZ LYS 68 5.620 -19.716 4.755 492 3HZ LYS 68 3HZ LYS 68 5.602 -18.870 6.187 493 HHA HEC 69 HCM HEC 69 8.124 7.349 -1.835 494 HHB HEC 69 HDM HEC 69 6.175 10.961 -6.659 495 HHC HEC 69 HAM HEC 69 0.944 7.252 -7.207 496 HHD HEC 69 HBM HEC 69 2.463 4.624 -1.593 497 1HMA HEC 69 HM81 HEC 69 9.663 11.034 -5.276 498 2HMA HEC 69 HM82 HEC 69 8.439 11.130 -6.531 499 3HMA HEC 69 HM83 HEC 69 8.275 12.118 -5.055 500 1HAA HEC 69 HP71 HEC 69 10.114 10.214 -3.273 501 2HAA HEC 69 HP72 HEC 69 9.693 8.927 -2.169 502 1HBA HEC 69 HP73 HEC 69 10.259 7.235 -3.805 503 2HBA HEC 69 HP74 HEC 69 10.449 8.455 -5.071 504 1HMB HEC 69 HM11 HEC 69 4.234 10.823 -9.673 505 2HMB HEC 69 HM12 HEC 69 3.491 11.976 -8.530 506 3HMB HEC 69 HM13 HEC 69 5.210 11.584 -8.433 507 HAB HEC 69 HT2A HEC 69 0.781 8.814 -8.630 508 1HBB HEC 69 HT21 HEC 69 2.312 9.449 -10.554 509 2HBB HEC 69 HT22 HEC 69 0.671 10.098 -10.546 510 3HBB HEC 69 HT23 HEC 69 2.003 11.144 -10.084 511 1HMC HEC 69 HM31 HEC 69 -0.458 5.107 -6.747 512 2HMC HEC 69 HM32 HEC 69 -1.391 5.043 -5.249 513 3HMC HEC 69 HM33 HEC 69 -1.046 6.607 -5.985 514 HAC HEC 69 HT4A HEC 69 0.442 4.271 -1.914 515 1HBC HEC 69 HT41 HEC 69 -0.878 2.472 -2.551 516 2HBC HEC 69 HT42 HEC 69 -1.200 3.119 -4.153 517 3HBC HEC 69 HT43 HEC 69 0.418 2.488 -3.757 518 1HMD HEC 69 HM51 HEC 69 3.817 4.637 0.796 519 2HMD HEC 69 HM52 HEC 69 3.959 3.349 -0.417 520 3HMD HEC 69 HM53 HEC 69 5.343 3.754 0.610 521 1HAD HEC 69 HP61 HEC 69 7.544 6.907 0.099 522 2HAD HEC 69 HP62 HEC 69 6.422 5.988 1.041 523 1HBD HEC 69 HP63 HEC 69 7.746 3.934 0.579 524 2HBD HEC 69 HP64 HEC 69 8.899 4.929 -0.343 525 HHA HEC 70 HCM HEC 70 -2.856 -5.126 -6.312 526 HHB HEC 70 HDM HEC 70 0.882 -4.060 -1.210 527 HHC HEC 70 HAM HEC 70 -2.258 1.395 -0.147 528 HHD HEC 70 HBM HEC 70 -6.205 0.114 -4.932 529 1HMA HEC 70 HM81 HEC 70 1.449 -6.851 -3.721 530 2HMA HEC 70 HM82 HEC 70 1.787 -5.737 -2.402 531 3HMA HEC 70 HM83 HEC 70 0.543 -6.992 -2.202 532 1HAA HEC 70 HP71 HEC 70 -1.378 -6.678 -6.314 533 2HAA HEC 70 HP72 HEC 70 0.222 -6.996 -5.688 534 1HBA HEC 70 HP73 HEC 70 -1.132 -8.947 -5.404 535 2HBA HEC 70 HP74 HEC 70 -0.808 -8.287 -3.800 536 1HMB HEC 70 HM11 HEC 70 1.599 -1.753 1.627 537 2HMB HEC 70 HM12 HEC 70 0.996 -3.332 1.110 538 3HMB HEC 70 HM13 HEC 70 2.246 -2.489 0.156 539 HAB HEC 70 HT2A HEC 70 -0.790 1.264 1.261 540 1HBB HEC 70 HT21 HEC 70 1.314 2.043 1.678 541 2HBB HEC 70 HT22 HEC 70 2.067 0.450 1.530 542 3HBB HEC 70 HT23 HEC 70 1.493 1.314 0.087 543 1HMC HEC 70 HM31 HEC 70 -4.547 3.944 -1.823 544 2HMC HEC 70 HM32 HEC 70 -4.478 3.104 -0.258 545 3HMC HEC 70 HM33 HEC 70 -2.997 3.418 -1.166 546 HAC HEC 70 HT4A HEC 70 -7.250 1.176 -3.160 547 1HBC HEC 70 HT41 HEC 70 -7.817 3.263 -4.275 548 2HBC HEC 70 HT42 HEC 70 -6.152 3.837 -4.092 549 3HBC HEC 70 HT43 HEC 70 -6.516 2.429 -5.129 550 1HMD HEC 70 HM51 HEC 70 -6.327 -1.254 -8.044 551 2HMD HEC 70 HM52 HEC 70 -7.327 -2.474 -7.242 552 3HMD HEC 70 HM53 HEC 70 -7.212 -0.861 -6.558 553 1HAD HEC 70 HP61 HEC 70 -4.550 -2.832 -8.727 554 2HAD HEC 70 HP62 HEC 70 -3.567 -4.186 -8.234 555 1HBD HEC 70 HP63 HEC 70 -5.400 -5.676 -8.247 556 2HBD HEC 70 HP64 HEC 70 -6.592 -4.374 -8.140 557 HHA HEC 71 HCM HEC 71 4.248 -4.499 9.348 558 HHB HEC 71 HDM HEC 71 0.593 -9.243 11.611 559 HHC HEC 71 HAM HEC 71 -3.312 -8.525 6.618 560 HHD HEC 71 HBM HEC 71 0.534 -4.145 4.146 561 1HMA HEC 71 HM81 HEC 71 1.626 -8.287 13.325 562 2HMA HEC 71 HM82 HEC 71 3.394 -8.488 13.199 563 3HMA HEC 71 HM83 HEC 71 2.699 -6.948 13.699 564 1HAA HEC 71 HP71 HEC 71 4.667 -4.776 11.575 565 2HAA HEC 71 HP72 HEC 71 4.627 -6.029 12.800 566 1HBA HEC 71 HP73 HEC 71 5.897 -6.409 10.075 567 2HBA HEC 71 HP74 HEC 71 6.780 -5.793 11.493 568 1HMB HEC 71 HM11 HEC 71 -1.829 -10.330 11.992 569 2HMB HEC 71 HM12 HEC 71 -2.289 -11.576 10.806 570 3HMB HEC 71 HM13 HEC 71 -0.586 -11.318 11.183 571 HAB HEC 71 HT2A HEC 71 -4.359 -9.460 8.187 572 1HBB HEC 71 HT21 HEC 71 -5.639 -9.866 10.132 573 2HBB HEC 71 HT22 HEC 71 -4.201 -10.228 11.095 574 3HBB HEC 71 HT23 HEC 71 -4.459 -8.586 10.469 575 1HMC HEC 71 HM31 HEC 71 -3.365 -8.537 4.276 576 2HMC HEC 71 HM32 HEC 71 -4.504 -7.284 4.811 577 3HMC HEC 71 HM33 HEC 71 -3.705 -7.170 3.222 578 HAC HEC 71 HT4A HEC 71 -1.216 -4.139 3.006 579 1HBC HEC 71 HT41 HEC 71 -3.408 -3.677 2.172 580 2HBC HEC 71 HT42 HEC 71 -4.117 -5.002 3.105 581 3HBC HEC 71 HT43 HEC 71 -3.409 -3.616 3.946 582 1HMD HEC 71 HM51 HEC 71 3.221 -1.705 4.898 583 2HMD HEC 71 HM52 HEC 71 3.674 -3.183 4.063 584 3HMD HEC 71 HM53 HEC 71 2.008 -2.569 3.961 585 1HAD HEC 71 HP61 HEC 71 4.673 -1.940 6.549 586 2HAD HEC 71 HP62 HEC 71 4.318 -2.373 8.214 587 1HBD HEC 71 HP63 HEC 71 5.679 -4.584 7.327 588 2HBD HEC 71 HP64 HEC 71 6.521 -3.261 6.507 Start of MODEL 19 1 1H ALA 1 1H ALA 1 6.131 5.333 -7.339 2 2H ALA 1 2H ALA 1 6.864 6.748 -7.089 3 3H ALA 1 3H ALA 1 5.889 6.502 -8.397 4 HA ALA 1 HA ALA 1 7.861 6.148 -9.481 5 1HB ALA 1 1HB ALA 1 9.860 5.281 -8.423 6 2HB ALA 1 2HB ALA 1 9.175 6.549 -7.401 7 3HB ALA 1 3HB ALA 1 8.968 4.842 -6.956 8 H ASP 2 H ASP 2 9.232 3.573 -9.508 9 HA ASP 2 HA ASP 2 7.060 1.721 -10.087 10 1HB ASP 2 1HB ASP 2 8.899 0.418 -11.112 11 2HB ASP 2 2HB ASP 2 8.919 2.083 -11.691 12 H VAL 3 H VAL 3 7.992 -0.603 -9.631 13 HA VAL 3 HA VAL 3 6.620 -0.912 -7.236 14 HB VAL 3 HB VAL 3 8.208 -2.974 -8.813 15 1HG1 VAL 3 1HG1 VAL 3 5.954 -3.318 -6.784 16 2HG1 VAL 3 2HG1 VAL 3 6.607 -4.600 -7.820 17 3HG1 VAL 3 3HG1 VAL 3 7.634 -3.857 -6.589 18 1HG2 VAL 3 1HG2 VAL 3 6.570 -1.895 -10.265 19 2HG2 VAL 3 2HG2 VAL 3 5.909 -3.458 -9.783 20 3HG2 VAL 3 3HG2 VAL 3 5.336 -1.976 -8.999 21 H VAL 4 H VAL 4 7.213 -0.849 -5.173 22 HA VAL 4 HA VAL 4 10.010 -1.532 -4.374 23 HB VAL 4 HB VAL 4 8.085 0.504 -3.257 24 1HG1 VAL 4 1HG1 VAL 4 9.078 -0.696 -1.298 25 2HG1 VAL 4 2HG1 VAL 4 10.687 -0.534 -2.013 26 3HG1 VAL 4 3HG1 VAL 4 9.799 0.899 -1.464 27 1HG2 VAL 4 1HG2 VAL 4 9.965 2.033 -3.554 28 2HG2 VAL 4 2HG2 VAL 4 10.959 0.703 -4.192 29 3HG2 VAL 4 3HG2 VAL 4 9.535 1.266 -5.093 30 H THR 5 H THR 5 10.105 -2.584 -2.315 31 HA THR 5 HA THR 5 7.556 -3.512 -1.314 32 HB THR 5 HB THR 5 8.447 -5.558 -2.348 33 HG1 THR 5 HG1 THR 5 7.897 -5.336 0.071 34 1HG2 THR 5 1HG2 THR 5 10.826 -4.944 -2.634 35 2HG2 THR 5 2HG2 THR 5 11.068 -5.033 -0.873 36 3HG2 THR 5 3HG2 THR 5 10.657 -6.490 -1.789 37 H TYR 6 H TYR 6 7.346 -3.440 0.805 38 HA TYR 6 HA TYR 6 9.382 -2.042 2.427 39 1HB TYR 6 1HB TYR 6 6.834 -3.293 3.416 40 2HB TYR 6 2HB TYR 6 7.817 -2.061 4.191 41 HD1 TYR 6 HD1 TYR 6 7.879 0.256 2.938 42 HD2 TYR 6 HD2 TYR 6 5.280 -2.876 1.764 43 HE1 TYR 6 HE1 TYR 6 6.377 1.893 1.787 44 HE2 TYR 6 HE2 TYR 6 3.637 -1.261 0.867 45 HH TYR 6 HH TYR 6 3.965 0.891 -0.217 46 H GLU 7 H GLU 7 11.064 -3.525 2.431 47 HA GLU 7 HA GLU 7 10.699 -6.346 2.927 48 1HB GLU 7 1HB GLU 7 12.644 -5.056 1.920 49 2HB GLU 7 2HB GLU 7 13.075 -4.699 3.620 50 1HG GLU 7 1HG GLU 7 12.786 -7.412 2.340 51 2HG GLU 7 2HG GLU 7 14.325 -6.574 2.542 52 H ASN 8 H ASN 8 10.603 -7.337 4.924 53 HA ASN 8 HA ASN 8 10.939 -6.045 7.450 54 1HB ASN 8 1HB ASN 8 8.644 -5.948 8.172 55 2HB ASN 8 2HB ASN 8 8.755 -5.032 6.668 56 1HD2 ASN 8 1HD2 ASN 8 7.074 -5.535 5.225 57 2HD2 ASN 8 2HD2 ASN 8 6.515 -7.202 4.937 58 H LYS 9 H LYS 9 9.899 -7.715 9.179 59 HA LYS 9 HA LYS 9 11.383 -10.141 8.404 60 1HB LYS 9 1HB LYS 9 11.999 -8.726 10.323 61 2HB LYS 9 2HB LYS 9 10.482 -9.114 11.128 62 1HG LYS 9 1HG LYS 9 11.037 -11.357 11.459 63 2HG LYS 9 2HG LYS 9 12.230 -11.406 10.174 64 1HD LYS 9 1HD LYS 9 12.486 -9.970 12.862 65 2HD LYS 9 2HD LYS 9 13.298 -11.465 12.401 66 1HE LYS 9 1HE LYS 9 13.853 -8.623 11.465 67 2HE LYS 9 2HE LYS 9 14.953 -9.785 12.192 68 1HZ LYS 9 1HZ LYS 9 13.821 -9.948 9.477 69 2HZ LYS 9 2HZ LYS 9 15.364 -9.550 9.857 70 3HZ LYS 9 3HZ LYS 9 14.822 -11.077 10.145 71 H LYS 10 H LYS 10 8.202 -9.049 9.540 72 HA LYS 10 HA LYS 10 6.899 -11.562 9.864 73 1HB LYS 10 1HB LYS 10 5.751 -9.575 10.420 74 2HB LYS 10 2HB LYS 10 6.004 -8.876 8.823 75 1HG LYS 10 1HG LYS 10 3.696 -9.410 9.146 76 2HG LYS 10 2HG LYS 10 4.395 -10.276 7.792 77 1HD LYS 10 1HD LYS 10 2.855 -11.686 9.092 78 2HD LYS 10 2HD LYS 10 4.483 -12.364 9.046 79 1HE LYS 10 1HE LYS 10 4.927 -11.437 11.341 80 2HE LYS 10 2HE LYS 10 3.271 -10.808 11.378 81 1HZ LYS 10 1HZ LYS 10 4.069 -13.638 11.158 82 2HZ LYS 10 2HZ LYS 10 3.489 -12.907 12.509 83 3HZ LYS 10 3HZ LYS 10 2.512 -13.099 11.197 84 H GLY 11 H GLY 11 7.637 -9.775 6.899 85 1HA GLY 11 1HA GLY 11 7.966 -11.703 5.001 86 2HA GLY 11 2HA GLY 11 6.199 -11.593 5.148 87 H ASN 12 H ASN 12 8.867 -10.265 3.686 88 HA ASN 12 HA ASN 12 8.820 -7.548 3.225 89 1HB ASN 12 1HB ASN 12 8.896 -9.738 1.157 90 2HB ASN 12 2HB ASN 12 9.369 -8.060 0.916 91 1HD2 ASN 12 1HD2 ASN 12 10.291 -8.953 4.138 92 2HD2 ASN 12 2HD2 ASN 12 11.974 -9.137 3.736 93 H VAL 13 H VAL 13 7.084 -6.197 2.694 94 HA VAL 13 HA VAL 13 4.612 -7.328 1.458 95 HB VAL 13 HB VAL 13 5.136 -4.692 2.840 96 1HG1 VAL 13 1HG1 VAL 13 2.850 -5.714 1.123 97 2HG1 VAL 13 2HG1 VAL 13 2.520 -4.548 2.411 98 3HG1 VAL 13 3HG1 VAL 13 3.591 -4.115 1.065 99 1HG2 VAL 13 1HG2 VAL 13 3.613 -5.426 4.469 100 2HG2 VAL 13 2HG2 VAL 13 3.147 -6.853 3.522 101 3HG2 VAL 13 3HG2 VAL 13 4.780 -6.717 4.218 102 H THR 14 H THR 14 4.463 -7.212 -0.707 103 HA THR 14 HA THR 14 6.095 -5.221 -2.210 104 HB THR 14 HB THR 14 4.320 -7.488 -3.185 105 HG1 THR 14 HG1 THR 14 6.323 -7.969 -1.983 106 1HG2 THR 14 1HG2 THR 14 6.340 -5.711 -4.642 107 2HG2 THR 14 2HG2 THR 14 5.564 -7.155 -5.321 108 3HG2 THR 14 3HG2 THR 14 4.582 -5.738 -4.919 109 H PHE 15 H PHE 15 5.158 -3.453 -3.262 110 HA PHE 15 HA PHE 15 2.193 -3.317 -3.384 111 1HB PHE 15 1HB PHE 15 2.232 -0.950 -2.833 112 2HB PHE 15 2HB PHE 15 2.740 -1.949 -1.482 113 HD1 PHE 15 HD1 PHE 15 5.293 -2.262 -1.081 114 HD2 PHE 15 HD2 PHE 15 3.585 0.951 -3.408 115 HE1 PHE 15 HE1 PHE 15 7.090 -0.767 -0.340 116 HE2 PHE 15 HE2 PHE 15 5.449 2.431 -2.708 117 HZ PHE 15 HZ PHE 15 7.150 1.581 -1.073 118 H ASP 16 H ASP 16 1.656 -3.097 -5.488 119 HA ASP 16 HA ASP 16 3.773 -2.627 -7.404 120 1HB ASP 16 1HB ASP 16 1.925 -4.248 -7.765 121 2HB ASP 16 2HB ASP 16 0.828 -2.887 -8.035 122 H HIS 17 H HIS 17 4.344 -0.654 -6.525 123 HA HIS 17 HA HIS 17 3.083 1.695 -6.150 124 1HB HIS 17 1HB HIS 17 5.544 0.918 -5.896 125 2HB HIS 17 2HB HIS 17 5.759 1.427 -7.558 126 HD1 HIS 17 HND HIS 17 7.636 2.733 -5.811 127 HD2 HIS 17 HD HIS 17 3.688 4.103 -6.225 128 HE1 HIS 17 HE HIS 17 7.587 5.119 -4.848 129 H LYS 18 H LYS 18 4.689 0.860 -9.254 130 HA LYS 18 HA LYS 18 3.751 3.106 -10.687 131 1HB LYS 18 1HB LYS 18 5.639 2.090 -11.533 132 2HB LYS 18 2HB LYS 18 4.944 0.445 -11.525 133 1HG LYS 18 1HG LYS 18 3.503 1.050 -13.405 134 2HG LYS 18 2HG LYS 18 3.946 2.753 -13.212 135 1HD LYS 18 1HD LYS 18 6.294 2.197 -13.811 136 2HD LYS 18 2HD LYS 18 5.833 0.475 -13.925 137 1HE LYS 18 1HE LYS 18 4.246 1.005 -15.760 138 2HE LYS 18 2HE LYS 18 4.615 2.728 -15.620 139 1HZ LYS 18 1HZ LYS 18 5.778 1.712 -17.422 140 2HZ LYS 18 2HZ LYS 18 6.870 2.223 -16.299 141 3HZ LYS 18 3HZ LYS 18 6.504 0.619 -16.430 142 H ALA 19 H ALA 19 2.542 -0.339 -10.769 143 HA ALA 19 HA ALA 19 0.382 0.068 -12.489 144 1HB ALA 19 1HB ALA 19 -0.790 -1.691 -11.261 145 2HB ALA 19 2HB ALA 19 0.921 -2.106 -11.520 146 3HB ALA 19 3HB ALA 19 0.355 -1.482 -9.924 147 H HIS 20 H HIS 20 0.394 0.545 -8.910 148 HA HIS 20 HA HIS 20 -2.305 1.477 -8.680 149 1HB HIS 20 1HB HIS 20 0.201 1.905 -7.007 150 2HB HIS 20 2HB HIS 20 -1.324 2.679 -6.623 151 HD1 HIS 20 HND HIS 20 -0.148 -0.958 -7.202 152 HD2 HIS 20 HD HIS 20 -2.781 1.375 -4.915 153 HE1 HIS 20 HE HIS 20 -1.323 -2.551 -5.561 154 H ALA 21 H ALA 21 0.752 3.018 -9.541 155 HA ALA 21 HA ALA 21 -0.220 5.739 -9.404 156 1HB ALA 21 1HB ALA 21 2.029 4.824 -11.224 157 2HB ALA 21 2HB ALA 21 1.739 6.407 -10.517 158 3HB ALA 21 3HB ALA 21 2.220 5.038 -9.477 159 H GLU 22 H GLU 22 0.119 3.538 -12.216 160 HA GLU 22 HA GLU 22 -1.074 5.520 -13.980 161 1HB GLU 22 1HB GLU 22 -0.947 3.807 -15.737 162 2HB GLU 22 2HB GLU 22 0.576 4.151 -14.911 163 1HG GLU 22 1HG GLU 22 0.169 2.036 -13.538 164 2HG GLU 22 2HG GLU 22 -1.143 1.663 -14.660 165 H LYS 23 H LYS 23 -2.315 2.581 -12.382 166 HA LYS 23 HA LYS 23 -4.923 2.653 -13.513 167 1HB LYS 23 1HB LYS 23 -3.885 1.636 -10.834 168 2HB LYS 23 2HB LYS 23 -5.490 1.291 -11.462 169 1HG LYS 23 1HG LYS 23 -2.918 0.515 -12.948 170 2HG LYS 23 2HG LYS 23 -3.764 -0.515 -11.785 171 1HD LYS 23 1HD LYS 23 -5.860 -0.136 -13.248 172 2HD LYS 23 2HD LYS 23 -4.772 0.583 -14.441 173 1HE LYS 23 1HE LYS 23 -5.164 -1.703 -15.069 174 2HE LYS 23 2HE LYS 23 -3.478 -1.556 -14.552 175 1HZ LYS 23 1HZ LYS 23 -4.700 -3.543 -13.662 176 2HZ LYS 23 2HZ LYS 23 -4.074 -2.623 -12.462 177 3HZ LYS 23 3HZ LYS 23 -5.615 -2.542 -12.719 178 H LEU 24 H LEU 24 -3.650 4.094 -10.440 179 HA LEU 24 HA LEU 24 -6.326 5.231 -9.920 180 1HB LEU 24 1HB LEU 24 -3.850 5.396 -8.190 181 2HB LEU 24 2HB LEU 24 -5.517 5.703 -7.739 182 HG LEU 24 HG LEU 24 -4.518 2.945 -8.621 183 1HD1 LEU 24 1HD1 LEU 24 -3.352 3.561 -6.626 184 2HD1 LEU 24 2HD1 LEU 24 -4.810 4.179 -5.872 185 3HD1 LEU 24 3HD1 LEU 24 -4.646 2.434 -6.170 186 1HD2 LEU 24 1HD2 LEU 24 -7.126 3.939 -7.409 187 2HD2 LEU 24 2HD2 LEU 24 -6.888 3.130 -8.971 188 3HD2 LEU 24 3HD2 LEU 24 -6.639 2.232 -7.466 189 H GLY 25 H GLY 25 -2.942 6.404 -10.452 190 1HA GLY 25 1HA GLY 25 -3.060 8.424 -11.939 191 2HA GLY 25 2HA GLY 25 -3.903 9.227 -10.602 192 H CYS 26 H CYS 26 -2.831 9.060 -8.522 193 HA CYS 26 HA CYS 26 -0.176 8.698 -7.829 194 1HB CYS 26 1HB CYS 26 -0.063 10.682 -9.791 195 2HB CYS 26 2HB CYS 26 -0.361 11.635 -8.363 196 H ASP 27 H ASP 27 -2.812 10.959 -7.961 197 HA ASP 27 HA ASP 27 -2.647 12.473 -5.683 198 1HB ASP 27 1HB ASP 27 -5.264 11.447 -6.876 199 2HB ASP 27 2HB ASP 27 -4.932 13.024 -6.156 200 H ALA 28 H ALA 28 -3.991 9.342 -6.245 201 HA ALA 28 HA ALA 28 -5.482 8.616 -4.092 202 1HB ALA 28 1HB ALA 28 -4.568 6.308 -4.532 203 2HB ALA 28 2HB ALA 28 -5.049 7.187 -6.007 204 3HB ALA 28 3HB ALA 28 -3.331 7.046 -5.577 205 H CYS 29 H CYS 29 -1.945 8.914 -4.202 206 HA CYS 29 HA CYS 29 -1.784 8.273 -1.266 207 1HB CYS 29 1HB CYS 29 0.260 7.644 -3.390 208 2HB CYS 29 2HB CYS 29 0.289 7.159 -1.682 209 H HIS 30 H HIS 30 -0.305 10.028 -4.044 210 HA HIS 30 HA HIS 30 1.367 11.567 -2.122 211 1HB HIS 30 1HB HIS 30 1.378 11.310 -5.142 212 2HB HIS 30 2HB HIS 30 2.425 12.396 -4.242 213 HD1 HIS 30 HND HIS 30 3.821 10.966 -2.138 214 HD2 HIS 30 HD HIS 30 2.519 8.994 -5.582 215 HE1 HIS 30 HE HIS 30 5.283 8.823 -2.405 216 H GLU 31 H GLU 31 -0.856 12.382 -1.389 217 HA GLU 31 HA GLU 31 -2.129 14.459 -2.903 218 1HB GLU 31 1HB GLU 31 -1.960 14.458 0.169 219 2HB GLU 31 2HB GLU 31 -3.189 15.125 -0.903 220 1HG GLU 31 1HG GLU 31 -3.558 12.733 -1.664 221 2HG GLU 31 2HG GLU 31 -2.611 12.208 -0.267 222 H GLY 32 H GLY 32 0.016 14.662 -0.179 223 1HA GLY 32 1HA GLY 32 0.426 17.496 -0.304 224 2HA GLY 32 2HA GLY 32 1.337 16.373 0.717 225 H THR 33 H THR 33 2.960 14.948 -0.604 226 HA THR 33 HA THR 33 4.115 16.004 -2.981 227 HB THR 33 HB THR 33 4.868 17.834 -1.541 228 HG1 THR 33 HG1 THR 33 6.429 17.325 -2.924 229 1HG2 THR 33 1HG2 THR 33 6.117 15.742 0.291 230 2HG2 THR 33 2HG2 THR 33 6.283 17.499 0.413 231 3HG2 THR 33 3HG2 THR 33 4.704 16.747 0.683 232 HA PRO 34 HA PRO 34 5.618 11.787 -2.331 233 1HB PRO 34 1HB PRO 34 7.079 11.350 -4.515 234 2HB PRO 34 2HB PRO 34 5.335 11.679 -4.665 235 1HG PRO 34 1HG PRO 34 7.598 13.670 -4.916 236 2HG PRO 34 2HG PRO 34 6.260 13.375 -6.071 237 1HD PRO 34 1HD PRO 34 6.145 15.381 -4.237 238 2HD PRO 34 2HD PRO 34 4.690 14.439 -4.678 239 H ALA 35 H ALA 35 6.746 13.415 -0.563 240 HA ALA 35 HA ALA 35 9.700 13.114 -0.711 241 1HB ALA 35 1HB ALA 35 7.849 14.177 1.457 242 2HB ALA 35 2HB ALA 35 9.630 14.231 1.473 243 3HB ALA 35 3HB ALA 35 8.720 15.147 0.246 244 H LYS 36 H LYS 36 8.746 10.780 -1.186 245 HA LYS 36 HA LYS 36 8.171 8.673 -0.632 246 1HB LYS 36 1HB LYS 36 9.165 9.161 2.210 247 2HB LYS 36 2HB LYS 36 8.886 7.627 1.401 248 1HG LYS 36 1HG LYS 36 10.701 8.685 -0.317 249 2HG LYS 36 2HG LYS 36 11.221 9.435 1.200 250 1HD LYS 36 1HD LYS 36 10.784 6.473 0.608 251 2HD LYS 36 2HD LYS 36 12.349 7.249 0.836 252 1HE LYS 36 1HE LYS 36 11.989 7.544 3.193 253 2HE LYS 36 2HE LYS 36 10.261 7.239 3.083 254 1HZ LYS 36 1HZ LYS 36 12.212 5.128 2.533 255 2HZ LYS 36 2HZ LYS 36 11.357 5.326 3.945 256 3HZ LYS 36 3HZ LYS 36 10.596 5.026 2.533 257 H ILE 37 H ILE 37 6.921 7.526 1.519 258 HA ILE 37 HA ILE 37 4.743 9.419 2.400 259 HB ILE 37 HB ILE 37 4.486 6.428 1.907 260 1HG1 ILE 37 1HG1 ILE 37 4.661 7.674 -0.153 261 2HG1 ILE 37 2HG1 ILE 37 3.115 6.863 0.065 262 1HG2 ILE 37 1HG2 ILE 37 2.025 6.910 2.267 263 2HG2 ILE 37 2HG2 ILE 37 3.034 7.000 3.715 264 3HG2 ILE 37 3HG2 ILE 37 2.500 8.491 2.922 265 1HD1 ILE 37 1HD1 ILE 37 3.564 9.858 0.352 266 2HD1 ILE 37 2HD1 ILE 37 2.644 9.002 -0.904 267 3HD1 ILE 37 3HD1 ILE 37 2.044 9.024 0.744 268 H ALA 38 H ALA 38 6.322 6.419 3.040 269 HA ALA 38 HA ALA 38 7.190 5.374 4.865 270 1HB ALA 38 1HB ALA 38 7.388 6.323 7.013 271 2HB ALA 38 2HB ALA 38 7.861 7.544 5.772 272 3HB ALA 38 3HB ALA 38 6.287 7.651 6.629 273 H ILE 39 H ILE 39 5.267 4.227 3.979 274 HA ILE 39 HA ILE 39 2.921 3.929 5.702 275 HB ILE 39 HB ILE 39 4.285 2.201 3.608 276 1HG1 ILE 39 1HG1 ILE 39 3.437 4.351 2.728 277 2HG1 ILE 39 2HG1 ILE 39 2.619 2.943 2.088 278 1HG2 ILE 39 1HG2 ILE 39 1.575 1.844 4.907 279 2HG2 ILE 39 2HG2 ILE 39 2.183 0.917 3.517 280 3HG2 ILE 39 3HG2 ILE 39 2.995 0.808 5.087 281 1HD1 ILE 39 1HD1 ILE 39 0.675 3.391 3.582 282 2HD1 ILE 39 2HD1 ILE 39 1.505 4.834 4.204 283 3HD1 ILE 39 3HD1 ILE 39 1.029 4.737 2.502 284 H ASP 40 H ASP 40 2.962 3.124 7.540 285 HA ASP 40 HA ASP 40 5.072 1.247 8.534 286 1HB ASP 40 1HB ASP 40 4.351 3.464 9.804 287 2HB ASP 40 2HB ASP 40 3.006 2.486 10.373 288 H LYS 41 H LYS 41 3.895 -0.145 10.239 289 HA LYS 41 HA LYS 41 2.105 -1.981 8.944 290 1HB LYS 41 1HB LYS 41 2.100 -3.145 11.066 291 2HB LYS 41 2HB LYS 41 3.717 -2.652 10.595 292 1HG LYS 41 1HG LYS 41 3.293 -0.630 12.228 293 2HG LYS 41 2HG LYS 41 2.052 -1.666 12.908 294 1HD LYS 41 1HD LYS 41 3.572 -3.205 13.726 295 2HD LYS 41 2HD LYS 41 4.768 -2.926 12.468 296 1HE LYS 41 1HE LYS 41 4.184 -0.882 14.647 297 2HE LYS 41 2HE LYS 41 5.435 -2.128 14.769 298 1HZ LYS 41 1HZ LYS 41 6.502 -1.214 12.828 299 2HZ LYS 41 2HZ LYS 41 5.355 -0.083 12.633 300 3HZ LYS 41 3HZ LYS 41 6.318 -0.023 13.947 301 H LYS 42 H LYS 42 1.575 0.343 11.652 302 HA LYS 42 HA LYS 42 -1.215 0.112 11.800 303 1HB LYS 42 1HB LYS 42 0.115 1.224 13.493 304 2HB LYS 42 2HB LYS 42 0.720 2.419 12.322 305 1HG LYS 42 1HG LYS 42 -1.452 3.372 12.032 306 2HG LYS 42 2HG LYS 42 -2.220 2.024 12.893 307 1HD LYS 42 1HD LYS 42 -2.191 4.009 14.299 308 2HD LYS 42 2HD LYS 42 -1.181 2.737 15.010 309 1HE LYS 42 1HE LYS 42 0.866 3.848 14.175 310 2HE LYS 42 2HE LYS 42 -0.105 5.050 13.307 311 1HZ LYS 42 1HZ LYS 42 -0.898 5.848 15.422 312 2HZ LYS 42 2HZ LYS 42 -0.018 4.716 16.235 313 3HZ LYS 42 3HZ LYS 42 0.743 5.892 15.374 314 H SER 43 H SER 43 0.784 2.565 9.985 315 HA SER 43 HA SER 43 -1.538 3.605 8.662 316 1HB SER 43 1HB SER 43 1.370 4.013 8.134 317 2HB SER 43 2HB SER 43 0.003 5.098 7.781 318 HG SER 43 HG SER 43 1.176 5.702 9.744 319 H ALA 44 H ALA 44 -0.657 0.905 8.073 320 HA ALA 44 HA ALA 44 -1.140 0.854 5.131 321 1HB ALA 44 1HB ALA 44 -0.081 -1.438 5.248 322 2HB ALA 44 2HB ALA 44 1.078 -0.179 5.734 323 3HB ALA 44 3HB ALA 44 0.306 -1.161 6.960 324 H HIS 45 H HIS 45 -1.551 -0.690 8.286 325 HA HIS 45 HA HIS 45 -3.624 -2.547 7.402 326 1HB HIS 45 1HB HIS 45 -2.717 -1.717 10.180 327 2HB HIS 45 2HB HIS 45 -3.829 -3.036 9.822 328 HD1 HIS 45 HND HIS 45 -1.451 -3.768 11.444 329 HD2 HIS 45 HD HIS 45 -1.465 -3.838 7.231 330 HE1 HIS 45 HE HIS 45 0.289 -5.457 10.733 331 H LYS 46 H LYS 46 -3.546 0.739 8.652 332 HA LYS 46 HA LYS 46 -6.383 0.890 8.063 333 1HB LYS 46 1HB LYS 46 -6.480 0.291 10.455 334 2HB LYS 46 2HB LYS 46 -5.320 1.563 10.835 335 1HG LYS 46 1HG LYS 46 -7.549 2.309 11.441 336 2HG LYS 46 2HG LYS 46 -6.896 3.300 10.162 337 1HD LYS 46 1HD LYS 46 -9.184 2.939 9.601 338 2HD LYS 46 2HD LYS 46 -8.235 2.016 8.464 339 1HE LYS 46 1HE LYS 46 -10.096 0.670 9.096 340 2HE LYS 46 2HE LYS 46 -8.653 -0.073 9.784 341 1HZ LYS 46 1HZ LYS 46 -10.558 1.661 11.233 342 2HZ LYS 46 2HZ LYS 46 -10.480 0.023 11.349 343 3HZ LYS 46 3HZ LYS 46 -9.232 0.942 11.895 344 H ASP 47 H ASP 47 -6.576 2.608 6.857 345 HA ASP 47 HA ASP 47 -6.784 4.732 6.351 346 1HB ASP 47 1HB ASP 47 -6.261 5.185 8.905 347 2HB ASP 47 2HB ASP 47 -4.693 5.725 8.286 348 H ALA 48 H ALA 48 -4.892 2.736 5.404 349 HA ALA 48 HA ALA 48 -3.813 4.508 3.327 350 1HB ALA 48 1HB ALA 48 -2.340 2.618 5.161 351 2HB ALA 48 2HB ALA 48 -1.655 3.078 3.559 352 3HB ALA 48 3HB ALA 48 -1.964 4.310 4.803 353 H CYS 49 H CYS 49 -2.806 1.218 3.651 354 HA CYS 49 HA CYS 49 -3.918 0.564 1.090 355 1HB CYS 49 1HB CYS 49 -3.010 -1.522 3.025 356 2HB CYS 49 2HB CYS 49 -2.847 -1.500 1.291 357 H LYS 50 H LYS 50 -4.551 -0.787 4.361 358 HA LYS 50 HA LYS 50 -7.108 -1.934 3.478 359 1HB LYS 50 1HB LYS 50 -5.505 -3.154 4.824 360 2HB LYS 50 2HB LYS 50 -5.643 -1.970 6.115 361 1HG LYS 50 1HG LYS 50 -7.933 -2.667 6.575 362 2HG LYS 50 2HG LYS 50 -7.979 -3.647 5.088 363 1HD LYS 50 1HD LYS 50 -6.175 -5.089 5.986 364 2HD LYS 50 2HD LYS 50 -6.096 -4.086 7.452 365 1HE LYS 50 1HE LYS 50 -8.412 -4.702 8.038 366 2HE LYS 50 2HE LYS 50 -8.579 -5.629 6.535 367 1HZ LYS 50 1HZ LYS 50 -6.882 -7.121 7.320 368 2HZ LYS 50 2HZ LYS 50 -6.682 -6.251 8.705 369 3HZ LYS 50 3HZ LYS 50 -8.100 -7.034 8.418 370 H THR 51 H THR 51 -7.287 0.556 2.996 371 HA THR 51 HA THR 51 -9.689 1.269 4.407 372 HB THR 51 HB THR 51 -7.375 3.269 4.276 373 HG1 THR 51 HG1 THR 51 -8.376 3.512 6.501 374 1HG2 THR 51 1HG2 THR 51 -9.389 4.411 3.420 375 2HG2 THR 51 2HG2 THR 51 -10.334 3.805 4.800 376 3HG2 THR 51 3HG2 THR 51 -9.014 4.968 5.049 377 H CYS 52 H CYS 52 -7.205 2.512 2.065 378 HA CYS 52 HA CYS 52 -9.052 3.441 0.144 379 1HB CYS 52 1HB CYS 52 -6.556 3.814 0.463 380 2HB CYS 52 2HB CYS 52 -6.314 2.305 -0.427 381 H HIS 53 H HIS 53 -7.530 0.232 0.591 382 HA HIS 53 HA HIS 53 -8.438 -0.942 -1.777 383 1HB HIS 53 1HB HIS 53 -7.788 -2.095 0.970 384 2HB HIS 53 2HB HIS 53 -8.295 -3.128 -0.368 385 HD1 HIS 53 HND HIS 53 -5.550 -3.883 0.504 386 HD2 HIS 53 HD HIS 53 -6.378 -0.911 -2.345 387 HE1 HIS 53 HE HIS 53 -3.521 -3.666 -1.017 388 H LYS 54 H LYS 54 -10.585 -0.063 0.757 389 HA LYS 54 HA LYS 54 -12.406 -1.868 1.266 390 1HB LYS 54 1HB LYS 54 -12.797 0.903 0.209 391 2HB LYS 54 2HB LYS 54 -14.208 -0.101 0.588 392 1HG LYS 54 1HG LYS 54 -13.685 -0.306 2.868 393 2HG LYS 54 2HG LYS 54 -11.990 0.096 2.623 394 1HD LYS 54 1HD LYS 54 -13.008 1.963 3.686 395 2HD LYS 54 2HD LYS 54 -12.591 2.414 2.026 396 1HE LYS 54 1HE LYS 54 -14.974 2.017 1.328 397 2HE LYS 54 2HE LYS 54 -15.383 1.603 3.002 398 1HZ LYS 54 1HZ LYS 54 -14.386 4.213 2.059 399 2HZ LYS 54 2HZ LYS 54 -15.938 3.864 2.470 400 3HZ LYS 54 3HZ LYS 54 -14.765 3.851 3.621 401 H SER 55 H SER 55 -12.535 -3.650 0.080 402 HA SER 55 HA SER 55 -13.556 -5.149 -1.237 403 1HB SER 55 1HB SER 55 -15.087 -2.893 -2.579 404 2HB SER 55 2HB SER 55 -15.466 -4.614 -2.601 405 HG SER 55 HG SER 55 -15.713 -4.508 -0.310 406 H ASN 56 H ASN 56 -10.997 -4.112 -1.955 407 HA ASN 56 HA ASN 56 -11.011 -5.099 -4.798 408 1HB ASN 56 1HB ASN 56 -8.946 -3.336 -3.397 409 2HB ASN 56 2HB ASN 56 -8.751 -4.096 -4.976 410 1HD2 ASN 56 1HD2 ASN 56 -10.199 -1.447 -3.236 411 2HD2 ASN 56 2HD2 ASN 56 -10.928 -0.675 -4.637 412 H ASN 57 H ASN 57 -8.634 -4.941 -2.148 413 HA ASN 57 HA ASN 57 -7.163 -7.165 -2.672 414 1HB ASN 57 1HB ASN 57 -6.408 -5.685 -1.032 415 2HB ASN 57 2HB ASN 57 -7.903 -5.788 -0.089 416 1HD2 ASN 57 1HD2 ASN 57 -8.412 -8.095 0.779 417 2HD2 ASN 57 2HD2 ASN 57 -7.057 -8.905 1.543 418 H GLY 58 H GLY 58 -7.478 -9.323 -2.738 419 1HA GLY 58 1HA GLY 58 -10.025 -10.488 -2.182 420 2HA GLY 58 2HA GLY 58 -8.547 -11.343 -2.610 421 HA PRO 59 HA PRO 59 -8.382 -13.230 1.165 422 1HB PRO 59 1HB PRO 59 -5.791 -13.311 2.067 423 2HB PRO 59 2HB PRO 59 -6.325 -14.086 0.544 424 1HG PRO 59 1HG PRO 59 -5.126 -11.334 0.890 425 2HG PRO 59 2HG PRO 59 -4.559 -12.618 -0.227 426 1HD PRO 59 1HD PRO 59 -6.178 -10.634 -1.093 427 2HD PRO 59 2HD PRO 59 -6.489 -12.310 -1.629 428 H THR 60 H THR 60 -8.652 -13.105 3.426 429 HA THR 60 HA THR 60 -8.550 -10.351 4.556 430 HB THR 60 HB THR 60 -10.312 -11.539 6.122 431 HG1 THR 60 HG1 THR 60 -10.725 -12.919 3.684 432 1HG2 THR 60 1HG2 THR 60 -10.815 -9.634 4.663 433 2HG2 THR 60 2HG2 THR 60 -10.917 -10.699 3.249 434 3HG2 THR 60 3HG2 THR 60 -12.114 -10.834 4.557 435 H LYS 61 H LYS 61 -7.560 -13.715 4.973 436 HA LYS 61 HA LYS 61 -6.775 -13.355 7.777 437 1HB LYS 61 1HB LYS 61 -6.627 -15.709 5.845 438 2HB LYS 61 2HB LYS 61 -6.102 -15.742 7.529 439 1HG LYS 61 1HG LYS 61 -8.275 -16.747 7.344 440 2HG LYS 61 2HG LYS 61 -8.373 -15.267 8.317 441 1HD LYS 61 1HD LYS 61 -9.400 -14.068 6.526 442 2HD LYS 61 2HD LYS 61 -9.095 -15.397 5.364 443 1HE LYS 61 1HE LYS 61 -10.746 -16.766 6.735 444 2HE LYS 61 2HE LYS 61 -10.996 -15.332 7.749 445 1HZ LYS 61 1HZ LYS 61 -11.688 -15.690 4.925 446 2HZ LYS 61 2HZ LYS 61 -12.663 -15.213 6.160 447 3HZ LYS 61 3HZ LYS 61 -11.508 -14.186 5.544 448 H CYS 62 H CYS 62 -5.548 -11.516 6.538 449 HA CYS 62 HA CYS 62 -3.628 -10.501 6.075 450 1HB CYS 62 1HB CYS 62 -2.067 -12.950 6.913 451 2HB CYS 62 2HB CYS 62 -1.534 -11.260 6.909 452 H GLY 63 H GLY 63 -1.188 -11.895 4.990 453 1HA GLY 63 1HA GLY 63 -0.425 -13.080 3.159 454 2HA GLY 63 2HA GLY 63 -2.085 -13.552 2.778 455 H GLY 64 H GLY 64 -3.283 -11.100 2.439 456 1HA GLY 64 1HA GLY 64 -3.283 -10.384 -0.100 457 2HA GLY 64 2HA GLY 64 -3.448 -9.173 1.188 458 H CYS 65 H CYS 65 -0.908 -8.953 2.121 459 HA CYS 65 HA CYS 65 0.424 -7.554 -0.165 460 1HB CYS 65 1HB CYS 65 0.327 -6.665 2.693 461 2HB CYS 65 2HB CYS 65 0.683 -5.692 1.256 462 H HIS 66 H HIS 66 0.970 -8.940 3.105 463 HA HIS 66 HA HIS 66 3.827 -9.072 2.947 464 1HB HIS 66 1HB HIS 66 1.832 -10.747 4.534 465 2HB HIS 66 2HB HIS 66 3.577 -10.811 4.719 466 HD1 HIS 66 HND HIS 66 4.803 -8.509 5.634 467 HD2 HIS 66 HD HIS 66 0.587 -8.677 5.824 468 HE1 HIS 66 HE HIS 66 4.011 -6.619 7.159 469 H ILE 67 H ILE 67 4.876 -10.175 1.339 470 HA ILE 67 HA ILE 67 3.713 -12.586 0.143 471 HB ILE 67 HB ILE 67 6.496 -11.397 -0.127 472 1HG1 ILE 67 1HG1 ILE 67 4.910 -9.683 -0.775 473 2HG1 ILE 67 2HG1 ILE 67 5.690 -10.360 -2.201 474 1HG2 ILE 67 1HG2 ILE 67 6.419 -13.706 -0.890 475 2HG2 ILE 67 2HG2 ILE 67 4.954 -13.401 -1.834 476 3HG2 ILE 67 3HG2 ILE 67 6.491 -12.636 -2.293 477 1HD1 ILE 67 1HD1 ILE 67 3.630 -11.719 -2.648 478 2HD1 ILE 67 2HD1 ILE 67 2.859 -10.959 -1.232 479 3HD1 ILE 67 3HD1 ILE 67 3.332 -9.975 -2.621 480 H LYS 68 H LYS 68 3.348 -13.787 2.082 481 HA LYS 68 HA LYS 68 5.760 -15.136 3.147 482 1HB LYS 68 1HB LYS 68 5.097 -13.552 4.794 483 2HB LYS 68 2HB LYS 68 3.392 -13.970 4.667 484 1HG LYS 68 1HG LYS 68 5.359 -16.152 5.416 485 2HG LYS 68 2HG LYS 68 5.045 -14.887 6.595 486 1HD LYS 68 1HD LYS 68 3.135 -15.783 7.238 487 2HD LYS 68 2HD LYS 68 2.462 -15.739 5.620 488 1HE LYS 68 1HE LYS 68 4.240 -18.016 6.644 489 2HE LYS 68 2HE LYS 68 2.473 -17.984 6.766 490 1HZ LYS 68 1HZ LYS 68 2.881 -19.139 4.786 491 2HZ LYS 68 2HZ LYS 68 2.569 -17.586 4.249 492 3HZ LYS 68 3HZ LYS 68 4.051 -18.086 4.280 493 HHA HEC 69 HCM HEC 69 8.330 6.728 -1.972 494 HHB HEC 69 HDM HEC 69 7.028 10.022 -7.290 495 HHC HEC 69 HAM HEC 69 1.478 6.862 -7.809 496 HHD HEC 69 HBM HEC 69 2.422 4.671 -1.882 497 1HMA HEC 69 HM81 HEC 69 8.731 11.024 -6.289 498 2HMA HEC 69 HM82 HEC 69 9.940 10.708 -5.053 499 3HMA HEC 69 HM83 HEC 69 9.983 9.785 -6.574 500 1HAA HEC 69 HP71 HEC 69 10.227 9.420 -2.839 501 2HAA HEC 69 HP72 HEC 69 10.140 7.663 -2.623 502 1HBA HEC 69 HP73 HEC 69 11.607 9.153 -4.747 503 2HBA HEC 69 HP74 HEC 69 12.168 7.901 -3.644 504 1HMB HEC 69 HM11 HEC 69 4.783 11.121 -9.311 505 2HMB HEC 69 HM12 HEC 69 6.362 10.310 -9.321 506 3HMB HEC 69 HM13 HEC 69 5.137 9.805 -10.462 507 HAB HEC 69 HT2A HEC 69 1.499 8.365 -9.287 508 1HBB HEC 69 HT21 HEC 69 3.034 8.774 -11.268 509 2HBB HEC 69 HT22 HEC 69 1.514 9.664 -11.197 510 3HBB HEC 69 HT23 HEC 69 3.005 10.494 -10.781 511 1HMC HEC 69 HM31 HEC 69 -0.278 4.958 -7.122 512 2HMC HEC 69 HM32 HEC 69 -1.243 5.367 -5.692 513 3HMC HEC 69 HM33 HEC 69 -0.592 6.658 -6.685 514 HAC HEC 69 HT4A HEC 69 0.415 4.414 -2.313 515 1HBC HEC 69 HT41 HEC 69 0.117 2.669 -4.183 516 2HBC HEC 69 HT42 HEC 69 -1.129 2.824 -2.937 517 3HBC HEC 69 HT43 HEC 69 -1.406 3.522 -4.525 518 1HMD HEC 69 HM51 HEC 69 5.009 3.746 0.614 519 2HMD HEC 69 HM52 HEC 69 3.502 4.685 0.460 520 3HMD HEC 69 HM53 HEC 69 3.794 3.300 -0.598 521 1HAD HEC 69 HP61 HEC 69 7.788 6.329 0.005 522 2HAD HEC 69 HP62 HEC 69 6.567 5.544 0.947 523 1HBD HEC 69 HP63 HEC 69 7.430 3.351 0.350 524 2HBD HEC 69 HP64 HEC 69 8.585 4.093 -0.779 525 HHA HEC 70 HCM HEC 70 -4.667 -4.847 -6.187 526 HHB HEC 70 HDM HEC 70 -0.389 -4.140 -1.467 527 HHC HEC 70 HAM HEC 70 -2.476 1.835 -0.641 528 HHD HEC 70 HBM HEC 70 -7.059 0.912 -4.918 529 1HMA HEC 70 HM81 HEC 70 -1.066 -6.503 -1.764 530 2HMA HEC 70 HM82 HEC 70 -1.112 -7.443 -3.250 531 3HMA HEC 70 HM83 HEC 70 0.132 -6.197 -3.044 532 1HAA HEC 70 HP71 HEC 70 -3.668 -6.841 -5.894 533 2HAA HEC 70 HP72 HEC 70 -2.637 -7.696 -4.776 534 1HBA HEC 70 HP73 HEC 70 -4.314 -7.303 -2.957 535 2HBA HEC 70 HP74 HEC 70 -5.375 -6.545 -4.152 536 1HMB HEC 70 HM11 HEC 70 0.946 -1.812 1.141 537 2HMB HEC 70 HM12 HEC 70 -0.148 -3.186 0.963 538 3HMB HEC 70 HM13 HEC 70 1.187 -2.968 -0.179 539 HAB HEC 70 HT2A HEC 70 -1.315 1.391 0.947 540 1HBB HEC 70 HT21 HEC 70 1.495 0.298 1.109 541 2HBB HEC 70 HT22 HEC 70 0.962 1.625 0.060 542 3HBB HEC 70 HT23 HEC 70 0.806 1.765 1.819 543 1HMC HEC 70 HM31 HEC 70 -4.504 4.625 -2.176 544 2HMC HEC 70 HM32 HEC 70 -4.336 3.821 -0.597 545 3HMC HEC 70 HM33 HEC 70 -2.970 3.902 -1.718 546 HAC HEC 70 HT4A HEC 70 -7.686 2.311 -3.190 547 1HBC HEC 70 HT41 HEC 70 -6.836 3.292 -5.273 548 2HBC HEC 70 HT42 HEC 70 -7.999 4.334 -4.438 549 3HBC HEC 70 HT43 HEC 70 -6.271 4.709 -4.341 550 1HMD HEC 70 HM51 HEC 70 -7.547 0.015 -7.548 551 2HMD HEC 70 HM52 HEC 70 -8.445 -1.510 -7.470 552 3HMD HEC 70 HM53 HEC 70 -8.583 -0.351 -6.144 553 1HAD HEC 70 HP61 HEC 70 -5.640 -4.094 -8.059 554 2HAD HEC 70 HP62 HEC 70 -7.131 -3.204 -8.375 555 1HBD HEC 70 HP63 HEC 70 -5.822 -1.176 -8.904 556 2HBD HEC 70 HP64 HEC 70 -4.330 -2.022 -8.492 557 HHA HEC 71 HCM HEC 71 4.524 -3.756 8.765 558 HHB HEC 71 HDM HEC 71 1.487 -8.679 11.398 559 HHC HEC 71 HAM HEC 71 -2.724 -8.614 6.586 560 HHD HEC 71 HBM HEC 71 0.463 -3.894 3.832 561 1HMA HEC 71 HM81 HEC 71 4.009 -8.468 12.196 562 2HMA HEC 71 HM82 HEC 71 4.504 -6.927 12.908 563 3HMA HEC 71 HM83 HEC 71 2.821 -7.453 13.060 564 1HAA HEC 71 HP71 HEC 71 5.868 -4.557 10.274 565 2HAA HEC 71 HP72 HEC 71 5.643 -5.241 11.882 566 1HBA HEC 71 HP73 HEC 71 5.963 -7.500 10.897 567 2HBA HEC 71 HP74 HEC 71 6.287 -6.742 9.327 568 1HMB HEC 71 HM11 HEC 71 -0.903 -9.847 12.048 569 2HMB HEC 71 HM12 HEC 71 -1.301 -11.199 10.962 570 3HMB HEC 71 HM13 HEC 71 0.383 -10.755 11.214 571 HAB HEC 71 HT2A HEC 71 -3.656 -9.597 8.227 572 1HBB HEC 71 HT21 HEC 71 -3.337 -10.132 11.177 573 2HBB HEC 71 HT22 HEC 71 -3.908 -8.619 10.448 574 3HBB HEC 71 HT23 HEC 71 -4.823 -10.125 10.218 575 1HMC HEC 71 HM31 HEC 71 -4.182 -7.433 4.747 576 2HMC HEC 71 HM32 HEC 71 -3.403 -7.413 3.149 577 3HMC HEC 71 HM33 HEC 71 -2.994 -8.681 4.299 578 HAC HEC 71 HT4A HEC 71 -1.319 -4.096 2.788 579 1HBC HEC 71 HT41 HEC 71 -3.504 -3.817 3.807 580 2HBC HEC 71 HT42 HEC 71 -3.548 -3.893 2.035 581 3HBC HEC 71 HT43 HEC 71 -4.085 -5.285 2.990 582 1HMD HEC 71 HM51 HEC 71 3.007 -1.227 4.307 583 2HMD HEC 71 HM52 HEC 71 3.192 -2.694 3.367 584 3HMD HEC 71 HM53 HEC 71 1.574 -2.010 3.660 585 1HAD HEC 71 HP61 HEC 71 4.878 -1.868 5.360 586 2HAD HEC 71 HP62 HEC 71 4.167 -0.993 6.712 587 1HBD HEC 71 HP63 HEC 71 6.588 -1.555 6.823 588 2HBD HEC 71 HP64 HEC 71 5.688 -2.104 8.219 Start of MODEL 20 1 1H ALA 1 1H ALA 1 10.815 -0.072 -9.280 2 2H ALA 1 2H ALA 1 12.162 0.103 -8.325 3 3H ALA 1 3H ALA 1 10.681 -0.148 -7.650 4 HA ALA 1 HA ALA 1 11.167 2.109 -7.316 5 1HB ALA 1 1HB ALA 1 12.869 2.386 -9.057 6 2HB ALA 1 2HB ALA 1 11.652 2.188 -10.334 7 3HB ALA 1 3HB ALA 1 11.592 3.601 -9.260 8 H ASP 2 H ASP 2 9.685 1.186 -10.424 9 HA ASP 2 HA ASP 2 7.078 1.917 -10.150 10 1HB ASP 2 1HB ASP 2 6.907 -0.220 -11.603 11 2HB ASP 2 2HB ASP 2 8.110 0.927 -12.203 12 H VAL 3 H VAL 3 8.871 -0.949 -9.006 13 HA VAL 3 HA VAL 3 6.701 -1.429 -6.991 14 HB VAL 3 HB VAL 3 7.050 -3.215 -8.671 15 1HG1 VAL 3 1HG1 VAL 3 9.490 -2.972 -9.070 16 2HG1 VAL 3 2HG1 VAL 3 9.816 -3.570 -7.428 17 3HG1 VAL 3 3HG1 VAL 3 9.049 -4.622 -8.626 18 1HG2 VAL 3 1HG2 VAL 3 7.161 -5.090 -7.114 19 2HG2 VAL 3 2HG2 VAL 3 7.842 -4.048 -5.853 20 3HG2 VAL 3 3HG2 VAL 3 6.186 -3.777 -6.442 21 H VAL 4 H VAL 4 7.263 -1.771 -4.813 22 HA VAL 4 HA VAL 4 10.122 -1.657 -4.031 23 HB VAL 4 HB VAL 4 7.947 0.151 -2.968 24 1HG1 VAL 4 1HG1 VAL 4 9.691 0.936 -1.301 25 2HG1 VAL 4 2HG1 VAL 4 9.168 -0.710 -0.973 26 3HG1 VAL 4 3HG1 VAL 4 10.716 -0.421 -1.785 27 1HG2 VAL 4 1HG2 VAL 4 9.593 1.935 -3.392 28 2HG2 VAL 4 2HG2 VAL 4 10.689 0.732 -4.109 29 3HG2 VAL 4 3HG2 VAL 4 9.115 1.092 -4.873 30 H THR 5 H THR 5 10.357 -2.497 -1.801 31 HA THR 5 HA THR 5 7.927 -3.580 -0.724 32 HB THR 5 HB THR 5 8.934 -5.601 -1.683 33 HG1 THR 5 HG1 THR 5 8.251 -5.327 0.652 34 1HG2 THR 5 1HG2 THR 5 11.158 -6.421 -1.048 35 2HG2 THR 5 2HG2 THR 5 11.301 -4.875 -1.903 36 3HG2 THR 5 3HG2 THR 5 11.479 -4.939 -0.133 37 H TYR 6 H TYR 6 7.672 -3.426 1.368 38 HA TYR 6 HA TYR 6 9.746 -2.190 3.075 39 1HB TYR 6 1HB TYR 6 7.149 -3.400 4.015 40 2HB TYR 6 2HB TYR 6 8.182 -2.241 4.834 41 HD1 TYR 6 HD1 TYR 6 5.230 -2.651 2.997 42 HD2 TYR 6 HD2 TYR 6 8.551 0.053 3.378 43 HE1 TYR 6 HE1 TYR 6 3.895 -0.885 1.929 44 HE2 TYR 6 HE2 TYR 6 7.254 1.783 2.197 45 HH TYR 6 HH TYR 6 5.335 1.977 0.757 46 H GLU 7 H GLU 7 11.441 -3.651 3.335 47 HA GLU 7 HA GLU 7 10.994 -6.477 3.632 48 1HB GLU 7 1HB GLU 7 13.344 -6.564 4.255 49 2HB GLU 7 2HB GLU 7 12.962 -5.958 2.641 50 1HG GLU 7 1HG GLU 7 13.427 -3.633 3.330 51 2HG GLU 7 2HG GLU 7 13.705 -4.165 5.002 52 H ASN 8 H ASN 8 9.414 -6.264 5.158 53 HA ASN 8 HA ASN 8 9.926 -5.567 7.959 54 1HB ASN 8 1HB ASN 8 7.669 -7.401 7.161 55 2HB ASN 8 2HB ASN 8 7.721 -6.193 8.442 56 1HD2 ASN 8 1HD2 ASN 8 6.350 -6.867 5.540 57 2HD2 ASN 8 2HD2 ASN 8 6.001 -5.203 5.059 58 H LYS 9 H LYS 9 9.381 -7.330 9.740 59 HA LYS 9 HA LYS 9 11.315 -9.503 9.106 60 1HB LYS 9 1HB LYS 9 10.212 -8.655 11.801 61 2HB LYS 9 2HB LYS 9 11.554 -9.763 11.477 62 1HG LYS 9 1HG LYS 9 11.472 -6.764 10.942 63 2HG LYS 9 2HG LYS 9 12.390 -7.612 12.192 64 1HD LYS 9 1HD LYS 9 13.721 -8.772 10.367 65 2HD LYS 9 2HD LYS 9 12.803 -7.865 9.162 66 1HE LYS 9 1HE LYS 9 14.905 -6.780 9.414 67 2HE LYS 9 2HE LYS 9 13.627 -5.724 10.020 68 1HZ LYS 9 1HZ LYS 9 14.242 -6.376 12.254 69 2HZ LYS 9 2HZ LYS 9 15.414 -7.385 11.683 70 3HZ LYS 9 3HZ LYS 9 15.541 -5.761 11.459 71 H LYS 10 H LYS 10 7.925 -8.965 10.142 72 HA LYS 10 HA LYS 10 7.399 -11.818 10.346 73 1HB LYS 10 1HB LYS 10 5.231 -11.419 10.646 74 2HB LYS 10 2HB LYS 10 5.970 -9.954 11.248 75 1HG LYS 10 1HG LYS 10 4.471 -8.865 9.990 76 2HG LYS 10 2HG LYS 10 5.373 -9.288 8.563 77 1HD LYS 10 1HD LYS 10 3.034 -10.771 9.891 78 2HD LYS 10 2HD LYS 10 2.947 -9.730 8.461 79 1HE LYS 10 1HE LYS 10 4.634 -11.351 7.395 80 2HE LYS 10 2HE LYS 10 4.250 -12.472 8.704 81 1HZ LYS 10 1HZ LYS 10 2.313 -11.261 6.833 82 2HZ LYS 10 2HZ LYS 10 2.927 -12.791 6.700 83 3HZ LYS 10 3HZ LYS 10 1.959 -12.396 7.975 84 H GLY 11 H GLY 11 7.540 -9.679 7.518 85 1HA GLY 11 1HA GLY 11 7.918 -11.714 5.664 86 2HA GLY 11 2HA GLY 11 6.160 -11.432 5.787 87 H ASN 12 H ASN 12 8.640 -10.587 3.924 88 HA ASN 12 HA ASN 12 8.721 -7.735 3.937 89 1HB ASN 12 1HB ASN 12 9.263 -9.683 1.666 90 2HB ASN 12 2HB ASN 12 9.675 -7.972 1.657 91 1HD2 ASN 12 1HD2 ASN 12 10.385 -8.838 4.886 92 2HD2 ASN 12 2HD2 ASN 12 12.039 -9.262 4.573 93 H VAL 13 H VAL 13 7.273 -6.261 3.137 94 HA VAL 13 HA VAL 13 4.847 -7.328 1.757 95 HB VAL 13 HB VAL 13 5.361 -4.795 3.282 96 1HG1 VAL 13 1HG1 VAL 13 4.140 -3.922 1.430 97 2HG1 VAL 13 2HG1 VAL 13 3.216 -5.422 1.235 98 3HG1 VAL 13 3HG1 VAL 13 2.878 -4.347 2.596 99 1HG2 VAL 13 1HG2 VAL 13 3.623 -5.599 4.690 100 2HG2 VAL 13 2HG2 VAL 13 3.074 -6.791 3.486 101 3HG2 VAL 13 3HG2 VAL 13 4.625 -7.009 4.310 102 H THR 14 H THR 14 4.856 -7.221 -0.389 103 HA THR 14 HA THR 14 6.555 -5.186 -1.745 104 HB THR 14 HB THR 14 4.980 -7.521 -2.872 105 HG1 THR 14 HG1 THR 14 7.113 -8.367 -3.062 106 1HG2 THR 14 1HG2 THR 14 6.373 -7.099 -4.907 107 2HG2 THR 14 2HG2 THR 14 5.304 -5.732 -4.567 108 3HG2 THR 14 3HG2 THR 14 7.028 -5.638 -4.140 109 H PHE 15 H PHE 15 5.681 -3.493 -2.902 110 HA PHE 15 HA PHE 15 2.763 -3.438 -3.368 111 1HB PHE 15 1HB PHE 15 2.654 -1.059 -2.775 112 2HB PHE 15 2HB PHE 15 2.971 -2.077 -1.383 113 HD1 PHE 15 HD1 PHE 15 5.387 -2.328 -0.538 114 HD2 PHE 15 HD2 PHE 15 4.044 0.838 -3.159 115 HE1 PHE 15 HE1 PHE 15 7.221 -0.879 0.257 116 HE2 PHE 15 HE2 PHE 15 5.840 2.318 -2.260 117 HZ PHE 15 HZ PHE 15 7.392 1.455 -0.547 118 H ASP 16 H ASP 16 2.362 -2.846 -5.412 119 HA ASP 16 HA ASP 16 4.524 -1.793 -7.103 120 1HB ASP 16 1HB ASP 16 2.796 -3.379 -8.009 121 2HB ASP 16 2HB ASP 16 1.610 -2.080 -7.829 122 H HIS 17 H HIS 17 4.385 0.274 -7.830 123 HA HIS 17 HA HIS 17 3.296 2.295 -5.892 124 1HB HIS 17 1HB HIS 17 5.822 1.654 -5.783 125 2HB HIS 17 2HB HIS 17 5.975 2.356 -7.377 126 HD1 HIS 17 HND HIS 17 7.675 4.078 -6.639 127 HD2 HIS 17 HD HIS 17 3.896 4.299 -4.816 128 HE1 HIS 17 HE HIS 17 7.500 6.412 -5.566 129 H LYS 18 H LYS 18 4.801 1.765 -9.032 130 HA LYS 18 HA LYS 18 3.778 3.955 -10.521 131 1HB LYS 18 1HB LYS 18 5.646 3.074 -11.360 132 2HB LYS 18 2HB LYS 18 5.221 1.400 -10.946 133 1HG LYS 18 1HG LYS 18 3.847 2.768 -13.241 134 2HG LYS 18 2HG LYS 18 5.454 2.057 -13.324 135 1HD LYS 18 1HD LYS 18 4.870 -0.007 -13.422 136 2HD LYS 18 2HD LYS 18 3.872 0.117 -11.995 137 1HE LYS 18 1HE LYS 18 2.146 1.390 -13.469 138 2HE LYS 18 2HE LYS 18 3.022 0.801 -14.878 139 1HZ LYS 18 1HZ LYS 18 2.401 -1.407 -14.240 140 2HZ LYS 18 2HZ LYS 18 1.829 -0.894 -12.774 141 3HZ LYS 18 3HZ LYS 18 1.072 -0.405 -14.161 142 H ALA 19 H ALA 19 2.686 0.567 -10.372 143 HA ALA 19 HA ALA 19 0.308 0.769 -11.935 144 1HB ALA 19 1HB ALA 19 -0.677 -0.959 -10.485 145 2HB ALA 19 2HB ALA 19 0.976 -1.379 -10.960 146 3HB ALA 19 3HB ALA 19 0.640 -0.712 -9.330 147 H HIS 20 H HIS 20 0.508 1.213 -8.341 148 HA HIS 20 HA HIS 20 -2.203 2.077 -8.162 149 1HB HIS 20 1HB HIS 20 0.157 2.507 -6.291 150 2HB HIS 20 2HB HIS 20 -1.524 2.942 -5.929 151 HD1 HIS 20 HND HIS 20 -1.560 -0.294 -7.799 152 HD2 HIS 20 HD HIS 20 -1.540 1.168 -3.865 153 HE1 HIS 20 HE HIS 20 -2.174 -2.172 -6.360 154 H ALA 21 H ALA 21 0.803 3.738 -8.902 155 HA ALA 21 HA ALA 21 -0.191 6.416 -8.687 156 1HB ALA 21 1HB ALA 21 1.984 5.359 -10.517 157 2HB ALA 21 2HB ALA 21 1.644 7.035 -10.175 158 3HB ALA 21 3HB ALA 21 2.202 5.952 -8.865 159 H GLU 22 H GLU 22 -0.014 4.244 -11.565 160 HA GLU 22 HA GLU 22 -1.152 6.244 -13.302 161 1HB GLU 22 1HB GLU 22 -0.898 4.660 -15.061 162 2HB GLU 22 2HB GLU 22 0.511 4.495 -14.011 163 1HG GLU 22 1HG GLU 22 -0.654 2.533 -12.936 164 2HG GLU 22 2HG GLU 22 -1.898 2.628 -14.196 165 H LYS 23 H LYS 23 -2.355 3.261 -11.784 166 HA LYS 23 HA LYS 23 -4.856 3.116 -13.051 167 1HB LYS 23 1HB LYS 23 -3.952 2.223 -10.276 168 2HB LYS 23 2HB LYS 23 -5.448 1.687 -11.033 169 1HG LYS 23 1HG LYS 23 -2.729 1.284 -12.375 170 2HG LYS 23 2HG LYS 23 -3.323 0.173 -11.153 171 1HD LYS 23 1HD LYS 23 -4.993 0.934 -13.565 172 2HD LYS 23 2HD LYS 23 -3.707 -0.287 -13.682 173 1HE LYS 23 1HE LYS 23 -4.723 -1.608 -11.857 174 2HE LYS 23 2HE LYS 23 -6.019 -0.417 -11.669 175 1HZ LYS 23 1HZ LYS 23 -6.700 -2.302 -12.917 176 2HZ LYS 23 2HZ LYS 23 -6.747 -0.964 -13.879 177 3HZ LYS 23 3HZ LYS 23 -5.527 -2.068 -14.049 178 H LEU 24 H LEU 24 -3.959 4.620 -9.928 179 HA LEU 24 HA LEU 24 -6.655 5.748 -9.596 180 1HB LEU 24 1HB LEU 24 -4.072 6.086 -8.029 181 2HB LEU 24 2HB LEU 24 -5.612 6.812 -7.619 182 HG LEU 24 HG LEU 24 -4.957 4.779 -6.342 183 1HD1 LEU 24 1HD1 LEU 24 -7.279 3.855 -6.305 184 2HD1 LEU 24 2HD1 LEU 24 -7.241 5.631 -6.324 185 3HD1 LEU 24 3HD1 LEU 24 -7.632 4.723 -7.804 186 1HD2 LEU 24 1HD2 LEU 24 -4.121 3.316 -8.091 187 2HD2 LEU 24 2HD2 LEU 24 -5.336 2.568 -7.069 188 3HD2 LEU 24 3HD2 LEU 24 -5.787 3.096 -8.699 189 H GLY 25 H GLY 25 -3.307 6.983 -10.241 190 1HA GLY 25 1HA GLY 25 -2.935 8.941 -11.533 191 2HA GLY 25 2HA GLY 25 -4.481 9.626 -11.034 192 H CYS 26 H CYS 26 -1.967 8.061 -9.064 193 HA CYS 26 HA CYS 26 -0.508 8.756 -7.500 194 1HB CYS 26 1HB CYS 26 -0.191 10.523 -9.477 195 2HB CYS 26 2HB CYS 26 -0.758 11.644 -8.243 196 H ASP 27 H ASP 27 -3.260 10.913 -7.610 197 HA ASP 27 HA ASP 27 -3.294 12.408 -5.329 198 1HB ASP 27 1HB ASP 27 -5.700 12.429 -5.675 199 2HB ASP 27 2HB ASP 27 -4.881 12.532 -7.238 200 H ALA 28 H ALA 28 -4.394 9.163 -5.872 201 HA ALA 28 HA ALA 28 -5.500 8.142 -3.717 202 1HB ALA 28 1HB ALA 28 -3.060 7.030 -5.161 203 2HB ALA 28 2HB ALA 28 -4.113 6.049 -4.110 204 3HB ALA 28 3HB ALA 28 -4.772 6.829 -5.569 205 H CYS 29 H CYS 29 -2.015 8.813 -3.842 206 HA CYS 29 HA CYS 29 -1.841 8.557 -0.847 207 1HB CYS 29 1HB CYS 29 0.232 7.731 -2.823 208 2HB CYS 29 2HB CYS 29 0.252 7.451 -1.073 209 H HIS 30 H HIS 30 -0.796 10.348 -3.787 210 HA HIS 30 HA HIS 30 0.463 12.344 -1.964 211 1HB HIS 30 1HB HIS 30 1.623 11.519 -4.627 212 2HB HIS 30 2HB HIS 30 2.282 12.666 -3.475 213 HD1 HIS 30 HND HIS 30 3.698 11.563 -1.475 214 HD2 HIS 30 HD HIS 30 2.275 9.116 -4.511 215 HE1 HIS 30 HE HIS 30 5.352 9.504 -1.696 216 H GLU 31 H GLU 31 -0.414 14.259 -2.351 217 HA GLU 31 HA GLU 31 -2.336 14.600 -4.501 218 1HB GLU 31 1HB GLU 31 -1.299 16.834 -2.681 219 2HB GLU 31 2HB GLU 31 -2.851 16.670 -3.516 220 1HG GLU 31 1HG GLU 31 -3.051 14.479 -2.140 221 2HG GLU 31 2HG GLU 31 -1.825 15.176 -1.074 222 H GLY 32 H GLY 32 0.670 16.179 -3.610 223 1HA GLY 32 1HA GLY 32 1.458 16.812 -6.358 224 2HA GLY 32 2HA GLY 32 0.980 18.198 -5.350 225 H THR 33 H THR 33 3.584 16.914 -6.399 226 HA THR 33 HA THR 33 5.797 16.903 -5.841 227 HB THR 33 HB THR 33 5.030 18.677 -3.503 228 HG1 THR 33 HG1 THR 33 5.389 19.297 -6.254 229 1HG2 THR 33 1HG2 THR 33 7.433 18.033 -3.618 230 2HG2 THR 33 2HG2 THR 33 7.498 18.546 -5.316 231 3HG2 THR 33 3HG2 THR 33 7.205 19.738 -4.033 232 HA PRO 34 HA PRO 34 5.220 13.635 -2.547 233 1HB PRO 34 1HB PRO 34 6.103 11.496 -3.920 234 2HB PRO 34 2HB PRO 34 4.440 12.106 -4.104 235 1HG PRO 34 1HG PRO 34 6.742 12.731 -5.926 236 2HG PRO 34 2HG PRO 34 5.090 12.149 -6.336 237 1HD PRO 34 1HD PRO 34 5.741 14.775 -6.448 238 2HD PRO 34 2HD PRO 34 4.130 14.251 -5.873 239 H ALA 35 H ALA 35 7.013 12.141 -1.809 240 HA ALA 35 HA ALA 35 9.762 13.042 -2.316 241 1HB ALA 35 1HB ALA 35 8.847 14.899 -0.978 242 2HB ALA 35 2HB ALA 35 8.321 13.752 0.274 243 3HB ALA 35 3HB ALA 35 10.055 13.984 -0.053 244 H LYS 36 H LYS 36 7.482 11.128 -0.400 245 HA LYS 36 HA LYS 36 8.371 8.707 -0.219 246 1HB LYS 36 1HB LYS 36 9.695 8.447 1.796 247 2HB LYS 36 2HB LYS 36 10.601 9.237 0.546 248 1HG LYS 36 1HG LYS 36 11.156 10.760 2.103 249 2HG LYS 36 2HG LYS 36 9.583 11.461 1.819 250 1HD LYS 36 1HD LYS 36 9.812 11.272 4.168 251 2HD LYS 36 2HD LYS 36 8.617 10.083 3.657 252 1HE LYS 36 1HE LYS 36 10.535 8.325 3.731 253 2HE LYS 36 2HE LYS 36 11.542 9.590 4.427 254 1HZ LYS 36 1HZ LYS 36 10.510 8.153 6.069 255 2HZ LYS 36 2HZ LYS 36 9.939 9.691 6.254 256 3HZ LYS 36 3HZ LYS 36 9.011 8.546 5.511 257 H ILE 37 H ILE 37 7.432 7.563 1.717 258 HA ILE 37 HA ILE 37 5.683 9.303 3.405 259 HB ILE 37 HB ILE 37 4.834 6.619 2.253 260 1HG1 ILE 37 1HG1 ILE 37 4.794 8.233 0.535 261 2HG1 ILE 37 2HG1 ILE 37 3.257 7.516 0.985 262 1HG2 ILE 37 1HG2 ILE 37 3.364 8.638 4.034 263 2HG2 ILE 37 2HG2 ILE 37 2.598 7.239 3.255 264 3HG2 ILE 37 3HG2 ILE 37 3.802 7.002 4.513 265 1HD1 ILE 37 1HD1 ILE 37 2.522 9.567 2.107 266 2HD1 ILE 37 2HD1 ILE 37 4.108 10.325 1.846 267 3HD1 ILE 37 3HD1 ILE 37 3.048 9.955 0.473 268 H ALA 38 H ALA 38 5.478 5.946 3.904 269 HA ALA 38 HA ALA 38 7.802 5.317 5.367 270 1HB ALA 38 1HB ALA 38 7.201 7.066 7.002 271 2HB ALA 38 2HB ALA 38 5.522 6.487 7.041 272 3HB ALA 38 3HB ALA 38 6.831 5.491 7.707 273 H ILE 39 H ILE 39 4.232 5.073 5.460 274 HA ILE 39 HA ILE 39 2.845 3.401 6.116 275 HB ILE 39 HB ILE 39 4.604 2.062 4.082 276 1HG1 ILE 39 1HG1 ILE 39 3.771 4.198 3.308 277 2HG1 ILE 39 2HG1 ILE 39 2.904 2.880 2.540 278 1HG2 ILE 39 1HG2 ILE 39 2.537 0.739 3.534 279 2HG2 ILE 39 2HG2 ILE 39 3.277 0.339 5.074 280 3HG2 ILE 39 3HG2 ILE 39 1.806 1.328 5.043 281 1HD1 ILE 39 1HD1 ILE 39 1.281 4.533 3.015 282 2HD1 ILE 39 2HD1 ILE 39 1.037 3.264 4.229 283 3HD1 ILE 39 3HD1 ILE 39 1.863 4.774 4.666 284 H ASP 40 H ASP 40 2.988 3.021 8.063 285 HA ASP 40 HA ASP 40 4.804 0.965 9.247 286 1HB ASP 40 1HB ASP 40 3.671 1.872 11.430 287 2HB ASP 40 2HB ASP 40 4.946 2.765 10.644 288 H LYS 41 H LYS 41 3.905 -0.706 10.444 289 HA LYS 41 HA LYS 41 1.827 -2.176 9.787 290 1HB LYS 41 1HB LYS 41 1.666 -2.933 12.138 291 2HB LYS 41 2HB LYS 41 3.220 -2.973 11.358 292 1HG LYS 41 1HG LYS 41 3.724 -0.713 12.602 293 2HG LYS 41 2HG LYS 41 2.271 -1.106 13.543 294 1HD LYS 41 1HD LYS 41 4.060 -1.971 14.778 295 2HD LYS 41 2HD LYS 41 3.366 -3.388 13.976 296 1HE LYS 41 1HE LYS 41 5.189 -3.050 12.149 297 2HE LYS 41 2HE LYS 41 5.908 -1.834 13.184 298 1HZ LYS 41 1HZ LYS 41 5.436 -4.613 14.045 299 2HZ LYS 41 2HZ LYS 41 6.739 -4.220 13.215 300 3HZ LYS 41 3HZ LYS 41 6.493 -3.523 14.704 301 H LYS 42 H LYS 42 1.491 0.517 12.046 302 HA LYS 42 HA LYS 42 -1.323 0.273 12.492 303 1HB LYS 42 1HB LYS 42 0.460 2.751 12.536 304 2HB LYS 42 2HB LYS 42 -1.246 2.729 12.960 305 1HG LYS 42 1HG LYS 42 -0.312 0.645 14.526 306 2HG LYS 42 2HG LYS 42 1.129 1.657 14.417 307 1HD LYS 42 1HD LYS 42 -0.018 2.364 16.366 308 2HD LYS 42 2HD LYS 42 -0.310 3.627 15.157 309 1HE LYS 42 1HE LYS 42 -2.580 2.608 14.692 310 2HE LYS 42 2HE LYS 42 -2.233 1.332 15.863 311 1HZ LYS 42 1HZ LYS 42 -2.461 4.204 16.485 312 2HZ LYS 42 2HZ LYS 42 -3.601 3.057 16.773 313 3HZ LYS 42 3HZ LYS 42 -2.169 3.005 17.576 314 H SER 43 H SER 43 0.238 2.693 10.257 315 HA SER 43 HA SER 43 -2.232 3.445 9.111 316 1HB SER 43 1HB SER 43 0.552 3.693 7.969 317 2HB SER 43 2HB SER 43 -0.886 4.625 7.491 318 HG SER 43 HG SER 43 0.598 4.614 9.890 319 H ALA 44 H ALA 44 0.204 1.164 7.918 320 HA ALA 44 HA ALA 44 -0.903 0.222 5.570 321 1HB ALA 44 1HB ALA 44 0.186 -1.866 6.140 322 2HB ALA 44 2HB ALA 44 1.243 -0.482 6.593 323 3HB ALA 44 3HB ALA 44 0.367 -1.386 7.836 324 H HIS 45 H HIS 45 -1.620 -1.052 8.893 325 HA HIS 45 HA HIS 45 -3.890 -2.588 7.809 326 1HB HIS 45 1HB HIS 45 -2.503 -2.510 10.495 327 2HB HIS 45 2HB HIS 45 -3.985 -3.371 10.205 328 HD1 HIS 45 HND HIS 45 -3.142 -5.622 10.749 329 HD2 HIS 45 HD HIS 45 -0.927 -3.750 7.697 330 HE1 HIS 45 HE HIS 45 -1.622 -7.377 9.779 331 H LYS 46 H LYS 46 -3.799 0.562 8.281 332 HA LYS 46 HA LYS 46 -6.390 0.827 9.801 333 1HB LYS 46 1HB LYS 46 -4.666 1.548 11.222 334 2HB LYS 46 2HB LYS 46 -3.897 2.427 9.910 335 1HG LYS 46 1HG LYS 46 -6.583 3.447 10.268 336 2HG LYS 46 2HG LYS 46 -5.717 3.470 11.807 337 1HD LYS 46 1HD LYS 46 -4.515 4.430 9.212 338 2HD LYS 46 2HD LYS 46 -5.471 5.496 10.231 339 1HE LYS 46 1HE LYS 46 -3.875 5.443 12.002 340 2HE LYS 46 2HE LYS 46 -3.028 4.029 11.370 341 1HZ LYS 46 1HZ LYS 46 -3.019 6.499 9.801 342 2HZ LYS 46 2HZ LYS 46 -2.019 6.347 11.092 343 3HZ LYS 46 3HZ LYS 46 -1.860 5.318 9.865 344 H ASP 47 H ASP 47 -4.309 2.853 7.758 345 HA ASP 47 HA ASP 47 -6.353 3.225 5.770 346 1HB ASP 47 1HB ASP 47 -5.762 5.510 7.683 347 2HB ASP 47 2HB ASP 47 -6.400 5.715 6.057 348 H ALA 48 H ALA 48 -4.484 2.149 4.905 349 HA ALA 48 HA ALA 48 -3.310 4.115 3.161 350 1HB ALA 48 1HB ALA 48 -1.475 4.133 4.767 351 2HB ALA 48 2HB ALA 48 -1.400 2.361 4.786 352 3HB ALA 48 3HB ALA 48 -0.996 3.253 3.301 353 H CYS 49 H CYS 49 -2.677 0.692 4.118 354 HA CYS 49 HA CYS 49 -3.253 -0.109 1.344 355 1HB CYS 49 1HB CYS 49 -2.260 -1.881 3.515 356 2HB CYS 49 2HB CYS 49 -2.096 -2.096 1.784 357 H LYS 50 H LYS 50 -4.109 -1.282 4.668 358 HA LYS 50 HA LYS 50 -6.265 -2.898 3.595 359 1HB LYS 50 1HB LYS 50 -4.644 -3.426 5.494 360 2HB LYS 50 2HB LYS 50 -5.625 -2.329 6.486 361 1HG LYS 50 1HG LYS 50 -7.625 -3.763 5.957 362 2HG LYS 50 2HG LYS 50 -6.567 -4.904 5.127 363 1HD LYS 50 1HD LYS 50 -6.400 -4.010 8.050 364 2HD LYS 50 2HD LYS 50 -7.138 -5.517 7.524 365 1HE LYS 50 1HE LYS 50 -4.165 -4.793 7.231 366 2HE LYS 50 2HE LYS 50 -4.869 -5.803 8.496 367 1HZ LYS 50 1HZ LYS 50 -3.894 -7.092 6.779 368 2HZ LYS 50 2HZ LYS 50 -5.521 -7.368 6.812 369 3HZ LYS 50 3HZ LYS 50 -4.859 -6.423 5.630 370 H THR 51 H THR 51 -7.004 -0.654 2.738 371 HA THR 51 HA THR 51 -9.440 0.154 4.159 372 HB THR 51 HB THR 51 -7.626 1.599 5.083 373 HG1 THR 51 HG1 THR 51 -8.956 3.288 5.196 374 1HG2 THR 51 1HG2 THR 51 -6.292 2.002 2.993 375 2HG2 THR 51 2HG2 THR 51 -7.664 2.908 2.305 376 3HG2 THR 51 3HG2 THR 51 -6.838 3.535 3.703 377 H CYS 52 H CYS 52 -7.241 0.750 1.359 378 HA CYS 52 HA CYS 52 -9.392 1.332 -0.489 379 1HB CYS 52 1HB CYS 52 -6.447 0.715 -0.617 380 2HB CYS 52 2HB CYS 52 -7.440 0.541 -2.062 381 H HIS 53 H HIS 53 -7.178 -1.512 -0.240 382 HA HIS 53 HA HIS 53 -8.567 -3.060 -2.062 383 1HB HIS 53 1HB HIS 53 -7.314 -4.426 0.311 384 2HB HIS 53 2HB HIS 53 -7.430 -4.973 -1.347 385 HD1 HIS 53 HND HIS 53 -5.454 -2.596 0.885 386 HD2 HIS 53 HD HIS 53 -5.644 -3.609 -3.184 387 HE1 HIS 53 HE HIS 53 -3.438 -1.662 -0.212 388 H LYS 54 H LYS 54 -9.280 -2.438 1.313 389 HA LYS 54 HA LYS 54 -11.167 -4.391 1.918 390 1HB LYS 54 1HB LYS 54 -10.849 -1.511 2.757 391 2HB LYS 54 2HB LYS 54 -12.191 -2.456 3.352 392 1HG LYS 54 1HG LYS 54 -9.292 -3.199 3.720 393 2HG LYS 54 2HG LYS 54 -10.345 -2.409 4.893 394 1HD LYS 54 1HD LYS 54 -10.570 -5.209 3.796 395 2HD LYS 54 2HD LYS 54 -10.278 -4.666 5.444 396 1HE LYS 54 1HE LYS 54 -12.490 -5.335 5.603 397 2HE LYS 54 2HE LYS 54 -12.671 -3.605 5.340 398 1HZ LYS 54 1HZ LYS 54 -14.188 -4.928 4.019 399 2HZ LYS 54 2HZ LYS 54 -13.211 -4.152 2.972 400 3HZ LYS 54 3HZ LYS 54 -12.967 -5.732 3.289 401 H SER 55 H SER 55 -11.583 -1.667 -0.305 402 HA SER 55 HA SER 55 -14.495 -2.334 -0.537 403 1HB SER 55 1HB SER 55 -12.976 0.175 -1.339 404 2HB SER 55 2HB SER 55 -14.723 -0.096 -1.494 405 HG SER 55 HG SER 55 -14.758 -0.380 0.817 406 H ASN 56 H ASN 56 -11.867 -3.516 -1.787 407 HA ASN 56 HA ASN 56 -12.876 -3.588 -4.611 408 1HB ASN 56 1HB ASN 56 -10.020 -3.641 -3.570 409 2HB ASN 56 2HB ASN 56 -10.493 -4.106 -5.196 410 1HD2 ASN 56 1HD2 ASN 56 -10.071 -1.232 -3.037 411 2HD2 ASN 56 2HD2 ASN 56 -10.298 -0.121 -4.365 412 H ASN 57 H ASN 57 -11.495 -5.448 -1.836 413 HA ASN 57 HA ASN 57 -12.564 -7.941 -2.835 414 1HB ASN 57 1HB ASN 57 -10.271 -9.008 -2.912 415 2HB ASN 57 2HB ASN 57 -10.612 -7.892 -4.229 416 1HD2 ASN 57 1HD2 ASN 57 -8.903 -6.590 -4.727 417 2HD2 ASN 57 2HD2 ASN 57 -7.680 -6.066 -3.593 418 H GLY 58 H GLY 58 -11.755 -9.742 -1.305 419 1HA GLY 58 1HA GLY 58 -12.031 -8.811 1.478 420 2HA GLY 58 2HA GLY 58 -12.033 -10.485 0.897 421 HA PRO 59 HA PRO 59 -7.768 -8.814 2.291 422 1HB PRO 59 1HB PRO 59 -7.519 -9.512 4.929 423 2HB PRO 59 2HB PRO 59 -8.476 -8.111 4.386 424 1HG PRO 59 1HG PRO 59 -9.511 -10.910 4.953 425 2HG PRO 59 2HG PRO 59 -10.089 -9.375 5.672 426 1HD PRO 59 1HD PRO 59 -11.325 -10.443 3.507 427 2HD PRO 59 2HD PRO 59 -11.051 -8.678 3.610 428 H THR 60 H THR 60 -8.513 -11.366 1.009 429 HA THR 60 HA THR 60 -7.640 -13.344 0.407 430 HB THR 60 HB THR 60 -5.139 -12.916 -0.133 431 HG1 THR 60 HG1 THR 60 -4.859 -11.356 1.516 432 1HG2 THR 60 1HG2 THR 60 -7.011 -12.522 -1.719 433 2HG2 THR 60 2HG2 THR 60 -7.251 -10.903 -1.024 434 3HG2 THR 60 3HG2 THR 60 -5.741 -11.295 -1.862 435 H LYS 61 H LYS 61 -7.583 -13.062 3.490 436 HA LYS 61 HA LYS 61 -7.048 -14.359 5.253 437 1HB LYS 61 1HB LYS 61 -5.895 -16.487 3.444 438 2HB LYS 61 2HB LYS 61 -6.564 -16.652 5.059 439 1HG LYS 61 1HG LYS 61 -8.530 -17.212 4.163 440 2HG LYS 61 2HG LYS 61 -8.703 -15.570 3.506 441 1HD LYS 61 1HD LYS 61 -7.534 -16.242 1.446 442 2HD LYS 61 2HD LYS 61 -7.131 -17.806 2.140 443 1HE LYS 61 1HE LYS 61 -8.930 -18.137 0.582 444 2HE LYS 61 2HE LYS 61 -9.500 -18.475 2.220 445 1HZ LYS 61 1HZ LYS 61 -11.077 -17.195 0.960 446 2HZ LYS 61 2HZ LYS 61 -10.537 -16.302 2.230 447 3HZ LYS 61 3HZ LYS 61 -9.989 -15.990 0.705 448 H CYS 62 H CYS 62 -5.492 -12.381 4.360 449 HA CYS 62 HA CYS 62 -3.582 -11.291 4.792 450 1HB CYS 62 1HB CYS 62 -2.100 -13.843 5.468 451 2HB CYS 62 2HB CYS 62 -1.562 -12.178 5.703 452 H GLY 63 H GLY 63 -0.941 -12.617 3.810 453 1HA GLY 63 1HA GLY 63 -0.018 -13.522 1.914 454 2HA GLY 63 2HA GLY 63 -1.636 -13.861 1.294 455 H GLY 64 H GLY 64 -2.772 -11.431 1.065 456 1HA GLY 64 1HA GLY 64 -2.435 -10.419 -1.321 457 2HA GLY 64 2HA GLY 64 -2.806 -9.371 0.066 458 H CYS 65 H CYS 65 -0.583 -9.109 1.407 459 HA CYS 65 HA CYS 65 1.060 -7.438 -0.438 460 1HB CYS 65 1HB CYS 65 0.485 -7.064 2.478 461 2HB CYS 65 2HB CYS 65 1.072 -5.844 1.337 462 H HIS 66 H HIS 66 1.286 -9.311 2.594 463 HA HIS 66 HA HIS 66 4.189 -9.240 2.729 464 1HB HIS 66 1HB HIS 66 2.192 -11.102 4.044 465 2HB HIS 66 2HB HIS 66 3.922 -11.012 4.385 466 HD1 HIS 66 HND HIS 66 4.779 -8.754 5.708 467 HD2 HIS 66 HD HIS 66 0.615 -9.175 5.217 468 HE1 HIS 66 HE HIS 66 3.617 -7.086 7.286 469 H ILE 67 H ILE 67 5.472 -10.391 1.319 470 HA ILE 67 HA ILE 67 4.273 -12.582 -0.291 471 HB ILE 67 HB ILE 67 7.044 -11.343 -0.409 472 1HG1 ILE 67 1HG1 ILE 67 5.410 -9.627 -0.934 473 2HG1 ILE 67 2HG1 ILE 67 6.235 -10.157 -2.395 474 1HG2 ILE 67 1HG2 ILE 67 6.984 -12.308 -2.772 475 2HG2 ILE 67 2HG2 ILE 67 7.171 -13.491 -1.489 476 3HG2 ILE 67 3HG2 ILE 67 5.592 -13.280 -2.259 477 1HD1 ILE 67 1HD1 ILE 67 4.256 -11.554 -3.010 478 2HD1 ILE 67 2HD1 ILE 67 3.405 -10.939 -1.571 479 3HD1 ILE 67 3HD1 ILE 67 3.880 -9.833 -2.860 480 H LYS 68 H LYS 68 3.930 -13.512 1.937 481 HA LYS 68 HA LYS 68 4.390 -14.719 3.740 482 1HB LYS 68 1HB LYS 68 4.531 -16.465 2.022 483 2HB LYS 68 2HB LYS 68 6.255 -16.150 1.835 484 1HG LYS 68 1HG LYS 68 5.699 -16.629 4.645 485 2HG LYS 68 2HG LYS 68 4.888 -17.904 3.727 486 1HD LYS 68 1HD LYS 68 7.741 -16.998 3.250 487 2HD LYS 68 2HD LYS 68 7.351 -18.287 4.407 488 1HE LYS 68 1HE LYS 68 6.392 -19.694 2.651 489 2HE LYS 68 2HE LYS 68 6.505 -18.395 1.458 490 1HZ LYS 68 1HZ LYS 68 8.804 -19.719 2.720 491 2HZ LYS 68 2HZ LYS 68 8.262 -19.962 1.184 492 3HZ LYS 68 3HZ LYS 68 8.877 -18.498 1.615 493 HHA HEC 69 HCM HEC 69 8.534 6.987 -1.466 494 HHB HEC 69 HDM HEC 69 6.951 10.393 -6.570 495 HHC HEC 69 HAM HEC 69 1.405 7.138 -6.887 496 HHD HEC 69 HBM HEC 69 2.573 4.977 -0.964 497 1HMA HEC 69 HM81 HEC 69 9.045 11.494 -5.146 498 2HMA HEC 69 HM82 HEC 69 10.396 10.346 -5.057 499 3HMA HEC 69 HM83 HEC 69 9.279 10.258 -6.413 500 1HAA HEC 69 HP71 HEC 69 10.701 9.692 -2.971 501 2HAA HEC 69 HP72 HEC 69 10.117 8.578 -1.766 502 1HBA HEC 69 HP73 HEC 69 10.709 6.668 -3.154 503 2HBA HEC 69 HP74 HEC 69 11.178 7.751 -4.476 504 1HMB HEC 69 HM11 HEC 69 6.081 10.908 -8.425 505 2HMB HEC 69 HM12 HEC 69 5.087 10.095 -9.615 506 3HMB HEC 69 HM13 HEC 69 4.409 11.430 -8.644 507 HAB HEC 69 HT2A HEC 69 1.457 8.478 -8.519 508 1HBB HEC 69 HT21 HEC 69 2.840 10.639 -10.093 509 2HBB HEC 69 HT22 HEC 69 3.166 8.913 -10.396 510 3HBB HEC 69 HT23 HEC 69 1.535 9.562 -10.571 511 1HMC HEC 69 HM31 HEC 69 -0.676 6.722 -5.692 512 2HMC HEC 69 HM32 HEC 69 -0.144 5.147 -6.313 513 3HMC HEC 69 HM33 HEC 69 -1.151 5.244 -4.871 514 HAC HEC 69 HT4A HEC 69 0.548 4.703 -1.372 515 1HBC HEC 69 HT41 HEC 69 -0.876 3.415 -3.707 516 2HBC HEC 69 HT42 HEC 69 0.527 2.727 -2.873 517 3HBC HEC 69 HT43 HEC 69 -0.989 2.995 -1.994 518 1HMD HEC 69 HM51 HEC 69 4.096 3.576 0.212 519 2HMD HEC 69 HM52 HEC 69 5.221 4.174 1.461 520 3HMD HEC 69 HM53 HEC 69 3.657 4.987 1.178 521 1HAD HEC 69 HP61 HEC 69 8.355 6.138 0.449 522 2HAD HEC 69 HP62 HEC 69 7.104 5.617 1.557 523 1HBD HEC 69 HP63 HEC 69 8.718 3.885 1.342 524 2HBD HEC 69 HP64 HEC 69 7.209 3.359 0.587 525 HHA HEC 70 HCM HEC 70 -3.800 -4.921 -6.376 526 HHB HEC 70 HDM HEC 70 0.329 -4.229 -1.535 527 HHC HEC 70 HAM HEC 70 -2.189 1.473 -0.236 528 HHD HEC 70 HBM HEC 70 -6.573 0.538 -4.751 529 1HMA HEC 70 HM81 HEC 70 0.328 -6.390 -2.237 530 2HMA HEC 70 HM82 HEC 70 0.053 -7.318 -3.703 531 3HMA HEC 70 HM83 HEC 70 1.194 -5.949 -3.725 532 1HAA HEC 70 HP71 HEC 70 -2.108 -6.373 -6.658 533 2HAA HEC 70 HP72 HEC 70 -0.864 -7.188 -5.748 534 1HBA HEC 70 HP73 HEC 70 -2.544 -8.149 -4.226 535 2HBA HEC 70 HP74 HEC 70 -3.824 -7.280 -5.086 536 1HMB HEC 70 HM11 HEC 70 1.651 -3.265 -0.044 537 2HMB HEC 70 HM12 HEC 70 1.638 -1.937 1.120 538 3HMB HEC 70 HM13 HEC 70 0.446 -3.243 1.249 539 HAB HEC 70 HT2A HEC 70 -0.931 1.066 1.265 540 1HBB HEC 70 HT21 HEC 70 1.970 0.272 1.168 541 2HBB HEC 70 HT22 HEC 70 1.216 1.511 0.156 542 3HBB HEC 70 HT23 HEC 70 1.195 1.685 1.915 543 1HMC HEC 70 HM31 HEC 70 -4.788 3.576 -0.470 544 2HMC HEC 70 HM32 HEC 70 -3.037 3.410 -0.608 545 3HMC HEC 70 HM33 HEC 70 -3.918 4.226 -1.876 546 HAC HEC 70 HT4A HEC 70 -7.170 2.169 -3.640 547 1HBC HEC 70 HT41 HEC 70 -5.685 3.856 -4.550 548 2HBC HEC 70 HT42 HEC 70 -7.237 4.457 -3.926 549 3HBC HEC 70 HT43 HEC 70 -5.756 4.735 -2.991 550 1HMD HEC 70 HM51 HEC 70 -6.795 0.272 -6.942 551 2HMD HEC 70 HM52 HEC 70 -7.142 -1.088 -8.000 552 3HMD HEC 70 HM53 HEC 70 -8.059 -0.898 -6.482 553 1HAD HEC 70 HP61 HEC 70 -5.595 -4.495 -7.831 554 2HAD HEC 70 HP62 HEC 70 -6.367 -3.065 -8.504 555 1HBD HEC 70 HP63 HEC 70 -3.366 -3.554 -8.326 556 2HBD HEC 70 HP64 HEC 70 -4.370 -3.614 -9.775 557 HHA HEC 71 HCM HEC 71 3.627 -4.186 9.235 558 HHB HEC 71 HDM HEC 71 0.851 -9.726 10.910 559 HHC HEC 71 HAM HEC 71 -2.671 -9.512 5.555 560 HHD HEC 71 HBM HEC 71 0.303 -4.206 3.817 561 1HMA HEC 71 HM81 HEC 71 3.201 -9.316 12.120 562 2HMA HEC 71 HM82 HEC 71 3.386 -7.817 13.046 563 3HMA HEC 71 HM83 HEC 71 1.785 -8.549 12.880 564 1HAA HEC 71 HP71 HEC 71 4.731 -4.952 10.897 565 2HAA HEC 71 HP72 HEC 71 4.370 -5.818 12.384 566 1HBA HEC 71 HP73 HEC 71 5.463 -7.795 11.544 567 2HBA HEC 71 HP74 HEC 71 5.661 -7.050 9.925 568 1HMB HEC 71 HM11 HEC 71 -1.431 -11.295 11.013 569 2HMB HEC 71 HM12 HEC 71 -1.501 -12.505 9.713 570 3HMB HEC 71 HM13 HEC 71 0.065 -11.929 10.291 571 HAB HEC 71 HT2A HEC 71 -3.770 -10.618 7.026 572 1HBB HEC 71 HT21 HEC 71 -5.088 -11.385 8.823 573 2HBB HEC 71 HT22 HEC 71 -3.688 -11.532 9.894 574 3HBB HEC 71 HT23 HEC 71 -4.211 -9.929 9.332 575 1HMC HEC 71 HM31 HEC 71 -2.696 -9.261 3.276 576 2HMC HEC 71 HM32 HEC 71 -4.067 -8.235 3.736 577 3HMC HEC 71 HM33 HEC 71 -3.130 -7.893 2.265 578 HAC HEC 71 HT4A HEC 71 -1.291 -4.428 2.516 579 1HBC HEC 71 HT41 HEC 71 -3.389 -4.380 1.389 580 2HBC HEC 71 HT42 HEC 71 -3.955 -5.825 2.225 581 3HBC HEC 71 HT43 HEC 71 -3.627 -4.339 3.147 582 1HMD HEC 71 HM51 HEC 71 1.827 -2.736 3.573 583 2HMD HEC 71 HM52 HEC 71 1.966 -1.470 4.762 584 3HMD HEC 71 HM53 HEC 71 3.403 -2.360 4.281 585 1HAD HEC 71 HP61 HEC 71 3.813 -1.487 6.542 586 2HAD HEC 71 HP62 HEC 71 3.300 -1.868 8.160 587 1HBD HEC 71 HP63 HEC 71 5.257 -3.775 7.762 588 2HBD HEC 71 HP64 HEC 71 5.827 -2.431 6.769 Start of MODEL 21 1 1H ALA 1 1H ALA 1 10.893 1.230 -13.678 2 2H ALA 1 2H ALA 1 11.980 0.006 -13.932 3 3H ALA 1 3H ALA 1 10.386 -0.315 -13.631 4 HA ALA 1 HA ALA 1 11.804 -0.720 -11.683 5 1HB ALA 1 1HB ALA 1 13.462 1.050 -12.075 6 2HB ALA 1 2HB ALA 1 12.220 2.298 -11.826 7 3HB ALA 1 3HB ALA 1 12.701 1.240 -10.485 8 H ASP 2 H ASP 2 9.401 -1.133 -12.108 9 HA ASP 2 HA ASP 2 7.532 0.825 -11.586 10 1HB ASP 2 1HB ASP 2 7.406 -2.203 -12.064 11 2HB ASP 2 2HB ASP 2 6.086 -1.089 -12.330 12 H VAL 3 H VAL 3 8.719 -1.848 -9.673 13 HA VAL 3 HA VAL 3 6.592 -1.493 -7.653 14 HB VAL 3 HB VAL 3 6.271 -3.563 -8.886 15 1HG1 VAL 3 1HG1 VAL 3 8.435 -3.867 -9.960 16 2HG1 VAL 3 2HG1 VAL 3 9.212 -4.180 -8.389 17 3HG1 VAL 3 3HG1 VAL 3 8.026 -5.319 -9.052 18 1HG2 VAL 3 1HG2 VAL 3 7.678 -4.365 -6.302 19 2HG2 VAL 3 2HG2 VAL 3 5.990 -3.830 -6.434 20 3HG2 VAL 3 3HG2 VAL 3 6.501 -5.313 -7.228 21 H VAL 4 H VAL 4 7.057 -1.794 -5.463 22 HA VAL 4 HA VAL 4 9.940 -1.677 -4.695 23 HB VAL 4 HB VAL 4 7.643 0.075 -3.772 24 1HG1 VAL 4 1HG1 VAL 4 10.442 -0.206 -2.568 25 2HG1 VAL 4 2HG1 VAL 4 9.299 1.093 -2.181 26 3HG1 VAL 4 3HG1 VAL 4 8.913 -0.565 -1.751 27 1HG2 VAL 4 1HG2 VAL 4 8.784 0.895 -5.781 28 2HG2 VAL 4 2HG2 VAL 4 9.209 1.902 -4.380 29 3HG2 VAL 4 3HG2 VAL 4 10.361 0.696 -4.982 30 H THR 5 H THR 5 10.218 -2.367 -2.438 31 HA THR 5 HA THR 5 7.800 -3.274 -1.209 32 HB THR 5 HB THR 5 8.852 -5.450 -1.866 33 HG1 THR 5 HG1 THR 5 7.893 -5.009 0.194 34 1HG2 THR 5 1HG2 THR 5 11.035 -6.149 -0.959 35 2HG2 THR 5 2HG2 THR 5 11.228 -4.764 -2.048 36 3HG2 THR 5 3HG2 THR 5 11.307 -4.535 -0.289 37 H TYR 6 H TYR 6 7.703 -3.039 0.912 38 HA TYR 6 HA TYR 6 9.302 -1.007 2.171 39 1HB TYR 6 1HB TYR 6 7.364 -3.031 3.326 40 2HB TYR 6 2HB TYR 6 7.985 -1.640 4.187 41 HD1 TYR 6 HD1 TYR 6 5.050 -2.647 3.006 42 HD2 TYR 6 HD2 TYR 6 7.771 0.609 2.281 43 HE1 TYR 6 HE1 TYR 6 3.371 -1.544 1.551 44 HE2 TYR 6 HE2 TYR 6 6.073 1.645 0.847 45 HH TYR 6 HH TYR 6 4.126 0.814 -0.540 46 H GLU 7 H GLU 7 9.501 -4.452 1.801 47 HA GLU 7 HA GLU 7 10.295 -6.131 2.821 48 1HB GLU 7 1HB GLU 7 12.541 -6.414 3.259 49 2HB GLU 7 2HB GLU 7 12.447 -5.239 1.952 50 1HG GLU 7 1HG GLU 7 13.080 -3.441 3.459 51 2HG GLU 7 2HG GLU 7 12.918 -4.495 4.875 52 H ASN 8 H ASN 8 10.741 -7.309 4.819 53 HA ASN 8 HA ASN 8 10.215 -5.966 7.367 54 1HB ASN 8 1HB ASN 8 8.113 -7.694 5.997 55 2HB ASN 8 2HB ASN 8 8.098 -7.336 7.729 56 1HD2 ASN 8 1HD2 ASN 8 6.643 -6.447 4.927 57 2HD2 ASN 8 2HD2 ASN 8 6.274 -4.774 5.352 58 H LYS 9 H LYS 9 10.443 -7.326 9.097 59 HA LYS 9 HA LYS 9 11.662 -9.933 8.801 60 1HB LYS 9 1HB LYS 9 11.600 -10.003 11.182 61 2HB LYS 9 2HB LYS 9 12.058 -8.372 10.698 62 1HG LYS 9 1HG LYS 9 9.556 -7.727 11.075 63 2HG LYS 9 2HG LYS 9 9.376 -9.338 11.779 64 1HD LYS 9 1HD LYS 9 9.675 -7.836 13.544 65 2HD LYS 9 2HD LYS 9 11.175 -8.771 13.441 66 1HE LYS 9 1HE LYS 9 12.434 -6.897 12.945 67 2HE LYS 9 2HE LYS 9 11.228 -6.285 11.802 68 1HZ LYS 9 1HZ LYS 9 9.916 -5.508 13.573 69 2HZ LYS 9 2HZ LYS 9 11.005 -5.983 14.712 70 3HZ LYS 9 3HZ LYS 9 11.395 -4.801 13.618 71 H LYS 10 H LYS 10 8.402 -8.672 9.356 72 HA LYS 10 HA LYS 10 7.035 -11.056 9.995 73 1HB LYS 10 1HB LYS 10 6.053 -8.879 10.372 74 2HB LYS 10 2HB LYS 10 6.211 -8.432 8.683 75 1HG LYS 10 1HG LYS 10 3.890 -8.897 9.317 76 2HG LYS 10 2HG LYS 10 4.460 -9.850 7.969 77 1HD LYS 10 1HD LYS 10 3.076 -11.192 9.443 78 2HD LYS 10 2HD LYS 10 4.711 -11.844 9.368 79 1HE LYS 10 1HE LYS 10 5.207 -10.627 11.571 80 2HE LYS 10 2HE LYS 10 3.484 -10.209 11.631 81 1HZ LYS 10 1HZ LYS 10 4.613 -12.930 11.591 82 2HZ LYS 10 2HZ LYS 10 3.999 -12.162 12.907 83 3HZ LYS 10 3HZ LYS 10 3.006 -12.569 11.661 84 H GLY 11 H GLY 11 7.464 -9.432 6.856 85 1HA GLY 11 1HA GLY 11 7.701 -11.588 5.131 86 2HA GLY 11 2HA GLY 11 5.949 -11.350 5.344 87 H ASN 12 H ASN 12 8.324 -10.521 3.279 88 HA ASN 12 HA ASN 12 8.285 -7.664 3.196 89 1HB ASN 12 1HB ASN 12 8.869 -9.762 1.057 90 2HB ASN 12 2HB ASN 12 8.911 -8.037 0.729 91 1HD2 ASN 12 1HD2 ASN 12 10.071 -9.192 3.928 92 2HD2 ASN 12 2HD2 ASN 12 11.748 -8.879 3.532 93 H VAL 13 H VAL 13 7.026 -6.237 2.169 94 HA VAL 13 HA VAL 13 4.402 -7.161 1.074 95 HB VAL 13 HB VAL 13 5.410 -4.590 2.313 96 1HG1 VAL 13 1HG1 VAL 13 2.950 -5.167 0.628 97 2HG1 VAL 13 2HG1 VAL 13 2.862 -3.954 1.905 98 3HG1 VAL 13 3HG1 VAL 13 4.029 -3.751 0.596 99 1HG2 VAL 13 1HG2 VAL 13 3.692 -4.952 3.979 100 2HG2 VAL 13 2HG2 VAL 13 3.103 -6.401 3.131 101 3HG2 VAL 13 3HG2 VAL 13 4.716 -6.387 3.875 102 H THR 14 H THR 14 4.811 -7.467 -1.105 103 HA THR 14 HA THR 14 6.492 -5.520 -2.572 104 HB THR 14 HB THR 14 6.592 -7.866 -3.242 105 HG1 THR 14 HG1 THR 14 6.875 -6.169 -4.757 106 1HG2 THR 14 1HG2 THR 14 4.238 -8.581 -2.770 107 2HG2 THR 14 2HG2 THR 14 3.693 -7.598 -4.147 108 3HG2 THR 14 3HG2 THR 14 4.777 -8.971 -4.411 109 H PHE 15 H PHE 15 5.599 -3.691 -3.513 110 HA PHE 15 HA PHE 15 2.692 -3.663 -4.016 111 1HB PHE 15 1HB PHE 15 2.316 -1.544 -3.007 112 2HB PHE 15 2HB PHE 15 3.025 -2.586 -1.789 113 HD1 PHE 15 HD1 PHE 15 5.463 -2.326 -1.193 114 HD2 PHE 15 HD2 PHE 15 3.363 0.516 -3.675 115 HE1 PHE 15 HE1 PHE 15 7.070 -0.555 -0.548 116 HE2 PHE 15 HE2 PHE 15 4.986 2.281 -3.027 117 HZ PHE 15 HZ PHE 15 6.796 1.736 -1.385 118 H ASP 16 H ASP 16 2.441 -3.117 -6.089 119 HA ASP 16 HA ASP 16 4.669 -2.138 -7.621 120 1HB ASP 16 1HB ASP 16 2.954 -3.638 -8.508 121 2HB ASP 16 2HB ASP 16 1.797 -2.316 -8.452 122 H HIS 17 H HIS 17 4.744 0.017 -8.592 123 HA HIS 17 HA HIS 17 3.641 2.140 -6.768 124 1HB HIS 17 1HB HIS 17 6.317 1.509 -7.257 125 2HB HIS 17 2HB HIS 17 6.048 2.765 -8.440 126 HD1 HIS 17 HND HIS 17 7.566 2.707 -5.386 127 HD2 HIS 17 HD HIS 17 4.273 4.848 -6.885 128 HE1 HIS 17 HE HIS 17 7.365 4.812 -3.985 129 H LYS 18 H LYS 18 5.023 1.576 -9.924 130 HA LYS 18 HA LYS 18 3.871 3.517 -11.579 131 1HB LYS 18 1HB LYS 18 5.684 2.259 -12.290 132 2HB LYS 18 2HB LYS 18 4.970 0.722 -11.820 133 1HG LYS 18 1HG LYS 18 3.792 2.268 -14.147 134 2HG LYS 18 2HG LYS 18 5.282 1.306 -14.248 135 1HD LYS 18 1HD LYS 18 4.190 -0.702 -13.423 136 2HD LYS 18 2HD LYS 18 2.618 0.146 -13.508 137 1HE LYS 18 1HE LYS 18 3.228 0.663 -15.966 138 2HE LYS 18 2HE LYS 18 4.451 -0.618 -15.778 139 1HZ LYS 18 1HZ LYS 18 2.368 -1.475 -16.613 140 2HZ LYS 18 2HZ LYS 18 2.575 -2.053 -15.072 141 3HZ LYS 18 3HZ LYS 18 1.536 -0.808 -15.374 142 H ALA 19 H ALA 19 2.767 0.175 -11.004 143 HA ALA 19 HA ALA 19 0.357 0.266 -12.437 144 1HB ALA 19 1HB ALA 19 1.228 -1.783 -11.422 145 2HB ALA 19 2HB ALA 19 0.793 -1.091 -9.818 146 3HB ALA 19 3HB ALA 19 -0.476 -1.500 -10.986 147 H HIS 20 H HIS 20 0.695 0.883 -8.880 148 HA HIS 20 HA HIS 20 -2.043 1.600 -8.465 149 1HB HIS 20 1HB HIS 20 0.522 2.249 -6.971 150 2HB HIS 20 2HB HIS 20 -1.029 2.922 -6.496 151 HD1 HIS 20 HND HIS 20 0.834 -0.391 -6.426 152 HD2 HIS 20 HD HIS 20 -2.775 1.359 -5.214 153 HE1 HIS 20 HE HIS 20 -0.264 -2.019 -4.800 154 H ALA 21 H ALA 21 0.800 3.391 -9.554 155 HA ALA 21 HA ALA 21 -0.412 6.005 -9.467 156 1HB ALA 21 1HB ALA 21 1.874 5.066 -11.243 157 2HB ALA 21 2HB ALA 21 1.411 6.732 -10.883 158 3HB ALA 21 3HB ALA 21 2.019 5.670 -9.591 159 H GLU 22 H GLU 22 -0.078 3.733 -12.212 160 HA GLU 22 HA GLU 22 -1.436 5.529 -14.036 161 1HB GLU 22 1HB GLU 22 -1.242 3.835 -15.715 162 2HB GLU 22 2HB GLU 22 0.266 3.919 -14.802 163 1HG GLU 22 1HG GLU 22 -0.573 1.947 -13.459 164 2HG GLU 22 2HG GLU 22 -1.892 1.775 -14.629 165 H LYS 23 H LYS 23 -2.430 2.638 -12.217 166 HA LYS 23 HA LYS 23 -5.097 2.442 -13.138 167 1HB LYS 23 1HB LYS 23 -3.835 1.786 -10.440 168 2HB LYS 23 2HB LYS 23 -5.418 1.212 -10.949 169 1HG LYS 23 1HG LYS 23 -2.931 0.638 -12.629 170 2HG LYS 23 2HG LYS 23 -3.293 -0.334 -11.215 171 1HD LYS 23 1HD LYS 23 -5.255 0.185 -13.471 172 2HD LYS 23 2HD LYS 23 -4.064 -1.134 -13.492 173 1HE LYS 23 1HE LYS 23 -5.027 -1.808 -11.161 174 2HE LYS 23 2HE LYS 23 -6.421 -0.792 -11.559 175 1HZ LYS 23 1HZ LYS 23 -6.848 -2.264 -13.410 176 2HZ LYS 23 2HZ LYS 23 -5.455 -3.118 -13.096 177 3HZ LYS 23 3HZ LYS 23 -6.652 -3.131 -12.013 178 H LEU 24 H LEU 24 -3.710 4.191 -10.344 179 HA LEU 24 HA LEU 24 -6.390 5.273 -9.683 180 1HB LEU 24 1HB LEU 24 -3.827 5.540 -8.096 181 2HB LEU 24 2HB LEU 24 -5.480 5.813 -7.567 182 HG LEU 24 HG LEU 24 -4.473 3.061 -8.456 183 1HD1 LEU 24 1HD1 LEU 24 -3.168 3.654 -6.589 184 2HD1 LEU 24 2HD1 LEU 24 -4.524 4.373 -5.735 185 3HD1 LEU 24 3HD1 LEU 24 -4.471 2.614 -5.989 186 1HD2 LEU 24 1HD2 LEU 24 -7.024 4.053 -7.144 187 2HD2 LEU 24 2HD2 LEU 24 -6.841 3.186 -8.679 188 3HD2 LEU 24 3HD2 LEU 24 -6.508 2.354 -7.154 189 H GLY 25 H GLY 25 -3.009 6.623 -10.133 190 1HA GLY 25 1HA GLY 25 -3.302 8.696 -11.621 191 2HA GLY 25 2HA GLY 25 -4.096 9.366 -10.178 192 H CYS 26 H CYS 26 -2.940 9.475 -8.242 193 HA CYS 26 HA CYS 26 -0.269 8.719 -7.688 194 1HB CYS 26 1HB CYS 26 0.070 10.531 -9.673 195 2HB CYS 26 2HB CYS 26 -0.292 11.670 -8.406 196 H ASP 27 H ASP 27 -2.497 11.251 -7.626 197 HA ASP 27 HA ASP 27 -2.501 12.674 -5.217 198 1HB ASP 27 1HB ASP 27 -4.926 12.850 -5.796 199 2HB ASP 27 2HB ASP 27 -3.887 13.180 -7.184 200 H ALA 28 H ALA 28 -3.928 9.627 -6.151 201 HA ALA 28 HA ALA 28 -5.420 8.740 -4.105 202 1HB ALA 28 1HB ALA 28 -4.739 6.465 -4.769 203 2HB ALA 28 2HB ALA 28 -4.938 7.528 -6.182 204 3HB ALA 28 3HB ALA 28 -3.309 7.121 -5.598 205 H CYS 29 H CYS 29 -1.878 8.842 -4.056 206 HA CYS 29 HA CYS 29 -1.928 8.150 -1.125 207 1HB CYS 29 1HB CYS 29 0.270 7.563 -3.101 208 2HB CYS 29 2HB CYS 29 0.235 7.141 -1.379 209 H HIS 30 H HIS 30 -0.319 10.020 -3.756 210 HA HIS 30 HA HIS 30 1.295 11.416 -1.690 211 1HB HIS 30 1HB HIS 30 1.462 11.237 -4.704 212 2HB HIS 30 2HB HIS 30 2.465 12.308 -3.736 213 HD1 HIS 30 HND HIS 30 3.912 10.989 -1.724 214 HD2 HIS 30 HD HIS 30 2.529 8.887 -5.048 215 HE1 HIS 30 HE HIS 30 5.473 8.904 -2.040 216 H GLU 31 H GLU 31 -0.775 12.425 -0.952 217 HA GLU 31 HA GLU 31 -1.692 14.740 -2.481 218 1HB GLU 31 1HB GLU 31 -1.857 14.628 0.575 219 2HB GLU 31 2HB GLU 31 -2.904 15.397 -0.611 220 1HG GLU 31 1HG GLU 31 -3.456 13.048 -1.404 221 2HG GLU 31 2HG GLU 31 -2.638 12.433 0.039 222 H GLY 32 H GLY 32 0.139 14.450 0.495 223 1HA GLY 32 1HA GLY 32 1.087 17.182 0.410 224 2HA GLY 32 2HA GLY 32 1.439 15.976 1.652 225 H THR 33 H THR 33 2.191 16.128 -1.844 226 HA THR 33 HA THR 33 4.081 16.179 -3.022 227 HB THR 33 HB THR 33 5.642 16.827 -0.485 228 HG1 THR 33 HG1 THR 33 3.896 18.252 -0.848 229 1HG2 THR 33 1HG2 THR 33 7.151 17.991 -2.000 230 2HG2 THR 33 2HG2 THR 33 7.087 16.272 -2.414 231 3HG2 THR 33 3HG2 THR 33 6.207 17.467 -3.404 232 HA PRO 34 HA PRO 34 5.578 11.960 -2.223 233 1HB PRO 34 1HB PRO 34 6.728 11.347 -4.567 234 2HB PRO 34 2HB PRO 34 4.972 11.614 -4.478 235 1HG PRO 34 1HG PRO 34 7.070 13.633 -5.259 236 2HG PRO 34 2HG PRO 34 5.574 13.191 -6.142 237 1HD PRO 34 1HD PRO 34 5.687 15.364 -4.504 238 2HD PRO 34 2HD PRO 34 4.211 14.359 -4.614 239 H ALA 35 H ALA 35 6.949 13.770 -0.808 240 HA ALA 35 HA ALA 35 9.846 13.410 -1.403 241 1HB ALA 35 1HB ALA 35 9.061 15.574 -0.560 242 2HB ALA 35 2HB ALA 35 8.373 14.786 0.878 243 3HB ALA 35 3HB ALA 35 10.135 14.779 0.613 244 H LYS 36 H LYS 36 8.801 11.031 -1.417 245 HA LYS 36 HA LYS 36 8.548 8.982 -0.489 246 1HB LYS 36 1HB LYS 36 10.654 10.165 1.237 247 2HB LYS 36 2HB LYS 36 9.564 9.171 2.185 248 1HG LYS 36 1HG LYS 36 9.920 7.390 0.303 249 2HG LYS 36 2HG LYS 36 11.250 8.442 -0.219 250 1HD LYS 36 1HD LYS 36 11.987 6.563 1.079 251 2HD LYS 36 2HD LYS 36 12.414 8.088 1.876 252 1HE LYS 36 1HE LYS 36 11.022 7.698 3.691 253 2HE LYS 36 2HE LYS 36 9.769 6.942 2.697 254 1HZ LYS 36 1HZ LYS 36 12.203 5.426 3.239 255 2HZ LYS 36 2HZ LYS 36 10.885 5.450 4.257 256 3HZ LYS 36 3HZ LYS 36 10.672 4.965 2.752 257 H ILE 37 H ILE 37 7.436 7.715 1.148 258 HA ILE 37 HA ILE 37 5.788 9.386 3.009 259 HB ILE 37 HB ILE 37 5.035 6.603 2.038 260 1HG1 ILE 37 1HG1 ILE 37 4.952 8.065 0.150 261 2HG1 ILE 37 2HG1 ILE 37 3.468 7.323 0.663 262 1HG2 ILE 37 1HG2 ILE 37 3.969 7.199 4.249 263 2HG2 ILE 37 2HG2 ILE 37 3.516 8.765 3.603 264 3HG2 ILE 37 3HG2 ILE 37 2.776 7.285 2.962 265 1HD1 ILE 37 1HD1 ILE 37 3.055 9.649 -0.041 266 2HD1 ILE 37 2HD1 ILE 37 2.675 9.475 1.658 267 3HD1 ILE 37 3HD1 ILE 37 4.204 10.246 1.174 268 H ALA 38 H ALA 38 5.559 6.298 3.866 269 HA ALA 38 HA ALA 38 7.739 5.071 4.870 270 1HB ALA 38 1HB ALA 38 7.779 5.984 7.272 271 2HB ALA 38 2HB ALA 38 8.558 7.040 6.082 272 3HB ALA 38 3HB ALA 38 6.896 7.395 6.641 273 H ILE 39 H ILE 39 5.735 3.840 4.159 274 HA ILE 39 HA ILE 39 3.396 3.952 5.911 275 HB ILE 39 HB ILE 39 4.270 2.141 3.652 276 1HG1 ILE 39 1HG1 ILE 39 3.565 4.499 3.128 277 2HG1 ILE 39 2HG1 ILE 39 2.608 3.220 2.387 278 1HG2 ILE 39 1HG2 ILE 39 2.977 0.767 5.157 279 2HG2 ILE 39 2HG2 ILE 39 1.690 1.972 5.256 280 3HG2 ILE 39 3HG2 ILE 39 2.031 1.129 3.720 281 1HD1 ILE 39 1HD1 ILE 39 1.765 4.920 4.773 282 2HD1 ILE 39 2HD1 ILE 39 1.187 5.052 3.109 283 3HD1 ILE 39 3HD1 ILE 39 0.805 3.608 4.050 284 H ASP 40 H ASP 40 3.324 3.103 7.811 285 HA ASP 40 HA ASP 40 5.063 0.802 8.540 286 1HB ASP 40 1HB ASP 40 5.057 1.406 10.742 287 2HB ASP 40 2HB ASP 40 5.262 2.934 9.938 288 H LYS 41 H LYS 41 4.038 -0.530 10.112 289 HA LYS 41 HA LYS 41 1.762 -1.890 9.525 290 1HB LYS 41 1HB LYS 41 1.751 -2.584 11.913 291 2HB LYS 41 2HB LYS 41 3.297 -2.656 11.092 292 1HG LYS 41 1HG LYS 41 3.824 -0.363 12.237 293 2HG LYS 41 2HG LYS 41 2.461 -0.770 13.301 294 1HD LYS 41 1HD LYS 41 3.580 -3.016 13.689 295 2HD LYS 41 2HD LYS 41 4.924 -2.435 12.663 296 1HE LYS 41 1HE LYS 41 5.450 -0.665 14.236 297 2HE LYS 41 2HE LYS 41 4.148 -1.202 15.324 298 1HZ LYS 41 1HZ LYS 41 6.407 -2.104 15.858 299 2HZ LYS 41 2HZ LYS 41 5.290 -3.287 15.580 300 3HZ LYS 41 3HZ LYS 41 6.369 -2.955 14.443 301 H LYS 42 H LYS 42 1.829 0.936 11.751 302 HA LYS 42 HA LYS 42 -0.991 0.938 12.321 303 1HB LYS 42 1HB LYS 42 0.906 3.313 12.144 304 2HB LYS 42 2HB LYS 42 -0.716 3.338 12.817 305 1HG LYS 42 1HG LYS 42 -0.111 1.927 14.630 306 2HG LYS 42 2HG LYS 42 1.474 1.548 13.918 307 1HD LYS 42 1HD LYS 42 2.451 3.455 14.626 308 2HD LYS 42 2HD LYS 42 1.108 4.448 14.108 309 1HE LYS 42 1HE LYS 42 1.388 4.722 16.488 310 2HE LYS 42 2HE LYS 42 -0.173 3.969 16.136 311 1HZ LYS 42 1HZ LYS 42 2.253 2.553 17.036 312 2HZ LYS 42 2HZ LYS 42 0.947 2.912 17.970 313 3HZ LYS 42 3HZ LYS 42 0.798 1.847 16.726 314 H SER 43 H SER 43 0.841 3.063 10.009 315 HA SER 43 HA SER 43 -1.385 4.247 8.844 316 1HB SER 43 1HB SER 43 1.211 3.494 7.423 317 2HB SER 43 2HB SER 43 0.086 4.792 6.989 318 HG SER 43 HG SER 43 1.740 4.546 9.303 319 H ALA 44 H ALA 44 0.397 1.479 7.607 320 HA ALA 44 HA ALA 44 -0.901 0.672 5.352 321 1HB ALA 44 1HB ALA 44 0.026 -1.527 5.877 322 2HB ALA 44 2HB ALA 44 1.193 -0.220 6.260 323 3HB ALA 44 3HB ALA 44 0.322 -1.038 7.554 324 H HIS 45 H HIS 45 -1.514 -0.665 8.630 325 HA HIS 45 HA HIS 45 -3.803 -2.166 7.653 326 1HB HIS 45 1HB HIS 45 -2.955 -1.778 10.515 327 2HB HIS 45 2HB HIS 45 -3.919 -3.089 9.843 328 HD1 HIS 45 HND HIS 45 -1.091 -3.132 11.521 329 HD2 HIS 45 HD HIS 45 -1.787 -4.017 7.473 330 HE1 HIS 45 HE HIS 45 0.708 -4.777 10.822 331 H LYS 46 H LYS 46 -3.347 1.035 9.028 332 HA LYS 46 HA LYS 46 -5.967 1.118 10.347 333 1HB LYS 46 1HB LYS 46 -4.030 2.165 11.330 334 2HB LYS 46 2HB LYS 46 -3.789 3.209 9.924 335 1HG LYS 46 1HG LYS 46 -6.193 3.311 11.799 336 2HG LYS 46 2HG LYS 46 -4.718 4.278 11.951 337 1HD LYS 46 1HD LYS 46 -5.218 4.957 9.438 338 2HD LYS 46 2HD LYS 46 -6.840 4.361 9.828 339 1HE LYS 46 1HE LYS 46 -6.980 6.656 10.152 340 2HE LYS 46 2HE LYS 46 -6.816 6.019 11.794 341 1HZ LYS 46 1HZ LYS 46 -4.443 6.585 11.642 342 2HZ LYS 46 2HZ LYS 46 -4.664 7.169 10.119 343 3HZ LYS 46 3HZ LYS 46 -5.383 7.914 11.393 344 H ASP 47 H ASP 47 -4.422 3.204 7.879 345 HA ASP 47 HA ASP 47 -6.602 3.042 6.005 346 1HB ASP 47 1HB ASP 47 -6.248 5.638 7.588 347 2HB ASP 47 2HB ASP 47 -6.931 5.552 5.981 348 H ALA 48 H ALA 48 -4.640 2.175 5.112 349 HA ALA 48 HA ALA 48 -3.770 4.269 3.315 350 1HB ALA 48 1HB ALA 48 -1.397 3.604 3.251 351 2HB ALA 48 2HB ALA 48 -1.847 4.344 4.801 352 3HB ALA 48 3HB ALA 48 -1.638 2.590 4.688 353 H CYS 49 H CYS 49 -2.924 0.854 4.092 354 HA CYS 49 HA CYS 49 -3.586 0.110 1.323 355 1HB CYS 49 1HB CYS 49 -2.596 -1.669 3.475 356 2HB CYS 49 2HB CYS 49 -2.392 -1.858 1.733 357 H LYS 50 H LYS 50 -4.491 -0.866 4.697 358 HA LYS 50 HA LYS 50 -6.481 -2.727 3.701 359 1HB LYS 50 1HB LYS 50 -5.064 -2.942 5.790 360 2HB LYS 50 2HB LYS 50 -6.071 -1.696 6.511 361 1HG LYS 50 1HG LYS 50 -8.007 -3.535 5.674 362 2HG LYS 50 2HG LYS 50 -6.611 -4.572 5.868 363 1HD LYS 50 1HD LYS 50 -7.566 -4.704 7.947 364 2HD LYS 50 2HD LYS 50 -6.351 -3.469 8.233 365 1HE LYS 50 1HE LYS 50 -9.355 -3.049 7.726 366 2HE LYS 50 2HE LYS 50 -8.534 -2.937 9.289 367 1HZ LYS 50 1HZ LYS 50 -8.181 -1.109 7.008 368 2HZ LYS 50 2HZ LYS 50 -8.906 -0.749 8.424 369 3HZ LYS 50 3HZ LYS 50 -7.294 -1.038 8.389 370 H THR 51 H THR 51 -7.227 -0.341 2.600 371 HA THR 51 HA THR 51 -9.860 0.242 3.805 372 HB THR 51 HB THR 51 -7.664 2.343 3.607 373 HG1 THR 51 HG1 THR 51 -8.747 2.545 5.818 374 1HG2 THR 51 1HG2 THR 51 -10.654 2.770 4.059 375 2HG2 THR 51 2HG2 THR 51 -9.383 3.993 4.254 376 3HG2 THR 51 3HG2 THR 51 -9.726 3.349 2.653 377 H CYS 52 H CYS 52 -7.488 1.020 1.186 378 HA CYS 52 HA CYS 52 -9.541 1.669 -0.700 379 1HB CYS 52 1HB CYS 52 -6.648 0.837 -0.809 380 2HB CYS 52 2HB CYS 52 -7.643 0.723 -2.259 381 H HIS 53 H HIS 53 -7.666 -1.363 -0.310 382 HA HIS 53 HA HIS 53 -9.028 -2.581 -2.388 383 1HB HIS 53 1HB HIS 53 -7.634 -4.229 -0.287 384 2HB HIS 53 2HB HIS 53 -7.724 -4.520 -2.007 385 HD1 HIS 53 HND HIS 53 -5.856 -2.345 0.572 386 HD2 HIS 53 HD HIS 53 -5.841 -3.131 -3.592 387 HE1 HIS 53 HE HIS 53 -3.761 -1.417 -0.372 388 H LYS 54 H LYS 54 -10.837 -1.874 0.011 389 HA LYS 54 HA LYS 54 -11.814 -3.667 1.674 390 1HB LYS 54 1HB LYS 54 -13.336 -1.827 -0.173 391 2HB LYS 54 2HB LYS 54 -14.138 -2.709 1.132 392 1HG LYS 54 1HG LYS 54 -11.619 -1.254 1.831 393 2HG LYS 54 2HG LYS 54 -12.980 -0.236 1.428 394 1HD LYS 54 1HD LYS 54 -12.975 -2.470 3.526 395 2HD LYS 54 2HD LYS 54 -12.591 -0.792 3.894 396 1HE LYS 54 1HE LYS 54 -15.287 -1.817 2.845 397 2HE LYS 54 2HE LYS 54 -14.918 -1.358 4.507 398 1HZ LYS 54 1HZ LYS 54 -16.019 0.405 3.366 399 2HZ LYS 54 2HZ LYS 54 -14.487 0.883 3.725 400 3HZ LYS 54 3HZ LYS 54 -14.880 0.452 2.185 401 H SER 55 H SER 55 -12.910 -3.757 -1.759 402 HA SER 55 HA SER 55 -13.639 -6.632 -1.370 403 1HB SER 55 1HB SER 55 -15.708 -5.240 -1.180 404 2HB SER 55 2HB SER 55 -15.367 -4.562 -2.790 405 HG SER 55 HG SER 55 -15.393 -6.757 -3.552 406 H ASN 56 H ASN 56 -11.264 -5.328 -2.461 407 HA ASN 56 HA ASN 56 -11.552 -5.635 -5.414 408 1HB ASN 56 1HB ASN 56 -9.164 -4.744 -3.757 409 2HB ASN 56 2HB ASN 56 -9.284 -4.771 -5.517 410 1HD2 ASN 56 1HD2 ASN 56 -8.787 -2.513 -5.604 411 2HD2 ASN 56 2HD2 ASN 56 -9.981 -1.317 -5.120 412 H ASN 57 H ASN 57 -9.656 -6.846 -2.648 413 HA ASN 57 HA ASN 57 -9.019 -9.338 -4.160 414 1HB ASN 57 1HB ASN 57 -7.042 -7.794 -3.941 415 2HB ASN 57 2HB ASN 57 -7.205 -7.899 -2.178 416 1HD2 ASN 57 1HD2 ASN 57 -4.894 -8.744 -2.383 417 2HD2 ASN 57 2HD2 ASN 57 -4.699 -10.445 -2.736 418 H GLY 58 H GLY 58 -8.726 -11.195 -2.756 419 1HA GLY 58 1HA GLY 58 -10.945 -11.425 -0.931 420 2HA GLY 58 2HA GLY 58 -9.793 -12.689 -1.355 421 HA PRO 59 HA PRO 59 -7.734 -12.436 2.532 422 1HB PRO 59 1HB PRO 59 -5.041 -12.045 2.039 423 2HB PRO 59 2HB PRO 59 -5.923 -13.566 1.772 424 1HG PRO 59 1HG PRO 59 -5.314 -11.392 -0.248 425 2HG PRO 59 2HG PRO 59 -5.029 -13.152 -0.415 426 1HD PRO 59 1HD PRO 59 -7.198 -12.050 -1.478 427 2HD PRO 59 2HD PRO 59 -7.389 -13.570 -0.578 428 H THR 60 H THR 60 -8.970 -10.576 2.989 429 HA THR 60 HA THR 60 -7.982 -7.875 2.692 430 HB THR 60 HB THR 60 -10.256 -7.701 4.174 431 HG1 THR 60 HG1 THR 60 -10.679 -10.093 2.720 432 1HG2 THR 60 1HG2 THR 60 -10.191 -8.457 1.233 433 2HG2 THR 60 2HG2 THR 60 -11.553 -7.692 2.075 434 3HG2 THR 60 3HG2 THR 60 -10.022 -6.816 1.887 435 H LYS 61 H LYS 61 -8.457 -10.222 5.302 436 HA LYS 61 HA LYS 61 -7.660 -8.397 7.426 437 1HB LYS 61 1HB LYS 61 -7.875 -11.442 7.382 438 2HB LYS 61 2HB LYS 61 -7.503 -10.445 8.802 439 1HG LYS 61 1HG LYS 61 -9.670 -9.189 8.387 440 2HG LYS 61 2HG LYS 61 -10.060 -10.382 7.135 441 1HD LYS 61 1HD LYS 61 -9.886 -12.198 8.842 442 2HD LYS 61 2HD LYS 61 -9.503 -10.980 10.079 443 1HE LYS 61 1HE LYS 61 -11.718 -9.867 9.627 444 2HE LYS 61 2HE LYS 61 -12.101 -11.146 8.462 445 1HZ LYS 61 1HZ LYS 61 -13.090 -11.563 10.590 446 2HZ LYS 61 2HZ LYS 61 -11.977 -12.730 10.277 447 3HZ LYS 61 3HZ LYS 61 -11.635 -11.528 11.350 448 H CYS 62 H CYS 62 -5.944 -11.407 6.427 449 HA CYS 62 HA CYS 62 -3.471 -9.856 6.122 450 1HB CYS 62 1HB CYS 62 -3.197 -12.571 7.237 451 2HB CYS 62 2HB CYS 62 -2.073 -11.210 7.241 452 H GLY 63 H GLY 63 -1.833 -11.236 4.919 453 1HA GLY 63 1HA GLY 63 -1.353 -12.829 3.264 454 2HA GLY 63 2HA GLY 63 -3.071 -13.110 2.974 455 H GLY 64 H GLY 64 -3.696 -10.210 2.881 456 1HA GLY 64 1HA GLY 64 -3.824 -9.693 0.253 457 2HA GLY 64 2HA GLY 64 -3.762 -8.441 1.504 458 H CYS 65 H CYS 65 -1.053 -8.844 2.291 459 HA CYS 65 HA CYS 65 0.272 -7.401 0.023 460 1HB CYS 65 1HB CYS 65 0.233 -6.614 2.924 461 2HB CYS 65 2HB CYS 65 0.804 -5.643 1.563 462 H HIS 66 H HIS 66 0.854 -8.686 3.346 463 HA HIS 66 HA HIS 66 3.656 -9.105 3.000 464 1HB HIS 66 1HB HIS 66 1.666 -10.577 4.783 465 2HB HIS 66 2HB HIS 66 3.414 -10.686 4.903 466 HD1 HIS 66 HND HIS 66 4.669 -8.187 5.419 467 HD2 HIS 66 HD HIS 66 0.536 -8.600 6.216 468 HE1 HIS 66 HE HIS 66 3.941 -6.260 6.982 469 H ILE 67 H ILE 67 4.541 -10.468 1.481 470 HA ILE 67 HA ILE 67 3.113 -12.898 0.618 471 HB ILE 67 HB ILE 67 5.988 -12.045 0.146 472 1HG1 ILE 67 1HG1 ILE 67 4.533 -10.322 -0.752 473 2HG1 ILE 67 2HG1 ILE 67 5.228 -11.277 -2.059 474 1HG2 ILE 67 1HG2 ILE 67 5.803 -13.622 -1.791 475 2HG2 ILE 67 2HG2 ILE 67 5.688 -14.427 -0.223 476 3HG2 ILE 67 3HG2 ILE 67 4.223 -14.154 -1.177 477 1HD1 ILE 67 1HD1 ILE 67 2.374 -11.472 -0.992 478 2HD1 ILE 67 2HD1 ILE 67 2.900 -10.778 -2.527 479 3HD1 ILE 67 3HD1 ILE 67 3.052 -12.520 -2.263 480 H LYS 68 H LYS 68 2.660 -14.027 2.529 481 HA LYS 68 HA LYS 68 4.848 -15.600 3.611 482 1HB LYS 68 1HB LYS 68 4.737 -13.613 5.112 483 2HB LYS 68 2HB LYS 68 3.007 -13.861 5.347 484 1HG LYS 68 1HG LYS 68 4.616 -16.279 5.957 485 2HG LYS 68 2HG LYS 68 5.139 -14.870 6.876 486 1HD LYS 68 1HD LYS 68 3.546 -16.047 8.199 487 2HD LYS 68 2HD LYS 68 2.805 -14.516 7.685 488 1HE LYS 68 1HE LYS 68 1.509 -15.699 5.942 489 2HE LYS 68 2HE LYS 68 2.352 -17.221 6.316 490 1HZ LYS 68 1HZ LYS 68 1.298 -17.202 8.445 491 2HZ LYS 68 2HZ LYS 68 0.507 -15.792 8.086 492 3HZ LYS 68 3HZ LYS 68 0.205 -17.154 7.218 493 HHA HEC 69 HCM HEC 69 8.618 6.736 -1.731 494 HHB HEC 69 HDM HEC 69 7.172 9.903 -7.002 495 HHC HEC 69 HAM HEC 69 1.539 6.861 -7.328 496 HHD HEC 69 HBM HEC 69 2.603 4.548 -1.494 497 1HMA HEC 69 HM81 HEC 69 9.426 9.815 -6.832 498 2HMA HEC 69 HM82 HEC 69 9.322 10.982 -5.484 499 3HMA HEC 69 HM83 HEC 69 10.600 9.747 -5.527 500 1HAA HEC 69 HP71 HEC 69 10.868 9.245 -3.383 501 2HAA HEC 69 HP72 HEC 69 10.069 8.426 -2.074 502 1HBA HEC 69 HP73 HEC 69 10.532 6.327 -3.837 503 2HBA HEC 69 HP74 HEC 69 11.950 7.354 -4.081 504 1HMB HEC 69 HM11 HEC 69 6.080 10.864 -8.525 505 2HMB HEC 69 HM12 HEC 69 5.452 9.939 -9.899 506 3HMB HEC 69 HM13 HEC 69 4.415 11.077 -8.996 507 HAB HEC 69 HT2A HEC 69 1.565 8.287 -8.861 508 1HBB HEC 69 HT21 HEC 69 1.633 9.333 -10.909 509 2HBB HEC 69 HT22 HEC 69 3.104 10.234 -10.562 510 3HBB HEC 69 HT23 HEC 69 3.176 8.476 -10.809 511 1HMC HEC 69 HM31 HEC 69 -1.050 5.060 -5.337 512 2HMC HEC 69 HM32 HEC 69 -0.582 6.638 -5.964 513 3HMC HEC 69 HM33 HEC 69 -0.090 5.158 -6.823 514 HAC HEC 69 HT4A HEC 69 0.548 4.485 -1.823 515 1HBC HEC 69 HT41 HEC 69 -0.928 3.214 -4.145 516 2HBC HEC 69 HT42 HEC 69 0.465 2.485 -3.328 517 3HBC HEC 69 HT43 HEC 69 -1.029 2.817 -2.435 518 1HMD HEC 69 HM51 HEC 69 4.293 3.272 0.193 519 2HMD HEC 69 HM52 HEC 69 4.997 4.382 1.388 520 3HMD HEC 69 HM53 HEC 69 3.438 4.761 0.658 521 1HAD HEC 69 HP61 HEC 69 8.433 5.636 0.067 522 2HAD HEC 69 HP62 HEC 69 7.183 5.754 1.309 523 1HBD HEC 69 HP63 HEC 69 6.887 3.448 1.349 524 2HBD HEC 69 HP64 HEC 69 7.848 3.197 -0.138 525 HHA HEC 70 HCM HEC 70 -3.603 -4.505 -6.677 526 HHB HEC 70 HDM HEC 70 -0.013 -4.034 -1.356 527 HHC HEC 70 HAM HEC 70 -2.481 1.714 -0.264 528 HHD HEC 70 HBM HEC 70 -6.456 0.978 -5.163 529 1HMA HEC 70 HM81 HEC 70 -0.603 -6.893 -2.470 530 2HMA HEC 70 HM82 HEC 70 0.302 -6.754 -3.994 531 3HMA HEC 70 HM83 HEC 70 0.735 -5.732 -2.631 532 1HAA HEC 70 HP71 HEC 70 -1.508 -7.311 -5.281 533 2HAA HEC 70 HP72 HEC 70 -2.894 -6.588 -6.070 534 1HBA HEC 70 HP73 HEC 70 -1.325 -5.178 -7.439 535 2HBA HEC 70 HP74 HEC 70 0.028 -6.039 -6.693 536 1HMB HEC 70 HM11 HEC 70 0.182 -3.240 1.070 537 2HMB HEC 70 HM12 HEC 70 1.511 -2.751 -0.008 538 3HMB HEC 70 HM13 HEC 70 1.100 -1.762 1.398 539 HAB HEC 70 HT2A HEC 70 -1.278 1.310 1.289 540 1HBB HEC 70 HT21 HEC 70 0.803 1.973 1.963 541 2HBB HEC 70 HT22 HEC 70 1.578 0.460 1.454 542 3HBB HEC 70 HT23 HEC 70 1.003 1.619 0.238 543 1HMC HEC 70 HM31 HEC 70 -4.473 4.518 -1.815 544 2HMC HEC 70 HM32 HEC 70 -4.848 3.577 -0.368 545 3HMC HEC 70 HM33 HEC 70 -3.167 3.764 -0.921 546 HAC HEC 70 HT4A HEC 70 -7.340 2.296 -3.771 547 1HBC HEC 70 HT41 HEC 70 -6.516 4.039 -4.958 548 2HBC HEC 70 HT42 HEC 70 -7.532 4.778 -3.722 549 3HBC HEC 70 HT43 HEC 70 -5.763 4.838 -3.550 550 1HMD HEC 70 HM51 HEC 70 -7.687 0.038 -6.678 551 2HMD HEC 70 HM52 HEC 70 -6.556 0.175 -8.035 552 3HMD HEC 70 HM53 HEC 70 -7.621 -1.240 -7.902 553 1HAD HEC 70 HP61 HEC 70 -5.598 -2.317 -8.994 554 2HAD HEC 70 HP62 HEC 70 -4.640 -3.702 -8.524 555 1HBD HEC 70 HP63 HEC 70 -6.513 -4.995 -8.057 556 2HBD HEC 70 HP64 HEC 70 -7.491 -3.606 -7.570 557 HHA HEC 71 HCM HEC 71 4.407 -3.512 9.150 558 HHB HEC 71 HDM HEC 71 1.451 -8.654 11.500 559 HHC HEC 71 HAM HEC 71 -2.923 -8.053 6.920 560 HHD HEC 71 HBM HEC 71 0.610 -3.711 3.996 561 1HMA HEC 71 HM81 HEC 71 2.793 -7.814 13.075 562 2HMA HEC 71 HM82 HEC 71 4.397 -8.215 12.391 563 3HMA HEC 71 HM83 HEC 71 4.148 -6.714 13.281 564 1HAA HEC 71 HP71 HEC 71 5.387 -3.966 11.005 565 2HAA HEC 71 HP72 HEC 71 4.720 -4.656 12.481 566 1HBA HEC 71 HP73 HEC 71 6.177 -6.740 11.924 567 2HBA HEC 71 HP74 HEC 71 6.984 -5.680 10.771 568 1HMB HEC 71 HM11 HEC 71 -1.566 -10.916 11.107 569 2HMB HEC 71 HM12 HEC 71 0.184 -10.715 11.247 570 3HMB HEC 71 HM13 HEC 71 -0.910 -9.671 12.195 571 HAB HEC 71 HT2A HEC 71 -3.837 -8.912 8.604 572 1HBB HEC 71 HT21 HEC 71 -3.427 -9.474 11.517 573 2HBB HEC 71 HT22 HEC 71 -3.756 -7.889 10.774 574 3HBB HEC 71 HT23 HEC 71 -4.949 -9.194 10.649 575 1HMC HEC 71 HM31 HEC 71 -4.219 -7.009 4.943 576 2HMC HEC 71 HM32 HEC 71 -3.362 -7.152 3.380 577 3HMC HEC 71 HM33 HEC 71 -3.071 -8.332 4.643 578 HAC HEC 71 HT4A HEC 71 -1.295 -3.797 3.029 579 1HBC HEC 71 HT41 HEC 71 -3.554 -3.649 4.016 580 2HBC HEC 71 HT42 HEC 71 -3.587 -3.719 2.235 581 3HBC HEC 71 HT43 HEC 71 -4.037 -5.120 3.177 582 1HMD HEC 71 HM51 HEC 71 2.721 -2.603 3.538 583 2HMD HEC 71 HM52 HEC 71 1.663 -1.430 4.305 584 3HMD HEC 71 HM53 HEC 71 3.415 -1.248 4.423 585 1HAD HEC 71 HP61 HEC 71 4.820 -1.295 5.977 586 2HAD HEC 71 HP62 HEC 71 4.180 -1.018 7.562 587 1HBD HEC 71 HP63 HEC 71 5.850 -3.358 7.596 588 2HBD HEC 71 HP64 HEC 71 6.681 -2.073 6.749 Start of MODEL 22 1 1H ALA 1 1H ALA 1 6.653 5.219 -7.060 2 2H ALA 1 2H ALA 1 6.887 6.815 -7.164 3 3H ALA 1 3H ALA 1 6.010 6.035 -8.319 4 HA ALA 1 HA ALA 1 8.138 6.467 -9.240 5 1HB ALA 1 1HB ALA 1 9.409 6.700 -7.189 6 2HB ALA 1 2HB ALA 1 9.228 4.980 -6.811 7 3HB ALA 1 3HB ALA 1 10.163 5.483 -8.232 8 H ASP 2 H ASP 2 8.609 3.262 -7.724 9 HA ASP 2 HA ASP 2 7.580 1.640 -9.831 10 1HB ASP 2 1HB ASP 2 9.732 0.790 -10.498 11 2HB ASP 2 2HB ASP 2 9.732 2.533 -10.784 12 H VAL 3 H VAL 3 8.314 -0.679 -9.165 13 HA VAL 3 HA VAL 3 7.038 -1.036 -6.731 14 HB VAL 3 HB VAL 3 6.944 -2.694 -8.466 15 1HG1 VAL 3 1HG1 VAL 3 9.214 -2.509 -9.435 16 2HG1 VAL 3 2HG1 VAL 3 9.892 -3.297 -7.997 17 3HG1 VAL 3 3HG1 VAL 3 8.788 -4.181 -9.063 18 1HG2 VAL 3 1HG2 VAL 3 7.245 -4.757 -7.237 19 2HG2 VAL 3 2HG2 VAL 3 8.374 -3.992 -6.105 20 3HG2 VAL 3 3HG2 VAL 3 6.667 -3.525 -6.115 21 H VAL 4 H VAL 4 7.543 -1.388 -4.611 22 HA VAL 4 HA VAL 4 10.411 -1.625 -3.846 23 HB VAL 4 HB VAL 4 8.470 0.471 -2.841 24 1HG1 VAL 4 1HG1 VAL 4 11.157 -0.372 -1.632 25 2HG1 VAL 4 2HG1 VAL 4 10.294 1.125 -1.235 26 3HG1 VAL 4 3HG1 VAL 4 9.590 -0.424 -0.814 27 1HG2 VAL 4 1HG2 VAL 4 10.300 2.016 -3.397 28 2HG2 VAL 4 2HG2 VAL 4 11.296 0.653 -3.953 29 3HG2 VAL 4 3HG2 VAL 4 9.817 1.096 -4.824 30 H THR 5 H THR 5 10.654 -2.412 -1.654 31 HA THR 5 HA THR 5 8.205 -3.206 -0.377 32 HB THR 5 HB THR 5 8.897 -5.367 -1.134 33 HG1 THR 5 HG1 THR 5 10.299 -5.036 1.293 34 1HG2 THR 5 1HG2 THR 5 11.216 -6.248 -0.934 35 2HG2 THR 5 2HG2 THR 5 11.081 -4.912 -2.079 36 3HG2 THR 5 3HG2 THR 5 11.771 -4.627 -0.465 37 H TYR 6 H TYR 6 8.134 -2.955 1.681 38 HA TYR 6 HA TYR 6 9.985 -1.242 3.095 39 1HB TYR 6 1HB TYR 6 7.766 -3.079 4.091 40 2HB TYR 6 2HB TYR 6 8.491 -1.792 5.017 41 HD1 TYR 6 HD1 TYR 6 8.539 0.493 3.049 42 HD2 TYR 6 HD2 TYR 6 5.517 -2.504 3.735 43 HE1 TYR 6 HE1 TYR 6 6.910 1.823 1.816 44 HE2 TYR 6 HE2 TYR 6 3.864 -1.093 2.573 45 HH TYR 6 HH TYR 6 4.902 1.450 0.562 46 H GLU 7 H GLU 7 9.330 -4.700 3.004 47 HA GLU 7 HA GLU 7 10.474 -6.522 3.613 48 1HB GLU 7 1HB GLU 7 12.608 -5.024 3.202 49 2HB GLU 7 2HB GLU 7 12.701 -5.122 4.968 50 1HG GLU 7 1HG GLU 7 12.741 -7.408 2.961 51 2HG GLU 7 2HG GLU 7 14.093 -6.828 3.936 52 H ASN 8 H ASN 8 10.187 -7.790 5.464 53 HA ASN 8 HA ASN 8 9.975 -6.731 8.107 54 1HB ASN 8 1HB ASN 8 7.381 -7.971 7.120 55 2HB ASN 8 2HB ASN 8 7.708 -7.074 8.614 56 1HD2 ASN 8 1HD2 ASN 8 7.321 -6.820 5.098 57 2HD2 ASN 8 2HD2 ASN 8 6.811 -5.120 5.119 58 H LYS 9 H LYS 9 10.037 -8.463 9.551 59 HA LYS 9 HA LYS 9 11.124 -10.881 8.630 60 1HB LYS 9 1HB LYS 9 9.843 -9.936 11.204 61 2HB LYS 9 2HB LYS 9 10.219 -11.645 11.051 62 1HG LYS 9 1HG LYS 9 12.381 -9.623 10.368 63 2HG LYS 9 2HG LYS 9 11.953 -9.906 12.057 64 1HD LYS 9 1HD LYS 9 13.742 -11.359 11.583 65 2HD LYS 9 2HD LYS 9 12.268 -12.334 11.773 66 1HE LYS 9 1HE LYS 9 12.115 -12.707 9.371 67 2HE LYS 9 2HE LYS 9 13.405 -11.523 9.051 68 1HZ LYS 9 1HZ LYS 9 14.933 -13.006 10.148 69 2HZ LYS 9 2HZ LYS 9 13.732 -14.096 10.447 70 3HZ LYS 9 3HZ LYS 9 14.179 -13.762 8.901 71 H LYS 10 H LYS 10 7.840 -10.049 9.334 72 HA LYS 10 HA LYS 10 6.505 -12.531 8.991 73 1HB LYS 10 1HB LYS 10 4.995 -10.503 7.577 74 2HB LYS 10 2HB LYS 10 4.599 -11.344 9.048 75 1HG LYS 10 1HG LYS 10 6.357 -8.832 8.985 76 2HG LYS 10 2HG LYS 10 4.638 -8.795 8.982 77 1HD LYS 10 1HD LYS 10 5.364 -8.562 11.249 78 2HD LYS 10 2HD LYS 10 4.417 -10.043 11.046 79 1HE LYS 10 1HE LYS 10 6.414 -11.396 11.279 80 2HE LYS 10 2HE LYS 10 7.449 -9.932 11.243 81 1HZ LYS 10 1HZ LYS 10 6.553 -9.190 13.223 82 2HZ LYS 10 2HZ LYS 10 5.549 -10.485 13.391 83 3HZ LYS 10 3HZ LYS 10 7.190 -10.675 13.455 84 H GLY 11 H GLY 11 7.304 -10.046 6.541 85 1HA GLY 11 1HA GLY 11 8.465 -11.629 4.696 86 2HA GLY 11 2HA GLY 11 6.754 -11.735 4.231 87 H ASN 12 H ASN 12 8.638 -10.608 2.583 88 HA ASN 12 HA ASN 12 8.980 -7.799 2.861 89 1HB ASN 12 1HB ASN 12 8.950 -9.280 0.212 90 2HB ASN 12 2HB ASN 12 9.881 -7.855 0.643 91 1HD2 ASN 12 1HD2 ASN 12 10.912 -9.049 3.350 92 2HD2 ASN 12 2HD2 ASN 12 12.002 -10.244 2.780 93 H VAL 13 H VAL 13 7.374 -6.304 2.762 94 HA VAL 13 HA VAL 13 4.751 -6.918 1.638 95 HB VAL 13 HB VAL 13 6.022 -4.483 2.858 96 1HG1 VAL 13 1HG1 VAL 13 4.459 -3.590 1.145 97 2HG1 VAL 13 2HG1 VAL 13 3.220 -4.759 1.654 98 3HG1 VAL 13 3HG1 VAL 13 3.755 -3.468 2.742 99 1HG2 VAL 13 1HG2 VAL 13 4.513 -4.942 4.663 100 2HG2 VAL 13 2HG2 VAL 13 3.537 -6.062 3.681 101 3HG2 VAL 13 3HG2 VAL 13 5.160 -6.522 4.188 102 H THR 14 H THR 14 5.030 -7.360 -0.536 103 HA THR 14 HA THR 14 6.919 -5.682 -2.094 104 HB THR 14 HB THR 14 5.305 -8.120 -2.895 105 HG1 THR 14 HG1 THR 14 6.834 -8.385 -1.124 106 1HG2 THR 14 1HG2 THR 14 7.760 -6.781 -4.133 107 2HG2 THR 14 2HG2 THR 14 7.045 -8.320 -4.655 108 3HG2 THR 14 3HG2 THR 14 6.128 -6.813 -4.838 109 H PHE 15 H PHE 15 5.969 -3.656 -2.296 110 HA PHE 15 HA PHE 15 3.167 -3.575 -3.331 111 1HB PHE 15 1HB PHE 15 2.880 -1.486 -2.336 112 2HB PHE 15 2HB PHE 15 3.586 -2.532 -1.135 113 HD1 PHE 15 HD1 PHE 15 5.946 -2.247 -0.425 114 HD2 PHE 15 HD2 PHE 15 3.944 0.559 -3.021 115 HE1 PHE 15 HE1 PHE 15 7.573 -0.494 0.204 116 HE2 PHE 15 HE2 PHE 15 5.497 2.350 -2.267 117 HZ PHE 15 HZ PHE 15 7.326 1.788 -0.657 118 H ASP 16 H ASP 16 3.148 -3.461 -5.497 119 HA ASP 16 HA ASP 16 5.138 -2.009 -7.030 120 1HB ASP 16 1HB ASP 16 3.646 -3.725 -8.028 121 2HB ASP 16 2HB ASP 16 2.294 -2.608 -7.847 122 H HIS 17 H HIS 17 4.535 0.070 -8.012 123 HA HIS 17 HA HIS 17 3.449 1.986 -5.966 124 1HB HIS 17 1HB HIS 17 5.933 1.344 -5.743 125 2HB HIS 17 2HB HIS 17 6.160 2.076 -7.332 126 HD1 HIS 17 HND HIS 17 7.854 3.173 -5.084 127 HD2 HIS 17 HD HIS 17 3.978 4.527 -6.005 128 HE1 HIS 17 HE HIS 17 7.674 5.554 -4.162 129 H LYS 18 H LYS 18 5.161 1.658 -9.081 130 HA LYS 18 HA LYS 18 3.851 3.742 -10.521 131 1HB LYS 18 1HB LYS 18 5.396 3.434 -11.916 132 2HB LYS 18 2HB LYS 18 6.032 2.199 -10.933 133 1HG LYS 18 1HG LYS 18 3.881 1.475 -12.863 134 2HG LYS 18 2HG LYS 18 5.494 1.830 -13.396 135 1HD LYS 18 1HD LYS 18 6.569 0.129 -12.339 136 2HD LYS 18 2HD LYS 18 5.351 -0.067 -11.115 137 1HE LYS 18 1HE LYS 18 4.924 -0.799 -14.065 138 2HE LYS 18 2HE LYS 18 5.468 -1.951 -12.828 139 1HZ LYS 18 1HZ LYS 18 3.441 -1.639 -11.649 140 2HZ LYS 18 2HZ LYS 18 2.872 -0.541 -12.818 141 3HZ LYS 18 3HZ LYS 18 3.130 -2.103 -13.182 142 H ALA 19 H ALA 19 3.145 0.244 -10.243 143 HA ALA 19 HA ALA 19 0.762 0.038 -11.756 144 1HB ALA 19 1HB ALA 19 1.415 -1.880 -10.513 145 2HB ALA 19 2HB ALA 19 1.292 -0.948 -8.970 146 3HB ALA 19 3HB ALA 19 -0.154 -1.370 -9.903 147 H HIS 20 H HIS 20 0.896 1.075 -8.322 148 HA HIS 20 HA HIS 20 -1.883 1.725 -8.250 149 1HB HIS 20 1HB HIS 20 0.423 2.585 -6.459 150 2HB HIS 20 2HB HIS 20 -1.296 2.871 -6.151 151 HD1 HIS 20 HND HIS 20 1.244 -0.019 -6.018 152 HD2 HIS 20 HD HIS 20 -2.763 0.897 -5.273 153 HE1 HIS 20 HE HIS 20 0.303 -1.962 -4.680 154 H ALA 21 H ALA 21 1.031 3.526 -9.121 155 HA ALA 21 HA ALA 21 -0.193 6.126 -9.314 156 1HB ALA 21 1HB ALA 21 2.288 5.703 -9.343 157 2HB ALA 21 2HB ALA 21 2.126 5.129 -11.010 158 3HB ALA 21 3HB ALA 21 1.682 6.778 -10.637 159 H GLU 22 H GLU 22 0.279 3.629 -11.807 160 HA GLU 22 HA GLU 22 -0.797 5.308 -13.906 161 1HB GLU 22 1HB GLU 22 -0.294 3.488 -15.417 162 2HB GLU 22 2HB GLU 22 1.057 3.799 -14.329 163 1HG GLU 22 1HG GLU 22 0.118 1.827 -12.931 164 2HG GLU 22 2HG GLU 22 -0.812 1.417 -14.371 165 H LYS 23 H LYS 23 -1.965 2.533 -12.014 166 HA LYS 23 HA LYS 23 -4.495 2.259 -13.257 167 1HB LYS 23 1HB LYS 23 -3.577 1.772 -10.391 168 2HB LYS 23 2HB LYS 23 -5.097 1.174 -11.056 169 1HG LYS 23 1HG LYS 23 -2.425 0.501 -12.379 170 2HG LYS 23 2HG LYS 23 -2.990 -0.408 -10.987 171 1HD LYS 23 1HD LYS 23 -4.779 0.054 -13.381 172 2HD LYS 23 2HD LYS 23 -3.491 -1.166 -13.446 173 1HE LYS 23 1HE LYS 23 -4.371 -2.273 -11.409 174 2HE LYS 23 2HE LYS 23 -5.681 -1.090 -11.292 175 1HZ LYS 23 1HZ LYS 23 -6.564 -1.966 -13.339 176 2HZ LYS 23 2HZ LYS 23 -5.305 -3.046 -13.464 177 3HZ LYS 23 3HZ LYS 23 -6.341 -3.136 -12.202 178 H LEU 24 H LEU 24 -3.587 4.162 -10.283 179 HA LEU 24 HA LEU 24 -6.282 5.334 -10.253 180 1HB LEU 24 1HB LEU 24 -3.817 5.771 -8.529 181 2HB LEU 24 2HB LEU 24 -5.353 6.589 -8.335 182 HG LEU 24 HG LEU 24 -4.865 4.729 -6.800 183 1HD1 LEU 24 1HD1 LEU 24 -7.113 5.661 -7.058 184 2HD1 LEU 24 2HD1 LEU 24 -7.455 4.529 -8.389 185 3HD1 LEU 24 3HD1 LEU 24 -7.205 3.920 -6.742 186 1HD2 LEU 24 1HD2 LEU 24 -3.987 2.996 -8.255 187 2HD2 LEU 24 2HD2 LEU 24 -5.370 2.431 -7.331 188 3HD2 LEU 24 3HD2 LEU 24 -5.581 2.829 -9.043 189 H GLY 25 H GLY 25 -2.905 6.668 -10.505 190 1HA GLY 25 1HA GLY 25 -3.059 8.741 -12.122 191 2HA GLY 25 2HA GLY 25 -3.999 9.391 -10.760 192 H CYS 26 H CYS 26 -3.006 9.416 -8.666 193 HA CYS 26 HA CYS 26 -0.390 8.722 -7.940 194 1HB CYS 26 1HB CYS 26 0.081 10.662 -9.805 195 2HB CYS 26 2HB CYS 26 -0.332 11.698 -8.472 196 H ASP 27 H ASP 27 -2.712 11.186 -7.934 197 HA ASP 27 HA ASP 27 -2.874 12.623 -5.600 198 1HB ASP 27 1HB ASP 27 -5.296 12.581 -6.192 199 2HB ASP 27 2HB ASP 27 -4.266 12.974 -7.571 200 H ALA 28 H ALA 28 -4.113 9.465 -6.441 201 HA ALA 28 HA ALA 28 -5.562 8.561 -4.390 202 1HB ALA 28 1HB ALA 28 -5.029 7.265 -6.321 203 2HB ALA 28 2HB ALA 28 -3.319 7.118 -5.860 204 3HB ALA 28 3HB ALA 28 -4.580 6.291 -4.902 205 H CYS 29 H CYS 29 -2.025 8.788 -4.302 206 HA CYS 29 HA CYS 29 -2.093 8.319 -1.326 207 1HB CYS 29 1HB CYS 29 0.161 7.662 -3.199 208 2HB CYS 29 2HB CYS 29 0.066 7.336 -1.458 209 H HIS 30 H HIS 30 -0.542 10.058 -4.069 210 HA HIS 30 HA HIS 30 0.806 11.897 -2.139 211 1HB HIS 30 1HB HIS 30 1.218 11.363 -5.095 212 2HB HIS 30 2HB HIS 30 2.103 12.548 -4.148 213 HD1 HIS 30 HND HIS 30 3.412 11.334 -1.922 214 HD2 HIS 30 HD HIS 30 2.463 9.139 -5.318 215 HE1 HIS 30 HE HIS 30 5.076 9.289 -2.018 216 H GLU 31 H GLU 31 -1.349 12.781 -1.726 217 HA GLU 31 HA GLU 31 -3.005 14.025 -3.605 218 1HB GLU 31 1HB GLU 31 -2.547 15.277 -0.840 219 2HB GLU 31 2HB GLU 31 -3.996 15.232 -1.846 220 1HG GLU 31 1HG GLU 31 -3.900 12.715 -1.578 221 2HG GLU 31 2HG GLU 31 -2.714 12.952 -0.283 222 H GLY 32 H GLY 32 -0.632 15.547 -1.585 223 1HA GLY 32 1HA GLY 32 -0.676 18.102 -3.032 224 2HA GLY 32 2HA GLY 32 0.284 17.722 -1.598 225 H THR 33 H THR 33 2.143 16.088 -2.024 226 HA THR 33 HA THR 33 3.341 16.176 -4.668 227 HB THR 33 HB THR 33 4.644 17.663 -2.335 228 HG1 THR 33 HG1 THR 33 2.987 18.512 -4.375 229 1HG2 THR 33 1HG2 THR 33 6.311 16.665 -3.885 230 2HG2 THR 33 2HG2 THR 33 5.497 17.464 -5.256 231 3HG2 THR 33 3HG2 THR 33 6.278 18.431 -3.996 232 HA PRO 34 HA PRO 34 4.953 12.527 -2.528 233 1HB PRO 34 1HB PRO 34 6.772 11.621 -4.312 234 2HB PRO 34 2HB PRO 34 5.016 11.436 -4.555 235 1HG PRO 34 1HG PRO 34 6.821 13.508 -5.732 236 2HG PRO 34 2HG PRO 34 5.499 12.558 -6.499 237 1HD PRO 34 1HD PRO 34 5.174 15.142 -5.650 238 2HD PRO 34 2HD PRO 34 3.847 13.946 -5.599 239 H ALA 35 H ALA 35 6.290 12.605 -0.845 240 HA ALA 35 HA ALA 35 9.122 13.261 -1.211 241 1HB ALA 35 1HB ALA 35 9.115 14.923 0.618 242 2HB ALA 35 2HB ALA 35 8.102 15.462 -0.739 243 3HB ALA 35 3HB ALA 35 7.342 14.805 0.727 244 H LYS 36 H LYS 36 8.004 10.880 -0.940 245 HA LYS 36 HA LYS 36 7.802 8.968 0.155 246 1HB LYS 36 1HB LYS 36 9.578 10.308 2.224 247 2HB LYS 36 2HB LYS 36 8.746 8.806 2.579 248 1HG LYS 36 1HG LYS 36 9.729 7.805 0.471 249 2HG LYS 36 2HG LYS 36 10.647 9.296 0.244 250 1HD LYS 36 1HD LYS 36 11.968 7.512 1.187 251 2HD LYS 36 2HD LYS 36 11.882 8.879 2.313 252 1HE LYS 36 1HE LYS 36 10.836 7.638 3.932 253 2HE LYS 36 2HE LYS 36 9.725 6.888 2.784 254 1HZ LYS 36 1HZ LYS 36 11.221 5.333 3.851 255 2HZ LYS 36 2HZ LYS 36 11.048 5.256 2.271 256 3HZ LYS 36 3HZ LYS 36 12.464 5.895 2.896 257 H ILE 37 H ILE 37 6.260 7.917 1.225 258 HA ILE 37 HA ILE 37 4.609 9.471 3.194 259 HB ILE 37 HB ILE 37 3.564 6.983 1.929 260 1HG1 ILE 37 1HG1 ILE 37 3.691 9.601 0.457 261 2HG1 ILE 37 2HG1 ILE 37 4.388 8.035 0.001 262 1HG2 ILE 37 1HG2 ILE 37 2.219 9.622 2.644 263 2HG2 ILE 37 2HG2 ILE 37 1.414 8.079 2.289 264 3HG2 ILE 37 3HG2 ILE 37 2.362 8.252 3.760 265 1HD1 ILE 37 1HD1 ILE 37 2.023 7.088 -0.010 266 2HD1 ILE 37 2HD1 ILE 37 1.438 8.765 0.113 267 3HD1 ILE 37 3HD1 ILE 37 2.377 8.255 -1.293 268 H ALA 38 H ALA 38 6.498 6.644 2.635 269 HA ALA 38 HA ALA 38 7.501 5.176 3.984 270 1HB ALA 38 1HB ALA 38 6.187 6.463 6.393 271 2HB ALA 38 2HB ALA 38 7.603 5.402 6.338 272 3HB ALA 38 3HB ALA 38 7.682 7.019 5.602 273 H ILE 39 H ILE 39 4.107 5.731 4.963 274 HA ILE 39 HA ILE 39 2.495 4.295 5.707 275 HB ILE 39 HB ILE 39 3.431 2.915 3.180 276 1HG1 ILE 39 1HG1 ILE 39 2.852 5.222 2.858 277 2HG1 ILE 39 2HG1 ILE 39 1.587 4.187 2.250 278 1HG2 ILE 39 1HG2 ILE 39 0.939 2.477 4.852 279 2HG2 ILE 39 2HG2 ILE 39 0.965 2.178 3.102 280 3HG2 ILE 39 3HG2 ILE 39 2.050 1.275 4.148 281 1HD1 ILE 39 1HD1 ILE 39 0.271 4.652 4.384 282 2HD1 ILE 39 2HD1 ILE 39 1.455 5.942 4.705 283 3HD1 ILE 39 3HD1 ILE 39 0.463 5.993 3.246 284 H ASP 40 H ASP 40 3.434 3.963 7.549 285 HA ASP 40 HA ASP 40 5.038 1.554 8.040 286 1HB ASP 40 1HB ASP 40 5.044 2.282 10.401 287 2HB ASP 40 2HB ASP 40 5.733 3.439 9.298 288 H LYS 41 H LYS 41 4.357 0.086 9.621 289 HA LYS 41 HA LYS 41 2.069 -1.305 9.340 290 1HB LYS 41 1HB LYS 41 2.328 -1.989 11.788 291 2HB LYS 41 2HB LYS 41 3.578 -2.378 10.650 292 1HG LYS 41 1HG LYS 41 4.918 -0.403 11.451 293 2HG LYS 41 2HG LYS 41 3.712 -0.138 12.716 294 1HD LYS 41 1HD LYS 41 5.330 -2.686 12.232 295 2HD LYS 41 2HD LYS 41 5.788 -1.395 13.324 296 1HE LYS 41 1HE LYS 41 3.763 -1.774 14.699 297 2HE LYS 41 2HE LYS 41 3.241 -3.064 13.606 298 1HZ LYS 41 1HZ LYS 41 5.232 -4.307 14.213 299 2HZ LYS 41 2HZ LYS 41 5.719 -3.122 15.208 300 3HZ LYS 41 3HZ LYS 41 4.341 -3.960 15.533 301 H LYS 42 H LYS 42 2.413 1.283 11.685 302 HA LYS 42 HA LYS 42 -0.118 1.290 12.900 303 1HB LYS 42 1HB LYS 42 1.841 3.501 12.221 304 2HB LYS 42 2HB LYS 42 0.365 3.872 13.086 305 1HG LYS 42 1HG LYS 42 2.198 1.699 14.143 306 2HG LYS 42 2HG LYS 42 2.590 3.408 14.388 307 1HD LYS 42 1HD LYS 42 0.399 3.828 15.407 308 2HD LYS 42 2HD LYS 42 -0.075 2.133 15.167 309 1HE LYS 42 1HE LYS 42 1.711 1.386 16.695 310 2HE LYS 42 2HE LYS 42 2.313 3.046 16.854 311 1HZ LYS 42 1HZ LYS 42 -0.340 2.120 17.744 312 2HZ LYS 42 2HZ LYS 42 0.955 2.409 18.715 313 3HZ LYS 42 3HZ LYS 42 0.253 3.650 17.901 314 H SER 43 H SER 43 0.821 3.085 9.897 315 HA SER 43 HA SER 43 -1.955 3.997 9.526 316 1HB SER 43 1HB SER 43 0.607 4.251 7.918 317 2HB SER 43 2HB SER 43 -0.973 4.779 7.300 318 HG SER 43 HG SER 43 -1.157 6.141 9.118 319 H ALA 44 H ALA 44 0.325 1.880 7.865 320 HA ALA 44 HA ALA 44 -1.160 1.060 5.759 321 1HB ALA 44 1HB ALA 44 1.347 0.712 6.396 322 2HB ALA 44 2HB ALA 44 0.795 -0.846 7.037 323 3HB ALA 44 3HB ALA 44 0.511 -0.398 5.331 324 H HIS 45 H HIS 45 -0.878 -0.806 8.832 325 HA HIS 45 HA HIS 45 -2.698 -2.859 7.815 326 1HB HIS 45 1HB HIS 45 -0.910 -2.534 10.136 327 2HB HIS 45 2HB HIS 45 -2.474 -3.175 10.604 328 HD1 HIS 45 HND HIS 45 -2.930 -5.681 10.027 329 HD2 HIS 45 HD HIS 45 0.495 -4.002 8.291 330 HE1 HIS 45 HE HIS 45 -1.636 -7.611 8.945 331 H LYS 46 H LYS 46 -3.130 0.222 9.218 332 HA LYS 46 HA LYS 46 -5.704 -0.424 10.564 333 1HB LYS 46 1HB LYS 46 -4.262 1.101 11.686 334 2HB LYS 46 2HB LYS 46 -4.076 2.101 10.254 335 1HG LYS 46 1HG LYS 46 -6.910 1.745 10.967 336 2HG LYS 46 2HG LYS 46 -5.992 2.387 12.328 337 1HD LYS 46 1HD LYS 46 -5.754 3.479 9.511 338 2HD LYS 46 2HD LYS 46 -7.014 4.063 10.585 339 1HE LYS 46 1HE LYS 46 -4.003 4.174 11.216 340 2HE LYS 46 2HE LYS 46 -4.879 5.470 10.397 341 1HZ LYS 46 1HZ LYS 46 -5.481 4.482 13.099 342 2HZ LYS 46 2HZ LYS 46 -4.700 5.881 12.727 343 3HZ LYS 46 3HZ LYS 46 -6.280 5.692 12.315 344 H ASP 47 H ASP 47 -4.638 1.964 8.146 345 HA ASP 47 HA ASP 47 -6.523 1.189 6.132 346 1HB ASP 47 1HB ASP 47 -7.389 3.334 8.101 347 2HB ASP 47 2HB ASP 47 -7.771 3.529 6.410 348 H ALA 48 H ALA 48 -4.126 1.281 5.569 349 HA ALA 48 HA ALA 48 -4.206 3.675 3.801 350 1HB ALA 48 1HB ALA 48 -1.961 3.954 3.571 351 2HB ALA 48 2HB ALA 48 -2.057 3.605 5.308 352 3HB ALA 48 3HB ALA 48 -1.521 2.363 4.157 353 H CYS 49 H CYS 49 -2.456 0.510 3.816 354 HA CYS 49 HA CYS 49 -3.148 0.002 1.088 355 1HB CYS 49 1HB CYS 49 -2.477 -2.071 3.163 356 2HB CYS 49 2HB CYS 49 -2.217 -2.180 1.432 357 H LYS 50 H LYS 50 -4.365 -1.415 4.129 358 HA LYS 50 HA LYS 50 -6.413 -2.915 2.949 359 1HB LYS 50 1HB LYS 50 -6.172 -1.819 5.779 360 2HB LYS 50 2HB LYS 50 -7.450 -2.911 5.219 361 1HG LYS 50 1HG LYS 50 -5.588 -4.446 4.351 362 2HG LYS 50 2HG LYS 50 -4.464 -3.488 5.337 363 1HD LYS 50 1HD LYS 50 -5.748 -4.063 7.364 364 2HD LYS 50 2HD LYS 50 -6.985 -4.866 6.373 365 1HE LYS 50 1HE LYS 50 -5.160 -6.448 5.523 366 2HE LYS 50 2HE LYS 50 -4.087 -5.758 6.754 367 1HZ LYS 50 1HZ LYS 50 -5.724 -6.506 8.401 368 2HZ LYS 50 2HZ LYS 50 -6.635 -7.180 7.203 369 3HZ LYS 50 3HZ LYS 50 -5.133 -7.759 7.508 370 H THR 51 H THR 51 -6.449 0.606 3.629 371 HA THR 51 HA THR 51 -9.285 0.744 3.795 372 HB THR 51 HB THR 51 -7.405 2.555 4.310 373 HG1 THR 51 HG1 THR 51 -9.486 2.567 4.996 374 1HG2 THR 51 1HG2 THR 51 -8.593 3.657 1.738 375 2HG2 THR 51 2HG2 THR 51 -7.572 4.502 2.907 376 3HG2 THR 51 3HG2 THR 51 -6.888 3.186 1.948 377 H CYS 52 H CYS 52 -7.115 1.220 1.010 378 HA CYS 52 HA CYS 52 -9.243 1.370 -0.966 379 1HB CYS 52 1HB CYS 52 -6.290 0.769 -0.941 380 2HB CYS 52 2HB CYS 52 -7.255 0.450 -2.381 381 H HIS 53 H HIS 53 -7.068 -1.228 0.259 382 HA HIS 53 HA HIS 53 -7.971 -3.079 -1.642 383 1HB HIS 53 1HB HIS 53 -6.406 -3.298 0.894 384 2HB HIS 53 2HB HIS 53 -6.996 -4.743 0.084 385 HD1 HIS 53 HND HIS 53 -5.034 -5.705 -1.082 386 HD2 HIS 53 HD HIS 53 -5.201 -1.526 -1.502 387 HE1 HIS 53 HE HIS 53 -3.270 -5.045 -2.792 388 H LYS 54 H LYS 54 -9.433 -2.275 1.471 389 HA LYS 54 HA LYS 54 -11.413 -4.304 1.721 390 1HB LYS 54 1HB LYS 54 -11.403 -1.353 2.282 391 2HB LYS 54 2HB LYS 54 -12.825 -2.351 2.567 392 1HG LYS 54 1HG LYS 54 -11.800 -3.645 4.253 393 2HG LYS 54 2HG LYS 54 -10.172 -3.116 3.810 394 1HD LYS 54 1HD LYS 54 -10.831 -0.765 4.380 395 2HD LYS 54 2HD LYS 54 -12.391 -1.363 4.961 396 1HE LYS 54 1HE LYS 54 -11.269 -2.606 6.773 397 2HE LYS 54 2HE LYS 54 -9.677 -2.236 6.081 398 1HZ LYS 54 1HZ LYS 54 -10.080 -0.731 7.897 399 2HZ LYS 54 2HZ LYS 54 -10.075 0.097 6.526 400 3HZ LYS 54 3HZ LYS 54 -11.497 -0.218 7.245 401 H SER 55 H SER 55 -11.383 -1.260 -0.172 402 HA SER 55 HA SER 55 -14.012 -1.555 -1.275 403 1HB SER 55 1HB SER 55 -12.607 0.579 -1.052 404 2HB SER 55 2HB SER 55 -11.697 0.028 -2.473 405 HG SER 55 HG SER 55 -13.435 1.390 -3.044 406 H ASN 56 H ASN 56 -10.737 -2.364 -2.396 407 HA ASN 56 HA ASN 56 -11.506 -3.239 -5.018 408 1HB ASN 56 1HB ASN 56 -9.057 -3.922 -3.348 409 2HB ASN 56 2HB ASN 56 -9.323 -4.501 -4.987 410 1HD2 ASN 56 1HD2 ASN 56 -9.168 -1.355 -3.155 411 2HD2 ASN 56 2HD2 ASN 56 -8.481 -0.501 -4.522 412 H ASN 57 H ASN 57 -10.907 -5.162 -2.026 413 HA ASN 57 HA ASN 57 -12.531 -7.395 -3.141 414 1HB ASN 57 1HB ASN 57 -9.527 -7.526 -2.673 415 2HB ASN 57 2HB ASN 57 -10.552 -8.961 -2.575 416 1HD2 ASN 57 1HD2 ASN 57 -8.537 -7.421 -4.706 417 2HD2 ASN 57 2HD2 ASN 57 -9.292 -7.979 -6.184 418 H GLY 58 H GLY 58 -10.585 -6.166 -0.395 419 1HA GLY 58 1HA GLY 58 -11.057 -6.439 1.891 420 2HA GLY 58 2HA GLY 58 -12.386 -7.520 1.505 421 HA PRO 59 HA PRO 59 -8.431 -10.305 1.461 422 1HB PRO 59 1HB PRO 59 -5.981 -9.231 1.981 423 2HB PRO 59 2HB PRO 59 -6.703 -9.273 0.348 424 1HG PRO 59 1HG PRO 59 -6.739 -6.959 2.308 425 2HG PRO 59 2HG PRO 59 -6.270 -6.938 0.582 426 1HD PRO 59 1HD PRO 59 -8.777 -6.226 1.410 427 2HD PRO 59 2HD PRO 59 -8.531 -7.134 -0.114 428 H THR 60 H THR 60 -9.379 -11.096 3.314 429 HA THR 60 HA THR 60 -8.875 -9.891 5.965 430 HB THR 60 HB THR 60 -10.389 -11.826 6.634 431 HG1 THR 60 HG1 THR 60 -11.189 -12.023 3.971 432 1HG2 THR 60 1HG2 THR 60 -12.443 -10.769 5.763 433 2HG2 THR 60 2HG2 THR 60 -11.280 -9.548 6.309 434 3HG2 THR 60 3HG2 THR 60 -11.493 -9.855 4.576 435 H LYS 61 H LYS 61 -8.717 -13.111 4.510 436 HA LYS 61 HA LYS 61 -6.946 -14.211 6.486 437 1HB LYS 61 1HB LYS 61 -7.863 -15.232 3.775 438 2HB LYS 61 2HB LYS 61 -6.999 -16.218 4.950 439 1HG LYS 61 1HG LYS 61 -9.678 -14.901 5.553 440 2HG LYS 61 2HG LYS 61 -9.488 -16.518 4.857 441 1HD LYS 61 1HD LYS 61 -8.055 -17.190 6.796 442 2HD LYS 61 2HD LYS 61 -8.404 -15.651 7.584 443 1HE LYS 61 1HE LYS 61 -10.453 -17.780 6.762 444 2HE LYS 61 2HE LYS 61 -9.823 -17.542 8.395 445 1HZ LYS 61 1HZ LYS 61 -11.402 -15.566 6.885 446 2HZ LYS 61 2HZ LYS 61 -11.948 -16.504 8.118 447 3HZ LYS 61 3HZ LYS 61 -10.808 -15.357 8.408 448 H CYS 62 H CYS 62 -5.524 -12.069 5.697 449 HA CYS 62 HA CYS 62 -3.413 -11.492 5.311 450 1HB CYS 62 1HB CYS 62 -3.424 -13.695 6.727 451 2HB CYS 62 2HB CYS 62 -2.609 -14.364 5.319 452 H GLY 63 H GLY 63 -1.457 -13.474 3.908 453 1HA GLY 63 1HA GLY 63 -0.621 -13.813 1.805 454 2HA GLY 63 2HA GLY 63 -2.199 -14.618 1.632 455 H GLY 64 H GLY 64 -0.719 -11.406 1.521 456 1HA GLY 64 1HA GLY 64 -2.194 -10.683 -0.981 457 2HA GLY 64 2HA GLY 64 -2.386 -9.719 0.506 458 H CYS 65 H CYS 65 -0.244 -9.255 1.595 459 HA CYS 65 HA CYS 65 1.270 -7.694 -0.407 460 1HB CYS 65 1HB CYS 65 0.867 -7.197 2.516 461 2HB CYS 65 2HB CYS 65 1.260 -6.012 1.262 462 H HIS 66 H HIS 66 1.751 -9.418 2.705 463 HA HIS 66 HA HIS 66 4.670 -9.445 2.497 464 1HB HIS 66 1HB HIS 66 2.802 -11.242 4.110 465 2HB HIS 66 2HB HIS 66 4.537 -11.128 4.295 466 HD1 HIS 66 HND HIS 66 5.401 -8.544 5.174 467 HD2 HIS 66 HD HIS 66 1.352 -9.637 5.542 468 HE1 HIS 66 HE HIS 66 4.276 -6.899 6.814 469 H ILE 67 H ILE 67 5.479 -10.562 0.714 470 HA ILE 67 HA ILE 67 4.029 -12.810 -0.440 471 HB ILE 67 HB ILE 67 6.918 -11.964 -0.827 472 1HG1 ILE 67 1HG1 ILE 67 5.484 -10.101 -1.374 473 2HG1 ILE 67 2HG1 ILE 67 6.118 -10.820 -2.852 474 1HG2 ILE 67 1HG2 ILE 67 6.569 -14.238 -1.607 475 2HG2 ILE 67 2HG2 ILE 67 5.090 -13.776 -2.464 476 3HG2 ILE 67 3HG2 ILE 67 6.667 -13.163 -3.007 477 1HD1 ILE 67 1HD1 ILE 67 3.796 -10.191 -3.155 478 2HD1 ILE 67 2HD1 ILE 67 3.893 -11.957 -3.192 479 3HD1 ILE 67 3HD1 ILE 67 3.287 -11.117 -1.741 480 H LYS 68 H LYS 68 3.575 -14.416 1.087 481 HA LYS 68 HA LYS 68 5.740 -16.240 1.391 482 1HB LYS 68 1HB LYS 68 5.518 -14.790 3.657 483 2HB LYS 68 2HB LYS 68 4.045 -15.724 3.850 484 1HG LYS 68 1HG LYS 68 5.611 -17.046 5.002 485 2HG LYS 68 2HG LYS 68 5.458 -17.834 3.455 486 1HD LYS 68 1HD LYS 68 7.817 -17.725 4.125 487 2HD LYS 68 2HD LYS 68 7.542 -16.854 2.623 488 1HE LYS 68 1HE LYS 68 9.086 -15.660 4.214 489 2HE LYS 68 2HE LYS 68 7.701 -14.706 3.698 490 1HZ LYS 68 1HZ LYS 68 6.608 -15.413 5.778 491 2HZ LYS 68 2HZ LYS 68 8.040 -16.046 6.308 492 3HZ LYS 68 3HZ LYS 68 7.835 -14.426 6.008 493 HHA HEC 69 HCM HEC 69 8.410 7.470 -1.571 494 HHB HEC 69 HDM HEC 69 6.979 10.235 -7.067 495 HHC HEC 69 HAM HEC 69 1.511 6.920 -7.336 496 HHD HEC 69 HBM HEC 69 2.638 4.833 -1.393 497 1HMA HEC 69 HM81 HEC 69 10.330 10.491 -5.388 498 2HMA HEC 69 HM82 HEC 69 9.292 10.287 -6.796 499 3HMA HEC 69 HM83 HEC 69 8.935 11.569 -5.607 500 1HAA HEC 69 HP71 HEC 69 10.235 10.426 -3.089 501 2HAA HEC 69 HP72 HEC 69 9.650 9.350 -1.832 502 1HBA HEC 69 HP73 HEC 69 11.377 8.480 -4.179 503 2HBA HEC 69 HP74 HEC 69 11.961 8.825 -2.543 504 1HMB HEC 69 HM11 HEC 69 4.703 11.123 -9.136 505 2HMB HEC 69 HM12 HEC 69 6.316 10.386 -9.099 506 3HMB HEC 69 HM13 HEC 69 5.126 9.767 -10.217 507 HAB HEC 69 HT2A HEC 69 1.531 8.281 -8.963 508 1HBB HEC 69 HT21 HEC 69 3.162 8.664 -10.930 509 2HBB HEC 69 HT22 HEC 69 1.567 9.405 -10.986 510 3HBB HEC 69 HT23 HEC 69 2.953 10.398 -10.558 511 1HMC HEC 69 HM31 HEC 69 -0.692 6.635 -5.906 512 2HMC HEC 69 HM32 HEC 69 -0.066 5.220 -6.780 513 3HMC HEC 69 HM33 HEC 69 -1.013 5.009 -5.309 514 HAC HEC 69 HT4A HEC 69 0.568 4.731 -1.735 515 1HBC HEC 69 HT41 HEC 69 -0.807 3.200 -3.945 516 2HBC HEC 69 HT42 HEC 69 0.714 2.670 -3.204 517 3HBC HEC 69 HT43 HEC 69 -0.742 2.847 -2.218 518 1HMD HEC 69 HM51 HEC 69 4.927 5.009 1.516 519 2HMD HEC 69 HM52 HEC 69 3.417 4.921 0.632 520 3HMD HEC 69 HM53 HEC 69 4.627 3.647 0.418 521 1HAD HEC 69 HP61 HEC 69 8.444 5.568 -0.409 522 2HAD HEC 69 HP62 HEC 69 7.776 6.444 0.961 523 1HBD HEC 69 HP63 HEC 69 6.951 4.418 1.898 524 2HBD HEC 69 HP64 HEC 69 6.970 3.613 0.327 525 HHA HEC 70 HCM HEC 70 -2.984 -4.946 -6.965 526 HHB HEC 70 HDM HEC 70 0.438 -4.604 -1.578 527 HHC HEC 70 HAM HEC 70 -1.982 1.212 -0.517 528 HHD HEC 70 HBM HEC 70 -6.060 0.375 -5.288 529 1HMA HEC 70 HM81 HEC 70 0.351 -7.606 -3.951 530 2HMA HEC 70 HM82 HEC 70 1.499 -6.358 -3.422 531 3HMA HEC 70 HM83 HEC 70 0.167 -6.880 -2.360 532 1HAA HEC 70 HP71 HEC 70 -1.287 -6.407 -7.140 533 2HAA HEC 70 HP72 HEC 70 -0.109 -7.234 -6.152 534 1HBA HEC 70 HP73 HEC 70 -1.939 -8.243 -4.805 535 2HBA HEC 70 HP74 HEC 70 -3.126 -7.434 -5.839 536 1HMB HEC 70 HM11 HEC 70 1.767 -3.541 -0.098 537 2HMB HEC 70 HM12 HEC 70 1.589 -2.312 1.157 538 3HMB HEC 70 HM13 HEC 70 0.486 -3.701 1.126 539 HAB HEC 70 HT2A HEC 70 -0.629 0.851 1.000 540 1HBB HEC 70 HT21 HEC 70 2.005 -0.211 0.315 541 2HBB HEC 70 HT22 HEC 70 1.515 1.402 0.806 542 3HBB HEC 70 HT23 HEC 70 1.859 0.177 2.032 543 1HMC HEC 70 HM31 HEC 70 -3.924 2.637 -0.182 544 2HMC HEC 70 HM32 HEC 70 -2.877 3.423 -1.390 545 3HMC HEC 70 HM33 HEC 70 -4.616 3.700 -1.403 546 HAC HEC 70 HT4A HEC 70 -6.767 1.993 -4.151 547 1HBC HEC 70 HT41 HEC 70 -4.981 4.354 -3.513 548 2HBC HEC 70 HT42 HEC 70 -5.118 3.477 -5.052 549 3HBC HEC 70 HT43 HEC 70 -6.517 4.373 -4.409 550 1HMD HEC 70 HM51 HEC 70 -6.667 -1.428 -8.481 551 2HMD HEC 70 HM52 HEC 70 -7.214 -0.600 -7.020 552 3HMD HEC 70 HM53 HEC 70 -5.808 0.024 -7.897 553 1HAD HEC 70 HP61 HEC 70 -5.006 -2.857 -9.226 554 2HAD HEC 70 HP62 HEC 70 -4.180 -4.294 -8.674 555 1HBD HEC 70 HP63 HEC 70 -6.226 -5.273 -7.861 556 2HBD HEC 70 HP64 HEC 70 -7.119 -3.766 -8.108 557 HHA HEC 71 HCM HEC 71 4.310 -4.303 8.756 558 HHB HEC 71 HDM HEC 71 1.805 -9.559 11.184 559 HHC HEC 71 HAM HEC 71 -1.795 -10.170 5.967 560 HHD HEC 71 HBM HEC 71 0.327 -4.643 3.782 561 1HMA HEC 71 HM81 HEC 71 3.938 -7.098 13.137 562 2HMA HEC 71 HM82 HEC 71 2.229 -7.512 13.029 563 3HMA HEC 71 HM83 HEC 71 3.460 -8.729 12.663 564 1HAA HEC 71 HP71 HEC 71 5.017 -4.389 10.665 565 2HAA HEC 71 HP72 HEC 71 4.418 -4.970 12.182 566 1HBA HEC 71 HP73 HEC 71 6.407 -6.732 10.720 567 2HBA HEC 71 HP74 HEC 71 6.982 -5.166 11.280 568 1HMB HEC 71 HM11 HEC 71 1.349 -11.721 10.886 569 2HMB HEC 71 HM12 HEC 71 -0.392 -11.760 11.237 570 3HMB HEC 71 HM13 HEC 71 0.326 -12.812 9.984 571 HAB HEC 71 HT2A HEC 71 -2.678 -11.290 7.691 572 1HBB HEC 71 HT21 HEC 71 -3.224 -13.219 8.831 573 2HBB HEC 71 HT22 HEC 71 -1.550 -13.626 9.205 574 3HBB HEC 71 HT23 HEC 71 -2.361 -12.247 10.011 575 1HMC HEC 71 HM31 HEC 71 -2.033 -10.166 3.804 576 2HMC HEC 71 HM32 HEC 71 -3.449 -9.244 4.256 577 3HMC HEC 71 HM33 HEC 71 -2.670 -8.959 2.676 578 HAC HEC 71 HT4A HEC 71 -1.487 -5.043 2.829 579 1HBC HEC 71 HT41 HEC 71 -3.716 -5.689 3.561 580 2HBC HEC 71 HT42 HEC 71 -3.581 -5.342 1.829 581 3HBC HEC 71 HT43 HEC 71 -3.713 -7.019 2.380 582 1HMD HEC 71 HM51 HEC 71 1.865 -2.900 3.382 583 2HMD HEC 71 HM52 HEC 71 0.724 -2.315 4.560 584 3HMD HEC 71 HM53 HEC 71 2.372 -1.616 4.508 585 1HAD HEC 71 HP61 HEC 71 4.471 -2.001 5.735 586 2HAD HEC 71 HP62 HEC 71 3.270 -1.334 6.825 587 1HBD HEC 71 HP63 HEC 71 4.394 -2.294 8.707 588 2HBD HEC 71 HP64 HEC 71 5.591 -3.082 7.628 Start of MODEL 23 1 1H ALA 1 1H ALA 1 9.243 3.337 -7.167 2 2H ALA 1 2H ALA 1 9.647 4.933 -7.281 3 3H ALA 1 3H ALA 1 8.159 4.409 -7.777 4 HA ALA 1 HA ALA 1 9.558 4.853 -9.648 5 1HB ALA 1 1HB ALA 1 11.442 3.312 -10.112 6 2HB ALA 1 2HB ALA 1 11.726 4.313 -8.680 7 3HB ALA 1 3HB ALA 1 11.271 2.608 -8.486 8 H ASP 2 H ASP 2 10.102 1.368 -9.726 9 HA ASP 2 HA ASP 2 7.610 0.952 -11.105 10 1HB ASP 2 1HB ASP 2 8.538 -1.215 -11.596 11 2HB ASP 2 2HB ASP 2 9.495 0.139 -12.198 12 H VAL 3 H VAL 3 9.474 -0.620 -8.484 13 HA VAL 3 HA VAL 3 7.053 -1.083 -6.842 14 HB VAL 3 HB VAL 3 7.123 -3.033 -8.299 15 1HG1 VAL 3 1HG1 VAL 3 10.024 -3.422 -7.439 16 2HG1 VAL 3 2HG1 VAL 3 9.058 -4.568 -8.387 17 3HG1 VAL 3 3HG1 VAL 3 9.454 -2.991 -9.065 18 1HG2 VAL 3 1HG2 VAL 3 8.293 -3.877 -5.612 19 2HG2 VAL 3 2HG2 VAL 3 6.586 -3.499 -5.911 20 3HG2 VAL 3 3HG2 VAL 3 7.339 -4.863 -6.728 21 H VAL 4 H VAL 4 7.605 -1.570 -4.583 22 HA VAL 4 HA VAL 4 10.486 -1.390 -3.869 23 HB VAL 4 HB VAL 4 8.300 0.415 -2.824 24 1HG1 VAL 4 1HG1 VAL 4 9.609 -0.356 -0.844 25 2HG1 VAL 4 2HG1 VAL 4 11.119 -0.015 -1.703 26 3HG1 VAL 4 3HG1 VAL 4 10.034 1.303 -1.230 27 1HG2 VAL 4 1HG2 VAL 4 9.445 1.274 -4.813 28 2HG2 VAL 4 2HG2 VAL 4 9.914 2.203 -3.379 29 3HG2 VAL 4 3HG2 VAL 4 11.021 0.980 -4.039 30 H THR 5 H THR 5 10.838 -2.132 -1.653 31 HA THR 5 HA THR 5 8.485 -3.152 -0.385 32 HB THR 5 HB THR 5 9.489 -5.241 -1.313 33 HG1 THR 5 HG1 THR 5 8.564 -4.902 0.799 34 1HG2 THR 5 1HG2 THR 5 11.653 -6.079 -0.521 35 2HG2 THR 5 2HG2 THR 5 11.897 -4.558 -1.399 36 3HG2 THR 5 3HG2 THR 5 11.955 -4.585 0.377 37 H TYR 6 H TYR 6 8.420 -2.977 1.723 38 HA TYR 6 HA TYR 6 10.134 -1.102 3.070 39 1HB TYR 6 1HB TYR 6 8.025 -3.042 4.091 40 2HB TYR 6 2HB TYR 6 8.762 -1.779 5.048 41 HD1 TYR 6 HD1 TYR 6 5.725 -2.406 3.976 42 HD2 TYR 6 HD2 TYR 6 8.735 0.583 3.185 43 HE1 TYR 6 HE1 TYR 6 4.055 -1.011 2.797 44 HE2 TYR 6 HE2 TYR 6 7.099 1.879 1.952 45 HH TYR 6 HH TYR 6 5.018 1.209 0.589 46 H GLU 7 H GLU 7 9.816 -4.605 3.063 47 HA GLU 7 HA GLU 7 10.807 -6.293 4.061 48 1HB GLU 7 1HB GLU 7 12.911 -5.626 3.204 49 2HB GLU 7 2HB GLU 7 13.173 -4.539 4.576 50 1HG GLU 7 1HG GLU 7 13.858 -6.205 5.947 51 2HG GLU 7 2HG GLU 7 12.584 -7.311 5.435 52 H ASN 8 H ASN 8 10.528 -7.288 5.973 53 HA ASN 8 HA ASN 8 10.521 -6.213 8.572 54 1HB ASN 8 1HB ASN 8 7.965 -6.300 8.858 55 2HB ASN 8 2HB ASN 8 8.644 -4.863 8.108 56 1HD2 ASN 8 1HD2 ASN 8 7.617 -4.197 6.318 57 2HD2 ASN 8 2HD2 ASN 8 6.765 -5.223 5.163 58 H LYS 9 H LYS 9 9.234 -7.888 10.032 59 HA LYS 9 HA LYS 9 10.873 -10.156 9.321 60 1HB LYS 9 1HB LYS 9 10.517 -8.886 11.611 61 2HB LYS 9 2HB LYS 9 9.115 -9.933 11.775 62 1HG LYS 9 1HG LYS 9 10.789 -11.115 12.921 63 2HG LYS 9 2HG LYS 9 10.768 -11.904 11.350 64 1HD LYS 9 1HD LYS 9 13.040 -11.615 11.744 65 2HD LYS 9 2HD LYS 9 12.664 -10.240 10.693 66 1HE LYS 9 1HE LYS 9 12.463 -8.783 12.758 67 2HE LYS 9 2HE LYS 9 12.871 -10.186 13.756 68 1HZ LYS 9 1HZ LYS 9 14.620 -8.945 11.737 69 2HZ LYS 9 2HZ LYS 9 14.763 -8.804 13.367 70 3HZ LYS 9 3HZ LYS 9 15.006 -10.262 12.648 71 H LYS 10 H LYS 10 7.599 -9.506 8.824 72 HA LYS 10 HA LYS 10 6.439 -12.147 9.170 73 1HB LYS 10 1HB LYS 10 5.660 -9.821 7.352 74 2HB LYS 10 2HB LYS 10 4.636 -11.213 7.711 75 1HG LYS 10 1HG LYS 10 5.677 -9.177 9.738 76 2HG LYS 10 2HG LYS 10 4.112 -9.123 8.935 77 1HD LYS 10 1HD LYS 10 3.382 -10.186 10.774 78 2HD LYS 10 2HD LYS 10 3.912 -11.630 9.920 79 1HE LYS 10 1HE LYS 10 6.065 -11.584 11.224 80 2HE LYS 10 2HE LYS 10 5.598 -10.052 11.954 81 1HZ LYS 10 1HZ LYS 10 4.164 -12.602 12.310 82 2HZ LYS 10 2HZ LYS 10 5.193 -11.918 13.395 83 3HZ LYS 10 3HZ LYS 10 3.778 -11.174 13.027 84 H GLY 11 H GLY 11 7.308 -10.340 6.271 85 1HA GLY 11 1HA GLY 11 8.803 -12.242 4.850 86 2HA GLY 11 2HA GLY 11 7.089 -12.522 4.446 87 H ASN 12 H ASN 12 8.901 -9.562 5.324 88 HA ASN 12 HA ASN 12 9.049 -7.481 4.335 89 1HB ASN 12 1HB ASN 12 8.828 -9.074 1.724 90 2HB ASN 12 2HB ASN 12 9.334 -7.411 1.886 91 1HD2 ASN 12 1HD2 ASN 12 10.740 -8.959 4.571 92 2HD2 ASN 12 2HD2 ASN 12 12.327 -9.020 3.801 93 H VAL 13 H VAL 13 7.874 -6.135 2.413 94 HA VAL 13 HA VAL 13 5.068 -6.973 1.983 95 HB VAL 13 HB VAL 13 6.066 -4.291 2.956 96 1HG1 VAL 13 1HG1 VAL 13 3.338 -4.786 1.684 97 2HG1 VAL 13 2HG1 VAL 13 3.948 -3.265 2.375 98 3HG1 VAL 13 3HG1 VAL 13 4.632 -3.858 0.911 99 1HG2 VAL 13 1HG2 VAL 13 5.141 -6.033 4.622 100 2HG2 VAL 13 2HG2 VAL 13 4.422 -4.439 4.637 101 3HG2 VAL 13 3HG2 VAL 13 3.572 -5.795 3.853 102 H THR 14 H THR 14 5.367 -7.403 -0.255 103 HA THR 14 HA THR 14 7.028 -5.562 -1.871 104 HB THR 14 HB THR 14 5.068 -7.710 -2.776 105 HG1 THR 14 HG1 THR 14 7.820 -7.809 -2.098 106 1HG2 THR 14 1HG2 THR 14 5.737 -6.111 -4.552 107 2HG2 THR 14 2HG2 THR 14 7.450 -6.359 -4.147 108 3HG2 THR 14 3HG2 THR 14 6.488 -7.696 -4.813 109 H PHE 15 H PHE 15 6.199 -3.566 -2.535 110 HA PHE 15 HA PHE 15 3.265 -3.438 -3.016 111 1HB PHE 15 1HB PHE 15 3.013 -1.315 -2.039 112 2HB PHE 15 2HB PHE 15 3.720 -2.373 -0.840 113 HD1 PHE 15 HD1 PHE 15 4.139 0.687 -2.776 114 HD2 PHE 15 HD2 PHE 15 6.136 -2.179 -0.241 115 HE1 PHE 15 HE1 PHE 15 5.789 2.420 -2.116 116 HE2 PHE 15 HE2 PHE 15 7.784 -0.449 0.401 117 HZ PHE 15 HZ PHE 15 7.594 1.843 -0.480 118 H ASP 16 H ASP 16 2.920 -3.012 -5.051 119 HA ASP 16 HA ASP 16 5.037 -2.123 -6.819 120 1HB ASP 16 1HB ASP 16 3.169 -3.732 -7.399 121 2HB ASP 16 2HB ASP 16 2.084 -2.334 -7.425 122 H HIS 17 H HIS 17 4.889 -0.135 -8.028 123 HA HIS 17 HA HIS 17 3.899 2.144 -6.338 124 1HB HIS 17 1HB HIS 17 6.540 1.439 -6.741 125 2HB HIS 17 2HB HIS 17 6.289 2.521 -8.093 126 HD1 HIS 17 HND HIS 17 7.721 2.773 -4.904 127 HD2 HIS 17 HD HIS 17 4.550 4.815 -6.766 128 HE1 HIS 17 HE HIS 17 7.506 4.997 -3.727 129 H LYS 18 H LYS 18 5.146 1.268 -9.559 130 HA LYS 18 HA LYS 18 3.770 3.299 -11.052 131 1HB LYS 18 1HB LYS 18 5.109 2.796 -12.585 132 2HB LYS 18 2HB LYS 18 5.813 1.630 -11.529 133 1HG LYS 18 1HG LYS 18 3.474 0.978 -13.294 134 2HG LYS 18 2HG LYS 18 5.144 0.962 -13.823 135 1HD LYS 18 1HD LYS 18 5.806 -0.871 -12.654 136 2HD LYS 18 2HD LYS 18 4.705 -0.555 -11.334 137 1HE LYS 18 1HE LYS 18 2.771 -1.259 -12.858 138 2HE LYS 18 2HE LYS 18 3.973 -1.750 -14.055 139 1HZ LYS 18 1HZ LYS 18 4.830 -3.322 -12.417 140 2HZ LYS 18 2HZ LYS 18 3.781 -2.810 -11.289 141 3HZ LYS 18 3HZ LYS 18 3.212 -3.568 -12.615 142 H ALA 19 H ALA 19 2.926 -0.119 -10.403 143 HA ALA 19 HA ALA 19 0.560 -0.247 -11.957 144 1HB ALA 19 1HB ALA 19 -0.190 -1.957 -10.421 145 2HB ALA 19 2HB ALA 19 1.534 -2.176 -10.772 146 3HB ALA 19 3HB ALA 19 1.014 -1.427 -9.228 147 H HIS 20 H HIS 20 0.864 0.614 -8.460 148 HA HIS 20 HA HIS 20 -1.890 1.331 -8.173 149 1HB HIS 20 1HB HIS 20 0.605 1.992 -6.565 150 2HB HIS 20 2HB HIS 20 -0.994 2.583 -6.132 151 HD1 HIS 20 HND HIS 20 -0.843 -0.954 -7.499 152 HD2 HIS 20 HD HIS 20 -1.592 1.142 -3.979 153 HE1 HIS 20 HE HIS 20 -1.497 -2.632 -5.833 154 H ALA 21 H ALA 21 0.965 3.054 -9.334 155 HA ALA 21 HA ALA 21 -0.276 5.656 -9.424 156 1HB ALA 21 1HB ALA 21 1.865 4.734 -11.356 157 2HB ALA 21 2HB ALA 21 1.494 6.356 -10.789 158 3HB ALA 21 3HB ALA 21 2.189 5.157 -9.668 159 H GLU 22 H GLU 22 -0.080 3.110 -11.950 160 HA GLU 22 HA GLU 22 -1.506 4.725 -13.900 161 1HB GLU 22 1HB GLU 22 -1.741 2.603 -15.214 162 2HB GLU 22 2HB GLU 22 -0.085 3.144 -14.911 163 1HG GLU 22 1HG GLU 22 0.314 1.421 -13.368 164 2HG GLU 22 2HG GLU 22 -1.405 1.005 -13.213 165 H LYS 23 H LYS 23 -2.472 2.102 -11.672 166 HA LYS 23 HA LYS 23 -5.167 1.981 -12.731 167 1HB LYS 23 1HB LYS 23 -4.135 1.067 -10.032 168 2HB LYS 23 2HB LYS 23 -5.640 0.582 -10.811 169 1HG LYS 23 1HG LYS 23 -2.810 -0.205 -11.504 170 2HG LYS 23 2HG LYS 23 -4.173 -1.222 -11.075 171 1HD LYS 23 1HD LYS 23 -5.236 -0.599 -13.293 172 2HD LYS 23 2HD LYS 23 -3.750 0.308 -13.675 173 1HE LYS 23 1HE LYS 23 -2.466 -1.878 -13.142 174 2HE LYS 23 2HE LYS 23 -4.036 -2.696 -13.226 175 1HZ LYS 23 1HZ LYS 23 -2.712 -1.114 -15.337 176 2HZ LYS 23 2HZ LYS 23 -2.842 -2.739 -15.317 177 3HZ LYS 23 3HZ LYS 23 -4.196 -1.808 -15.515 178 H LEU 24 H LEU 24 -3.639 3.628 -9.901 179 HA LEU 24 HA LEU 24 -6.299 4.635 -9.108 180 1HB LEU 24 1HB LEU 24 -3.733 5.134 -7.634 181 2HB LEU 24 2HB LEU 24 -5.393 5.099 -7.041 182 HG LEU 24 HG LEU 24 -3.937 2.597 -8.024 183 1HD1 LEU 24 1HD1 LEU 24 -3.531 2.054 -5.735 184 2HD1 LEU 24 2HD1 LEU 24 -2.850 3.663 -6.066 185 3HD1 LEU 24 3HD1 LEU 24 -4.349 3.525 -5.174 186 1HD2 LEU 24 1HD2 LEU 24 -6.530 2.915 -6.495 187 2HD2 LEU 24 2HD2 LEU 24 -6.351 2.398 -8.187 188 3HD2 LEU 24 3HD2 LEU 24 -5.662 1.412 -6.892 189 H GLY 25 H GLY 25 -2.988 6.018 -9.919 190 1HA GLY 25 1HA GLY 25 -3.400 7.940 -11.529 191 2HA GLY 25 2HA GLY 25 -4.179 8.725 -10.136 192 H CYS 26 H CYS 26 -2.987 8.997 -8.229 193 HA CYS 26 HA CYS 26 -0.281 8.305 -7.719 194 1HB CYS 26 1HB CYS 26 -0.017 10.072 -9.735 195 2HB CYS 26 2HB CYS 26 -0.431 11.241 -8.513 196 H ASP 27 H ASP 27 -2.544 10.793 -7.665 197 HA ASP 27 HA ASP 27 -2.509 12.257 -5.280 198 1HB ASP 27 1HB ASP 27 -4.937 12.453 -5.832 199 2HB ASP 27 2HB ASP 27 -3.897 12.779 -7.222 200 H ALA 28 H ALA 28 -3.976 9.220 -6.169 201 HA ALA 28 HA ALA 28 -5.481 8.408 -4.085 202 1HB ALA 28 1HB ALA 28 -3.479 6.683 -5.602 203 2HB ALA 28 2HB ALA 28 -4.948 6.109 -4.777 204 3HB ALA 28 3HB ALA 28 -5.083 7.190 -6.184 205 H CYS 29 H CYS 29 -1.942 8.452 -4.074 206 HA CYS 29 HA CYS 29 -2.000 7.819 -1.127 207 1HB CYS 29 1HB CYS 29 0.269 7.356 -3.062 208 2HB CYS 29 2HB CYS 29 0.244 6.987 -1.327 209 H HIS 30 H HIS 30 -0.361 9.613 -3.785 210 HA HIS 30 HA HIS 30 1.038 11.283 -1.776 211 1HB HIS 30 1HB HIS 30 1.215 11.024 -4.790 212 2HB HIS 30 2HB HIS 30 2.098 12.217 -3.851 213 HD1 HIS 30 HND HIS 30 3.724 11.087 -1.846 214 HD2 HIS 30 HD HIS 30 2.485 8.763 -5.078 215 HE1 HIS 30 HE HIS 30 5.415 9.105 -2.075 216 H GLU 31 H GLU 31 -1.083 12.046 -1.054 217 HA GLU 31 HA GLU 31 -2.816 13.668 -2.407 218 1HB GLU 31 1HB GLU 31 -1.795 13.743 0.424 219 2HB GLU 31 2HB GLU 31 -2.842 15.061 -0.136 220 1HG GLU 31 1HG GLU 31 -4.584 13.594 -0.799 221 2HG GLU 31 2HG GLU 31 -3.549 12.188 -0.693 222 H GLY 32 H GLY 32 -2.609 15.190 -3.679 223 1HA GLY 32 1HA GLY 32 -1.992 17.198 -4.701 224 2HA GLY 32 2HA GLY 32 -1.065 17.636 -3.261 225 H THR 33 H THR 33 0.995 16.104 -2.978 226 HA THR 33 HA THR 33 2.356 15.624 -5.552 227 HB THR 33 HB THR 33 4.273 17.112 -4.735 228 HG1 THR 33 HG1 THR 33 3.628 18.756 -3.275 229 1HG2 THR 33 1HG2 THR 33 2.694 17.797 -6.574 230 2HG2 THR 33 2HG2 THR 33 1.695 18.620 -5.357 231 3HG2 THR 33 3HG2 THR 33 3.356 19.158 -5.649 232 HA PRO 34 HA PRO 34 4.284 12.678 -2.872 233 1HB PRO 34 1HB PRO 34 6.291 11.658 -4.352 234 2HB PRO 34 2HB PRO 34 4.585 11.457 -4.841 235 1HG PRO 34 1HG PRO 34 6.507 13.532 -5.784 236 2HG PRO 34 2HG PRO 34 5.433 12.457 -6.752 237 1HD PRO 34 1HD PRO 34 4.750 15.061 -6.125 238 2HD PRO 34 2HD PRO 34 3.536 13.749 -6.242 239 H ALA 35 H ALA 35 5.803 12.524 -1.276 240 HA ALA 35 HA ALA 35 8.444 13.692 -1.456 241 1HB ALA 35 1HB ALA 35 6.403 14.848 0.507 242 2HB ALA 35 2HB ALA 35 8.149 15.186 0.508 243 3HB ALA 35 3HB ALA 35 7.143 15.721 -0.850 244 H LYS 36 H LYS 36 8.072 11.125 -1.346 245 HA LYS 36 HA LYS 36 7.632 9.180 -0.386 246 1HB LYS 36 1HB LYS 36 8.874 10.541 2.049 247 2HB LYS 36 2HB LYS 36 8.456 8.839 1.971 248 1HG LYS 36 1HG LYS 36 9.907 8.590 -0.056 249 2HG LYS 36 2HG LYS 36 10.362 10.305 0.082 250 1HD LYS 36 1HD LYS 36 12.148 9.120 1.089 251 2HD LYS 36 2HD LYS 36 11.172 9.713 2.441 252 1HE LYS 36 1HE LYS 36 11.497 7.509 3.038 253 2HE LYS 36 2HE LYS 36 9.943 7.360 2.276 254 1HZ LYS 36 1HZ LYS 36 12.516 6.529 1.133 255 2HZ LYS 36 2HZ LYS 36 11.152 5.660 1.476 256 3HZ LYS 36 3HZ LYS 36 11.168 6.682 0.208 257 H ILE 37 H ILE 37 6.491 7.980 1.327 258 HA ILE 37 HA ILE 37 4.372 9.587 2.710 259 HB ILE 37 HB ILE 37 4.163 6.641 2.101 260 1HG1 ILE 37 1HG1 ILE 37 4.191 7.861 -0.042 261 2HG1 ILE 37 2HG1 ILE 37 2.715 6.981 0.294 262 1HG2 ILE 37 1HG2 ILE 37 1.757 7.028 2.632 263 2HG2 ILE 37 2HG2 ILE 37 2.847 7.351 3.992 264 3HG2 ILE 37 3HG2 ILE 37 2.155 8.698 3.089 265 1HD1 ILE 37 1HD1 ILE 37 3.040 9.990 0.614 266 2HD1 ILE 37 2HD1 ILE 37 2.187 9.139 -0.695 267 3HD1 ILE 37 3HD1 ILE 37 1.553 9.070 0.944 268 H ALA 38 H ALA 38 6.304 6.691 2.765 269 HA ALA 38 HA ALA 38 7.545 5.586 4.299 270 1HB ALA 38 1HB ALA 38 7.104 7.869 6.240 271 2HB ALA 38 2HB ALA 38 8.265 6.537 6.356 272 3HB ALA 38 3HB ALA 38 8.416 7.736 5.036 273 H ILE 39 H ILE 39 5.873 4.074 4.106 274 HA ILE 39 HA ILE 39 3.766 4.095 6.195 275 HB ILE 39 HB ILE 39 4.147 2.542 3.635 276 1HG1 ILE 39 1HG1 ILE 39 3.289 4.762 3.280 277 2HG1 ILE 39 2HG1 ILE 39 1.997 3.585 3.057 278 1HG2 ILE 39 1HG2 ILE 39 1.838 1.577 4.271 279 2HG2 ILE 39 2HG2 ILE 39 3.268 0.903 5.054 280 3HG2 ILE 39 3HG2 ILE 39 2.244 2.064 5.927 281 1HD1 ILE 39 1HD1 ILE 39 1.295 4.124 5.476 282 2HD1 ILE 39 2HD1 ILE 39 2.369 5.529 5.362 283 3HD1 ILE 39 3HD1 ILE 39 1.008 5.371 4.250 284 H ASP 40 H ASP 40 4.265 3.324 7.988 285 HA ASP 40 HA ASP 40 6.208 1.119 8.385 286 1HB ASP 40 1HB ASP 40 4.668 2.571 10.569 287 2HB ASP 40 2HB ASP 40 6.218 1.739 10.682 288 H LYS 41 H LYS 41 5.430 -0.726 9.580 289 HA LYS 41 HA LYS 41 3.233 -2.068 9.738 290 1HB LYS 41 1HB LYS 41 3.557 -2.346 12.211 291 2HB LYS 41 2HB LYS 41 4.933 -2.705 11.223 292 1HG LYS 41 1HG LYS 41 4.817 -0.003 12.555 293 2HG LYS 41 2HG LYS 41 5.206 -1.468 13.455 294 1HD LYS 41 1HD LYS 41 7.061 -1.966 11.804 295 2HD LYS 41 2HD LYS 41 6.729 -0.439 11.015 296 1HE LYS 41 1HE LYS 41 8.548 -0.014 12.387 297 2HE LYS 41 2HE LYS 41 7.164 0.804 13.117 298 1HZ LYS 41 1HZ LYS 41 8.513 -0.373 14.727 299 2HZ LYS 41 2HZ LYS 41 7.009 -1.039 14.675 300 3HZ LYS 41 3HZ LYS 41 8.273 -1.805 13.950 301 H LYS 42 H LYS 42 3.368 0.928 11.624 302 HA LYS 42 HA LYS 42 0.763 0.681 12.726 303 1HB LYS 42 1HB LYS 42 2.871 2.191 13.345 304 2HB LYS 42 2HB LYS 42 2.078 3.392 12.332 305 1HG LYS 42 1HG LYS 42 -0.029 2.946 13.738 306 2HG LYS 42 2HG LYS 42 1.027 1.955 14.774 307 1HD LYS 42 1HD LYS 42 2.537 4.045 15.002 308 2HD LYS 42 2HD LYS 42 1.305 4.931 14.105 309 1HE LYS 42 1HE LYS 42 0.919 5.419 16.404 310 2HE LYS 42 2HE LYS 42 -0.381 4.334 15.897 311 1HZ LYS 42 1HZ LYS 42 2.042 3.561 17.400 312 2HZ LYS 42 2HZ LYS 42 0.532 3.720 18.025 313 3HZ LYS 42 3HZ LYS 42 0.845 2.525 16.943 314 H SER 43 H SER 43 1.729 3.264 10.369 315 HA SER 43 HA SER 43 -0.736 4.042 9.545 316 1HB SER 43 1HB SER 43 1.757 3.847 7.811 317 2HB SER 43 2HB SER 43 0.464 5.063 7.740 318 HG SER 43 HG SER 43 2.487 5.609 8.973 319 H ALA 44 H ALA 44 1.329 1.557 8.131 320 HA ALA 44 HA ALA 44 0.180 0.568 5.861 321 1HB ALA 44 1HB ALA 44 2.193 -0.285 6.773 322 2HB ALA 44 2HB ALA 44 1.409 -0.759 8.275 323 3HB ALA 44 3HB ALA 44 0.968 -1.616 6.818 324 H HIS 45 H HIS 45 -0.572 -0.623 9.108 325 HA HIS 45 HA HIS 45 -2.898 -2.154 8.152 326 1HB HIS 45 1HB HIS 45 -1.266 -2.011 10.685 327 2HB HIS 45 2HB HIS 45 -2.920 -2.593 10.764 328 HD1 HIS 45 HND HIS 45 -2.826 -5.075 10.986 329 HD2 HIS 45 HD HIS 45 -0.056 -3.548 8.226 330 HE1 HIS 45 HE HIS 45 -1.589 -7.069 10.025 331 H LYS 46 H LYS 46 -2.261 0.953 9.682 332 HA LYS 46 HA LYS 46 -4.765 1.164 11.073 333 1HB LYS 46 1HB LYS 46 -2.746 2.436 11.613 334 2HB LYS 46 2HB LYS 46 -2.845 3.322 10.094 335 1HG LYS 46 1HG LYS 46 -4.982 3.374 12.278 336 2HG LYS 46 2HG LYS 46 -3.612 4.497 12.166 337 1HD LYS 46 1HD LYS 46 -4.392 5.050 9.819 338 2HD LYS 46 2HD LYS 46 -5.925 4.236 10.225 339 1HE LYS 46 1HE LYS 46 -6.139 5.834 12.186 340 2HE LYS 46 2HE LYS 46 -4.692 6.669 11.581 341 1HZ LYS 46 1HZ LYS 46 -6.597 7.788 10.728 342 2HZ LYS 46 2HZ LYS 46 -5.945 6.962 9.455 343 3HZ LYS 46 3HZ LYS 46 -7.258 6.388 10.156 344 H ASP 47 H ASP 47 -3.683 2.963 8.128 345 HA ASP 47 HA ASP 47 -6.101 2.168 6.698 346 1HB ASP 47 1HB ASP 47 -6.935 4.413 6.380 347 2HB ASP 47 2HB ASP 47 -6.912 4.022 8.093 348 H ALA 48 H ALA 48 -2.877 2.492 6.396 349 HA ALA 48 HA ALA 48 -2.874 4.062 3.944 350 1HB ALA 48 1HB ALA 48 -0.722 2.302 5.086 351 2HB ALA 48 2HB ALA 48 -0.555 3.441 3.742 352 3HB ALA 48 3HB ALA 48 -0.955 4.037 5.375 353 H CYS 49 H CYS 49 -2.206 0.579 4.593 354 HA CYS 49 HA CYS 49 -2.945 -0.083 1.810 355 1HB CYS 49 1HB CYS 49 -1.837 -1.938 3.864 356 2HB CYS 49 2HB CYS 49 -1.770 -2.089 2.117 357 H LYS 50 H LYS 50 -3.662 -1.009 5.238 358 HA LYS 50 HA LYS 50 -5.870 -2.705 4.348 359 1HB LYS 50 1HB LYS 50 -4.421 -3.300 6.249 360 2HB LYS 50 2HB LYS 50 -5.008 -1.881 7.114 361 1HG LYS 50 1HG LYS 50 -6.071 -3.858 7.977 362 2HG LYS 50 2HG LYS 50 -7.265 -2.822 7.245 363 1HD LYS 50 1HD LYS 50 -7.877 -4.987 6.639 364 2HD LYS 50 2HD LYS 50 -7.185 -4.314 5.162 365 1HE LYS 50 1HE LYS 50 -5.039 -5.525 5.633 366 2HE LYS 50 2HE LYS 50 -5.710 -6.111 7.162 367 1HZ LYS 50 1HZ LYS 50 -6.719 -6.797 4.479 368 2HZ LYS 50 2HZ LYS 50 -5.879 -7.775 5.499 369 3HZ LYS 50 3HZ LYS 50 -7.392 -7.285 5.900 370 H THR 51 H THR 51 -6.577 -0.574 3.174 371 HA THR 51 HA THR 51 -9.163 -0.241 4.427 372 HB THR 51 HB THR 51 -7.949 1.750 5.356 373 HG1 THR 51 HG1 THR 51 -9.717 3.124 4.764 374 1HG2 THR 51 1HG2 THR 51 -8.178 2.889 2.525 375 2HG2 THR 51 2HG2 THR 51 -7.564 3.686 3.967 376 3HG2 THR 51 3HG2 THR 51 -6.649 2.343 3.253 377 H CYS 52 H CYS 52 -7.092 0.846 1.698 378 HA CYS 52 HA CYS 52 -9.104 1.201 -0.203 379 1HB CYS 52 1HB CYS 52 -6.189 0.433 -0.289 380 2HB CYS 52 2HB CYS 52 -7.159 0.339 -1.751 381 H HIS 53 H HIS 53 -7.229 -1.766 0.371 382 HA HIS 53 HA HIS 53 -8.711 -3.278 -1.555 383 1HB HIS 53 1HB HIS 53 -7.016 -4.654 0.492 384 2HB HIS 53 2HB HIS 53 -7.232 -4.997 -1.213 385 HD1 HIS 53 HND HIS 53 -5.348 -2.549 1.174 386 HD2 HIS 53 HD HIS 53 -5.423 -3.664 -2.922 387 HE1 HIS 53 HE HIS 53 -3.381 -1.547 0.067 388 H LYS 54 H LYS 54 -10.739 -2.416 -0.222 389 HA LYS 54 HA LYS 54 -11.766 -4.583 1.555 390 1HB LYS 54 1HB LYS 54 -12.206 -1.586 1.623 391 2HB LYS 54 2HB LYS 54 -13.191 -2.739 2.529 392 1HG LYS 54 1HG LYS 54 -10.148 -2.649 2.734 393 2HG LYS 54 2HG LYS 54 -11.180 -1.647 3.715 394 1HD LYS 54 1HD LYS 54 -11.981 -4.505 3.740 395 2HD LYS 54 2HD LYS 54 -10.337 -4.222 4.296 396 1HE LYS 54 1HE LYS 54 -11.948 -4.148 6.189 397 2HE LYS 54 2HE LYS 54 -11.092 -2.613 5.982 398 1HZ LYS 54 1HZ LYS 54 -13.836 -3.181 5.054 399 2HZ LYS 54 2HZ LYS 54 -13.419 -2.258 6.349 400 3HZ LYS 54 3HZ LYS 54 -13.036 -1.763 4.831 401 H SER 55 H SER 55 -12.909 -1.818 -0.420 402 HA SER 55 HA SER 55 -15.162 -3.498 -1.469 403 1HB SER 55 1HB SER 55 -15.223 -0.574 -0.627 404 2HB SER 55 2HB SER 55 -16.590 -1.572 -1.148 405 HG SER 55 HG SER 55 -16.113 -2.938 0.690 406 H ASN 56 H ASN 56 -12.777 -3.295 -2.830 407 HA ASN 56 HA ASN 56 -13.608 -1.777 -5.257 408 1HB ASN 56 1HB ASN 56 -11.260 -1.301 -5.730 409 2HB ASN 56 2HB ASN 56 -11.822 -0.501 -4.257 410 1HD2 ASN 56 1HD2 ASN 56 -9.106 -0.718 -4.748 411 2HD2 ASN 56 2HD2 ASN 56 -8.406 -1.838 -3.595 412 H ASN 57 H ASN 57 -11.422 -4.323 -4.017 413 HA ASN 57 HA ASN 57 -11.896 -5.943 -6.491 414 1HB ASN 57 1HB ASN 57 -9.560 -5.927 -4.525 415 2HB ASN 57 2HB ASN 57 -9.764 -7.025 -5.898 416 1HD2 ASN 57 1HD2 ASN 57 -7.529 -6.089 -6.384 417 2HD2 ASN 57 2HD2 ASN 57 -7.504 -4.604 -7.314 418 H GLY 58 H GLY 58 -10.968 -6.487 -3.016 419 1HA GLY 58 1HA GLY 58 -13.271 -7.636 -2.080 420 2HA GLY 58 2HA GLY 58 -12.393 -8.974 -2.869 421 HA PRO 59 HA PRO 59 -10.515 -8.221 1.408 422 1HB PRO 59 1HB PRO 59 -11.430 -10.422 2.739 423 2HB PRO 59 2HB PRO 59 -12.420 -8.944 2.567 424 1HG PRO 59 1HG PRO 59 -12.522 -11.438 0.843 425 2HG PRO 59 2HG PRO 59 -13.891 -10.614 1.646 426 1HD PRO 59 1HD PRO 59 -13.256 -10.152 -0.963 427 2HD PRO 59 2HD PRO 59 -13.826 -8.823 0.087 428 H THR 60 H THR 60 -8.895 -9.662 2.432 429 HA THR 60 HA THR 60 -7.579 -11.463 0.439 430 HB THR 60 HB THR 60 -5.481 -10.451 1.464 431 HG1 THR 60 HG1 THR 60 -6.081 -8.227 2.234 432 1HG2 THR 60 1HG2 THR 60 -5.600 -8.442 0.055 433 2HG2 THR 60 2HG2 THR 60 -6.374 -9.807 -0.759 434 3HG2 THR 60 3HG2 THR 60 -7.372 -8.551 -0.005 435 H LYS 61 H LYS 61 -7.792 -10.654 3.889 436 HA LYS 61 HA LYS 61 -7.861 -11.941 5.751 437 1HB LYS 61 1HB LYS 61 -9.090 -13.579 3.833 438 2HB LYS 61 2HB LYS 61 -7.929 -14.658 4.581 439 1HG LYS 61 1HG LYS 61 -10.050 -12.957 5.954 440 2HG LYS 61 2HG LYS 61 -10.144 -14.695 5.598 441 1HD LYS 61 1HD LYS 61 -7.988 -14.957 7.002 442 2HD LYS 61 2HD LYS 61 -8.295 -13.334 7.620 443 1HE LYS 61 1HE LYS 61 -10.094 -15.801 7.847 444 2HE LYS 61 2HE LYS 61 -9.184 -15.034 9.153 445 1HZ LYS 61 1HZ LYS 61 -11.485 -14.429 9.218 446 2HZ LYS 61 2HZ LYS 61 -10.589 -13.089 8.900 447 3HZ LYS 61 3HZ LYS 61 -11.442 -13.824 7.694 448 H CYS 62 H CYS 62 -5.722 -10.962 5.500 449 HA CYS 62 HA CYS 62 -3.590 -10.757 5.466 450 1HB CYS 62 1HB CYS 62 -3.092 -13.606 6.236 451 2HB CYS 62 2HB CYS 62 -2.021 -12.199 6.414 452 H GLY 63 H GLY 63 -1.469 -12.527 4.523 453 1HA GLY 63 1HA GLY 63 -0.674 -13.562 2.649 454 2HA GLY 63 2HA GLY 63 -2.316 -13.669 2.004 455 H GLY 64 H GLY 64 -3.068 -11.076 1.848 456 1HA GLY 64 1HA GLY 64 -2.650 -10.258 -0.596 457 2HA GLY 64 2HA GLY 64 -2.873 -9.082 0.708 458 H CYS 65 H CYS 65 -0.479 -9.130 1.996 459 HA CYS 65 HA CYS 65 1.115 -7.565 0.010 460 1HB CYS 65 1HB CYS 65 0.644 -7.056 2.924 461 2HB CYS 65 2HB CYS 65 1.298 -5.920 1.737 462 H HIS 66 H HIS 66 1.333 -9.478 3.030 463 HA HIS 66 HA HIS 66 4.256 -9.377 3.033 464 1HB HIS 66 1HB HIS 66 2.329 -11.108 4.634 465 2HB HIS 66 2HB HIS 66 4.068 -10.991 4.878 466 HD1 HIS 66 HND HIS 66 4.907 -8.233 5.371 467 HD2 HIS 66 HD HIS 66 0.896 -9.409 6.122 468 HE1 HIS 66 HE HIS 66 3.901 -6.608 7.038 469 H ILE 67 H ILE 67 5.523 -10.711 1.830 470 HA ILE 67 HA ILE 67 4.242 -12.977 0.399 471 HB ILE 67 HB ILE 67 7.047 -11.833 0.187 472 1HG1 ILE 67 1HG1 ILE 67 5.524 -10.067 -0.446 473 2HG1 ILE 67 2HG1 ILE 67 6.266 -10.754 -1.888 474 1HG2 ILE 67 1HG2 ILE 67 7.028 -13.018 -2.013 475 2HG2 ILE 67 2HG2 ILE 67 6.928 -14.123 -0.637 476 3HG2 ILE 67 3HG2 ILE 67 5.474 -13.760 -1.579 477 1HD1 ILE 67 1HD1 ILE 67 3.423 -11.271 -0.905 478 2HD1 ILE 67 2HD1 ILE 67 3.921 -10.285 -2.283 479 3HD1 ILE 67 3HD1 ILE 67 4.161 -12.038 -2.334 480 H LYS 68 H LYS 68 3.780 -14.021 2.456 481 HA LYS 68 HA LYS 68 6.072 -15.646 3.352 482 1HB LYS 68 1HB LYS 68 5.259 -14.021 5.169 483 2HB LYS 68 2HB LYS 68 3.695 -14.861 5.092 484 1HG LYS 68 1HG LYS 68 4.929 -17.030 5.544 485 2HG LYS 68 2HG LYS 68 6.420 -16.084 5.700 486 1HD LYS 68 1HD LYS 68 5.345 -14.822 7.592 487 2HD LYS 68 2HD LYS 68 3.924 -15.879 7.447 488 1HE LYS 68 1HE LYS 68 5.316 -17.873 7.894 489 2HE LYS 68 2HE LYS 68 6.787 -16.883 7.904 490 1HZ LYS 68 1HZ LYS 68 4.600 -16.661 9.851 491 2HZ LYS 68 2HZ LYS 68 6.052 -17.395 10.104 492 3HZ LYS 68 3HZ LYS 68 5.996 -15.774 9.837 493 HHA HEC 69 HCM HEC 69 8.643 7.296 -1.630 494 HHB HEC 69 HDM HEC 69 6.923 10.185 -6.990 495 HHC HEC 69 HAM HEC 69 1.675 6.549 -7.283 496 HHD HEC 69 HBM HEC 69 2.878 4.565 -1.368 497 1HMA HEC 69 HM81 HEC 69 10.432 10.174 -5.701 498 2HMA HEC 69 HM82 HEC 69 9.170 10.235 -6.916 499 3HMA HEC 69 HM83 HEC 69 9.149 11.401 -5.568 500 1HAA HEC 69 HP71 HEC 69 10.661 9.988 -3.489 501 2HAA HEC 69 HP72 HEC 69 10.070 9.117 -2.103 502 1HBA HEC 69 HP73 HEC 69 11.336 7.741 -4.502 503 2HBA HEC 69 HP74 HEC 69 12.259 8.309 -3.103 504 1HMB HEC 69 HM11 HEC 69 5.133 9.647 -10.108 505 2HMB HEC 69 HM12 HEC 69 4.468 10.954 -9.091 506 3HMB HEC 69 HM13 HEC 69 6.164 10.463 -8.952 507 HAB HEC 69 HT2A HEC 69 1.583 7.934 -8.864 508 1HBB HEC 69 HT21 HEC 69 2.925 9.978 -10.608 509 2HBB HEC 69 HT22 HEC 69 3.182 8.229 -10.847 510 3HBB HEC 69 HT23 HEC 69 1.559 8.918 -10.942 511 1HMC HEC 69 HM31 HEC 69 -0.786 4.697 -5.182 512 2HMC HEC 69 HM32 HEC 69 -0.434 6.267 -5.903 513 3HMC HEC 69 HM33 HEC 69 0.173 4.776 -6.669 514 HAC HEC 69 HT4A HEC 69 0.816 4.461 -1.629 515 1HBC HEC 69 HT41 HEC 69 -0.695 2.637 -2.271 516 2HBC HEC 69 HT42 HEC 69 -0.252 2.892 -3.970 517 3HBC HEC 69 HT43 HEC 69 0.970 2.334 -2.821 518 1HMD HEC 69 HM51 HEC 69 5.213 4.706 1.545 519 2HMD HEC 69 HM52 HEC 69 3.676 4.718 0.703 520 3HMD HEC 69 HM53 HEC 69 4.852 3.441 0.357 521 1HAD HEC 69 HP61 HEC 69 8.662 5.521 -0.308 522 2HAD HEC 69 HP62 HEC 69 7.964 6.535 0.949 523 1HBD HEC 69 HP63 HEC 69 7.256 4.631 2.158 524 2HBD HEC 69 HP64 HEC 69 7.218 3.641 0.683 525 HHA HEC 70 HCM HEC 70 -3.601 -4.981 -6.087 526 HHB HEC 70 HDM HEC 70 0.419 -4.391 -1.152 527 HHC HEC 70 HAM HEC 70 -1.948 1.378 0.137 528 HHD HEC 70 HBM HEC 70 -6.047 0.736 -4.680 529 1HMA HEC 70 HM81 HEC 70 1.319 -5.827 -2.982 530 2HMA HEC 70 HM82 HEC 70 0.245 -6.858 -2.012 531 3HMA HEC 70 HM83 HEC 70 0.504 -7.204 -3.731 532 1HAA HEC 70 HP71 HEC 70 -1.350 -7.739 -4.864 533 2HAA HEC 70 HP72 HEC 70 -2.837 -7.041 -5.468 534 1HBA HEC 70 HP73 HEC 70 -1.372 -5.549 -6.971 535 2HBA HEC 70 HP74 HEC 70 -0.027 -6.598 -6.512 536 1HMB HEC 70 HM11 HEC 70 0.636 -3.566 1.379 537 2HMB HEC 70 HM12 HEC 70 1.919 -3.292 0.188 538 3HMB HEC 70 HM13 HEC 70 1.725 -2.185 1.554 539 HAB HEC 70 HT2A HEC 70 -0.464 1.051 1.487 540 1HBB HEC 70 HT21 HEC 70 1.668 1.230 0.304 541 2HBB HEC 70 HT22 HEC 70 1.834 1.400 2.052 542 3HBB HEC 70 HT23 HEC 70 2.319 -0.102 1.260 543 1HMC HEC 70 HM31 HEC 70 -4.339 3.177 0.161 544 2HMC HEC 70 HM32 HEC 70 -2.702 3.437 -0.487 545 3HMC HEC 70 HM33 HEC 70 -4.090 4.168 -1.279 546 HAC HEC 70 HT4A HEC 70 -6.936 1.980 -3.226 547 1HBC HEC 70 HT41 HEC 70 -6.334 3.768 -4.386 548 2HBC HEC 70 HT42 HEC 70 -7.035 4.541 -2.963 549 3HBC HEC 70 HT43 HEC 70 -5.263 4.446 -3.126 550 1HMD HEC 70 HM51 HEC 70 -7.696 -1.650 -6.890 551 2HMD HEC 70 HM52 HEC 70 -7.287 -0.071 -6.185 552 3HMD HEC 70 HM53 HEC 70 -6.522 -0.584 -7.697 553 1HAD HEC 70 HP61 HEC 70 -5.355 -4.424 -7.717 554 2HAD HEC 70 HP62 HEC 70 -5.874 -2.857 -8.375 555 1HBD HEC 70 HP63 HEC 70 -3.027 -3.848 -8.038 556 2HBD HEC 70 HP64 HEC 70 -3.903 -3.539 -9.535 557 HHA HEC 71 HCM HEC 71 4.079 -4.438 9.606 558 HHB HEC 71 HDM HEC 71 0.882 -9.608 11.408 559 HHC HEC 71 HAM HEC 71 -2.658 -9.146 6.183 560 HHD HEC 71 HBM HEC 71 0.614 -4.149 4.209 561 1HMA HEC 71 HM81 HEC 71 2.828 -7.453 13.637 562 2HMA HEC 71 HM82 HEC 71 2.128 -8.968 13.077 563 3HMA HEC 71 HM83 HEC 71 3.884 -8.677 12.926 564 1HAA HEC 71 HP71 HEC 71 4.653 -4.945 11.955 565 2HAA HEC 71 HP72 HEC 71 4.930 -6.537 12.624 566 1HBA HEC 71 HP73 HEC 71 5.822 -7.055 10.167 567 2HBA HEC 71 HP74 HEC 71 6.097 -5.316 10.158 568 1HMB HEC 71 HM11 HEC 71 -1.425 -10.918 11.625 569 2HMB HEC 71 HM12 HEC 71 -1.782 -12.126 10.366 570 3HMB HEC 71 HM13 HEC 71 -0.105 -11.794 10.808 571 HAB HEC 71 HT2A HEC 71 -3.868 -9.958 7.735 572 1HBB HEC 71 HT21 HEC 71 -3.755 -10.795 10.623 573 2HBB HEC 71 HT22 HEC 71 -3.987 -9.136 10.034 574 3HBB HEC 71 HT23 HEC 71 -5.177 -10.395 9.652 575 1HMC HEC 71 HM31 HEC 71 -2.942 -7.781 2.800 576 2HMC HEC 71 HM32 HEC 71 -2.565 -9.116 3.891 577 3HMC HEC 71 HM33 HEC 71 -3.895 -8.006 4.288 578 HAC HEC 71 HT4A HEC 71 -1.028 -4.339 2.948 579 1HBC HEC 71 HT41 HEC 71 -3.158 -4.212 1.887 580 2HBC HEC 71 HT42 HEC 71 -3.729 -5.667 2.707 581 3HBC HEC 71 HT43 HEC 71 -3.355 -4.209 3.652 582 1HMD HEC 71 HM51 HEC 71 2.610 -2.992 3.915 583 2HMD HEC 71 HM52 HEC 71 1.641 -1.844 4.800 584 3HMD HEC 71 HM53 HEC 71 3.399 -1.781 4.954 585 1HAD HEC 71 HP61 HEC 71 5.036 -2.696 6.219 586 2HAD HEC 71 HP62 HEC 71 4.290 -1.636 7.397 587 1HBD HEC 71 HP63 HEC 71 5.300 -2.948 9.176 588 2HBD HEC 71 HP64 HEC 71 5.823 -4.200 8.024 Start of MODEL 24 1 1H ALA 1 1H ALA 1 11.009 2.175 -6.220 2 2H ALA 1 2H ALA 1 12.054 3.442 -6.466 3 3H ALA 1 3H ALA 1 10.405 3.674 -6.470 4 HA ALA 1 HA ALA 1 11.399 3.709 -8.683 5 1HB ALA 1 1HB ALA 1 11.557 0.700 -8.181 6 2HB ALA 1 2HB ALA 1 11.896 1.543 -9.709 7 3HB ALA 1 3HB ALA 1 12.952 1.794 -8.317 8 H ASP 2 H ASP 2 9.883 1.313 -10.021 9 HA ASP 2 HA ASP 2 7.207 2.478 -9.777 10 1HB ASP 2 1HB ASP 2 6.882 1.084 -11.792 11 2HB ASP 2 2HB ASP 2 8.384 1.990 -11.967 12 H VAL 3 H VAL 3 9.013 -0.109 -8.369 13 HA VAL 3 HA VAL 3 6.632 -0.907 -6.885 14 HB VAL 3 HB VAL 3 6.580 -2.566 -8.629 15 1HG1 VAL 3 1HG1 VAL 3 8.498 -4.016 -9.204 16 2HG1 VAL 3 2HG1 VAL 3 8.804 -2.331 -9.621 17 3HG1 VAL 3 3HG1 VAL 3 9.557 -3.035 -8.173 18 1HG2 VAL 3 1HG2 VAL 3 6.293 -3.436 -6.308 19 2HG2 VAL 3 2HG2 VAL 3 6.925 -4.642 -7.435 20 3HG2 VAL 3 3HG2 VAL 3 8.017 -3.866 -6.276 21 H VAL 4 H VAL 4 7.253 -1.579 -4.722 22 HA VAL 4 HA VAL 4 10.143 -1.761 -4.145 23 HB VAL 4 HB VAL 4 8.216 0.280 -2.970 24 1HG1 VAL 4 1HG1 VAL 4 9.239 -0.780 -0.996 25 2HG1 VAL 4 2HG1 VAL 4 10.853 -0.622 -1.728 26 3HG1 VAL 4 3HG1 VAL 4 9.931 0.815 -1.256 27 1HG2 VAL 4 1HG2 VAL 4 11.009 0.440 -4.156 28 2HG2 VAL 4 2HG2 VAL 4 9.499 1.120 -4.825 29 3HG2 VAL 4 3HG2 VAL 4 10.199 1.790 -3.349 30 H THR 5 H THR 5 10.428 -2.651 -1.921 31 HA THR 5 HA THR 5 7.955 -3.525 -0.761 32 HB THR 5 HB THR 5 8.787 -5.604 -1.837 33 HG1 THR 5 HG1 THR 5 7.842 -5.352 0.329 34 1HG2 THR 5 1HG2 THR 5 10.827 -6.711 -1.079 35 2HG2 THR 5 2HG2 THR 5 11.249 -5.142 -1.791 36 3HG2 THR 5 3HG2 THR 5 11.235 -5.348 -0.024 37 H TYR 6 H TYR 6 7.813 -3.389 1.361 38 HA TYR 6 HA TYR 6 10.172 -2.496 2.942 39 1HB TYR 6 1HB TYR 6 7.378 -3.119 3.953 40 2HB TYR 6 2HB TYR 6 8.677 -2.298 4.793 41 HD1 TYR 6 HD1 TYR 6 9.614 -0.195 3.082 42 HD2 TYR 6 HD2 TYR 6 5.597 -1.717 3.440 43 HE1 TYR 6 HE1 TYR 6 8.720 1.942 2.232 44 HE2 TYR 6 HE2 TYR 6 4.718 0.429 2.583 45 HH TYR 6 HH TYR 6 6.839 3.187 1.856 46 H GLU 7 H GLU 7 11.487 -4.222 3.249 47 HA GLU 7 HA GLU 7 10.506 -6.944 3.563 48 1HB GLU 7 1HB GLU 7 12.881 -7.390 4.238 49 2HB GLU 7 2HB GLU 7 12.672 -6.745 2.607 50 1HG GLU 7 1HG GLU 7 13.432 -4.525 3.318 51 2HG GLU 7 2HG GLU 7 13.500 -5.058 5.009 52 H ASN 8 H ASN 8 9.973 -7.920 5.534 53 HA ASN 8 HA ASN 8 10.435 -6.420 8.042 54 1HB ASN 8 1HB ASN 8 7.682 -7.544 7.700 55 2HB ASN 8 2HB ASN 8 8.229 -6.134 8.611 56 1HD2 ASN 8 1HD2 ASN 8 7.519 -7.405 5.385 57 2HD2 ASN 8 2HD2 ASN 8 7.321 -5.816 4.641 58 H LYS 9 H LYS 9 9.396 -7.794 9.845 59 HA LYS 9 HA LYS 9 10.816 -10.274 9.844 60 1HB LYS 9 1HB LYS 9 10.049 -8.481 11.712 61 2HB LYS 9 2HB LYS 9 8.731 -9.604 11.934 62 1HG LYS 9 1HG LYS 9 10.044 -11.078 13.038 63 2HG LYS 9 2HG LYS 9 11.348 -11.016 11.853 64 1HD LYS 9 1HD LYS 9 10.785 -8.772 13.812 65 2HD LYS 9 2HD LYS 9 11.863 -10.129 14.212 66 1HE LYS 9 1HE LYS 9 13.374 -9.594 12.368 67 2HE LYS 9 2HE LYS 9 12.293 -8.338 11.758 68 1HZ LYS 9 1HZ LYS 9 14.096 -7.409 12.978 69 2HZ LYS 9 2HZ LYS 9 12.688 -7.083 13.754 70 3HZ LYS 9 3HZ LYS 9 13.704 -8.244 14.338 71 H LYS 10 H LYS 10 7.463 -9.360 9.445 72 HA LYS 10 HA LYS 10 6.261 -11.989 9.526 73 1HB LYS 10 1HB LYS 10 5.350 -9.517 7.972 74 2HB LYS 10 2HB LYS 10 4.354 -10.926 8.328 75 1HG LYS 10 1HG LYS 10 5.545 -9.045 10.399 76 2HG LYS 10 2HG LYS 10 4.025 -8.778 9.604 77 1HD LYS 10 1HD LYS 10 3.440 -9.726 11.651 78 2HD LYS 10 2HD LYS 10 3.133 -10.956 10.442 79 1HE LYS 10 1HE LYS 10 4.142 -11.702 12.655 80 2HE LYS 10 2HE LYS 10 4.959 -12.290 11.209 81 1HZ LYS 10 1HZ LYS 10 5.878 -9.894 12.688 82 2HZ LYS 10 2HZ LYS 10 6.449 -11.413 12.992 83 3HZ LYS 10 3HZ LYS 10 6.652 -10.681 11.530 84 H GLY 11 H GLY 11 6.609 -9.978 6.609 85 1HA GLY 11 1HA GLY 11 7.887 -12.030 5.026 86 2HA GLY 11 2HA GLY 11 6.210 -11.643 4.563 87 H ASN 12 H ASN 12 6.900 -10.437 2.613 88 HA ASN 12 HA ASN 12 8.348 -7.865 3.185 89 1HB ASN 12 1HB ASN 12 8.747 -9.624 0.779 90 2HB ASN 12 2HB ASN 12 9.489 -8.054 1.070 91 1HD2 ASN 12 1HD2 ASN 12 9.683 -9.179 4.152 92 2HD2 ASN 12 2HD2 ASN 12 11.225 -9.996 4.022 93 H VAL 13 H VAL 13 7.023 -6.312 2.841 94 HA VAL 13 HA VAL 13 4.328 -6.704 1.816 95 HB VAL 13 HB VAL 13 5.856 -4.256 2.692 96 1HG1 VAL 13 1HG1 VAL 13 3.867 -2.963 2.484 97 2HG1 VAL 13 2HG1 VAL 13 4.037 -3.713 0.926 98 3HG1 VAL 13 3HG1 VAL 13 2.880 -4.388 2.069 99 1HG2 VAL 13 1HG2 VAL 13 4.454 -4.358 4.656 100 2HG2 VAL 13 2HG2 VAL 13 3.448 -5.649 3.962 101 3HG2 VAL 13 3HG2 VAL 13 5.112 -5.982 4.435 102 H THR 14 H THR 14 4.456 -7.279 -0.377 103 HA THR 14 HA THR 14 6.348 -5.821 -2.126 104 HB THR 14 HB THR 14 4.373 -8.054 -2.721 105 HG1 THR 14 HG1 THR 14 6.102 -8.451 -1.115 106 1HG2 THR 14 1HG2 THR 14 5.887 -8.470 -4.649 107 2HG2 THR 14 2HG2 THR 14 5.127 -6.872 -4.770 108 3HG2 THR 14 3HG2 THR 14 6.819 -7.017 -4.238 109 H PHE 15 H PHE 15 5.623 -3.665 -2.406 110 HA PHE 15 HA PHE 15 2.765 -3.338 -3.231 111 1HB PHE 15 1HB PHE 15 2.728 -1.172 -2.355 112 2HB PHE 15 2HB PHE 15 3.205 -2.296 -1.097 113 HD1 PHE 15 HD1 PHE 15 5.538 -2.327 -0.238 114 HD2 PHE 15 HD2 PHE 15 4.183 0.631 -3.073 115 HE1 PHE 15 HE1 PHE 15 7.333 -0.797 0.494 116 HE2 PHE 15 HE2 PHE 15 5.977 2.175 -2.297 117 HZ PHE 15 HZ PHE 15 7.494 1.478 -0.474 118 H ASP 16 H ASP 16 2.451 -2.886 -5.242 119 HA ASP 16 HA ASP 16 4.526 -1.951 -7.055 120 1HB ASP 16 1HB ASP 16 2.716 -3.490 -7.740 121 2HB ASP 16 2HB ASP 16 1.517 -2.232 -7.407 122 H HIS 17 H HIS 17 4.777 0.171 -7.752 123 HA HIS 17 HA HIS 17 3.449 2.303 -6.126 124 1HB HIS 17 1HB HIS 17 5.816 1.742 -5.501 125 2HB HIS 17 2HB HIS 17 6.303 2.087 -7.148 126 HD1 HIS 17 HND HIS 17 7.379 4.335 -7.337 127 HD2 HIS 17 HD HIS 17 4.192 4.221 -4.600 128 HE1 HIS 17 HE HIS 17 6.983 6.747 -6.545 129 H LYS 18 H LYS 18 3.212 1.028 -9.089 130 HA LYS 18 HA LYS 18 3.039 3.656 -10.526 131 1HB LYS 18 1HB LYS 18 4.609 3.306 -11.855 132 2HB LYS 18 2HB LYS 18 5.116 1.947 -10.889 133 1HG LYS 18 1HG LYS 18 3.005 1.675 -13.051 134 2HG LYS 18 2HG LYS 18 4.705 1.698 -13.417 135 1HD LYS 18 1HD LYS 18 5.219 -0.323 -12.453 136 2HD LYS 18 2HD LYS 18 3.984 -0.167 -11.219 137 1HE LYS 18 1HE LYS 18 2.216 -0.588 -13.000 138 2HE LYS 18 2HE LYS 18 3.522 -0.887 -14.153 139 1HZ LYS 18 1HZ LYS 18 4.263 -2.684 -12.697 140 2HZ LYS 18 2HZ LYS 18 3.071 -2.366 -11.632 141 3HZ LYS 18 3HZ LYS 18 2.681 -2.919 -13.125 142 H ALA 19 H ALA 19 2.072 0.226 -10.521 143 HA ALA 19 HA ALA 19 -0.298 0.388 -12.073 144 1HB ALA 19 1HB ALA 19 0.147 -1.126 -9.498 145 2HB ALA 19 2HB ALA 19 -1.110 -1.437 -10.708 146 3HB ALA 19 3HB ALA 19 0.599 -1.700 -11.129 147 H HIS 20 H HIS 20 0.329 0.988 -8.618 148 HA HIS 20 HA HIS 20 -2.316 1.804 -7.873 149 1HB HIS 20 1HB HIS 20 0.446 2.161 -6.644 150 2HB HIS 20 2HB HIS 20 -1.018 2.830 -5.929 151 HD1 HIS 20 HND HIS 20 0.151 -0.748 -6.975 152 HD2 HIS 20 HD HIS 20 -2.292 1.359 -4.315 153 HE1 HIS 20 HE HIS 20 -0.987 -2.499 -5.487 154 H ALA 21 H ALA 21 0.098 3.399 -9.742 155 HA ALA 21 HA ALA 21 -0.902 6.130 -9.089 156 1HB ALA 21 1HB ALA 21 1.565 5.703 -9.199 157 2HB ALA 21 2HB ALA 21 1.385 5.333 -10.921 158 3HB ALA 21 3HB ALA 21 0.954 6.941 -10.334 159 H GLU 22 H GLU 22 -0.560 3.904 -11.840 160 HA GLU 22 HA GLU 22 -1.689 5.726 -13.758 161 1HB GLU 22 1HB GLU 22 -1.516 3.911 -15.352 162 2HB GLU 22 2HB GLU 22 -0.054 3.979 -14.360 163 1HG GLU 22 1HG GLU 22 -1.104 2.165 -12.925 164 2HG GLU 22 2HG GLU 22 -2.325 1.965 -14.189 165 H LYS 23 H LYS 23 -2.966 2.922 -11.925 166 HA LYS 23 HA LYS 23 -5.567 2.859 -12.967 167 1HB LYS 23 1HB LYS 23 -4.478 2.318 -10.176 168 2HB LYS 23 2HB LYS 23 -6.095 1.835 -10.691 169 1HG LYS 23 1HG LYS 23 -3.610 0.964 -12.250 170 2HG LYS 23 2HG LYS 23 -4.115 0.122 -10.798 171 1HD LYS 23 1HD LYS 23 -6.353 0.600 -12.660 172 2HD LYS 23 2HD LYS 23 -5.009 -0.255 -13.433 173 1HE LYS 23 1HE LYS 23 -4.992 -1.970 -11.650 174 2HE LYS 23 2HE LYS 23 -6.203 -1.069 -10.726 175 1HZ LYS 23 1HZ LYS 23 -6.671 -2.463 -13.270 176 2HZ LYS 23 2HZ LYS 23 -7.176 -2.849 -11.741 177 3HZ LYS 23 3HZ LYS 23 -7.786 -1.523 -12.469 178 H LEU 24 H LEU 24 -4.326 4.725 -10.136 179 HA LEU 24 HA LEU 24 -6.918 6.035 -9.760 180 1HB LEU 24 1HB LEU 24 -4.196 6.201 -8.398 181 2HB LEU 24 2HB LEU 24 -5.579 7.200 -7.967 182 HG LEU 24 HG LEU 24 -5.144 5.297 -6.511 183 1HD1 LEU 24 1HD1 LEU 24 -7.507 4.631 -6.224 184 2HD1 LEU 24 2HD1 LEU 24 -7.369 6.361 -6.586 185 3HD1 LEU 24 3HD1 LEU 24 -7.886 5.222 -7.850 186 1HD2 LEU 24 1HD2 LEU 24 -4.505 3.582 -8.148 187 2HD2 LEU 24 2HD2 LEU 24 -5.732 3.035 -7.005 188 3HD2 LEU 24 3HD2 LEU 24 -6.213 3.454 -8.658 189 H GLY 25 H GLY 25 -3.538 7.137 -10.378 190 1HA GLY 25 1HA GLY 25 -3.632 9.160 -12.034 191 2HA GLY 25 2HA GLY 25 -4.446 9.932 -10.654 192 H CYS 26 H CYS 26 -3.335 9.885 -8.599 193 HA CYS 26 HA CYS 26 -0.696 9.163 -8.022 194 1HB CYS 26 1HB CYS 26 -0.211 10.927 -9.983 195 2HB CYS 26 2HB CYS 26 -0.697 12.104 -8.791 196 H ASP 27 H ASP 27 -2.968 11.677 -7.958 197 HA ASP 27 HA ASP 27 -2.986 13.198 -5.680 198 1HB ASP 27 1HB ASP 27 -5.427 13.173 -6.133 199 2HB ASP 27 2HB ASP 27 -4.479 13.459 -7.593 200 H ALA 28 H ALA 28 -4.283 10.007 -6.303 201 HA ALA 28 HA ALA 28 -5.545 9.211 -4.086 202 1HB ALA 28 1HB ALA 28 -5.264 7.787 -5.935 203 2HB ALA 28 2HB ALA 28 -3.496 7.727 -5.763 204 3HB ALA 28 3HB ALA 28 -4.544 6.903 -4.571 205 H CYS 29 H CYS 29 -1.984 9.341 -4.323 206 HA CYS 29 HA CYS 29 -1.806 8.883 -1.350 207 1HB CYS 29 1HB CYS 29 0.139 8.008 -3.443 208 2HB CYS 29 2HB CYS 29 0.264 7.730 -1.696 209 H HIS 30 H HIS 30 -0.602 10.760 -4.184 210 HA HIS 30 HA HIS 30 0.722 12.587 -2.232 211 1HB HIS 30 1HB HIS 30 1.904 11.833 -4.910 212 2HB HIS 30 2HB HIS 30 2.610 12.878 -3.691 213 HD1 HIS 30 HND HIS 30 4.070 11.614 -1.825 214 HD2 HIS 30 HD HIS 30 2.269 9.322 -4.820 215 HE1 HIS 30 HE HIS 30 5.493 9.463 -2.151 216 H GLU 31 H GLU 31 0.327 14.671 -2.667 217 HA GLU 31 HA GLU 31 -0.689 15.490 -5.330 218 1HB GLU 31 1HB GLU 31 -2.127 17.160 -4.024 219 2HB GLU 31 2HB GLU 31 -2.664 15.522 -4.360 220 1HG GLU 31 1HG GLU 31 -2.986 15.079 -2.292 221 2HG GLU 31 2HG GLU 31 -1.344 15.423 -1.769 222 H GLY 32 H GLY 32 -0.316 17.477 -2.422 223 1HA GLY 32 1HA GLY 32 0.961 19.591 -3.212 224 2HA GLY 32 2HA GLY 32 1.412 18.828 -1.684 225 H THR 33 H THR 33 3.066 16.868 -2.092 226 HA THR 33 HA THR 33 4.723 17.019 -4.377 227 HB THR 33 HB THR 33 5.623 19.056 -3.451 228 HG1 THR 33 HG1 THR 33 7.770 18.398 -3.298 229 1HG2 THR 33 1HG2 THR 33 5.036 18.713 -1.041 230 2HG2 THR 33 2HG2 THR 33 6.339 17.511 -0.921 231 3HG2 THR 33 3HG2 THR 33 6.718 19.201 -1.288 232 HA PRO 34 HA PRO 34 5.593 13.062 -2.277 233 1HB PRO 34 1HB PRO 34 6.792 11.726 -4.247 234 2HB PRO 34 2HB PRO 34 5.070 12.171 -4.377 235 1HG PRO 34 1HG PRO 34 7.422 13.575 -5.638 236 2HG PRO 34 2HG PRO 34 5.847 13.142 -6.370 237 1HD PRO 34 1HD PRO 34 6.456 15.649 -5.309 238 2HD PRO 34 2HD PRO 34 4.799 14.977 -5.407 239 H ALA 35 H ALA 35 7.286 12.593 -0.873 240 HA ALA 35 HA ALA 35 10.065 12.788 -1.768 241 1HB ALA 35 1HB ALA 35 9.678 15.097 -0.988 242 2HB ALA 35 2HB ALA 35 9.058 14.484 0.562 243 3HB ALA 35 3HB ALA 35 10.761 14.227 0.115 244 H LYS 36 H LYS 36 9.045 10.559 -1.528 245 HA LYS 36 HA LYS 36 8.514 8.647 -0.519 246 1HB LYS 36 1HB LYS 36 10.474 9.578 1.620 247 2HB LYS 36 2HB LYS 36 9.462 8.173 1.868 248 1HG LYS 36 1HG LYS 36 10.447 7.505 -0.574 249 2HG LYS 36 2HG LYS 36 11.784 8.471 0.043 250 1HD LYS 36 1HD LYS 36 10.401 6.024 1.259 251 2HD LYS 36 2HD LYS 36 11.965 6.070 0.448 252 1HE LYS 36 1HE LYS 36 12.775 7.655 2.262 253 2HE LYS 36 2HE LYS 36 11.253 7.400 3.124 254 1HZ LYS 36 1HZ LYS 36 12.966 5.939 3.933 255 2HZ LYS 36 2HZ LYS 36 11.761 5.060 3.234 256 3HZ LYS 36 3HZ LYS 36 13.182 5.286 2.436 257 H ILE 37 H ILE 37 7.503 7.675 1.431 258 HA ILE 37 HA ILE 37 5.882 9.597 2.998 259 HB ILE 37 HB ILE 37 4.911 6.828 2.116 260 1HG1 ILE 37 1HG1 ILE 37 4.903 8.238 0.221 261 2HG1 ILE 37 2HG1 ILE 37 3.345 7.663 0.778 262 1HG2 ILE 37 1HG2 ILE 37 3.925 7.504 4.336 263 2HG2 ILE 37 2HG2 ILE 37 3.563 9.096 3.687 264 3HG2 ILE 37 3HG2 ILE 37 2.718 7.663 3.068 265 1HD1 ILE 37 1HD1 ILE 37 3.205 10.004 0.008 266 2HD1 ILE 37 2HD1 ILE 37 2.800 9.895 1.714 267 3HD1 ILE 37 3HD1 ILE 37 4.400 10.498 1.223 268 H ALA 38 H ALA 38 5.476 6.469 3.901 269 HA ALA 38 HA ALA 38 7.635 5.319 5.140 270 1HB ALA 38 1HB ALA 38 8.211 7.370 6.347 271 2HB ALA 38 2HB ALA 38 6.496 7.630 6.754 272 3HB ALA 38 3HB ALA 38 7.417 6.296 7.492 273 H ILE 39 H ILE 39 5.569 4.069 4.130 274 HA ILE 39 HA ILE 39 3.296 3.986 5.976 275 HB ILE 39 HB ILE 39 3.966 2.356 3.534 276 1HG1 ILE 39 1HG1 ILE 39 3.369 4.663 3.033 277 2HG1 ILE 39 2HG1 ILE 39 2.099 3.546 2.541 278 1HG2 ILE 39 1HG2 ILE 39 2.759 0.876 4.915 279 2HG2 ILE 39 2HG2 ILE 39 1.655 2.144 5.485 280 3HG2 ILE 39 3HG2 ILE 39 1.557 1.556 3.820 281 1HD1 ILE 39 1HD1 ILE 39 1.034 5.456 3.469 282 2HD1 ILE 39 2HD1 ILE 39 0.847 4.160 4.663 283 3HD1 ILE 39 3HD1 ILE 39 2.051 5.447 4.912 284 H ASP 40 H ASP 40 3.451 3.133 7.789 285 HA ASP 40 HA ASP 40 5.379 0.972 8.513 286 1HB ASP 40 1HB ASP 40 5.877 2.927 9.818 287 2HB ASP 40 2HB ASP 40 4.157 3.350 9.946 288 H LYS 41 H LYS 41 4.407 -0.194 10.418 289 HA LYS 41 HA LYS 41 2.171 -1.804 9.752 290 1HB LYS 41 1HB LYS 41 3.850 -2.396 11.437 291 2HB LYS 41 2HB LYS 41 3.352 -1.044 12.449 292 1HG LYS 41 1HG LYS 41 0.962 -2.565 11.958 293 2HG LYS 41 2HG LYS 41 2.237 -3.739 12.229 294 1HD LYS 41 1HD LYS 41 2.886 -2.612 14.323 295 2HD LYS 41 2HD LYS 41 1.621 -1.387 14.060 296 1HE LYS 41 1HE LYS 41 -0.130 -3.143 14.145 297 2HE LYS 41 2HE LYS 41 1.109 -4.394 14.348 298 1HZ LYS 41 1HZ LYS 41 0.568 -2.214 16.254 299 2HZ LYS 41 2HZ LYS 41 0.114 -3.785 16.431 300 3HZ LYS 41 3HZ LYS 41 1.710 -3.387 16.436 301 H LYS 42 H LYS 42 2.365 1.216 11.760 302 HA LYS 42 HA LYS 42 -0.386 1.125 12.525 303 1HB LYS 42 1HB LYS 42 1.464 3.534 12.280 304 2HB LYS 42 2HB LYS 42 -0.142 3.512 13.027 305 1HG LYS 42 1HG LYS 42 0.779 1.558 14.502 306 2HG LYS 42 2HG LYS 42 2.364 2.019 13.901 307 1HD LYS 42 1HD LYS 42 2.156 3.094 15.961 308 2HD LYS 42 2HD LYS 42 1.942 4.367 14.748 309 1HE LYS 42 1HE LYS 42 -0.501 4.340 15.082 310 2HE LYS 42 2HE LYS 42 -0.393 2.880 16.077 311 1HZ LYS 42 1HZ LYS 42 -0.682 4.830 17.401 312 2HZ LYS 42 2HZ LYS 42 0.781 4.155 17.726 313 3HZ LYS 42 3HZ LYS 42 0.689 5.517 16.805 314 H SER 43 H SER 43 1.003 3.411 10.031 315 HA SER 43 HA SER 43 -1.429 4.219 9.006 316 1HB SER 43 1HB SER 43 1.081 3.739 7.353 317 2HB SER 43 2HB SER 43 -0.186 4.952 7.078 318 HG SER 43 HG SER 43 0.455 5.944 9.017 319 H ALA 44 H ALA 44 0.583 1.505 7.832 320 HA ALA 44 HA ALA 44 -0.864 0.509 5.711 321 1HB ALA 44 1HB ALA 44 1.325 -0.290 6.513 322 2HB ALA 44 2HB ALA 44 0.549 -1.023 7.926 323 3HB ALA 44 3HB ALA 44 0.133 -1.624 6.311 324 H HIS 45 H HIS 45 -1.231 -0.451 9.153 325 HA HIS 45 HA HIS 45 -3.770 -1.854 8.541 326 1HB HIS 45 1HB HIS 45 -1.840 -1.928 10.884 327 2HB HIS 45 2HB HIS 45 -3.434 -2.643 10.925 328 HD1 HIS 45 HND HIS 45 -3.870 -4.866 9.853 329 HD2 HIS 45 HD HIS 45 -0.029 -3.320 9.093 330 HE1 HIS 45 HE HIS 45 -2.527 -6.738 8.833 331 H LYS 46 H LYS 46 -3.590 1.153 8.516 332 HA LYS 46 HA LYS 46 -5.885 1.547 10.387 333 1HB LYS 46 1HB LYS 46 -3.731 2.268 11.418 334 2HB LYS 46 2HB LYS 46 -3.548 3.506 10.173 335 1HG LYS 46 1HG LYS 46 -5.716 3.201 12.277 336 2HG LYS 46 2HG LYS 46 -4.324 4.282 12.327 337 1HD LYS 46 1HD LYS 46 -5.811 4.946 9.958 338 2HD LYS 46 2HD LYS 46 -6.964 4.749 11.260 339 1HE LYS 46 1HE LYS 46 -6.356 7.036 11.314 340 2HE LYS 46 2HE LYS 46 -5.467 6.315 12.659 341 1HZ LYS 46 1HZ LYS 46 -4.541 7.523 10.219 342 2HZ LYS 46 2HZ LYS 46 -3.692 7.328 11.625 343 3HZ LYS 46 3HZ LYS 46 -3.812 6.153 10.431 344 H ASP 47 H ASP 47 -3.930 3.494 8.139 345 HA ASP 47 HA ASP 47 -6.246 4.091 6.398 346 1HB ASP 47 1HB ASP 47 -5.834 6.496 6.546 347 2HB ASP 47 2HB ASP 47 -6.502 5.792 8.007 348 H ALA 48 H ALA 48 -4.475 2.474 5.524 349 HA ALA 48 HA ALA 48 -3.553 4.029 3.244 350 1HB ALA 48 1HB ALA 48 -1.488 2.535 4.930 351 2HB ALA 48 2HB ALA 48 -1.230 3.061 3.248 352 3HB ALA 48 3HB ALA 48 -1.533 4.252 4.523 353 H CYS 49 H CYS 49 -2.283 0.837 4.075 354 HA CYS 49 HA CYS 49 -3.321 -0.123 1.573 355 1HB CYS 49 1HB CYS 49 -2.179 -1.847 3.697 356 2HB CYS 49 2HB CYS 49 -2.082 -2.085 1.967 357 H LYS 50 H LYS 50 -4.022 -0.970 5.055 358 HA LYS 50 HA LYS 50 -6.387 -2.510 4.221 359 1HB LYS 50 1HB LYS 50 -5.329 -1.666 6.920 360 2HB LYS 50 2HB LYS 50 -6.753 -2.669 6.747 361 1HG LYS 50 1HG LYS 50 -4.176 -3.558 5.429 362 2HG LYS 50 2HG LYS 50 -4.335 -3.694 7.156 363 1HD LYS 50 1HD LYS 50 -4.874 -5.778 6.053 364 2HD LYS 50 2HD LYS 50 -6.186 -5.197 7.062 365 1HE LYS 50 1HE LYS 50 -6.143 -4.791 4.024 366 2HE LYS 50 2HE LYS 50 -6.737 -6.270 4.773 367 1HZ LYS 50 1HZ LYS 50 -8.511 -4.747 4.325 368 2HZ LYS 50 2HZ LYS 50 -8.387 -5.040 5.936 369 3HZ LYS 50 3HZ LYS 50 -7.861 -3.613 5.321 370 H THR 51 H THR 51 -6.774 -0.237 2.996 371 HA THR 51 HA THR 51 -9.195 0.754 4.307 372 HB THR 51 HB THR 51 -6.880 2.621 3.631 373 HG1 THR 51 HG1 THR 51 -7.757 1.462 5.848 374 1HG2 THR 51 1HG2 THR 51 -8.443 4.450 4.269 375 2HG2 THR 51 2HG2 THR 51 -8.908 3.679 2.747 376 3HG2 THR 51 3HG2 THR 51 -9.791 3.296 4.246 377 H CYS 52 H CYS 52 -7.020 1.567 1.501 378 HA CYS 52 HA CYS 52 -9.105 2.109 -0.288 379 1HB CYS 52 1HB CYS 52 -6.278 1.194 -0.545 380 2HB CYS 52 2HB CYS 52 -7.338 1.024 -1.947 381 H HIS 53 H HIS 53 -7.549 -1.086 0.276 382 HA HIS 53 HA HIS 53 -9.159 -2.315 -1.778 383 1HB HIS 53 1HB HIS 53 -7.723 -3.880 0.351 384 2HB HIS 53 2HB HIS 53 -7.985 -4.324 -1.306 385 HD1 HIS 53 HND HIS 53 -5.629 -2.501 1.000 386 HD2 HIS 53 HD HIS 53 -6.139 -2.923 -3.163 387 HE1 HIS 53 HE HIS 53 -3.476 -1.894 -0.076 388 H LYS 54 H LYS 54 -11.102 -1.160 -0.356 389 HA LYS 54 HA LYS 54 -12.188 -2.554 1.883 390 1HB LYS 54 1HB LYS 54 -13.554 -0.905 -0.297 391 2HB LYS 54 2HB LYS 54 -14.387 -1.585 1.096 392 1HG LYS 54 1HG LYS 54 -13.965 0.306 2.193 393 2HG LYS 54 2HG LYS 54 -12.326 -0.294 2.355 394 1HD LYS 54 1HD LYS 54 -12.079 1.918 1.542 395 2HD LYS 54 2HD LYS 54 -11.733 0.856 0.203 396 1HE LYS 54 1HE LYS 54 -13.034 2.620 -0.701 397 2HE LYS 54 2HE LYS 54 -14.117 1.230 -0.651 398 1HZ LYS 54 1HZ LYS 54 -15.179 3.205 0.152 399 2HZ LYS 54 2HZ LYS 54 -15.042 2.138 1.394 400 3HZ LYS 54 3HZ LYS 54 -14.031 3.436 1.305 401 H SER 55 H SER 55 -13.042 -2.797 -1.582 402 HA SER 55 HA SER 55 -14.117 -5.557 -1.125 403 1HB SER 55 1HB SER 55 -15.295 -3.435 -2.963 404 2HB SER 55 2HB SER 55 -15.953 -5.036 -2.585 405 HG SER 55 HG SER 55 -16.980 -3.439 -1.326 406 H ASN 56 H ASN 56 -11.490 -5.093 -1.850 407 HA ASN 56 HA ASN 56 -11.411 -5.708 -4.786 408 1HB ASN 56 1HB ASN 56 -9.234 -4.456 -3.074 409 2HB ASN 56 2HB ASN 56 -9.106 -4.908 -4.772 410 1HD2 ASN 56 1HD2 ASN 56 -8.457 -2.709 -5.316 411 2HD2 ASN 56 2HD2 ASN 56 -9.672 -1.445 -5.322 412 H ASN 57 H ASN 57 -10.376 -7.612 -5.249 413 HA ASN 57 HA ASN 57 -9.377 -9.608 -5.007 414 1HB ASN 57 1HB ASN 57 -7.725 -8.000 -3.659 415 2HB ASN 57 2HB ASN 57 -8.238 -8.980 -2.279 416 1HD2 ASN 57 1HD2 ASN 57 -5.629 -8.678 -3.676 417 2HD2 ASN 57 2HD2 ASN 57 -5.135 -10.216 -4.307 418 H GLY 58 H GLY 58 -9.126 -11.552 -3.276 419 1HA GLY 58 1HA GLY 58 -11.894 -12.090 -2.392 420 2HA GLY 58 2HA GLY 58 -10.564 -13.237 -2.612 421 HA PRO 59 HA PRO 59 -11.079 -12.301 2.001 422 1HB PRO 59 1HB PRO 59 -11.722 -14.862 2.786 423 2HB PRO 59 2HB PRO 59 -12.940 -13.634 2.324 424 1HG PRO 59 1HG PRO 59 -11.755 -15.808 0.580 425 2HG PRO 59 2HG PRO 59 -13.483 -15.400 0.794 426 1HD PRO 59 1HD PRO 59 -12.065 -14.478 -1.317 427 2HD PRO 59 2HD PRO 59 -13.249 -13.412 -0.508 428 H THR 60 H THR 60 -9.178 -12.500 3.118 429 HA THR 60 HA THR 60 -7.016 -14.341 2.334 430 HB THR 60 HB THR 60 -5.746 -12.023 2.018 431 HG1 THR 60 HG1 THR 60 -8.254 -11.232 0.988 432 1HG2 THR 60 1HG2 THR 60 -6.131 -12.007 -0.399 433 2HG2 THR 60 2HG2 THR 60 -5.915 -13.659 0.210 434 3HG2 THR 60 3HG2 THR 60 -7.534 -13.073 -0.215 435 H LYS 61 H LYS 61 -7.636 -11.165 3.696 436 HA LYS 61 HA LYS 61 -7.605 -10.247 5.778 437 1HB LYS 61 1HB LYS 61 -7.436 -13.095 6.850 438 2HB LYS 61 2HB LYS 61 -7.508 -11.653 7.848 439 1HG LYS 61 1HG LYS 61 -9.689 -11.171 7.330 440 2HG LYS 61 2HG LYS 61 -9.588 -11.845 5.700 441 1HD LYS 61 1HD LYS 61 -9.579 -14.137 6.604 442 2HD LYS 61 2HD LYS 61 -9.734 -13.492 8.255 443 1HE LYS 61 1HE LYS 61 -11.896 -12.424 7.655 444 2HE LYS 61 2HE LYS 61 -11.718 -12.954 5.975 445 1HZ LYS 61 1HZ LYS 61 -12.045 -14.740 8.293 446 2HZ LYS 61 2HZ LYS 61 -13.193 -14.371 7.177 447 3HZ LYS 61 3HZ LYS 61 -11.864 -15.226 6.729 448 H CYS 62 H CYS 62 -5.280 -12.933 5.725 449 HA CYS 62 HA CYS 62 -3.117 -10.916 5.745 450 1HB CYS 62 1HB CYS 62 -2.484 -13.598 6.804 451 2HB CYS 62 2HB CYS 62 -1.619 -12.053 6.947 452 H GLY 63 H GLY 63 -1.003 -12.380 5.076 453 1HA GLY 63 1HA GLY 63 0.001 -13.560 3.350 454 2HA GLY 63 2HA GLY 63 -1.582 -13.940 2.652 455 H GLY 64 H GLY 64 -2.790 -11.798 2.116 456 1HA GLY 64 1HA GLY 64 -2.508 -10.883 -0.233 457 2HA GLY 64 2HA GLY 64 -2.869 -9.701 1.033 458 H CYS 65 H CYS 65 -0.748 -8.937 2.194 459 HA CYS 65 HA CYS 65 0.839 -7.669 0.034 460 1HB CYS 65 1HB CYS 65 0.530 -6.944 2.932 461 2HB CYS 65 2HB CYS 65 1.138 -5.904 1.630 462 H HIS 66 H HIS 66 1.257 -9.337 3.150 463 HA HIS 66 HA HIS 66 4.098 -8.919 3.296 464 1HB HIS 66 1HB HIS 66 2.251 -10.856 4.770 465 2HB HIS 66 2HB HIS 66 3.965 -10.701 5.087 466 HD1 HIS 66 HND HIS 66 4.749 -8.014 5.724 467 HD2 HIS 66 HD HIS 66 0.703 -9.120 6.177 468 HE1 HIS 66 HE HIS 66 3.668 -6.357 7.303 469 H ILE 67 H ILE 67 2.095 -11.540 2.101 470 HA ILE 67 HA ILE 67 2.498 -13.458 0.973 471 HB ILE 67 HB ILE 67 4.773 -11.807 -0.171 472 1HG1 ILE 67 1HG1 ILE 67 2.518 -10.711 -0.343 473 2HG1 ILE 67 2HG1 ILE 67 3.286 -11.077 -1.878 474 1HG2 ILE 67 1HG2 ILE 67 3.423 -14.331 -1.205 475 2HG2 ILE 67 2HG2 ILE 67 4.403 -13.245 -2.216 476 3HG2 ILE 67 3HG2 ILE 67 5.140 -14.087 -0.853 477 1HD1 ILE 67 1HD1 ILE 67 0.882 -11.552 -1.922 478 2HD1 ILE 67 2HD1 ILE 67 1.807 -13.025 -2.197 479 3HD1 ILE 67 3HD1 ILE 67 1.051 -12.729 -0.614 480 H LYS 68 H LYS 68 2.895 -14.703 2.884 481 HA LYS 68 HA LYS 68 5.470 -15.908 2.841 482 1HB LYS 68 1HB LYS 68 5.538 -13.937 4.601 483 2HB LYS 68 2HB LYS 68 4.387 -14.910 5.516 484 1HG LYS 68 1HG LYS 68 6.618 -15.297 6.343 485 2HG LYS 68 2HG LYS 68 6.052 -16.783 5.575 486 1HD LYS 68 1HD LYS 68 7.468 -14.887 3.752 487 2HD LYS 68 2HD LYS 68 8.475 -15.469 5.080 488 1HE LYS 68 1HE LYS 68 8.262 -17.751 4.447 489 2HE LYS 68 2HE LYS 68 6.881 -17.457 3.398 490 1HZ LYS 68 1HZ LYS 68 8.855 -17.770 2.127 491 2HZ LYS 68 2HZ LYS 68 8.300 -16.237 1.916 492 3HZ LYS 68 3HZ LYS 68 9.615 -16.513 2.870 493 HHA HEC 69 HCM HEC 69 8.441 6.959 -1.922 494 HHB HEC 69 HDM HEC 69 6.803 10.567 -6.953 495 HHC HEC 69 HAM HEC 69 1.289 7.304 -7.312 496 HHD HEC 69 HBM HEC 69 2.431 5.027 -1.491 497 1HMA HEC 69 HM81 HEC 69 8.919 11.572 -5.627 498 2HMA HEC 69 HM82 HEC 69 10.286 10.450 -5.527 499 3HMA HEC 69 HM83 HEC 69 9.171 10.335 -6.886 500 1HAA HEC 69 HP71 HEC 69 10.428 9.965 -3.307 501 2HAA HEC 69 HP72 HEC 69 10.024 8.624 -2.269 502 1HBA HEC 69 HP73 HEC 69 10.985 7.026 -3.784 503 2HBA HEC 69 HP74 HEC 69 11.188 8.261 -5.034 504 1HMB HEC 69 HM11 HEC 69 5.348 10.539 -9.707 505 2HMB HEC 69 HM12 HEC 69 3.987 11.548 -9.152 506 3HMB HEC 69 HM13 HEC 69 5.512 11.638 -8.319 507 HAB HEC 69 HT2A HEC 69 1.271 8.732 -8.821 508 1HBB HEC 69 HT21 HEC 69 2.874 10.474 -10.682 509 2HBB HEC 69 HT22 HEC 69 2.889 8.702 -10.730 510 3HBB HEC 69 HT23 HEC 69 1.380 9.586 -10.971 511 1HMC HEC 69 HM31 HEC 69 -0.885 6.961 -5.894 512 2HMC HEC 69 HM32 HEC 69 -0.249 5.613 -6.859 513 3HMC HEC 69 HM33 HEC 69 -1.210 5.295 -5.419 514 HAC HEC 69 HT4A HEC 69 0.339 4.937 -1.805 515 1HBC HEC 69 HT41 HEC 69 -1.025 3.187 -2.280 516 2HBC HEC 69 HT42 HEC 69 -1.434 3.753 -3.895 517 3HBC HEC 69 HT43 HEC 69 0.162 3.027 -3.580 518 1HMD HEC 69 HM51 HEC 69 4.250 3.572 -0.039 519 2HMD HEC 69 HM52 HEC 69 5.003 4.588 1.201 520 3HMD HEC 69 HM53 HEC 69 3.395 5.001 0.605 521 1HAD HEC 69 HP61 HEC 69 8.160 6.367 0.075 522 2HAD HEC 69 HP62 HEC 69 6.929 5.762 1.142 523 1HBD HEC 69 HP63 HEC 69 8.541 4.055 1.000 524 2HBD HEC 69 HP64 HEC 69 7.196 3.535 -0.034 525 HHA HEC 70 HCM HEC 70 -4.060 -4.830 -6.286 526 HHB HEC 70 HDM HEC 70 -0.121 -4.465 -1.247 527 HHC HEC 70 HAM HEC 70 -2.081 1.467 -0.120 528 HHD HEC 70 HBM HEC 70 -6.299 0.938 -4.885 529 1HMA HEC 70 HM81 HEC 70 0.634 -6.145 -2.828 530 2HMA HEC 70 HM82 HEC 70 -0.685 -6.969 -1.956 531 3HMA HEC 70 HM83 HEC 70 -0.298 -7.414 -3.625 532 1HAA HEC 70 HP71 HEC 70 -2.846 -6.621 -6.295 533 2HAA HEC 70 HP72 HEC 70 -1.311 -7.173 -5.679 534 1HBA HEC 70 HP73 HEC 70 -2.492 -8.286 -3.778 535 2HBA HEC 70 HP74 HEC 70 -4.024 -7.715 -4.450 536 1HMB HEC 70 HM11 HEC 70 1.401 -2.239 1.340 537 2HMB HEC 70 HM12 HEC 70 0.227 -3.561 1.284 538 3HMB HEC 70 HM13 HEC 70 1.480 -3.427 0.034 539 HAB HEC 70 HT2A HEC 70 -0.654 1.075 1.256 540 1HBB HEC 70 HT21 HEC 70 2.070 -0.161 1.457 541 2HBB HEC 70 HT22 HEC 70 1.595 0.775 0.029 542 3HBB HEC 70 HT23 HEC 70 1.545 1.516 1.622 543 1HMC HEC 70 HM31 HEC 70 -4.175 3.106 0.141 544 2HMC HEC 70 HM32 HEC 70 -2.772 3.648 -0.812 545 3HMC HEC 70 HM33 HEC 70 -4.381 4.248 -1.188 546 HAC HEC 70 HT4A HEC 70 -6.885 2.552 -3.661 547 1HBC HEC 70 HT41 HEC 70 -6.638 4.928 -3.920 548 2HBC HEC 70 HT42 HEC 70 -5.009 4.882 -3.209 549 3HBC HEC 70 HT43 HEC 70 -5.342 4.011 -4.722 550 1HMD HEC 70 HM51 HEC 70 -6.451 0.544 -7.246 551 2HMD HEC 70 HM52 HEC 70 -7.209 -0.889 -7.979 552 3HMD HEC 70 HM53 HEC 70 -7.827 -0.238 -6.446 553 1HAD HEC 70 HP61 HEC 70 -5.716 -2.557 -8.688 554 2HAD HEC 70 HP62 HEC 70 -5.122 -4.072 -8.061 555 1HBD HEC 70 HP63 HEC 70 -7.296 -4.694 -7.229 556 2HBD HEC 70 HP64 HEC 70 -7.956 -3.090 -7.564 557 HHA HEC 71 HCM HEC 71 3.907 -3.841 9.335 558 HHB HEC 71 HDM HEC 71 0.828 -8.945 11.711 559 HHC HEC 71 HAM HEC 71 -2.769 -9.101 6.461 560 HHD HEC 71 HBM HEC 71 0.292 -4.114 4.087 561 1HMA HEC 71 HM81 HEC 71 2.972 -6.534 13.721 562 2HMA HEC 71 HM82 HEC 71 1.647 -7.661 13.431 563 3HMA HEC 71 HM83 HEC 71 3.337 -8.162 13.181 564 1HAA HEC 71 HP71 HEC 71 4.865 -4.367 11.163 565 2HAA HEC 71 HP72 HEC 71 4.384 -4.951 12.741 566 1HBA HEC 71 HP73 HEC 71 5.883 -6.651 10.717 567 2HBA HEC 71 HP74 HEC 71 6.701 -5.519 11.796 568 1HMB HEC 71 HM11 HEC 71 0.005 -11.205 11.306 569 2HMB HEC 71 HM12 HEC 71 -1.412 -10.395 12.022 570 3HMB HEC 71 HM13 HEC 71 -1.620 -11.733 10.867 571 HAB HEC 71 HT2A HEC 71 -3.813 -10.087 8.003 572 1HBB HEC 71 HT21 HEC 71 -5.143 -10.535 9.893 573 2HBB HEC 71 HT22 HEC 71 -3.734 -10.620 10.961 574 3HBB HEC 71 HT23 HEC 71 -4.175 -9.079 10.190 575 1HMC HEC 71 HM31 HEC 71 -2.628 -9.280 4.197 576 2HMC HEC 71 HM32 HEC 71 -4.002 -8.172 4.373 577 3HMC HEC 71 HM33 HEC 71 -2.963 -8.099 2.922 578 HAC HEC 71 HT4A HEC 71 -1.448 -4.394 2.951 579 1HBC HEC 71 HT41 HEC 71 -3.811 -4.693 3.580 580 2HBC HEC 71 HT42 HEC 71 -3.524 -4.526 1.840 581 3HBC HEC 71 HT43 HEC 71 -3.894 -6.112 2.517 582 1HMD HEC 71 HM51 HEC 71 3.373 -2.014 4.483 583 2HMD HEC 71 HM52 HEC 71 2.040 -2.868 3.686 584 3HMD HEC 71 HM53 HEC 71 1.714 -1.433 4.645 585 1HAD HEC 71 HP61 HEC 71 4.051 -1.302 6.556 586 2HAD HEC 71 HP62 HEC 71 4.005 -1.857 8.212 587 1HBD HEC 71 HP63 HEC 71 5.326 -3.943 7.051 588 2HBD HEC 71 HP64 HEC 71 5.906 -2.572 6.095 Start of MODEL 25 1 1H ALA 1 1H ALA 1 10.766 1.036 -6.346 2 2H ALA 1 2H ALA 1 11.975 2.144 -6.072 3 3H ALA 1 3H ALA 1 10.381 2.623 -6.188 4 HA ALA 1 HA ALA 1 11.631 3.149 -8.179 5 1HB ALA 1 1HB ALA 1 13.057 1.102 -8.138 6 2HB ALA 1 2HB ALA 1 11.633 0.107 -8.487 7 3HB ALA 1 3HB ALA 1 12.215 1.291 -9.678 8 H ASP 2 H ASP 2 10.232 1.046 -10.158 9 HA ASP 2 HA ASP 2 7.541 1.955 -10.139 10 1HB ASP 2 1HB ASP 2 7.423 0.079 -11.858 11 2HB ASP 2 2HB ASP 2 8.779 1.170 -12.197 12 H VAL 3 H VAL 3 9.417 -0.619 -8.668 13 HA VAL 3 HA VAL 3 7.022 -1.300 -7.008 14 HB VAL 3 HB VAL 3 7.562 -3.168 -8.457 15 1HG1 VAL 3 1HG1 VAL 3 10.392 -3.063 -7.322 16 2HG1 VAL 3 2HG1 VAL 3 9.727 -4.354 -8.337 17 3HG1 VAL 3 3HG1 VAL 3 9.914 -2.731 -9.002 18 1HG2 VAL 3 1HG2 VAL 3 7.836 -4.922 -6.839 19 2HG2 VAL 3 2HG2 VAL 3 8.583 -3.826 -5.668 20 3HG2 VAL 3 3HG2 VAL 3 6.867 -3.637 -6.103 21 H VAL 4 H VAL 4 7.497 -1.623 -4.734 22 HA VAL 4 HA VAL 4 10.301 -1.261 -3.850 23 HB VAL 4 HB VAL 4 7.867 0.140 -2.709 24 1HG1 VAL 4 1HG1 VAL 4 9.136 -0.691 -0.756 25 2HG1 VAL 4 2HG1 VAL 4 10.660 -0.153 -1.489 26 3HG1 VAL 4 3HG1 VAL 4 9.462 1.025 -0.935 27 1HG2 VAL 4 1HG2 VAL 4 8.941 1.396 -4.496 28 2HG2 VAL 4 2HG2 VAL 4 9.234 2.174 -2.933 29 3HG2 VAL 4 3HG2 VAL 4 10.524 1.210 -3.685 30 H THR 5 H THR 5 10.485 -2.268 -1.614 31 HA THR 5 HA THR 5 8.084 -3.535 -0.771 32 HB THR 5 HB THR 5 9.218 -5.396 -2.049 33 HG1 THR 5 HG1 THR 5 8.264 -5.451 0.261 34 1HG2 THR 5 1HG2 THR 5 11.587 -4.697 -1.798 35 2HG2 THR 5 2HG2 THR 5 11.519 -5.108 -0.070 36 3HG2 THR 5 3HG2 THR 5 11.319 -6.375 -1.288 37 H TYR 6 H TYR 6 7.847 -3.691 1.370 38 HA TYR 6 HA TYR 6 9.958 -2.503 3.119 39 1HB TYR 6 1HB TYR 6 7.152 -3.397 3.823 40 2HB TYR 6 2HB TYR 6 8.280 -2.530 4.852 41 HD1 TYR 6 HD1 TYR 6 5.486 -2.206 2.726 42 HD2 TYR 6 HD2 TYR 6 9.147 -0.188 3.759 43 HE1 TYR 6 HE1 TYR 6 4.500 -0.066 2.020 44 HE2 TYR 6 HE2 TYR 6 8.185 1.944 2.931 45 HH TYR 6 HH TYR 6 4.916 2.101 1.586 46 H GLU 7 H GLU 7 11.485 -4.205 3.188 47 HA GLU 7 HA GLU 7 10.718 -6.912 3.841 48 1HB GLU 7 1HB GLU 7 13.310 -5.503 4.341 49 2HB GLU 7 2HB GLU 7 13.040 -7.243 4.423 50 1HG GLU 7 1HG GLU 7 12.364 -7.167 1.967 51 2HG GLU 7 2HG GLU 7 12.912 -5.479 1.934 52 H ASN 8 H ASN 8 10.341 -7.770 5.843 53 HA ASN 8 HA ASN 8 10.698 -6.290 8.350 54 1HB ASN 8 1HB ASN 8 8.279 -6.340 8.824 55 2HB ASN 8 2HB ASN 8 8.566 -5.403 7.352 56 1HD2 ASN 8 1HD2 ASN 8 7.972 -6.335 5.286 57 2HD2 ASN 8 2HD2 ASN 8 6.946 -7.759 5.210 58 H LYS 9 H LYS 9 9.730 -7.784 10.157 59 HA LYS 9 HA LYS 9 11.115 -10.256 9.827 60 1HB LYS 9 1HB LYS 9 10.941 -9.025 11.967 61 2HB LYS 9 2HB LYS 9 9.207 -9.318 11.996 62 1HG LYS 9 1HG LYS 9 10.231 -10.852 13.514 63 2HG LYS 9 2HG LYS 9 9.593 -11.766 12.162 64 1HD LYS 9 1HD LYS 9 11.704 -12.684 12.775 65 2HD LYS 9 2HD LYS 9 11.899 -11.934 11.189 66 1HE LYS 9 1HE LYS 9 13.028 -9.991 12.188 67 2HE LYS 9 2HE LYS 9 12.621 -10.539 13.824 68 1HZ LYS 9 1HZ LYS 9 14.060 -12.423 13.493 69 2HZ LYS 9 2HZ LYS 9 14.443 -11.922 11.971 70 3HZ LYS 9 3HZ LYS 9 14.881 -11.019 13.272 71 H LYS 10 H LYS 10 7.632 -9.443 9.679 72 HA LYS 10 HA LYS 10 6.828 -12.210 10.026 73 1HB LYS 10 1HB LYS 10 4.810 -11.471 10.402 74 2HB LYS 10 2HB LYS 10 5.635 -9.956 10.614 75 1HG LYS 10 1HG LYS 10 3.737 -9.457 9.394 76 2HG LYS 10 2HG LYS 10 5.038 -9.315 8.249 77 1HD LYS 10 1HD LYS 10 2.796 -10.430 7.601 78 2HD LYS 10 2HD LYS 10 4.281 -11.171 7.003 79 1HE LYS 10 1HE LYS 10 4.130 -12.952 8.665 80 2HE LYS 10 2HE LYS 10 2.799 -12.146 9.485 81 1HZ LYS 10 1HZ LYS 10 1.453 -12.554 7.516 82 2HZ LYS 10 2HZ LYS 10 2.737 -13.122 6.685 83 3HZ LYS 10 3HZ LYS 10 2.169 -13.989 7.915 84 H GLY 11 H GLY 11 7.284 -10.085 7.217 85 1HA GLY 11 1HA GLY 11 8.024 -12.040 5.402 86 2HA GLY 11 2HA GLY 11 6.248 -11.983 5.292 87 H ASN 12 H ASN 12 8.951 -10.710 3.933 88 HA ASN 12 HA ASN 12 8.920 -8.037 3.562 89 1HB ASN 12 1HB ASN 12 8.932 -9.964 1.220 90 2HB ASN 12 2HB ASN 12 9.615 -8.341 1.274 91 1HD2 ASN 12 1HD2 ASN 12 10.684 -9.076 4.179 92 2HD2 ASN 12 2HD2 ASN 12 12.164 -9.898 3.724 93 H VAL 13 H VAL 13 7.354 -6.516 3.072 94 HA VAL 13 HA VAL 13 4.845 -7.390 1.701 95 HB VAL 13 HB VAL 13 5.553 -4.745 3.032 96 1HG1 VAL 13 1HG1 VAL 13 2.955 -4.522 2.645 97 2HG1 VAL 13 2HG1 VAL 13 4.039 -4.170 1.290 98 3HG1 VAL 13 3HG1 VAL 13 3.207 -5.731 1.383 99 1HG2 VAL 13 1HG2 VAL 13 3.574 -6.917 3.770 100 2HG2 VAL 13 2HG2 VAL 13 5.147 -6.641 4.577 101 3HG2 VAL 13 3HG2 VAL 13 3.886 -5.416 4.668 102 H THR 14 H THR 14 5.345 -7.597 -0.441 103 HA THR 14 HA THR 14 6.958 -5.607 -1.857 104 HB THR 14 HB THR 14 5.088 -7.744 -2.959 105 HG1 THR 14 HG1 THR 14 7.656 -7.851 -1.848 106 1HG2 THR 14 1HG2 THR 14 7.533 -6.328 -4.132 107 2HG2 THR 14 2HG2 THR 14 6.644 -7.663 -4.893 108 3HG2 THR 14 3HG2 THR 14 5.844 -6.104 -4.645 109 H PHE 15 H PHE 15 6.153 -3.795 -2.954 110 HA PHE 15 HA PHE 15 3.300 -3.799 -3.581 111 1HB PHE 15 1HB PHE 15 2.811 -1.619 -2.745 112 2HB PHE 15 2HB PHE 15 3.260 -2.713 -1.441 113 HD1 PHE 15 HD1 PHE 15 5.613 -2.567 -0.453 114 HD2 PHE 15 HD2 PHE 15 3.959 0.442 -3.069 115 HE1 PHE 15 HE1 PHE 15 7.211 -0.901 0.435 116 HE2 PHE 15 HE2 PHE 15 5.520 2.118 -2.120 117 HZ PHE 15 HZ PHE 15 7.078 1.454 -0.291 118 H ASP 16 H ASP 16 3.405 -3.727 -5.676 119 HA ASP 16 HA ASP 16 4.435 -2.192 -7.602 120 1HB ASP 16 1HB ASP 16 1.636 -2.464 -6.450 121 2HB ASP 16 2HB ASP 16 1.958 -1.701 -8.008 122 H HIS 17 H HIS 17 5.062 -0.132 -7.773 123 HA HIS 17 HA HIS 17 3.777 2.004 -6.123 124 1HB HIS 17 1HB HIS 17 6.241 1.704 -5.782 125 2HB HIS 17 2HB HIS 17 6.503 1.963 -7.490 126 HD1 HIS 17 HND HIS 17 7.421 4.305 -7.814 127 HD2 HIS 17 HD HIS 17 4.411 4.018 -4.892 128 HE1 HIS 17 HE HIS 17 6.835 6.723 -7.066 129 H LYS 18 H LYS 18 5.448 1.614 -9.259 130 HA LYS 18 HA LYS 18 4.177 3.751 -10.611 131 1HB LYS 18 1HB LYS 18 6.183 2.968 -11.489 132 2HB LYS 18 2HB LYS 18 5.637 1.266 -11.478 133 1HG LYS 18 1HG LYS 18 4.244 1.576 -13.338 134 2HG LYS 18 2HG LYS 18 4.386 3.355 -13.242 135 1HD LYS 18 1HD LYS 18 6.725 3.234 -13.923 136 2HD LYS 18 2HD LYS 18 6.720 1.472 -13.749 137 1HE LYS 18 1HE LYS 18 6.595 2.234 -16.150 138 2HE LYS 18 2HE LYS 18 5.295 1.145 -15.642 139 1HZ LYS 18 1HZ LYS 18 3.837 2.973 -15.416 140 2HZ LYS 18 2HZ LYS 18 4.990 4.072 -15.828 141 3HZ LYS 18 3HZ LYS 18 4.430 2.961 -16.919 142 H ALA 19 H ALA 19 3.458 0.235 -10.732 143 HA ALA 19 HA ALA 19 1.252 0.303 -12.442 144 1HB ALA 19 1HB ALA 19 2.234 -1.769 -11.657 145 2HB ALA 19 2HB ALA 19 1.739 -1.354 -10.006 146 3HB ALA 19 3HB ALA 19 0.502 -1.741 -11.216 147 H HIS 20 H HIS 20 1.104 0.536 -8.811 148 HA HIS 20 HA HIS 20 -1.692 1.132 -8.627 149 1HB HIS 20 1HB HIS 20 0.708 1.707 -6.863 150 2HB HIS 20 2HB HIS 20 -0.841 2.450 -6.529 151 HD1 HIS 20 HND HIS 20 0.098 -1.215 -7.369 152 HD2 HIS 20 HD HIS 20 -2.094 1.092 -4.620 153 HE1 HIS 20 HE HIS 20 -0.919 -2.819 -5.733 154 H ALA 21 H ALA 21 1.181 3.068 -9.296 155 HA ALA 21 HA ALA 21 -0.008 5.632 -8.983 156 1HB ALA 21 1HB ALA 21 2.483 5.101 -9.145 157 2HB ALA 21 2HB ALA 21 2.267 5.130 -10.919 158 3HB ALA 21 3HB ALA 21 1.884 6.528 -9.970 159 H GLU 22 H GLU 22 0.305 3.673 -11.899 160 HA GLU 22 HA GLU 22 -1.065 5.679 -13.541 161 1HB GLU 22 1HB GLU 22 -0.841 4.069 -15.380 162 2HB GLU 22 2HB GLU 22 0.677 4.503 -14.579 163 1HG GLU 22 1HG GLU 22 0.416 2.261 -13.306 164 2HG GLU 22 2HG GLU 22 -0.803 1.859 -14.519 165 H LYS 23 H LYS 23 -1.904 2.431 -12.213 166 HA LYS 23 HA LYS 23 -4.521 2.200 -13.100 167 1HB LYS 23 1HB LYS 23 -3.162 1.575 -10.451 168 2HB LYS 23 2HB LYS 23 -4.770 0.985 -10.841 169 1HG LYS 23 1HG LYS 23 -2.372 0.426 -12.682 170 2HG LYS 23 2HG LYS 23 -2.733 -0.546 -11.227 171 1HD LYS 23 1HD LYS 23 -5.053 -0.826 -12.093 172 2HD LYS 23 2HD LYS 23 -4.535 -0.051 -13.615 173 1HE LYS 23 1HE LYS 23 -3.097 -1.894 -14.166 174 2HE LYS 23 2HE LYS 23 -3.020 -2.441 -12.480 175 1HZ LYS 23 1HZ LYS 23 -4.397 -3.893 -13.735 176 2HZ LYS 23 2HZ LYS 23 -5.224 -3.146 -12.549 177 3HZ LYS 23 3HZ LYS 23 -5.447 -2.665 -14.111 178 H LEU 24 H LEU 24 -3.312 4.049 -10.251 179 HA LEU 24 HA LEU 24 -6.117 4.790 -9.611 180 1HB LEU 24 1HB LEU 24 -3.636 4.929 -7.888 181 2HB LEU 24 2HB LEU 24 -5.318 5.053 -7.374 182 HG LEU 24 HG LEU 24 -4.125 2.523 -8.621 183 1HD1 LEU 24 1HD1 LEU 24 -4.091 1.654 -6.314 184 2HD1 LEU 24 2HD1 LEU 24 -2.949 2.970 -6.622 185 3HD1 LEU 24 3HD1 LEU 24 -4.407 3.305 -5.717 186 1HD2 LEU 24 1HD2 LEU 24 -6.484 2.539 -8.951 187 2HD2 LEU 24 2HD2 LEU 24 -6.144 1.470 -7.585 188 3HD2 LEU 24 3HD2 LEU 24 -6.795 3.103 -7.304 189 H GLY 25 H GLY 25 -2.811 6.322 -9.955 190 1HA GLY 25 1HA GLY 25 -2.856 8.661 -10.826 191 2HA GLY 25 2HA GLY 25 -3.999 8.975 -9.491 192 H CYS 26 H CYS 26 -1.831 10.306 -9.105 193 HA CYS 26 HA CYS 26 0.037 8.801 -7.324 194 1HB CYS 26 1HB CYS 26 -0.108 11.783 -7.736 195 2HB CYS 26 2HB CYS 26 1.203 10.835 -7.019 196 H ASP 27 H ASP 27 -2.645 10.988 -7.450 197 HA ASP 27 HA ASP 27 -2.557 12.183 -4.918 198 1HB ASP 27 1HB ASP 27 -5.104 11.654 -6.503 199 2HB ASP 27 2HB ASP 27 -4.687 13.055 -5.513 200 H ALA 28 H ALA 28 -4.083 9.415 -6.167 201 HA ALA 28 HA ALA 28 -5.582 7.945 -4.524 202 1HB ALA 28 1HB ALA 28 -4.546 7.228 -6.625 203 2HB ALA 28 2HB ALA 28 -2.947 7.268 -5.902 204 3HB ALA 28 3HB ALA 28 -4.128 6.047 -5.350 205 H CYS 29 H CYS 29 -2.088 8.479 -4.014 206 HA CYS 29 HA CYS 29 -2.383 7.664 -1.131 207 1HB CYS 29 1HB CYS 29 0.048 7.311 -2.882 208 2HB CYS 29 2HB CYS 29 -0.207 6.709 -1.229 209 H HIS 30 H HIS 30 -0.634 9.690 -3.506 210 HA HIS 30 HA HIS 30 0.821 11.119 -1.388 211 1HB HIS 30 1HB HIS 30 0.842 11.202 -4.419 212 2HB HIS 30 2HB HIS 30 1.795 12.270 -3.405 213 HD1 HIS 30 HND HIS 30 3.578 11.003 -1.723 214 HD2 HIS 30 HD HIS 30 2.001 8.901 -4.979 215 HE1 HIS 30 HE HIS 30 5.276 9.114 -2.355 216 H GLU 31 H GLU 31 -1.195 11.877 -0.501 217 HA GLU 31 HA GLU 31 -2.985 13.595 -1.734 218 1HB GLU 31 1HB GLU 31 -2.114 13.298 1.128 219 2HB GLU 31 2HB GLU 31 -3.237 14.603 0.686 220 1HG GLU 31 1HG GLU 31 -4.807 13.120 -0.294 221 2HG GLU 31 2HG GLU 31 -3.654 11.805 -0.348 222 H GLY 32 H GLY 32 -2.387 14.988 -3.030 223 1HA GLY 32 1HA GLY 32 -1.868 17.096 -3.864 224 2HA GLY 32 2HA GLY 32 -1.790 17.652 -2.185 225 H THR 33 H THR 33 0.181 15.324 -4.023 226 HA THR 33 HA THR 33 2.069 15.868 -5.279 227 HB THR 33 HB THR 33 3.025 17.779 -3.118 228 HG1 THR 33 HG1 THR 33 1.356 18.765 -4.083 229 1HG2 THR 33 1HG2 THR 33 4.000 17.358 -5.968 230 2HG2 THR 33 2HG2 THR 33 4.594 18.553 -4.808 231 3HG2 THR 33 3HG2 THR 33 4.860 16.835 -4.493 232 HA PRO 34 HA PRO 34 3.969 12.725 -2.722 233 1HB PRO 34 1HB PRO 34 5.873 11.717 -4.363 234 2HB PRO 34 2HB PRO 34 4.141 11.497 -4.728 235 1HG PRO 34 1HG PRO 34 5.947 13.606 -5.812 236 2HG PRO 34 2HG PRO 34 4.832 12.499 -6.691 237 1HD PRO 34 1HD PRO 34 4.105 15.042 -6.078 238 2HD PRO 34 2HD PRO 34 2.926 13.701 -5.991 239 H ALA 35 H ALA 35 5.711 12.434 -1.357 240 HA ALA 35 HA ALA 35 8.272 13.720 -1.773 241 1HB ALA 35 1HB ALA 35 7.016 15.640 -0.843 242 2HB ALA 35 2HB ALA 35 6.467 14.638 0.517 243 3HB ALA 35 3HB ALA 35 8.191 15.032 0.338 244 H LYS 36 H LYS 36 7.824 11.187 -1.867 245 HA LYS 36 HA LYS 36 7.949 9.102 -1.024 246 1HB LYS 36 1HB LYS 36 8.785 10.205 1.699 247 2HB LYS 36 2HB LYS 36 8.907 8.568 1.110 248 1HG LYS 36 1HG LYS 36 10.342 9.803 -0.856 249 2HG LYS 36 2HG LYS 36 10.540 11.008 0.405 250 1HD LYS 36 1HD LYS 36 12.399 9.413 0.319 251 2HD LYS 36 2HD LYS 36 11.559 9.309 1.881 252 1HE LYS 36 1HE LYS 36 11.003 7.117 1.538 253 2HE LYS 36 2HE LYS 36 10.367 7.467 -0.079 254 1HZ LYS 36 1HZ LYS 36 12.024 5.954 -0.295 255 2HZ LYS 36 2HZ LYS 36 12.499 7.363 -0.986 256 3HZ LYS 36 3HZ LYS 36 13.169 6.889 0.462 257 H ILE 37 H ILE 37 6.914 7.811 1.037 258 HA ILE 37 HA ILE 37 4.903 9.420 2.399 259 HB ILE 37 HB ILE 37 3.994 6.668 1.546 260 1HG1 ILE 37 1HG1 ILE 37 3.454 9.250 0.061 261 2HG1 ILE 37 2HG1 ILE 37 4.303 7.797 -0.535 262 1HG2 ILE 37 1HG2 ILE 37 1.811 7.543 2.227 263 2HG2 ILE 37 2HG2 ILE 37 2.968 7.873 3.519 264 3HG2 ILE 37 3HG2 ILE 37 2.481 9.172 2.417 265 1HD1 ILE 37 1HD1 ILE 37 2.118 7.766 -1.468 266 2HD1 ILE 37 2HD1 ILE 37 2.116 6.539 -0.184 267 3HD1 ILE 37 3HD1 ILE 37 1.349 8.124 0.082 268 H ALA 38 H ALA 38 6.267 6.232 2.032 269 HA ALA 38 HA ALA 38 7.320 4.763 3.394 270 1HB ALA 38 1HB ALA 38 8.700 6.655 4.079 271 2HB ALA 38 2HB ALA 38 7.586 7.014 5.419 272 3HB ALA 38 3HB ALA 38 8.463 5.474 5.388 273 H ILE 39 H ILE 39 5.425 3.543 3.415 274 HA ILE 39 HA ILE 39 3.467 4.023 5.593 275 HB ILE 39 HB ILE 39 3.334 2.462 3.018 276 1HG1 ILE 39 1HG1 ILE 39 3.111 4.861 2.710 277 2HG1 ILE 39 2HG1 ILE 39 1.552 4.069 2.555 278 1HG2 ILE 39 1HG2 ILE 39 0.873 2.207 3.711 279 2HG2 ILE 39 2HG2 ILE 39 2.059 1.126 4.425 280 3HG2 ILE 39 3HG2 ILE 39 1.441 2.506 5.366 281 1HD1 ILE 39 1HD1 ILE 39 1.077 6.013 3.778 282 2HD1 ILE 39 2HD1 ILE 39 1.116 4.756 5.013 283 3HD1 ILE 39 3HD1 ILE 39 2.504 5.845 4.807 284 H ASP 40 H ASP 40 4.305 3.359 7.279 285 HA ASP 40 HA ASP 40 5.626 0.719 7.642 286 1HB ASP 40 1HB ASP 40 5.047 2.939 9.662 287 2HB ASP 40 2HB ASP 40 6.038 1.503 9.945 288 H LYS 41 H LYS 41 4.817 -0.568 9.551 289 HA LYS 41 HA LYS 41 2.313 -1.536 9.289 290 1HB LYS 41 1HB LYS 41 2.518 -2.247 11.712 291 2HB LYS 41 2HB LYS 41 3.680 -2.797 10.545 292 1HG LYS 41 1HG LYS 41 5.417 -2.070 11.630 293 2HG LYS 41 2HG LYS 41 4.777 -0.437 11.837 294 1HD LYS 41 1HD LYS 41 3.574 -1.015 13.802 295 2HD LYS 41 2HD LYS 41 3.782 -2.753 13.559 296 1HE LYS 41 1HE LYS 41 6.198 -0.935 13.926 297 2HE LYS 41 2HE LYS 41 5.278 -1.523 15.317 298 1HZ LYS 41 1HZ LYS 41 6.520 -3.388 13.336 299 2HZ LYS 41 2HZ LYS 41 7.166 -2.955 14.760 300 3HZ LYS 41 3HZ LYS 41 5.753 -3.768 14.683 301 H LYS 42 H LYS 42 3.200 0.986 11.576 302 HA LYS 42 HA LYS 42 0.823 1.537 12.885 303 1HB LYS 42 1HB LYS 42 2.930 3.450 11.762 304 2HB LYS 42 2HB LYS 42 1.579 3.982 12.754 305 1HG LYS 42 1HG LYS 42 2.411 2.369 14.582 306 2HG LYS 42 2HG LYS 42 3.846 2.126 13.567 307 1HD LYS 42 1HD LYS 42 4.492 3.855 15.053 308 2HD LYS 42 2HD LYS 42 4.105 4.670 13.534 309 1HE LYS 42 1HE LYS 42 1.658 4.885 14.705 310 2HE LYS 42 2HE LYS 42 2.589 4.617 16.173 311 1HZ LYS 42 1HZ LYS 42 3.025 6.764 14.194 312 2HZ LYS 42 2HZ LYS 42 2.318 6.936 15.666 313 3HZ LYS 42 3HZ LYS 42 3.915 6.555 15.565 314 H SER 43 H SER 43 1.752 2.820 9.649 315 HA SER 43 HA SER 43 -0.825 4.234 9.425 316 1HB SER 43 1HB SER 43 1.461 3.962 7.428 317 2HB SER 43 2HB SER 43 0.126 5.134 7.401 318 HG SER 43 HG SER 43 2.107 5.961 8.322 319 H ALA 44 H ALA 44 1.036 1.737 7.761 320 HA ALA 44 HA ALA 44 -0.469 0.890 5.658 321 1HB ALA 44 1HB ALA 44 0.682 -1.192 5.898 322 2HB ALA 44 2HB ALA 44 1.807 0.127 6.368 323 3HB ALA 44 3HB ALA 44 1.046 -0.877 7.600 324 H HIS 45 H HIS 45 -0.684 -0.472 8.982 325 HA HIS 45 HA HIS 45 -2.929 -2.142 8.151 326 1HB HIS 45 1HB HIS 45 -1.180 -1.937 10.571 327 2HB HIS 45 2HB HIS 45 -2.811 -2.538 10.799 328 HD1 HIS 45 HND HIS 45 -3.012 -5.029 10.598 329 HD2 HIS 45 HD HIS 45 0.098 -3.411 8.272 330 HE1 HIS 45 HE HIS 45 -1.883 -6.972 9.455 331 H LYS 46 H LYS 46 -2.685 1.089 9.247 332 HA LYS 46 HA LYS 46 -5.253 0.999 10.735 333 1HB LYS 46 1HB LYS 46 -3.254 1.976 11.749 334 2HB LYS 46 2HB LYS 46 -3.119 3.159 10.450 335 1HG LYS 46 1HG LYS 46 -5.451 2.936 12.412 336 2HG LYS 46 2HG LYS 46 -4.044 4.001 12.584 337 1HD LYS 46 1HD LYS 46 -4.629 4.994 10.311 338 2HD LYS 46 2HD LYS 46 -6.161 4.099 10.424 339 1HE LYS 46 1HE LYS 46 -6.701 5.278 12.533 340 2HE LYS 46 2HE LYS 46 -5.206 6.228 12.388 341 1HZ LYS 46 1HZ LYS 46 -7.196 7.364 11.496 342 2HZ LYS 46 2HZ LYS 46 -6.058 7.119 10.322 343 3HZ LYS 46 3HZ LYS 46 -7.360 6.161 10.377 344 H ASP 47 H ASP 47 -3.686 3.247 8.420 345 HA ASP 47 HA ASP 47 -5.906 3.138 6.555 346 1HB ASP 47 1HB ASP 47 -5.439 5.647 8.219 347 2HB ASP 47 2HB ASP 47 -6.080 5.714 6.586 348 H ALA 48 H ALA 48 -4.164 2.310 5.326 349 HA ALA 48 HA ALA 48 -3.255 4.472 3.684 350 1HB ALA 48 1HB ALA 48 -1.077 2.818 4.971 351 2HB ALA 48 2HB ALA 48 -0.856 3.889 3.568 352 3HB ALA 48 3HB ALA 48 -1.337 4.558 5.134 353 H CYS 49 H CYS 49 -2.640 0.947 4.206 354 HA CYS 49 HA CYS 49 -3.224 0.430 1.371 355 1HB CYS 49 1HB CYS 49 -2.400 -1.518 3.508 356 2HB CYS 49 2HB CYS 49 -2.262 -1.696 1.758 357 H LYS 50 H LYS 50 -4.206 -1.185 4.415 358 HA LYS 50 HA LYS 50 -6.258 -2.675 3.251 359 1HB LYS 50 1HB LYS 50 -5.609 -1.801 6.057 360 2HB LYS 50 2HB LYS 50 -7.156 -2.627 5.751 361 1HG LYS 50 1HG LYS 50 -6.176 -4.623 5.081 362 2HG LYS 50 2HG LYS 50 -4.703 -3.834 4.550 363 1HD LYS 50 1HD LYS 50 -4.190 -5.202 6.410 364 2HD LYS 50 2HD LYS 50 -3.904 -3.524 6.808 365 1HE LYS 50 1HE LYS 50 -6.392 -5.137 7.602 366 2HE LYS 50 2HE LYS 50 -4.968 -4.940 8.630 367 1HZ LYS 50 1HZ LYS 50 -6.709 -3.400 9.214 368 2HZ LYS 50 2HZ LYS 50 -5.393 -2.575 8.739 369 3HZ LYS 50 3HZ LYS 50 -6.669 -2.709 7.728 370 H THR 51 H THR 51 -6.485 0.603 4.575 371 HA THR 51 HA THR 51 -9.321 0.791 4.642 372 HB THR 51 HB THR 51 -7.708 2.301 5.704 373 HG1 THR 51 HG1 THR 51 -9.027 3.881 5.703 374 1HG2 THR 51 1HG2 THR 51 -7.422 3.638 2.964 375 2HG2 THR 51 2HG2 THR 51 -6.732 4.193 4.487 376 3HG2 THR 51 3HG2 THR 51 -6.141 2.691 3.749 377 H CYS 52 H CYS 52 -6.985 1.026 1.996 378 HA CYS 52 HA CYS 52 -8.922 2.089 0.071 379 1HB CYS 52 1HB CYS 52 -6.122 1.994 0.334 380 2HB CYS 52 2HB CYS 52 -6.473 0.831 -0.939 381 H HIS 53 H HIS 53 -7.023 -0.917 0.588 382 HA HIS 53 HA HIS 53 -8.215 -2.345 -1.532 383 1HB HIS 53 1HB HIS 53 -7.006 -3.371 1.053 384 2HB HIS 53 2HB HIS 53 -7.515 -4.388 -0.300 385 HD1 HIS 53 HND HIS 53 -4.784 -5.030 0.079 386 HD2 HIS 53 HD HIS 53 -5.857 -1.549 -2.053 387 HE1 HIS 53 HE HIS 53 -2.817 -4.375 -1.368 388 H LYS 54 H LYS 54 -9.462 -1.906 1.786 389 HA LYS 54 HA LYS 54 -11.500 -3.953 1.593 390 1HB LYS 54 1HB LYS 54 -11.107 -1.639 3.461 391 2HB LYS 54 2HB LYS 54 -12.485 -2.756 3.534 392 1HG LYS 54 1HG LYS 54 -11.016 -4.699 3.787 393 2HG LYS 54 2HG LYS 54 -9.595 -3.696 3.542 394 1HD LYS 54 1HD LYS 54 -9.858 -4.121 5.899 395 2HD LYS 54 2HD LYS 54 -10.024 -2.402 5.507 396 1HE LYS 54 1HE LYS 54 -11.657 -3.140 7.244 397 2HE LYS 54 2HE LYS 54 -12.432 -2.457 5.818 398 1HZ LYS 54 1HZ LYS 54 -12.883 -4.682 5.056 399 2HZ LYS 54 2HZ LYS 54 -12.136 -5.342 6.369 400 3HZ LYS 54 3HZ LYS 54 -13.512 -4.462 6.557 401 H SER 55 H SER 55 -11.998 -3.131 -0.720 402 HA SER 55 HA SER 55 -14.625 -1.900 -0.657 403 1HB SER 55 1HB SER 55 -14.050 -0.121 -2.317 404 2HB SER 55 2HB SER 55 -13.316 0.182 -0.732 405 HG SER 55 HG SER 55 -11.344 -0.324 -1.534 406 H ASN 56 H ASN 56 -11.934 -2.266 -2.890 407 HA ASN 56 HA ASN 56 -13.204 -3.855 -4.894 408 1HB ASN 56 1HB ASN 56 -10.279 -3.926 -4.018 409 2HB ASN 56 2HB ASN 56 -10.920 -4.570 -5.532 410 1HD2 ASN 56 1HD2 ASN 56 -9.843 -1.712 -3.890 411 2HD2 ASN 56 2HD2 ASN 56 -10.146 -0.598 -5.210 412 H ASN 57 H ASN 57 -12.578 -6.112 -5.341 413 HA ASN 57 HA ASN 57 -13.024 -7.863 -2.977 414 1HB ASN 57 1HB ASN 57 -14.271 -8.016 -5.277 415 2HB ASN 57 2HB ASN 57 -12.805 -8.825 -5.842 416 1HD2 ASN 57 1HD2 ASN 57 -15.824 -9.565 -4.970 417 2HD2 ASN 57 2HD2 ASN 57 -15.550 -11.042 -4.065 418 H GLY 58 H GLY 58 -11.572 -9.954 -3.101 419 1HA GLY 58 1HA GLY 58 -9.505 -10.866 -3.924 420 2HA GLY 58 2HA GLY 58 -8.736 -9.289 -3.851 421 HA PRO 59 HA PRO 59 -7.329 -10.634 0.035 422 1HB PRO 59 1HB PRO 59 -6.603 -8.315 1.369 423 2HB PRO 59 2HB PRO 59 -5.788 -8.838 -0.136 424 1HG PRO 59 1HG PRO 59 -8.084 -6.869 0.123 425 2HG PRO 59 2HG PRO 59 -6.538 -6.639 -0.759 426 1HD PRO 59 1HD PRO 59 -8.808 -7.433 -2.033 427 2HD PRO 59 2HD PRO 59 -7.214 -8.104 -2.491 428 H THR 60 H THR 60 -7.508 -10.656 2.313 429 HA THR 60 HA THR 60 -10.433 -10.819 2.808 430 HB THR 60 HB THR 60 -9.252 -12.418 1.087 431 HG1 THR 60 HG1 THR 60 -11.211 -12.691 1.507 432 1HG2 THR 60 1HG2 THR 60 -8.469 -14.513 1.936 433 2HG2 THR 60 2HG2 THR 60 -7.385 -13.223 2.470 434 3HG2 THR 60 3HG2 THR 60 -8.560 -13.943 3.605 435 H LYS 61 H LYS 61 -7.204 -11.787 3.998 436 HA LYS 61 HA LYS 61 -7.765 -10.392 6.440 437 1HB LYS 61 1HB LYS 61 -6.735 -12.333 7.831 438 2HB LYS 61 2HB LYS 61 -8.463 -12.239 7.563 439 1HG LYS 61 1HG LYS 61 -7.021 -13.923 5.553 440 2HG LYS 61 2HG LYS 61 -6.951 -14.488 7.226 441 1HD LYS 61 1HD LYS 61 -9.389 -14.405 7.423 442 2HD LYS 61 2HD LYS 61 -9.529 -13.763 5.779 443 1HE LYS 61 1HE LYS 61 -8.391 -15.884 4.933 444 2HE LYS 61 2HE LYS 61 -8.417 -16.503 6.590 445 1HZ LYS 61 1HZ LYS 61 -10.788 -15.788 4.984 446 2HZ LYS 61 2HZ LYS 61 -10.255 -17.311 5.295 447 3HZ LYS 61 3HZ LYS 61 -10.820 -16.378 6.523 448 H CYS 62 H CYS 62 -5.306 -12.889 5.700 449 HA CYS 62 HA CYS 62 -3.376 -10.705 5.134 450 1HB CYS 62 1HB CYS 62 -2.449 -13.418 5.906 451 2HB CYS 62 2HB CYS 62 -1.670 -11.830 6.088 452 H GLY 63 H GLY 63 -1.405 -12.126 3.986 453 1HA GLY 63 1HA GLY 63 -0.810 -13.511 2.189 454 2HA GLY 63 2HA GLY 63 -2.515 -13.801 1.815 455 H GLY 64 H GLY 64 -3.313 -11.062 1.775 456 1HA GLY 64 1HA GLY 64 -3.209 -10.269 -0.809 457 2HA GLY 64 2HA GLY 64 -3.349 -9.142 0.558 458 H CYS 65 H CYS 65 -0.714 -9.513 1.608 459 HA CYS 65 HA CYS 65 0.793 -7.849 -0.378 460 1HB CYS 65 1HB CYS 65 0.401 -7.218 2.529 461 2HB CYS 65 2HB CYS 65 1.015 -6.154 1.257 462 H HIS 66 H HIS 66 1.069 -9.354 2.884 463 HA HIS 66 HA HIS 66 3.968 -9.565 2.703 464 1HB HIS 66 1HB HIS 66 2.009 -11.091 4.472 465 2HB HIS 66 2HB HIS 66 3.748 -11.026 4.643 466 HD1 HIS 66 HND HIS 66 4.801 -8.676 5.571 467 HD2 HIS 66 HD HIS 66 0.596 -9.032 5.553 468 HE1 HIS 66 HE HIS 66 3.855 -6.881 7.137 469 H ILE 67 H ILE 67 4.971 -11.078 1.354 470 HA ILE 67 HA ILE 67 3.403 -13.393 0.417 471 HB ILE 67 HB ILE 67 6.311 -12.825 -0.178 472 1HG1 ILE 67 1HG1 ILE 67 5.143 -10.775 -0.773 473 2HG1 ILE 67 2HG1 ILE 67 5.587 -11.670 -2.214 474 1HG2 ILE 67 1HG2 ILE 67 5.667 -14.038 -2.310 475 2HG2 ILE 67 2HG2 ILE 67 5.584 -15.047 -0.867 476 3HG2 ILE 67 3HG2 ILE 67 4.096 -14.406 -1.561 477 1HD1 ILE 67 1HD1 ILE 67 2.786 -11.602 -0.994 478 2HD1 ILE 67 2HD1 ILE 67 3.343 -10.711 -2.415 479 3HD1 ILE 67 3HD1 ILE 67 3.255 -12.476 -2.472 480 H LYS 68 H LYS 68 3.410 -13.553 3.054 481 HA LYS 68 HA LYS 68 4.127 -16.088 3.712 482 1HB LYS 68 1HB LYS 68 6.549 -15.104 3.751 483 2HB LYS 68 2HB LYS 68 6.042 -14.170 5.145 484 1HG LYS 68 1HG LYS 68 5.648 -17.169 5.050 485 2HG LYS 68 2HG LYS 68 7.256 -16.515 5.314 486 1HD LYS 68 1HD LYS 68 6.893 -15.844 7.418 487 2HD LYS 68 2HD LYS 68 5.272 -15.256 7.119 488 1HE LYS 68 1HE LYS 68 5.946 -18.230 7.253 489 2HE LYS 68 2HE LYS 68 5.458 -17.294 8.672 490 1HZ LYS 68 1HZ LYS 68 3.691 -16.906 6.479 491 2HZ LYS 68 2HZ LYS 68 3.735 -18.495 6.971 492 3HZ LYS 68 3HZ LYS 68 3.357 -17.270 8.010 493 HHA HEC 69 HCM HEC 69 8.404 6.933 -2.272 494 HHB HEC 69 HDM HEC 69 6.464 10.619 -7.112 495 HHC HEC 69 HAM HEC 69 1.193 6.939 -7.593 496 HHD HEC 69 HBM HEC 69 2.593 4.548 -1.844 497 1HMA HEC 69 HM81 HEC 69 8.364 11.732 -5.793 498 2HMA HEC 69 HM82 HEC 69 9.886 10.862 -5.521 499 3HMA HEC 69 HM83 HEC 69 8.956 10.553 -6.991 500 1HAA HEC 69 HP71 HEC 69 10.158 10.023 -3.382 501 2HAA HEC 69 HP72 HEC 69 9.852 8.502 -2.565 502 1HBA HEC 69 HP73 HEC 69 10.800 7.249 -4.446 503 2HBA HEC 69 HP74 HEC 69 11.140 8.771 -5.287 504 1HMB HEC 69 HM11 HEC 69 5.205 10.225 -9.974 505 2HMB HEC 69 HM12 HEC 69 3.809 11.263 -9.622 506 3HMB HEC 69 HM13 HEC 69 5.285 11.465 -8.713 507 HAB HEC 69 HT2A HEC 69 1.158 8.376 -9.260 508 1HBB HEC 69 HT21 HEC 69 1.687 8.676 -11.518 509 2HBB HEC 69 HT22 HEC 69 3.050 9.746 -11.186 510 3HBB HEC 69 HT23 HEC 69 3.206 8.019 -10.866 511 1HMC HEC 69 HM31 HEC 69 -0.288 4.897 -6.969 512 2HMC HEC 69 HM32 HEC 69 -1.210 4.894 -5.472 513 3HMC HEC 69 HM33 HEC 69 -0.831 6.431 -6.238 514 HAC HEC 69 HT4A HEC 69 0.550 4.350 -2.075 515 1HBC HEC 69 HT41 HEC 69 -0.796 2.501 -2.690 516 2HBC HEC 69 HT42 HEC 69 -0.833 3.001 -4.381 517 3HBC HEC 69 HT43 HEC 69 0.680 2.407 -3.670 518 1HMD HEC 69 HM51 HEC 69 3.559 4.648 0.248 519 2HMD HEC 69 HM52 HEC 69 4.513 3.254 -0.284 520 3HMD HEC 69 HM53 HEC 69 5.183 4.414 0.886 521 1HAD HEC 69 HP61 HEC 69 8.021 6.381 -0.176 522 2HAD HEC 69 HP62 HEC 69 7.268 5.031 0.600 523 1HBD HEC 69 HP63 HEC 69 8.340 3.432 -0.770 524 2HBD HEC 69 HP64 HEC 69 8.862 4.663 -1.929 525 HHA HEC 70 HCM HEC 70 -3.592 -5.260 -6.261 526 HHB HEC 70 HDM HEC 70 0.589 -4.259 -1.526 527 HHC HEC 70 HAM HEC 70 -2.211 1.394 -0.300 528 HHD HEC 70 HBM HEC 70 -6.364 0.382 -5.019 529 1HMA HEC 70 HM81 HEC 70 1.480 -5.808 -3.144 530 2HMA HEC 70 HM82 HEC 70 0.346 -6.945 -2.368 531 3HMA HEC 70 HM83 HEC 70 0.759 -7.119 -4.083 532 1HAA HEC 70 HP71 HEC 70 -1.387 -7.905 -4.688 533 2HAA HEC 70 HP72 HEC 70 -2.782 -7.256 -5.526 534 1HBA HEC 70 HP73 HEC 70 -1.299 -6.351 -7.293 535 2HBA HEC 70 HP74 HEC 70 0.105 -7.016 -6.445 536 1HMB HEC 70 HM11 HEC 70 0.855 -2.391 1.681 537 2HMB HEC 70 HM12 HEC 70 0.941 -3.739 0.568 538 3HMB HEC 70 HM13 HEC 70 2.070 -2.373 0.395 539 HAB HEC 70 HT2A HEC 70 -0.579 1.219 0.959 540 1HBB HEC 70 HT21 HEC 70 1.625 1.468 1.653 541 2HBB HEC 70 HT22 HEC 70 2.007 -0.245 1.445 542 3HBB HEC 70 HT23 HEC 70 1.732 0.787 0.027 543 1HMC HEC 70 HM31 HEC 70 -4.337 3.220 -0.369 544 2HMC HEC 70 HM32 HEC 70 -2.845 3.448 -1.296 545 3HMC HEC 70 HM33 HEC 70 -4.376 4.070 -1.918 546 HAC HEC 70 HT4A HEC 70 -7.260 1.654 -3.382 547 1HBC HEC 70 HT41 HEC 70 -7.473 4.067 -4.043 548 2HBC HEC 70 HT42 HEC 70 -5.709 4.216 -3.940 549 3HBC HEC 70 HT43 HEC 70 -6.464 3.107 -5.119 550 1HMD HEC 70 HM51 HEC 70 -7.846 -2.202 -7.223 551 2HMD HEC 70 HM52 HEC 70 -7.599 -0.626 -6.487 552 3HMD HEC 70 HM53 HEC 70 -6.728 -1.048 -7.979 553 1HAD HEC 70 HP61 HEC 70 -5.679 -5.170 -7.252 554 2HAD HEC 70 HP62 HEC 70 -6.679 -3.963 -8.036 555 1HBD HEC 70 HP63 HEC 70 -3.693 -3.917 -8.497 556 2HBD HEC 70 HP64 HEC 70 -4.702 -5.114 -9.305 557 HHA HEC 71 HCM HEC 71 4.168 -4.271 9.088 558 HHB HEC 71 HDM HEC 71 1.052 -9.443 11.068 559 HHC HEC 71 HAM HEC 71 -2.804 -8.968 5.995 560 HHD HEC 71 HBM HEC 71 0.569 -4.050 3.844 561 1HMA HEC 71 HM81 HEC 71 2.203 -8.310 12.980 562 2HMA HEC 71 HM82 HEC 71 3.407 -9.251 12.063 563 3HMA HEC 71 HM83 HEC 71 3.899 -7.805 12.954 564 1HAA HEC 71 HP71 HEC 71 4.866 -4.678 11.082 565 2HAA HEC 71 HP72 HEC 71 4.467 -5.627 12.499 566 1HBA HEC 71 HP73 HEC 71 5.831 -7.502 11.575 567 2HBA HEC 71 HP74 HEC 71 6.199 -6.512 10.157 568 1HMB HEC 71 HM11 HEC 71 0.080 -11.555 10.597 569 2HMB HEC 71 HM12 HEC 71 -1.303 -10.758 11.379 570 3HMB HEC 71 HM13 HEC 71 -1.562 -12.019 10.153 571 HAB HEC 71 HT2A HEC 71 -3.800 -10.101 7.510 572 1HBB HEC 71 HT21 HEC 71 -4.112 -9.336 9.805 573 2HBB HEC 71 HT22 HEC 71 -5.068 -10.771 9.393 574 3HBB HEC 71 HT23 HEC 71 -3.625 -10.936 10.400 575 1HMC HEC 71 HM31 HEC 71 -4.072 -7.803 4.267 576 2HMC HEC 71 HM32 HEC 71 -3.353 -7.459 2.681 577 3HMC HEC 71 HM33 HEC 71 -2.813 -8.870 3.611 578 HAC HEC 71 HT4A HEC 71 -0.837 -4.462 2.409 579 1HBC HEC 71 HT41 HEC 71 -3.763 -5.190 2.539 580 2HBC HEC 71 HT42 HEC 71 -2.973 -3.749 3.227 581 3HBC HEC 71 HT43 HEC 71 -2.974 -3.993 1.480 582 1HMD HEC 71 HM51 HEC 71 2.164 -2.635 3.550 583 2HMD HEC 71 HM52 HEC 71 2.545 -1.340 4.684 584 3HMD HEC 71 HM53 HEC 71 3.796 -2.462 4.187 585 1HAD HEC 71 HP61 HEC 71 4.198 -1.415 6.575 586 2HAD HEC 71 HP62 HEC 71 4.461 -2.248 8.116 587 1HBD HEC 71 HP63 HEC 71 5.623 -3.185 5.496 588 2HBD HEC 71 HP64 HEC 71 6.475 -2.176 6.682 Start of MODEL 26 1 1H ALA 1 1H ALA 1 8.868 4.009 -5.970 2 2H ALA 1 2H ALA 1 9.970 5.178 -6.419 3 3H ALA 1 3H ALA 1 8.539 5.062 -7.179 4 HA ALA 1 HA ALA 1 10.172 4.115 -8.590 5 1HB ALA 1 1HB ALA 1 11.457 2.136 -7.832 6 2HB ALA 1 2HB ALA 1 11.815 3.556 -6.828 7 3HB ALA 1 3HB ALA 1 10.739 2.279 -6.215 8 H ASP 2 H ASP 2 9.547 2.212 -9.971 9 HA ASP 2 HA ASP 2 6.786 1.513 -9.567 10 1HB ASP 2 1HB ASP 2 7.131 0.351 -11.746 11 2HB ASP 2 2HB ASP 2 7.456 2.095 -11.746 12 H VAL 3 H VAL 3 7.140 0.546 -7.567 13 HA VAL 3 HA VAL 3 6.374 -1.381 -6.545 14 HB VAL 3 HB VAL 3 8.255 -3.043 -8.269 15 1HG1 VAL 3 1HG1 VAL 3 6.245 -3.838 -6.127 16 2HG1 VAL 3 2HG1 VAL 3 7.084 -4.956 -7.215 17 3HG1 VAL 3 3HG1 VAL 3 8.011 -4.017 -6.043 18 1HG2 VAL 3 1HG2 VAL 3 5.200 -3.036 -8.236 19 2HG2 VAL 3 2HG2 VAL 3 6.140 -2.228 -9.496 20 3HG2 VAL 3 3HG2 VAL 3 6.262 -3.976 -9.289 21 H VAL 4 H VAL 4 7.185 -1.782 -4.520 22 HA VAL 4 HA VAL 4 10.129 -1.568 -4.015 23 HB VAL 4 HB VAL 4 7.934 -0.010 -2.674 24 1HG1 VAL 4 1HG1 VAL 4 10.853 -0.372 -1.815 25 2HG1 VAL 4 2HG1 VAL 4 9.773 0.876 -1.169 26 3HG1 VAL 4 3HG1 VAL 4 9.423 -0.820 -0.868 27 1HG2 VAL 4 1HG2 VAL 4 10.480 0.848 -4.077 28 2HG2 VAL 4 2HG2 VAL 4 8.815 1.077 -4.669 29 3HG2 VAL 4 3HG2 VAL 4 9.361 1.931 -3.220 30 H THR 5 H THR 5 10.634 -2.480 -1.824 31 HA THR 5 HA THR 5 8.355 -3.736 -0.621 32 HB THR 5 HB THR 5 9.523 -5.697 -1.583 33 HG1 THR 5 HG1 THR 5 8.639 -5.502 0.589 34 1HG2 THR 5 1HG2 THR 5 11.779 -6.348 -0.848 35 2HG2 THR 5 2HG2 THR 5 11.842 -4.817 -1.741 36 3HG2 THR 5 3HG2 THR 5 11.969 -4.825 0.032 37 H TYR 6 H TYR 6 8.199 -3.615 1.506 38 HA TYR 6 HA TYR 6 9.945 -1.787 2.937 39 1HB TYR 6 1HB TYR 6 7.733 -3.616 3.903 40 2HB TYR 6 2HB TYR 6 8.588 -2.470 4.924 41 HD1 TYR 6 HD1 TYR 6 8.765 0.031 3.786 42 HD2 TYR 6 HD2 TYR 6 5.691 -2.879 3.046 43 HE1 TYR 6 HE1 TYR 6 7.399 1.725 2.617 44 HE2 TYR 6 HE2 TYR 6 4.296 -1.135 2.001 45 HH TYR 6 HH TYR 6 4.548 0.921 0.965 46 H GLU 7 H GLU 7 10.012 -5.211 2.264 47 HA GLU 7 HA GLU 7 11.084 -6.963 3.141 48 1HB GLU 7 1HB GLU 7 12.839 -5.284 2.357 49 2HB GLU 7 2HB GLU 7 13.166 -5.085 4.097 50 1HG GLU 7 1HG GLU 7 13.634 -7.577 4.198 51 2HG GLU 7 2HG GLU 7 13.370 -7.657 2.446 52 H ASN 8 H ASN 8 9.311 -5.582 4.955 53 HA ASN 8 HA ASN 8 10.192 -5.468 7.626 54 1HB ASN 8 1HB ASN 8 7.893 -5.647 8.319 55 2HB ASN 8 2HB ASN 8 7.974 -4.641 6.863 56 1HD2 ASN 8 1HD2 ASN 8 6.867 -5.393 4.985 57 2HD2 ASN 8 2HD2 ASN 8 6.183 -7.025 4.866 58 H LYS 9 H LYS 9 9.998 -6.971 9.342 59 HA LYS 9 HA LYS 9 11.260 -9.344 8.441 60 1HB LYS 9 1HB LYS 9 10.500 -8.732 11.334 61 2HB LYS 9 2HB LYS 9 11.816 -9.747 10.734 62 1HG LYS 9 1HG LYS 9 12.604 -7.477 9.549 63 2HG LYS 9 2HG LYS 9 11.525 -6.729 10.732 64 1HD LYS 9 1HD LYS 9 13.610 -6.645 11.760 65 2HD LYS 9 2HD LYS 9 12.805 -8.019 12.543 66 1HE LYS 9 1HE LYS 9 14.058 -9.582 11.009 67 2HE LYS 9 2HE LYS 9 14.799 -8.189 10.208 68 1HZ LYS 9 1HZ LYS 9 15.871 -7.643 12.282 69 2HZ LYS 9 2HZ LYS 9 15.187 -8.945 13.027 70 3HZ LYS 9 3HZ LYS 9 16.260 -9.164 11.801 71 H LYS 10 H LYS 10 8.114 -8.653 9.816 72 HA LYS 10 HA LYS 10 6.999 -11.175 10.306 73 1HB LYS 10 1HB LYS 10 5.681 -9.343 10.845 74 2HB LYS 10 2HB LYS 10 6.054 -8.500 9.354 75 1HG LYS 10 1HG LYS 10 3.885 -8.876 9.142 76 2HG LYS 10 2HG LYS 10 4.521 -10.116 8.108 77 1HD LYS 10 1HD LYS 10 3.536 -10.452 10.994 78 2HD LYS 10 2HD LYS 10 2.564 -10.763 9.557 79 1HE LYS 10 1HE LYS 10 5.030 -12.352 10.408 80 2HE LYS 10 2HE LYS 10 3.349 -12.830 10.601 81 1HZ LYS 10 1HZ LYS 10 4.119 -13.870 8.694 82 2HZ LYS 10 2HZ LYS 10 3.197 -12.627 8.107 83 3HZ LYS 10 3HZ LYS 10 4.855 -12.542 8.120 84 H GLY 11 H GLY 11 7.378 -9.437 7.160 85 1HA GLY 11 1HA GLY 11 7.977 -11.680 5.627 86 2HA GLY 11 2HA GLY 11 6.205 -11.546 5.582 87 H ASN 12 H ASN 12 9.027 -10.491 4.183 88 HA ASN 12 HA ASN 12 9.009 -7.836 3.565 89 1HB ASN 12 1HB ASN 12 9.386 -10.042 1.558 90 2HB ASN 12 2HB ASN 12 10.002 -8.402 1.433 91 1HD2 ASN 12 1HD2 ASN 12 10.519 -8.942 4.722 92 2HD2 ASN 12 2HD2 ASN 12 12.135 -9.569 4.528 93 H VAL 13 H VAL 13 7.300 -6.646 3.134 94 HA VAL 13 HA VAL 13 4.987 -7.550 1.516 95 HB VAL 13 HB VAL 13 5.648 -5.070 3.118 96 1HG1 VAL 13 1HG1 VAL 13 3.573 -5.329 0.906 97 2HG1 VAL 13 2HG1 VAL 13 3.334 -4.230 2.269 98 3HG1 VAL 13 3HG1 VAL 13 4.724 -4.002 1.207 99 1HG2 VAL 13 1HG2 VAL 13 3.066 -6.653 3.086 100 2HG2 VAL 13 2HG2 VAL 13 4.478 -7.223 3.967 101 3HG2 VAL 13 3HG2 VAL 13 3.757 -5.654 4.383 102 H THR 14 H THR 14 5.327 -7.561 -0.623 103 HA THR 14 HA THR 14 7.094 -5.509 -1.843 104 HB THR 14 HB THR 14 7.540 -7.758 -2.638 105 HG1 THR 14 HG1 THR 14 7.592 -5.853 -4.012 106 1HG2 THR 14 1HG2 THR 14 5.969 -9.020 -3.987 107 2HG2 THR 14 2HG2 THR 14 5.277 -8.794 -2.371 108 3HG2 THR 14 3HG2 THR 14 4.695 -7.817 -3.736 109 H PHE 15 H PHE 15 6.043 -3.739 -2.664 110 HA PHE 15 HA PHE 15 3.072 -3.868 -2.855 111 1HB PHE 15 1HB PHE 15 2.856 -1.715 -1.853 112 2HB PHE 15 2HB PHE 15 3.588 -2.861 -0.730 113 HD1 PHE 15 HD1 PHE 15 4.008 0.340 -2.400 114 HD2 PHE 15 HD2 PHE 15 6.051 -2.797 -0.260 115 HE1 PHE 15 HE1 PHE 15 5.724 1.968 -1.638 116 HE2 PHE 15 HE2 PHE 15 7.679 -1.139 0.596 117 HZ PHE 15 HZ PHE 15 7.495 1.222 -0.040 118 H ASP 16 H ASP 16 2.462 -3.416 -4.789 119 HA ASP 16 HA ASP 16 3.682 -2.164 -6.894 120 1HB ASP 16 1HB ASP 16 0.868 -2.003 -5.799 121 2HB ASP 16 2HB ASP 16 1.308 -1.564 -7.460 122 H HIS 17 H HIS 17 3.375 -0.055 -7.731 123 HA HIS 17 HA HIS 17 2.822 2.186 -5.894 124 1HB HIS 17 1HB HIS 17 5.171 1.587 -5.416 125 2HB HIS 17 2HB HIS 17 5.549 1.653 -7.133 126 HD1 HIS 17 HND HIS 17 5.919 4.133 -8.136 127 HD2 HIS 17 HD HIS 17 4.369 3.938 -4.246 128 HE1 HIS 17 HE HIS 17 5.757 6.551 -7.268 129 H LYS 18 H LYS 18 4.675 1.780 -8.935 130 HA LYS 18 HA LYS 18 3.433 3.842 -10.368 131 1HB LYS 18 1HB LYS 18 5.455 2.959 -11.160 132 2HB LYS 18 2HB LYS 18 4.834 1.292 -11.250 133 1HG LYS 18 1HG LYS 18 3.409 1.814 -13.109 134 2HG LYS 18 2HG LYS 18 3.663 3.553 -12.907 135 1HD LYS 18 1HD LYS 18 6.020 3.303 -13.565 136 2HD LYS 18 2HD LYS 18 5.824 1.534 -13.665 137 1HE LYS 18 1HE LYS 18 4.135 1.771 -15.442 138 2HE LYS 18 2HE LYS 18 4.178 3.532 -15.307 139 1HZ LYS 18 1HZ LYS 18 5.456 2.732 -17.147 140 2HZ LYS 18 2HZ LYS 18 6.449 3.477 -16.063 141 3HZ LYS 18 3HZ LYS 18 6.424 1.830 -16.162 142 H ALA 19 H ALA 19 2.693 0.329 -10.528 143 HA ALA 19 HA ALA 19 0.486 0.264 -12.158 144 1HB ALA 19 1HB ALA 19 1.478 -1.705 -11.056 145 2HB ALA 19 2HB ALA 19 0.860 -1.101 -9.499 146 3HB ALA 19 3HB ALA 19 -0.280 -1.637 -10.752 147 H HIS 20 H HIS 20 0.357 0.844 -8.595 148 HA HIS 20 HA HIS 20 -2.463 1.352 -8.478 149 1HB HIS 20 1HB HIS 20 -0.157 2.158 -6.649 150 2HB HIS 20 2HB HIS 20 -1.857 2.502 -6.329 151 HD1 HIS 20 HND HIS 20 -0.990 -0.963 -7.718 152 HD2 HIS 20 HD HIS 20 -2.088 1.004 -4.179 153 HE1 HIS 20 HE HIS 20 -1.775 -2.742 -6.112 154 H ALA 21 H ALA 21 0.399 3.338 -9.110 155 HA ALA 21 HA ALA 21 -0.916 5.894 -8.899 156 1HB ALA 21 1HB ALA 21 1.507 5.334 -10.649 157 2HB ALA 21 2HB ALA 21 0.974 6.851 -9.952 158 3HB ALA 21 3HB ALA 21 1.590 5.556 -8.892 159 H GLU 22 H GLU 22 -0.288 3.839 -11.724 160 HA GLU 22 HA GLU 22 -1.506 5.759 -13.542 161 1HB GLU 22 1HB GLU 22 -1.167 4.101 -15.303 162 2HB GLU 22 2HB GLU 22 0.291 4.482 -14.380 163 1HG GLU 22 1HG GLU 22 -0.095 2.313 -13.096 164 2HG GLU 22 2HG GLU 22 -1.355 1.930 -14.271 165 H LYS 23 H LYS 23 -2.580 2.715 -11.984 166 HA LYS 23 HA LYS 23 -5.139 2.718 -13.228 167 1HB LYS 23 1HB LYS 23 -4.184 1.641 -10.537 168 2HB LYS 23 2HB LYS 23 -5.769 1.281 -11.218 169 1HG LYS 23 1HG LYS 23 -3.145 0.679 -12.670 170 2HG LYS 23 2HG LYS 23 -3.913 -0.483 -11.594 171 1HD LYS 23 1HD LYS 23 -5.361 0.791 -13.945 172 2HD LYS 23 2HD LYS 23 -4.334 -0.611 -14.166 173 1HE LYS 23 1HE LYS 23 -6.530 -0.669 -12.059 174 2HE LYS 23 2HE LYS 23 -6.949 -0.934 -13.756 175 1HZ LYS 23 1HZ LYS 23 -4.812 -2.481 -12.452 176 2HZ LYS 23 2HZ LYS 23 -6.289 -2.903 -12.199 177 3HZ LYS 23 3HZ LYS 23 -5.713 -2.914 -13.767 178 H LEU 24 H LEU 24 -4.197 4.123 -10.027 179 HA LEU 24 HA LEU 24 -6.832 5.349 -9.781 180 1HB LEU 24 1HB LEU 24 -4.242 5.559 -8.199 181 2HB LEU 24 2HB LEU 24 -5.675 6.502 -7.849 182 HG LEU 24 HG LEU 24 -5.342 4.588 -6.451 183 1HD1 LEU 24 1HD1 LEU 24 -7.959 4.501 -8.028 184 2HD1 LEU 24 2HD1 LEU 24 -7.730 3.900 -6.384 185 3HD1 LEU 24 3HD1 LEU 24 -7.573 5.635 -6.713 186 1HD2 LEU 24 1HD2 LEU 24 -6.018 2.327 -7.063 187 2HD2 LEU 24 2HD2 LEU 24 -6.086 2.788 -8.770 188 3HD2 LEU 24 3HD2 LEU 24 -4.543 2.833 -7.869 189 H GLY 25 H GLY 25 -3.482 6.751 -10.102 190 1HA GLY 25 1HA GLY 25 -3.727 8.757 -11.759 191 2HA GLY 25 2HA GLY 25 -4.638 9.450 -10.396 192 H CYS 26 H CYS 26 -3.569 9.561 -8.327 193 HA CYS 26 HA CYS 26 -0.884 9.021 -7.716 194 1HB CYS 26 1HB CYS 26 -0.576 10.876 -9.672 195 2HB CYS 26 2HB CYS 26 -1.070 11.973 -8.412 196 H ASP 27 H ASP 27 -3.322 11.352 -7.644 197 HA ASP 27 HA ASP 27 -3.405 12.837 -5.315 198 1HB ASP 27 1HB ASP 27 -5.851 12.719 -5.805 199 2HB ASP 27 2HB ASP 27 -4.896 13.099 -7.239 200 H ALA 28 H ALA 28 -4.545 9.617 -6.065 201 HA ALA 28 HA ALA 28 -5.856 8.760 -3.864 202 1HB ALA 28 1HB ALA 28 -5.032 6.470 -4.494 203 2HB ALA 28 2HB ALA 28 -5.550 7.474 -5.871 204 3HB ALA 28 3HB ALA 28 -3.818 7.251 -5.547 205 H CYS 29 H CYS 29 -2.315 9.043 -4.088 206 HA CYS 29 HA CYS 29 -2.108 8.347 -1.167 207 1HB CYS 29 1HB CYS 29 -0.152 7.669 -3.331 208 2HB CYS 29 2HB CYS 29 -0.011 7.274 -1.608 209 H HIS 30 H HIS 30 -0.911 10.421 -3.854 210 HA HIS 30 HA HIS 30 0.528 12.089 -1.809 211 1HB HIS 30 1HB HIS 30 1.477 11.516 -4.605 212 2HB HIS 30 2HB HIS 30 2.265 12.517 -3.400 213 HD1 HIS 30 HND HIS 30 3.620 11.120 -1.450 214 HD2 HIS 30 HD HIS 30 2.017 9.062 -4.707 215 HE1 HIS 30 HE HIS 30 5.133 9.033 -1.896 216 H GLU 31 H GLU 31 -0.408 14.037 -1.807 217 HA GLU 31 HA GLU 31 -2.162 14.881 -4.016 218 1HB GLU 31 1HB GLU 31 -1.421 16.570 -1.556 219 2HB GLU 31 2HB GLU 31 -2.803 16.689 -2.647 220 1HG GLU 31 1HG GLU 31 -3.373 14.340 -1.909 221 2HG GLU 31 2HG GLU 31 -2.191 14.513 -0.604 222 H GLY 32 H GLY 32 0.427 16.393 -2.280 223 1HA GLY 32 1HA GLY 32 1.336 17.977 -4.679 224 2HA GLY 32 2HA GLY 32 1.555 18.437 -2.984 225 H THR 33 H THR 33 3.726 18.319 -2.504 226 HA THR 33 HA THR 33 5.668 16.866 -3.788 227 HB THR 33 HB THR 33 5.597 17.517 -0.813 228 HG1 THR 33 HG1 THR 33 6.108 19.240 -3.008 229 1HG2 THR 33 1HG2 THR 33 7.868 17.575 -2.862 230 2HG2 THR 33 2HG2 THR 33 7.988 17.976 -1.135 231 3HG2 THR 33 3HG2 THR 33 7.617 16.317 -1.634 232 HA PRO 34 HA PRO 34 4.533 12.782 -2.128 233 1HB PRO 34 1HB PRO 34 6.467 11.243 -3.333 234 2HB PRO 34 2HB PRO 34 4.925 11.741 -4.073 235 1HG PRO 34 1HG PRO 34 7.629 12.913 -4.516 236 2HG PRO 34 2HG PRO 34 6.257 12.706 -5.653 237 1HD PRO 34 1HD PRO 34 6.946 15.101 -4.396 238 2HD PRO 34 2HD PRO 34 5.315 14.718 -5.027 239 H ALA 35 H ALA 35 8.091 13.188 -2.519 240 HA ALA 35 HA ALA 35 9.833 12.842 -1.101 241 1HB ALA 35 1HB ALA 35 8.026 14.339 0.838 242 2HB ALA 35 2HB ALA 35 9.781 14.118 0.997 243 3HB ALA 35 3HB ALA 35 9.135 15.059 -0.355 244 H LYS 36 H LYS 36 8.648 10.595 -1.403 245 HA LYS 36 HA LYS 36 7.934 8.631 -0.726 246 1HB LYS 36 1HB LYS 36 9.301 7.458 0.803 247 2HB LYS 36 2HB LYS 36 10.320 8.587 -0.067 248 1HG LYS 36 1HG LYS 36 10.755 9.887 1.770 249 2HG LYS 36 2HG LYS 36 9.229 9.515 2.568 250 1HD LYS 36 1HD LYS 36 10.983 8.404 3.815 251 2HD LYS 36 2HD LYS 36 9.893 7.249 3.065 252 1HE LYS 36 1HE LYS 36 11.814 7.373 1.098 253 2HE LYS 36 2HE LYS 36 12.794 7.804 2.501 254 1HZ LYS 36 1HZ LYS 36 11.900 5.682 3.493 255 2HZ LYS 36 2HZ LYS 36 11.160 5.386 2.050 256 3HZ LYS 36 3HZ LYS 36 12.770 5.442 2.103 257 H ILE 37 H ILE 37 7.542 7.399 1.808 258 HA ILE 37 HA ILE 37 5.611 9.124 3.207 259 HB ILE 37 HB ILE 37 4.587 6.424 2.297 260 1HG1 ILE 37 1HG1 ILE 37 4.184 9.053 0.855 261 2HG1 ILE 37 2HG1 ILE 37 4.914 7.541 0.259 262 1HG2 ILE 37 1HG2 ILE 37 3.199 8.948 3.313 263 2HG2 ILE 37 2HG2 ILE 37 2.425 7.386 3.000 264 3HG2 ILE 37 3HG2 ILE 37 3.587 7.535 4.312 265 1HD1 ILE 37 1HD1 ILE 37 2.596 6.481 0.623 266 2HD1 ILE 37 2HD1 ILE 37 1.990 8.126 0.900 267 3HD1 ILE 37 3HD1 ILE 37 2.693 7.701 -0.659 268 H ALA 38 H ALA 38 6.866 5.892 2.872 269 HA ALA 38 HA ALA 38 7.526 4.273 4.310 270 1HB ALA 38 1HB ALA 38 7.676 6.378 6.499 271 2HB ALA 38 2HB ALA 38 8.395 4.760 6.490 272 3HB ALA 38 3HB ALA 38 8.953 5.985 5.323 273 H ILE 39 H ILE 39 5.390 3.521 3.786 274 HA ILE 39 HA ILE 39 3.290 3.858 5.828 275 HB ILE 39 HB ILE 39 3.389 2.437 3.181 276 1HG1 ILE 39 1HG1 ILE 39 3.131 4.870 3.095 277 2HG1 ILE 39 2HG1 ILE 39 1.681 4.000 2.618 278 1HG2 ILE 39 1HG2 ILE 39 1.322 2.264 5.358 279 2HG2 ILE 39 2HG2 ILE 39 0.878 2.095 3.648 280 3HG2 ILE 39 3HG2 ILE 39 2.029 0.968 4.357 281 1HD1 ILE 39 1HD1 ILE 39 0.719 4.440 4.916 282 2HD1 ILE 39 2HD1 ILE 39 2.077 5.558 5.184 283 3HD1 ILE 39 3HD1 ILE 39 0.924 5.847 3.877 284 H ASP 40 H ASP 40 4.184 3.199 7.498 285 HA ASP 40 HA ASP 40 5.287 0.467 7.921 286 1HB ASP 40 1HB ASP 40 4.816 2.700 9.943 287 2HB ASP 40 2HB ASP 40 5.702 1.197 10.212 288 H LYS 41 H LYS 41 4.294 -0.791 9.778 289 HA LYS 41 HA LYS 41 1.783 -1.562 9.455 290 1HB LYS 41 1HB LYS 41 1.789 -2.473 11.665 291 2HB LYS 41 2HB LYS 41 3.331 -2.670 10.856 292 1HG LYS 41 1HG LYS 41 4.192 -0.674 12.226 293 2HG LYS 41 2HG LYS 41 2.687 -0.839 13.190 294 1HD LYS 41 1HD LYS 41 3.267 -3.304 13.417 295 2HD LYS 41 2HD LYS 41 4.840 -2.903 12.662 296 1HE LYS 41 1HE LYS 41 5.443 -1.494 14.538 297 2HE LYS 41 2HE LYS 41 3.870 -1.789 15.317 298 1HZ LYS 41 1HZ LYS 41 5.689 -3.248 16.144 299 2HZ LYS 41 2HZ LYS 41 4.451 -4.113 15.497 300 3HZ LYS 41 3HZ LYS 41 5.803 -3.957 14.669 301 H LYS 42 H LYS 42 2.660 1.016 11.648 302 HA LYS 42 HA LYS 42 0.298 1.841 12.805 303 1HB LYS 42 1HB LYS 42 2.760 3.269 11.733 304 2HB LYS 42 2HB LYS 42 1.357 4.275 12.062 305 1HG LYS 42 1HG LYS 42 2.721 4.361 13.924 306 2HG LYS 42 2HG LYS 42 1.227 3.509 14.354 307 1HD LYS 42 1HD LYS 42 2.338 1.359 14.323 308 2HD LYS 42 2HD LYS 42 3.829 2.047 13.659 309 1HE LYS 42 1HE LYS 42 2.636 2.757 16.393 310 2HE LYS 42 2HE LYS 42 3.897 1.544 16.144 311 1HZ LYS 42 1HZ LYS 42 4.837 3.633 16.787 312 2HZ LYS 42 2HZ LYS 42 5.318 3.271 15.258 313 3HZ LYS 42 3HZ LYS 42 4.161 4.411 15.512 314 H SER 43 H SER 43 1.383 2.904 9.568 315 HA SER 43 HA SER 43 -1.217 4.210 9.096 316 1HB SER 43 1HB SER 43 1.206 3.904 7.282 317 2HB SER 43 2HB SER 43 -0.180 4.999 7.068 318 HG SER 43 HG SER 43 1.692 5.988 8.072 319 H ALA 44 H ALA 44 0.807 1.662 7.709 320 HA ALA 44 HA ALA 44 -0.558 0.741 5.542 321 1HB ALA 44 1HB ALA 44 0.862 -1.000 7.566 322 2HB ALA 44 2HB ALA 44 0.643 -1.288 5.833 323 3HB ALA 44 3HB ALA 44 1.699 0.038 6.407 324 H HIS 45 H HIS 45 -1.010 -0.437 8.922 325 HA HIS 45 HA HIS 45 -3.159 -2.248 8.006 326 1HB HIS 45 1HB HIS 45 -1.535 -1.912 10.526 327 2HB HIS 45 2HB HIS 45 -3.123 -2.633 10.617 328 HD1 HIS 45 HND HIS 45 -3.110 -5.089 10.524 329 HD2 HIS 45 HD HIS 45 0.008 -3.360 8.279 330 HE1 HIS 45 HE HIS 45 -1.775 -6.990 9.570 331 H LYS 46 H LYS 46 -2.962 1.015 9.065 332 HA LYS 46 HA LYS 46 -5.532 0.940 10.563 333 1HB LYS 46 1HB LYS 46 -3.692 2.115 11.523 334 2HB LYS 46 2HB LYS 46 -3.425 3.063 10.063 335 1HG LYS 46 1HG LYS 46 -5.907 3.319 11.816 336 2HG LYS 46 2HG LYS 46 -4.408 4.254 12.032 337 1HD LYS 46 1HD LYS 46 -4.581 4.914 9.608 338 2HD LYS 46 2HD LYS 46 -6.235 4.204 9.705 339 1HE LYS 46 1HE LYS 46 -7.021 5.932 11.118 340 2HE LYS 46 2HE LYS 46 -5.391 6.598 11.316 341 1HZ LYS 46 1HZ LYS 46 -5.387 7.214 9.004 342 2HZ LYS 46 2HZ LYS 46 -6.837 6.593 8.672 343 3HZ LYS 46 3HZ LYS 46 -6.717 7.847 9.707 344 H ASP 47 H ASP 47 -4.029 2.813 7.927 345 HA ASP 47 HA ASP 47 -6.361 2.763 6.158 346 1HB ASP 47 1HB ASP 47 -7.202 4.207 7.914 347 2HB ASP 47 2HB ASP 47 -5.638 5.144 7.804 348 H ALA 48 H ALA 48 -4.424 1.937 5.063 349 HA ALA 48 HA ALA 48 -3.571 3.991 3.266 350 1HB ALA 48 1HB ALA 48 -1.121 3.491 3.363 351 2HB ALA 48 2HB ALA 48 -1.739 4.362 4.778 352 3HB ALA 48 3HB ALA 48 -1.396 2.632 4.896 353 H CYS 49 H CYS 49 -2.392 0.691 4.205 354 HA CYS 49 HA CYS 49 -3.019 -0.250 1.473 355 1HB CYS 49 1HB CYS 49 -1.858 -1.838 3.717 356 2HB CYS 49 2HB CYS 49 -1.807 -2.182 1.991 357 H LYS 50 H LYS 50 -3.765 -1.172 4.891 358 HA LYS 50 HA LYS 50 -5.798 -3.026 3.947 359 1HB LYS 50 1HB LYS 50 -4.212 -3.277 5.943 360 2HB LYS 50 2HB LYS 50 -5.269 -2.155 6.791 361 1HG LYS 50 1HG LYS 50 -7.158 -3.952 5.923 362 2HG LYS 50 2HG LYS 50 -5.730 -4.969 5.780 363 1HD LYS 50 1HD LYS 50 -6.334 -5.493 7.919 364 2HD LYS 50 2HD LYS 50 -5.245 -4.153 8.274 365 1HE LYS 50 1HE LYS 50 -8.310 -4.111 8.113 366 2HE LYS 50 2HE LYS 50 -7.329 -3.968 9.578 367 1HZ LYS 50 1HZ LYS 50 -8.139 -1.828 8.855 368 2HZ LYS 50 2HZ LYS 50 -6.506 -1.864 8.755 369 3HZ LYS 50 3HZ LYS 50 -7.415 -1.973 7.392 370 H THR 51 H THR 51 -6.660 -0.798 2.864 371 HA THR 51 HA THR 51 -9.189 -0.229 4.265 372 HB THR 51 HB THR 51 -7.752 1.482 5.127 373 HG1 THR 51 HG1 THR 51 -8.970 3.289 4.410 374 1HG2 THR 51 1HG2 THR 51 -6.710 3.218 3.795 375 2HG2 THR 51 2HG2 THR 51 -6.118 1.665 3.187 376 3HG2 THR 51 3HG2 THR 51 -7.364 2.580 2.300 377 H CYS 52 H CYS 52 -7.242 0.693 1.356 378 HA CYS 52 HA CYS 52 -9.416 1.096 -0.378 379 1HB CYS 52 1HB CYS 52 -6.515 0.393 -0.665 380 2HB CYS 52 2HB CYS 52 -7.559 0.176 -2.061 381 H HIS 53 H HIS 53 -7.534 -1.891 0.151 382 HA HIS 53 HA HIS 53 -9.083 -3.375 -1.745 383 1HB HIS 53 1HB HIS 53 -7.382 -4.772 0.296 384 2HB HIS 53 2HB HIS 53 -7.618 -5.135 -1.394 385 HD1 HIS 53 HND HIS 53 -5.566 -2.802 0.952 386 HD2 HIS 53 HD HIS 53 -5.835 -3.788 -3.160 387 HE1 HIS 53 HE HIS 53 -3.545 -1.944 -0.165 388 H LYS 54 H LYS 54 -10.992 -2.356 -0.112 389 HA LYS 54 HA LYS 54 -12.005 -4.569 1.633 390 1HB LYS 54 1HB LYS 54 -12.603 -1.619 1.503 391 2HB LYS 54 2HB LYS 54 -13.716 -2.814 2.226 392 1HG LYS 54 1HG LYS 54 -12.017 -3.612 3.756 393 2HG LYS 54 2HG LYS 54 -10.786 -2.614 2.979 394 1HD LYS 54 1HD LYS 54 -11.497 -1.710 5.093 395 2HD LYS 54 2HD LYS 54 -11.801 -0.579 3.776 396 1HE LYS 54 1HE LYS 54 -14.002 -2.400 4.852 397 2HE LYS 54 2HE LYS 54 -13.598 -0.875 5.652 398 1HZ LYS 54 1HZ LYS 54 -14.068 0.302 3.644 399 2HZ LYS 54 2HZ LYS 54 -14.444 -1.083 2.846 400 3HZ LYS 54 3HZ LYS 54 -15.377 -0.581 4.100 401 H SER 55 H SER 55 -13.116 -2.154 -0.801 402 HA SER 55 HA SER 55 -15.523 -3.670 -1.417 403 1HB SER 55 1HB SER 55 -14.279 -1.382 -3.002 404 2HB SER 55 2HB SER 55 -15.945 -1.977 -3.064 405 HG SER 55 HG SER 55 -14.644 -0.602 -0.956 406 H ASN 56 H ASN 56 -12.278 -3.306 -2.770 407 HA ASN 56 HA ASN 56 -12.777 -4.640 -5.258 408 1HB ASN 56 1HB ASN 56 -10.181 -4.352 -3.690 409 2HB ASN 56 2HB ASN 56 -10.322 -4.851 -5.382 410 1HD2 ASN 56 1HD2 ASN 56 -8.691 -2.892 -5.224 411 2HD2 ASN 56 2HD2 ASN 56 -9.426 -1.321 -5.547 412 H ASN 57 H ASN 57 -12.240 -6.784 -5.848 413 HA ASN 57 HA ASN 57 -12.819 -8.730 -3.720 414 1HB ASN 57 1HB ASN 57 -13.868 -8.817 -5.983 415 2HB ASN 57 2HB ASN 57 -12.292 -9.236 -6.672 416 1HD2 ASN 57 1HD2 ASN 57 -15.082 -10.687 -6.037 417 2HD2 ASN 57 2HD2 ASN 57 -14.521 -12.222 -5.400 418 H GLY 58 H GLY 58 -11.074 -9.212 -2.393 419 1HA GLY 58 1HA GLY 58 -8.798 -10.568 -3.462 420 2HA GLY 58 2HA GLY 58 -8.382 -8.914 -2.937 421 HA PRO 59 HA PRO 59 -8.638 -11.887 0.754 422 1HB PRO 59 1HB PRO 59 -6.012 -11.886 1.546 423 2HB PRO 59 2HB PRO 59 -6.640 -12.989 0.286 424 1HG PRO 59 1HG PRO 59 -5.274 -10.315 -0.123 425 2HG PRO 59 2HG PRO 59 -4.857 -11.876 -0.899 426 1HD PRO 59 1HD PRO 59 -6.414 -10.038 -2.145 427 2HD PRO 59 2HD PRO 59 -6.809 -11.777 -2.275 428 H THR 60 H THR 60 -8.753 -11.150 2.883 429 HA THR 60 HA THR 60 -8.545 -8.193 3.212 430 HB THR 60 HB THR 60 -10.551 -8.691 4.725 431 HG1 THR 60 HG1 THR 60 -11.555 -10.756 4.005 432 1HG2 THR 60 1HG2 THR 60 -10.760 -7.742 2.420 433 2HG2 THR 60 2HG2 THR 60 -10.842 -9.386 1.760 434 3HG2 THR 60 3HG2 THR 60 -12.123 -8.795 2.837 435 H LYS 61 H LYS 61 -8.231 -11.348 4.838 436 HA LYS 61 HA LYS 61 -7.097 -10.179 7.265 437 1HB LYS 61 1HB LYS 61 -7.130 -13.065 6.274 438 2HB LYS 61 2HB LYS 61 -6.499 -12.496 7.827 439 1HG LYS 61 1HG LYS 61 -8.906 -11.442 8.132 440 2HG LYS 61 2HG LYS 61 -9.351 -12.498 6.790 441 1HD LYS 61 1HD LYS 61 -9.871 -13.779 8.686 442 2HD LYS 61 2HD LYS 61 -8.305 -14.426 8.168 443 1HE LYS 61 1HE LYS 61 -7.207 -12.873 9.901 444 2HE LYS 61 2HE LYS 61 -8.831 -12.396 10.413 445 1HZ LYS 61 1HZ LYS 61 -7.927 -14.085 11.814 446 2HZ LYS 61 2HZ LYS 61 -9.225 -14.701 11.019 447 3HZ LYS 61 3HZ LYS 61 -7.698 -15.112 10.556 448 H CYS 62 H CYS 62 -5.262 -12.694 5.552 449 HA CYS 62 HA CYS 62 -3.022 -10.760 5.317 450 1HB CYS 62 1HB CYS 62 -2.396 -13.514 6.167 451 2HB CYS 62 2HB CYS 62 -1.486 -12.003 6.354 452 H GLY 63 H GLY 63 -1.090 -12.109 4.264 453 1HA GLY 63 1HA GLY 63 -0.367 -13.415 2.458 454 2HA GLY 63 2HA GLY 63 -2.042 -13.784 2.022 455 H GLY 64 H GLY 64 -3.083 -11.211 1.900 456 1HA GLY 64 1HA GLY 64 -2.928 -10.271 -0.598 457 2HA GLY 64 2HA GLY 64 -3.134 -9.192 0.803 458 H CYS 65 H CYS 65 -0.711 -9.143 1.946 459 HA CYS 65 HA CYS 65 0.905 -7.662 -0.097 460 1HB CYS 65 1HB CYS 65 0.528 -7.031 2.802 461 2HB CYS 65 2HB CYS 65 1.184 -5.965 1.550 462 H HIS 66 H HIS 66 1.169 -9.270 3.122 463 HA HIS 66 HA HIS 66 4.069 -9.497 2.927 464 1HB HIS 66 1HB HIS 66 2.123 -11.040 4.686 465 2HB HIS 66 2HB HIS 66 3.874 -11.000 4.835 466 HD1 HIS 66 HND HIS 66 4.942 -8.634 5.790 467 HD2 HIS 66 HD HIS 66 0.739 -9.012 5.774 468 HE1 HIS 66 HE HIS 66 3.966 -6.806 7.317 469 H ILE 67 H ILE 67 4.892 -10.781 1.289 470 HA ILE 67 HA ILE 67 3.578 -13.286 0.496 471 HB ILE 67 HB ILE 67 6.406 -12.303 -0.042 472 1HG1 ILE 67 1HG1 ILE 67 4.868 -10.653 -0.926 473 2HG1 ILE 67 2HG1 ILE 67 5.629 -11.562 -2.226 474 1HG2 ILE 67 1HG2 ILE 67 6.269 -13.890 -1.970 475 2HG2 ILE 67 2HG2 ILE 67 6.208 -14.693 -0.396 476 3HG2 ILE 67 3HG2 ILE 67 4.722 -14.490 -1.336 477 1HD1 ILE 67 1HD1 ILE 67 3.548 -12.900 -2.518 478 2HD1 ILE 67 2HD1 ILE 67 2.777 -11.967 -1.209 479 3HD1 ILE 67 3HD1 ILE 67 3.271 -11.163 -2.704 480 H LYS 68 H LYS 68 3.476 -14.934 2.065 481 HA LYS 68 HA LYS 68 5.942 -15.952 3.091 482 1HB LYS 68 1HB LYS 68 5.171 -14.148 4.772 483 2HB LYS 68 2HB LYS 68 3.731 -15.129 5.047 484 1HG LYS 68 1HG LYS 68 6.240 -16.700 5.254 485 2HG LYS 68 2HG LYS 68 6.266 -15.285 6.298 486 1HD LYS 68 1HD LYS 68 5.416 -17.006 7.637 487 2HD LYS 68 2HD LYS 68 3.996 -16.021 7.209 488 1HE LYS 68 1HE LYS 68 3.303 -17.655 5.528 489 2HE LYS 68 2HE LYS 68 4.817 -18.565 5.726 490 1HZ LYS 68 1HZ LYS 68 3.019 -19.604 6.807 491 2HZ LYS 68 2HZ LYS 68 4.120 -19.128 7.931 492 3HZ LYS 68 3HZ LYS 68 2.705 -18.292 7.745 493 HHA HEC 69 HCM HEC 69 8.165 6.567 -1.905 494 HHB HEC 69 HDM HEC 69 6.492 10.464 -6.684 495 HHC HEC 69 HAM HEC 69 0.999 7.185 -7.248 496 HHD HEC 69 HBM HEC 69 2.226 4.581 -1.549 497 1HMA HEC 69 HM81 HEC 69 8.486 11.189 -5.874 498 2HMA HEC 69 HM82 HEC 69 9.908 10.496 -5.093 499 3HMA HEC 69 HM83 HEC 69 9.309 9.782 -6.583 500 1HAA HEC 69 HP71 HEC 69 10.382 9.328 -3.326 501 2HAA HEC 69 HP72 HEC 69 9.744 8.175 -2.172 502 1HBA HEC 69 HP73 HEC 69 11.704 7.284 -3.283 503 2HBA HEC 69 HP74 HEC 69 10.272 6.318 -3.665 504 1HMB HEC 69 HM11 HEC 69 3.642 11.585 -8.802 505 2HMB HEC 69 HM12 HEC 69 5.092 11.692 -7.847 506 3HMB HEC 69 HM13 HEC 69 5.101 10.713 -9.337 507 HAB HEC 69 HT2A HEC 69 0.992 8.711 -8.687 508 1HBB HEC 69 HT21 HEC 69 2.596 8.795 -10.589 509 2HBB HEC 69 HT22 HEC 69 1.108 9.726 -10.777 510 3HBB HEC 69 HT23 HEC 69 2.622 10.560 -10.423 511 1HMC HEC 69 HM31 HEC 69 -0.486 5.006 -6.770 512 2HMC HEC 69 HM32 HEC 69 -1.503 5.129 -5.337 513 3HMC HEC 69 HM33 HEC 69 -1.030 6.598 -6.178 514 HAC HEC 69 HT4A HEC 69 0.133 4.609 -1.836 515 1HBC HEC 69 HT41 HEC 69 -1.305 3.292 -4.153 516 2HBC HEC 69 HT42 HEC 69 0.064 2.589 -3.276 517 3HBC HEC 69 HT43 HEC 69 -1.456 2.927 -2.430 518 1HMD HEC 69 HM51 HEC 69 4.988 3.632 0.830 519 2HMD HEC 69 HM52 HEC 69 3.399 4.391 0.675 520 3HMD HEC 69 HM53 HEC 69 3.836 3.030 -0.374 521 1HAD HEC 69 HP61 HEC 69 7.484 6.314 0.147 522 2HAD HEC 69 HP62 HEC 69 6.642 5.091 1.033 523 1HBD HEC 69 HP63 HEC 69 7.997 3.347 0.029 524 2HBD HEC 69 HP64 HEC 69 8.753 4.514 -1.070 525 HHA HEC 70 HCM HEC 70 -3.844 -5.317 -6.273 526 HHB HEC 70 HDM HEC 70 0.287 -4.496 -1.453 527 HHC HEC 70 HAM HEC 70 -2.324 1.190 -0.211 528 HHD HEC 70 HBM HEC 70 -6.381 0.391 -5.044 529 1HMA HEC 70 HM81 HEC 70 -0.038 -7.651 -3.506 530 2HMA HEC 70 HM82 HEC 70 1.115 -6.303 -3.669 531 3HMA HEC 70 HM83 HEC 70 0.332 -6.656 -2.106 532 1HAA HEC 70 HP71 HEC 70 -2.094 -6.671 -6.559 533 2HAA HEC 70 HP72 HEC 70 -0.833 -7.466 -5.654 534 1HBA HEC 70 HP73 HEC 70 -2.444 -8.634 -4.267 535 2HBA HEC 70 HP74 HEC 70 -3.778 -7.686 -4.939 536 1HMB HEC 70 HM11 HEC 70 1.602 -3.495 -0.025 537 2HMB HEC 70 HM12 HEC 70 1.604 -2.170 1.143 538 3HMB HEC 70 HM13 HEC 70 0.403 -3.463 1.267 539 HAB HEC 70 HT2A HEC 70 -0.721 1.008 1.058 540 1HBB HEC 70 HT21 HEC 70 1.579 1.471 1.506 541 2HBB HEC 70 HT22 HEC 70 2.095 -0.058 0.786 542 3HBB HEC 70 HT23 HEC 70 1.353 1.188 -0.226 543 1HMC HEC 70 HM31 HEC 70 -4.239 3.926 -1.754 544 2HMC HEC 70 HM32 HEC 70 -4.903 3.101 -0.331 545 3HMC HEC 70 HM33 HEC 70 -3.162 3.126 -0.639 546 HAC HEC 70 HT4A HEC 70 -7.225 1.783 -3.712 547 1HBC HEC 70 HT41 HEC 70 -7.358 4.115 -3.990 548 2HBC HEC 70 HT42 HEC 70 -5.811 4.394 -3.175 549 3HBC HEC 70 HT43 HEC 70 -5.858 3.486 -4.708 550 1HMD HEC 70 HM51 HEC 70 -6.456 -0.020 -7.254 551 2HMD HEC 70 HM52 HEC 70 -6.698 -1.413 -8.306 552 3HMD HEC 70 HM53 HEC 70 -7.841 -1.098 -6.984 553 1HAD HEC 70 HP61 HEC 70 -5.656 -4.997 -7.677 554 2HAD HEC 70 HP62 HEC 70 -6.584 -3.657 -8.315 555 1HBD HEC 70 HP63 HEC 70 -3.995 -2.694 -8.553 556 2HBD HEC 70 HP64 HEC 70 -3.728 -4.423 -8.774 557 HHA HEC 71 HCM HEC 71 4.140 -3.980 9.188 558 HHB HEC 71 HDM HEC 71 1.208 -9.246 11.339 559 HHC HEC 71 HAM HEC 71 -2.634 -9.021 6.252 560 HHD HEC 71 HBM HEC 71 0.616 -4.159 3.905 561 1HMA HEC 71 HM81 HEC 71 4.077 -8.520 12.522 562 2HMA HEC 71 HM82 HEC 71 3.504 -7.104 13.399 563 3HMA HEC 71 HM83 HEC 71 2.369 -8.390 13.021 564 1HAA HEC 71 HP71 HEC 71 5.057 -4.456 11.016 565 2HAA HEC 71 HP72 HEC 71 4.328 -5.034 12.514 566 1HBA HEC 71 HP73 HEC 71 5.942 -7.110 11.270 567 2HBA HEC 71 HP74 HEC 71 6.865 -5.623 11.455 568 1HMB HEC 71 HM11 HEC 71 -1.055 -10.715 11.630 569 2HMB HEC 71 HM12 HEC 71 -1.252 -11.989 10.400 570 3HMB HEC 71 HM13 HEC 71 0.368 -11.459 10.864 571 HAB HEC 71 HT2A HEC 71 -3.573 -10.079 7.818 572 1HBB HEC 71 HT21 HEC 71 -4.815 -10.705 9.693 573 2HBB HEC 71 HT22 HEC 71 -3.361 -10.950 10.676 574 3HBB HEC 71 HT23 HEC 71 -3.786 -9.322 10.098 575 1HMC HEC 71 HM31 HEC 71 -2.700 -9.017 3.973 576 2HMC HEC 71 HM32 HEC 71 -3.985 -7.858 4.374 577 3HMC HEC 71 HM33 HEC 71 -3.080 -7.722 2.842 578 HAC HEC 71 HT4A HEC 71 -1.150 -4.287 2.827 579 1HBC HEC 71 HT41 HEC 71 -3.455 -4.195 3.592 580 2HBC HEC 71 HT42 HEC 71 -3.310 -4.211 1.821 581 3HBC HEC 71 HT43 HEC 71 -3.837 -5.660 2.672 582 1HMD HEC 71 HM51 HEC 71 3.499 -2.698 3.835 583 2HMD HEC 71 HM52 HEC 71 1.767 -2.332 3.828 584 3HMD HEC 71 HM53 HEC 71 2.872 -1.349 4.780 585 1HAD HEC 71 HP61 HEC 71 4.684 -1.808 6.020 586 2HAD HEC 71 HP62 HEC 71 4.158 -1.564 7.653 587 1HBD HEC 71 HP63 HEC 71 5.772 -4.017 7.194 588 2HBD HEC 71 HP64 HEC 71 6.601 -2.525 6.753 Start of MODEL 27 1 1H ALA 1 1H ALA 1 11.913 0.512 -8.458 2 2H ALA 1 2H ALA 1 12.634 1.368 -7.244 3 3H ALA 1 3H ALA 1 11.064 0.859 -7.100 4 HA ALA 1 HA ALA 1 11.298 3.240 -7.604 5 1HB ALA 1 1HB ALA 1 12.341 2.161 -10.265 6 2HB ALA 1 2HB ALA 1 11.851 3.836 -9.948 7 3HB ALA 1 3HB ALA 1 13.233 3.139 -9.085 8 H ASP 2 H ASP 2 10.421 1.375 -10.623 9 HA ASP 2 HA ASP 2 7.784 1.955 -10.637 10 1HB ASP 2 1HB ASP 2 9.198 -0.645 -11.449 11 2HB ASP 2 2HB ASP 2 7.643 -0.106 -12.075 12 H VAL 3 H VAL 3 9.436 -0.429 -8.704 13 HA VAL 3 HA VAL 3 6.967 -1.028 -7.190 14 HB VAL 3 HB VAL 3 7.551 -2.966 -8.607 15 1HG1 VAL 3 1HG1 VAL 3 9.656 -4.199 -8.320 16 2HG1 VAL 3 2HG1 VAL 3 9.969 -2.575 -8.935 17 3HG1 VAL 3 3HG1 VAL 3 10.271 -2.952 -7.223 18 1HG2 VAL 3 1HG2 VAL 3 6.635 -3.429 -6.360 19 2HG2 VAL 3 2HG2 VAL 3 7.710 -4.705 -6.934 20 3HG2 VAL 3 3HG2 VAL 3 8.290 -3.559 -5.718 21 H VAL 4 H VAL 4 7.388 -1.324 -4.877 22 HA VAL 4 HA VAL 4 10.173 -0.843 -3.991 23 HB VAL 4 HB VAL 4 7.635 0.432 -2.883 24 1HG1 VAL 4 1HG1 VAL 4 8.909 -0.398 -0.930 25 2HG1 VAL 4 2HG1 VAL 4 10.407 0.269 -1.603 26 3HG1 VAL 4 3HG1 VAL 4 9.111 1.348 -1.059 27 1HG2 VAL 4 1HG2 VAL 4 8.913 2.527 -3.131 28 2HG2 VAL 4 2HG2 VAL 4 10.278 1.619 -3.814 29 3HG2 VAL 4 3HG2 VAL 4 8.728 1.707 -4.686 30 H THR 5 H THR 5 10.483 -1.883 -1.849 31 HA THR 5 HA THR 5 8.208 -3.347 -0.942 32 HB THR 5 HB THR 5 9.476 -5.004 -2.398 33 HG1 THR 5 HG1 THR 5 8.630 -5.265 0.054 34 1HG2 THR 5 1HG2 THR 5 11.600 -5.925 -1.699 35 2HG2 THR 5 2HG2 THR 5 11.795 -4.182 -1.968 36 3HG2 THR 5 3HG2 THR 5 11.691 -4.827 -0.313 37 H TYR 6 H TYR 6 8.023 -3.399 1.198 38 HA TYR 6 HA TYR 6 10.192 -2.203 2.864 39 1HB TYR 6 1HB TYR 6 7.450 -3.132 3.769 40 2HB TYR 6 2HB TYR 6 8.635 -2.209 4.667 41 HD1 TYR 6 HD1 TYR 6 9.337 0.112 3.449 42 HD2 TYR 6 HD2 TYR 6 5.668 -2.033 2.793 43 HE1 TYR 6 HE1 TYR 6 8.208 2.230 2.770 44 HE2 TYR 6 HE2 TYR 6 4.576 0.050 2.048 45 HH TYR 6 HH TYR 6 4.782 2.282 1.805 46 H GLU 7 H GLU 7 11.721 -3.855 2.908 47 HA GLU 7 HA GLU 7 11.013 -6.610 3.416 48 1HB GLU 7 1HB GLU 7 13.281 -5.692 2.587 49 2HB GLU 7 2HB GLU 7 13.547 -5.307 4.305 50 1HG GLU 7 1HG GLU 7 12.960 -7.773 4.768 51 2HG GLU 7 2HG GLU 7 13.092 -7.992 2.999 52 H ASN 8 H ASN 8 10.665 -7.557 5.454 53 HA ASN 8 HA ASN 8 10.914 -6.156 7.954 54 1HB ASN 8 1HB ASN 8 8.538 -6.160 8.492 55 2HB ASN 8 2HB ASN 8 8.782 -5.152 7.072 56 1HD2 ASN 8 1HD2 ASN 8 8.172 -6.000 4.941 57 2HD2 ASN 8 2HD2 ASN 8 7.090 -7.395 4.844 58 H LYS 9 H LYS 9 9.617 -7.906 9.606 59 HA LYS 9 HA LYS 9 11.416 -10.169 8.984 60 1HB LYS 9 1HB LYS 9 11.671 -8.803 11.037 61 2HB LYS 9 2HB LYS 9 10.104 -9.371 11.613 62 1HG LYS 9 1HG LYS 9 10.832 -11.582 11.883 63 2HG LYS 9 2HG LYS 9 12.184 -11.421 10.762 64 1HD LYS 9 1HD LYS 9 12.061 -9.945 13.422 65 2HD LYS 9 2HD LYS 9 12.776 -11.558 13.232 66 1HE LYS 9 1HE LYS 9 14.364 -10.684 11.523 67 2HE LYS 9 2HE LYS 9 13.702 -9.057 11.713 68 1HZ LYS 9 1HZ LYS 9 15.060 -10.593 13.822 69 2HZ LYS 9 2HZ LYS 9 15.690 -9.339 12.965 70 3HZ LYS 9 3HZ LYS 9 14.432 -9.078 13.989 71 H LYS 10 H LYS 10 8.031 -9.409 9.848 72 HA LYS 10 HA LYS 10 7.106 -12.125 9.946 73 1HB LYS 10 1HB LYS 10 5.136 -11.255 10.376 74 2HB LYS 10 2HB LYS 10 5.961 -9.729 10.417 75 1HG LYS 10 1HG LYS 10 4.020 -9.409 9.169 76 2HG LYS 10 2HG LYS 10 5.336 -9.303 8.038 77 1HD LYS 10 1HD LYS 10 3.119 -10.581 7.458 78 2HD LYS 10 2HD LYS 10 4.637 -11.245 6.886 79 1HE LYS 10 1HE LYS 10 4.627 -12.872 8.824 80 2HE LYS 10 2HE LYS 10 3.097 -12.173 9.338 81 1HZ LYS 10 1HZ LYS 10 2.424 -12.873 6.892 82 2HZ LYS 10 2HZ LYS 10 3.712 -13.809 6.949 83 3HZ LYS 10 3HZ LYS 10 2.563 -14.055 8.043 84 H GLY 11 H GLY 11 7.442 -9.825 7.195 85 1HA GLY 11 1HA GLY 11 8.085 -11.818 5.300 86 2HA GLY 11 2HA GLY 11 6.316 -11.609 5.295 87 H ASN 12 H ASN 12 9.209 -10.430 4.115 88 HA ASN 12 HA ASN 12 9.289 -7.929 3.294 89 1HB ASN 12 1HB ASN 12 9.084 -10.038 1.131 90 2HB ASN 12 2HB ASN 12 10.091 -8.593 1.179 91 1HD2 ASN 12 1HD2 ASN 12 11.109 -8.911 3.875 92 2HD2 ASN 12 2HD2 ASN 12 12.197 -10.271 3.849 93 H VAL 13 H VAL 13 7.729 -6.425 2.831 94 HA VAL 13 HA VAL 13 5.118 -7.208 1.588 95 HB VAL 13 HB VAL 13 6.137 -4.789 3.107 96 1HG1 VAL 13 1HG1 VAL 13 3.391 -5.015 1.803 97 2HG1 VAL 13 2HG1 VAL 13 4.083 -3.709 2.799 98 3HG1 VAL 13 3HG1 VAL 13 4.687 -3.966 1.186 99 1HG2 VAL 13 1HG2 VAL 13 5.310 -6.728 4.407 100 2HG2 VAL 13 2HG2 VAL 13 4.321 -5.290 4.642 101 3HG2 VAL 13 3HG2 VAL 13 3.740 -6.605 3.593 102 H THR 14 H THR 14 5.416 -7.255 -0.611 103 HA THR 14 HA THR 14 7.029 -5.086 -1.890 104 HB THR 14 HB THR 14 5.976 -7.688 -3.042 105 HG1 THR 14 HG1 THR 14 8.317 -6.946 -1.685 106 1HG2 THR 14 1HG2 THR 14 7.602 -7.194 -4.855 107 2HG2 THR 14 2HG2 THR 14 6.327 -5.968 -4.772 108 3HG2 THR 14 3HG2 THR 14 7.943 -5.613 -4.126 109 H PHE 15 H PHE 15 6.021 -3.516 -3.100 110 HA PHE 15 HA PHE 15 3.192 -3.877 -3.833 111 1HB PHE 15 1HB PHE 15 2.503 -1.791 -2.800 112 2HB PHE 15 2HB PHE 15 3.092 -2.917 -1.582 113 HD1 PHE 15 HD1 PHE 15 5.496 -2.636 -0.704 114 HD2 PHE 15 HD2 PHE 15 3.363 0.410 -2.908 115 HE1 PHE 15 HE1 PHE 15 7.000 -0.909 0.211 116 HE2 PHE 15 HE2 PHE 15 4.761 2.150 -1.840 117 HZ PHE 15 HZ PHE 15 6.661 1.458 -0.361 118 H ASP 16 H ASP 16 2.741 -2.874 -5.777 119 HA ASP 16 HA ASP 16 4.967 -1.891 -7.253 120 1HB ASP 16 1HB ASP 16 2.290 -1.072 -8.154 121 2HB ASP 16 2HB ASP 16 3.610 -1.832 -9.045 122 H HIS 17 H HIS 17 5.092 0.216 -8.142 123 HA HIS 17 HA HIS 17 3.885 2.424 -6.547 124 1HB HIS 17 1HB HIS 17 6.424 1.987 -6.323 125 2HB HIS 17 2HB HIS 17 6.558 2.421 -8.020 126 HD1 HIS 17 HND HIS 17 7.762 4.703 -7.817 127 HD2 HIS 17 HD HIS 17 4.440 4.219 -5.299 128 HE1 HIS 17 HE HIS 17 7.225 7.028 -6.806 129 H LYS 18 H LYS 18 5.515 1.777 -9.648 130 HA LYS 18 HA LYS 18 4.118 3.628 -11.271 131 1HB LYS 18 1HB LYS 18 6.020 3.005 -12.217 132 2HB LYS 18 2HB LYS 18 5.934 1.351 -11.656 133 1HG LYS 18 1HG LYS 18 3.890 2.051 -13.722 134 2HG LYS 18 2HG LYS 18 5.570 2.144 -14.207 135 1HD LYS 18 1HD LYS 18 6.080 -0.022 -13.955 136 2HD LYS 18 2HD LYS 18 4.946 -0.270 -12.634 137 1HE LYS 18 1HE LYS 18 4.292 -1.532 -14.710 138 2HE LYS 18 2HE LYS 18 3.058 -0.473 -14.024 139 1HZ LYS 18 1HZ LYS 18 2.936 -0.115 -16.216 140 2HZ LYS 18 2HZ LYS 18 3.606 1.185 -15.676 141 3HZ LYS 18 3HZ LYS 18 4.589 0.094 -16.478 142 H ALA 19 H ALA 19 3.578 0.099 -11.087 143 HA ALA 19 HA ALA 19 1.281 -0.022 -12.615 144 1HB ALA 19 1HB ALA 19 1.449 -1.579 -10.085 145 2HB ALA 19 2HB ALA 19 0.729 -2.068 -11.615 146 3HB ALA 19 3HB ALA 19 2.506 -1.957 -11.473 147 H HIS 20 H HIS 20 1.225 0.433 -9.017 148 HA HIS 20 HA HIS 20 -1.604 0.820 -8.787 149 1HB HIS 20 1HB HIS 20 0.797 1.589 -7.103 150 2HB HIS 20 2HB HIS 20 -0.771 2.286 -6.756 151 HD1 HIS 20 HND HIS 20 0.723 -1.300 -7.003 152 HD2 HIS 20 HD HIS 20 -2.344 0.920 -5.146 153 HE1 HIS 20 HE HIS 20 -0.398 -2.832 -5.382 154 H ALA 21 H ALA 21 1.108 2.917 -9.659 155 HA ALA 21 HA ALA 21 -0.383 5.384 -9.444 156 1HB ALA 21 1HB ALA 21 1.430 6.400 -10.642 157 2HB ALA 21 2HB ALA 21 2.053 5.313 -9.373 158 3HB ALA 21 3HB ALA 21 2.115 4.844 -11.079 159 H GLU 22 H GLU 22 0.341 3.348 -12.293 160 HA GLU 22 HA GLU 22 -1.156 5.103 -14.067 161 1HB GLU 22 1HB GLU 22 -0.878 3.393 -15.791 162 2HB GLU 22 2HB GLU 22 0.622 3.918 -15.014 163 1HG GLU 22 1HG GLU 22 0.360 1.761 -13.583 164 2HG GLU 22 2HG GLU 22 -0.806 1.247 -14.804 165 H LYS 23 H LYS 23 -1.937 2.092 -12.304 166 HA LYS 23 HA LYS 23 -4.580 1.842 -13.375 167 1HB LYS 23 1HB LYS 23 -3.333 0.964 -10.741 168 2HB LYS 23 2HB LYS 23 -4.935 0.462 -11.284 169 1HG LYS 23 1HG LYS 23 -2.351 -0.066 -12.852 170 2HG LYS 23 2HG LYS 23 -3.116 -1.198 -11.716 171 1HD LYS 23 1HD LYS 23 -5.240 -0.906 -13.192 172 2HD LYS 23 2HD LYS 23 -4.172 -0.123 -14.362 173 1HE LYS 23 1HE LYS 23 -4.283 -2.348 -15.100 174 2HE LYS 23 2HE LYS 23 -2.709 -2.230 -14.295 175 1HZ LYS 23 1HZ LYS 23 -5.166 -3.304 -12.997 176 2HZ LYS 23 2HZ LYS 23 -3.990 -4.250 -13.673 177 3HZ LYS 23 3HZ LYS 23 -3.748 -3.308 -12.344 178 H LEU 24 H LEU 24 -3.314 3.704 -10.590 179 HA LEU 24 HA LEU 24 -6.096 4.532 -9.929 180 1HB LEU 24 1HB LEU 24 -3.619 4.701 -8.209 181 2HB LEU 24 2HB LEU 24 -5.307 4.868 -7.728 182 HG LEU 24 HG LEU 24 -4.191 2.252 -8.871 183 1HD1 LEU 24 1HD1 LEU 24 -4.380 3.160 -5.993 184 2HD1 LEU 24 2HD1 LEU 24 -4.140 1.482 -6.536 185 3HD1 LEU 24 3HD1 LEU 24 -2.943 2.735 -6.903 186 1HD2 LEU 24 1HD2 LEU 24 -6.201 1.343 -7.695 187 2HD2 LEU 24 2HD2 LEU 24 -6.778 3.012 -7.490 188 3HD2 LEU 24 3HD2 LEU 24 -6.553 2.340 -9.115 189 H GLY 25 H GLY 25 -2.784 6.000 -10.257 190 1HA GLY 25 1HA GLY 25 -3.065 8.067 -11.676 191 2HA GLY 25 2HA GLY 25 -3.946 8.739 -10.291 192 H CYS 26 H CYS 26 -2.927 8.787 -8.382 193 HA CYS 26 HA CYS 26 -0.287 8.372 -7.490 194 1HB CYS 26 1HB CYS 26 -0.858 11.295 -8.084 195 2HB CYS 26 2HB CYS 26 0.498 10.651 -7.163 196 H ASP 27 H ASP 27 -3.125 10.443 -7.504 197 HA ASP 27 HA ASP 27 -3.298 11.669 -5.114 198 1HB ASP 27 1HB ASP 27 -5.700 10.356 -6.445 199 2HB ASP 27 2HB ASP 27 -5.607 11.896 -5.587 200 H ALA 28 H ALA 28 -4.238 8.473 -6.006 201 HA ALA 28 HA ALA 28 -5.449 7.126 -4.095 202 1HB ALA 28 1HB ALA 28 -2.837 6.431 -5.506 203 2HB ALA 28 2HB ALA 28 -3.779 5.241 -4.602 204 3HB ALA 28 3HB ALA 28 -4.489 6.045 -6.023 205 H CYS 29 H CYS 29 -2.031 8.062 -3.921 206 HA CYS 29 HA CYS 29 -1.916 7.296 -1.020 207 1HB CYS 29 1HB CYS 29 0.309 7.108 -3.033 208 2HB CYS 29 2HB CYS 29 0.227 6.414 -1.395 209 H HIS 30 H HIS 30 -0.863 9.608 -3.557 210 HA HIS 30 HA HIS 30 0.521 11.277 -1.465 211 1HB HIS 30 1HB HIS 30 0.862 11.072 -4.444 212 2HB HIS 30 2HB HIS 30 1.658 12.232 -3.420 213 HD1 HIS 30 HND HIS 30 3.618 10.977 -1.603 214 HD2 HIS 30 HD HIS 30 2.033 8.884 -4.915 215 HE1 HIS 30 HE HIS 30 5.275 9.189 -2.275 216 H GLU 31 H GLU 31 -0.843 12.908 -0.847 217 HA GLU 31 HA GLU 31 -2.683 14.184 -2.760 218 1HB GLU 31 1HB GLU 31 -2.016 14.797 0.158 219 2HB GLU 31 2HB GLU 31 -3.274 15.603 -0.819 220 1HG GLU 31 1HG GLU 31 -4.373 13.433 -1.157 221 2HG GLU 31 2HG GLU 31 -3.190 12.677 -0.068 222 H GLY 32 H GLY 32 -1.440 16.479 -0.749 223 1HA GLY 32 1HA GLY 32 -1.024 18.343 -2.639 224 2HA GLY 32 2HA GLY 32 -0.248 18.422 -1.053 225 H THR 33 H THR 33 1.627 16.236 -1.406 226 HA THR 33 HA THR 33 3.179 16.744 -3.777 227 HB THR 33 HB THR 33 3.876 18.690 -2.499 228 HG1 THR 33 HG1 THR 33 6.078 18.221 -2.424 229 1HG2 THR 33 1HG2 THR 33 4.685 16.786 -0.250 230 2HG2 THR 33 2HG2 THR 33 4.982 18.532 -0.313 231 3HG2 THR 33 3HG2 THR 33 3.325 17.927 -0.191 232 HA PRO 34 HA PRO 34 3.577 12.669 -2.680 233 1HB PRO 34 1HB PRO 34 5.647 11.623 -4.161 234 2HB PRO 34 2HB PRO 34 4.061 12.108 -4.819 235 1HG PRO 34 1HG PRO 34 6.607 13.707 -4.738 236 2HG PRO 34 2HG PRO 34 5.465 13.506 -6.105 237 1HD PRO 34 1HD PRO 34 5.419 15.731 -4.521 238 2HD PRO 34 2HD PRO 34 3.910 14.998 -5.138 239 H ALA 35 H ALA 35 6.837 13.950 -2.686 240 HA ALA 35 HA ALA 35 8.740 13.275 -1.509 241 1HB ALA 35 1HB ALA 35 8.743 14.874 0.332 242 2HB ALA 35 2HB ALA 35 7.872 15.534 -1.063 243 3HB ALA 35 3HB ALA 35 6.964 14.909 0.332 244 H LYS 36 H LYS 36 7.638 10.868 -1.284 245 HA LYS 36 HA LYS 36 7.662 8.961 -0.157 246 1HB LYS 36 1HB LYS 36 9.273 10.475 1.945 247 2HB LYS 36 2HB LYS 36 8.895 8.767 2.007 248 1HG LYS 36 1HG LYS 36 9.978 8.628 -0.393 249 2HG LYS 36 2HG LYS 36 10.528 10.269 -0.055 250 1HD LYS 36 1HD LYS 36 12.291 8.707 0.427 251 2HD LYS 36 2HD LYS 36 11.755 9.477 1.924 252 1HE LYS 36 1HE LYS 36 11.345 7.437 2.848 253 2HE LYS 36 2HE LYS 36 10.144 7.103 1.608 254 1HZ LYS 36 1HZ LYS 36 12.963 6.348 1.340 255 2HZ LYS 36 2HZ LYS 36 11.573 5.412 1.515 256 3HZ LYS 36 3HZ LYS 36 11.753 6.206 0.183 257 H ILE 37 H ILE 37 6.342 7.752 1.087 258 HA ILE 37 HA ILE 37 4.877 9.138 3.303 259 HB ILE 37 HB ILE 37 2.767 7.925 2.396 260 1HG1 ILE 37 1HG1 ILE 37 4.342 8.199 -0.198 261 2HG1 ILE 37 2HG1 ILE 37 3.867 6.698 0.610 262 1HG2 ILE 37 1HG2 ILE 37 3.186 10.422 2.602 263 2HG2 ILE 37 2HG2 ILE 37 3.757 10.398 0.922 264 3HG2 ILE 37 3HG2 ILE 37 2.082 9.966 1.316 265 1HD1 ILE 37 1HD1 ILE 37 1.485 7.319 0.344 266 2HD1 ILE 37 2HD1 ILE 37 1.978 8.782 -0.542 267 3HD1 ILE 37 3HD1 ILE 37 2.351 7.200 -1.209 268 H ALA 38 H ALA 38 6.815 6.654 2.748 269 HA ALA 38 HA ALA 38 7.266 4.740 4.009 270 1HB ALA 38 1HB ALA 38 7.835 5.551 6.265 271 2HB ALA 38 2HB ALA 38 8.320 6.717 5.010 272 3HB ALA 38 3HB ALA 38 6.862 7.008 5.993 273 H ILE 39 H ILE 39 5.176 3.576 3.564 274 HA ILE 39 HA ILE 39 3.093 3.914 5.584 275 HB ILE 39 HB ILE 39 3.148 1.963 3.272 276 1HG1 ILE 39 1HG1 ILE 39 2.526 4.925 3.497 277 2HG1 ILE 39 2HG1 ILE 39 3.445 4.077 2.261 278 1HG2 ILE 39 1HG2 ILE 39 1.534 1.549 5.133 279 2HG2 ILE 39 2HG2 ILE 39 0.888 3.184 4.913 280 3HG2 ILE 39 3HG2 ILE 39 0.730 1.965 3.622 281 1HD1 ILE 39 1HD1 ILE 39 1.369 4.838 1.330 282 2HD1 ILE 39 2HD1 ILE 39 1.256 3.070 1.473 283 3HD1 ILE 39 3HD1 ILE 39 0.456 4.128 2.669 284 H ASP 40 H ASP 40 3.221 2.989 7.433 285 HA ASP 40 HA ASP 40 4.839 0.531 7.908 286 1HB ASP 40 1HB ASP 40 4.517 1.352 10.363 287 2HB ASP 40 2HB ASP 40 5.722 2.072 9.320 288 H LYS 41 H LYS 41 3.990 -1.019 9.383 289 HA LYS 41 HA LYS 41 1.632 -2.204 8.990 290 1HB LYS 41 1HB LYS 41 3.368 -3.009 10.559 291 2HB LYS 41 2HB LYS 41 2.823 -1.838 11.752 292 1HG LYS 41 1HG LYS 41 0.472 -3.031 11.516 293 2HG LYS 41 2HG LYS 41 1.346 -4.234 10.582 294 1HD LYS 41 1HD LYS 41 1.278 -5.104 12.769 295 2HD LYS 41 2HD LYS 41 2.923 -4.460 12.605 296 1HE LYS 41 1HE LYS 41 2.170 -2.349 13.784 297 2HE LYS 41 2HE LYS 41 0.548 -3.035 13.935 298 1HZ LYS 41 1HZ LYS 41 3.004 -4.122 15.144 299 2HZ LYS 41 2HZ LYS 41 1.829 -3.283 15.927 300 3HZ LYS 41 3HZ LYS 41 1.496 -4.768 15.308 301 H LYS 42 H LYS 42 2.064 0.357 11.415 302 HA LYS 42 HA LYS 42 -0.286 0.830 12.612 303 1HB LYS 42 1HB LYS 42 1.947 2.048 12.676 304 2HB LYS 42 2HB LYS 42 1.462 2.862 11.188 305 1HG LYS 42 1HG LYS 42 -0.674 3.464 12.764 306 2HG LYS 42 2HG LYS 42 0.585 3.281 13.993 307 1HD LYS 42 1HD LYS 42 0.547 5.123 11.560 308 2HD LYS 42 2HD LYS 42 0.448 5.633 13.244 309 1HE LYS 42 1HE LYS 42 2.723 5.718 13.444 310 2HE LYS 42 2HE LYS 42 2.911 4.088 12.821 311 1HZ LYS 42 1HZ LYS 42 2.668 4.983 10.566 312 2HZ LYS 42 2HZ LYS 42 2.832 6.532 11.186 313 3HZ LYS 42 3HZ LYS 42 3.992 5.338 11.300 314 H SER 43 H SER 43 0.514 2.032 9.302 315 HA SER 43 HA SER 43 -2.247 3.125 9.006 316 1HB SER 43 1HB SER 43 -1.028 4.316 7.090 317 2HB SER 43 2HB SER 43 -0.548 4.793 8.728 318 HG SER 43 HG SER 43 1.396 3.683 8.479 319 H ALA 44 H ALA 44 0.225 1.221 7.379 320 HA ALA 44 HA ALA 44 -0.973 0.190 5.138 321 1HB ALA 44 1HB ALA 44 0.182 -1.919 5.787 322 2HB ALA 44 2HB ALA 44 1.251 -0.479 6.003 323 3HB ALA 44 3HB ALA 44 0.481 -1.249 7.388 324 H HIS 45 H HIS 45 -1.459 -0.912 8.499 325 HA HIS 45 HA HIS 45 -3.500 -2.860 7.706 326 1HB HIS 45 1HB HIS 45 -2.336 -2.133 10.431 327 2HB HIS 45 2HB HIS 45 -3.543 -3.353 10.138 328 HD1 HIS 45 HND HIS 45 -2.204 -5.167 11.175 329 HD2 HIS 45 HD HIS 45 -0.593 -3.566 7.616 330 HE1 HIS 45 HE HIS 45 -0.694 -6.929 10.202 331 H LYS 46 H LYS 46 -4.226 -0.255 7.095 332 HA LYS 46 HA LYS 46 -6.529 0.245 6.871 333 1HB LYS 46 1HB LYS 46 -7.279 -1.135 8.781 334 2HB LYS 46 2HB LYS 46 -6.796 0.159 9.894 335 1HG LYS 46 1HG LYS 46 -8.833 0.449 7.648 336 2HG LYS 46 2HG LYS 46 -9.244 -0.028 9.288 337 1HD LYS 46 1HD LYS 46 -8.118 2.689 8.466 338 2HD LYS 46 2HD LYS 46 -9.754 2.292 8.917 339 1HE LYS 46 1HE LYS 46 -9.280 2.853 11.014 340 2HE LYS 46 2HE LYS 46 -8.308 1.385 11.151 341 1HZ LYS 46 1HZ LYS 46 -7.330 4.044 10.270 342 2HZ LYS 46 2HZ LYS 46 -7.053 3.404 11.756 343 3HZ LYS 46 3HZ LYS 46 -6.393 2.749 10.401 344 H ASP 47 H ASP 47 -5.911 2.083 6.092 345 HA ASP 47 HA ASP 47 -6.641 4.326 6.597 346 1HB ASP 47 1HB ASP 47 -3.965 4.279 8.054 347 2HB ASP 47 2HB ASP 47 -4.674 5.729 7.338 348 H ALA 48 H ALA 48 -3.674 2.776 5.769 349 HA ALA 48 HA ALA 48 -3.809 4.074 3.055 350 1HB ALA 48 1HB ALA 48 -1.557 3.028 2.773 351 2HB ALA 48 2HB ALA 48 -1.643 4.280 4.033 352 3HB ALA 48 3HB ALA 48 -1.596 2.576 4.502 353 H CYS 49 H CYS 49 -2.473 0.964 3.746 354 HA CYS 49 HA CYS 49 -3.348 0.187 1.176 355 1HB CYS 49 1HB CYS 49 -2.347 -1.761 3.234 356 2HB CYS 49 2HB CYS 49 -2.226 -1.898 1.496 357 H LYS 50 H LYS 50 -4.215 -1.380 4.318 358 HA LYS 50 HA LYS 50 -6.182 -3.047 3.129 359 1HB LYS 50 1HB LYS 50 -5.932 -2.103 6.008 360 2HB LYS 50 2HB LYS 50 -7.120 -3.280 5.432 361 1HG LYS 50 1HG LYS 50 -5.215 -4.666 4.517 362 2HG LYS 50 2HG LYS 50 -4.102 -3.575 5.373 363 1HD LYS 50 1HD LYS 50 -5.347 -4.196 7.528 364 2HD LYS 50 2HD LYS 50 -6.348 -5.276 6.572 365 1HE LYS 50 1HE LYS 50 -4.667 -6.604 7.669 366 2HE LYS 50 2HE LYS 50 -4.367 -6.628 5.928 367 1HZ LYS 50 1HZ LYS 50 -2.582 -5.037 6.284 368 2HZ LYS 50 2HZ LYS 50 -2.966 -4.920 7.873 369 3HZ LYS 50 3HZ LYS 50 -2.318 -6.283 7.283 370 H THR 51 H THR 51 -6.434 0.357 4.143 371 HA THR 51 HA THR 51 -9.348 0.336 4.222 372 HB THR 51 HB THR 51 -7.400 2.669 3.913 373 HG1 THR 51 HG1 THR 51 -8.040 2.835 6.175 374 1HG2 THR 51 1HG2 THR 51 -10.359 2.606 4.671 375 2HG2 THR 51 2HG2 THR 51 -9.296 4.029 4.749 376 3HG2 THR 51 3HG2 THR 51 -9.681 3.306 3.186 377 H CYS 52 H CYS 52 -6.870 1.491 1.899 378 HA CYS 52 HA CYS 52 -8.729 2.419 -0.030 379 1HB CYS 52 1HB CYS 52 -6.214 2.820 0.396 380 2HB CYS 52 2HB CYS 52 -5.957 1.408 -0.631 381 H HIS 53 H HIS 53 -7.022 -0.713 0.357 382 HA HIS 53 HA HIS 53 -8.246 -2.023 -1.877 383 1HB HIS 53 1HB HIS 53 -7.207 -3.069 0.772 384 2HB HIS 53 2HB HIS 53 -7.813 -4.086 -0.548 385 HD1 HIS 53 HND HIS 53 -5.166 -5.022 -0.245 386 HD2 HIS 53 HD HIS 53 -5.878 -1.396 -2.248 387 HE1 HIS 53 HE HIS 53 -3.123 -4.517 -1.668 388 H LYS 54 H LYS 54 -9.342 -1.860 1.596 389 HA LYS 54 HA LYS 54 -11.828 -3.259 1.106 390 1HB LYS 54 1HB LYS 54 -10.859 -1.542 3.397 391 2HB LYS 54 2HB LYS 54 -12.430 -2.342 3.362 392 1HG LYS 54 1HG LYS 54 -11.490 -4.523 3.226 393 2HG LYS 54 2HG LYS 54 -9.839 -3.895 3.044 394 1HD LYS 54 1HD LYS 54 -9.926 -2.818 5.223 395 2HD LYS 54 2HD LYS 54 -11.607 -3.287 5.462 396 1HE LYS 54 1HE LYS 54 -9.247 -5.227 5.205 397 2HE LYS 54 2HE LYS 54 -9.960 -4.695 6.735 398 1HZ LYS 54 1HZ LYS 54 -11.354 -6.231 4.643 399 2HZ LYS 54 2HZ LYS 54 -10.841 -6.799 6.096 400 3HZ LYS 54 3HZ LYS 54 -12.045 -5.682 6.034 401 H SER 55 H SER 55 -12.260 -1.991 -0.800 402 HA SER 55 HA SER 55 -14.442 -0.207 -0.662 403 1HB SER 55 1HB SER 55 -12.679 1.458 0.089 404 2HB SER 55 2HB SER 55 -11.808 1.169 -1.423 405 HG SER 55 HG SER 55 -13.789 1.873 -2.490 406 H ASN 56 H ASN 56 -11.452 -1.144 -2.379 407 HA ASN 56 HA ASN 56 -12.814 -1.456 -4.986 408 1HB ASN 56 1HB ASN 56 -9.957 -1.986 -4.020 409 2HB ASN 56 2HB ASN 56 -10.554 -2.291 -5.655 410 1HD2 ASN 56 1HD2 ASN 56 -9.745 0.325 -3.276 411 2HD2 ASN 56 2HD2 ASN 56 -9.765 1.567 -4.504 412 H ASN 57 H ASN 57 -10.859 -3.507 -2.803 413 HA ASN 57 HA ASN 57 -12.643 -5.486 -2.156 414 1HB ASN 57 1HB ASN 57 -12.622 -6.206 -4.564 415 2HB ASN 57 2HB ASN 57 -10.859 -6.335 -4.500 416 1HD2 ASN 57 1HD2 ASN 57 -9.944 -8.225 -3.502 417 2HD2 ASN 57 2HD2 ASN 57 -10.964 -9.507 -2.870 418 H GLY 58 H GLY 58 -11.413 -6.995 -0.652 419 1HA GLY 58 1HA GLY 58 -8.515 -6.584 -0.549 420 2HA GLY 58 2HA GLY 58 -9.430 -5.926 0.819 421 HA PRO 59 HA PRO 59 -8.940 -10.708 1.110 422 1HB PRO 59 1HB PRO 59 -6.400 -11.195 1.970 423 2HB PRO 59 2HB PRO 59 -6.762 -10.937 0.240 424 1HG PRO 59 1HG PRO 59 -5.773 -8.873 2.236 425 2HG PRO 59 2HG PRO 59 -5.085 -9.260 0.629 426 1HD PRO 59 1HD PRO 59 -6.820 -7.197 0.981 427 2HD PRO 59 2HD PRO 59 -6.859 -8.207 -0.497 428 H THR 60 H THR 60 -8.822 -11.917 3.109 429 HA THR 60 HA THR 60 -8.795 -10.327 5.632 430 HB THR 60 HB THR 60 -11.024 -11.490 6.095 431 HG1 THR 60 HG1 THR 60 -10.886 -13.062 4.454 432 1HG2 THR 60 1HG2 THR 60 -10.888 -9.099 5.358 433 2HG2 THR 60 2HG2 THR 60 -11.101 -9.640 3.675 434 3HG2 THR 60 3HG2 THR 60 -12.379 -9.930 4.862 435 H LYS 61 H LYS 61 -6.837 -12.278 4.572 436 HA LYS 61 HA LYS 61 -6.843 -14.061 6.869 437 1HB LYS 61 1HB LYS 61 -7.930 -14.900 4.328 438 2HB LYS 61 2HB LYS 61 -6.397 -15.725 4.483 439 1HG LYS 61 1HG LYS 61 -8.678 -15.738 6.505 440 2HG LYS 61 2HG LYS 61 -8.260 -17.019 5.358 441 1HD LYS 61 1HD LYS 61 -5.888 -16.983 6.508 442 2HD LYS 61 2HD LYS 61 -6.665 -16.035 7.768 443 1HE LYS 61 1HE LYS 61 -6.705 -18.268 8.556 444 2HE LYS 61 2HE LYS 61 -8.365 -17.884 8.082 445 1HZ LYS 61 1HZ LYS 61 -7.960 -19.088 6.021 446 2HZ LYS 61 2HZ LYS 61 -6.412 -19.414 6.477 447 3HZ LYS 61 3HZ LYS 61 -7.670 -20.052 7.319 448 H CYS 62 H CYS 62 -5.251 -11.879 6.013 449 HA CYS 62 HA CYS 62 -3.267 -11.140 5.435 450 1HB CYS 62 1HB CYS 62 -1.992 -13.701 6.351 451 2HB CYS 62 2HB CYS 62 -1.345 -12.045 6.396 452 H GLY 63 H GLY 63 -0.913 -12.531 4.505 453 1HA GLY 63 1HA GLY 63 0.061 -13.477 2.681 454 2HA GLY 63 2HA GLY 63 -1.442 -14.376 2.444 455 H GLY 64 H GLY 64 -1.917 -10.995 2.358 456 1HA GLY 64 1HA GLY 64 -2.493 -11.063 -0.519 457 2HA GLY 64 2HA GLY 64 -2.872 -9.798 0.656 458 H CYS 65 H CYS 65 -0.151 -9.586 1.659 459 HA CYS 65 HA CYS 65 0.945 -7.814 -0.501 460 1HB CYS 65 1HB CYS 65 0.584 -7.136 2.418 461 2HB CYS 65 2HB CYS 65 1.030 -6.046 1.105 462 H HIS 66 H HIS 66 1.532 -8.999 2.826 463 HA HIS 66 HA HIS 66 4.368 -9.232 2.708 464 1HB HIS 66 1HB HIS 66 2.298 -10.978 4.134 465 2HB HIS 66 2HB HIS 66 4.016 -10.934 4.454 466 HD1 HIS 66 HND HIS 66 4.996 -8.586 5.478 467 HD2 HIS 66 HD HIS 66 0.814 -9.087 5.422 468 HE1 HIS 66 HE HIS 66 3.993 -6.839 7.037 469 H ILE 67 H ILE 67 5.510 -10.552 1.276 470 HA ILE 67 HA ILE 67 4.142 -12.865 0.028 471 HB ILE 67 HB ILE 67 7.069 -12.106 -0.179 472 1HG1 ILE 67 1HG1 ILE 67 5.887 -10.099 -0.823 473 2HG1 ILE 67 2HG1 ILE 67 6.529 -10.899 -2.247 474 1HG2 ILE 67 1HG2 ILE 67 5.172 -13.712 -1.954 475 2HG2 ILE 67 2HG2 ILE 67 6.834 -13.261 -2.393 476 3HG2 ILE 67 3HG2 ILE 67 6.536 -14.343 -1.030 477 1HD1 ILE 67 1HD1 ILE 67 4.281 -10.021 -2.651 478 2HD1 ILE 67 2HD1 ILE 67 4.271 -11.784 -2.791 479 3HD1 ILE 67 3HD1 ILE 67 3.615 -10.996 -1.336 480 H LYS 68 H LYS 68 3.780 -13.308 2.577 481 HA LYS 68 HA LYS 68 4.966 -15.631 3.514 482 1HB LYS 68 1HB LYS 68 6.681 -13.240 3.865 483 2HB LYS 68 2HB LYS 68 6.249 -13.985 5.400 484 1HG LYS 68 1HG LYS 68 7.221 -16.072 4.821 485 2HG LYS 68 2HG LYS 68 7.511 -15.562 3.143 486 1HD LYS 68 1HD LYS 68 8.936 -13.703 3.932 487 2HD LYS 68 2HD LYS 68 8.660 -14.192 5.623 488 1HE LYS 68 1HE LYS 68 9.822 -16.327 5.208 489 2HE LYS 68 2HE LYS 68 10.013 -15.918 3.491 490 1HZ LYS 68 1HZ LYS 68 11.379 -14.060 4.132 491 2HZ LYS 68 2HZ LYS 68 11.193 -14.405 5.732 492 3HZ LYS 68 3HZ LYS 68 12.003 -15.449 4.750 493 HHA HEC 69 HCM HEC 69 8.431 7.507 -2.184 494 HHB HEC 69 HDM HEC 69 6.225 10.933 -7.116 495 HHC HEC 69 HAM HEC 69 1.352 6.815 -7.661 496 HHD HEC 69 HBM HEC 69 2.842 4.471 -1.943 497 1HMA HEC 69 HM81 HEC 69 8.319 12.114 -5.780 498 2HMA HEC 69 HM82 HEC 69 9.794 11.131 -5.857 499 3HMA HEC 69 HM83 HEC 69 8.594 10.997 -7.141 500 1HAA HEC 69 HP71 HEC 69 10.158 8.553 -3.085 501 2HAA HEC 69 HP72 HEC 69 10.631 9.314 -4.583 502 1HBA HEC 69 HP73 HEC 69 10.023 11.547 -3.635 503 2HBA HEC 69 HP74 HEC 69 9.591 10.747 -2.131 504 1HMB HEC 69 HM11 HEC 69 3.419 11.367 -9.582 505 2HMB HEC 69 HM12 HEC 69 4.461 11.965 -8.299 506 3HMB HEC 69 HM13 HEC 69 5.133 10.906 -9.568 507 HAB HEC 69 HT2A HEC 69 1.239 8.161 -9.250 508 1HBB HEC 69 HT21 HEC 69 3.104 9.672 -11.080 509 2HBB HEC 69 HT22 HEC 69 3.175 7.924 -10.785 510 3HBB HEC 69 HT23 HEC 69 1.716 8.656 -11.499 511 1HMC HEC 69 HM31 HEC 69 -0.584 6.100 -6.604 512 2HMC HEC 69 HM32 HEC 69 0.087 4.537 -7.126 513 3HMC HEC 69 HM33 HEC 69 -0.953 4.652 -5.694 514 HAC HEC 69 HT4A HEC 69 0.862 3.941 -2.314 515 1HBC HEC 69 HT41 HEC 69 -0.876 2.862 -4.515 516 2HBC HEC 69 HT42 HEC 69 0.779 2.238 -4.286 517 3HBC HEC 69 HT43 HEC 69 -0.421 2.150 -2.984 518 1HMD HEC 69 HM51 HEC 69 5.506 3.443 -0.135 519 2HMD HEC 69 HM52 HEC 69 5.166 4.826 0.896 520 3HMD HEC 69 HM53 HEC 69 3.860 4.119 -0.071 521 1HAD HEC 69 HP61 HEC 69 8.374 6.565 -0.351 522 2HAD HEC 69 HP62 HEC 69 7.307 5.745 0.729 523 1HBD HEC 69 HP63 HEC 69 8.021 3.619 0.058 524 2HBD HEC 69 HP64 HEC 69 8.516 4.197 -1.544 525 HHA HEC 70 HCM HEC 70 -3.747 -5.178 -6.614 526 HHB HEC 70 HDM HEC 70 0.279 -4.552 -1.674 527 HHC HEC 70 HAM HEC 70 -2.036 1.316 -0.621 528 HHD HEC 70 HBM HEC 70 -6.449 0.406 -5.081 529 1HMA HEC 70 HM81 HEC 70 0.456 -7.292 -4.377 530 2HMA HEC 70 HM82 HEC 70 1.131 -6.123 -3.239 531 3HMA HEC 70 HM83 HEC 70 -0.108 -7.284 -2.692 532 1HAA HEC 70 HP71 HEC 70 -1.671 -7.982 -5.117 533 2HAA HEC 70 HP72 HEC 70 -3.157 -7.266 -5.711 534 1HBA HEC 70 HP73 HEC 70 -1.856 -6.254 -7.612 535 2HBA HEC 70 HP74 HEC 70 -0.428 -7.126 -7.031 536 1HMB HEC 70 HM11 HEC 70 0.809 -2.539 1.458 537 2HMB HEC 70 HM12 HEC 70 0.237 -3.981 0.629 538 3HMB HEC 70 HM13 HEC 70 1.743 -3.200 0.102 539 HAB HEC 70 HT2A HEC 70 -0.443 1.043 0.672 540 1HBB HEC 70 HT21 HEC 70 2.024 -0.704 0.879 541 2HBB HEC 70 HT22 HEC 70 1.789 0.725 -0.131 542 3HBB HEC 70 HT23 HEC 70 1.804 0.871 1.636 543 1HMC HEC 70 HM31 HEC 70 -2.632 3.361 -1.558 544 2HMC HEC 70 HM32 HEC 70 -4.155 4.062 -2.100 545 3HMC HEC 70 HM33 HEC 70 -4.073 3.189 -0.552 546 HAC HEC 70 HT4A HEC 70 -7.219 1.685 -3.359 547 1HBC HEC 70 HT41 HEC 70 -5.644 4.083 -4.325 548 2HBC HEC 70 HT42 HEC 70 -6.423 2.833 -5.328 549 3HBC HEC 70 HT43 HEC 70 -7.414 3.952 -4.383 550 1HMD HEC 70 HM51 HEC 70 -8.018 -2.255 -7.245 551 2HMD HEC 70 HM52 HEC 70 -7.958 -0.897 -6.121 552 3HMD HEC 70 HM53 HEC 70 -7.236 -0.739 -7.736 553 1HAD HEC 70 HP61 HEC 70 -4.687 -4.217 -8.416 554 2HAD HEC 70 HP62 HEC 70 -6.387 -4.523 -8.046 555 1HBD HEC 70 HP63 HEC 70 -7.087 -2.705 -9.354 556 2HBD HEC 70 HP64 HEC 70 -5.589 -1.798 -9.076 557 HHA HEC 71 HCM HEC 71 4.292 -4.055 8.720 558 HHB HEC 71 HDM HEC 71 1.565 -9.374 10.969 559 HHC HEC 71 HAM HEC 71 -2.522 -9.289 6.081 560 HHD HEC 71 HBM HEC 71 0.406 -4.207 3.676 561 1HMA HEC 71 HM81 HEC 71 4.187 -8.879 11.902 562 2HMA HEC 71 HM82 HEC 71 4.203 -7.383 12.824 563 3HMA HEC 71 HM83 HEC 71 2.700 -8.303 12.699 564 1HAA HEC 71 HP71 HEC 71 5.102 -4.416 10.745 565 2HAA HEC 71 HP72 HEC 71 5.223 -5.609 12.009 566 1HBA HEC 71 HP73 HEC 71 6.241 -6.176 9.216 567 2HBA HEC 71 HP74 HEC 71 7.177 -5.203 10.359 568 1HMB HEC 71 HM11 HEC 71 -1.096 -12.015 10.328 569 2HMB HEC 71 HM12 HEC 71 0.583 -11.549 10.602 570 3HMB HEC 71 HM13 HEC 71 -0.719 -10.722 11.486 571 HAB HEC 71 HT2A HEC 71 -3.495 -10.291 7.674 572 1HBB HEC 71 HT21 HEC 71 -3.745 -9.342 9.901 573 2HBB HEC 71 HT22 HEC 71 -4.666 -10.838 9.661 574 3HBB HEC 71 HT23 HEC 71 -3.176 -10.866 10.614 575 1HMC HEC 71 HM31 HEC 71 -3.086 -8.064 2.626 576 2HMC HEC 71 HM32 HEC 71 -2.611 -9.323 3.772 577 3HMC HEC 71 HM33 HEC 71 -3.939 -8.221 4.177 578 HAC HEC 71 HT4A HEC 71 -1.149 -4.634 2.393 579 1HBC HEC 71 HT41 HEC 71 -3.323 -4.596 1.404 580 2HBC HEC 71 HT42 HEC 71 -3.892 -5.877 2.494 581 3HBC HEC 71 HT43 HEC 71 -3.384 -4.293 3.137 582 1HMD HEC 71 HM51 HEC 71 3.239 -1.829 3.932 583 2HMD HEC 71 HM52 HEC 71 2.167 -2.987 3.156 584 3HMD HEC 71 HM53 HEC 71 1.505 -1.690 4.108 585 1HAD HEC 71 HP61 HEC 71 4.608 -1.865 5.495 586 2HAD HEC 71 HP62 HEC 71 4.104 -1.510 7.105 587 1HBD HEC 71 HP63 HEC 71 5.734 -3.993 6.836 588 2HBD HEC 71 HP64 HEC 71 6.506 -2.554 6.186 Start of MODEL 28 1 1H ALA 1 1H ALA 1 10.410 3.956 -10.909 2 2H ALA 1 2H ALA 1 11.472 5.158 -10.440 3 3H ALA 1 3H ALA 1 11.541 3.616 -9.833 4 HA ALA 1 HA ALA 1 10.491 4.660 -8.096 5 1HB ALA 1 1HB ALA 1 10.297 6.849 -9.189 6 2HB ALA 1 2HB ALA 1 8.959 6.254 -10.196 7 3HB ALA 1 3HB ALA 1 8.763 6.386 -8.434 8 H ASP 2 H ASP 2 10.106 2.169 -8.613 9 HA ASP 2 HA ASP 2 7.319 1.650 -9.384 10 1HB ASP 2 1HB ASP 2 9.858 0.259 -10.320 11 2HB ASP 2 2HB ASP 2 8.214 -0.140 -10.832 12 H VAL 3 H VAL 3 8.455 -1.297 -9.210 13 HA VAL 3 HA VAL 3 7.080 -1.778 -6.794 14 HB VAL 3 HB VAL 3 7.915 -4.076 -6.943 15 1HG1 VAL 3 1HG1 VAL 3 5.985 -3.397 -8.257 16 2HG1 VAL 3 2HG1 VAL 3 7.021 -2.922 -9.621 17 3HG1 VAL 3 3HG1 VAL 3 6.915 -4.621 -9.123 18 1HG2 VAL 3 1HG2 VAL 3 10.211 -3.780 -7.726 19 2HG2 VAL 3 2HG2 VAL 3 9.315 -4.782 -8.867 20 3HG2 VAL 3 3HG2 VAL 3 9.642 -3.086 -9.260 21 H VAL 4 H VAL 4 7.629 -1.794 -4.635 22 HA VAL 4 HA VAL 4 10.509 -1.860 -3.915 23 HB VAL 4 HB VAL 4 8.450 0.120 -2.900 24 1HG1 VAL 4 1HG1 VAL 4 9.676 -0.768 -0.937 25 2HG1 VAL 4 2HG1 VAL 4 11.214 -0.595 -1.789 26 3HG1 VAL 4 3HG1 VAL 4 10.281 0.840 -1.320 27 1HG2 VAL 4 1HG2 VAL 4 10.192 1.776 -3.511 28 2HG2 VAL 4 2HG2 VAL 4 11.214 0.465 -4.140 29 3HG2 VAL 4 3HG2 VAL 4 9.667 0.850 -4.923 30 H THR 5 H THR 5 10.819 -2.850 -1.903 31 HA THR 5 HA THR 5 8.441 -3.227 -0.397 32 HB THR 5 HB THR 5 8.730 -5.534 -1.199 33 HG1 THR 5 HG1 THR 5 10.081 -5.285 1.275 34 1HG2 THR 5 1HG2 THR 5 10.988 -5.473 -2.102 35 2HG2 THR 5 2HG2 THR 5 11.679 -5.294 -0.473 36 3HG2 THR 5 3HG2 THR 5 10.856 -6.795 -0.937 37 H TYR 6 H TYR 6 8.706 -3.298 1.672 38 HA TYR 6 HA TYR 6 10.840 -1.619 2.754 39 1HB TYR 6 1HB TYR 6 8.403 -2.964 3.889 40 2HB TYR 6 2HB TYR 6 9.401 -1.861 4.828 41 HD1 TYR 6 HD1 TYR 6 9.917 0.442 3.202 42 HD2 TYR 6 HD2 TYR 6 6.369 -1.999 3.250 43 HE1 TYR 6 HE1 TYR 6 8.591 2.326 2.301 44 HE2 TYR 6 HE2 TYR 6 5.042 -0.093 2.438 45 HH TYR 6 HH TYR 6 5.073 2.069 1.826 46 H GLU 7 H GLU 7 9.623 -4.906 3.219 47 HA GLU 7 HA GLU 7 10.770 -6.868 3.651 48 1HB GLU 7 1HB GLU 7 12.930 -5.594 3.240 49 2HB GLU 7 2HB GLU 7 12.962 -5.401 5.015 50 1HG GLU 7 1HG GLU 7 13.109 -8.003 3.459 51 2HG GLU 7 2HG GLU 7 14.464 -7.145 4.171 52 H ASN 8 H ASN 8 10.636 -8.115 5.661 53 HA ASN 8 HA ASN 8 9.796 -6.857 8.112 54 1HB ASN 8 1HB ASN 8 7.615 -7.902 6.247 55 2HB ASN 8 2HB ASN 8 7.402 -7.712 7.986 56 1HD2 ASN 8 1HD2 ASN 8 7.530 -6.057 4.939 57 2HD2 ASN 8 2HD2 ASN 8 7.296 -4.426 5.587 58 H LYS 9 H LYS 9 9.224 -8.420 9.697 59 HA LYS 9 HA LYS 9 10.303 -11.139 9.045 60 1HB LYS 9 1HB LYS 9 10.065 -9.460 11.547 61 2HB LYS 9 2HB LYS 9 10.248 -11.214 11.645 62 1HG LYS 9 1HG LYS 9 12.438 -10.453 11.820 63 2HG LYS 9 2HG LYS 9 12.267 -11.083 10.180 64 1HD LYS 9 1HD LYS 9 11.717 -8.380 9.792 65 2HD LYS 9 2HD LYS 9 12.805 -8.289 11.151 66 1HE LYS 9 1HE LYS 9 13.299 -9.636 8.432 67 2HE LYS 9 2HE LYS 9 13.947 -8.085 8.965 68 1HZ LYS 9 1HZ LYS 9 15.540 -9.819 9.152 69 2HZ LYS 9 2HZ LYS 9 15.205 -9.204 10.641 70 3HZ LYS 9 3HZ LYS 9 14.596 -10.672 10.198 71 H LYS 10 H LYS 10 7.631 -10.071 8.380 72 HA LYS 10 HA LYS 10 6.328 -12.635 9.159 73 1HB LYS 10 1HB LYS 10 4.637 -10.544 7.777 74 2HB LYS 10 2HB LYS 10 4.180 -11.894 8.769 75 1HG LYS 10 1HG LYS 10 5.201 -9.159 9.483 76 2HG LYS 10 2HG LYS 10 3.644 -9.854 9.878 77 1HD LYS 10 1HD LYS 10 6.322 -10.259 11.211 78 2HD LYS 10 2HD LYS 10 4.832 -9.779 11.941 79 1HE LYS 10 1HE LYS 10 4.074 -11.910 12.289 80 2HE LYS 10 2HE LYS 10 4.763 -12.551 10.805 81 1HZ LYS 10 1HZ LYS 10 6.932 -12.465 11.782 82 2HZ LYS 10 2HZ LYS 10 6.317 -11.937 13.214 83 3HZ LYS 10 3HZ LYS 10 5.922 -13.435 12.647 84 H GLY 11 H GLY 11 6.001 -10.343 6.446 85 1HA GLY 11 1HA GLY 11 7.606 -11.963 4.644 86 2HA GLY 11 2HA GLY 11 5.869 -11.855 4.260 87 H ASN 12 H ASN 12 8.432 -10.610 3.184 88 HA ASN 12 HA ASN 12 8.725 -7.785 3.474 89 1HB ASN 12 1HB ASN 12 9.037 -9.737 1.133 90 2HB ASN 12 2HB ASN 12 9.506 -8.049 1.050 91 1HD2 ASN 12 1HD2 ASN 12 9.928 -9.616 4.193 92 2HD2 ASN 12 2HD2 ASN 12 11.641 -9.541 4.167 93 H VAL 13 H VAL 13 7.531 -6.136 2.737 94 HA VAL 13 HA VAL 13 4.783 -6.618 1.773 95 HB VAL 13 HB VAL 13 6.360 -4.313 2.965 96 1HG1 VAL 13 1HG1 VAL 13 4.961 -3.191 1.275 97 2HG1 VAL 13 2HG1 VAL 13 3.553 -4.139 1.790 98 3HG1 VAL 13 3HG1 VAL 13 4.332 -2.944 2.873 99 1HG2 VAL 13 1HG2 VAL 13 3.722 -5.587 3.814 100 2HG2 VAL 13 2HG2 VAL 13 5.293 -6.174 4.375 101 3HG2 VAL 13 3HG2 VAL 13 4.792 -4.523 4.756 102 H THR 14 H THR 14 5.085 -7.209 -0.416 103 HA THR 14 HA THR 14 6.691 -5.444 -2.148 104 HB THR 14 HB THR 14 6.641 -7.819 -2.566 105 HG1 THR 14 HG1 THR 14 5.421 -6.415 -4.689 106 1HG2 THR 14 1HG2 THR 14 4.791 -8.987 -3.535 107 2HG2 THR 14 2HG2 THR 14 4.250 -8.331 -1.978 108 3HG2 THR 14 3HG2 THR 14 3.752 -7.557 -3.495 109 H PHE 15 H PHE 15 5.953 -3.454 -2.671 110 HA PHE 15 HA PHE 15 3.042 -3.145 -3.244 111 1HB PHE 15 1HB PHE 15 2.969 -1.029 -2.215 112 2HB PHE 15 2HB PHE 15 3.614 -2.165 -1.055 113 HD1 PHE 15 HD1 PHE 15 4.240 0.923 -2.901 114 HD2 PHE 15 HD2 PHE 15 6.070 -2.163 -0.507 115 HE1 PHE 15 HE1 PHE 15 5.961 2.533 -2.122 116 HE2 PHE 15 HE2 PHE 15 7.740 -0.538 0.311 117 HZ PHE 15 HZ PHE 15 7.619 1.826 -0.395 118 H ASP 16 H ASP 16 2.614 -2.332 -5.182 119 HA ASP 16 HA ASP 16 4.914 -1.716 -6.941 120 1HB ASP 16 1HB ASP 16 3.416 -3.599 -7.500 121 2HB ASP 16 2HB ASP 16 2.094 -2.448 -7.730 122 H HIS 17 H HIS 17 5.324 0.339 -6.449 123 HA HIS 17 HA HIS 17 3.629 2.483 -5.980 124 1HB HIS 17 1HB HIS 17 6.106 2.313 -5.613 125 2HB HIS 17 2HB HIS 17 6.356 2.469 -7.354 126 HD1 HIS 17 HND HIS 17 6.496 4.881 -8.292 127 HD2 HIS 17 HD HIS 17 4.855 4.522 -4.442 128 HE1 HIS 17 HE HIS 17 6.112 7.268 -7.412 129 H LYS 18 H LYS 18 5.374 1.940 -9.039 130 HA LYS 18 HA LYS 18 4.033 3.822 -10.645 131 1HB LYS 18 1HB LYS 18 5.727 3.410 -11.889 132 2HB LYS 18 2HB LYS 18 6.175 2.072 -10.953 133 1HG LYS 18 1HG LYS 18 4.067 1.689 -13.038 134 2HG LYS 18 2HG LYS 18 5.789 1.764 -13.387 135 1HD LYS 18 1HD LYS 18 6.391 -0.146 -12.382 136 2HD LYS 18 2HD LYS 18 5.223 0.034 -11.095 137 1HE LYS 18 1HE LYS 18 3.394 -0.594 -12.809 138 2HE LYS 18 2HE LYS 18 4.704 -1.000 -13.921 139 1HZ LYS 18 1HZ LYS 18 4.251 -2.209 -11.240 140 2HZ LYS 18 2HZ LYS 18 3.902 -2.917 -12.653 141 3HZ LYS 18 3HZ LYS 18 5.468 -2.612 -12.249 142 H ALA 19 H ALA 19 3.299 0.280 -10.331 143 HA ALA 19 HA ALA 19 1.081 0.281 -12.074 144 1HB ALA 19 1HB ALA 19 0.177 -1.546 -10.738 145 2HB ALA 19 2HB ALA 19 1.911 -1.762 -11.054 146 3HB ALA 19 3HB ALA 19 1.335 -1.146 -9.456 147 H HIS 20 H HIS 20 1.095 0.906 -8.494 148 HA HIS 20 HA HIS 20 -1.729 1.387 -8.322 149 1HB HIS 20 1HB HIS 20 0.658 2.176 -6.613 150 2HB HIS 20 2HB HIS 20 -0.959 2.783 -6.295 151 HD1 HIS 20 HND HIS 20 0.544 -0.754 -6.803 152 HD2 HIS 20 HD HIS 20 -2.317 1.388 -4.613 153 HE1 HIS 20 HE HIS 20 -0.714 -2.466 -5.312 154 H ALA 21 H ALA 21 1.045 3.371 -9.204 155 HA ALA 21 HA ALA 21 -0.352 5.904 -9.128 156 1HB ALA 21 1HB ALA 21 2.144 5.660 -9.172 157 2HB ALA 21 2HB ALA 21 2.038 5.254 -10.891 158 3HB ALA 21 3HB ALA 21 1.470 6.833 -10.335 159 H GLU 22 H GLU 22 0.340 3.741 -11.869 160 HA GLU 22 HA GLU 22 -1.084 5.432 -13.743 161 1HB GLU 22 1HB GLU 22 -0.631 3.752 -15.422 162 2HB GLU 22 2HB GLU 22 0.811 4.086 -14.460 163 1HG GLU 22 1HG GLU 22 0.242 2.012 -13.105 164 2HG GLU 22 2HG GLU 22 -0.969 1.626 -14.340 165 H LYS 23 H LYS 23 -1.897 2.403 -12.041 166 HA LYS 23 HA LYS 23 -4.453 2.049 -13.239 167 1HB LYS 23 1HB LYS 23 -3.386 1.184 -10.514 168 2HB LYS 23 2HB LYS 23 -4.867 0.568 -11.241 169 1HG LYS 23 1HG LYS 23 -2.167 0.353 -12.645 170 2HG LYS 23 2HG LYS 23 -2.675 -0.854 -11.489 171 1HD LYS 23 1HD LYS 23 -4.627 -0.116 -13.667 172 2HD LYS 23 2HD LYS 23 -3.137 -0.893 -14.174 173 1HE LYS 23 1HE LYS 23 -4.915 -2.574 -13.816 174 2HE LYS 23 2HE LYS 23 -3.527 -2.832 -12.752 175 1HZ LYS 23 1HZ LYS 23 -4.770 -1.763 -10.986 176 2HZ LYS 23 2HZ LYS 23 -6.069 -1.558 -11.974 177 3HZ LYS 23 3HZ LYS 23 -5.578 -3.074 -11.560 178 H LEU 24 H LEU 24 -3.449 3.794 -10.271 179 HA LEU 24 HA LEU 24 -6.284 4.482 -9.727 180 1HB LEU 24 1HB LEU 24 -3.878 5.128 -8.025 181 2HB LEU 24 2HB LEU 24 -5.580 5.124 -7.572 182 HG LEU 24 HG LEU 24 -4.127 2.574 -8.433 183 1HD1 LEU 24 1HD1 LEU 24 -3.852 2.037 -6.126 184 2HD1 LEU 24 2HD1 LEU 24 -3.025 3.573 -6.461 185 3HD1 LEU 24 3HD1 LEU 24 -4.565 3.575 -5.610 186 1HD2 LEU 24 1HD2 LEU 24 -6.565 2.440 -8.594 187 2HD2 LEU 24 2HD2 LEU 24 -5.935 1.488 -7.240 188 3HD2 LEU 24 3HD2 LEU 24 -6.727 3.048 -6.928 189 H GLY 25 H GLY 25 -3.085 6.255 -10.060 190 1HA GLY 25 1HA GLY 25 -3.551 8.154 -11.698 191 2HA GLY 25 2HA GLY 25 -4.534 8.818 -10.370 192 H CYS 26 H CYS 26 -3.502 9.129 -8.320 193 HA CYS 26 HA CYS 26 -0.737 8.918 -7.746 194 1HB CYS 26 1HB CYS 26 -0.796 10.767 -9.746 195 2HB CYS 26 2HB CYS 26 -1.329 11.808 -8.453 196 H ASP 27 H ASP 27 -3.430 10.949 -7.667 197 HA ASP 27 HA ASP 27 -3.682 12.322 -5.255 198 1HB ASP 27 1HB ASP 27 -6.091 11.982 -5.738 199 2HB ASP 27 2HB ASP 27 -5.199 12.534 -7.158 200 H ALA 28 H ALA 28 -4.435 9.048 -6.169 201 HA ALA 28 HA ALA 28 -5.585 7.739 -4.149 202 1HB ALA 28 1HB ALA 28 -4.757 6.682 -6.170 203 2HB ALA 28 2HB ALA 28 -3.072 6.897 -5.658 204 3HB ALA 28 3HB ALA 28 -4.123 5.780 -4.773 205 H CYS 29 H CYS 29 -2.175 8.722 -4.111 206 HA CYS 29 HA CYS 29 -2.028 8.111 -1.170 207 1HB CYS 29 1HB CYS 29 0.148 7.669 -3.184 208 2HB CYS 29 2HB CYS 29 0.166 7.238 -1.462 209 H HIS 30 H HIS 30 -0.918 10.203 -3.879 210 HA HIS 30 HA HIS 30 0.337 12.047 -1.860 211 1HB HIS 30 1HB HIS 30 1.090 11.648 -4.742 212 2HB HIS 30 2HB HIS 30 1.799 12.787 -3.617 213 HD1 HIS 30 HND HIS 30 3.414 11.564 -1.636 214 HD2 HIS 30 HD HIS 30 2.081 9.359 -4.931 215 HE1 HIS 30 HE HIS 30 5.151 9.669 -2.087 216 H GLU 31 H GLU 31 -1.236 13.470 -1.559 217 HA GLU 31 HA GLU 31 -3.171 14.267 -3.578 218 1HB GLU 31 1HB GLU 31 -2.483 15.824 -1.018 219 2HB GLU 31 2HB GLU 31 -3.974 15.832 -1.967 220 1HG GLU 31 1HG GLU 31 -4.070 13.336 -1.505 221 2HG GLU 31 2HG GLU 31 -2.860 13.583 -0.238 222 H GLY 32 H GLY 32 -0.544 15.837 -1.978 223 1HA GLY 32 1HA GLY 32 -0.018 17.716 -4.283 224 2HA GLY 32 2HA GLY 32 0.222 18.133 -2.578 225 H THR 33 H THR 33 2.426 18.485 -2.648 226 HA THR 33 HA THR 33 4.416 17.364 -4.008 227 HB THR 33 HB THR 33 4.620 18.047 -1.050 228 HG1 THR 33 HG1 THR 33 4.581 20.211 -1.781 229 1HG2 THR 33 1HG2 THR 33 6.425 18.666 -3.442 230 2HG2 THR 33 2HG2 THR 33 6.736 19.102 -1.749 231 3HG2 THR 33 3HG2 THR 33 6.730 17.397 -2.234 232 HA PRO 34 HA PRO 34 3.826 13.246 -2.633 233 1HB PRO 34 1HB PRO 34 5.829 11.841 -3.939 234 2HB PRO 34 2HB PRO 34 4.288 12.381 -4.659 235 1HG PRO 34 1HG PRO 34 6.960 13.739 -4.760 236 2HG PRO 34 2HG PRO 34 5.773 13.500 -6.086 237 1HD PRO 34 1HD PRO 34 5.982 15.875 -4.764 238 2HD PRO 34 2HD PRO 34 4.382 15.239 -5.263 239 H ALA 35 H ALA 35 7.250 14.151 -2.667 240 HA ALA 35 HA ALA 35 8.993 13.912 -1.249 241 1HB ALA 35 1HB ALA 35 8.580 15.142 0.817 242 2HB ALA 35 2HB ALA 35 7.687 15.875 -0.524 243 3HB ALA 35 3HB ALA 35 6.831 14.863 0.661 244 H LYS 36 H LYS 36 7.567 11.383 -1.406 245 HA LYS 36 HA LYS 36 7.200 9.444 -0.591 246 1HB LYS 36 1HB LYS 36 8.851 8.326 0.681 247 2HB LYS 36 2HB LYS 36 9.547 9.197 -0.666 248 1HG LYS 36 1HG LYS 36 10.598 10.767 0.699 249 2HG LYS 36 2HG LYS 36 9.602 10.411 2.126 250 1HD LYS 36 1HD LYS 36 11.400 8.342 0.808 251 2HD LYS 36 2HD LYS 36 12.002 9.412 2.081 252 1HE LYS 36 1HE LYS 36 10.559 8.544 3.733 253 2HE LYS 36 2HE LYS 36 9.421 7.874 2.609 254 1HZ LYS 36 1HZ LYS 36 11.912 6.586 3.361 255 2HZ LYS 36 2HZ LYS 36 10.343 6.013 3.134 256 3HZ LYS 36 3HZ LYS 36 11.203 6.299 1.876 257 H ILE 37 H ILE 37 6.366 8.070 0.941 258 HA ILE 37 HA ILE 37 4.803 9.700 2.880 259 HB ILE 37 HB ILE 37 4.074 6.943 1.938 260 1HG1 ILE 37 1HG1 ILE 37 3.766 9.546 0.420 261 2HG1 ILE 37 2HG1 ILE 37 4.548 8.031 -0.086 262 1HG2 ILE 37 1HG2 ILE 37 1.795 7.759 2.403 263 2HG2 ILE 37 2HG2 ILE 37 2.807 8.048 3.817 264 3HG2 ILE 37 3HG2 ILE 37 2.416 9.389 2.723 265 1HD1 ILE 37 1HD1 ILE 37 2.441 8.149 -1.219 266 2HD1 ILE 37 2HD1 ILE 37 2.278 6.909 0.039 267 3HD1 ILE 37 3HD1 ILE 37 1.569 8.528 0.268 268 H ALA 38 H ALA 38 6.585 6.737 2.666 269 HA ALA 38 HA ALA 38 7.309 5.158 4.156 270 1HB ALA 38 1HB ALA 38 8.408 7.041 5.278 271 2HB ALA 38 2HB ALA 38 6.985 7.270 6.321 272 3HB ALA 38 3HB ALA 38 7.912 5.762 6.406 273 H ILE 39 H ILE 39 5.355 4.128 3.439 274 HA ILE 39 HA ILE 39 3.108 4.109 5.377 275 HB ILE 39 HB ILE 39 3.395 2.777 2.697 276 1HG1 ILE 39 1HG1 ILE 39 2.933 5.165 2.547 277 2HG1 ILE 39 2HG1 ILE 39 1.518 4.201 2.159 278 1HG2 ILE 39 1HG2 ILE 39 2.126 1.231 3.909 279 2HG2 ILE 39 2HG2 ILE 39 1.397 2.475 4.947 280 3HG2 ILE 39 3HG2 ILE 39 0.874 2.305 3.267 281 1HD1 ILE 39 1HD1 ILE 39 0.704 4.636 4.550 282 2HD1 ILE 39 2HD1 ILE 39 1.977 5.870 4.645 283 3HD1 ILE 39 3HD1 ILE 39 0.690 6.004 3.437 284 H ASP 40 H ASP 40 4.030 3.431 7.034 285 HA ASP 40 HA ASP 40 5.664 0.923 7.151 286 1HB ASP 40 1HB ASP 40 5.075 2.936 9.350 287 2HB ASP 40 2HB ASP 40 6.316 1.669 9.367 288 H LYS 41 H LYS 41 5.022 -0.502 9.117 289 HA LYS 41 HA LYS 41 2.512 -1.472 9.178 290 1HB LYS 41 1HB LYS 41 2.948 -2.139 11.538 291 2HB LYS 41 2HB LYS 41 4.165 -2.575 10.382 292 1HG LYS 41 1HG LYS 41 5.755 -1.711 11.577 293 2HG LYS 41 2HG LYS 41 5.088 -0.093 11.435 294 1HD LYS 41 1HD LYS 41 3.624 -0.530 13.412 295 2HD LYS 41 2HD LYS 41 4.277 -2.183 13.506 296 1HE LYS 41 1HE LYS 41 6.579 -1.241 13.820 297 2HE LYS 41 2HE LYS 41 5.900 0.395 13.816 298 1HZ LYS 41 1HZ LYS 41 6.251 -0.426 16.031 299 2HZ LYS 41 2HZ LYS 41 4.639 -0.210 15.782 300 3HZ LYS 41 3HZ LYS 41 5.284 -1.728 15.768 301 H LYS 42 H LYS 42 3.556 1.217 11.236 302 HA LYS 42 HA LYS 42 1.193 1.667 12.650 303 1HB LYS 42 1HB LYS 42 1.981 4.024 12.910 304 2HB LYS 42 2HB LYS 42 3.093 2.760 13.433 305 1HG LYS 42 1HG LYS 42 4.567 3.110 11.615 306 2HG LYS 42 2HG LYS 42 3.387 4.094 10.711 307 1HD LYS 42 1HD LYS 42 3.583 5.929 12.219 308 2HD LYS 42 2HD LYS 42 4.287 4.926 13.482 309 1HE LYS 42 1HE LYS 42 5.974 6.403 12.616 310 2HE LYS 42 2HE LYS 42 6.408 4.726 12.273 311 1HZ LYS 42 1HZ LYS 42 5.165 6.488 10.237 312 2HZ LYS 42 2HZ LYS 42 6.787 6.274 10.432 313 3HZ LYS 42 3HZ LYS 42 5.929 5.032 10.010 314 H SER 43 H SER 43 1.908 2.772 9.302 315 HA SER 43 HA SER 43 -0.625 4.333 9.270 316 1HB SER 43 1HB SER 43 0.467 4.725 6.865 317 2HB SER 43 2HB SER 43 0.881 5.655 8.311 318 HG SER 43 HG SER 43 2.790 5.003 7.319 319 H ALA 44 H ALA 44 1.145 1.939 7.389 320 HA ALA 44 HA ALA 44 -0.459 0.956 5.464 321 1HB ALA 44 1HB ALA 44 0.523 -1.261 6.030 322 2HB ALA 44 2HB ALA 44 1.739 0.052 5.942 323 3HB ALA 44 3HB ALA 44 1.184 -0.576 7.506 324 H HIS 45 H HIS 45 -0.636 -0.084 8.860 325 HA HIS 45 HA HIS 45 -2.925 -1.872 8.225 326 1HB HIS 45 1HB HIS 45 -0.902 -1.692 10.409 327 2HB HIS 45 2HB HIS 45 -2.510 -2.183 10.888 328 HD1 HIS 45 HND HIS 45 -2.519 -4.656 11.138 329 HD2 HIS 45 HD HIS 45 -0.191 -3.324 7.911 330 HE1 HIS 45 HE HIS 45 -1.535 -6.723 10.059 331 H LYS 46 H LYS 46 -2.572 1.362 9.200 332 HA LYS 46 HA LYS 46 -4.976 1.353 10.950 333 1HB LYS 46 1HB LYS 46 -2.922 2.442 11.724 334 2HB LYS 46 2HB LYS 46 -2.915 3.523 10.337 335 1HG LYS 46 1HG LYS 46 -5.087 3.383 12.481 336 2HG LYS 46 2HG LYS 46 -3.731 4.528 12.437 337 1HD LYS 46 1HD LYS 46 -4.565 5.330 10.192 338 2HD LYS 46 2HD LYS 46 -6.031 4.352 10.463 339 1HE LYS 46 1HE LYS 46 -6.516 5.599 12.524 340 2HE LYS 46 2HE LYS 46 -5.137 6.672 12.196 341 1HZ LYS 46 1HZ LYS 46 -7.307 7.517 11.368 342 2HZ LYS 46 2HZ LYS 46 -6.212 7.315 10.147 343 3HZ LYS 46 3HZ LYS 46 -7.393 6.228 10.336 344 H ASP 47 H ASP 47 -3.614 3.369 8.323 345 HA ASP 47 HA ASP 47 -5.980 3.143 6.689 346 1HB ASP 47 1HB ASP 47 -5.520 5.744 8.178 347 2HB ASP 47 2HB ASP 47 -6.153 5.749 6.545 348 H ALA 48 H ALA 48 -4.354 2.249 5.414 349 HA ALA 48 HA ALA 48 -3.710 4.211 3.455 350 1HB ALA 48 1HB ALA 48 -1.272 3.610 3.179 351 2HB ALA 48 2HB ALA 48 -1.646 4.606 4.594 352 3HB ALA 48 3HB ALA 48 -1.324 2.883 4.805 353 H CYS 49 H CYS 49 -2.111 1.040 4.025 354 HA CYS 49 HA CYS 49 -3.146 0.120 1.472 355 1HB CYS 49 1HB CYS 49 -1.853 -1.596 3.525 356 2HB CYS 49 2HB CYS 49 -1.842 -1.817 1.790 357 H LYS 50 H LYS 50 -3.585 -0.956 4.937 358 HA LYS 50 HA LYS 50 -6.115 -2.305 4.227 359 1HB LYS 50 1HB LYS 50 -4.799 -1.799 6.917 360 2HB LYS 50 2HB LYS 50 -6.331 -2.638 6.641 361 1HG LYS 50 1HG LYS 50 -4.770 -4.003 4.904 362 2HG LYS 50 2HG LYS 50 -3.554 -3.624 6.127 363 1HD LYS 50 1HD LYS 50 -6.284 -4.950 6.555 364 2HD LYS 50 2HD LYS 50 -4.732 -5.805 6.521 365 1HE LYS 50 1HE LYS 50 -3.968 -4.736 8.523 366 2HE LYS 50 2HE LYS 50 -5.297 -3.571 8.543 367 1HZ LYS 50 1HZ LYS 50 -6.822 -5.350 8.939 368 2HZ LYS 50 2HZ LYS 50 -5.606 -6.465 8.941 369 3HZ LYS 50 3HZ LYS 50 -5.672 -5.302 10.107 370 H THR 51 H THR 51 -6.616 -0.093 3.208 371 HA THR 51 HA THR 51 -8.998 0.411 4.679 372 HB THR 51 HB THR 51 -7.607 2.124 5.773 373 HG1 THR 51 HG1 THR 51 -9.133 3.537 5.836 374 1HG2 THR 51 1HG2 THR 51 -6.258 2.876 3.789 375 2HG2 THR 51 2HG2 THR 51 -7.721 3.618 3.105 376 3HG2 THR 51 3HG2 THR 51 -7.058 4.212 4.632 377 H CYS 52 H CYS 52 -6.942 1.447 1.910 378 HA CYS 52 HA CYS 52 -9.028 2.049 0.127 379 1HB CYS 52 1HB CYS 52 -6.200 1.096 -0.121 380 2HB CYS 52 2HB CYS 52 -7.269 0.853 -1.502 381 H HIS 53 H HIS 53 -7.470 -1.164 0.540 382 HA HIS 53 HA HIS 53 -9.017 -2.117 -1.594 383 1HB HIS 53 1HB HIS 53 -7.533 -3.991 0.243 384 2HB HIS 53 2HB HIS 53 -7.851 -4.149 -1.472 385 HD1 HIS 53 HND HIS 53 -5.565 -2.171 0.968 386 HD2 HIS 53 HD HIS 53 -5.985 -3.008 -3.158 387 HE1 HIS 53 HE HIS 53 -3.463 -1.470 -0.170 388 H LYS 54 H LYS 54 -10.925 -1.361 0.382 389 HA LYS 54 HA LYS 54 -11.890 -3.510 1.980 390 1HB LYS 54 1HB LYS 54 -13.143 -0.981 0.913 391 2HB LYS 54 2HB LYS 54 -14.045 -2.113 1.940 392 1HG LYS 54 1HG LYS 54 -12.661 -1.790 3.811 393 2HG LYS 54 2HG LYS 54 -11.301 -1.239 2.833 394 1HD LYS 54 1HD LYS 54 -12.119 0.640 3.988 395 2HD LYS 54 2HD LYS 54 -12.460 0.821 2.259 396 1HE LYS 54 1HE LYS 54 -14.832 0.178 2.639 397 2HE LYS 54 2HE LYS 54 -14.499 -0.063 4.364 398 1HZ LYS 54 1HZ LYS 54 -15.476 2.081 3.936 399 2HZ LYS 54 2HZ LYS 54 -13.947 2.272 4.515 400 3HZ LYS 54 3HZ LYS 54 -14.253 2.492 2.916 401 H SER 55 H SER 55 -13.049 -2.309 -1.201 402 HA SER 55 HA SER 55 -14.369 -4.943 -1.695 403 1HB SER 55 1HB SER 55 -15.957 -3.185 -0.718 404 2HB SER 55 2HB SER 55 -15.742 -2.287 -2.233 405 HG SER 55 HG SER 55 -16.692 -4.961 -1.929 406 H ASN 56 H ASN 56 -12.323 -5.120 -2.866 407 HA ASN 56 HA ASN 56 -12.856 -4.700 -5.658 408 1HB ASN 56 1HB ASN 56 -10.731 -3.521 -6.218 409 2HB ASN 56 2HB ASN 56 -11.964 -2.529 -5.445 410 1HD2 ASN 56 1HD2 ASN 56 -9.860 -1.177 -5.283 411 2HD2 ASN 56 2HD2 ASN 56 -8.958 -1.377 -3.792 412 H ASN 57 H ASN 57 -9.977 -5.282 -3.576 413 HA ASN 57 HA ASN 57 -9.066 -7.451 -5.265 414 1HB ASN 57 1HB ASN 57 -7.518 -5.952 -4.077 415 2HB ASN 57 2HB ASN 57 -8.182 -6.470 -2.520 416 1HD2 ASN 57 1HD2 ASN 57 -6.612 -7.738 -5.514 417 2HD2 ASN 57 2HD2 ASN 57 -5.693 -9.011 -4.675 418 H GLY 58 H GLY 58 -10.541 -7.196 -2.017 419 1HA GLY 58 1HA GLY 58 -12.058 -8.719 -1.051 420 2HA GLY 58 2HA GLY 58 -11.664 -9.909 -2.278 421 HA PRO 59 HA PRO 59 -8.058 -10.254 0.969 422 1HB PRO 59 1HB PRO 59 -8.351 -8.943 3.361 423 2HB PRO 59 2HB PRO 59 -7.585 -8.192 1.928 424 1HG PRO 59 1HG PRO 59 -10.470 -7.915 2.831 425 2HG PRO 59 2HG PRO 59 -9.332 -6.601 2.407 426 1HD PRO 59 1HD PRO 59 -11.117 -7.529 0.617 427 2HD PRO 59 2HD PRO 59 -9.453 -7.143 0.090 428 H THR 60 H THR 60 -8.130 -12.127 2.094 429 HA THR 60 HA THR 60 -10.766 -13.121 3.019 430 HB THR 60 HB THR 60 -9.484 -15.310 2.637 431 HG1 THR 60 HG1 THR 60 -7.624 -14.743 1.100 432 1HG2 THR 60 1HG2 THR 60 -9.694 -13.437 0.229 433 2HG2 THR 60 2HG2 THR 60 -9.681 -15.210 0.190 434 3HG2 THR 60 3HG2 THR 60 -11.041 -14.351 0.935 435 H LYS 61 H LYS 61 -7.356 -13.672 3.715 436 HA LYS 61 HA LYS 61 -7.600 -13.198 6.598 437 1HB LYS 61 1HB LYS 61 -6.985 -15.471 7.276 438 2HB LYS 61 2HB LYS 61 -8.595 -15.354 6.582 439 1HG LYS 61 1HG LYS 61 -8.132 -16.980 5.131 440 2HG LYS 61 2HG LYS 61 -6.858 -15.998 4.397 441 1HD LYS 61 1HD LYS 61 -5.269 -16.792 6.167 442 2HD LYS 61 2HD LYS 61 -6.549 -17.842 6.810 443 1HE LYS 61 1HE LYS 61 -6.663 -19.052 4.646 444 2HE LYS 61 2HE LYS 61 -5.460 -17.952 3.948 445 1HZ LYS 61 1HZ LYS 61 -3.864 -18.768 5.526 446 2HZ LYS 61 2HZ LYS 61 -4.968 -19.793 6.194 447 3HZ LYS 61 3HZ LYS 61 -4.475 -20.010 4.640 448 H CYS 62 H CYS 62 -6.049 -11.703 6.193 449 HA CYS 62 HA CYS 62 -4.122 -10.753 5.809 450 1HB CYS 62 1HB CYS 62 -2.804 -13.396 6.492 451 2HB CYS 62 2HB CYS 62 -2.050 -11.795 6.569 452 H GLY 63 H GLY 63 -1.740 -12.529 4.699 453 1HA GLY 63 1HA GLY 63 -1.100 -13.583 2.767 454 2HA GLY 63 2HA GLY 63 -2.775 -13.568 2.208 455 H GLY 64 H GLY 64 -3.437 -11.014 1.975 456 1HA GLY 64 1HA GLY 64 -2.957 -10.268 -0.492 457 2HA GLY 64 2HA GLY 64 -3.168 -9.042 0.766 458 H CYS 65 H CYS 65 -0.950 -8.789 2.066 459 HA CYS 65 HA CYS 65 0.836 -7.630 -0.005 460 1HB CYS 65 1HB CYS 65 0.417 -6.920 2.875 461 2HB CYS 65 2HB CYS 65 1.222 -5.921 1.651 462 H HIS 66 H HIS 66 0.958 -9.415 3.083 463 HA HIS 66 HA HIS 66 3.872 -9.698 3.048 464 1HB HIS 66 1HB HIS 66 1.759 -11.171 4.661 465 2HB HIS 66 2HB HIS 66 3.494 -11.226 4.923 466 HD1 HIS 66 HND HIS 66 4.543 -8.496 5.260 467 HD2 HIS 66 HD HIS 66 0.478 -9.332 6.077 468 HE1 HIS 66 HE HIS 66 3.613 -6.600 6.720 469 H ILE 67 H ILE 67 4.612 -10.857 1.292 470 HA ILE 67 HA ILE 67 3.206 -13.126 0.172 471 HB ILE 67 HB ILE 67 6.102 -12.281 -0.192 472 1HG1 ILE 67 1HG1 ILE 67 4.734 -10.370 -0.735 473 2HG1 ILE 67 2HG1 ILE 67 5.328 -11.105 -2.215 474 1HG2 ILE 67 1HG2 ILE 67 5.835 -13.403 -2.419 475 2HG2 ILE 67 2HG2 ILE 67 5.749 -14.527 -1.067 476 3HG2 ILE 67 3HG2 ILE 67 4.262 -14.032 -1.884 477 1HD1 ILE 67 1HD1 ILE 67 3.084 -12.202 -2.541 478 2HD1 ILE 67 2HD1 ILE 67 2.501 -11.358 -1.086 479 3HD1 ILE 67 3HD1 ILE 67 3.008 -10.439 -2.503 480 H LYS 68 H LYS 68 2.816 -14.100 2.277 481 HA LYS 68 HA LYS 68 3.097 -15.505 3.974 482 1HB LYS 68 1HB LYS 68 3.095 -17.004 2.024 483 2HB LYS 68 2HB LYS 68 4.842 -16.892 1.934 484 1HG LYS 68 1HG LYS 68 4.641 -17.801 4.518 485 2HG LYS 68 2HG LYS 68 3.034 -18.245 3.955 486 1HD LYS 68 1HD LYS 68 4.191 -20.158 3.372 487 2HD LYS 68 2HD LYS 68 4.325 -19.220 1.876 488 1HE LYS 68 1HE LYS 68 6.411 -19.641 4.083 489 2HE LYS 68 2HE LYS 68 6.523 -20.162 2.397 490 1HZ LYS 68 1HZ LYS 68 6.567 -17.355 3.355 491 2HZ LYS 68 2HZ LYS 68 7.871 -18.201 2.860 492 3HZ LYS 68 3HZ LYS 68 6.682 -17.798 1.796 493 HHA HEC 69 HCM HEC 69 8.517 7.611 -2.218 494 HHB HEC 69 HDM HEC 69 6.363 11.162 -7.000 495 HHC HEC 69 HAM HEC 69 1.232 7.327 -7.421 496 HHD HEC 69 HBM HEC 69 2.774 4.901 -1.727 497 1HMA HEC 69 HM81 HEC 69 8.678 11.077 -7.124 498 2HMA HEC 69 HM82 HEC 69 8.611 12.200 -5.741 499 3HMA HEC 69 HM83 HEC 69 9.961 11.064 -5.918 500 1HAA HEC 69 HP71 HEC 69 10.211 8.661 -2.990 501 2HAA HEC 69 HP72 HEC 69 10.721 9.318 -4.522 502 1HBA HEC 69 HP73 HEC 69 10.328 11.604 -3.731 503 2HBA HEC 69 HP74 HEC 69 9.631 10.988 -2.242 504 1HMB HEC 69 HM11 HEC 69 4.670 11.004 -9.879 505 2HMB HEC 69 HM12 HEC 69 3.458 11.988 -9.019 506 3HMB HEC 69 HM13 HEC 69 5.124 12.017 -8.498 507 HAB HEC 69 HT2A HEC 69 1.053 8.792 -8.926 508 1HBB HEC 69 HT21 HEC 69 2.618 9.150 -10.857 509 2HBB HEC 69 HT22 HEC 69 0.998 9.843 -10.984 510 3HBB HEC 69 HT23 HEC 69 2.366 10.896 -10.633 511 1HMC HEC 69 HM31 HEC 69 -1.058 5.162 -5.402 512 2HMC HEC 69 HM32 HEC 69 -0.716 6.674 -6.239 513 3HMC HEC 69 HM33 HEC 69 -0.073 5.139 -6.873 514 HAC HEC 69 HT4A HEC 69 0.732 4.631 -1.981 515 1HBC HEC 69 HT41 HEC 69 -0.847 3.326 -4.178 516 2HBC HEC 69 HT42 HEC 69 0.756 2.721 -3.702 517 3HBC HEC 69 HT43 HEC 69 -0.577 2.782 -2.531 518 1HMD HEC 69 HM51 HEC 69 4.740 3.606 -0.293 519 2HMD HEC 69 HM52 HEC 69 5.472 4.679 0.916 520 3HMD HEC 69 HM53 HEC 69 3.810 4.959 0.382 521 1HAD HEC 69 HP61 HEC 69 8.481 6.614 -0.433 522 2HAD HEC 69 HP62 HEC 69 7.277 6.323 0.809 523 1HBD HEC 69 HP63 HEC 69 7.617 3.928 0.532 524 2HBD HEC 69 HP64 HEC 69 8.769 4.246 -0.788 525 HHA HEC 70 HCM HEC 70 -4.307 -4.816 -6.124 526 HHB HEC 70 HDM HEC 70 0.091 -4.243 -1.499 527 HHC HEC 70 HAM HEC 70 -1.986 1.654 -0.300 528 HHD HEC 70 HBM HEC 70 -6.404 1.064 -4.803 529 1HMA HEC 70 HM81 HEC 70 -0.138 -7.155 -3.902 530 2HMA HEC 70 HM82 HEC 70 0.727 -5.900 -3.014 531 3HMA HEC 70 HM83 HEC 70 -0.502 -6.891 -2.186 532 1HAA HEC 70 HP71 HEC 70 -3.429 -6.758 -5.845 533 2HAA HEC 70 HP72 HEC 70 -1.719 -7.146 -5.751 534 1HBA HEC 70 HP73 HEC 70 -2.120 -8.228 -3.538 535 2HBA HEC 70 HP74 HEC 70 -3.815 -7.760 -3.640 536 1HMB HEC 70 HM11 HEC 70 1.705 -3.131 -0.185 537 2HMB HEC 70 HM12 HEC 70 1.467 -2.064 1.210 538 3HMB HEC 70 HM13 HEC 70 0.386 -3.436 0.960 539 HAB HEC 70 HT2A HEC 70 -0.391 1.352 0.915 540 1HBB HEC 70 HT21 HEC 70 1.768 1.026 -0.317 541 2HBB HEC 70 HT22 HEC 70 1.873 1.622 1.335 542 3HBB HEC 70 HT23 HEC 70 2.270 -0.061 0.987 543 1HMC HEC 70 HM31 HEC 70 -2.727 3.807 -1.043 544 2HMC HEC 70 HM32 HEC 70 -4.350 4.409 -1.381 545 3HMC HEC 70 HM33 HEC 70 -4.089 3.349 0.012 546 HAC HEC 70 HT4A HEC 70 -7.184 2.303 -3.223 547 1HBC HEC 70 HT41 HEC 70 -6.418 4.002 -4.615 548 2HBC HEC 70 HT42 HEC 70 -7.314 4.792 -3.319 549 3HBC HEC 70 HT43 HEC 70 -5.540 4.830 -3.289 550 1HMD HEC 70 HM51 HEC 70 -7.784 0.203 -6.195 551 2HMD HEC 70 HM52 HEC 70 -7.159 -0.327 -7.771 552 3HMD HEC 70 HM53 HEC 70 -8.212 -1.396 -6.838 553 1HAD HEC 70 HP61 HEC 70 -6.642 -2.842 -8.349 554 2HAD HEC 70 HP62 HEC 70 -5.394 -4.002 -7.938 555 1HBD HEC 70 HP63 HEC 70 -7.290 -4.442 -5.948 556 2HBD HEC 70 HP64 HEC 70 -8.292 -4.028 -7.343 557 HHA HEC 71 HCM HEC 71 4.031 -4.152 8.917 558 HHB HEC 71 HDM HEC 71 0.928 -9.167 11.298 559 HHC HEC 71 HAM HEC 71 -2.954 -9.092 6.243 560 HHD HEC 71 HBM HEC 71 0.190 -4.192 3.838 561 1HMA HEC 71 HM81 HEC 71 3.970 -7.551 12.895 562 2HMA HEC 71 HM82 HEC 71 2.244 -7.319 13.216 563 3HMA HEC 71 HM83 HEC 71 2.818 -8.841 12.511 564 1HAA HEC 71 HP71 HEC 71 5.237 -4.833 10.559 565 2HAA HEC 71 HP72 HEC 71 4.933 -5.599 12.106 566 1HBA HEC 71 HP73 HEC 71 5.579 -7.767 11.136 567 2HBA HEC 71 HP74 HEC 71 5.878 -6.981 9.574 568 1HMB HEC 71 HM11 HEC 71 -1.391 -10.477 11.747 569 2HMB HEC 71 HM12 HEC 71 -1.745 -11.778 10.583 570 3HMB HEC 71 HM13 HEC 71 -0.071 -11.344 10.924 571 HAB HEC 71 HT2A HEC 71 -4.035 -9.916 7.908 572 1HBB HEC 71 HT21 HEC 71 -3.787 -10.612 10.825 573 2HBB HEC 71 HT22 HEC 71 -4.188 -9.011 10.163 574 3HBB HEC 71 HT23 HEC 71 -5.255 -10.398 9.858 575 1HMC HEC 71 HM31 HEC 71 -3.167 -9.061 3.941 576 2HMC HEC 71 HM32 HEC 71 -4.373 -7.847 4.420 577 3HMC HEC 71 HM33 HEC 71 -3.548 -7.745 2.843 578 HAC HEC 71 HT4A HEC 71 -1.660 -4.285 2.873 579 1HBC HEC 71 HT41 HEC 71 -3.651 -4.158 1.927 580 2HBC HEC 71 HT42 HEC 71 -3.813 -5.891 1.658 581 3HBC HEC 71 HT43 HEC 71 -4.118 -5.219 3.267 582 1HMD HEC 71 HM51 HEC 71 1.108 -2.008 4.127 583 2HMD HEC 71 HM52 HEC 71 2.835 -1.664 4.267 584 3HMD HEC 71 HM53 HEC 71 2.240 -3.067 3.332 585 1HAD HEC 71 HP61 HEC 71 4.539 -2.283 5.531 586 2HAD HEC 71 HP62 HEC 71 3.842 -1.374 6.850 587 1HBD HEC 71 HP63 HEC 71 5.229 -2.532 8.417 588 2HBD HEC 71 HP64 HEC 71 5.423 -3.908 7.284 Start of MODEL 29 1 1H ALA 1 1H ALA 1 7.875 5.136 -6.917 2 2H ALA 1 2H ALA 1 8.801 6.456 -7.266 3 3H ALA 1 3H ALA 1 8.099 5.588 -8.483 4 HA ALA 1 HA ALA 1 10.386 5.065 -8.437 5 1HB ALA 1 1HB ALA 1 10.863 5.604 -6.100 6 2HB ALA 1 2HB ALA 1 9.874 4.234 -5.548 7 3HB ALA 1 3HB ALA 1 11.361 3.943 -6.471 8 H ASP 2 H ASP 2 9.683 3.738 -10.023 9 HA ASP 2 HA ASP 2 7.549 2.270 -10.075 10 1HB ASP 2 1HB ASP 2 10.040 1.994 -11.788 11 2HB ASP 2 2HB ASP 2 8.426 1.459 -12.254 12 H VAL 3 H VAL 3 7.784 1.083 -8.055 13 HA VAL 3 HA VAL 3 7.117 -0.880 -7.248 14 HB VAL 3 HB VAL 3 8.526 -2.392 -9.474 15 1HG1 VAL 3 1HG1 VAL 3 6.637 -3.326 -7.273 16 2HG1 VAL 3 2HG1 VAL 3 7.202 -4.304 -8.639 17 3HG1 VAL 3 3HG1 VAL 3 8.359 -3.741 -7.428 18 1HG2 VAL 3 1HG2 VAL 3 6.183 -2.830 -10.233 19 2HG2 VAL 3 2HG2 VAL 3 5.579 -1.719 -8.988 20 3HG2 VAL 3 3HG2 VAL 3 6.584 -1.114 -10.323 21 H VAL 4 H VAL 4 8.014 -1.743 -5.405 22 HA VAL 4 HA VAL 4 10.831 -2.239 -5.161 23 HB VAL 4 HB VAL 4 10.725 0.278 -5.004 24 1HG1 VAL 4 1HG1 VAL 4 9.736 1.316 -2.984 25 2HG1 VAL 4 2HG1 VAL 4 8.505 0.568 -4.008 26 3HG1 VAL 4 3HG1 VAL 4 9.039 -0.243 -2.507 27 1HG2 VAL 4 1HG2 VAL 4 12.424 -1.142 -3.706 28 2HG2 VAL 4 2HG2 VAL 4 12.165 0.532 -3.183 29 3HG2 VAL 4 3HG2 VAL 4 11.443 -0.784 -2.259 30 H THR 5 H THR 5 11.125 -2.698 -2.576 31 HA THR 5 HA THR 5 8.651 -2.972 -1.178 32 HB THR 5 HB THR 5 8.772 -5.201 -2.413 33 HG1 THR 5 HG1 THR 5 8.236 -5.007 -0.183 34 1HG2 THR 5 1HG2 THR 5 11.519 -5.585 -1.154 35 2HG2 THR 5 2HG2 THR 5 10.604 -6.794 -2.071 36 3HG2 THR 5 3HG2 THR 5 11.196 -5.338 -2.885 37 H TYR 6 H TYR 6 8.817 -3.406 0.880 38 HA TYR 6 HA TYR 6 11.370 -2.546 2.159 39 1HB TYR 6 1HB TYR 6 8.451 -2.157 2.815 40 2HB TYR 6 2HB TYR 6 9.744 -1.946 3.999 41 HD1 TYR 6 HD1 TYR 6 9.599 -0.839 0.338 42 HD2 TYR 6 HD2 TYR 6 9.443 0.361 4.462 43 HE1 TYR 6 HE1 TYR 6 10.001 1.420 -0.349 44 HE2 TYR 6 HE2 TYR 6 9.667 2.729 3.718 45 HH TYR 6 HH TYR 6 10.562 3.564 0.338 46 H GLU 7 H GLU 7 12.305 -4.514 2.337 47 HA GLU 7 HA GLU 7 11.017 -6.882 3.107 48 1HB GLU 7 1HB GLU 7 13.133 -7.855 3.390 49 2HB GLU 7 2HB GLU 7 13.275 -6.688 2.089 50 1HG GLU 7 1HG GLU 7 15.186 -6.176 3.231 51 2HG GLU 7 2HG GLU 7 14.101 -5.070 4.083 52 H ASN 8 H ASN 8 10.850 -7.924 5.129 53 HA ASN 8 HA ASN 8 10.938 -6.498 7.618 54 1HB ASN 8 1HB ASN 8 8.487 -6.389 7.940 55 2HB ASN 8 2HB ASN 8 8.980 -5.341 6.614 56 1HD2 ASN 8 1HD2 ASN 8 8.332 -5.831 4.490 57 2HD2 ASN 8 2HD2 ASN 8 7.152 -7.092 4.142 58 H LYS 9 H LYS 9 9.303 -8.062 9.169 59 HA LYS 9 HA LYS 9 10.850 -10.491 8.797 60 1HB LYS 9 1HB LYS 9 10.007 -8.900 11.026 61 2HB LYS 9 2HB LYS 9 9.286 -10.486 11.239 62 1HG LYS 9 1HG LYS 9 12.259 -10.032 10.703 63 2HG LYS 9 2HG LYS 9 11.513 -10.103 12.295 64 1HD LYS 9 1HD LYS 9 12.230 -12.250 12.113 65 2HD LYS 9 2HD LYS 9 10.547 -12.409 11.584 66 1HE LYS 9 1HE LYS 9 11.292 -12.493 9.214 67 2HE LYS 9 2HE LYS 9 12.958 -12.153 9.706 68 1HZ LYS 9 1HZ LYS 9 11.363 -14.541 10.366 69 2HZ LYS 9 2HZ LYS 9 12.572 -14.457 9.257 70 3HZ LYS 9 3HZ LYS 9 12.919 -14.283 10.856 71 H LYS 10 H LYS 10 7.658 -9.391 8.161 72 HA LYS 10 HA LYS 10 6.385 -12.061 8.340 73 1HB LYS 10 1HB LYS 10 5.372 -9.736 6.700 74 2HB LYS 10 2HB LYS 10 4.472 -11.094 7.349 75 1HG LYS 10 1HG LYS 10 5.680 -8.783 8.923 76 2HG LYS 10 2HG LYS 10 4.032 -8.914 8.375 77 1HD LYS 10 1HD LYS 10 3.886 -9.515 10.603 78 2HD LYS 10 2HD LYS 10 3.710 -11.009 9.705 79 1HE LYS 10 1HE LYS 10 5.051 -11.238 11.783 80 2HE LYS 10 2HE LYS 10 5.961 -11.724 10.366 81 1HZ LYS 10 1HZ LYS 10 7.051 -9.477 10.452 82 2HZ LYS 10 2HZ LYS 10 6.260 -9.110 11.757 83 3HZ LYS 10 3HZ LYS 10 7.300 -10.368 11.813 84 H GLY 11 H GLY 11 7.150 -9.872 5.608 85 1HA GLY 11 1HA GLY 11 8.568 -11.554 3.949 86 2HA GLY 11 2HA GLY 11 6.926 -12.178 3.773 87 H ASN 12 H ASN 12 8.493 -9.035 3.935 88 HA ASN 12 HA ASN 12 8.920 -7.424 2.405 89 1HB ASN 12 1HB ASN 12 8.472 -9.562 0.369 90 2HB ASN 12 2HB ASN 12 9.551 -8.180 0.251 91 1HD2 ASN 12 1HD2 ASN 12 10.360 -8.824 3.264 92 2HD2 ASN 12 2HD2 ASN 12 11.535 -10.099 3.036 93 H VAL 13 H VAL 13 7.457 -5.880 2.376 94 HA VAL 13 HA VAL 13 4.748 -6.192 1.329 95 HB VAL 13 HB VAL 13 6.321 -3.679 2.049 96 1HG1 VAL 13 1HG1 VAL 13 3.310 -4.035 1.789 97 2HG1 VAL 13 2HG1 VAL 13 4.236 -2.529 2.045 98 3HG1 VAL 13 3HG1 VAL 13 4.296 -3.343 0.496 99 1HG2 VAL 13 1HG2 VAL 13 6.097 -4.998 4.024 100 2HG2 VAL 13 2HG2 VAL 13 4.877 -3.739 4.087 101 3HG2 VAL 13 3HG2 VAL 13 4.394 -5.397 3.667 102 H THR 14 H THR 14 4.819 -6.750 -0.942 103 HA THR 14 HA THR 14 6.399 -5.318 -2.826 104 HB THR 14 HB THR 14 3.632 -6.538 -3.213 105 HG1 THR 14 HG1 THR 14 6.254 -7.573 -3.125 106 1HG2 THR 14 1HG2 THR 14 4.320 -5.131 -5.132 107 2HG2 THR 14 2HG2 THR 14 5.890 -5.965 -5.198 108 3HG2 THR 14 3HG2 THR 14 4.386 -6.846 -5.548 109 H PHE 15 H PHE 15 6.461 -3.140 -2.986 110 HA PHE 15 HA PHE 15 4.011 -1.465 -2.741 111 1HB PHE 15 1HB PHE 15 6.914 -0.887 -3.384 112 2HB PHE 15 2HB PHE 15 5.626 0.279 -3.633 113 HD1 PHE 15 HD1 PHE 15 6.573 1.956 -2.283 114 HD2 PHE 15 HD2 PHE 15 5.749 -1.950 -0.628 115 HE1 PHE 15 HE1 PHE 15 7.329 2.710 -0.059 116 HE2 PHE 15 HE2 PHE 15 6.411 -1.139 1.611 117 HZ PHE 15 HZ PHE 15 7.326 1.129 1.834 118 H ASP 16 H ASP 16 2.769 -2.253 -4.468 119 HA ASP 16 HA ASP 16 3.648 -2.302 -7.216 120 1HB ASP 16 1HB ASP 16 1.031 -2.159 -5.694 121 2HB ASP 16 2HB ASP 16 1.044 -2.012 -7.447 122 H HIS 17 H HIS 17 5.015 -0.227 -6.726 123 HA HIS 17 HA HIS 17 3.724 2.239 -6.298 124 1HB HIS 17 1HB HIS 17 6.353 1.362 -6.386 125 2HB HIS 17 2HB HIS 17 6.295 2.437 -7.782 126 HD1 HIS 17 HND HIS 17 7.875 2.878 -4.971 127 HD2 HIS 17 HD HIS 17 4.302 4.653 -6.284 128 HE1 HIS 17 HE HIS 17 7.561 5.028 -3.600 129 H LYS 18 H LYS 18 5.394 1.347 -9.349 130 HA LYS 18 HA LYS 18 4.249 3.285 -11.038 131 1HB LYS 18 1HB LYS 18 6.143 2.148 -11.797 132 2HB LYS 18 2HB LYS 18 5.455 0.539 -11.507 133 1HG LYS 18 1HG LYS 18 3.965 0.756 -13.383 134 2HG LYS 18 2HG LYS 18 4.366 2.481 -13.554 135 1HD LYS 18 1HD LYS 18 6.601 1.980 -14.296 136 2HD LYS 18 2HD LYS 18 6.490 0.303 -13.760 137 1HE LYS 18 1HE LYS 18 6.332 0.505 -16.232 138 2HE LYS 18 2HE LYS 18 4.906 -0.259 -15.508 139 1HZ LYS 18 1HZ LYS 18 3.725 1.761 -15.691 140 2HZ LYS 18 2HZ LYS 18 5.020 2.578 -16.301 141 3HZ LYS 18 3HZ LYS 18 4.287 1.361 -17.154 142 H ALA 19 H ALA 19 3.319 -0.090 -10.499 143 HA ALA 19 HA ALA 19 1.008 -0.392 -11.964 144 1HB ALA 19 1HB ALA 19 1.835 -1.274 -9.228 145 2HB ALA 19 2HB ALA 19 0.344 -1.904 -9.983 146 3HB ALA 19 3HB ALA 19 1.936 -2.208 -10.729 147 H HIS 20 H HIS 20 0.927 0.700 -8.461 148 HA HIS 20 HA HIS 20 -1.870 1.348 -8.635 149 1HB HIS 20 1HB HIS 20 0.253 2.103 -6.603 150 2HB HIS 20 2HB HIS 20 -1.419 2.625 -6.513 151 HD1 HIS 20 HND HIS 20 -0.657 -0.930 -7.613 152 HD2 HIS 20 HD HIS 20 -2.117 1.221 -4.320 153 HE1 HIS 20 HE HIS 20 -1.630 -2.627 -6.004 154 H ALA 21 H ALA 21 1.121 3.123 -9.337 155 HA ALA 21 HA ALA 21 -0.109 5.716 -9.470 156 1HB ALA 21 1HB ALA 21 2.306 4.760 -11.046 157 2HB ALA 21 2HB ALA 21 1.809 6.427 -10.731 158 3HB ALA 21 3HB ALA 21 2.327 5.381 -9.390 159 H GLU 22 H GLU 22 0.386 3.261 -12.071 160 HA GLU 22 HA GLU 22 -0.962 4.958 -14.013 161 1HB GLU 22 1HB GLU 22 -0.697 3.142 -15.590 162 2HB GLU 22 2HB GLU 22 0.800 3.561 -14.750 163 1HG GLU 22 1HG GLU 22 0.361 1.527 -13.247 164 2HG GLU 22 2HG GLU 22 -0.916 1.075 -14.383 165 H LYS 23 H LYS 23 -1.918 2.036 -12.167 166 HA LYS 23 HA LYS 23 -4.534 1.751 -13.143 167 1HB LYS 23 1HB LYS 23 -3.349 1.325 -10.379 168 2HB LYS 23 2HB LYS 23 -4.914 0.699 -10.871 169 1HG LYS 23 1HG LYS 23 -2.343 -0.026 -12.394 170 2HG LYS 23 2HG LYS 23 -2.886 -0.861 -10.925 171 1HD LYS 23 1HD LYS 23 -5.103 -1.185 -12.107 172 2HD LYS 23 2HD LYS 23 -4.317 -0.607 -13.596 173 1HE LYS 23 1HE LYS 23 -2.956 -2.562 -13.767 174 2HE LYS 23 2HE LYS 23 -2.945 -2.793 -12.017 175 1HZ LYS 23 1HZ LYS 23 -4.995 -3.768 -13.823 176 2HZ LYS 23 2HZ LYS 23 -4.286 -4.399 -12.423 177 3HZ LYS 23 3HZ LYS 23 -5.374 -3.308 -12.257 178 H LEU 24 H LEU 24 -3.360 3.743 -10.362 179 HA LEU 24 HA LEU 24 -6.126 4.721 -9.937 180 1HB LEU 24 1HB LEU 24 -3.733 5.201 -8.164 181 2HB LEU 24 2HB LEU 24 -5.444 5.315 -7.776 182 HG LEU 24 HG LEU 24 -3.994 2.690 -8.395 183 1HD1 LEU 24 1HD1 LEU 24 -4.087 2.327 -5.977 184 2HD1 LEU 24 2HD1 LEU 24 -3.207 3.833 -6.332 185 3HD1 LEU 24 3HD1 LEU 24 -4.863 3.912 -5.765 186 1HD2 LEU 24 1HD2 LEU 24 -6.785 3.253 -7.325 187 2HD2 LEU 24 2HD2 LEU 24 -6.382 2.542 -8.906 188 3HD2 LEU 24 3HD2 LEU 24 -6.003 1.658 -7.417 189 H GLY 25 H GLY 25 -2.766 6.035 -10.398 190 1HA GLY 25 1HA GLY 25 -2.931 8.127 -11.846 191 2HA GLY 25 2HA GLY 25 -3.825 8.815 -10.484 192 H CYS 26 H CYS 26 -2.834 8.668 -8.416 193 HA CYS 26 HA CYS 26 -0.226 8.277 -7.580 194 1HB CYS 26 1HB CYS 26 0.147 10.181 -9.498 195 2HB CYS 26 2HB CYS 26 -0.461 11.219 -8.237 196 H ASP 27 H ASP 27 -2.827 10.555 -7.847 197 HA ASP 27 HA ASP 27 -2.903 12.102 -5.613 198 1HB ASP 27 1HB ASP 27 -5.393 10.868 -6.875 199 2HB ASP 27 2HB ASP 27 -5.182 12.486 -6.207 200 H ALA 28 H ALA 28 -4.197 8.960 -6.209 201 HA ALA 28 HA ALA 28 -5.701 8.219 -4.110 202 1HB ALA 28 1HB ALA 28 -4.906 5.914 -4.606 203 2HB ALA 28 2HB ALA 28 -5.245 6.858 -6.075 204 3HB ALA 28 3HB ALA 28 -3.564 6.595 -5.555 205 H CYS 29 H CYS 29 -2.136 8.374 -4.093 206 HA CYS 29 HA CYS 29 -2.138 7.678 -1.160 207 1HB CYS 29 1HB CYS 29 0.047 7.240 -3.183 208 2HB CYS 29 2HB CYS 29 0.075 6.827 -1.457 209 H HIS 30 H HIS 30 -0.735 9.747 -3.750 210 HA HIS 30 HA HIS 30 0.478 11.480 -1.610 211 1HB HIS 30 1HB HIS 30 1.439 10.956 -4.431 212 2HB HIS 30 2HB HIS 30 2.151 12.067 -3.278 213 HD1 HIS 30 HND HIS 30 3.604 10.905 -1.285 214 HD2 HIS 30 HD HIS 30 2.354 8.607 -4.520 215 HE1 HIS 30 HE HIS 30 5.270 8.913 -1.520 216 H GLU 31 H GLU 31 -0.710 13.303 -1.503 217 HA GLU 31 HA GLU 31 -2.096 14.392 -3.867 218 1HB GLU 31 1HB GLU 31 -1.836 15.488 -1.021 219 2HB GLU 31 2HB GLU 31 -2.891 16.111 -2.322 220 1HG GLU 31 1HG GLU 31 -4.046 13.939 -2.379 221 2HG GLU 31 2HG GLU 31 -3.077 13.409 -0.985 222 H GLY 32 H GLY 32 -1.075 16.963 -2.156 223 1HA GLY 32 1HA GLY 32 0.473 18.067 -4.271 224 2HA GLY 32 2HA GLY 32 0.236 18.758 -2.663 225 H THR 33 H THR 33 2.109 16.363 -4.441 226 HA THR 33 HA THR 33 4.352 16.431 -4.799 227 HB THR 33 HB THR 33 4.812 17.962 -2.225 228 HG1 THR 33 HG1 THR 33 4.725 19.733 -3.533 229 1HG2 THR 33 1HG2 THR 33 6.822 16.805 -3.057 230 2HG2 THR 33 2HG2 THR 33 6.561 17.502 -4.674 231 3HG2 THR 33 3HG2 THR 33 6.936 18.556 -3.295 232 HA PRO 34 HA PRO 34 4.486 12.717 -2.154 233 1HB PRO 34 1HB PRO 34 5.944 11.088 -3.710 234 2HB PRO 34 2HB PRO 34 4.265 11.507 -4.136 235 1HG PRO 34 1HG PRO 34 6.750 12.763 -5.229 236 2HG PRO 34 2HG PRO 34 5.309 12.151 -6.093 237 1HD PRO 34 1HD PRO 34 5.644 14.791 -5.477 238 2HD PRO 34 2HD PRO 34 4.019 14.032 -5.485 239 H ALA 35 H ALA 35 5.810 12.801 -0.396 240 HA ALA 35 HA ALA 35 8.756 12.779 -0.769 241 1HB ALA 35 1HB ALA 35 8.116 15.121 -0.436 242 2HB ALA 35 2HB ALA 35 7.221 14.691 1.038 243 3HB ALA 35 3HB ALA 35 8.992 14.493 0.981 244 H LYS 36 H LYS 36 7.781 10.595 -0.515 245 HA LYS 36 HA LYS 36 7.096 8.754 0.387 246 1HB LYS 36 1HB LYS 36 8.254 7.937 2.332 247 2HB LYS 36 2HB LYS 36 9.338 8.645 1.171 248 1HG LYS 36 1HG LYS 36 9.843 10.495 2.502 249 2HG LYS 36 2HG LYS 36 8.408 10.312 3.536 250 1HD LYS 36 1HD LYS 36 10.570 8.194 3.351 251 2HD LYS 36 2HD LYS 36 10.649 9.513 4.537 252 1HE LYS 36 1HE LYS 36 8.828 8.767 5.756 253 2HE LYS 36 2HE LYS 36 8.014 8.060 4.403 254 1HZ LYS 36 1HZ LYS 36 9.714 6.340 4.300 255 2HZ LYS 36 2HZ LYS 36 10.143 6.699 5.878 256 3HZ LYS 36 3HZ LYS 36 8.606 6.195 5.376 257 H ILE 37 H ILE 37 5.993 7.531 2.233 258 HA ILE 37 HA ILE 37 3.804 9.403 3.163 259 HB ILE 37 HB ILE 37 3.625 6.413 2.916 260 1HG1 ILE 37 1HG1 ILE 37 3.353 8.641 0.915 261 2HG1 ILE 37 2HG1 ILE 37 4.207 7.093 0.817 262 1HG2 ILE 37 1HG2 ILE 37 1.941 7.548 4.378 263 2HG2 ILE 37 2HG2 ILE 37 1.513 8.615 3.025 264 3HG2 ILE 37 3HG2 ILE 37 1.205 6.867 2.935 265 1HD1 ILE 37 1HD1 ILE 37 1.947 5.955 0.689 266 2HD1 ILE 37 2HD1 ILE 37 1.182 7.564 0.707 267 3HD1 ILE 37 3HD1 ILE 37 2.236 7.116 -0.634 268 H ALA 38 H ALA 38 5.755 6.769 4.211 269 HA ALA 38 HA ALA 38 6.844 6.480 6.322 270 1HB ALA 38 1HB ALA 38 4.691 8.026 7.666 271 2HB ALA 38 2HB ALA 38 6.269 7.487 8.280 272 3HB ALA 38 3HB ALA 38 6.199 8.707 6.973 273 H ILE 39 H ILE 39 5.558 4.650 4.870 274 HA ILE 39 HA ILE 39 3.301 3.541 6.377 275 HB ILE 39 HB ILE 39 4.954 2.367 4.136 276 1HG1 ILE 39 1HG1 ILE 39 3.674 4.359 3.505 277 2HG1 ILE 39 2HG1 ILE 39 3.104 2.865 2.772 278 1HG2 ILE 39 1HG2 ILE 39 3.969 0.550 5.355 279 2HG2 ILE 39 2HG2 ILE 39 2.412 1.370 5.499 280 3HG2 ILE 39 3HG2 ILE 39 2.991 0.820 3.905 281 1HD1 ILE 39 1HD1 ILE 39 1.221 4.300 3.369 282 2HD1 ILE 39 2HD1 ILE 39 1.171 2.804 4.307 283 3HD1 ILE 39 3HD1 ILE 39 1.715 4.321 5.064 284 H ASP 40 H ASP 40 3.549 2.723 8.231 285 HA ASP 40 HA ASP 40 5.504 0.527 8.615 286 1HB ASP 40 1HB ASP 40 5.789 0.944 10.874 287 2HB ASP 40 2HB ASP 40 5.810 2.575 10.237 288 H LYS 41 H LYS 41 4.420 -0.724 10.552 289 HA LYS 41 HA LYS 41 2.085 -2.033 9.731 290 1HB LYS 41 1HB LYS 41 1.995 -2.849 12.113 291 2HB LYS 41 2HB LYS 41 3.472 -3.102 11.208 292 1HG LYS 41 1HG LYS 41 4.395 -2.623 13.166 293 2HG LYS 41 2HG LYS 41 4.356 -1.003 12.500 294 1HD LYS 41 1HD LYS 41 2.122 -0.718 13.841 295 2HD LYS 41 2HD LYS 41 2.462 -2.290 14.532 296 1HE LYS 41 1HE LYS 41 3.135 -0.326 15.945 297 2HE LYS 41 2HE LYS 41 4.446 -1.475 15.642 298 1HZ LYS 41 1HZ LYS 41 4.987 0.965 15.368 299 2HZ LYS 41 2HZ LYS 41 5.414 -0.005 14.117 300 3HZ LYS 41 3HZ LYS 41 4.118 0.935 13.960 301 H LYS 42 H LYS 42 2.437 0.621 12.081 302 HA LYS 42 HA LYS 42 -0.238 0.737 12.907 303 1HB LYS 42 1HB LYS 42 1.964 1.909 13.764 304 2HB LYS 42 2HB LYS 42 1.466 3.240 12.708 305 1HG LYS 42 1HG LYS 42 -0.720 3.278 13.937 306 2HG LYS 42 2HG LYS 42 -0.112 1.943 14.949 307 1HD LYS 42 1HD LYS 42 1.859 3.396 15.583 308 2HD LYS 42 2HD LYS 42 1.113 4.733 14.689 309 1HE LYS 42 1HE LYS 42 -0.864 4.639 16.212 310 2HE LYS 42 2HE LYS 42 -0.139 3.272 17.077 311 1HZ LYS 42 1HZ LYS 42 0.994 5.989 16.931 312 2HZ LYS 42 2HZ LYS 42 0.231 5.327 18.227 313 3HZ LYS 42 3HZ LYS 42 1.670 4.717 17.726 314 H SER 43 H SER 43 1.399 2.844 10.420 315 HA SER 43 HA SER 43 -1.050 4.002 9.516 316 1HB SER 43 1HB SER 43 1.579 3.569 8.055 317 2HB SER 43 2HB SER 43 0.264 4.615 7.487 318 HG SER 43 HG SER 43 0.494 5.816 9.425 319 H ALA 44 H ALA 44 0.833 1.347 8.027 320 HA ALA 44 HA ALA 44 -0.504 0.619 5.823 321 1HB ALA 44 1HB ALA 44 0.173 -1.686 6.253 322 2HB ALA 44 2HB ALA 44 1.474 -0.529 6.600 323 3HB ALA 44 3HB ALA 44 0.572 -1.280 7.931 324 H HIS 45 H HIS 45 -1.327 -0.789 9.041 325 HA HIS 45 HA HIS 45 -3.741 -1.908 7.814 326 1HB HIS 45 1HB HIS 45 -3.062 -2.351 10.670 327 2HB HIS 45 2HB HIS 45 -3.902 -3.407 9.539 328 HD1 HIS 45 HND HIS 45 -0.566 -2.591 10.935 329 HD2 HIS 45 HD HIS 45 -2.085 -4.699 7.640 330 HE1 HIS 45 HE HIS 45 1.249 -4.201 10.209 331 H LYS 46 H LYS 46 -3.068 1.027 9.382 332 HA LYS 46 HA LYS 46 -5.673 1.245 10.774 333 1HB LYS 46 1HB LYS 46 -3.809 2.270 11.813 334 2HB LYS 46 2HB LYS 46 -3.405 3.182 10.353 335 1HG LYS 46 1HG LYS 46 -6.183 3.659 11.208 336 2HG LYS 46 2HG LYS 46 -5.030 3.985 12.521 337 1HD LYS 46 1HD LYS 46 -3.657 5.381 11.018 338 2HD LYS 46 2HD LYS 46 -4.772 5.063 9.695 339 1HE LYS 46 1HE LYS 46 -5.356 6.642 12.244 340 2HE LYS 46 2HE LYS 46 -5.151 7.288 10.610 341 1HZ LYS 46 1HZ LYS 46 -7.455 7.151 11.040 342 2HZ LYS 46 2HZ LYS 46 -7.158 5.931 9.985 343 3HZ LYS 46 3HZ LYS 46 -7.373 5.589 11.542 344 H ASP 47 H ASP 47 -4.061 3.213 8.230 345 HA ASP 47 HA ASP 47 -6.272 2.967 6.428 346 1HB ASP 47 1HB ASP 47 -5.998 5.608 7.918 347 2HB ASP 47 2HB ASP 47 -6.740 5.436 6.344 348 H ALA 48 H ALA 48 -4.210 2.123 5.629 349 HA ALA 48 HA ALA 48 -3.408 4.153 3.660 350 1HB ALA 48 1HB ALA 48 -1.468 4.263 5.049 351 2HB ALA 48 2HB ALA 48 -1.380 2.513 5.241 352 3HB ALA 48 3HB ALA 48 -1.050 3.253 3.651 353 H CYS 49 H CYS 49 -2.124 0.873 4.123 354 HA CYS 49 HA CYS 49 -3.127 0.133 1.511 355 1HB CYS 49 1HB CYS 49 -1.854 -1.671 3.524 356 2HB CYS 49 2HB CYS 49 -1.830 -1.824 1.773 357 H LYS 50 H LYS 50 -3.692 -1.078 4.900 358 HA LYS 50 HA LYS 50 -5.771 -2.827 3.816 359 1HB LYS 50 1HB LYS 50 -3.920 -3.098 5.833 360 2HB LYS 50 2HB LYS 50 -5.372 -2.767 6.757 361 1HG LYS 50 1HG LYS 50 -5.954 -4.769 4.686 362 2HG LYS 50 2HG LYS 50 -4.478 -5.195 5.538 363 1HD LYS 50 1HD LYS 50 -6.434 -6.210 6.527 364 2HD LYS 50 2HD LYS 50 -5.614 -5.151 7.687 365 1HE LYS 50 1HE LYS 50 -7.332 -3.506 7.581 366 2HE LYS 50 2HE LYS 50 -7.916 -4.088 6.003 367 1HZ LYS 50 1HZ LYS 50 -9.384 -4.644 7.783 368 2HZ LYS 50 2HZ LYS 50 -8.794 -5.983 7.030 369 3HZ LYS 50 3HZ LYS 50 -8.214 -5.543 8.524 370 H THR 51 H THR 51 -6.601 -0.436 3.246 371 HA THR 51 HA THR 51 -9.115 -0.422 4.625 372 HB THR 51 HB THR 51 -7.585 1.340 5.771 373 HG1 THR 51 HG1 THR 51 -9.322 2.604 6.194 374 1HG2 THR 51 1HG2 THR 51 -6.824 2.518 3.716 375 2HG2 THR 51 2HG2 THR 51 -8.510 2.968 3.348 376 3HG2 THR 51 3HG2 THR 51 -7.724 3.607 4.782 377 H CYS 52 H CYS 52 -7.069 1.034 1.991 378 HA CYS 52 HA CYS 52 -9.162 1.455 0.169 379 1HB CYS 52 1HB CYS 52 -6.247 1.002 0.035 380 2HB CYS 52 2HB CYS 52 -7.134 0.356 -1.346 381 H HIS 53 H HIS 53 -7.286 -1.586 0.630 382 HA HIS 53 HA HIS 53 -8.924 -2.891 -1.327 383 1HB HIS 53 1HB HIS 53 -7.172 -4.498 0.505 384 2HB HIS 53 2HB HIS 53 -7.559 -4.750 -1.179 385 HD1 HIS 53 HND HIS 53 -5.359 -2.486 1.073 386 HD2 HIS 53 HD HIS 53 -5.791 -3.534 -2.990 387 HE1 HIS 53 HE HIS 53 -3.328 -1.703 -0.123 388 H LYS 54 H LYS 54 -10.726 -1.980 0.438 389 HA LYS 54 HA LYS 54 -11.749 -4.172 2.161 390 1HB LYS 54 1HB LYS 54 -12.555 -1.329 1.548 391 2HB LYS 54 2HB LYS 54 -13.709 -2.471 2.255 392 1HG LYS 54 1HG LYS 54 -12.442 -2.773 4.215 393 2HG LYS 54 2HG LYS 54 -10.997 -1.995 3.530 394 1HD LYS 54 1HD LYS 54 -11.989 0.175 3.567 395 2HD LYS 54 2HD LYS 54 -13.612 -0.499 3.664 396 1HE LYS 54 1HE LYS 54 -13.253 0.503 5.741 397 2HE LYS 54 2HE LYS 54 -13.100 -1.231 6.036 398 1HZ LYS 54 1HZ LYS 54 -11.390 0.054 7.135 399 2HZ LYS 54 2HZ LYS 54 -10.687 -0.905 6.007 400 3HZ LYS 54 3HZ LYS 54 -10.838 0.710 5.745 401 H SER 55 H SER 55 -13.249 -2.110 -0.368 402 HA SER 55 HA SER 55 -14.952 -4.384 -1.173 403 1HB SER 55 1HB SER 55 -14.977 -1.474 -2.054 404 2HB SER 55 2HB SER 55 -16.212 -2.695 -2.398 405 HG SER 55 HG SER 55 -15.420 -2.057 0.253 406 H ASN 56 H ASN 56 -12.515 -5.182 -1.896 407 HA ASN 56 HA ASN 56 -12.850 -5.561 -4.667 408 1HB ASN 56 1HB ASN 56 -10.844 -4.651 -5.609 409 2HB ASN 56 2HB ASN 56 -11.718 -3.330 -4.850 410 1HD2 ASN 56 1HD2 ASN 56 -9.661 -2.153 -4.949 411 2HD2 ASN 56 2HD2 ASN 56 -8.430 -2.475 -3.743 412 H ASN 57 H ASN 57 -10.828 -6.930 -5.458 413 HA ASN 57 HA ASN 57 -9.533 -8.758 -5.199 414 1HB ASN 57 1HB ASN 57 -8.386 -6.955 -3.707 415 2HB ASN 57 2HB ASN 57 -8.955 -7.908 -2.329 416 1HD2 ASN 57 1HD2 ASN 57 -6.223 -7.335 -2.940 417 2HD2 ASN 57 2HD2 ASN 57 -5.419 -8.790 -3.456 418 H GLY 58 H GLY 58 -9.084 -10.598 -3.176 419 1HA GLY 58 1HA GLY 58 -11.773 -11.629 -2.424 420 2HA GLY 58 2HA GLY 58 -10.246 -12.498 -2.356 421 HA PRO 59 HA PRO 59 -10.076 -11.460 1.827 422 1HB PRO 59 1HB PRO 59 -7.429 -11.604 2.532 423 2HB PRO 59 2HB PRO 59 -8.266 -12.993 1.775 424 1HG PRO 59 1HG PRO 59 -6.575 -10.883 0.394 425 2HG PRO 59 2HG PRO 59 -6.412 -12.658 0.270 426 1HD PRO 59 1HD PRO 59 -7.804 -11.196 -1.564 427 2HD PRO 59 2HD PRO 59 -8.347 -12.826 -1.074 428 H THR 60 H THR 60 -9.505 -10.258 3.588 429 HA THR 60 HA THR 60 -8.852 -7.413 3.078 430 HB THR 60 HB THR 60 -11.430 -8.620 2.947 431 HG1 THR 60 HG1 THR 60 -10.686 -6.886 1.836 432 1HG2 THR 60 1HG2 THR 60 -11.430 -6.762 5.334 433 2HG2 THR 60 2HG2 THR 60 -12.795 -7.549 4.535 434 3HG2 THR 60 3HG2 THR 60 -11.623 -8.538 5.423 435 H LYS 61 H LYS 61 -7.977 -9.891 4.811 436 HA LYS 61 HA LYS 61 -7.551 -8.342 7.336 437 1HB LYS 61 1HB LYS 61 -7.908 -11.333 6.904 438 2HB LYS 61 2HB LYS 61 -7.129 -10.656 8.333 439 1HG LYS 61 1HG LYS 61 -9.988 -10.033 7.468 440 2HG LYS 61 2HG LYS 61 -9.505 -11.262 8.641 441 1HD LYS 61 1HD LYS 61 -8.277 -9.270 9.883 442 2HD LYS 61 2HD LYS 61 -9.273 -8.241 8.850 443 1HE LYS 61 1HE LYS 61 -10.425 -8.426 10.919 444 2HE LYS 61 2HE LYS 61 -11.335 -9.388 9.747 445 1HZ LYS 61 1HZ LYS 61 -10.298 -11.359 10.691 446 2HZ LYS 61 2HZ LYS 61 -9.429 -10.445 11.748 447 3HZ LYS 61 3HZ LYS 61 -11.064 -10.501 11.861 448 H CYS 62 H CYS 62 -6.182 -11.143 5.564 449 HA CYS 62 HA CYS 62 -3.521 -9.898 5.621 450 1HB CYS 62 1HB CYS 62 -4.437 -11.869 7.284 451 2HB CYS 62 2HB CYS 62 -3.585 -12.746 6.002 452 H GLY 63 H GLY 63 -2.016 -11.761 4.523 453 1HA GLY 63 1HA GLY 63 -1.519 -13.022 2.655 454 2HA GLY 63 2HA GLY 63 -3.204 -12.920 2.115 455 H GLY 64 H GLY 64 -3.726 -10.370 1.861 456 1HA GLY 64 1HA GLY 64 -3.293 -9.267 -0.422 457 2HA GLY 64 2HA GLY 64 -3.157 -8.276 1.044 458 H CYS 65 H CYS 65 -0.891 -8.457 2.078 459 HA CYS 65 HA CYS 65 0.879 -7.331 -0.038 460 1HB CYS 65 1HB CYS 65 0.595 -6.517 2.816 461 2HB CYS 65 2HB CYS 65 1.242 -5.551 1.481 462 H HIS 66 H HIS 66 0.879 -9.387 2.815 463 HA HIS 66 HA HIS 66 3.857 -9.511 2.862 464 1HB HIS 66 1HB HIS 66 1.767 -10.764 4.688 465 2HB HIS 66 2HB HIS 66 3.506 -10.885 4.873 466 HD1 HIS 66 HND HIS 66 4.653 -8.137 4.946 467 HD2 HIS 66 HD HIS 66 0.712 -8.890 6.213 468 HE1 HIS 66 HE HIS 66 3.936 -6.190 6.436 469 H ILE 67 H ILE 67 4.658 -10.998 1.412 470 HA ILE 67 HA ILE 67 2.866 -13.150 0.431 471 HB ILE 67 HB ILE 67 5.691 -12.397 -0.435 472 1HG1 ILE 67 1HG1 ILE 67 4.136 -11.726 -2.535 473 2HG1 ILE 67 2HG1 ILE 67 2.929 -11.475 -1.277 474 1HG2 ILE 67 1HG2 ILE 67 5.163 -13.756 -2.412 475 2HG2 ILE 67 2HG2 ILE 67 5.046 -14.764 -0.971 476 3HG2 ILE 67 3HG2 ILE 67 3.567 -14.157 -1.742 477 1HD1 ILE 67 1HD1 ILE 67 4.081 -9.412 -1.841 478 2HD1 ILE 67 2HD1 ILE 67 4.535 -9.831 -0.195 479 3HD1 ILE 67 3HD1 ILE 67 5.669 -10.143 -1.522 480 H LYS 68 H LYS 68 2.776 -13.912 2.785 481 HA LYS 68 HA LYS 68 4.421 -16.193 3.114 482 1HB LYS 68 1HB LYS 68 5.364 -13.671 4.290 483 2HB LYS 68 2HB LYS 68 4.922 -14.774 5.579 484 1HG LYS 68 1HG LYS 68 6.707 -15.618 3.263 485 2HG LYS 68 2HG LYS 68 7.342 -14.912 4.752 486 1HD LYS 68 1HD LYS 68 6.369 -16.658 6.117 487 2HD LYS 68 2HD LYS 68 5.519 -17.359 4.732 488 1HE LYS 68 1HE LYS 68 7.698 -17.849 3.625 489 2HE LYS 68 2HE LYS 68 8.562 -17.166 5.014 490 1HZ LYS 68 1HZ LYS 68 6.765 -19.501 5.095 491 2HZ LYS 68 2HZ LYS 68 8.411 -19.560 5.121 492 3HZ LYS 68 3HZ LYS 68 7.589 -18.884 6.378 493 HHA HEC 69 HCM HEC 69 8.301 6.960 -0.861 494 HHB HEC 69 HDM HEC 69 7.046 10.130 -6.221 495 HHC HEC 69 HAM HEC 69 1.703 6.668 -7.013 496 HHD HEC 69 HBM HEC 69 2.619 4.353 -1.074 497 1HMA HEC 69 HM81 HEC 69 8.825 11.375 -4.537 498 2HMA HEC 69 HM82 HEC 69 10.295 10.408 -4.353 499 3HMA HEC 69 HM83 HEC 69 9.349 10.267 -5.834 500 1HAA HEC 69 HP71 HEC 69 10.220 7.842 -1.578 501 2HAA HEC 69 HP72 HEC 69 10.887 8.573 -3.020 502 1HBA HEC 69 HP73 HEC 69 10.009 10.834 -2.106 503 2HBA HEC 69 HP74 HEC 69 9.750 9.952 -0.605 504 1HMB HEC 69 HM11 HEC 69 5.407 9.908 -9.395 505 2HMB HEC 69 HM12 HEC 69 4.554 11.113 -8.396 506 3HMB HEC 69 HM13 HEC 69 6.246 10.726 -8.089 507 HAB HEC 69 HT2A HEC 69 1.782 8.040 -8.594 508 1HBB HEC 69 HT21 HEC 69 3.197 10.250 -10.050 509 2HBB HEC 69 HT22 HEC 69 3.535 8.529 -10.376 510 3HBB HEC 69 HT23 HEC 69 1.906 9.178 -10.583 511 1HMC HEC 69 HM31 HEC 69 -0.461 6.207 -5.883 512 2HMC HEC 69 HM32 HEC 69 0.212 4.754 -6.663 513 3HMC HEC 69 HM33 HEC 69 -0.870 4.611 -5.272 514 HAC HEC 69 HT4A HEC 69 0.481 4.208 -1.617 515 1HBC HEC 69 HT41 HEC 69 -0.441 2.794 -4.141 516 2HBC HEC 69 HT42 HEC 69 0.511 2.113 -2.817 517 3HBC HEC 69 HT43 HEC 69 -1.190 2.577 -2.561 518 1HMD HEC 69 HM51 HEC 69 3.992 2.922 0.020 519 2HMD HEC 69 HM52 HEC 69 5.090 3.282 1.319 520 3HMD HEC 69 HM53 HEC 69 3.601 4.243 1.150 521 1HAD HEC 69 HP61 HEC 69 8.222 4.837 0.536 522 2HAD HEC 69 HP62 HEC 69 7.542 6.335 1.123 523 1HBD HEC 69 HP63 HEC 69 5.930 4.975 2.516 524 2HBD HEC 69 HP64 HEC 69 7.004 3.577 2.173 525 HHA HEC 70 HCM HEC 70 -3.806 -5.223 -6.055 526 HHB HEC 70 HDM HEC 70 0.626 -3.930 -1.577 527 HHC HEC 70 HAM HEC 70 -2.339 1.533 -0.268 528 HHD HEC 70 HBM HEC 70 -6.561 0.424 -4.863 529 1HMA HEC 70 HM81 HEC 70 0.481 -7.127 -3.650 530 2HMA HEC 70 HM82 HEC 70 1.404 -5.624 -3.458 531 3HMA HEC 70 HM83 HEC 70 0.525 -6.329 -2.072 532 1HAA HEC 70 HP71 HEC 70 -2.069 -6.503 -6.396 533 2HAA HEC 70 HP72 HEC 70 -0.461 -6.802 -5.788 534 1HBA HEC 70 HP73 HEC 70 -1.637 -8.862 -5.715 535 2HBA HEC 70 HP74 HEC 70 -1.451 -8.334 -4.041 536 1HMB HEC 70 HM11 HEC 70 1.791 -1.517 1.035 537 2HMB HEC 70 HM12 HEC 70 1.038 -3.097 0.765 538 3HMB HEC 70 HM13 HEC 70 2.166 -2.413 -0.442 539 HAB HEC 70 HT2A HEC 70 -0.856 1.348 1.102 540 1HBB HEC 70 HT21 HEC 70 1.229 1.819 -0.113 541 2HBB HEC 70 HT22 HEC 70 1.299 2.069 1.638 542 3HBB HEC 70 HT23 HEC 70 2.075 0.650 0.914 543 1HMC HEC 70 HM31 HEC 70 -3.202 3.588 -1.133 544 2HMC HEC 70 HM32 HEC 70 -4.879 4.023 -1.453 545 3HMC HEC 70 HM33 HEC 70 -4.493 3.025 -0.043 546 HAC HEC 70 HT4A HEC 70 -7.463 1.691 -3.332 547 1HBC HEC 70 HT41 HEC 70 -7.546 4.259 -3.548 548 2HBC HEC 70 HT42 HEC 70 -5.760 4.163 -3.547 549 3HBC HEC 70 HT43 HEC 70 -6.713 3.318 -4.799 550 1HMD HEC 70 HM51 HEC 70 -7.828 -0.614 -6.275 551 2HMD HEC 70 HM52 HEC 70 -6.918 -0.892 -7.773 552 3HMD HEC 70 HM53 HEC 70 -8.005 -2.145 -7.136 553 1HAD HEC 70 HP61 HEC 70 -5.756 -5.032 -7.405 554 2HAD HEC 70 HP62 HEC 70 -6.643 -3.688 -8.129 555 1HBD HEC 70 HP63 HEC 70 -4.301 -2.676 -8.629 556 2HBD HEC 70 HP64 HEC 70 -3.698 -4.314 -8.365 557 HHA HEC 71 HCM HEC 71 4.692 -3.717 8.725 558 HHB HEC 71 HDM HEC 71 1.548 -8.568 11.392 559 HHC HEC 71 HAM HEC 71 -2.571 -8.409 6.528 560 HHD HEC 71 HBM HEC 71 0.648 -3.719 3.824 561 1HMA HEC 71 HM81 HEC 71 4.526 -6.794 12.972 562 2HMA HEC 71 HM82 HEC 71 2.772 -6.954 13.106 563 3HMA HEC 71 HM83 HEC 71 3.752 -8.299 12.489 564 1HAA HEC 71 HP71 HEC 71 5.530 -4.042 10.715 565 2HAA HEC 71 HP72 HEC 71 5.661 -5.221 11.989 566 1HBA HEC 71 HP73 HEC 71 6.498 -5.794 9.116 567 2HBA HEC 71 HP74 HEC 71 7.589 -5.091 10.328 568 1HMB HEC 71 HM11 HEC 71 -0.586 -11.413 10.343 569 2HMB HEC 71 HM12 HEC 71 0.529 -10.487 11.319 570 3HMB HEC 71 HM13 HEC 71 -1.213 -10.336 11.625 571 HAB HEC 71 HT2A HEC 71 -3.475 -9.595 8.063 572 1HBB HEC 71 HT21 HEC 71 -2.753 -11.694 10.080 573 2HBB HEC 71 HT22 HEC 71 -3.469 -10.120 10.529 574 3HBB HEC 71 HT23 HEC 71 -4.322 -11.216 9.438 575 1HMC HEC 71 HM31 HEC 71 -3.859 -7.656 4.706 576 2HMC HEC 71 HM32 HEC 71 -3.154 -7.399 3.089 577 3HMC HEC 71 HM33 HEC 71 -2.522 -8.655 4.173 578 HAC HEC 71 HT4A HEC 71 -1.179 -3.869 2.862 579 1HBC HEC 71 HT41 HEC 71 -3.276 -3.858 1.813 580 2HBC HEC 71 HT42 HEC 71 -3.794 -5.345 2.610 581 3HBC HEC 71 HT43 HEC 71 -3.494 -3.880 3.574 582 1HMD HEC 71 HM51 HEC 71 3.675 -1.544 4.065 583 2HMD HEC 71 HM52 HEC 71 2.388 -2.492 3.330 584 3HMD HEC 71 HM53 HEC 71 1.966 -1.157 4.395 585 1HAD HEC 71 HP61 HEC 71 4.862 -1.331 5.859 586 2HAD HEC 71 HP62 HEC 71 4.773 -1.546 7.586 587 1HBD HEC 71 HP63 HEC 71 6.503 -2.982 7.600 588 2HBD HEC 71 HP64 HEC 71 5.853 -3.940 6.271 Start of MODEL 30 1 1H ALA 1 1H ALA 1 6.708 4.913 -6.846 2 2H ALA 1 2H ALA 1 6.915 6.514 -6.800 3 3H ALA 1 3H ALA 1 5.924 5.846 -7.931 4 HA ALA 1 HA ALA 1 7.966 6.396 -9.012 5 1HB ALA 1 1HB ALA 1 10.046 5.216 -8.348 6 2HB ALA 1 2HB ALA 1 9.450 6.318 -7.098 7 3HB ALA 1 3HB ALA 1 9.218 4.572 -6.913 8 H ASP 2 H ASP 2 8.941 3.131 -8.335 9 HA ASP 2 HA ASP 2 7.675 2.004 -10.703 10 1HB ASP 2 1HB ASP 2 9.839 0.776 -10.781 11 2HB ASP 2 2HB ASP 2 9.829 2.489 -11.212 12 H VAL 3 H VAL 3 9.539 0.734 -7.938 13 HA VAL 3 HA VAL 3 7.317 -0.773 -6.866 14 HB VAL 3 HB VAL 3 7.630 -2.205 -8.758 15 1HG1 VAL 3 1HG1 VAL 3 9.678 -3.426 -9.227 16 2HG1 VAL 3 2HG1 VAL 3 9.983 -1.688 -9.356 17 3HG1 VAL 3 3HG1 VAL 3 10.538 -2.588 -7.927 18 1HG2 VAL 3 1HG2 VAL 3 7.101 -3.195 -6.534 19 2HG2 VAL 3 2HG2 VAL 3 7.952 -4.310 -7.615 20 3HG2 VAL 3 3HG2 VAL 3 8.829 -3.524 -6.290 21 H VAL 4 H VAL 4 7.738 -1.099 -4.720 22 HA VAL 4 HA VAL 4 10.548 -1.255 -3.806 23 HB VAL 4 HB VAL 4 8.486 0.673 -2.711 24 1HG1 VAL 4 1HG1 VAL 4 11.204 -0.151 -1.546 25 2HG1 VAL 4 2HG1 VAL 4 10.281 1.268 -1.015 26 3HG1 VAL 4 3HG1 VAL 4 9.645 -0.342 -0.740 27 1HG2 VAL 4 1HG2 VAL 4 11.292 1.104 -3.745 28 2HG2 VAL 4 2HG2 VAL 4 9.794 1.549 -4.598 29 3HG2 VAL 4 3HG2 VAL 4 10.216 2.351 -3.072 30 H THR 5 H THR 5 10.631 -2.212 -1.662 31 HA THR 5 HA THR 5 8.119 -3.251 -0.746 32 HB THR 5 HB THR 5 9.031 -5.284 -1.674 33 HG1 THR 5 HG1 THR 5 10.267 -5.140 0.866 34 1HG2 THR 5 1HG2 THR 5 11.800 -4.377 -0.798 35 2HG2 THR 5 2HG2 THR 5 11.419 -5.981 -1.445 36 3HG2 THR 5 3HG2 THR 5 11.193 -4.556 -2.460 37 H TYR 6 H TYR 6 7.814 -3.220 1.319 38 HA TYR 6 HA TYR 6 9.867 -2.094 3.142 39 1HB TYR 6 1HB TYR 6 7.295 -3.281 4.100 40 2HB TYR 6 2HB TYR 6 8.285 -2.028 4.823 41 HD1 TYR 6 HD1 TYR 6 5.529 -2.814 2.689 42 HD2 TYR 6 HD2 TYR 6 8.317 0.322 3.588 43 HE1 TYR 6 HE1 TYR 6 4.092 -1.223 1.482 44 HE2 TYR 6 HE2 TYR 6 6.887 1.919 2.350 45 HH TYR 6 HH TYR 6 4.523 0.924 0.271 46 H GLU 7 H GLU 7 11.533 -3.626 3.183 47 HA GLU 7 HA GLU 7 11.007 -6.459 3.218 48 1HB GLU 7 1HB GLU 7 13.546 -5.027 3.787 49 2HB GLU 7 2HB GLU 7 13.319 -6.754 3.477 50 1HG GLU 7 1HG GLU 7 12.431 -6.221 1.197 51 2HG GLU 7 2HG GLU 7 12.719 -4.492 1.492 52 H ASN 8 H ASN 8 9.602 -6.448 4.903 53 HA ASN 8 HA ASN 8 10.322 -6.061 7.710 54 1HB ASN 8 1HB ASN 8 8.032 -6.868 8.098 55 2HB ASN 8 2HB ASN 8 8.105 -5.642 6.836 56 1HD2 ASN 8 1HD2 ASN 8 6.405 -6.195 5.483 57 2HD2 ASN 8 2HD2 ASN 8 6.497 -7.635 4.460 58 H LYS 9 H LYS 9 9.311 -8.237 9.102 59 HA LYS 9 HA LYS 9 11.349 -10.244 8.430 60 1HB LYS 9 1HB LYS 9 11.029 -9.082 10.771 61 2HB LYS 9 2HB LYS 9 9.677 -10.191 10.963 62 1HG LYS 9 1HG LYS 9 11.947 -11.737 10.025 63 2HG LYS 9 2HG LYS 9 12.550 -10.603 11.226 64 1HD LYS 9 1HD LYS 9 12.026 -12.563 12.406 65 2HD LYS 9 2HD LYS 9 10.735 -11.418 12.809 66 1HE LYS 9 1HE LYS 9 9.219 -12.528 11.190 67 2HE LYS 9 2HE LYS 9 10.536 -13.553 10.611 68 1HZ LYS 9 1HZ LYS 9 9.134 -14.733 12.126 69 2HZ LYS 9 2HZ LYS 9 10.640 -14.589 12.759 70 3HZ LYS 9 3HZ LYS 9 9.419 -13.651 13.334 71 H LYS 10 H LYS 10 7.873 -9.696 8.695 72 HA LYS 10 HA LYS 10 6.841 -12.299 8.555 73 1HB LYS 10 1HB LYS 10 5.844 -10.062 6.760 74 2HB LYS 10 2HB LYS 10 4.949 -11.479 7.287 75 1HG LYS 10 1HG LYS 10 5.777 -9.081 8.961 76 2HG LYS 10 2HG LYS 10 4.204 -9.426 8.341 77 1HD LYS 10 1HD LYS 10 4.099 -9.979 10.589 78 2HD LYS 10 2HD LYS 10 4.007 -11.480 9.677 79 1HE LYS 10 1HE LYS 10 5.766 -12.338 10.815 80 2HE LYS 10 2HE LYS 10 6.784 -10.939 10.403 81 1HZ LYS 10 1HZ LYS 10 4.983 -10.915 12.680 82 2HZ LYS 10 2HZ LYS 10 6.615 -11.168 12.722 83 3HZ LYS 10 3HZ LYS 10 6.052 -9.754 12.174 84 H GLY 11 H GLY 11 7.411 -10.414 5.571 85 1HA GLY 11 1HA GLY 11 9.270 -12.188 4.446 86 2HA GLY 11 2HA GLY 11 7.698 -12.757 3.866 87 H ASN 12 H ASN 12 8.774 -9.417 4.460 88 HA ASN 12 HA ASN 12 9.207 -7.638 3.159 89 1HB ASN 12 1HB ASN 12 9.521 -9.425 0.772 90 2HB ASN 12 2HB ASN 12 10.235 -7.850 1.055 91 1HD2 ASN 12 1HD2 ASN 12 11.002 -8.657 3.996 92 2HD2 ASN 12 2HD2 ASN 12 12.430 -9.605 3.684 93 H VAL 13 H VAL 13 7.482 -6.298 2.828 94 HA VAL 13 HA VAL 13 5.082 -7.307 1.357 95 HB VAL 13 HB VAL 13 5.613 -4.898 3.052 96 1HG1 VAL 13 1HG1 VAL 13 4.415 -3.910 1.087 97 2HG1 VAL 13 2HG1 VAL 13 3.317 -5.296 1.047 98 3HG1 VAL 13 3HG1 VAL 13 3.258 -4.144 2.393 99 1HG2 VAL 13 1HG2 VAL 13 3.194 -6.720 3.010 100 2HG2 VAL 13 2HG2 VAL 13 4.690 -7.176 3.810 101 3HG2 VAL 13 3HG2 VAL 13 3.822 -5.711 4.331 102 H THR 14 H THR 14 5.425 -7.383 -0.740 103 HA THR 14 HA THR 14 6.875 -5.378 -2.273 104 HB THR 14 HB THR 14 6.667 -7.653 -3.083 105 HG1 THR 14 HG1 THR 14 5.149 -6.129 -4.893 106 1HG2 THR 14 1HG2 THR 14 4.603 -8.579 -3.985 107 2HG2 THR 14 2HG2 THR 14 4.406 -8.288 -2.254 108 3HG2 THR 14 3HG2 THR 14 3.673 -7.180 -3.431 109 H PHE 15 H PHE 15 6.084 -3.442 -3.046 110 HA PHE 15 HA PHE 15 3.172 -3.286 -3.433 111 1HB PHE 15 1HB PHE 15 2.943 -1.060 -2.655 112 2HB PHE 15 2HB PHE 15 3.458 -2.121 -1.354 113 HD1 PHE 15 HD1 PHE 15 5.944 -2.164 -0.708 114 HD2 PHE 15 HD2 PHE 15 4.119 0.990 -3.020 115 HE1 PHE 15 HE1 PHE 15 7.589 -0.553 0.181 116 HE2 PHE 15 HE2 PHE 15 5.761 2.606 -2.108 117 HZ PHE 15 HZ PHE 15 7.441 1.830 -0.418 118 H ASP 16 H ASP 16 3.243 -3.510 -5.538 119 HA ASP 16 HA ASP 16 4.909 -2.338 -7.397 120 1HB ASP 16 1HB ASP 16 1.957 -3.038 -7.628 121 2HB ASP 16 2HB ASP 16 3.137 -2.881 -8.952 122 H HIS 17 H HIS 17 5.277 -0.381 -6.365 123 HA HIS 17 HA HIS 17 3.841 1.794 -5.816 124 1HB HIS 17 1HB HIS 17 6.561 1.209 -6.350 125 2HB HIS 17 2HB HIS 17 6.199 2.428 -7.538 126 HD1 HIS 17 HND HIS 17 8.100 2.805 -4.883 127 HD2 HIS 17 HD HIS 17 4.270 4.227 -5.832 128 HE1 HIS 17 HE HIS 17 7.875 5.099 -3.769 129 H LYS 18 H LYS 18 5.147 1.116 -9.045 130 HA LYS 18 HA LYS 18 3.921 3.300 -10.365 131 1HB LYS 18 1HB LYS 18 5.832 2.484 -11.240 132 2HB LYS 18 2HB LYS 18 5.336 0.771 -11.274 133 1HG LYS 18 1HG LYS 18 3.865 1.263 -13.143 134 2HG LYS 18 2HG LYS 18 4.133 3.008 -12.893 135 1HD LYS 18 1HD LYS 18 6.534 2.737 -13.400 136 2HD LYS 18 2HD LYS 18 6.318 0.982 -13.528 137 1HE LYS 18 1HE LYS 18 4.742 1.302 -15.457 138 2HE LYS 18 2HE LYS 18 4.955 3.054 -15.343 139 1HZ LYS 18 1HZ LYS 18 7.085 1.116 -15.972 140 2HZ LYS 18 2HZ LYS 18 6.313 2.086 -17.052 141 3HZ LYS 18 3HZ LYS 18 7.271 2.752 -15.891 142 H ALA 19 H ALA 19 3.127 -0.184 -10.392 143 HA ALA 19 HA ALA 19 0.806 -0.227 -11.884 144 1HB ALA 19 1HB ALA 19 1.145 -1.504 -9.184 145 2HB ALA 19 2HB ALA 19 0.011 -2.036 -10.435 146 3HB ALA 19 3HB ALA 19 1.769 -2.190 -10.715 147 H HIS 20 H HIS 20 0.896 0.564 -8.323 148 HA HIS 20 HA HIS 20 -1.899 1.295 -8.252 149 1HB HIS 20 1HB HIS 20 0.445 2.051 -6.476 150 2HB HIS 20 2HB HIS 20 -1.222 2.566 -6.188 151 HD1 HIS 20 HND HIS 20 0.766 -0.741 -6.372 152 HD2 HIS 20 HD HIS 20 -2.750 0.980 -4.824 153 HE1 HIS 20 HE HIS 20 -0.274 -2.458 -4.783 154 H ALA 21 H ALA 21 1.088 2.995 -9.046 155 HA ALA 21 HA ALA 21 0.029 5.646 -9.101 156 1HB ALA 21 1HB ALA 21 2.260 4.721 -10.937 157 2HB ALA 21 2HB ALA 21 1.891 6.323 -10.390 158 3HB ALA 21 3HB ALA 21 2.474 5.118 -9.213 159 H GLU 22 H GLU 22 0.193 3.247 -11.785 160 HA GLU 22 HA GLU 22 -1.083 5.044 -13.688 161 1HB GLU 22 1HB GLU 22 -1.576 2.643 -14.821 162 2HB GLU 22 2HB GLU 22 -0.059 3.532 -15.027 163 1HG GLU 22 1HG GLU 22 1.032 2.166 -13.376 164 2HG GLU 22 2HG GLU 22 -0.504 1.376 -12.969 165 H LYS 23 H LYS 23 -2.216 2.234 -11.724 166 HA LYS 23 HA LYS 23 -4.811 2.285 -12.876 167 1HB LYS 23 1HB LYS 23 -3.793 1.139 -10.256 168 2HB LYS 23 2HB LYS 23 -5.511 1.196 -10.638 169 1HG LYS 23 1HG LYS 23 -4.975 -0.900 -11.419 170 2HG LYS 23 2HG LYS 23 -4.934 0.080 -12.898 171 1HD LYS 23 1HD LYS 23 -2.485 0.220 -12.743 172 2HD LYS 23 2HD LYS 23 -2.541 -0.724 -11.224 173 1HE LYS 23 1HE LYS 23 -3.344 -2.680 -12.359 174 2HE LYS 23 2HE LYS 23 -3.619 -1.785 -13.863 175 1HZ LYS 23 1HZ LYS 23 -0.991 -2.280 -12.631 176 2HZ LYS 23 2HZ LYS 23 -1.598 -3.051 -13.952 177 3HZ LYS 23 3HZ LYS 23 -1.238 -1.447 -14.019 178 H LEU 24 H LEU 24 -3.727 3.910 -9.772 179 HA LEU 24 HA LEU 24 -6.305 5.268 -9.639 180 1HB LEU 24 1HB LEU 24 -3.694 5.639 -8.139 181 2HB LEU 24 2HB LEU 24 -5.270 6.350 -7.744 182 HG LEU 24 HG LEU 24 -5.167 4.707 -6.309 183 1HD1 LEU 24 1HD1 LEU 24 -6.490 3.161 -8.519 184 2HD1 LEU 24 2HD1 LEU 24 -6.714 2.951 -6.770 185 3HD1 LEU 24 3HD1 LEU 24 -7.246 4.463 -7.547 186 1HD2 LEU 24 1HD2 LEU 24 -4.011 2.625 -8.145 187 2HD2 LEU 24 2HD2 LEU 24 -3.142 3.578 -6.894 188 3HD2 LEU 24 3HD2 LEU 24 -4.396 2.428 -6.435 189 H GLY 25 H GLY 25 -2.907 6.235 -10.488 190 1HA GLY 25 1HA GLY 25 -2.391 8.204 -11.703 191 2HA GLY 25 2HA GLY 25 -3.939 8.928 -11.296 192 H CYS 26 H CYS 26 -1.680 7.327 -9.062 193 HA CYS 26 HA CYS 26 -0.137 8.039 -7.588 194 1HB CYS 26 1HB CYS 26 0.227 9.755 -9.609 195 2HB CYS 26 2HB CYS 26 -0.297 10.914 -8.392 196 H ASP 27 H ASP 27 -2.791 10.317 -7.801 197 HA ASP 27 HA ASP 27 -2.934 11.734 -5.474 198 1HB ASP 27 1HB ASP 27 -5.339 11.713 -5.879 199 2HB ASP 27 2HB ASP 27 -4.467 11.927 -7.401 200 H ALA 28 H ALA 28 -4.043 8.511 -6.129 201 HA ALA 28 HA ALA 28 -5.133 7.223 -4.220 202 1HB ALA 28 1HB ALA 28 -2.301 6.421 -5.046 203 2HB ALA 28 2HB ALA 28 -3.604 5.320 -4.570 204 3HB ALA 28 3HB ALA 28 -3.702 6.287 -6.067 205 H CYS 29 H CYS 29 -1.762 8.092 -3.911 206 HA CYS 29 HA CYS 29 -1.821 7.836 -0.921 207 1HB CYS 29 1HB CYS 29 0.489 7.114 -2.693 208 2HB CYS 29 2HB CYS 29 0.240 6.724 -0.978 209 H HIS 30 H HIS 30 -0.564 9.598 -3.802 210 HA HIS 30 HA HIS 30 0.818 11.539 -1.985 211 1HB HIS 30 1HB HIS 30 1.375 10.751 -4.853 212 2HB HIS 30 2HB HIS 30 2.226 11.984 -3.943 213 HD1 HIS 30 HND HIS 30 3.438 10.840 -1.586 214 HD2 HIS 30 HD HIS 30 2.646 8.597 -4.976 215 HE1 HIS 30 HE HIS 30 5.168 8.848 -1.611 216 H GLU 31 H GLU 31 -1.256 12.505 -1.745 217 HA GLU 31 HA GLU 31 -3.056 13.421 -3.619 218 1HB GLU 31 1HB GLU 31 -2.092 14.635 -0.988 219 2HB GLU 31 2HB GLU 31 -3.424 15.357 -1.910 220 1HG GLU 31 1HG GLU 31 -3.552 12.424 -1.448 221 2HG GLU 31 2HG GLU 31 -3.735 13.448 -0.010 222 H GLY 32 H GLY 32 -0.970 15.792 -2.151 223 1HA GLY 32 1HA GLY 32 -1.193 17.595 -4.438 224 2HA GLY 32 2HA GLY 32 -0.323 17.903 -2.929 225 H THR 33 H THR 33 1.467 15.753 -2.882 226 HA THR 33 HA THR 33 2.953 15.495 -5.309 227 HB THR 33 HB THR 33 3.711 17.739 -4.877 228 HG1 THR 33 HG1 THR 33 5.721 16.056 -3.751 229 1HG2 THR 33 1HG2 THR 33 4.286 16.932 -1.990 230 2HG2 THR 33 2HG2 THR 33 4.722 18.470 -2.754 231 3HG2 THR 33 3HG2 THR 33 3.019 18.052 -2.536 232 HA PRO 34 HA PRO 34 4.456 12.322 -2.425 233 1HB PRO 34 1HB PRO 34 6.704 11.428 -3.683 234 2HB PRO 34 2HB PRO 34 5.063 10.970 -4.211 235 1HG PRO 34 1HG PRO 34 6.818 13.090 -5.345 236 2HG PRO 34 2HG PRO 34 5.781 11.876 -6.184 237 1HD PRO 34 1HD PRO 34 5.035 14.501 -5.812 238 2HD PRO 34 2HD PRO 34 3.862 13.157 -5.881 239 H ALA 35 H ALA 35 6.042 12.179 -0.882 240 HA ALA 35 HA ALA 35 8.505 13.588 -0.776 241 1HB ALA 35 1HB ALA 35 7.932 15.149 1.084 242 2HB ALA 35 2HB ALA 35 7.093 15.594 -0.406 243 3HB ALA 35 3HB ALA 35 6.213 14.747 0.884 244 H LYS 36 H LYS 36 7.941 10.983 -0.578 245 HA LYS 36 HA LYS 36 7.725 9.088 0.542 246 1HB LYS 36 1HB LYS 36 8.683 10.652 2.985 247 2HB LYS 36 2HB LYS 36 8.503 8.917 2.872 248 1HG LYS 36 1HG LYS 36 10.105 9.031 0.827 249 2HG LYS 36 2HG LYS 36 10.385 10.716 1.276 250 1HD LYS 36 1HD LYS 36 12.161 9.501 2.295 251 2HD LYS 36 2HD LYS 36 11.013 9.829 3.607 252 1HE LYS 36 1HE LYS 36 11.204 7.554 3.982 253 2HE LYS 36 2HE LYS 36 10.004 7.457 2.725 254 1HZ LYS 36 1HZ LYS 36 12.874 7.000 2.363 255 2HZ LYS 36 2HZ LYS 36 11.606 5.976 2.072 256 3HZ LYS 36 3HZ LYS 36 11.853 7.267 1.116 257 H ILE 37 H ILE 37 6.330 7.829 1.864 258 HA ILE 37 HA ILE 37 4.504 9.374 3.672 259 HB ILE 37 HB ILE 37 3.194 6.956 2.705 260 1HG1 ILE 37 1HG1 ILE 37 3.852 9.007 0.591 261 2HG1 ILE 37 2HG1 ILE 37 4.466 7.350 0.695 262 1HG2 ILE 37 1HG2 ILE 37 2.360 9.871 2.503 263 2HG2 ILE 37 2HG2 ILE 37 1.302 8.440 2.503 264 3HG2 ILE 37 3HG2 ILE 37 2.186 8.871 3.964 265 1HD1 ILE 37 1HD1 ILE 37 1.565 8.203 0.306 266 2HD1 ILE 37 2HD1 ILE 37 2.609 7.469 -0.905 267 3HD1 ILE 37 3HD1 ILE 37 2.107 6.519 0.514 268 H ALA 38 H ALA 38 6.830 7.027 3.509 269 HA ALA 38 HA ALA 38 7.711 5.589 4.929 270 1HB ALA 38 1HB ALA 38 7.131 5.517 7.258 271 2HB ALA 38 2HB ALA 38 7.146 7.212 6.705 272 3HB ALA 38 3HB ALA 38 5.606 6.360 6.996 273 H ILE 39 H ILE 39 4.184 5.395 5.476 274 HA ILE 39 HA ILE 39 2.838 3.666 5.994 275 HB ILE 39 HB ILE 39 4.419 2.597 3.627 276 1HG1 ILE 39 1HG1 ILE 39 2.971 4.623 3.379 277 2HG1 ILE 39 2HG1 ILE 39 2.576 3.291 2.309 278 1HG2 ILE 39 1HG2 ILE 39 3.719 0.629 4.815 279 2HG2 ILE 39 2HG2 ILE 39 2.041 1.209 4.831 280 3HG2 ILE 39 3HG2 ILE 39 2.853 0.815 3.308 281 1HD1 ILE 39 1HD1 ILE 39 1.053 4.189 4.781 282 2HD1 ILE 39 2HD1 ILE 39 0.545 4.254 3.089 283 3HD1 ILE 39 3HD1 ILE 39 0.718 2.684 3.895 284 H ASP 40 H ASP 40 2.523 2.102 7.441 285 HA ASP 40 HA ASP 40 4.904 0.720 8.576 286 1HB ASP 40 1HB ASP 40 3.144 2.655 10.173 287 2HB ASP 40 2HB ASP 40 4.378 1.583 10.835 288 H LYS 41 H LYS 41 4.078 -0.720 10.391 289 HA LYS 41 HA LYS 41 2.134 -2.443 9.433 290 1HB LYS 41 1HB LYS 41 3.716 -3.093 11.102 291 2HB LYS 41 2HB LYS 41 3.052 -1.989 12.306 292 1HG LYS 41 1HG LYS 41 1.204 -4.045 11.092 293 2HG LYS 41 2HG LYS 41 2.506 -4.603 12.164 294 1HD LYS 41 1HD LYS 41 1.773 -3.202 13.996 295 2HD LYS 41 2HD LYS 41 0.545 -2.423 12.998 296 1HE LYS 41 1HE LYS 41 -0.408 -4.132 14.525 297 2HE LYS 41 2HE LYS 41 -0.762 -4.419 12.816 298 1HZ LYS 41 1HZ LYS 41 0.953 -6.063 12.766 299 2HZ LYS 41 2HZ LYS 41 1.373 -5.768 14.335 300 3HZ LYS 41 3HZ LYS 41 -0.095 -6.422 13.984 301 H LYS 42 H LYS 42 1.596 0.118 11.865 302 HA LYS 42 HA LYS 42 -1.289 -0.314 11.908 303 1HB LYS 42 1HB LYS 42 0.398 2.059 12.818 304 2HB LYS 42 2HB LYS 42 -1.362 1.923 12.989 305 1HG LYS 42 1HG LYS 42 -1.014 -0.252 14.233 306 2HG LYS 42 2HG LYS 42 0.730 0.086 14.235 307 1HD LYS 42 1HD LYS 42 0.321 2.201 15.453 308 2HD LYS 42 2HD LYS 42 -1.431 1.914 15.385 309 1HE LYS 42 1HE LYS 42 -1.123 -0.203 16.697 310 2HE LYS 42 2HE LYS 42 0.612 0.136 16.814 311 1HZ LYS 42 1HZ LYS 42 0.066 2.139 18.032 312 2HZ LYS 42 2HZ LYS 42 -1.545 1.819 17.917 313 3HZ LYS 42 3HZ LYS 42 -0.566 0.818 18.775 314 H SER 43 H SER 43 0.845 2.174 10.325 315 HA SER 43 HA SER 43 -1.338 3.266 8.771 316 1HB SER 43 1HB SER 43 1.656 3.592 8.698 317 2HB SER 43 2HB SER 43 0.452 4.624 7.901 318 HG SER 43 HG SER 43 -0.347 5.149 10.010 319 H ALA 44 H ALA 44 -1.553 0.945 8.156 320 HA ALA 44 HA ALA 44 -1.194 0.514 5.348 321 1HB ALA 44 1HB ALA 44 1.089 -0.237 6.114 322 2HB ALA 44 2HB ALA 44 0.341 -1.380 7.228 323 3HB ALA 44 3HB ALA 44 0.116 -1.582 5.485 324 H HIS 45 H HIS 45 -1.465 -0.990 8.508 325 HA HIS 45 HA HIS 45 -3.564 -2.875 7.660 326 1HB HIS 45 1HB HIS 45 -2.506 -2.134 10.398 327 2HB HIS 45 2HB HIS 45 -3.823 -3.253 10.119 328 HD1 HIS 45 HND HIS 45 -2.543 -5.202 11.191 329 HD2 HIS 45 HD HIS 45 -0.796 -3.668 7.680 330 HE1 HIS 45 HE HIS 45 -0.785 -6.879 10.437 331 H LYS 46 H LYS 46 -3.517 0.479 8.801 332 HA LYS 46 HA LYS 46 -6.308 0.626 8.034 333 1HB LYS 46 1HB LYS 46 -6.536 0.079 10.420 334 2HB LYS 46 2HB LYS 46 -5.398 1.360 10.846 335 1HG LYS 46 1HG LYS 46 -7.682 2.012 11.324 336 2HG LYS 46 2HG LYS 46 -6.971 3.073 10.111 337 1HD LYS 46 1HD LYS 46 -8.254 1.965 8.326 338 2HD LYS 46 2HD LYS 46 -8.745 0.682 9.434 339 1HE LYS 46 1HE LYS 46 -10.624 2.147 9.101 340 2HE LYS 46 2HE LYS 46 -10.061 2.356 10.766 341 1HZ LYS 46 1HZ LYS 46 -9.445 4.165 8.495 342 2HZ LYS 46 2HZ LYS 46 -10.530 4.489 9.697 343 3HZ LYS 46 3HZ LYS 46 -8.899 4.410 9.945 344 H ASP 47 H ASP 47 -6.475 2.411 6.824 345 HA ASP 47 HA ASP 47 -6.399 4.423 6.007 346 1HB ASP 47 1HB ASP 47 -5.194 5.227 8.639 347 2HB ASP 47 2HB ASP 47 -5.779 6.301 7.345 348 H ALA 48 H ALA 48 -4.871 2.517 5.276 349 HA ALA 48 HA ALA 48 -3.513 4.087 3.325 350 1HB ALA 48 1HB ALA 48 -1.407 2.571 3.716 351 2HB ALA 48 2HB ALA 48 -1.639 4.010 4.744 352 3HB ALA 48 3HB ALA 48 -2.108 2.429 5.373 353 H CYS 49 H CYS 49 -2.544 0.790 3.916 354 HA CYS 49 HA CYS 49 -3.473 0.054 1.355 355 1HB CYS 49 1HB CYS 49 -2.634 -1.914 3.446 356 2HB CYS 49 2HB CYS 49 -2.410 -2.007 1.710 357 H LYS 50 H LYS 50 -4.491 -1.326 4.557 358 HA LYS 50 HA LYS 50 -6.639 -2.778 3.339 359 1HB LYS 50 1HB LYS 50 -6.180 -1.977 6.214 360 2HB LYS 50 2HB LYS 50 -7.607 -2.867 5.675 361 1HG LYS 50 1HG LYS 50 -6.035 -4.594 4.636 362 2HG LYS 50 2HG LYS 50 -4.730 -3.802 5.551 363 1HD LYS 50 1HD LYS 50 -5.975 -4.175 7.650 364 2HD LYS 50 2HD LYS 50 -7.300 -4.948 6.786 365 1HE LYS 50 1HE LYS 50 -4.432 -6.014 6.777 366 2HE LYS 50 2HE LYS 50 -5.629 -6.477 7.988 367 1HZ LYS 50 1HZ LYS 50 -6.992 -7.469 6.293 368 2HZ LYS 50 2HZ LYS 50 -5.982 -6.952 5.102 369 3HZ LYS 50 3HZ LYS 50 -5.509 -8.085 6.200 370 H THR 51 H THR 51 -6.531 0.578 4.517 371 HA THR 51 HA THR 51 -9.349 1.003 4.601 372 HB THR 51 HB THR 51 -6.997 2.852 4.177 373 HG1 THR 51 HG1 THR 51 -8.165 3.517 6.285 374 1HG2 THR 51 1HG2 THR 51 -8.553 4.758 4.483 375 2HG2 THR 51 2HG2 THR 51 -8.757 3.956 2.926 376 3HG2 THR 51 3HG2 THR 51 -9.930 3.663 4.232 377 H CYS 52 H CYS 52 -7.044 1.357 1.817 378 HA CYS 52 HA CYS 52 -9.216 1.891 -0.044 379 1HB CYS 52 1HB CYS 52 -6.325 1.110 -0.234 380 2HB CYS 52 2HB CYS 52 -7.399 0.750 -1.591 381 H HIS 53 H HIS 53 -7.255 -1.052 0.672 382 HA HIS 53 HA HIS 53 -8.470 -2.560 -1.342 383 1HB HIS 53 1HB HIS 53 -7.145 -3.479 1.212 384 2HB HIS 53 2HB HIS 53 -7.651 -4.551 -0.092 385 HD1 HIS 53 HND HIS 53 -4.928 -5.096 0.211 386 HD2 HIS 53 HD HIS 53 -6.069 -1.621 -1.888 387 HE1 HIS 53 HE HIS 53 -2.967 -4.382 -1.215 388 H LYS 54 H LYS 54 -9.581 -2.123 2.032 389 HA LYS 54 HA LYS 54 -11.640 -4.068 2.127 390 1HB LYS 54 1HB LYS 54 -11.308 -1.297 3.328 391 2HB LYS 54 2HB LYS 54 -12.824 -2.187 3.494 392 1HG LYS 54 1HG LYS 54 -11.718 -4.083 4.519 393 2HG LYS 54 2HG LYS 54 -10.135 -3.287 4.395 394 1HD LYS 54 1HD LYS 54 -10.807 -1.515 5.882 395 2HD LYS 54 2HD LYS 54 -12.517 -1.983 5.776 396 1HE LYS 54 1HE LYS 54 -12.009 -4.147 6.912 397 2HE LYS 54 2HE LYS 54 -10.319 -3.641 7.105 398 1HZ LYS 54 1HZ LYS 54 -11.654 -3.243 9.072 399 2HZ LYS 54 2HZ LYS 54 -11.097 -1.820 8.464 400 3HZ LYS 54 3HZ LYS 54 -12.669 -2.257 8.239 401 H SER 55 H SER 55 -11.506 -0.954 0.396 402 HA SER 55 HA SER 55 -14.385 -1.133 -0.308 403 1HB SER 55 1HB SER 55 -13.378 1.033 0.453 404 2HB SER 55 2HB SER 55 -12.313 0.993 -0.970 405 HG SER 55 HG SER 55 -14.284 0.827 -2.224 406 H ASN 56 H ASN 56 -12.115 -3.056 -1.322 407 HA ASN 56 HA ASN 56 -12.849 -2.849 -4.182 408 1HB ASN 56 1HB ASN 56 -10.024 -3.116 -3.038 409 2HB ASN 56 2HB ASN 56 -10.453 -3.552 -4.687 410 1HD2 ASN 56 1HD2 ASN 56 -10.069 -0.762 -2.464 411 2HD2 ASN 56 2HD2 ASN 56 -10.092 0.406 -3.771 412 H ASN 57 H ASN 57 -12.151 -4.936 -5.217 413 HA ASN 57 HA ASN 57 -12.791 -7.310 -3.527 414 1HB ASN 57 1HB ASN 57 -12.045 -6.973 -6.467 415 2HB ASN 57 2HB ASN 57 -12.228 -8.539 -5.665 416 1HD2 ASN 57 1HD2 ASN 57 -13.783 -7.674 -7.935 417 2HD2 ASN 57 2HD2 ASN 57 -15.448 -7.606 -7.383 418 H GLY 58 H GLY 58 -11.085 -7.724 -2.089 419 1HA GLY 58 1HA GLY 58 -8.429 -8.211 -3.120 420 2HA GLY 58 2HA GLY 58 -8.579 -6.642 -2.290 421 HA PRO 59 HA PRO 59 -7.920 -10.197 0.674 422 1HB PRO 59 1HB PRO 59 -5.362 -9.709 1.548 423 2HB PRO 59 2HB PRO 59 -5.644 -10.374 -0.086 424 1HG PRO 59 1HG PRO 59 -5.260 -7.450 0.657 425 2HG PRO 59 2HG PRO 59 -4.357 -8.368 -0.587 426 1HD PRO 59 1HD PRO 59 -6.492 -6.853 -1.254 427 2HD PRO 59 2HD PRO 59 -6.215 -8.439 -2.034 428 H THR 60 H THR 60 -7.101 -10.166 2.981 429 HA THR 60 HA THR 60 -9.212 -8.370 4.035 430 HB THR 60 HB THR 60 -10.059 -9.847 2.348 431 HG1 THR 60 HG1 THR 60 -11.647 -10.636 3.405 432 1HG2 THR 60 1HG2 THR 60 -9.418 -12.362 3.899 433 2HG2 THR 60 2HG2 THR 60 -10.055 -12.166 2.276 434 3HG2 THR 60 3HG2 THR 60 -8.361 -11.790 2.579 435 H LYS 61 H LYS 61 -7.868 -11.620 4.760 436 HA LYS 61 HA LYS 61 -7.215 -10.811 7.533 437 1HB LYS 61 1HB LYS 61 -6.860 -13.451 6.047 438 2HB LYS 61 2HB LYS 61 -6.530 -13.167 7.766 439 1HG LYS 61 1HG LYS 61 -9.248 -12.983 6.376 440 2HG LYS 61 2HG LYS 61 -8.637 -14.353 7.306 441 1HD LYS 61 1HD LYS 61 -8.477 -12.871 9.331 442 2HD LYS 61 2HD LYS 61 -9.253 -11.572 8.390 443 1HE LYS 61 1HE LYS 61 -11.220 -13.062 7.974 444 2HE LYS 61 2HE LYS 61 -10.451 -14.342 8.926 445 1HZ LYS 61 1HZ LYS 61 -10.567 -12.904 10.845 446 2HZ LYS 61 2HZ LYS 61 -11.293 -11.717 9.961 447 3HZ LYS 61 3HZ LYS 61 -12.057 -13.150 10.202 448 H CYS 62 H CYS 62 -4.979 -12.940 6.004 449 HA CYS 62 HA CYS 62 -3.036 -10.752 5.597 450 1HB CYS 62 1HB CYS 62 -2.210 -13.487 6.437 451 2HB CYS 62 2HB CYS 62 -1.361 -11.940 6.618 452 H GLY 63 H GLY 63 -0.974 -12.167 4.598 453 1HA GLY 63 1HA GLY 63 -0.195 -13.470 2.838 454 2HA GLY 63 2HA GLY 63 -1.856 -13.894 2.397 455 H GLY 64 H GLY 64 -3.015 -11.505 2.029 456 1HA GLY 64 1HA GLY 64 -2.930 -10.541 -0.407 457 2HA GLY 64 2HA GLY 64 -3.058 -9.456 1.002 458 H CYS 65 H CYS 65 -0.619 -9.359 2.024 459 HA CYS 65 HA CYS 65 0.865 -7.795 -0.058 460 1HB CYS 65 1HB CYS 65 0.514 -7.177 2.857 461 2HB CYS 65 2HB CYS 65 1.125 -6.093 1.599 462 H HIS 66 H HIS 66 1.199 -9.440 3.120 463 HA HIS 66 HA HIS 66 4.105 -9.598 2.928 464 1HB HIS 66 1HB HIS 66 2.143 -11.093 4.721 465 2HB HIS 66 2HB HIS 66 3.885 -11.066 4.896 466 HD1 HIS 66 HND HIS 66 4.946 -8.488 5.550 467 HD2 HIS 66 HD HIS 66 0.800 -9.139 5.973 468 HE1 HIS 66 HE HIS 66 4.083 -6.687 7.011 469 H ILE 67 H ILE 67 4.959 -10.926 1.323 470 HA ILE 67 HA ILE 67 3.605 -13.374 0.492 471 HB ILE 67 HB ILE 67 6.439 -12.437 -0.075 472 1HG1 ILE 67 1HG1 ILE 67 4.970 -10.686 -0.841 473 2HG1 ILE 67 2HG1 ILE 67 5.569 -11.596 -2.219 474 1HG2 ILE 67 1HG2 ILE 67 6.170 -14.798 -0.591 475 2HG2 ILE 67 2HG2 ILE 67 4.646 -14.497 -1.437 476 3HG2 ILE 67 3HG2 ILE 67 6.176 -13.889 -2.102 477 1HD1 ILE 67 1HD1 ILE 67 3.383 -12.817 -2.351 478 2HD1 ILE 67 2HD1 ILE 67 2.780 -11.832 -0.996 479 3HD1 ILE 67 3HD1 ILE 67 3.219 -11.064 -2.525 480 H LYS 68 H LYS 68 3.289 -14.238 2.718 481 HA LYS 68 HA LYS 68 5.241 -16.266 3.165 482 1HB LYS 68 1HB LYS 68 6.039 -14.158 4.557 483 2HB LYS 68 2HB LYS 68 4.610 -14.458 5.541 484 1HG LYS 68 1HG LYS 68 6.516 -15.510 6.577 485 2HG LYS 68 2HG LYS 68 5.451 -16.777 5.990 486 1HD LYS 68 1HD LYS 68 6.923 -17.554 4.457 487 2HD LYS 68 2HD LYS 68 7.459 -15.954 3.950 488 1HE LYS 68 1HE LYS 68 8.330 -17.236 6.580 489 2HE LYS 68 2HE LYS 68 9.226 -17.426 5.065 490 1HZ LYS 68 1HZ LYS 68 8.618 -14.797 6.263 491 2HZ LYS 68 2HZ LYS 68 10.052 -15.589 6.439 492 3HZ LYS 68 3HZ LYS 68 9.547 -15.086 4.955 493 HHA HEC 69 HCM HEC 69 8.577 7.056 -1.116 494 HHB HEC 69 HDM HEC 69 7.097 9.943 -6.588 495 HHC HEC 69 HAM HEC 69 1.832 6.339 -7.043 496 HHD HEC 69 HBM HEC 69 2.827 4.492 -0.956 497 1HMA HEC 69 HM81 HEC 69 10.359 9.914 -5.455 498 2HMA HEC 69 HM82 HEC 69 8.931 10.835 -5.963 499 3HMA HEC 69 HM83 HEC 69 9.656 11.148 -4.392 500 1HAA HEC 69 HP71 HEC 69 10.609 9.866 -2.739 501 2HAA HEC 69 HP72 HEC 69 9.781 9.103 -1.394 502 1HBA HEC 69 HP73 HEC 69 10.716 6.904 -2.110 503 2HBA HEC 69 HP74 HEC 69 11.541 7.717 -3.449 504 1HMB HEC 69 HM11 HEC 69 5.387 9.443 -9.768 505 2HMB HEC 69 HM12 HEC 69 4.758 10.743 -8.720 506 3HMB HEC 69 HM13 HEC 69 6.434 10.189 -8.586 507 HAB HEC 69 HT2A HEC 69 1.841 7.683 -8.668 508 1HBB HEC 69 HT21 HEC 69 3.540 8.143 -10.574 509 2HBB HEC 69 HT22 HEC 69 1.900 8.772 -10.724 510 3HBB HEC 69 HT23 HEC 69 3.194 9.861 -10.247 511 1HMC HEC 69 HM31 HEC 69 -0.279 6.004 -5.900 512 2HMC HEC 69 HM32 HEC 69 0.288 4.421 -6.435 513 3HMC HEC 69 HM33 HEC 69 -0.783 4.563 -5.033 514 HAC HEC 69 HT4A HEC 69 0.810 4.111 -1.462 515 1HBC HEC 69 HT41 HEC 69 0.913 2.099 -2.881 516 2HBC HEC 69 HT42 HEC 69 -0.680 2.350 -2.152 517 3HBC HEC 69 HT43 HEC 69 -0.424 2.716 -3.859 518 1HMD HEC 69 HM51 HEC 69 4.027 3.592 0.629 519 2HMD HEC 69 HM52 HEC 69 5.532 3.812 1.522 520 3HMD HEC 69 HM53 HEC 69 4.255 5.041 1.637 521 1HAD HEC 69 HP61 HEC 69 8.127 6.584 0.904 522 2HAD HEC 69 HP62 HEC 69 7.095 5.553 1.827 523 1HBD HEC 69 HP63 HEC 69 8.113 3.556 0.985 524 2HBD HEC 69 HP64 HEC 69 8.984 4.469 -0.265 525 HHA HEC 70 HCM HEC 70 -3.808 -5.074 -6.237 526 HHB HEC 70 HDM HEC 70 0.366 -4.374 -1.381 527 HHC HEC 70 HAM HEC 70 -2.172 1.371 -0.243 528 HHD HEC 70 HBM HEC 70 -6.608 0.418 -4.635 529 1HMA HEC 70 HM81 HEC 70 1.152 -6.262 -3.438 530 2HMA HEC 70 HM82 HEC 70 0.155 -6.644 -2.012 531 3HMA HEC 70 HM83 HEC 70 -0.063 -7.562 -3.495 532 1HAA HEC 70 HP71 HEC 70 -2.261 -6.675 -6.436 533 2HAA HEC 70 HP72 HEC 70 -1.019 -7.490 -5.523 534 1HBA HEC 70 HP73 HEC 70 -2.693 -8.174 -3.824 535 2HBA HEC 70 HP74 HEC 70 -3.958 -7.356 -4.755 536 1HMB HEC 70 HM11 HEC 70 1.141 -2.274 1.621 537 2HMB HEC 70 HM12 HEC 70 0.595 -3.783 0.897 538 3HMB HEC 70 HM13 HEC 70 1.901 -2.857 0.129 539 HAB HEC 70 HT2A HEC 70 -0.897 1.007 1.261 540 1HBB HEC 70 HT21 HEC 70 1.242 1.424 1.978 541 2HBB HEC 70 HT22 HEC 70 1.859 -0.167 1.477 542 3HBB HEC 70 HT23 HEC 70 1.379 1.031 0.265 543 1HMC HEC 70 HM31 HEC 70 -2.910 3.469 -0.983 544 2HMC HEC 70 HM32 HEC 70 -4.548 4.023 -1.299 545 3HMC HEC 70 HM33 HEC 70 -4.250 2.952 0.074 546 HAC HEC 70 HT4A HEC 70 -7.176 2.103 -3.485 547 1HBC HEC 70 HT41 HEC 70 -5.442 4.564 -3.265 548 2HBC HEC 70 HT42 HEC 70 -5.664 3.509 -4.683 549 3HBC HEC 70 HT43 HEC 70 -7.047 4.401 -4.013 550 1HMD HEC 70 HM51 HEC 70 -6.944 -0.050 -6.933 551 2HMD HEC 70 HM52 HEC 70 -7.529 -1.566 -7.644 552 3HMD HEC 70 HM53 HEC 70 -8.136 -1.040 -6.063 553 1HAD HEC 70 HP61 HEC 70 -5.581 -4.805 -7.548 554 2HAD HEC 70 HP62 HEC 70 -6.994 -3.789 -7.704 555 1HBD HEC 70 HP63 HEC 70 -5.502 -2.073 -8.887 556 2HBD HEC 70 HP64 HEC 70 -4.242 -3.310 -8.893 557 HHA HEC 71 HCM HEC 71 4.435 -4.166 9.095 558 HHB HEC 71 HDM HEC 71 1.606 -9.500 11.193 559 HHC HEC 71 HAM HEC 71 -2.598 -9.001 6.428 560 HHD HEC 71 HBM HEC 71 0.583 -4.128 4.010 561 1HMA HEC 71 HM81 HEC 71 4.308 -8.614 12.586 562 2HMA HEC 71 HM82 HEC 71 3.718 -7.123 13.291 563 3HMA HEC 71 HM83 HEC 71 2.580 -8.442 12.952 564 1HAA HEC 71 HP71 HEC 71 5.438 -4.778 10.990 565 2HAA HEC 71 HP72 HEC 71 5.541 -6.075 12.163 566 1HBA HEC 71 HP73 HEC 71 6.165 -6.590 9.249 567 2HBA HEC 71 HP74 HEC 71 7.356 -5.779 10.288 568 1HMB HEC 71 HM11 HEC 71 -0.671 -10.835 11.691 569 2HMB HEC 71 HM12 HEC 71 -1.137 -12.034 10.466 570 3HMB HEC 71 HM13 HEC 71 0.565 -11.651 10.698 571 HAB HEC 71 HT2A HEC 71 -3.521 -10.089 7.987 572 1HBB HEC 71 HT21 HEC 71 -3.182 -10.837 10.880 573 2HBB HEC 71 HT22 HEC 71 -3.712 -9.260 10.248 574 3HBB HEC 71 HT23 HEC 71 -4.687 -10.712 9.951 575 1HMC HEC 71 HM31 HEC 71 -3.095 -7.770 2.996 576 2HMC HEC 71 HM32 HEC 71 -2.466 -9.071 4.011 577 3HMC HEC 71 HM33 HEC 71 -3.853 -8.125 4.567 578 HAC HEC 71 HT4A HEC 71 -1.069 -4.406 2.800 579 1HBC HEC 71 HT41 HEC 71 -3.334 -4.169 3.656 580 2HBC HEC 71 HT42 HEC 71 -3.249 -4.254 1.892 581 3HBC HEC 71 HT43 HEC 71 -3.819 -5.654 2.816 582 1HMD HEC 71 HM51 HEC 71 2.492 -1.320 4.806 583 2HMD HEC 71 HM52 HEC 71 3.705 -2.438 4.195 584 3HMD HEC 71 HM53 HEC 71 2.024 -2.608 3.702 585 1HAD HEC 71 HP61 HEC 71 4.020 -1.190 6.776 586 2HAD HEC 71 HP62 HEC 71 4.498 -2.095 8.219 587 1HBD HEC 71 HP63 HEC 71 5.562 -2.494 5.432 588 2HBD HEC 71 HP64 HEC 71 6.419 -1.796 6.813 Start of MODEL 31 1 1H ALA 1 1H ALA 1 8.616 4.934 -6.161 2 2H ALA 1 2H ALA 1 9.798 5.870 -6.818 3 3H ALA 1 3H ALA 1 8.589 5.252 -7.769 4 HA ALA 1 HA ALA 1 10.614 3.982 -8.077 5 1HB ALA 1 1HB ALA 1 11.442 2.665 -6.125 6 2HB ALA 1 2HB ALA 1 11.615 4.415 -5.878 7 3HB ALA 1 3HB ALA 1 10.306 3.529 -5.071 8 H ASP 2 H ASP 2 9.328 2.600 -9.453 9 HA ASP 2 HA ASP 2 7.044 1.302 -8.730 10 1HB ASP 2 1HB ASP 2 8.145 1.597 -11.040 11 2HB ASP 2 2HB ASP 2 9.162 0.210 -10.625 12 H VAL 3 H VAL 3 6.744 -1.015 -8.615 13 HA VAL 3 HA VAL 3 6.715 -2.474 -6.681 14 HB VAL 3 HB VAL 3 7.950 -4.497 -7.617 15 1HG1 VAL 3 1HG1 VAL 3 5.596 -3.999 -8.155 16 2HG1 VAL 3 2HG1 VAL 3 6.110 -2.998 -9.527 17 3HG1 VAL 3 3HG1 VAL 3 6.438 -4.739 -9.525 18 1HG2 VAL 3 1HG2 VAL 3 9.783 -3.252 -8.823 19 2HG2 VAL 3 2HG2 VAL 3 8.887 -4.370 -9.861 20 3HG2 VAL 3 3HG2 VAL 3 8.570 -2.632 -9.960 21 H VAL 4 H VAL 4 7.386 -1.578 -4.834 22 HA VAL 4 HA VAL 4 10.284 -1.800 -4.186 23 HB VAL 4 HB VAL 4 9.621 0.462 -4.209 24 1HG1 VAL 4 1HG1 VAL 4 7.659 1.339 -2.954 25 2HG1 VAL 4 2HG1 VAL 4 7.269 0.422 -4.402 26 3HG1 VAL 4 3HG1 VAL 4 7.102 -0.359 -2.813 27 1HG2 VAL 4 1HG2 VAL 4 9.821 1.173 -1.869 28 2HG2 VAL 4 2HG2 VAL 4 9.262 -0.405 -1.285 29 3HG2 VAL 4 3HG2 VAL 4 10.833 -0.263 -2.104 30 H THR 5 H THR 5 10.572 -2.339 -1.816 31 HA THR 5 HA THR 5 8.203 -3.468 -0.654 32 HB THR 5 HB THR 5 9.241 -5.444 -1.781 33 HG1 THR 5 HG1 THR 5 8.420 -5.300 0.476 34 1HG2 THR 5 1HG2 THR 5 11.620 -4.705 -1.838 35 2HG2 THR 5 2HG2 THR 5 11.715 -4.899 -0.072 36 3HG2 THR 5 3HG2 THR 5 11.433 -6.309 -1.107 37 H TYR 6 H TYR 6 8.014 -3.491 1.418 38 HA TYR 6 HA TYR 6 10.206 -2.324 3.093 39 1HB TYR 6 1HB TYR 6 7.367 -3.018 3.872 40 2HB TYR 6 2HB TYR 6 8.566 -2.206 4.870 41 HD1 TYR 6 HD1 TYR 6 9.656 -0.217 2.763 42 HD2 TYR 6 HD2 TYR 6 5.623 -1.438 3.719 43 HE1 TYR 6 HE1 TYR 6 8.775 1.871 1.828 44 HE2 TYR 6 HE2 TYR 6 4.792 0.697 2.799 45 HH TYR 6 HH TYR 6 6.976 3.314 1.808 46 H GLU 7 H GLU 7 11.678 -3.853 3.366 47 HA GLU 7 HA GLU 7 11.080 -6.655 3.768 48 1HB GLU 7 1HB GLU 7 13.500 -6.728 4.385 49 2HB GLU 7 2HB GLU 7 13.059 -6.361 2.716 50 1HG GLU 7 1HG GLU 7 13.605 -4.000 2.984 51 2HG GLU 7 2HG GLU 7 13.822 -4.209 4.738 52 H ASN 8 H ASN 8 9.592 -6.258 5.273 53 HA ASN 8 HA ASN 8 10.200 -5.631 8.098 54 1HB ASN 8 1HB ASN 8 7.855 -6.070 8.487 55 2HB ASN 8 2HB ASN 8 7.976 -5.085 7.034 56 1HD2 ASN 8 1HD2 ASN 8 7.646 -6.072 4.949 57 2HD2 ASN 8 2HD2 ASN 8 6.854 -7.651 4.830 58 H LYS 9 H LYS 9 9.355 -7.436 9.745 59 HA LYS 9 HA LYS 9 11.182 -9.604 9.242 60 1HB LYS 9 1HB LYS 9 10.431 -8.261 11.432 61 2HB LYS 9 2HB LYS 9 9.282 -9.571 11.619 62 1HG LYS 9 1HG LYS 9 12.256 -10.123 11.180 63 2HG LYS 9 2HG LYS 9 11.691 -9.505 12.720 64 1HD LYS 9 1HD LYS 9 11.933 -11.866 12.874 65 2HD LYS 9 2HD LYS 9 10.234 -11.415 13.091 66 1HE LYS 9 1HE LYS 9 9.606 -12.264 10.981 67 2HE LYS 9 2HE LYS 9 11.281 -12.265 10.364 68 1HZ LYS 9 1HZ LYS 9 11.741 -14.084 11.840 69 2HZ LYS 9 2HZ LYS 9 10.189 -14.082 12.404 70 3HZ LYS 9 3HZ LYS 9 10.498 -14.446 10.830 71 H LYS 10 H LYS 10 7.616 -9.315 9.628 72 HA LYS 10 HA LYS 10 7.232 -12.128 9.725 73 1HB LYS 10 1HB LYS 10 5.038 -11.807 9.984 74 2HB LYS 10 2HB LYS 10 5.719 -10.324 10.608 75 1HG LYS 10 1HG LYS 10 4.365 -9.159 9.281 76 2HG LYS 10 2HG LYS 10 5.159 -9.767 7.860 77 1HD LYS 10 1HD LYS 10 2.852 -11.156 9.326 78 2HD LYS 10 2HD LYS 10 2.698 -10.168 7.875 79 1HE LYS 10 1HE LYS 10 4.422 -11.797 6.812 80 2HE LYS 10 2HE LYS 10 4.074 -12.872 8.170 81 1HZ LYS 10 1HZ LYS 10 2.060 -11.813 6.301 82 2HZ LYS 10 2HZ LYS 10 2.782 -13.257 6.114 83 3HZ LYS 10 3HZ LYS 10 1.812 -12.997 7.426 84 H GLY 11 H GLY 11 7.305 -10.022 6.884 85 1HA GLY 11 1HA GLY 11 8.124 -12.040 5.154 86 2HA GLY 11 2HA GLY 11 6.347 -12.033 5.043 87 H ASN 12 H ASN 12 8.949 -10.839 3.512 88 HA ASN 12 HA ASN 12 8.957 -8.149 3.352 89 1HB ASN 12 1HB ASN 12 9.109 -9.966 0.923 90 2HB ASN 12 2HB ASN 12 9.704 -8.310 1.020 91 1HD2 ASN 12 1HD2 ASN 12 10.728 -8.950 3.962 92 2HD2 ASN 12 2HD2 ASN 12 12.224 -9.768 3.582 93 H VAL 13 H VAL 13 7.642 -6.564 2.929 94 HA VAL 13 HA VAL 13 4.907 -7.080 1.878 95 HB VAL 13 HB VAL 13 6.320 -5.005 3.548 96 1HG1 VAL 13 1HG1 VAL 13 5.248 -3.487 1.941 97 2HG1 VAL 13 2HG1 VAL 13 3.735 -4.407 2.090 98 3HG1 VAL 13 3HG1 VAL 13 4.454 -3.517 3.481 99 1HG2 VAL 13 1HG2 VAL 13 4.967 -7.016 4.358 100 2HG2 VAL 13 2HG2 VAL 13 4.560 -5.448 5.060 101 3HG2 VAL 13 3HG2 VAL 13 3.524 -6.168 3.799 102 H THR 14 H THR 14 5.148 -7.267 -0.331 103 HA THR 14 HA THR 14 6.849 -5.271 -1.752 104 HB THR 14 HB THR 14 5.241 -7.577 -2.877 105 HG1 THR 14 HG1 THR 14 6.998 -8.123 -1.394 106 1HG2 THR 14 1HG2 THR 14 6.774 -7.296 -4.813 107 2HG2 THR 14 2HG2 THR 14 5.792 -5.842 -4.551 108 3HG2 THR 14 3HG2 THR 14 7.495 -5.871 -4.038 109 H PHE 15 H PHE 15 5.888 -3.397 -2.492 110 HA PHE 15 HA PHE 15 2.958 -3.478 -3.015 111 1HB PHE 15 1HB PHE 15 2.616 -1.325 -2.019 112 2HB PHE 15 2HB PHE 15 3.240 -2.460 -0.826 113 HD1 PHE 15 HD1 PHE 15 3.754 0.725 -2.439 114 HD2 PHE 15 HD2 PHE 15 5.675 -2.407 -0.174 115 HE1 PHE 15 HE1 PHE 15 5.512 2.311 -1.719 116 HE2 PHE 15 HE2 PHE 15 7.458 -0.833 0.481 117 HZ PHE 15 HZ PHE 15 7.337 1.529 -0.227 118 H ASP 16 H ASP 16 2.574 -3.003 -5.020 119 HA ASP 16 HA ASP 16 4.544 -1.879 -6.762 120 1HB ASP 16 1HB ASP 16 1.629 -2.046 -7.474 121 2HB ASP 16 2HB ASP 16 3.077 -2.438 -8.433 122 H HIS 17 H HIS 17 4.437 0.215 -7.748 123 HA HIS 17 HA HIS 17 3.152 2.283 -5.969 124 1HB HIS 17 1HB HIS 17 5.367 1.684 -5.241 125 2HB HIS 17 2HB HIS 17 6.022 1.899 -6.851 126 HD1 HIS 17 HND HIS 17 7.458 3.410 -4.693 127 HD2 HIS 17 HD HIS 17 3.839 4.847 -6.265 128 HE1 HIS 17 HE HIS 17 7.349 5.829 -4.133 129 H LYS 18 H LYS 18 5.387 2.461 -8.728 130 HA LYS 18 HA LYS 18 4.083 4.379 -10.338 131 1HB LYS 18 1HB LYS 18 6.220 3.777 -10.938 132 2HB LYS 18 2HB LYS 18 5.927 2.069 -10.725 133 1HG LYS 18 1HG LYS 18 4.748 3.600 -13.080 134 2HG LYS 18 2HG LYS 18 6.345 2.837 -13.017 135 1HD LYS 18 1HD LYS 18 5.032 0.695 -12.246 136 2HD LYS 18 2HD LYS 18 3.670 1.504 -13.052 137 1HE LYS 18 1HE LYS 18 4.488 0.090 -14.655 138 2HE LYS 18 2HE LYS 18 5.077 1.684 -15.136 139 1HZ LYS 18 1HZ LYS 18 6.651 -0.296 -13.579 140 2HZ LYS 18 2HZ LYS 18 6.748 -0.148 -15.220 141 3HZ LYS 18 3HZ LYS 18 7.222 1.078 -14.222 142 H ALA 19 H ALA 19 3.782 0.821 -10.373 143 HA ALA 19 HA ALA 19 1.626 0.381 -12.012 144 1HB ALA 19 1HB ALA 19 2.023 -0.688 -9.236 145 2HB ALA 19 2HB ALA 19 1.008 -1.471 -10.474 146 3HB ALA 19 3HB ALA 19 2.776 -1.365 -10.706 147 H HIS 20 H HIS 20 1.218 1.178 -8.487 148 HA HIS 20 HA HIS 20 -1.640 1.407 -8.648 149 1HB HIS 20 1HB HIS 20 0.395 2.421 -6.631 150 2HB HIS 20 2HB HIS 20 -1.334 2.765 -6.529 151 HD1 HIS 20 HND HIS 20 0.296 -0.676 -7.244 152 HD2 HIS 20 HD HIS 20 -2.239 1.349 -4.615 153 HE1 HIS 20 HE HIS 20 -0.623 -2.439 -5.627 154 H ALA 21 H ALA 21 1.044 3.626 -9.272 155 HA ALA 21 HA ALA 21 -0.480 6.057 -9.285 156 1HB ALA 21 1HB ALA 21 2.042 5.918 -9.268 157 2HB ALA 21 2HB ALA 21 1.991 5.518 -10.989 158 3HB ALA 21 3HB ALA 21 1.340 7.038 -10.475 159 H GLU 22 H GLU 22 0.459 3.922 -11.961 160 HA GLU 22 HA GLU 22 -0.943 5.518 -13.936 161 1HB GLU 22 1HB GLU 22 -0.391 3.784 -15.554 162 2HB GLU 22 2HB GLU 22 1.008 4.302 -14.609 163 1HG GLU 22 1HG GLU 22 0.743 2.238 -13.193 164 2HG GLU 22 2HG GLU 22 -0.539 1.701 -14.290 165 H LYS 23 H LYS 23 -1.710 2.499 -12.180 166 HA LYS 23 HA LYS 23 -4.216 2.015 -13.353 167 1HB LYS 23 1HB LYS 23 -3.131 1.473 -10.563 168 2HB LYS 23 2HB LYS 23 -4.592 0.721 -11.209 169 1HG LYS 23 1HG LYS 23 -1.967 0.524 -12.769 170 2HG LYS 23 2HG LYS 23 -2.233 -0.510 -11.381 171 1HD LYS 23 1HD LYS 23 -4.421 -0.277 -13.430 172 2HD LYS 23 2HD LYS 23 -2.937 -1.143 -13.893 173 1HE LYS 23 1HE LYS 23 -3.088 -2.670 -12.023 174 2HE LYS 23 2HE LYS 23 -4.357 -1.704 -11.260 175 1HZ LYS 23 1HZ LYS 23 -5.026 -2.941 -13.828 176 2HZ LYS 23 2HZ LYS 23 -4.868 -3.852 -12.430 177 3HZ LYS 23 3HZ LYS 23 -5.904 -2.688 -12.382 178 H LEU 24 H LEU 24 -3.545 3.807 -10.245 179 HA LEU 24 HA LEU 24 -6.348 4.637 -10.130 180 1HB LEU 24 1HB LEU 24 -3.950 5.245 -8.366 181 2HB LEU 24 2HB LEU 24 -5.591 5.824 -8.123 182 HG LEU 24 HG LEU 24 -4.832 3.941 -6.716 183 1HD1 LEU 24 1HD1 LEU 24 -7.405 3.518 -8.293 184 2HD1 LEU 24 2HD1 LEU 24 -7.062 2.897 -6.665 185 3HD1 LEU 24 3HD1 LEU 24 -7.195 4.641 -6.929 186 1HD2 LEU 24 1HD2 LEU 24 -5.084 1.659 -7.390 187 2HD2 LEU 24 2HD2 LEU 24 -5.336 2.134 -9.080 188 3HD2 LEU 24 3HD2 LEU 24 -3.775 2.436 -8.261 189 H GLY 25 H GLY 25 -3.126 6.397 -10.377 190 1HA GLY 25 1HA GLY 25 -3.616 8.365 -12.034 191 2HA GLY 25 2HA GLY 25 -4.540 8.971 -10.641 192 H CYS 26 H CYS 26 -3.446 9.231 -8.632 193 HA CYS 26 HA CYS 26 -0.757 8.768 -8.004 194 1HB CYS 26 1HB CYS 26 -0.482 10.673 -9.911 195 2HB CYS 26 2HB CYS 26 -1.015 11.726 -8.630 196 H ASP 27 H ASP 27 -3.243 11.056 -7.966 197 HA ASP 27 HA ASP 27 -3.515 12.414 -5.581 198 1HB ASP 27 1HB ASP 27 -5.926 12.188 -6.125 199 2HB ASP 27 2HB ASP 27 -4.965 12.679 -7.524 200 H ALA 28 H ALA 28 -4.448 9.190 -6.476 201 HA ALA 28 HA ALA 28 -5.784 8.036 -4.512 202 1HB ALA 28 1HB ALA 28 -4.791 5.947 -5.214 203 2HB ALA 28 2HB ALA 28 -4.786 7.051 -6.600 204 3HB ALA 28 3HB ALA 28 -3.287 6.750 -5.708 205 H CYS 29 H CYS 29 -2.315 8.670 -4.350 206 HA CYS 29 HA CYS 29 -2.326 8.121 -1.391 207 1HB CYS 29 1HB CYS 29 -0.052 7.627 -3.289 208 2HB CYS 29 2HB CYS 29 -0.098 7.265 -1.553 209 H HIS 30 H HIS 30 -0.890 9.991 -4.124 210 HA HIS 30 HA HIS 30 0.259 11.931 -2.155 211 1HB HIS 30 1HB HIS 30 0.845 11.497 -5.089 212 2HB HIS 30 2HB HIS 30 1.592 12.700 -4.052 213 HD1 HIS 30 HND HIS 30 3.035 11.534 -1.912 214 HD2 HIS 30 HD HIS 30 2.094 9.306 -5.287 215 HE1 HIS 30 HE HIS 30 4.792 9.563 -2.065 216 H GLU 31 H GLU 31 -1.788 12.820 -1.747 217 HA GLU 31 HA GLU 31 -3.544 13.975 -3.675 218 1HB GLU 31 1HB GLU 31 -2.992 15.285 -0.963 219 2HB GLU 31 2HB GLU 31 -4.476 15.225 -1.915 220 1HG GLU 31 1HG GLU 31 -4.348 12.688 -1.586 221 2HG GLU 31 2HG GLU 31 -3.173 12.999 -0.299 222 H GLY 32 H GLY 32 -0.886 15.261 -1.847 223 1HA GLY 32 1HA GLY 32 -0.437 17.551 -3.743 224 2HA GLY 32 2HA GLY 32 -0.013 17.539 -2.024 225 H THR 33 H THR 33 2.141 17.913 -2.407 226 HA THR 33 HA THR 33 3.610 16.720 -4.477 227 HB THR 33 HB THR 33 4.185 18.868 -3.605 228 HG1 THR 33 HG1 THR 33 5.860 17.729 -4.557 229 1HG2 THR 33 1HG2 THR 33 5.165 17.517 -1.055 230 2HG2 THR 33 2HG2 THR 33 5.325 19.225 -1.488 231 3HG2 THR 33 3HG2 THR 33 3.721 18.545 -1.175 232 HA PRO 34 HA PRO 34 4.730 12.837 -2.389 233 1HB PRO 34 1HB PRO 34 6.255 11.727 -4.262 234 2HB PRO 34 2HB PRO 34 4.488 11.858 -4.466 235 1HG PRO 34 1HG PRO 34 6.581 13.614 -5.677 236 2HG PRO 34 2HG PRO 34 5.091 12.919 -6.405 237 1HD PRO 34 1HD PRO 34 5.268 15.500 -5.436 238 2HD PRO 34 2HD PRO 34 3.742 14.558 -5.445 239 H ALA 35 H ALA 35 6.284 12.682 -0.813 240 HA ALA 35 HA ALA 35 9.114 13.146 -1.460 241 1HB ALA 35 1HB ALA 35 7.665 14.729 0.710 242 2HB ALA 35 2HB ALA 35 9.422 14.715 0.423 243 3HB ALA 35 3HB ALA 35 8.328 15.395 -0.800 244 H LYS 36 H LYS 36 8.188 10.769 -1.208 245 HA LYS 36 HA LYS 36 7.860 8.871 -0.147 246 1HB LYS 36 1HB LYS 36 9.485 9.988 2.163 247 2HB LYS 36 2HB LYS 36 9.010 8.312 1.919 248 1HG LYS 36 1HG LYS 36 10.224 8.468 -0.381 249 2HG LYS 36 2HG LYS 36 10.891 9.995 0.210 250 1HD LYS 36 1HD LYS 36 12.552 8.435 0.759 251 2HD LYS 36 2HD LYS 36 11.646 8.583 2.272 252 1HE LYS 36 1HE LYS 36 11.721 6.266 2.070 253 2HE LYS 36 2HE LYS 36 10.211 6.557 1.239 254 1HZ LYS 36 1HZ LYS 36 11.811 6.725 -0.808 255 2HZ LYS 36 2HZ LYS 36 12.770 5.783 0.078 256 3HZ LYS 36 3HZ LYS 36 11.234 5.302 -0.332 257 H ILE 37 H ILE 37 6.711 7.755 1.539 258 HA ILE 37 HA ILE 37 4.881 9.521 3.124 259 HB ILE 37 HB ILE 37 4.018 6.832 2.047 260 1HG1 ILE 37 1HG1 ILE 37 3.673 9.554 0.756 261 2HG1 ILE 37 2HG1 ILE 37 4.470 8.110 0.106 262 1HG2 ILE 37 1HG2 ILE 37 2.854 7.812 4.047 263 2HG2 ILE 37 2HG2 ILE 37 2.451 9.240 3.073 264 3HG2 ILE 37 3HG2 ILE 37 1.788 7.648 2.652 265 1HD1 ILE 37 1HD1 ILE 37 2.337 8.268 -0.976 266 2HD1 ILE 37 2HD1 ILE 37 2.209 6.938 0.189 267 3HD1 ILE 37 3HD1 ILE 37 1.489 8.523 0.552 268 H ALA 38 H ALA 38 6.201 6.331 2.774 269 HA ALA 38 HA ALA 38 7.252 4.863 4.156 270 1HB ALA 38 1HB ALA 38 7.181 6.974 6.339 271 2HB ALA 38 2HB ALA 38 8.164 5.502 6.273 272 3HB ALA 38 3HB ALA 38 8.429 6.802 5.083 273 H ILE 39 H ILE 39 5.328 3.671 3.796 274 HA ILE 39 HA ILE 39 3.177 3.936 5.828 275 HB ILE 39 HB ILE 39 3.331 2.606 3.138 276 1HG1 ILE 39 1HG1 ILE 39 3.027 5.049 3.145 277 2HG1 ILE 39 2HG1 ILE 39 1.596 4.179 2.632 278 1HG2 ILE 39 1HG2 ILE 39 0.817 2.201 3.591 279 2HG2 ILE 39 2HG2 ILE 39 1.976 1.082 4.302 280 3HG2 ILE 39 3HG2 ILE 39 1.237 2.348 5.311 281 1HD1 ILE 39 1HD1 ILE 39 0.621 4.517 4.963 282 2HD1 ILE 39 2HD1 ILE 39 1.965 5.647 5.255 283 3HD1 ILE 39 3HD1 ILE 39 0.805 5.956 3.963 284 H ASP 40 H ASP 40 4.177 3.303 7.475 285 HA ASP 40 HA ASP 40 5.451 0.632 7.760 286 1HB ASP 40 1HB ASP 40 4.686 2.542 10.001 287 2HB ASP 40 2HB ASP 40 5.843 1.213 10.059 288 H LYS 41 H LYS 41 4.503 -0.933 9.311 289 HA LYS 41 HA LYS 41 1.937 -1.756 9.094 290 1HB LYS 41 1HB LYS 41 2.188 -2.481 11.566 291 2HB LYS 41 2HB LYS 41 3.160 -3.194 10.308 292 1HG LYS 41 1HG LYS 41 5.117 -2.452 11.115 293 2HG LYS 41 2HG LYS 41 4.489 -0.891 11.642 294 1HD LYS 41 1HD LYS 41 3.462 -1.835 13.587 295 2HD LYS 41 2HD LYS 41 3.819 -3.493 13.090 296 1HE LYS 41 1HE LYS 41 6.074 -1.473 13.454 297 2HE LYS 41 2HE LYS 41 5.350 -2.255 14.866 298 1HZ LYS 41 1HZ LYS 41 6.576 -3.829 12.636 299 2HZ LYS 41 2HZ LYS 41 7.299 -3.440 14.032 300 3HZ LYS 41 3HZ LYS 41 5.971 -4.386 13.995 301 H LYS 42 H LYS 42 3.026 0.586 11.393 302 HA LYS 42 HA LYS 42 0.803 1.075 12.918 303 1HB LYS 42 1HB LYS 42 3.377 2.107 12.607 304 2HB LYS 42 2HB LYS 42 2.425 3.500 12.120 305 1HG LYS 42 1HG LYS 42 1.420 3.665 14.259 306 2HG LYS 42 2HG LYS 42 1.873 1.994 14.693 307 1HD LYS 42 1HD LYS 42 4.279 2.594 14.677 308 2HD LYS 42 2HD LYS 42 3.889 4.228 14.153 309 1HE LYS 42 1HE LYS 42 4.452 4.168 16.535 310 2HE LYS 42 2HE LYS 42 2.791 4.723 16.285 311 1HZ LYS 42 1HZ LYS 42 2.026 2.543 16.903 312 2HZ LYS 42 2HZ LYS 42 3.568 1.983 17.068 313 3HZ LYS 42 3HZ LYS 42 2.995 3.138 18.087 314 H SER 43 H SER 43 1.510 2.496 9.742 315 HA SER 43 HA SER 43 -1.102 3.898 9.668 316 1HB SER 43 1HB SER 43 1.199 3.833 7.675 317 2HB SER 43 2HB SER 43 -0.245 4.856 7.608 318 HG SER 43 HG SER 43 0.445 5.709 9.674 319 H ALA 44 H ALA 44 0.828 1.615 7.793 320 HA ALA 44 HA ALA 44 -0.675 0.843 5.716 321 1HB ALA 44 1HB ALA 44 0.648 -1.001 5.588 322 2HB ALA 44 2HB ALA 44 1.682 0.186 6.395 323 3HB ALA 44 3HB ALA 44 0.926 -1.130 7.320 324 H HIS 45 H HIS 45 -0.860 -0.739 8.943 325 HA HIS 45 HA HIS 45 -3.046 -2.493 7.989 326 1HB HIS 45 1HB HIS 45 -1.105 -2.499 10.261 327 2HB HIS 45 2HB HIS 45 -2.715 -3.085 10.630 328 HD1 HIS 45 HND HIS 45 -3.555 -5.294 9.434 329 HD2 HIS 45 HD HIS 45 0.388 -4.100 8.608 330 HE1 HIS 45 HE HIS 45 -2.399 -7.280 8.316 331 H LYS 46 H LYS 46 -2.861 0.648 9.226 332 HA LYS 46 HA LYS 46 -5.314 0.399 10.878 333 1HB LYS 46 1HB LYS 46 -3.439 1.483 11.899 334 2HB LYS 46 2HB LYS 46 -3.256 2.620 10.568 335 1HG LYS 46 1HG LYS 46 -5.955 2.535 11.855 336 2HG LYS 46 2HG LYS 46 -4.633 3.110 12.882 337 1HD LYS 46 1HD LYS 46 -3.984 4.828 11.345 338 2HD LYS 46 2HD LYS 46 -5.081 4.261 10.098 339 1HE LYS 46 1HE LYS 46 -5.940 5.410 12.793 340 2HE LYS 46 2HE LYS 46 -5.907 6.288 11.256 341 1HZ LYS 46 1HZ LYS 46 -7.613 3.942 11.810 342 2HZ LYS 46 2HZ LYS 46 -8.109 5.503 11.679 343 3HZ LYS 46 3HZ LYS 46 -7.537 4.702 10.384 344 H ASP 47 H ASP 47 -4.005 2.626 8.364 345 HA ASP 47 HA ASP 47 -6.281 2.319 6.677 346 1HB ASP 47 1HB ASP 47 -6.143 4.900 8.275 347 2HB ASP 47 2HB ASP 47 -6.729 4.875 6.631 348 H ALA 48 H ALA 48 -4.406 1.626 5.549 349 HA ALA 48 HA ALA 48 -3.936 3.714 3.625 350 1HB ALA 48 1HB ALA 48 -1.417 3.240 3.443 351 2HB ALA 48 2HB ALA 48 -1.964 4.306 4.746 352 3HB ALA 48 3HB ALA 48 -1.524 2.647 5.120 353 H CYS 49 H CYS 49 -2.223 0.572 4.201 354 HA CYS 49 HA CYS 49 -3.069 -0.276 1.547 355 1HB CYS 49 1HB CYS 49 -1.792 -1.998 3.600 356 2HB CYS 49 2HB CYS 49 -1.728 -2.178 1.858 357 H LYS 50 H LYS 50 -3.720 -1.467 4.955 358 HA LYS 50 HA LYS 50 -5.911 -3.157 3.924 359 1HB LYS 50 1HB LYS 50 -4.384 -3.838 5.808 360 2HB LYS 50 2HB LYS 50 -5.133 -2.572 6.776 361 1HG LYS 50 1HG LYS 50 -6.175 -4.489 7.475 362 2HG LYS 50 2HG LYS 50 -7.379 -3.784 6.413 363 1HD LYS 50 1HD LYS 50 -6.759 -5.427 4.632 364 2HD LYS 50 2HD LYS 50 -5.492 -6.079 5.698 365 1HE LYS 50 1HE LYS 50 -7.312 -6.575 7.416 366 2HE LYS 50 2HE LYS 50 -8.518 -6.112 6.212 367 1HZ LYS 50 1HZ LYS 50 -6.618 -8.374 5.892 368 2HZ LYS 50 2HZ LYS 50 -8.150 -8.514 6.415 369 3HZ LYS 50 3HZ LYS 50 -7.893 -8.041 4.902 370 H THR 51 H THR 51 -6.579 -0.817 2.984 371 HA THR 51 HA THR 51 -9.121 -0.477 4.187 372 HB THR 51 HB THR 51 -7.736 1.120 5.571 373 HG1 THR 51 HG1 THR 51 -9.304 2.559 5.665 374 1HG2 THR 51 1HG2 THR 51 -7.296 3.351 4.693 375 2HG2 THR 51 2HG2 THR 51 -6.393 2.166 3.740 376 3HG2 THR 51 3HG2 THR 51 -7.879 2.904 3.093 377 H CYS 52 H CYS 52 -6.783 1.000 1.824 378 HA CYS 52 HA CYS 52 -8.712 1.765 -0.072 379 1HB CYS 52 1HB CYS 52 -5.824 1.234 -0.013 380 2HB CYS 52 2HB CYS 52 -6.581 0.717 -1.514 381 H HIS 53 H HIS 53 -7.105 -1.417 0.295 382 HA HIS 53 HA HIS 53 -8.771 -2.589 -1.799 383 1HB HIS 53 1HB HIS 53 -7.291 -4.310 0.131 384 2HB HIS 53 2HB HIS 53 -7.597 -4.529 -1.579 385 HD1 HIS 53 HND HIS 53 -5.244 -2.763 0.856 386 HD2 HIS 53 HD HIS 53 -5.767 -3.113 -3.305 387 HE1 HIS 53 HE HIS 53 -3.141 -1.988 -0.219 388 H LYS 54 H LYS 54 -10.614 -1.478 -0.571 389 HA LYS 54 HA LYS 54 -12.078 -3.598 0.976 390 1HB LYS 54 1HB LYS 54 -12.386 -0.595 0.829 391 2HB LYS 54 2HB LYS 54 -13.760 -1.638 1.253 392 1HG LYS 54 1HG LYS 54 -12.695 -2.512 3.177 393 2HG LYS 54 2HG LYS 54 -11.106 -1.892 2.691 394 1HD LYS 54 1HD LYS 54 -11.823 0.399 2.990 395 2HD LYS 54 2HD LYS 54 -13.487 -0.099 3.328 396 1HE LYS 54 1HE LYS 54 -12.909 -0.988 5.461 397 2HE LYS 54 2HE LYS 54 -11.190 -1.098 5.058 398 1HZ LYS 54 1HZ LYS 54 -12.616 1.454 5.432 399 2HZ LYS 54 2HZ LYS 54 -11.634 0.733 6.541 400 3HZ LYS 54 3HZ LYS 54 -11.009 1.255 5.131 401 H SER 55 H SER 55 -13.372 -1.006 -1.051 402 HA SER 55 HA SER 55 -15.252 -2.572 -2.350 403 1HB SER 55 1HB SER 55 -15.172 -0.053 -2.240 404 2HB SER 55 2HB SER 55 -13.946 -0.079 -3.530 405 HG SER 55 HG SER 55 -16.060 0.178 -4.364 406 H ASN 56 H ASN 56 -11.982 -1.751 -3.456 407 HA ASN 56 HA ASN 56 -11.953 -2.828 -6.033 408 1HB ASN 56 1HB ASN 56 -9.745 -2.867 -3.921 409 2HB ASN 56 2HB ASN 56 -9.516 -3.143 -5.650 410 1HD2 ASN 56 1HD2 ASN 56 -9.603 -0.614 -3.189 411 2HD2 ASN 56 2HD2 ASN 56 -9.671 0.678 -4.354 412 H ASN 57 H ASN 57 -11.580 -4.450 -2.935 413 HA ASN 57 HA ASN 57 -12.474 -6.872 -3.012 414 1HB ASN 57 1HB ASN 57 -10.103 -6.933 -4.879 415 2HB ASN 57 2HB ASN 57 -10.025 -8.070 -3.553 416 1HD2 ASN 57 1HD2 ASN 57 -12.198 -7.056 -6.194 417 2HD2 ASN 57 2HD2 ASN 57 -12.965 -8.641 -6.362 418 H GLY 58 H GLY 58 -11.571 -8.096 -1.157 419 1HA GLY 58 1HA GLY 58 -9.645 -6.478 0.450 420 2HA GLY 58 2HA GLY 58 -11.187 -7.021 1.089 421 HA PRO 59 HA PRO 59 -8.110 -10.781 1.060 422 1HB PRO 59 1HB PRO 59 -5.930 -10.187 2.581 423 2HB PRO 59 2HB PRO 59 -5.953 -9.953 0.811 424 1HG PRO 59 1HG PRO 59 -6.379 -7.863 2.951 425 2HG PRO 59 2HG PRO 59 -5.384 -7.749 1.467 426 1HD PRO 59 1HD PRO 59 -7.903 -6.727 1.684 427 2HD PRO 59 2HD PRO 59 -7.261 -7.341 0.130 428 H THR 60 H THR 60 -8.677 -12.154 2.677 429 HA THR 60 HA THR 60 -10.557 -11.074 4.613 430 HB THR 60 HB THR 60 -10.768 -13.676 4.879 431 HG1 THR 60 HG1 THR 60 -9.783 -14.601 2.816 432 1HG2 THR 60 1HG2 THR 60 -11.163 -12.446 2.102 433 2HG2 THR 60 2HG2 THR 60 -11.933 -13.929 2.705 434 3HG2 THR 60 3HG2 THR 60 -12.317 -12.368 3.450 435 H LYS 61 H LYS 61 -8.027 -13.451 4.627 436 HA LYS 61 HA LYS 61 -7.019 -12.674 7.335 437 1HB LYS 61 1HB LYS 61 -6.270 -15.015 5.519 438 2HB LYS 61 2HB LYS 61 -5.620 -14.704 7.138 439 1HG LYS 61 1HG LYS 61 -8.517 -15.330 6.403 440 2HG LYS 61 2HG LYS 61 -7.323 -16.455 7.058 441 1HD LYS 61 1HD LYS 61 -7.151 -14.897 9.113 442 2HD LYS 61 2HD LYS 61 -8.520 -14.009 8.436 443 1HE LYS 61 1HE LYS 61 -9.416 -15.497 10.066 444 2HE LYS 61 2HE LYS 61 -9.899 -16.104 8.478 445 1HZ LYS 61 1HZ LYS 61 -8.130 -17.739 8.654 446 2HZ LYS 61 2HZ LYS 61 -7.669 -17.141 10.118 447 3HZ LYS 61 3HZ LYS 61 -9.141 -17.847 9.941 448 H CYS 62 H CYS 62 -4.895 -13.868 4.831 449 HA CYS 62 HA CYS 62 -3.458 -11.306 4.876 450 1HB CYS 62 1HB CYS 62 -2.100 -13.969 5.292 451 2HB CYS 62 2HB CYS 62 -1.431 -12.355 5.586 452 H GLY 63 H GLY 63 -1.118 -12.581 3.589 453 1HA GLY 63 1HA GLY 63 -0.442 -13.599 1.630 454 2HA GLY 63 2HA GLY 63 -2.126 -13.862 1.159 455 H GLY 64 H GLY 64 -3.151 -11.346 1.195 456 1HA GLY 64 1HA GLY 64 -2.939 -10.198 -1.176 457 2HA GLY 64 2HA GLY 64 -3.148 -9.211 0.280 458 H CYS 65 H CYS 65 -0.718 -9.236 1.445 459 HA CYS 65 HA CYS 65 0.849 -7.546 -0.472 460 1HB CYS 65 1HB CYS 65 0.403 -7.153 2.453 461 2HB CYS 65 2HB CYS 65 1.003 -5.957 1.297 462 H HIS 66 H HIS 66 1.100 -9.602 2.438 463 HA HIS 66 HA HIS 66 4.052 -9.654 2.334 464 1HB HIS 66 1HB HIS 66 2.099 -11.357 3.928 465 2HB HIS 66 2HB HIS 66 3.840 -11.276 4.128 466 HD1 HIS 66 HND HIS 66 4.814 -8.983 5.280 467 HD2 HIS 66 HD HIS 66 0.620 -9.452 5.172 468 HE1 HIS 66 HE HIS 66 3.788 -7.343 6.960 469 H ILE 67 H ILE 67 5.040 -11.084 0.881 470 HA ILE 67 HA ILE 67 3.492 -13.444 -0.063 471 HB ILE 67 HB ILE 67 6.306 -12.648 -0.866 472 1HG1 ILE 67 1HG1 ILE 67 4.892 -12.059 -3.044 473 2HG1 ILE 67 2HG1 ILE 67 3.574 -11.798 -1.903 474 1HG2 ILE 67 1HG2 ILE 67 4.191 -14.446 -2.136 475 2HG2 ILE 67 2HG2 ILE 67 5.803 -14.100 -2.801 476 3HG2 ILE 67 3HG2 ILE 67 5.643 -15.039 -1.325 477 1HD1 ILE 67 1HD1 ILE 67 6.312 -10.431 -1.843 478 2HD1 ILE 67 2HD1 ILE 67 4.837 -9.768 -2.574 479 3HD1 ILE 67 3HD1 ILE 67 4.918 -9.990 -0.827 480 H LYS 68 H LYS 68 3.606 -13.598 2.574 481 HA LYS 68 HA LYS 68 4.333 -16.079 3.137 482 1HB LYS 68 1HB LYS 68 6.836 -15.240 3.055 483 2HB LYS 68 2HB LYS 68 6.417 -14.295 4.467 484 1HG LYS 68 1HG LYS 68 5.495 -17.026 4.828 485 2HG LYS 68 2HG LYS 68 7.092 -17.123 4.126 486 1HD LYS 68 1HD LYS 68 8.155 -16.342 5.984 487 2HD LYS 68 2HD LYS 68 6.901 -15.163 6.369 488 1HE LYS 68 1HE LYS 68 6.483 -18.148 6.761 489 2HE LYS 68 2HE LYS 68 7.119 -17.090 8.032 490 1HZ LYS 68 1HZ LYS 68 4.626 -17.424 7.996 491 2HZ LYS 68 2HZ LYS 68 5.160 -15.861 8.062 492 3HZ LYS 68 3HZ LYS 68 4.595 -16.434 6.667 493 HHA HEC 69 HCM HEC 69 8.297 7.605 -1.857 494 HHB HEC 69 HDM HEC 69 6.536 10.702 -7.102 495 HHC HEC 69 HAM HEC 69 1.231 7.135 -7.421 496 HHD HEC 69 HBM HEC 69 2.575 4.869 -1.630 497 1HMA HEC 69 HM81 HEC 69 9.596 10.629 -6.462 498 2HMA HEC 69 HM82 HEC 69 8.236 11.767 -6.321 499 3HMA HEC 69 HM83 HEC 69 9.428 11.693 -5.051 500 1HAA HEC 69 HP71 HEC 69 10.275 10.444 -3.498 501 2HAA HEC 69 HP72 HEC 69 9.605 9.567 -2.153 502 1HBA HEC 69 HP73 HEC 69 10.368 7.437 -3.201 503 2HBA HEC 69 HP74 HEC 69 11.071 8.372 -4.532 504 1HMB HEC 69 HM11 HEC 69 5.663 11.185 -8.955 505 2HMB HEC 69 HM12 HEC 69 4.699 10.358 -10.163 506 3HMB HEC 69 HM13 HEC 69 3.950 11.580 -9.102 507 HAB HEC 69 HT2A HEC 69 1.160 8.547 -8.980 508 1HBB HEC 69 HT21 HEC 69 1.148 9.563 -11.049 509 2HBB HEC 69 HT22 HEC 69 2.454 10.677 -10.655 510 3HBB HEC 69 HT23 HEC 69 2.800 8.951 -10.938 511 1HMC HEC 69 HM31 HEC 69 -0.841 6.551 -6.192 512 2HMC HEC 69 HM32 HEC 69 -0.121 5.090 -6.907 513 3HMC HEC 69 HM33 HEC 69 -1.125 4.973 -5.461 514 HAC HEC 69 HT4A HEC 69 0.512 4.676 -1.916 515 1HBC HEC 69 HT41 HEC 69 -0.843 2.783 -2.553 516 2HBC HEC 69 HT42 HEC 69 -0.648 3.162 -4.268 517 3HBC HEC 69 HT43 HEC 69 0.749 2.644 -3.318 518 1HMD HEC 69 HM51 HEC 69 4.514 3.649 -0.050 519 2HMD HEC 69 HM52 HEC 69 5.067 4.783 1.188 520 3HMD HEC 69 HM53 HEC 69 3.446 4.941 0.519 521 1HAD HEC 69 HP61 HEC 69 8.270 6.450 -0.106 522 2HAD HEC 69 HP62 HEC 69 7.135 5.779 1.019 523 1HBD HEC 69 HP63 HEC 69 8.530 3.990 0.522 524 2HBD HEC 69 HP64 HEC 69 7.128 3.692 -0.509 525 HHA HEC 70 HCM HEC 70 -3.867 -4.831 -6.411 526 HHB HEC 70 HDM HEC 70 0.363 -4.414 -1.635 527 HHC HEC 70 HAM HEC 70 -1.918 1.332 -0.138 528 HHD HEC 70 HBM HEC 70 -6.088 0.959 -4.905 529 1HMA HEC 70 HM81 HEC 70 1.067 -6.199 -4.132 530 2HMA HEC 70 HM82 HEC 70 0.478 -6.448 -2.473 531 3HMA HEC 70 HM83 HEC 70 -0.139 -7.459 -3.770 532 1HAA HEC 70 HP71 HEC 70 -2.256 -6.391 -6.740 533 2HAA HEC 70 HP72 HEC 70 -1.119 -7.322 -5.799 534 1HBA HEC 70 HP73 HEC 70 -2.914 -8.044 -4.267 535 2HBA HEC 70 HP74 HEC 70 -4.080 -7.068 -5.172 536 1HMB HEC 70 HM11 HEC 70 1.606 -3.661 0.022 537 2HMB HEC 70 HM12 HEC 70 1.579 -2.401 1.265 538 3HMB HEC 70 HM13 HEC 70 0.271 -3.585 1.175 539 HAB HEC 70 HT2A HEC 70 -0.310 1.042 1.067 540 1HBB HEC 70 HT21 HEC 70 2.350 -0.380 1.127 541 2HBB HEC 70 HT22 HEC 70 1.882 0.877 -0.023 542 3HBB HEC 70 HT23 HEC 70 1.942 1.234 1.704 543 1HMC HEC 70 HM31 HEC 70 -3.929 3.063 0.089 544 2HMC HEC 70 HM32 HEC 70 -2.516 3.539 -0.888 545 3HMC HEC 70 HM33 HEC 70 -4.110 4.180 -1.273 546 HAC HEC 70 HT4A HEC 70 -6.843 2.245 -3.398 547 1HBC HEC 70 HT41 HEC 70 -6.886 4.662 -3.656 548 2HBC HEC 70 HT42 HEC 70 -5.178 4.771 -3.178 549 3HBC HEC 70 HT43 HEC 70 -5.645 3.890 -4.657 550 1HMD HEC 70 HM51 HEC 70 -7.169 0.355 -6.628 551 2HMD HEC 70 HM52 HEC 70 -6.510 -0.409 -8.082 552 3HMD HEC 70 HM53 HEC 70 -7.807 -1.200 -7.174 553 1HAD HEC 70 HP61 HEC 70 -6.137 -4.491 -7.362 554 2HAD HEC 70 HP62 HEC 70 -6.813 -3.064 -8.139 555 1HBD HEC 70 HP63 HEC 70 -4.358 -2.654 -8.959 556 2HBD HEC 70 HP64 HEC 70 -4.146 -4.375 -8.629 557 HHA HEC 71 HCM HEC 71 4.043 -4.661 8.851 558 HHB HEC 71 HDM HEC 71 1.056 -9.946 10.845 559 HHC HEC 71 HAM HEC 71 -2.735 -9.637 5.716 560 HHD HEC 71 HBM HEC 71 0.327 -4.508 3.724 561 1HMA HEC 71 HM81 HEC 71 2.293 -8.614 12.873 562 2HMA HEC 71 HM82 HEC 71 3.207 -9.737 11.834 563 3HMA HEC 71 HM83 HEC 71 4.027 -8.370 12.582 564 1HAA HEC 71 HP71 HEC 71 4.696 -5.064 10.921 565 2HAA HEC 71 HP72 HEC 71 4.607 -6.248 12.210 566 1HBA HEC 71 HP73 HEC 71 5.837 -7.878 10.798 567 2HBA HEC 71 HP74 HEC 71 5.903 -6.680 9.496 568 1HMB HEC 71 HM11 HEC 71 0.272 -12.107 10.308 569 2HMB HEC 71 HM12 HEC 71 -1.216 -11.495 11.064 570 3HMB HEC 71 HM13 HEC 71 -1.294 -12.719 9.773 571 HAB HEC 71 HT2A HEC 71 -3.629 -10.931 7.132 572 1HBB HEC 71 HT21 HEC 71 -4.885 -11.812 8.909 573 2HBB HEC 71 HT22 HEC 71 -3.471 -11.918 9.968 574 3HBB HEC 71 HT23 HEC 71 -4.077 -10.330 9.446 575 1HMC HEC 71 HM31 HEC 71 -4.185 -8.264 3.930 576 2HMC HEC 71 HM32 HEC 71 -3.262 -8.033 2.414 577 3HMC HEC 71 HM33 HEC 71 -2.925 -9.416 3.437 578 HAC HEC 71 HT4A HEC 71 -1.449 -4.556 2.692 579 1HBC HEC 71 HT41 HEC 71 -4.069 -5.986 2.330 580 2HBC HEC 71 HT42 HEC 71 -3.752 -4.632 3.432 581 3HBC HEC 71 HT43 HEC 71 -3.560 -4.429 1.679 582 1HMD HEC 71 HM51 HEC 71 1.118 -2.417 4.209 583 2HMD HEC 71 HM52 HEC 71 2.796 -1.878 4.461 584 3HMD HEC 71 HM53 HEC 71 2.372 -3.202 3.343 585 1HAD HEC 71 HP61 HEC 71 4.010 -1.838 6.319 586 2HAD HEC 71 HP62 HEC 71 3.789 -2.513 7.919 587 1HBD HEC 71 HP63 HEC 71 5.539 -4.317 7.164 588 2HBD HEC 71 HP64 HEC 71 5.931 -3.144 5.909 Start of MODEL 32 1 1H ALA 1 1H ALA 1 10.570 4.556 -7.432 2 2H ALA 1 2H ALA 1 12.074 4.966 -8.009 3 3H ALA 1 3H ALA 1 10.754 4.972 -9.010 4 HA ALA 1 HA ALA 1 11.973 3.027 -9.481 5 1HB ALA 1 1HB ALA 1 13.187 2.834 -7.349 6 2HB ALA 1 2HB ALA 1 11.674 2.459 -6.494 7 3HB ALA 1 3HB ALA 1 12.314 1.331 -7.702 8 H ASP 2 H ASP 2 10.423 1.958 -10.694 9 HA ASP 2 HA ASP 2 7.832 2.137 -10.455 10 1HB ASP 2 1HB ASP 2 9.558 -0.123 -11.595 11 2HB ASP 2 2HB ASP 2 7.889 0.161 -12.059 12 H VAL 3 H VAL 3 9.816 -0.435 -9.037 13 HA VAL 3 HA VAL 3 7.591 -1.264 -7.352 14 HB VAL 3 HB VAL 3 7.343 -2.826 -9.125 15 1HG1 VAL 3 1HG1 VAL 3 9.418 -2.522 -10.367 16 2HG1 VAL 3 2HG1 VAL 3 10.354 -3.284 -9.061 17 3HG1 VAL 3 3HG1 VAL 3 9.188 -4.233 -10.003 18 1HG2 VAL 3 1HG2 VAL 3 7.811 -4.970 -8.113 19 2HG2 VAL 3 2HG2 VAL 3 9.034 -4.267 -7.042 20 3HG2 VAL 3 3HG2 VAL 3 7.318 -3.836 -6.850 21 H VAL 4 H VAL 4 8.345 -2.085 -5.312 22 HA VAL 4 HA VAL 4 11.129 -2.543 -4.843 23 HB VAL 4 HB VAL 4 11.024 -0.017 -4.846 24 1HG1 VAL 4 1HG1 VAL 4 9.244 -0.393 -2.389 25 2HG1 VAL 4 2HG1 VAL 4 10.009 1.128 -2.888 26 3HG1 VAL 4 3HG1 VAL 4 8.805 0.386 -3.942 27 1HG2 VAL 4 1HG2 VAL 4 12.428 0.322 -3.023 28 2HG2 VAL 4 2HG2 VAL 4 11.653 -0.901 -2.022 29 3HG2 VAL 4 3HG2 VAL 4 12.664 -1.393 -3.406 30 H THR 5 H THR 5 11.237 -2.775 -2.169 31 HA THR 5 HA THR 5 8.664 -2.958 -0.955 32 HB THR 5 HB THR 5 8.864 -5.279 -2.003 33 HG1 THR 5 HG1 THR 5 8.200 -4.954 0.172 34 1HG2 THR 5 1HG2 THR 5 11.542 -5.539 -0.572 35 2HG2 THR 5 2HG2 THR 5 10.685 -6.825 -1.437 36 3HG2 THR 5 3HG2 THR 5 11.307 -5.433 -2.333 37 H TYR 6 H TYR 6 8.669 -3.216 1.126 38 HA TYR 6 HA TYR 6 11.149 -2.346 2.553 39 1HB TYR 6 1HB TYR 6 8.188 -1.850 3.030 40 2HB TYR 6 2HB TYR 6 9.431 -1.595 4.246 41 HD1 TYR 6 HD1 TYR 6 9.461 -0.727 0.508 42 HD2 TYR 6 HD2 TYR 6 9.219 0.786 4.530 43 HE1 TYR 6 HE1 TYR 6 10.015 1.443 -0.319 44 HE2 TYR 6 HE2 TYR 6 9.534 3.072 3.615 45 HH TYR 6 HH TYR 6 10.280 4.328 1.775 46 H GLU 7 H GLU 7 12.022 -4.370 2.942 47 HA GLU 7 HA GLU 7 10.530 -6.655 3.679 48 1HB GLU 7 1HB GLU 7 12.584 -7.692 4.221 49 2HB GLU 7 2HB GLU 7 12.864 -6.644 2.840 50 1HG GLU 7 1HG GLU 7 14.732 -6.202 4.125 51 2HG GLU 7 2HG GLU 7 13.676 -4.885 4.649 52 H ASN 8 H ASN 8 10.012 -7.551 5.705 53 HA ASN 8 HA ASN 8 10.151 -5.839 8.089 54 1HB ASN 8 1HB ASN 8 7.648 -5.879 8.285 55 2HB ASN 8 2HB ASN 8 8.267 -4.865 6.970 56 1HD2 ASN 8 1HD2 ASN 8 8.068 -5.590 4.769 57 2HD2 ASN 8 2HD2 ASN 8 6.851 -6.780 4.344 58 H LYS 9 H LYS 9 9.271 -6.985 9.965 59 HA LYS 9 HA LYS 9 10.525 -9.477 10.051 60 1HB LYS 9 1HB LYS 9 9.978 -7.823 11.929 61 2HB LYS 9 2HB LYS 9 8.389 -8.559 12.007 62 1HG LYS 9 1HG LYS 9 9.116 -10.362 13.107 63 2HG LYS 9 2HG LYS 9 10.486 -10.636 12.047 64 1HD LYS 9 1HD LYS 9 10.297 -8.651 14.358 65 2HD LYS 9 2HD LYS 9 11.173 -10.181 14.385 66 1HE LYS 9 1HE LYS 9 11.906 -7.607 12.912 67 2HE LYS 9 2HE LYS 9 12.823 -8.477 14.132 68 1HZ LYS 9 1HZ LYS 9 13.719 -8.811 11.951 69 2HZ LYS 9 2HZ LYS 9 13.151 -10.247 12.519 70 3HZ LYS 9 3HZ LYS 9 12.301 -9.402 11.385 71 H LYS 10 H LYS 10 7.083 -8.727 9.847 72 HA LYS 10 HA LYS 10 5.970 -11.312 9.617 73 1HB LYS 10 1HB LYS 10 4.477 -9.589 9.883 74 2HB LYS 10 2HB LYS 10 5.281 -8.551 8.718 75 1HG LYS 10 1HG LYS 10 3.225 -8.951 7.920 76 2HG LYS 10 2HG LYS 10 4.294 -9.846 6.857 77 1HD LYS 10 1HD LYS 10 2.519 -11.023 9.061 78 2HD LYS 10 2HD LYS 10 2.076 -10.853 7.357 79 1HE LYS 10 1HE LYS 10 4.253 -12.270 6.899 80 2HE LYS 10 2HE LYS 10 4.094 -12.712 8.614 81 1HZ LYS 10 1HZ LYS 10 1.776 -13.450 7.962 82 2HZ LYS 10 2HZ LYS 10 2.209 -13.246 6.380 83 3HZ LYS 10 3HZ LYS 10 2.991 -14.314 7.269 84 H GLY 11 H GLY 11 6.894 -9.198 6.779 85 1HA GLY 11 1HA GLY 11 8.264 -11.384 5.480 86 2HA GLY 11 2HA GLY 11 6.644 -11.130 4.799 87 H ASN 12 H ASN 12 6.823 -9.983 2.897 88 HA ASN 12 HA ASN 12 8.624 -7.590 2.779 89 1HB ASN 12 1HB ASN 12 8.261 -9.721 0.650 90 2HB ASN 12 2HB ASN 12 9.031 -8.164 0.401 91 1HD2 ASN 12 1HD2 ASN 12 10.184 -8.913 3.452 92 2HD2 ASN 12 2HD2 ASN 12 11.641 -9.720 2.913 93 H VAL 13 H VAL 13 7.401 -5.909 2.363 94 HA VAL 13 HA VAL 13 4.578 -6.186 1.505 95 HB VAL 13 HB VAL 13 6.342 -3.930 2.519 96 1HG1 VAL 13 1HG1 VAL 13 4.440 -2.416 2.372 97 2HG1 VAL 13 2HG1 VAL 13 4.847 -2.931 0.766 98 3HG1 VAL 13 3HG1 VAL 13 3.463 -3.678 1.558 99 1HG2 VAL 13 1HG2 VAL 13 3.681 -4.962 3.580 100 2HG2 VAL 13 2HG2 VAL 13 5.209 -5.657 4.085 101 3HG2 VAL 13 3HG2 VAL 13 4.902 -3.949 4.404 102 H THR 14 H THR 14 4.421 -6.527 -0.722 103 HA THR 14 HA THR 14 6.425 -5.462 -2.516 104 HB THR 14 HB THR 14 3.639 -6.537 -3.129 105 HG1 THR 14 HG1 THR 14 4.865 -7.999 -1.995 106 1HG2 THR 14 1HG2 THR 14 6.135 -6.278 -4.872 107 2HG2 THR 14 2HG2 THR 14 4.628 -7.106 -5.322 108 3HG2 THR 14 3HG2 THR 14 4.623 -5.357 -5.071 109 H PHE 15 H PHE 15 6.672 -3.300 -2.927 110 HA PHE 15 HA PHE 15 4.309 -1.481 -3.007 111 1HB PHE 15 1HB PHE 15 7.271 -1.115 -3.437 112 2HB PHE 15 2HB PHE 15 6.093 0.077 -3.947 113 HD1 PHE 15 HD1 PHE 15 6.111 -1.892 -0.747 114 HD2 PHE 15 HD2 PHE 15 6.718 1.908 -2.693 115 HE1 PHE 15 HE1 PHE 15 6.482 -0.826 1.451 116 HE2 PHE 15 HE2 PHE 15 7.359 2.880 -0.548 117 HZ PHE 15 HZ PHE 15 7.288 1.498 1.513 118 H ASP 16 H ASP 16 3.130 -2.180 -4.748 119 HA ASP 16 HA ASP 16 4.328 -2.298 -7.454 120 1HB ASP 16 1HB ASP 16 1.704 -2.826 -6.117 121 2HB ASP 16 2HB ASP 16 1.568 -2.196 -7.743 122 H HIS 17 H HIS 17 5.459 -0.184 -7.252 123 HA HIS 17 HA HIS 17 3.983 2.088 -6.309 124 1HB HIS 17 1HB HIS 17 6.546 1.480 -6.259 125 2HB HIS 17 2HB HIS 17 6.625 2.339 -7.789 126 HD1 HIS 17 HND HIS 17 8.218 3.388 -5.406 127 HD2 HIS 17 HD HIS 17 4.284 4.525 -6.330 128 HE1 HIS 17 HE HIS 17 7.782 5.616 -4.206 129 H LYS 18 H LYS 18 5.633 1.726 -9.421 130 HA LYS 18 HA LYS 18 4.258 3.654 -11.005 131 1HB LYS 18 1HB LYS 18 6.228 2.947 -11.889 132 2HB LYS 18 2HB LYS 18 5.999 1.269 -11.391 133 1HG LYS 18 1HG LYS 18 4.226 2.232 -13.614 134 2HG LYS 18 2HG LYS 18 5.963 2.046 -13.871 135 1HD LYS 18 1HD LYS 18 6.003 -0.210 -13.045 136 2HD LYS 18 2HD LYS 18 4.240 -0.171 -12.824 137 1HE LYS 18 1HE LYS 18 4.430 0.644 -15.441 138 2HE LYS 18 2HE LYS 18 5.858 -0.394 -15.333 139 1HZ LYS 18 1HZ LYS 18 3.883 -1.581 -16.027 140 2HZ LYS 18 2HZ LYS 18 4.321 -2.154 -14.535 141 3HZ LYS 18 3HZ LYS 18 3.057 -1.114 -14.720 142 H ALA 19 H ALA 19 3.844 0.197 -10.676 143 HA ALA 19 HA ALA 19 1.503 -0.380 -11.988 144 1HB ALA 19 1HB ALA 19 2.676 -2.075 -10.845 145 2HB ALA 19 2HB ALA 19 2.493 -1.186 -9.324 146 3HB ALA 19 3HB ALA 19 1.072 -1.985 -10.061 147 H HIS 20 H HIS 20 1.403 0.808 -8.494 148 HA HIS 20 HA HIS 20 -1.466 1.144 -8.602 149 1HB HIS 20 1HB HIS 20 0.660 2.211 -6.733 150 2HB HIS 20 2HB HIS 20 -1.003 2.747 -6.625 151 HD1 HIS 20 HND HIS 20 0.777 -0.639 -6.755 152 HD2 HIS 20 HD HIS 20 -2.457 1.279 -4.890 153 HE1 HIS 20 HE HIS 20 -0.271 -2.335 -5.220 154 H ALA 21 H ALA 21 1.307 3.146 -9.511 155 HA ALA 21 HA ALA 21 -0.165 5.590 -9.798 156 1HB ALA 21 1HB ALA 21 2.239 4.893 -11.512 157 2HB ALA 21 2HB ALA 21 1.646 6.467 -11.007 158 3HB ALA 21 3HB ALA 21 2.358 5.360 -9.808 159 H GLU 22 H GLU 22 0.483 3.031 -12.205 160 HA GLU 22 HA GLU 22 -0.975 4.411 -14.306 161 1HB GLU 22 1HB GLU 22 -0.491 2.501 -15.709 162 2HB GLU 22 2HB GLU 22 0.949 3.017 -14.826 163 1HG GLU 22 1HG GLU 22 0.445 1.185 -13.160 164 2HG GLU 22 2HG GLU 22 -0.776 0.563 -14.282 165 H LYS 23 H LYS 23 -1.698 1.699 -12.080 166 HA LYS 23 HA LYS 23 -4.280 1.164 -13.199 167 1HB LYS 23 1HB LYS 23 -3.169 0.641 -10.412 168 2HB LYS 23 2HB LYS 23 -4.664 -0.057 -11.034 169 1HG LYS 23 1HG LYS 23 -1.948 -0.468 -12.362 170 2HG LYS 23 2HG LYS 23 -2.546 -1.543 -11.120 171 1HD LYS 23 1HD LYS 23 -4.352 -0.986 -13.476 172 2HD LYS 23 2HD LYS 23 -2.856 -1.847 -13.800 173 1HE LYS 23 1HE LYS 23 -4.645 -3.468 -13.414 174 2HE LYS 23 2HE LYS 23 -3.405 -3.599 -12.161 175 1HZ LYS 23 1HZ LYS 23 -5.590 -3.690 -11.217 176 2HZ LYS 23 2HZ LYS 23 -4.848 -2.338 -10.702 177 3HZ LYS 23 3HZ LYS 23 -6.017 -2.251 -11.863 178 H LEU 24 H LEU 24 -3.215 3.392 -10.660 179 HA LEU 24 HA LEU 24 -6.050 4.248 -10.190 180 1HB LEU 24 1HB LEU 24 -3.614 4.637 -8.436 181 2HB LEU 24 2HB LEU 24 -5.263 5.095 -8.077 182 HG LEU 24 HG LEU 24 -4.622 2.183 -8.705 183 1HD1 LEU 24 1HD1 LEU 24 -4.390 1.848 -6.251 184 2HD1 LEU 24 2HD1 LEU 24 -3.064 2.702 -7.041 185 3HD1 LEU 24 3HD1 LEU 24 -4.222 3.615 -6.070 186 1HD2 LEU 24 1HD2 LEU 24 -6.989 2.792 -8.633 187 2HD2 LEU 24 2HD2 LEU 24 -6.585 1.887 -7.162 188 3HD2 LEU 24 3HD2 LEU 24 -6.752 3.656 -7.101 189 H GLY 25 H GLY 25 -2.721 5.723 -10.491 190 1HA GLY 25 1HA GLY 25 -3.043 7.740 -12.087 191 2HA GLY 25 2HA GLY 25 -3.940 8.411 -10.719 192 H CYS 26 H CYS 26 -2.906 8.467 -8.698 193 HA CYS 26 HA CYS 26 -0.249 8.130 -7.960 194 1HB CYS 26 1HB CYS 26 -0.027 10.019 -9.901 195 2HB CYS 26 2HB CYS 26 -0.617 11.055 -8.625 196 H ASP 27 H ASP 27 -2.978 10.337 -8.069 197 HA ASP 27 HA ASP 27 -2.726 11.728 -5.712 198 1HB ASP 27 1HB ASP 27 -5.443 10.934 -6.812 199 2HB ASP 27 2HB ASP 27 -4.931 12.456 -6.077 200 H ALA 28 H ALA 28 -4.160 8.653 -6.411 201 HA ALA 28 HA ALA 28 -5.464 7.664 -4.295 202 1HB ALA 28 1HB ALA 28 -3.094 6.438 -5.770 203 2HB ALA 28 2HB ALA 28 -4.174 5.522 -4.707 204 3HB ALA 28 3HB ALA 28 -4.818 6.289 -6.177 205 H CYS 29 H CYS 29 -1.955 8.316 -4.324 206 HA CYS 29 HA CYS 29 -1.884 7.938 -1.345 207 1HB CYS 29 1HB CYS 29 0.309 7.320 -3.298 208 2HB CYS 29 2HB CYS 29 0.298 7.003 -1.551 209 H HIS 30 H HIS 30 -0.688 9.825 -4.162 210 HA HIS 30 HA HIS 30 0.631 11.738 -2.253 211 1HB HIS 30 1HB HIS 30 1.237 11.077 -5.152 212 2HB HIS 30 2HB HIS 30 2.101 12.238 -4.152 213 HD1 HIS 30 HND HIS 30 3.011 10.960 -1.757 214 HD2 HIS 30 HD HIS 30 2.520 8.909 -5.313 215 HE1 HIS 30 HE HIS 30 4.799 8.979 -1.770 216 H GLU 31 H GLU 31 -1.869 12.162 -2.386 217 HA GLU 31 HA GLU 31 -2.855 13.689 -4.594 218 1HB GLU 31 1HB GLU 31 -4.463 14.681 -2.865 219 2HB GLU 31 2HB GLU 31 -4.573 12.959 -3.230 220 1HG GLU 31 1HG GLU 31 -3.539 12.296 -1.232 221 2HG GLU 31 2HG GLU 31 -2.941 13.934 -0.874 222 H GLY 32 H GLY 32 -1.212 14.760 -1.640 223 1HA GLY 32 1HA GLY 32 -1.120 17.564 -2.672 224 2HA GLY 32 2HA GLY 32 -0.900 17.029 -1.008 225 H THR 33 H THR 33 0.678 15.547 -3.828 226 HA THR 33 HA THR 33 2.749 15.771 -4.704 227 HB THR 33 HB THR 33 3.803 17.353 -2.333 228 HG1 THR 33 HG1 THR 33 2.168 18.564 -3.028 229 1HG2 THR 33 1HG2 THR 33 5.532 16.542 -3.863 230 2HG2 THR 33 2HG2 THR 33 4.666 17.275 -5.244 231 3HG2 THR 33 3HG2 THR 33 5.348 18.295 -3.967 232 HA PRO 34 HA PRO 34 4.466 12.373 -2.176 233 1HB PRO 34 1HB PRO 34 6.675 11.749 -3.589 234 2HB PRO 34 2HB PRO 34 5.035 11.261 -4.090 235 1HG PRO 34 1HG PRO 34 6.636 13.583 -5.084 236 2HG PRO 34 2HG PRO 34 5.638 12.397 -5.996 237 1HD PRO 34 1HD PRO 34 4.756 14.900 -5.371 238 2HD PRO 34 2HD PRO 34 3.656 13.502 -5.466 239 H ALA 35 H ALA 35 5.586 12.694 -0.326 240 HA ALA 35 HA ALA 35 8.215 13.971 -0.347 241 1HB ALA 35 1HB ALA 35 5.906 15.119 1.287 242 2HB ALA 35 2HB ALA 35 7.617 15.596 1.416 243 3HB ALA 35 3HB ALA 35 6.716 15.914 -0.082 244 H LYS 36 H LYS 36 7.784 11.470 -0.177 245 HA LYS 36 HA LYS 36 8.053 9.553 0.917 246 1HB LYS 36 1HB LYS 36 8.400 11.152 3.511 247 2HB LYS 36 2HB LYS 36 8.590 9.437 3.302 248 1HG LYS 36 1HG LYS 36 10.155 10.358 1.243 249 2HG LYS 36 2HG LYS 36 10.287 11.727 2.306 250 1HD LYS 36 1HD LYS 36 12.171 10.101 2.462 251 2HD LYS 36 2HD LYS 36 11.333 10.232 4.039 252 1HE LYS 36 1HE LYS 36 10.159 8.171 3.695 253 2HE LYS 36 2HE LYS 36 10.473 8.238 1.926 254 1HZ LYS 36 1HZ LYS 36 12.374 7.484 4.007 255 2HZ LYS 36 2HZ LYS 36 11.486 6.541 2.963 256 3HZ LYS 36 3HZ LYS 36 12.667 7.548 2.362 257 H ILE 37 H ILE 37 6.863 7.992 2.378 258 HA ILE 37 HA ILE 37 4.299 9.255 3.399 259 HB ILE 37 HB ILE 37 4.279 6.414 2.377 260 1HG1 ILE 37 1HG1 ILE 37 3.771 8.991 0.919 261 2HG1 ILE 37 2HG1 ILE 37 4.771 7.598 0.482 262 1HG2 ILE 37 1HG2 ILE 37 2.566 7.095 4.071 263 2HG2 ILE 37 2HG2 ILE 37 2.082 8.439 3.019 264 3HG2 ILE 37 3HG2 ILE 37 1.830 6.759 2.515 265 1HD1 ILE 37 1HD1 ILE 37 2.508 6.308 0.289 266 2HD1 ILE 37 2HD1 ILE 37 1.716 7.883 0.473 267 3HD1 ILE 37 3HD1 ILE 37 2.754 7.579 -0.916 268 H ALA 38 H ALA 38 6.457 6.572 3.650 269 HA ALA 38 HA ALA 38 7.315 5.405 5.394 270 1HB ALA 38 1HB ALA 38 7.403 6.282 7.606 271 2HB ALA 38 2HB ALA 38 7.622 7.609 6.442 272 3HB ALA 38 3HB ALA 38 6.078 7.416 7.308 273 H ILE 39 H ILE 39 5.722 3.992 4.381 274 HA ILE 39 HA ILE 39 3.349 3.315 5.952 275 HB ILE 39 HB ILE 39 4.625 2.042 3.538 276 1HG1 ILE 39 1HG1 ILE 39 3.678 4.382 3.279 277 2HG1 ILE 39 2HG1 ILE 39 3.000 3.105 2.326 278 1HG2 ILE 39 1HG2 ILE 39 2.440 0.826 3.367 279 2HG2 ILE 39 2HG2 ILE 39 3.400 0.350 4.766 280 3HG2 ILE 39 3HG2 ILE 39 2.013 1.416 4.993 281 1HD1 ILE 39 1HD1 ILE 39 1.231 4.591 3.086 282 2HD1 ILE 39 2HD1 ILE 39 0.995 3.030 3.863 283 3HD1 ILE 39 3HD1 ILE 39 1.715 4.382 4.772 284 H ASP 40 H ASP 40 3.852 2.683 7.799 285 HA ASP 40 HA ASP 40 5.687 0.353 8.312 286 1HB ASP 40 1HB ASP 40 4.598 2.346 10.340 287 2HB ASP 40 2HB ASP 40 5.793 1.076 10.626 288 H LYS 41 H LYS 41 4.644 -1.162 9.955 289 HA LYS 41 HA LYS 41 2.130 -1.993 9.585 290 1HB LYS 41 1HB LYS 41 2.215 -2.849 11.929 291 2HB LYS 41 2HB LYS 41 3.595 -3.211 10.912 292 1HG LYS 41 1HG LYS 41 4.844 -1.286 12.047 293 2HG LYS 41 2HG LYS 41 3.502 -1.231 13.220 294 1HD LYS 41 1HD LYS 41 3.908 -3.681 13.665 295 2HD LYS 41 2HD LYS 41 5.247 -3.613 12.498 296 1HE LYS 41 1HE LYS 41 6.434 -1.972 13.883 297 2HE LYS 41 2HE LYS 41 5.152 -2.055 15.112 298 1HZ LYS 41 1HZ LYS 41 5.685 -4.383 15.406 299 2HZ LYS 41 2HZ LYS 41 6.708 -4.381 14.170 300 3HZ LYS 41 3HZ LYS 41 7.100 -3.536 15.535 301 H LYS 42 H LYS 42 3.074 0.588 11.794 302 HA LYS 42 HA LYS 42 0.651 1.254 12.965 303 1HB LYS 42 1HB LYS 42 2.804 2.230 13.656 304 2HB LYS 42 2HB LYS 42 3.062 2.832 12.024 305 1HG LYS 42 1HG LYS 42 2.590 4.703 13.069 306 2HG LYS 42 2HG LYS 42 1.039 4.342 12.355 307 1HD LYS 42 1HD LYS 42 1.886 4.138 15.288 308 2HD LYS 42 2HD LYS 42 0.726 5.234 14.555 309 1HE LYS 42 1HE LYS 42 -0.723 3.768 15.558 310 2HE LYS 42 2HE LYS 42 -0.642 3.075 13.938 311 1HZ LYS 42 1HZ LYS 42 -0.405 1.383 15.583 312 2HZ LYS 42 2HZ LYS 42 1.069 1.551 14.871 313 3HZ LYS 42 3HZ LYS 42 0.801 2.184 16.363 314 H SER 43 H SER 43 1.947 2.502 9.777 315 HA SER 43 HA SER 43 -0.430 4.046 9.300 316 1HB SER 43 1HB SER 43 1.221 3.633 6.956 317 2HB SER 43 2HB SER 43 0.993 5.068 7.948 318 HG SER 43 HG SER 43 3.178 4.521 8.057 319 H ALA 44 H ALA 44 1.097 1.317 7.662 320 HA ALA 44 HA ALA 44 -0.614 0.438 5.740 321 1HB ALA 44 1HB ALA 44 1.577 -0.536 6.356 322 2HB ALA 44 2HB ALA 44 0.849 -1.285 7.778 323 3HB ALA 44 3HB ALA 44 0.285 -1.764 6.168 324 H HIS 45 H HIS 45 -0.703 -0.519 9.177 325 HA HIS 45 HA HIS 45 -3.363 -1.770 8.786 326 1HB HIS 45 1HB HIS 45 -1.207 -2.326 10.821 327 2HB HIS 45 2HB HIS 45 -2.855 -2.891 10.959 328 HD1 HIS 45 HND HIS 45 -3.678 -4.810 9.399 329 HD2 HIS 45 HD HIS 45 0.339 -3.671 8.900 330 HE1 HIS 45 HE HIS 45 -2.562 -6.631 8.030 331 H LYS 46 H LYS 46 -2.606 1.238 9.285 332 HA LYS 46 HA LYS 46 -4.750 1.700 11.304 333 1HB LYS 46 1HB LYS 46 -3.170 3.219 11.825 334 2HB LYS 46 2HB LYS 46 -2.563 3.347 10.178 335 1HG LYS 46 1HG LYS 46 -3.487 5.431 11.201 336 2HG LYS 46 2HG LYS 46 -3.846 5.005 9.547 337 1HD LYS 46 1HD LYS 46 -5.829 5.718 10.097 338 2HD LYS 46 2HD LYS 46 -6.099 4.035 10.563 339 1HE LYS 46 1HE LYS 46 -5.718 4.739 12.953 340 2HE LYS 46 2HE LYS 46 -5.645 6.413 12.349 341 1HZ LYS 46 1HZ LYS 46 -7.827 5.725 11.170 342 2HZ LYS 46 2HZ LYS 46 -7.918 4.555 12.262 343 3HZ LYS 46 3HZ LYS 46 -7.906 6.124 12.788 344 H ASP 47 H ASP 47 -4.143 3.358 8.162 345 HA ASP 47 HA ASP 47 -6.795 2.464 7.228 346 1HB ASP 47 1HB ASP 47 -6.258 5.355 7.971 347 2HB ASP 47 2HB ASP 47 -7.479 4.880 6.814 348 H ALA 48 H ALA 48 -3.802 2.408 6.462 349 HA ALA 48 HA ALA 48 -3.923 3.805 3.852 350 1HB ALA 48 1HB ALA 48 -1.573 2.977 3.678 351 2HB ALA 48 2HB ALA 48 -1.869 4.019 5.075 352 3HB ALA 48 3HB ALA 48 -1.713 2.284 5.314 353 H CYS 49 H CYS 49 -2.300 0.834 3.999 354 HA CYS 49 HA CYS 49 -3.273 0.174 1.470 355 1HB CYS 49 1HB CYS 49 -2.021 -1.711 3.418 356 2HB CYS 49 2HB CYS 49 -1.919 -1.802 1.656 357 H LYS 50 H LYS 50 -3.882 -1.622 4.504 358 HA LYS 50 HA LYS 50 -5.939 -3.320 3.389 359 1HB LYS 50 1HB LYS 50 -6.087 -4.208 5.661 360 2HB LYS 50 2HB LYS 50 -4.405 -4.015 5.187 361 1HG LYS 50 1HG LYS 50 -4.043 -2.874 7.032 362 2HG LYS 50 2HG LYS 50 -4.964 -1.540 6.360 363 1HD LYS 50 1HD LYS 50 -6.996 -3.159 7.458 364 2HD LYS 50 2HD LYS 50 -5.638 -3.427 8.529 365 1HE LYS 50 1HE LYS 50 -6.777 -1.582 9.478 366 2HE LYS 50 2HE LYS 50 -5.374 -0.883 8.677 367 1HZ LYS 50 1HZ LYS 50 -7.240 0.409 8.305 368 2HZ LYS 50 2HZ LYS 50 -6.827 -0.195 6.842 369 3HZ LYS 50 3HZ LYS 50 -8.110 -0.837 7.626 370 H THR 51 H THR 51 -6.672 -0.683 2.893 371 HA THR 51 HA THR 51 -9.243 -0.456 4.354 372 HB THR 51 HB THR 51 -7.678 2.089 4.059 373 HG1 THR 51 HG1 THR 51 -6.088 0.949 4.851 374 1HG2 THR 51 1HG2 THR 51 -8.800 2.653 6.110 375 2HG2 THR 51 2HG2 THR 51 -9.981 1.964 4.996 376 3HG2 THR 51 3HG2 THR 51 -9.361 0.985 6.345 377 H CYS 52 H CYS 52 -7.071 1.227 2.083 378 HA CYS 52 HA CYS 52 -9.005 1.967 0.156 379 1HB CYS 52 1HB CYS 52 -6.364 2.342 0.501 380 2HB CYS 52 2HB CYS 52 -6.292 1.037 -0.678 381 H HIS 53 H HIS 53 -6.906 -1.000 0.370 382 HA HIS 53 HA HIS 53 -8.013 -2.353 -1.823 383 1HB HIS 53 1HB HIS 53 -6.929 -3.431 0.808 384 2HB HIS 53 2HB HIS 53 -7.420 -4.445 -0.560 385 HD1 HIS 53 HND HIS 53 -4.735 -5.211 -0.392 386 HD2 HIS 53 HD HIS 53 -5.706 -1.455 -2.045 387 HE1 HIS 53 HE HIS 53 -2.736 -4.418 -1.681 388 H LYS 54 H LYS 54 -9.286 -2.246 1.547 389 HA LYS 54 HA LYS 54 -11.223 -4.280 1.213 390 1HB LYS 54 1HB LYS 54 -11.523 -1.836 2.979 391 2HB LYS 54 2HB LYS 54 -12.395 -3.389 3.073 392 1HG LYS 54 1HG LYS 54 -10.051 -4.468 3.323 393 2HG LYS 54 2HG LYS 54 -9.481 -2.839 3.667 394 1HD LYS 54 1HD LYS 54 -11.474 -4.519 5.250 395 2HD LYS 54 2HD LYS 54 -9.866 -3.977 5.715 396 1HE LYS 54 1HE LYS 54 -11.289 -2.595 6.954 397 2HE LYS 54 2HE LYS 54 -10.738 -1.568 5.629 398 1HZ LYS 54 1HZ LYS 54 -12.859 -2.000 4.542 399 2HZ LYS 54 2HZ LYS 54 -13.336 -2.966 5.783 400 3HZ LYS 54 3HZ LYS 54 -13.092 -1.362 6.033 401 H SER 55 H SER 55 -11.371 -0.799 0.375 402 HA SER 55 HA SER 55 -14.204 -0.884 -0.232 403 1HB SER 55 1HB SER 55 -13.921 1.284 -1.212 404 2HB SER 55 2HB SER 55 -13.051 1.216 0.329 405 HG SER 55 HG SER 55 -11.135 0.735 -1.073 406 H ASN 56 H ASN 56 -11.374 -1.968 -1.937 407 HA ASN 56 HA ASN 56 -12.683 -1.908 -4.590 408 1HB ASN 56 1HB ASN 56 -9.910 -2.782 -3.673 409 2HB ASN 56 2HB ASN 56 -10.544 -2.998 -5.301 410 1HD2 ASN 56 1HD2 ASN 56 -9.843 -0.388 -2.841 411 2HD2 ASN 56 2HD2 ASN 56 -9.627 0.829 -4.073 412 H ASN 57 H ASN 57 -11.426 -4.340 -2.198 413 HA ASN 57 HA ASN 57 -13.658 -6.053 -2.768 414 1HB ASN 57 1HB ASN 57 -12.114 -6.599 -4.717 415 2HB ASN 57 2HB ASN 57 -10.900 -7.115 -3.534 416 1HD2 ASN 57 1HD2 ASN 57 -11.166 -9.176 -4.899 417 2HD2 ASN 57 2HD2 ASN 57 -12.429 -10.282 -4.389 418 H GLY 58 H GLY 58 -13.611 -7.964 -1.304 419 1HA GLY 58 1HA GLY 58 -12.720 -7.151 1.311 420 2HA GLY 58 2HA GLY 58 -13.496 -8.688 0.889 421 HA PRO 59 HA PRO 59 -8.818 -9.572 1.499 422 1HB PRO 59 1HB PRO 59 -8.663 -10.085 4.159 423 2HB PRO 59 2HB PRO 59 -8.518 -8.430 3.514 424 1HG PRO 59 1HG PRO 59 -10.998 -9.749 4.656 425 2HG PRO 59 2HG PRO 59 -10.296 -8.166 5.107 426 1HD PRO 59 1HD PRO 59 -12.336 -8.409 3.303 427 2HD PRO 59 2HD PRO 59 -11.066 -7.164 3.105 428 H THR 60 H THR 60 -8.246 -11.790 2.852 429 HA THR 60 HA THR 60 -10.346 -13.786 2.463 430 HB THR 60 HB THR 60 -8.350 -13.037 0.363 431 HG1 THR 60 HG1 THR 60 -10.737 -12.844 0.431 432 1HG2 THR 60 1HG2 THR 60 -8.546 -15.305 -0.673 433 2HG2 THR 60 2HG2 THR 60 -7.434 -15.184 0.690 434 3HG2 THR 60 3HG2 THR 60 -9.045 -15.940 0.909 435 H LYS 61 H LYS 61 -6.763 -13.340 2.763 436 HA LYS 61 HA LYS 61 -6.784 -14.339 5.385 437 1HB LYS 61 1HB LYS 61 -5.511 -16.518 5.079 438 2HB LYS 61 2HB LYS 61 -7.237 -16.526 4.863 439 1HG LYS 61 1HG LYS 61 -6.368 -17.928 3.224 440 2HG LYS 61 2HG LYS 61 -6.946 -16.495 2.383 441 1HD LYS 61 1HD LYS 61 -4.664 -15.682 2.085 442 2HD LYS 61 2HD LYS 61 -4.040 -16.921 3.204 443 1HE LYS 61 1HE LYS 61 -4.703 -18.697 1.595 444 2HE LYS 61 2HE LYS 61 -5.269 -17.452 0.464 445 1HZ LYS 61 1HZ LYS 61 -3.038 -18.187 -0.039 446 2HZ LYS 61 2HZ LYS 61 -3.017 -16.599 0.391 447 3HZ LYS 61 3HZ LYS 61 -2.502 -17.743 1.451 448 H CYS 62 H CYS 62 -5.715 -12.189 4.907 449 HA CYS 62 HA CYS 62 -3.937 -10.855 4.615 450 1HB CYS 62 1HB CYS 62 -2.156 -13.234 5.226 451 2HB CYS 62 2HB CYS 62 -1.789 -11.521 5.452 452 H GLY 63 H GLY 63 -1.295 -11.912 3.491 453 1HA GLY 63 1HA GLY 63 -0.318 -12.206 1.438 454 2HA GLY 63 2HA GLY 63 -1.604 -13.397 1.196 455 H GLY 64 H GLY 64 -1.568 -9.832 1.423 456 1HA GLY 64 1HA GLY 64 -2.560 -9.572 -1.390 457 2HA GLY 64 2HA GLY 64 -3.437 -8.848 -0.035 458 H CYS 65 H CYS 65 -0.006 -8.993 0.152 459 HA CYS 65 HA CYS 65 0.877 -6.429 -0.701 460 1HB CYS 65 1HB CYS 65 0.076 -6.814 2.177 461 2HB CYS 65 2HB CYS 65 1.291 -5.617 1.710 462 H HIS 66 H HIS 66 1.081 -8.590 2.120 463 HA HIS 66 HA HIS 66 3.929 -8.851 2.152 464 1HB HIS 66 1HB HIS 66 1.766 -10.567 3.423 465 2HB HIS 66 2HB HIS 66 3.476 -10.687 3.757 466 HD1 HIS 66 HND HIS 66 4.584 -8.149 4.746 467 HD2 HIS 66 HD HIS 66 0.457 -8.975 5.122 468 HE1 HIS 66 HE HIS 66 3.641 -6.587 6.485 469 H ILE 67 H ILE 67 5.108 -10.162 0.748 470 HA ILE 67 HA ILE 67 3.833 -12.517 -0.537 471 HB ILE 67 HB ILE 67 6.779 -11.804 -0.320 472 1HG1 ILE 67 1HG1 ILE 67 5.737 -9.953 -1.417 473 2HG1 ILE 67 2HG1 ILE 67 6.557 -10.931 -2.625 474 1HG2 ILE 67 1HG2 ILE 67 6.438 -14.145 -0.915 475 2HG2 ILE 67 2HG2 ILE 67 5.248 -13.707 -2.149 476 3HG2 ILE 67 3HG2 ILE 67 6.952 -13.250 -2.348 477 1HD1 ILE 67 1HD1 ILE 67 4.335 -11.954 -3.258 478 2HD1 ILE 67 2HD1 ILE 67 3.547 -10.844 -2.112 479 3HD1 ILE 67 3HD1 ILE 67 4.420 -10.209 -3.509 480 H LYS 68 H LYS 68 2.880 -13.162 1.570 481 HA LYS 68 HA LYS 68 3.694 -15.363 2.893 482 1HB LYS 68 1HB LYS 68 5.078 -12.899 3.946 483 2HB LYS 68 2HB LYS 68 4.361 -13.970 5.133 484 1HG LYS 68 1HG LYS 68 5.698 -15.786 4.705 485 2HG LYS 68 2HG LYS 68 6.367 -15.126 3.203 486 1HD LYS 68 1HD LYS 68 7.548 -13.406 4.298 487 2HD LYS 68 2HD LYS 68 6.473 -13.494 5.698 488 1HE LYS 68 1HE LYS 68 7.523 -15.660 6.367 489 2HE LYS 68 2HE LYS 68 8.758 -15.388 5.122 490 1HZ LYS 68 1HZ LYS 68 8.112 -13.456 7.278 491 2HZ LYS 68 2HZ LYS 68 9.334 -14.562 7.390 492 3HZ LYS 68 3HZ LYS 68 9.381 -13.379 6.252 493 HHA HEC 69 HCM HEC 69 8.249 7.390 -1.268 494 HHB HEC 69 HDM HEC 69 6.840 10.356 -6.706 495 HHC HEC 69 HAM HEC 69 1.686 6.602 -7.418 496 HHD HEC 69 HBM HEC 69 2.764 4.458 -1.445 497 1HMA HEC 69 HM81 HEC 69 8.511 11.676 -5.310 498 2HMA HEC 69 HM82 HEC 69 10.027 10.927 -4.794 499 3HMA HEC 69 HM83 HEC 69 9.291 10.442 -6.329 500 1HAA HEC 69 HP71 HEC 69 10.105 8.322 -2.047 501 2HAA HEC 69 HP72 HEC 69 10.767 9.213 -3.396 502 1HBA HEC 69 HP73 HEC 69 9.889 11.324 -2.479 503 2HBA HEC 69 HP74 HEC 69 9.128 10.425 -1.165 504 1HMB HEC 69 HM11 HEC 69 5.220 9.897 -9.956 505 2HMB HEC 69 HM12 HEC 69 4.446 11.120 -8.911 506 3HMB HEC 69 HM13 HEC 69 6.151 10.689 -8.700 507 HAB HEC 69 HT2A HEC 69 1.709 7.943 -9.036 508 1HBB HEC 69 HT21 HEC 69 1.741 9.082 -11.034 509 2HBB HEC 69 HT22 HEC 69 3.022 10.184 -10.543 510 3HBB HEC 69 HT23 HEC 69 3.389 8.468 -10.879 511 1HMC HEC 69 HM31 HEC 69 -0.479 6.327 -6.115 512 2HMC HEC 69 HM32 HEC 69 0.071 4.826 -6.887 513 3HMC HEC 69 HM33 HEC 69 -0.932 4.778 -5.428 514 HAC HEC 69 HT4A HEC 69 0.697 4.238 -1.886 515 1HBC HEC 69 HT41 HEC 69 -0.743 2.972 -4.232 516 2HBC HEC 69 HT42 HEC 69 0.647 2.249 -3.404 517 3HBC HEC 69 HT43 HEC 69 -0.870 2.543 -2.533 518 1HMD HEC 69 HM51 HEC 69 4.346 3.116 -0.167 519 2HMD HEC 69 HM52 HEC 69 5.297 3.840 1.138 520 3HMD HEC 69 HM53 HEC 69 3.686 4.478 0.771 521 1HAD HEC 69 HP61 HEC 69 6.572 5.850 1.479 522 2HAD HEC 69 HP62 HEC 69 7.529 4.544 0.784 523 1HBD HEC 69 HP63 HEC 69 9.295 6.038 0.167 524 2HBD HEC 69 HP64 HEC 69 8.301 7.429 0.721 525 HHA HEC 70 HCM HEC 70 -3.417 -4.995 -6.394 526 HHB HEC 70 HDM HEC 70 0.826 -3.855 -1.699 527 HHC HEC 70 HAM HEC 70 -2.277 1.544 -0.351 528 HHD HEC 70 HBM HEC 70 -6.415 0.458 -4.985 529 1HMA HEC 70 HM81 HEC 70 1.639 -5.425 -2.979 530 2HMA HEC 70 HM82 HEC 70 0.657 -6.904 -3.067 531 3HMA HEC 70 HM83 HEC 70 1.410 -6.226 -4.529 532 1HAA HEC 70 HP71 HEC 70 -1.689 -6.301 -6.720 533 2HAA HEC 70 HP72 HEC 70 -0.190 -6.852 -6.026 534 1HBA HEC 70 HP73 HEC 70 -2.803 -7.563 -4.677 535 2HBA HEC 70 HP74 HEC 70 -2.259 -8.436 -6.110 536 1HMB HEC 70 HM11 HEC 70 1.213 -3.199 0.549 537 2HMB HEC 70 HM12 HEC 70 2.294 -2.089 -0.334 538 3HMB HEC 70 HM13 HEC 70 1.598 -1.628 1.240 539 HAB HEC 70 HT2A HEC 70 -0.885 1.345 1.068 540 1HBB HEC 70 HT21 HEC 70 1.240 2.016 1.654 541 2HBB HEC 70 HT22 HEC 70 2.016 0.550 1.016 542 3HBB HEC 70 HT23 HEC 70 1.248 1.704 -0.086 543 1HMC HEC 70 HM31 HEC 70 -4.688 4.114 -1.625 544 2HMC HEC 70 HM32 HEC 70 -4.254 3.163 -0.191 545 3HMC HEC 70 HM33 HEC 70 -3.011 3.650 -1.363 546 HAC HEC 70 HT4A HEC 70 -7.325 1.747 -3.432 547 1HBC HEC 70 HT41 HEC 70 -5.835 4.392 -3.641 548 2HBC HEC 70 HT42 HEC 70 -6.133 3.280 -4.987 549 3HBC HEC 70 HT43 HEC 70 -7.498 4.076 -4.179 550 1HMD HEC 70 HM51 HEC 70 -6.727 -0.525 -7.723 551 2HMD HEC 70 HM52 HEC 70 -7.613 -2.052 -7.511 552 3HMD HEC 70 HM53 HEC 70 -7.745 -0.791 -6.291 553 1HAD HEC 70 HP61 HEC 70 -5.706 -2.999 -8.644 554 2HAD HEC 70 HP62 HEC 70 -4.465 -4.177 -8.249 555 1HBD HEC 70 HP63 HEC 70 -6.111 -5.653 -7.244 556 2HBD HEC 70 HP64 HEC 70 -7.375 -4.419 -7.386 557 HHA HEC 71 HCM HEC 71 3.971 -4.301 8.986 558 HHB HEC 71 HDM HEC 71 0.779 -9.609 10.554 559 HHC HEC 71 HAM HEC 71 -2.944 -8.902 5.419 560 HHD HEC 71 HBM HEC 71 0.509 -3.933 3.630 561 1HMA HEC 71 HM81 HEC 71 3.069 -9.412 11.832 562 2HMA HEC 71 HM82 HEC 71 3.340 -7.936 12.770 563 3HMA HEC 71 HM83 HEC 71 1.692 -8.526 12.537 564 1HAA HEC 71 HP71 HEC 71 4.906 -5.110 10.770 565 2HAA HEC 71 HP72 HEC 71 4.080 -5.701 12.212 566 1HBA HEC 71 HP73 HEC 71 5.242 -8.013 11.358 567 2HBA HEC 71 HP74 HEC 71 6.364 -6.850 10.665 568 1HMB HEC 71 HM11 HEC 71 -1.909 -12.050 9.542 569 2HMB HEC 71 HM12 HEC 71 -0.254 -11.659 10.002 570 3HMB HEC 71 HM13 HEC 71 -1.612 -10.836 10.804 571 HAB HEC 71 HT2A HEC 71 -3.970 -10.155 6.768 572 1HBB HEC 71 HT21 HEC 71 -5.335 -10.915 8.534 573 2HBB HEC 71 HT22 HEC 71 -3.968 -10.976 9.661 574 3HBB HEC 71 HT23 HEC 71 -4.506 -9.417 8.997 575 1HMC HEC 71 HM31 HEC 71 -3.189 -8.598 3.291 576 2HMC HEC 71 HM32 HEC 71 -4.220 -7.152 3.357 577 3HMC HEC 71 HM33 HEC 71 -3.003 -7.363 2.063 578 HAC HEC 71 HT4A HEC 71 -1.488 -3.714 2.892 579 1HBC HEC 71 HT41 HEC 71 -3.333 -3.617 1.464 580 2HBC HEC 71 HT42 HEC 71 -3.590 -5.355 1.517 581 3HBC HEC 71 HT43 HEC 71 -3.880 -4.381 2.977 582 1HMD HEC 71 HM51 HEC 71 1.799 -1.520 4.357 583 2HMD HEC 71 HM52 HEC 71 3.549 -1.834 4.321 584 3HMD HEC 71 HM53 HEC 71 2.434 -2.821 3.373 585 1HAD HEC 71 HP61 HEC 71 4.600 -1.759 6.205 586 2HAD HEC 71 HP62 HEC 71 4.080 -1.988 7.838 587 1HBD HEC 71 HP63 HEC 71 5.508 -4.360 7.159 588 2HBD HEC 71 HP64 HEC 71 6.414 -3.026 6.466 Start of MODEL 33 1 1H ALA 1 1H ALA 1 10.065 4.382 -5.748 2 2H ALA 1 2H ALA 1 11.102 5.526 -6.263 3 3H ALA 1 3H ALA 1 9.829 5.125 -7.200 4 HA ALA 1 HA ALA 1 11.759 4.097 -8.132 5 1HB ALA 1 1HB ALA 1 13.122 4.052 -6.100 6 2HB ALA 1 2HB ALA 1 12.044 2.852 -5.360 7 3HB ALA 1 3HB ALA 1 13.004 2.421 -6.790 8 H ASP 2 H ASP 2 10.087 3.270 -9.493 9 HA ASP 2 HA ASP 2 7.983 1.880 -9.316 10 1HB ASP 2 1HB ASP 2 10.320 1.065 -11.080 11 2HB ASP 2 2HB ASP 2 8.616 0.724 -11.394 12 H VAL 3 H VAL 3 7.307 0.333 -7.978 13 HA VAL 3 HA VAL 3 6.988 -1.603 -6.949 14 HB VAL 3 HB VAL 3 9.247 -2.873 -8.528 15 1HG1 VAL 3 1HG1 VAL 3 8.397 -4.177 -6.596 16 2HG1 VAL 3 2HG1 VAL 3 6.738 -4.004 -7.206 17 3HG1 VAL 3 3HG1 VAL 3 7.938 -4.922 -8.134 18 1HG2 VAL 3 1HG2 VAL 3 6.307 -2.535 -9.288 19 2HG2 VAL 3 2HG2 VAL 3 7.702 -1.856 -10.153 20 3HG2 VAL 3 3HG2 VAL 3 7.463 -3.602 -10.102 21 H VAL 4 H VAL 4 7.416 -1.115 -4.845 22 HA VAL 4 HA VAL 4 10.259 -1.223 -3.881 23 HB VAL 4 HB VAL 4 7.863 0.278 -2.864 24 1HG1 VAL 4 1HG1 VAL 4 9.166 -0.450 -0.881 25 2HG1 VAL 4 2HG1 VAL 4 10.675 0.027 -1.677 26 3HG1 VAL 4 3HG1 VAL 4 9.501 1.250 -1.161 27 1HG2 VAL 4 1HG2 VAL 4 8.770 1.463 -4.675 28 2HG2 VAL 4 2HG2 VAL 4 9.280 2.298 -3.207 29 3HG2 VAL 4 3HG2 VAL 4 10.442 1.261 -4.070 30 H THR 5 H THR 5 10.389 -2.173 -1.682 31 HA THR 5 HA THR 5 7.915 -3.296 -0.764 32 HB THR 5 HB THR 5 9.040 -5.312 -1.694 33 HG1 THR 5 HG1 THR 5 8.174 -5.057 0.595 34 1HG2 THR 5 1HG2 THR 5 11.454 -4.589 0.027 35 2HG2 THR 5 2HG2 THR 5 11.225 -6.088 -0.886 36 3HG2 THR 5 3HG2 THR 5 11.385 -4.550 -1.748 37 H TYR 6 H TYR 6 7.578 -3.176 1.366 38 HA TYR 6 HA TYR 6 9.168 -1.254 2.805 39 1HB TYR 6 1HB TYR 6 6.952 -3.003 3.838 40 2HB TYR 6 2HB TYR 6 7.618 -1.578 4.633 41 HD1 TYR 6 HD1 TYR 6 7.601 0.676 3.268 42 HD2 TYR 6 HD2 TYR 6 5.112 -2.727 2.432 43 HE1 TYR 6 HE1 TYR 6 6.093 2.092 1.902 44 HE2 TYR 6 HE2 TYR 6 3.613 -1.311 1.096 45 HH TYR 6 HH TYR 6 3.865 0.776 -0.158 46 H GLU 7 H GLU 7 10.913 -3.413 2.231 47 HA GLU 7 HA GLU 7 11.043 -5.732 3.236 48 1HB GLU 7 1HB GLU 7 13.463 -5.585 3.651 49 2HB GLU 7 2HB GLU 7 12.849 -5.054 2.084 50 1HG GLU 7 1HG GLU 7 13.028 -2.656 2.822 51 2HG GLU 7 2HG GLU 7 13.715 -3.209 4.358 52 H ASN 8 H ASN 8 9.688 -5.942 4.828 53 HA ASN 8 HA ASN 8 10.381 -5.297 7.639 54 1HB ASN 8 1HB ASN 8 7.914 -5.756 7.959 55 2HB ASN 8 2HB ASN 8 8.269 -4.436 6.852 56 1HD2 ASN 8 1HD2 ASN 8 7.063 -7.679 7.128 57 2HD2 ASN 8 2HD2 ASN 8 6.575 -7.885 5.424 58 H LYS 9 H LYS 9 9.166 -7.082 9.212 59 HA LYS 9 HA LYS 9 11.136 -9.161 8.926 60 1HB LYS 9 1HB LYS 9 10.237 -7.727 11.066 61 2HB LYS 9 2HB LYS 9 9.128 -9.079 11.169 62 1HG LYS 9 1HG LYS 9 10.941 -9.578 12.572 63 2HG LYS 9 2HG LYS 9 11.129 -10.633 11.167 64 1HD LYS 9 1HD LYS 9 12.486 -7.972 10.925 65 2HD LYS 9 2HD LYS 9 13.062 -8.884 12.307 66 1HE LYS 9 1HE LYS 9 13.041 -9.904 9.417 67 2HE LYS 9 2HE LYS 9 14.423 -9.192 10.242 68 1HZ LYS 9 1HZ LYS 9 13.051 -11.666 11.061 69 2HZ LYS 9 2HZ LYS 9 14.504 -11.569 10.302 70 3HZ LYS 9 3HZ LYS 9 14.340 -10.990 11.832 71 H LYS 10 H LYS 10 7.626 -8.854 9.069 72 HA LYS 10 HA LYS 10 6.716 -11.460 9.101 73 1HB LYS 10 1HB LYS 10 5.797 -9.007 7.612 74 2HB LYS 10 2HB LYS 10 4.984 -10.502 7.253 75 1HG LYS 10 1HG LYS 10 5.429 -9.340 10.010 76 2HG LYS 10 2HG LYS 10 3.985 -9.023 9.034 77 1HD LYS 10 1HD LYS 10 4.827 -11.628 10.365 78 2HD LYS 10 2HD LYS 10 3.322 -10.716 10.541 79 1HE LYS 10 1HE LYS 10 2.838 -11.243 8.074 80 2HE LYS 10 2HE LYS 10 4.233 -12.343 8.098 81 1HZ LYS 10 1HZ LYS 10 2.297 -13.541 8.427 82 2HZ LYS 10 2HZ LYS 10 3.169 -13.590 9.819 83 3HZ LYS 10 3HZ LYS 10 1.824 -12.634 9.722 84 H GLY 11 H GLY 11 7.361 -9.789 6.036 85 1HA GLY 11 1HA GLY 11 8.447 -11.910 4.501 86 2HA GLY 11 2HA GLY 11 6.677 -12.075 4.473 87 H ASN 12 H ASN 12 9.233 -9.734 4.211 88 HA ASN 12 HA ASN 12 8.943 -7.420 3.477 89 1HB ASN 12 1HB ASN 12 9.814 -9.148 1.216 90 2HB ASN 12 2HB ASN 12 10.240 -7.461 1.470 91 1HD2 ASN 12 1HD2 ASN 12 10.551 -8.291 4.671 92 2HD2 ASN 12 2HD2 ASN 12 12.153 -8.920 4.562 93 H VAL 13 H VAL 13 7.078 -6.452 3.181 94 HA VAL 13 HA VAL 13 4.952 -7.376 1.440 95 HB VAL 13 HB VAL 13 5.375 -4.825 3.045 96 1HG1 VAL 13 1HG1 VAL 13 3.910 -4.186 1.248 97 2HG1 VAL 13 2HG1 VAL 13 3.061 -5.750 1.290 98 3HG1 VAL 13 3HG1 VAL 13 2.851 -4.589 2.606 99 1HG2 VAL 13 1HG2 VAL 13 5.033 -6.887 4.364 100 2HG2 VAL 13 2HG2 VAL 13 3.723 -5.719 4.545 101 3HG2 VAL 13 3HG2 VAL 13 3.488 -7.150 3.518 102 H THR 14 H THR 14 5.359 -7.284 -0.700 103 HA THR 14 HA THR 14 6.819 -5.075 -1.934 104 HB THR 14 HB THR 14 6.970 -7.389 -2.776 105 HG1 THR 14 HG1 THR 14 6.625 -6.728 -4.991 106 1HG2 THR 14 1HG2 THR 14 4.567 -8.070 -2.469 107 2HG2 THR 14 2HG2 THR 14 4.120 -6.985 -3.801 108 3HG2 THR 14 3HG2 THR 14 5.179 -8.374 -4.102 109 H PHE 15 H PHE 15 5.920 -3.482 -3.302 110 HA PHE 15 HA PHE 15 3.043 -3.465 -3.724 111 1HB PHE 15 1HB PHE 15 2.629 -1.227 -2.932 112 2HB PHE 15 2HB PHE 15 3.113 -2.282 -1.611 113 HD1 PHE 15 HD1 PHE 15 3.762 0.860 -3.241 114 HD2 PHE 15 HD2 PHE 15 5.563 -2.252 -0.848 115 HE1 PHE 15 HE1 PHE 15 5.387 2.497 -2.315 116 HE2 PHE 15 HE2 PHE 15 7.158 -0.619 0.071 117 HZ PHE 15 HZ PHE 15 7.060 1.737 -0.615 118 H ASP 16 H ASP 16 2.932 -3.270 -5.797 119 HA ASP 16 HA ASP 16 4.876 -2.244 -7.492 120 1HB ASP 16 1HB ASP 16 1.916 -2.675 -8.023 121 2HB ASP 16 2HB ASP 16 3.262 -2.717 -9.199 122 H HIS 17 H HIS 17 5.212 -0.212 -6.299 123 HA HIS 17 HA HIS 17 3.668 1.960 -5.960 124 1HB HIS 17 1HB HIS 17 6.037 1.767 -5.358 125 2HB HIS 17 2HB HIS 17 6.524 1.919 -7.043 126 HD1 HIS 17 HND HIS 17 6.965 4.361 -7.866 127 HD2 HIS 17 HD HIS 17 4.619 4.066 -4.386 128 HE1 HIS 17 HE HIS 17 6.545 6.748 -7.032 129 H LYS 18 H LYS 18 5.597 1.733 -8.983 130 HA LYS 18 HA LYS 18 4.295 3.710 -10.448 131 1HB LYS 18 1HB LYS 18 6.336 2.861 -11.281 132 2HB LYS 18 2HB LYS 18 5.759 1.180 -11.292 133 1HG LYS 18 1HG LYS 18 4.228 1.607 -13.111 134 2HG LYS 18 2HG LYS 18 4.474 3.359 -12.969 135 1HD LYS 18 1HD LYS 18 6.752 3.135 -13.756 136 2HD LYS 18 2HD LYS 18 6.641 1.359 -13.685 137 1HE LYS 18 1HE LYS 18 4.731 1.530 -15.409 138 2HE LYS 18 2HE LYS 18 5.089 3.260 -15.526 139 1HZ LYS 18 1HZ LYS 18 6.195 2.056 -17.237 140 2HZ LYS 18 2HZ LYS 18 7.340 2.642 -16.196 141 3HZ LYS 18 3HZ LYS 18 6.927 1.050 -16.157 142 H ALA 19 H ALA 19 3.582 0.183 -10.449 143 HA ALA 19 HA ALA 19 1.510 0.154 -12.294 144 1HB ALA 19 1HB ALA 19 2.427 -1.840 -11.143 145 2HB ALA 19 2HB ALA 19 1.476 -1.336 -9.708 146 3HB ALA 19 3HB ALA 19 0.643 -1.796 -11.199 147 H HIS 20 H HIS 20 1.137 0.665 -8.728 148 HA HIS 20 HA HIS 20 -1.677 1.194 -8.771 149 1HB HIS 20 1HB HIS 20 0.548 2.109 -6.903 150 2HB HIS 20 2HB HIS 20 -1.146 2.534 -6.695 151 HD1 HIS 20 HND HIS 20 0.969 -0.702 -6.821 152 HD2 HIS 20 HD HIS 20 -2.619 0.884 -5.304 153 HE1 HIS 20 HE HIS 20 -0.037 -2.473 -5.262 154 H ALA 21 H ALA 21 1.186 3.157 -9.420 155 HA ALA 21 HA ALA 21 -0.166 5.702 -9.515 156 1HB ALA 21 1HB ALA 21 2.293 5.114 -11.183 157 2HB ALA 21 2HB ALA 21 1.749 6.606 -10.459 158 3HB ALA 21 3HB ALA 21 2.368 5.291 -9.421 159 H GLU 22 H GLU 22 0.591 3.400 -12.146 160 HA GLU 22 HA GLU 22 -0.653 5.098 -14.160 161 1HB GLU 22 1HB GLU 22 -0.518 3.104 -15.664 162 2HB GLU 22 2HB GLU 22 1.024 3.729 -15.064 163 1HG GLU 22 1HG GLU 22 1.314 1.901 -13.600 164 2HG GLU 22 2HG GLU 22 -0.365 1.345 -13.801 165 H LYS 23 H LYS 23 -1.747 2.256 -12.286 166 HA LYS 23 HA LYS 23 -4.233 2.020 -13.742 167 1HB LYS 23 1HB LYS 23 -3.555 1.073 -10.931 168 2HB LYS 23 2HB LYS 23 -4.927 0.563 -11.916 169 1HG LYS 23 1HG LYS 23 -1.992 -0.025 -12.402 170 2HG LYS 23 2HG LYS 23 -3.269 -1.163 -11.981 171 1HD LYS 23 1HD LYS 23 -4.289 -0.656 -14.263 172 2HD LYS 23 2HD LYS 23 -2.876 0.389 -14.573 173 1HE LYS 23 1HE LYS 23 -1.504 -1.789 -13.833 174 2HE LYS 23 2HE LYS 23 -2.988 -2.627 -14.314 175 1HZ LYS 23 1HZ LYS 23 -1.420 -2.451 -16.112 176 2HZ LYS 23 2HZ LYS 23 -2.699 -1.474 -16.492 177 3HZ LYS 23 3HZ LYS 23 -1.278 -0.840 -15.933 178 H LEU 24 H LEU 24 -3.282 3.769 -10.756 179 HA LEU 24 HA LEU 24 -6.083 4.660 -10.397 180 1HB LEU 24 1HB LEU 24 -3.672 5.176 -8.642 181 2HB LEU 24 2HB LEU 24 -5.377 5.380 -8.244 182 HG LEU 24 HG LEU 24 -4.144 2.650 -8.912 183 1HD1 LEU 24 1HD1 LEU 24 -4.692 3.969 -6.261 184 2HD1 LEU 24 2HD1 LEU 24 -4.176 2.280 -6.481 185 3HD1 LEU 24 3HD1 LEU 24 -3.094 3.621 -6.920 186 1HD2 LEU 24 1HD2 LEU 24 -6.804 3.482 -7.679 187 2HD2 LEU 24 2HD2 LEU 24 -6.563 2.711 -9.267 188 3HD2 LEU 24 3HD2 LEU 24 -6.173 1.830 -7.787 189 H GLY 25 H GLY 25 -2.771 6.195 -10.682 190 1HA GLY 25 1HA GLY 25 -3.076 8.119 -12.362 191 2HA GLY 25 2HA GLY 25 -4.028 8.852 -11.047 192 H CYS 26 H CYS 26 -3.015 9.074 -8.971 193 HA CYS 26 HA CYS 26 -0.322 8.644 -8.293 194 1HB CYS 26 1HB CYS 26 -0.027 10.417 -10.309 195 2HB CYS 26 2HB CYS 26 -0.650 11.554 -9.145 196 H ASP 27 H ASP 27 -2.820 10.909 -8.371 197 HA ASP 27 HA ASP 27 -3.024 12.411 -6.055 198 1HB ASP 27 1HB ASP 27 -5.473 12.166 -6.576 199 2HB ASP 27 2HB ASP 27 -4.497 12.654 -7.962 200 H ALA 28 H ALA 28 -4.207 9.199 -6.785 201 HA ALA 28 HA ALA 28 -5.469 8.132 -4.805 202 1HB ALA 28 1HB ALA 28 -4.296 5.990 -5.226 203 2HB ALA 28 2HB ALA 28 -4.619 6.900 -6.724 204 3HB ALA 28 3HB ALA 28 -2.984 6.877 -6.036 205 H CYS 29 H CYS 29 -1.912 8.590 -4.474 206 HA CYS 29 HA CYS 29 -2.178 7.997 -1.523 207 1HB CYS 29 1HB CYS 29 0.140 7.388 -3.316 208 2HB CYS 29 2HB CYS 29 -0.058 6.896 -1.624 209 H HIS 30 H HIS 30 -1.694 10.510 -3.629 210 HA HIS 30 HA HIS 30 0.404 11.831 -1.979 211 1HB HIS 30 1HB HIS 30 0.626 11.164 -4.938 212 2HB HIS 30 2HB HIS 30 1.644 12.342 -4.127 213 HD1 HIS 30 HND HIS 30 2.790 11.062 -1.745 214 HD2 HIS 30 HD HIS 30 2.114 9.103 -5.339 215 HE1 HIS 30 HE HIS 30 4.608 9.155 -1.949 216 H GLU 31 H GLU 31 -1.930 12.644 -1.651 217 HA GLU 31 HA GLU 31 -2.950 14.547 -3.562 218 1HB GLU 31 1HB GLU 31 -3.434 14.731 -0.536 219 2HB GLU 31 2HB GLU 31 -4.443 15.232 -1.890 220 1HG GLU 31 1HG GLU 31 -4.482 12.748 -2.519 221 2HG GLU 31 2HG GLU 31 -3.866 12.419 -0.894 222 H GLY 32 H GLY 32 -1.371 14.933 -0.479 223 1HA GLY 32 1HA GLY 32 -0.923 17.739 -0.591 224 2HA GLY 32 2HA GLY 32 -0.084 16.624 0.501 225 H THR 33 H THR 33 1.638 15.205 -0.700 226 HA THR 33 HA THR 33 2.873 16.141 -3.059 227 HB THR 33 HB THR 33 3.625 18.074 -1.868 228 HG1 THR 33 HG1 THR 33 5.848 16.381 -1.617 229 1HG2 THR 33 1HG2 THR 33 4.891 17.998 0.243 230 2HG2 THR 33 2HG2 THR 33 3.242 17.405 0.469 231 3HG2 THR 33 3HG2 THR 33 4.591 16.256 0.389 232 HA PRO 34 HA PRO 34 4.547 12.049 -2.043 233 1HB PRO 34 1HB PRO 34 6.084 11.532 -4.173 234 2HB PRO 34 2HB PRO 34 4.320 11.665 -4.358 235 1HG PRO 34 1HG PRO 34 6.370 13.802 -4.875 236 2HG PRO 34 2HG PRO 34 5.001 13.278 -5.914 237 1HD PRO 34 1HD PRO 34 4.850 15.471 -4.271 238 2HD PRO 34 2HD PRO 34 3.438 14.426 -4.610 239 H ALA 35 H ALA 35 5.562 13.886 -0.423 240 HA ALA 35 HA ALA 35 8.529 13.837 -0.652 241 1HB ALA 35 1HB ALA 35 8.430 15.199 1.383 242 2HB ALA 35 2HB ALA 35 7.402 15.880 0.103 243 3HB ALA 35 3HB ALA 35 6.664 14.991 1.455 244 H LYS 36 H LYS 36 7.716 11.315 -0.763 245 HA LYS 36 HA LYS 36 7.414 9.341 0.000 246 1HB LYS 36 1HB LYS 36 8.905 8.501 1.705 247 2HB LYS 36 2HB LYS 36 9.742 9.533 0.563 248 1HG LYS 36 1HG LYS 36 10.073 11.211 2.147 249 2HG LYS 36 2HG LYS 36 8.787 10.646 3.231 250 1HD LYS 36 1HD LYS 36 11.172 8.891 2.574 251 2HD LYS 36 2HD LYS 36 11.252 10.091 3.883 252 1HE LYS 36 1HE LYS 36 9.585 9.082 5.151 253 2HE LYS 36 2HE LYS 36 8.857 8.221 3.818 254 1HZ LYS 36 1HZ LYS 36 10.082 6.724 5.228 255 2HZ LYS 36 2HZ LYS 36 10.516 6.711 3.666 256 3HZ LYS 36 3HZ LYS 36 11.510 7.438 4.781 257 H ILE 37 H ILE 37 6.427 7.792 1.533 258 HA ILE 37 HA ILE 37 4.459 9.258 3.292 259 HB ILE 37 HB ILE 37 4.140 6.490 2.158 260 1HG1 ILE 37 1HG1 ILE 37 4.370 7.840 0.239 261 2HG1 ILE 37 2HG1 ILE 37 2.672 7.424 0.460 262 1HG2 ILE 37 1HG2 ILE 37 1.752 6.936 2.619 263 2HG2 ILE 37 2HG2 ILE 37 2.742 7.053 4.089 264 3HG2 ILE 37 3HG2 ILE 37 2.157 8.514 3.313 265 1HD1 ILE 37 1HD1 ILE 37 2.440 9.642 -0.072 266 2HD1 ILE 37 2HD1 ILE 37 2.566 9.836 1.664 267 3HD1 ILE 37 3HD1 ILE 37 3.988 10.124 0.648 268 H ALA 38 H ALA 38 6.097 6.221 3.066 269 HA ALA 38 HA ALA 38 7.178 4.834 4.515 270 1HB ALA 38 1HB ALA 38 6.631 6.740 6.805 271 2HB ALA 38 2HB ALA 38 7.839 5.443 6.692 272 3HB ALA 38 3HB ALA 38 7.972 6.883 5.648 273 H ILE 39 H ILE 39 5.257 3.715 3.755 274 HA ILE 39 HA ILE 39 3.136 3.267 5.790 275 HB ILE 39 HB ILE 39 3.424 2.371 2.920 276 1HG1 ILE 39 1HG1 ILE 39 2.915 4.687 3.016 277 2HG1 ILE 39 2HG1 ILE 39 1.453 3.790 2.676 278 1HG2 ILE 39 1HG2 ILE 39 1.045 1.585 3.291 279 2HG2 ILE 39 2HG2 ILE 39 2.249 0.602 4.082 280 3HG2 ILE 39 3HG2 ILE 39 1.336 1.787 5.031 281 1HD1 ILE 39 1HD1 ILE 39 0.773 5.454 4.226 282 2HD1 ILE 39 2HD1 ILE 39 0.926 4.004 5.223 283 3HD1 ILE 39 3HD1 ILE 39 2.206 5.216 5.237 284 H ASP 40 H ASP 40 4.474 2.628 7.195 285 HA ASP 40 HA ASP 40 5.651 -0.127 6.984 286 1HB ASP 40 1HB ASP 40 5.896 1.568 9.436 287 2HB ASP 40 2HB ASP 40 6.972 0.290 8.799 288 H LYS 41 H LYS 41 5.232 -1.444 9.137 289 HA LYS 41 HA LYS 41 3.196 -1.928 10.455 290 1HB LYS 41 1HB LYS 41 4.532 -1.814 12.580 291 2HB LYS 41 2HB LYS 41 5.280 -2.604 11.207 292 1HG LYS 41 1HG LYS 41 7.033 -1.458 12.080 293 2HG LYS 41 2HG LYS 41 6.556 -0.443 10.750 294 1HD LYS 41 1HD LYS 41 5.143 0.477 13.101 295 2HD LYS 41 2HD LYS 41 6.787 0.134 13.594 296 1HE LYS 41 1HE LYS 41 5.816 2.198 11.571 297 2HE LYS 41 2HE LYS 41 6.685 2.433 13.075 298 1HZ LYS 41 1HZ LYS 41 7.765 1.673 10.463 299 2HZ LYS 41 2HZ LYS 41 8.282 2.729 11.502 300 3HZ LYS 41 3HZ LYS 41 8.546 1.134 11.826 301 H LYS 42 H LYS 42 1.709 -1.218 11.624 302 HA LYS 42 HA LYS 42 0.172 0.034 12.612 303 1HB LYS 42 1HB LYS 42 2.446 0.915 13.684 304 2HB LYS 42 2HB LYS 42 2.029 2.436 12.894 305 1HG LYS 42 1HG LYS 42 0.021 0.896 14.564 306 2HG LYS 42 2HG LYS 42 1.343 1.778 15.320 307 1HD LYS 42 1HD LYS 42 0.619 3.863 14.065 308 2HD LYS 42 2HD LYS 42 -0.820 2.971 13.518 309 1HE LYS 42 1HE LYS 42 -1.506 2.623 15.886 310 2HE LYS 42 2HE LYS 42 -0.023 3.414 16.450 311 1HZ LYS 42 1HZ LYS 42 -2.169 4.724 14.924 312 2HZ LYS 42 2HZ LYS 42 -1.866 4.900 16.529 313 3HZ LYS 42 3HZ LYS 42 -0.775 5.446 15.430 314 H SER 43 H SER 43 2.033 2.220 10.472 315 HA SER 43 HA SER 43 -0.153 3.909 9.761 316 1HB SER 43 1HB SER 43 2.277 4.403 9.427 317 2HB SER 43 2HB SER 43 2.310 3.263 8.077 318 HG SER 43 HG SER 43 1.945 5.426 7.412 319 H ALA 44 H ALA 44 1.334 1.344 7.777 320 HA ALA 44 HA ALA 44 -0.377 0.676 5.823 321 1HB ALA 44 1HB ALA 44 0.365 -1.620 6.226 322 2HB ALA 44 2HB ALA 44 1.711 -0.437 6.363 323 3HB ALA 44 3HB ALA 44 0.994 -1.151 7.820 324 H HIS 45 H HIS 45 -0.783 -0.504 9.150 325 HA HIS 45 HA HIS 45 -3.470 -1.569 8.488 326 1HB HIS 45 1HB HIS 45 -1.469 -2.024 10.718 327 2HB HIS 45 2HB HIS 45 -3.151 -2.522 10.878 328 HD1 HIS 45 HND HIS 45 -4.024 -4.528 9.482 329 HD2 HIS 45 HD HIS 45 0.026 -3.550 8.928 330 HE1 HIS 45 HE HIS 45 -2.940 -6.499 8.268 331 H LYS 46 H LYS 46 -2.804 1.397 8.824 332 HA LYS 46 HA LYS 46 -5.077 1.961 10.688 333 1HB LYS 46 1HB LYS 46 -2.994 2.851 11.533 334 2HB LYS 46 2HB LYS 46 -2.640 3.670 10.016 335 1HG LYS 46 1HG LYS 46 -5.016 4.295 11.818 336 2HG LYS 46 2HG LYS 46 -3.442 5.120 11.854 337 1HD LYS 46 1HD LYS 46 -3.790 5.642 9.374 338 2HD LYS 46 2HD LYS 46 -5.479 5.125 9.630 339 1HE LYS 46 1HE LYS 46 -5.723 6.844 11.403 340 2HE LYS 46 2HE LYS 46 -4.103 7.456 10.999 341 1HZ LYS 46 1HZ LYS 46 -4.915 7.878 8.765 342 2HZ LYS 46 2HZ LYS 46 -6.363 7.223 9.107 343 3HZ LYS 46 3HZ LYS 46 -5.916 8.633 9.839 344 H ASP 47 H ASP 47 -3.326 3.415 7.899 345 HA ASP 47 HA ASP 47 -5.664 3.300 6.168 346 1HB ASP 47 1HB ASP 47 -4.822 5.984 7.345 347 2HB ASP 47 2HB ASP 47 -5.474 5.849 5.726 348 H ALA 48 H ALA 48 -4.130 2.114 4.953 349 HA ALA 48 HA ALA 48 -2.712 3.966 3.188 350 1HB ALA 48 1HB ALA 48 -1.033 1.649 4.119 351 2HB ALA 48 2HB ALA 48 -0.575 3.200 3.419 352 3HB ALA 48 3HB ALA 48 -1.076 3.087 5.127 353 H CYS 49 H CYS 49 -2.576 0.466 3.763 354 HA CYS 49 HA CYS 49 -3.258 -0.074 0.957 355 1HB CYS 49 1HB CYS 49 -2.443 -2.025 3.087 356 2HB CYS 49 2HB CYS 49 -2.268 -2.188 1.347 357 H LYS 50 H LYS 50 -4.211 -1.302 4.154 358 HA LYS 50 HA LYS 50 -6.364 -2.868 3.088 359 1HB LYS 50 1HB LYS 50 -4.753 -3.286 5.058 360 2HB LYS 50 2HB LYS 50 -5.771 -2.213 6.015 361 1HG LYS 50 1HG LYS 50 -7.682 -3.750 5.693 362 2HG LYS 50 2HG LYS 50 -6.695 -4.758 4.604 363 1HD LYS 50 1HD LYS 50 -5.033 -5.046 6.504 364 2HD LYS 50 2HD LYS 50 -6.184 -4.258 7.581 365 1HE LYS 50 1HE LYS 50 -6.636 -6.850 5.992 366 2HE LYS 50 2HE LYS 50 -6.203 -6.765 7.701 367 1HZ LYS 50 1HZ LYS 50 -8.698 -5.727 6.535 368 2HZ LYS 50 2HZ LYS 50 -8.536 -7.111 7.404 369 3HZ LYS 50 3HZ LYS 50 -8.284 -5.657 8.129 370 H THR 51 H THR 51 -6.859 -0.285 2.341 371 HA THR 51 HA THR 51 -9.305 0.541 3.753 372 HB THR 51 HB THR 51 -7.887 2.067 4.693 373 HG1 THR 51 HG1 THR 51 -8.611 3.941 3.888 374 1HG2 THR 51 1HG2 THR 51 -6.221 3.437 3.609 375 2HG2 THR 51 2HG2 THR 51 -5.824 1.725 3.431 376 3HG2 THR 51 3HG2 THR 51 -6.471 2.646 2.058 377 H CYS 52 H CYS 52 -7.508 1.714 0.757 378 HA CYS 52 HA CYS 52 -9.758 1.708 -0.888 379 1HB CYS 52 1HB CYS 52 -7.570 2.806 -1.247 380 2HB CYS 52 2HB CYS 52 -6.829 1.188 -1.332 381 H HIS 53 H HIS 53 -7.299 -0.831 -0.146 382 HA HIS 53 HA HIS 53 -8.164 -2.765 -1.983 383 1HB HIS 53 1HB HIS 53 -6.798 -2.937 0.714 384 2HB HIS 53 2HB HIS 53 -7.371 -4.379 -0.110 385 HD1 HIS 53 HND HIS 53 -5.396 -5.519 -1.137 386 HD2 HIS 53 HD HIS 53 -5.364 -1.365 -1.711 387 HE1 HIS 53 HE HIS 53 -3.561 -5.027 -2.809 388 H LYS 54 H LYS 54 -9.855 -1.698 0.990 389 HA LYS 54 HA LYS 54 -11.515 -4.077 1.158 390 1HB LYS 54 1HB LYS 54 -12.090 -1.282 2.192 391 2HB LYS 54 2HB LYS 54 -12.852 -2.800 2.674 392 1HG LYS 54 1HG LYS 54 -10.586 -3.632 3.422 393 2HG LYS 54 2HG LYS 54 -9.940 -2.002 3.177 394 1HD LYS 54 1HD LYS 54 -12.307 -2.674 4.959 395 2HD LYS 54 2HD LYS 54 -10.624 -2.576 5.527 396 1HE LYS 54 1HE LYS 54 -10.474 -0.293 5.329 397 2HE LYS 54 2HE LYS 54 -11.737 -0.162 4.090 398 1HZ LYS 54 1HZ LYS 54 -12.168 -0.720 6.946 399 2HZ LYS 54 2HZ LYS 54 -12.411 0.715 6.186 400 3HZ LYS 54 3HZ LYS 54 -13.350 -0.577 5.802 401 H SER 55 H SER 55 -11.585 -1.021 -0.651 402 HA SER 55 HA SER 55 -14.395 -1.068 -1.336 403 1HB SER 55 1HB SER 55 -12.798 0.928 -1.479 404 2HB SER 55 2HB SER 55 -12.103 0.177 -2.930 405 HG SER 55 HG SER 55 -13.756 1.624 -3.484 406 H ASN 56 H ASN 56 -11.384 -2.163 -2.806 407 HA ASN 56 HA ASN 56 -12.520 -3.362 -5.173 408 1HB ASN 56 1HB ASN 56 -9.853 -3.848 -3.761 409 2HB ASN 56 2HB ASN 56 -10.301 -4.442 -5.363 410 1HD2 ASN 56 1HD2 ASN 56 -9.686 -1.360 -3.474 411 2HD2 ASN 56 2HD2 ASN 56 -9.372 -0.449 -4.924 412 H ASN 57 H ASN 57 -11.409 -4.651 -2.050 413 HA ASN 57 HA ASN 57 -12.082 -6.282 -0.740 414 1HB ASN 57 1HB ASN 57 -14.422 -5.673 -1.602 415 2HB ASN 57 2HB ASN 57 -14.294 -7.086 -2.667 416 1HD2 ASN 57 1HD2 ASN 57 -16.374 -7.364 -1.177 417 2HD2 ASN 57 2HD2 ASN 57 -16.087 -8.353 0.246 418 H GLY 58 H GLY 58 -12.163 -8.746 -0.598 419 1HA GLY 58 1HA GLY 58 -11.803 -10.665 -2.358 420 2HA GLY 58 2HA GLY 58 -10.220 -9.914 -2.533 421 HA PRO 59 HA PRO 59 -9.139 -12.366 1.019 422 1HB PRO 59 1HB PRO 59 -6.778 -11.221 1.859 423 2HB PRO 59 2HB PRO 59 -6.908 -11.966 0.241 424 1HG PRO 59 1HG PRO 59 -7.252 -9.031 0.944 425 2HG PRO 59 2HG PRO 59 -6.177 -9.729 -0.304 426 1HD PRO 59 1HD PRO 59 -8.663 -8.772 -0.918 427 2HD PRO 59 2HD PRO 59 -8.011 -10.235 -1.718 428 H THR 60 H THR 60 -8.328 -12.113 3.318 429 HA THR 60 HA THR 60 -10.762 -10.828 4.439 430 HB THR 60 HB THR 60 -11.075 -12.759 2.883 431 HG1 THR 60 HG1 THR 60 -12.724 -13.082 3.859 432 1HG2 THR 60 1HG2 THR 60 -9.142 -14.198 3.511 433 2HG2 THR 60 2HG2 THR 60 -9.951 -14.537 5.069 434 3HG2 THR 60 3HG2 THR 60 -10.706 -15.017 3.549 435 H LYS 61 H LYS 61 -8.131 -13.177 5.128 436 HA LYS 61 HA LYS 61 -7.752 -11.862 7.789 437 1HB LYS 61 1HB LYS 61 -6.887 -14.625 6.828 438 2HB LYS 61 2HB LYS 61 -6.353 -13.833 8.329 439 1HG LYS 61 1HG LYS 61 -8.772 -13.632 9.002 440 2HG LYS 61 2HG LYS 61 -9.209 -14.580 7.570 441 1HD LYS 61 1HD LYS 61 -7.806 -16.463 8.384 442 2HD LYS 61 2HD LYS 61 -7.310 -15.493 9.788 443 1HE LYS 61 1HE LYS 61 -9.704 -15.363 10.526 444 2HE LYS 61 2HE LYS 61 -10.170 -16.387 9.158 445 1HZ LYS 61 1HZ LYS 61 -9.933 -17.643 11.175 446 2HZ LYS 61 2HZ LYS 61 -8.799 -18.134 10.093 447 3HZ LYS 61 3HZ LYS 61 -8.371 -17.175 11.360 448 H CYS 62 H CYS 62 -5.223 -13.659 6.173 449 HA CYS 62 HA CYS 62 -3.866 -11.102 5.511 450 1HB CYS 62 1HB CYS 62 -2.428 -13.605 6.321 451 2HB CYS 62 2HB CYS 62 -1.858 -11.926 6.364 452 H GLY 63 H GLY 63 -1.627 -12.293 4.280 453 1HA GLY 63 1HA GLY 63 -1.004 -13.802 2.586 454 2HA GLY 63 2HA GLY 63 -2.690 -14.029 2.107 455 H GLY 64 H GLY 64 -3.429 -11.294 1.964 456 1HA GLY 64 1HA GLY 64 -3.138 -10.588 -0.627 457 2HA GLY 64 2HA GLY 64 -3.327 -9.409 0.685 458 H CYS 65 H CYS 65 -1.018 -9.356 1.957 459 HA CYS 65 HA CYS 65 0.619 -7.913 -0.082 460 1HB CYS 65 1HB CYS 65 0.026 -7.212 2.763 461 2HB CYS 65 2HB CYS 65 0.674 -6.132 1.517 462 H HIS 66 H HIS 66 0.825 -9.411 3.186 463 HA HIS 66 HA HIS 66 3.720 -9.519 3.207 464 1HB HIS 66 1HB HIS 66 1.673 -11.203 4.714 465 2HB HIS 66 2HB HIS 66 3.392 -11.165 5.022 466 HD1 HIS 66 HND HIS 66 4.368 -8.616 5.835 467 HD2 HIS 66 HD HIS 66 0.192 -9.206 5.846 468 HE1 HIS 66 HE HIS 66 3.359 -6.756 7.182 469 H ILE 67 H ILE 67 4.937 -10.824 1.922 470 HA ILE 67 HA ILE 67 3.616 -13.020 0.440 471 HB ILE 67 HB ILE 67 6.491 -12.064 0.330 472 1HG1 ILE 67 1HG1 ILE 67 5.081 -10.185 -0.272 473 2HG1 ILE 67 2HG1 ILE 67 5.841 -10.852 -1.712 474 1HG2 ILE 67 1HG2 ILE 67 6.422 -13.166 -1.924 475 2HG2 ILE 67 2HG2 ILE 67 6.248 -14.309 -0.590 476 3HG2 ILE 67 3HG2 ILE 67 4.825 -13.830 -1.523 477 1HD1 ILE 67 1HD1 ILE 67 3.691 -12.011 -2.287 478 2HD1 ILE 67 2HD1 ILE 67 2.938 -11.267 -0.856 479 3HD1 ILE 67 3HD1 ILE 67 3.529 -10.256 -2.174 480 H LYS 68 H LYS 68 3.079 -13.880 2.540 481 HA LYS 68 HA LYS 68 3.196 -16.102 3.294 482 1HB LYS 68 1HB LYS 68 5.537 -16.519 2.487 483 2HB LYS 68 2HB LYS 68 6.132 -15.646 3.914 484 1HG LYS 68 1HG LYS 68 6.346 -17.979 4.252 485 2HG LYS 68 2HG LYS 68 5.154 -17.361 5.373 486 1HD LYS 68 1HD LYS 68 3.763 -18.239 2.950 487 2HD LYS 68 2HD LYS 68 4.964 -19.454 3.340 488 1HE LYS 68 1HE LYS 68 2.895 -20.057 4.447 489 2HE LYS 68 2HE LYS 68 4.095 -19.608 5.668 490 1HZ LYS 68 1HZ LYS 68 3.025 -17.383 5.716 491 2HZ LYS 68 2HZ LYS 68 1.888 -17.905 4.688 492 3HZ LYS 68 3HZ LYS 68 2.009 -18.586 6.182 493 HHA HEC 69 HCM HEC 69 8.197 7.063 -1.712 494 HHB HEC 69 HDM HEC 69 6.777 10.589 -6.800 495 HHC HEC 69 HAM HEC 69 1.528 6.966 -7.677 496 HHD HEC 69 HBM HEC 69 2.356 4.704 -1.751 497 1HMA HEC 69 HM81 HEC 69 9.074 10.560 -6.548 498 2HMA HEC 69 HM82 HEC 69 8.800 11.670 -5.174 499 3HMA HEC 69 HM83 HEC 69 10.170 10.540 -5.179 500 1HAA HEC 69 HP71 HEC 69 10.390 9.842 -3.085 501 2HAA HEC 69 HP72 HEC 69 9.628 8.852 -1.856 502 1HBA HEC 69 HP73 HEC 69 11.639 7.756 -2.523 503 2HBA HEC 69 HP74 HEC 69 10.290 6.803 -3.153 504 1HMB HEC 69 HM11 HEC 69 4.118 11.432 -9.217 505 2HMB HEC 69 HM12 HEC 69 5.584 11.567 -8.292 506 3HMB HEC 69 HM13 HEC 69 5.554 10.502 -9.716 507 HAB HEC 69 HT2A HEC 69 1.583 8.426 -9.195 508 1HBB HEC 69 HT21 HEC 69 3.234 10.313 -10.870 509 2HBB HEC 69 HT22 HEC 69 3.341 8.545 -10.973 510 3HBB HEC 69 HT23 HEC 69 1.812 9.366 -11.307 511 1HMC HEC 69 HM31 HEC 69 -0.583 6.481 -6.613 512 2HMC HEC 69 HM32 HEC 69 0.009 4.904 -7.196 513 3HMC HEC 69 HM33 HEC 69 -1.078 4.997 -5.799 514 HAC HEC 69 HT4A HEC 69 0.404 4.326 -2.270 515 1HBC HEC 69 HT41 HEC 69 -1.064 3.134 -4.595 516 2HBC HEC 69 HT42 HEC 69 0.471 2.461 -4.006 517 3HBC HEC 69 HT43 HEC 69 -0.939 2.565 -2.939 518 1HMD HEC 69 HM51 HEC 69 3.926 3.447 -0.259 519 2HMD HEC 69 HM52 HEC 69 4.851 4.226 1.040 520 3HMD HEC 69 HM53 HEC 69 3.266 4.868 0.562 521 1HAD HEC 69 HP61 HEC 69 7.035 4.374 0.487 522 2HAD HEC 69 HP62 HEC 69 8.063 4.929 -0.807 523 1HBD HEC 69 HP63 HEC 69 7.896 7.199 0.401 524 2HBD HEC 69 HP64 HEC 69 7.354 6.221 1.772 525 HHA HEC 70 HCM HEC 70 -3.141 -5.046 -7.089 526 HHB HEC 70 HDM HEC 70 0.270 -4.509 -1.697 527 HHC HEC 70 HAM HEC 70 -2.351 1.244 -0.673 528 HHD HEC 70 HBM HEC 70 -6.588 -0.139 -5.171 529 1HMA HEC 70 HM81 HEC 70 -0.012 -7.687 -3.728 530 2HMA HEC 70 HM82 HEC 70 1.296 -6.473 -3.741 531 3HMA HEC 70 HM83 HEC 70 0.236 -6.681 -2.321 532 1HAA HEC 70 HP71 HEC 70 -1.384 -6.648 -7.082 533 2HAA HEC 70 HP72 HEC 70 -0.640 -7.643 -5.843 534 1HBA HEC 70 HP73 HEC 70 -3.617 -7.138 -6.214 535 2HBA HEC 70 HP74 HEC 70 -2.736 -8.630 -6.519 536 1HMB HEC 70 HM11 HEC 70 0.345 -3.544 0.934 537 2HMB HEC 70 HM12 HEC 70 1.607 -3.376 -0.301 538 3HMB HEC 70 HM13 HEC 70 1.419 -2.128 0.931 539 HAB HEC 70 HT2A HEC 70 -1.024 0.910 0.830 540 1HBB HEC 70 HT21 HEC 70 1.767 0.088 1.250 541 2HBB HEC 70 HT22 HEC 70 1.358 0.753 -0.349 542 3HBB HEC 70 HT23 HEC 70 1.055 1.700 1.103 543 1HMC HEC 70 HM31 HEC 70 -3.389 3.299 -1.401 544 2HMC HEC 70 HM32 HEC 70 -5.013 3.721 -1.945 545 3HMC HEC 70 HM33 HEC 70 -4.815 2.643 -0.565 546 HAC HEC 70 HT4A HEC 70 -6.585 1.865 -4.953 547 1HBC HEC 70 HT41 HEC 70 -5.325 3.935 -4.213 548 2HBC HEC 70 HT42 HEC 70 -6.861 3.871 -5.106 549 3HBC HEC 70 HT43 HEC 70 -6.865 4.231 -3.351 550 1HMD HEC 70 HM51 HEC 70 -7.742 -1.646 -7.440 551 2HMD HEC 70 HM52 HEC 70 -6.811 -0.144 -7.231 552 3HMD HEC 70 HM53 HEC 70 -6.521 -1.166 -8.638 553 1HAD HEC 70 HP61 HEC 70 -5.765 -3.247 -9.240 554 2HAD HEC 70 HP62 HEC 70 -4.219 -4.035 -8.979 555 1HBD HEC 70 HP63 HEC 70 -5.367 -5.799 -7.648 556 2HBD HEC 70 HP64 HEC 70 -6.911 -4.977 -7.931 557 HHA HEC 71 HCM HEC 71 3.507 -3.883 8.818 558 HHB HEC 71 HDM HEC 71 0.555 -8.924 11.344 559 HHC HEC 71 HAM HEC 71 -3.230 -9.227 6.174 560 HHD HEC 71 HBM HEC 71 -0.124 -4.373 3.622 561 1HMA HEC 71 HM81 HEC 71 3.239 -6.876 13.086 562 2HMA HEC 71 HM82 HEC 71 1.655 -7.665 13.059 563 3HMA HEC 71 HM83 HEC 71 3.072 -8.476 12.339 564 1HAA HEC 71 HP71 HEC 71 4.831 -4.723 10.288 565 2HAA HEC 71 HP72 HEC 71 4.588 -5.274 11.947 566 1HBA HEC 71 HP73 HEC 71 5.038 -7.562 11.260 567 2HBA HEC 71 HP74 HEC 71 5.032 -7.072 9.553 568 1HMB HEC 71 HM11 HEC 71 -0.288 -11.080 11.124 569 2HMB HEC 71 HM12 HEC 71 -1.805 -10.387 11.741 570 3HMB HEC 71 HM13 HEC 71 -1.829 -11.774 10.625 571 HAB HEC 71 HT2A HEC 71 -4.104 -10.386 7.715 572 1HBB HEC 71 HT21 HEC 71 -4.649 -9.526 9.919 573 2HBB HEC 71 HT22 HEC 71 -5.391 -11.091 9.546 574 3HBB HEC 71 HT23 HEC 71 -4.014 -11.013 10.655 575 1HMC HEC 71 HM31 HEC 71 -4.672 -7.993 4.167 576 2HMC HEC 71 HM32 HEC 71 -3.675 -8.076 2.690 577 3HMC HEC 71 HM33 HEC 71 -3.457 -9.274 3.952 578 HAC HEC 71 HT4A HEC 71 -1.844 -4.585 2.523 579 1HBC HEC 71 HT41 HEC 71 -4.213 -4.639 3.152 580 2HBC HEC 71 HT42 HEC 71 -3.883 -4.588 1.412 581 3HBC HEC 71 HT43 HEC 71 -4.420 -6.094 2.156 582 1HMD HEC 71 HM51 HEC 71 2.984 -2.483 3.676 583 2HMD HEC 71 HM52 HEC 71 1.389 -2.979 3.115 584 3HMD HEC 71 HM53 HEC 71 1.545 -1.614 4.214 585 1HAD HEC 71 HP61 HEC 71 3.700 -1.636 5.682 586 2HAD HEC 71 HP62 HEC 71 3.702 -2.023 7.394 587 1HBD HEC 71 HP63 HEC 71 5.191 -3.770 5.429 588 2HBD HEC 71 HP64 HEC 71 5.893 -2.254 6.019 Start of MODEL 34 1 1H ALA 1 1H ALA 1 10.479 3.570 -8.303 2 2H ALA 1 2H ALA 1 12.140 3.487 -8.496 3 3H ALA 1 3H ALA 1 11.150 4.027 -9.716 4 HA ALA 1 HA ALA 1 11.573 1.870 -10.360 5 1HB ALA 1 1HB ALA 1 12.568 1.140 -8.189 6 2HB ALA 1 2HB ALA 1 10.936 1.063 -7.484 7 3HB ALA 1 3HB ALA 1 11.388 -0.021 -8.819 8 H ASP 2 H ASP 2 9.738 0.168 -10.851 9 HA ASP 2 HA ASP 2 7.206 1.585 -10.925 10 1HB ASP 2 1HB ASP 2 6.723 -0.183 -12.586 11 2HB ASP 2 2HB ASP 2 8.250 0.605 -12.952 12 H VAL 3 H VAL 3 8.634 -1.516 -9.892 13 HA VAL 3 HA VAL 3 6.576 -1.798 -7.717 14 HB VAL 3 HB VAL 3 8.160 -3.832 -9.337 15 1HG1 VAL 3 1HG1 VAL 3 8.295 -4.613 -7.016 16 2HG1 VAL 3 2HG1 VAL 3 6.540 -4.394 -6.819 17 3HG1 VAL 3 3HG1 VAL 3 7.170 -5.608 -7.942 18 1HG2 VAL 3 1HG2 VAL 3 5.170 -3.510 -8.807 19 2HG2 VAL 3 2HG2 VAL 3 6.003 -3.039 -10.302 20 3HG2 VAL 3 3HG2 VAL 3 5.923 -4.743 -9.834 21 H VAL 4 H VAL 4 7.525 -2.386 -5.545 22 HA VAL 4 HA VAL 4 10.373 -2.590 -5.351 23 HB VAL 4 HB VAL 4 10.013 -0.063 -5.471 24 1HG1 VAL 4 1HG1 VAL 4 8.710 -0.490 -2.735 25 2HG1 VAL 4 2HG1 VAL 4 9.210 1.071 -3.414 26 3HG1 VAL 4 3HG1 VAL 4 7.934 0.150 -4.219 27 1HG2 VAL 4 1HG2 VAL 4 11.665 0.460 -3.932 28 2HG2 VAL 4 2HG2 VAL 4 11.159 -0.754 -2.762 29 3HG2 VAL 4 3HG2 VAL 4 11.973 -1.253 -4.267 30 H THR 5 H THR 5 10.759 -2.582 -2.667 31 HA THR 5 HA THR 5 8.352 -3.113 -1.236 32 HB THR 5 HB THR 5 8.875 -5.402 -2.411 33 HG1 THR 5 HG1 THR 5 7.986 -5.182 -0.360 34 1HG2 THR 5 1HG2 THR 5 11.349 -5.198 -2.558 35 2HG2 THR 5 2HG2 THR 5 11.458 -5.345 -0.791 36 3HG2 THR 5 3HG2 THR 5 10.838 -6.692 -1.754 37 H TYR 6 H TYR 6 8.674 -3.744 0.813 38 HA TYR 6 HA TYR 6 11.137 -2.751 2.160 39 1HB TYR 6 1HB TYR 6 8.219 -2.197 2.820 40 2HB TYR 6 2HB TYR 6 9.515 -2.078 4.009 41 HD1 TYR 6 HD1 TYR 6 8.738 -0.863 0.494 42 HD2 TYR 6 HD2 TYR 6 10.410 0.048 4.361 43 HE1 TYR 6 HE1 TYR 6 9.314 1.355 -0.292 44 HE2 TYR 6 HE2 TYR 6 10.968 2.306 3.547 45 HH TYR 6 HH TYR 6 10.199 3.740 1.743 46 H GLU 7 H GLU 7 12.000 -4.687 2.608 47 HA GLU 7 HA GLU 7 10.600 -6.901 3.765 48 1HB GLU 7 1HB GLU 7 13.555 -6.204 3.833 49 2HB GLU 7 2HB GLU 7 12.824 -7.779 4.146 50 1HG GLU 7 1HG GLU 7 13.436 -8.101 1.960 51 2HG GLU 7 2HG GLU 7 11.829 -7.429 1.667 52 H ASN 8 H ASN 8 9.930 -7.172 5.799 53 HA ASN 8 HA ASN 8 10.953 -5.340 7.944 54 1HB ASN 8 1HB ASN 8 8.146 -6.448 7.834 55 2HB ASN 8 2HB ASN 8 8.767 -5.044 8.722 56 1HD2 ASN 8 1HD2 ASN 8 7.773 -6.331 5.612 57 2HD2 ASN 8 2HD2 ASN 8 7.823 -4.820 4.726 58 H LYS 9 H LYS 9 9.123 -6.959 9.810 59 HA LYS 9 HA LYS 9 11.066 -9.159 10.291 60 1HB LYS 9 1HB LYS 9 9.961 -7.256 11.990 61 2HB LYS 9 2HB LYS 9 8.813 -8.556 12.160 62 1HG LYS 9 1HG LYS 9 10.393 -8.941 13.859 63 2HG LYS 9 2HG LYS 9 10.747 -10.125 12.600 64 1HD LYS 9 1HD LYS 9 12.853 -9.262 13.352 65 2HD LYS 9 2HD LYS 9 12.584 -8.561 11.754 66 1HE LYS 9 1HE LYS 9 11.730 -6.445 12.904 67 2HE LYS 9 2HE LYS 9 12.144 -7.187 14.455 68 1HZ LYS 9 1HZ LYS 9 13.842 -5.717 13.660 69 2HZ LYS 9 2HZ LYS 9 14.440 -7.249 13.688 70 3HZ LYS 9 3HZ LYS 9 14.006 -6.554 12.258 71 H LYS 10 H LYS 10 7.633 -8.389 10.044 72 HA LYS 10 HA LYS 10 6.511 -10.962 10.026 73 1HB LYS 10 1HB LYS 10 5.145 -9.041 10.381 74 2HB LYS 10 2HB LYS 10 5.762 -8.254 8.932 75 1HG LYS 10 1HG LYS 10 3.623 -8.696 8.482 76 2HG LYS 10 2HG LYS 10 4.501 -9.860 7.501 77 1HD LYS 10 1HD LYS 10 3.068 -10.409 10.147 78 2HD LYS 10 2HD LYS 10 2.358 -10.655 8.554 79 1HE LYS 10 1HE LYS 10 4.632 -12.234 9.809 80 2HE LYS 10 2HE LYS 10 2.985 -12.778 9.482 81 1HZ LYS 10 1HZ LYS 10 3.597 -12.438 7.004 82 2HZ LYS 10 2HZ LYS 10 5.129 -12.281 7.552 83 3HZ LYS 10 3HZ LYS 10 4.307 -13.646 7.732 84 H GLY 11 H GLY 11 7.507 -8.895 7.177 85 1HA GLY 11 1HA GLY 11 8.396 -11.043 5.600 86 2HA GLY 11 2HA GLY 11 6.673 -10.770 5.232 87 H ASN 12 H ASN 12 7.500 -10.166 3.089 88 HA ASN 12 HA ASN 12 8.788 -7.482 2.906 89 1HB ASN 12 1HB ASN 12 8.424 -9.449 0.638 90 2HB ASN 12 2HB ASN 12 9.541 -8.092 0.757 91 1HD2 ASN 12 1HD2 ASN 12 10.447 -8.856 3.515 92 2HD2 ASN 12 2HD2 ASN 12 11.471 -10.261 3.272 93 H VAL 13 H VAL 13 7.463 -5.817 2.372 94 HA VAL 13 HA VAL 13 4.636 -6.399 1.681 95 HB VAL 13 HB VAL 13 6.187 -3.858 2.289 96 1HG1 VAL 13 1HG1 VAL 13 3.170 -4.136 1.976 97 2HG1 VAL 13 2HG1 VAL 13 4.126 -2.652 2.256 98 3HG1 VAL 13 3HG1 VAL 13 4.198 -3.461 0.714 99 1HG2 VAL 13 1HG2 VAL 13 5.727 -5.505 4.188 100 2HG2 VAL 13 2HG2 VAL 13 5.068 -3.883 4.410 101 3HG2 VAL 13 3HG2 VAL 13 4.004 -5.225 3.921 102 H THR 14 H THR 14 4.397 -6.916 -0.570 103 HA THR 14 HA THR 14 6.049 -5.717 -2.596 104 HB THR 14 HB THR 14 3.215 -6.811 -2.833 105 HG1 THR 14 HG1 THR 14 5.780 -7.998 -3.068 106 1HG2 THR 14 1HG2 THR 14 3.839 -5.522 -4.846 107 2HG2 THR 14 2HG2 THR 14 5.403 -6.361 -4.927 108 3HG2 THR 14 3HG2 THR 14 3.889 -7.252 -5.192 109 H PHE 15 H PHE 15 6.207 -3.518 -2.976 110 HA PHE 15 HA PHE 15 3.753 -1.822 -2.859 111 1HB PHE 15 1HB PHE 15 6.698 -1.359 -3.156 112 2HB PHE 15 2HB PHE 15 5.563 -0.175 -3.790 113 HD1 PHE 15 HD1 PHE 15 5.545 -2.162 -0.591 114 HD2 PHE 15 HD2 PHE 15 5.803 1.695 -2.502 115 HE1 PHE 15 HE1 PHE 15 6.173 -1.139 1.561 116 HE2 PHE 15 HE2 PHE 15 6.664 2.642 -0.448 117 HZ PHE 15 HZ PHE 15 7.047 1.154 1.527 118 H ASP 16 H ASP 16 2.765 -1.268 -4.632 119 HA ASP 16 HA ASP 16 3.827 -2.022 -7.314 120 1HB ASP 16 1HB ASP 16 1.415 -2.686 -5.796 121 2HB ASP 16 2HB ASP 16 0.935 -1.855 -7.241 122 H HIS 17 H HIS 17 4.976 0.057 -7.242 123 HA HIS 17 HA HIS 17 3.621 2.462 -6.531 124 1HB HIS 17 1HB HIS 17 6.298 1.656 -7.043 125 2HB HIS 17 2HB HIS 17 5.983 2.895 -8.246 126 HD1 HIS 17 HND HIS 17 7.640 2.856 -5.209 127 HD2 HIS 17 HD HIS 17 4.314 5.002 -6.616 128 HE1 HIS 17 HE HIS 17 7.439 4.953 -3.757 129 H LYS 18 H LYS 18 4.890 1.440 -9.676 130 HA LYS 18 HA LYS 18 3.585 3.294 -11.372 131 1HB LYS 18 1HB LYS 18 5.096 2.334 -12.613 132 2HB LYS 18 2HB LYS 18 5.128 0.880 -11.637 133 1HG LYS 18 1HG LYS 18 2.774 1.146 -13.489 134 2HG LYS 18 2HG LYS 18 4.365 0.943 -14.196 135 1HD LYS 18 1HD LYS 18 4.820 -1.103 -13.271 136 2HD LYS 18 2HD LYS 18 3.764 -0.864 -11.903 137 1HE LYS 18 1HE LYS 18 2.994 -2.611 -13.573 138 2HE LYS 18 2HE LYS 18 1.788 -1.399 -13.121 139 1HZ LYS 18 1HZ LYS 18 3.372 -1.163 -15.588 140 2HZ LYS 18 2HZ LYS 18 1.877 -1.864 -15.494 141 3HZ LYS 18 3HZ LYS 18 2.021 -0.308 -15.127 142 H ALA 19 H ALA 19 2.602 0.000 -10.534 143 HA ALA 19 HA ALA 19 0.145 -0.244 -11.775 144 1HB ALA 19 1HB ALA 19 -0.425 -1.652 -9.716 145 2HB ALA 19 2HB ALA 19 1.075 -2.062 -10.601 146 3HB ALA 19 3HB ALA 19 1.157 -1.080 -9.125 147 H HIS 20 H HIS 20 0.486 0.994 -8.333 148 HA HIS 20 HA HIS 20 -2.286 1.739 -8.291 149 1HB HIS 20 1HB HIS 20 0.014 2.714 -6.573 150 2HB HIS 20 2HB HIS 20 -1.691 3.115 -6.316 151 HD1 HIS 20 HND HIS 20 0.725 0.204 -5.935 152 HD2 HIS 20 HD HIS 20 -3.251 1.272 -5.140 153 HE1 HIS 20 HE HIS 20 -0.171 -1.501 -4.256 154 H ALA 21 H ALA 21 0.674 3.357 -9.384 155 HA ALA 21 HA ALA 21 -0.493 5.977 -9.550 156 1HB ALA 21 1HB ALA 21 1.928 5.604 -9.524 157 2HB ALA 21 2HB ALA 21 1.849 4.905 -11.151 158 3HB ALA 21 3HB ALA 21 1.404 6.598 -10.901 159 H GLU 22 H GLU 22 -0.472 3.259 -11.831 160 HA GLU 22 HA GLU 22 -1.664 4.877 -13.992 161 1HB GLU 22 1HB GLU 22 -1.748 2.824 -15.304 162 2HB GLU 22 2HB GLU 22 -0.124 3.168 -14.692 163 1HG GLU 22 1HG GLU 22 -0.382 1.504 -12.956 164 2HG GLU 22 2HG GLU 22 -2.047 1.160 -13.451 165 H LYS 23 H LYS 23 -2.731 2.360 -11.676 166 HA LYS 23 HA LYS 23 -5.419 2.262 -12.667 167 1HB LYS 23 1HB LYS 23 -4.266 1.511 -9.951 168 2HB LYS 23 2HB LYS 23 -5.871 1.062 -10.538 169 1HG LYS 23 1HG LYS 23 -3.219 0.180 -11.798 170 2HG LYS 23 2HG LYS 23 -4.235 -0.765 -10.719 171 1HD LYS 23 1HD LYS 23 -6.056 -0.678 -12.321 172 2HD LYS 23 2HD LYS 23 -5.091 0.241 -13.484 173 1HE LYS 23 1HE LYS 23 -3.986 -2.375 -12.406 174 2HE LYS 23 2HE LYS 23 -5.313 -2.439 -13.558 175 1HZ LYS 23 1HZ LYS 23 -3.982 -1.212 -15.124 176 2HZ LYS 23 2HZ LYS 23 -2.694 -1.122 -14.132 177 3HZ LYS 23 3HZ LYS 23 -3.206 -2.570 -14.643 178 H LEU 24 H LEU 24 -4.005 4.024 -9.806 179 HA LEU 24 HA LEU 24 -6.541 5.508 -9.524 180 1HB LEU 24 1HB LEU 24 -3.939 5.667 -7.949 181 2HB LEU 24 2HB LEU 24 -5.448 6.511 -7.643 182 HG LEU 24 HG LEU 24 -4.890 4.615 -6.182 183 1HD1 LEU 24 1HD1 LEU 24 -7.138 5.524 -6.273 184 2HD1 LEU 24 2HD1 LEU 24 -7.549 4.484 -7.661 185 3HD1 LEU 24 3HD1 LEU 24 -7.238 3.762 -6.072 186 1HD2 LEU 24 1HD2 LEU 24 -5.749 2.700 -8.338 187 2HD2 LEU 24 2HD2 LEU 24 -4.074 2.973 -7.775 188 3HD2 LEU 24 3HD2 LEU 24 -5.285 2.353 -6.663 189 H GLY 25 H GLY 25 -3.010 6.385 -9.786 190 1HA GLY 25 1HA GLY 25 -2.916 8.349 -11.605 191 2HA GLY 25 2HA GLY 25 -3.814 9.165 -10.315 192 H CYS 26 H CYS 26 -2.873 9.253 -8.183 193 HA CYS 26 HA CYS 26 -0.193 8.660 -7.478 194 1HB CYS 26 1HB CYS 26 0.092 10.453 -9.509 195 2HB CYS 26 2HB CYS 26 -0.311 11.584 -8.244 196 H ASP 27 H ASP 27 -2.587 11.064 -7.551 197 HA ASP 27 HA ASP 27 -2.779 12.569 -5.257 198 1HB ASP 27 1HB ASP 27 -5.187 12.472 -5.840 199 2HB ASP 27 2HB ASP 27 -4.175 12.794 -7.250 200 H ALA 28 H ALA 28 -3.907 9.345 -5.977 201 HA ALA 28 HA ALA 28 -5.275 8.399 -3.909 202 1HB ALA 28 1HB ALA 28 -4.531 7.122 -5.840 203 2HB ALA 28 2HB ALA 28 -2.882 7.027 -5.212 204 3HB ALA 28 3HB ALA 28 -4.205 6.189 -4.360 205 H CYS 29 H CYS 29 -1.742 8.774 -3.864 206 HA CYS 29 HA CYS 29 -1.709 8.221 -0.906 207 1HB CYS 29 1HB CYS 29 0.410 7.535 -2.916 208 2HB CYS 29 2HB CYS 29 0.390 7.145 -1.186 209 H HIS 30 H HIS 30 -0.376 10.178 -3.620 210 HA HIS 30 HA HIS 30 1.002 11.911 -1.588 211 1HB HIS 30 1HB HIS 30 1.769 11.420 -4.472 212 2HB HIS 30 2HB HIS 30 2.616 12.435 -3.318 213 HD1 HIS 30 HND HIS 30 3.882 10.956 -1.255 214 HD2 HIS 30 HD HIS 30 2.661 9.074 -4.779 215 HE1 HIS 30 HE HIS 30 5.373 8.856 -1.575 216 H GLU 31 H GLU 31 -0.113 13.796 -1.432 217 HA GLU 31 HA GLU 31 -1.803 14.808 -3.575 218 1HB GLU 31 1HB GLU 31 -0.905 15.998 -0.900 219 2HB GLU 31 2HB GLU 31 -2.111 16.720 -2.003 220 1HG GLU 31 1HG GLU 31 -3.483 14.708 -1.785 221 2HG GLU 31 2HG GLU 31 -2.329 14.045 -0.607 222 H GLY 32 H GLY 32 -0.153 17.333 -2.160 223 1HA GLY 32 1HA GLY 32 0.463 18.647 -4.447 224 2HA GLY 32 2HA GLY 32 1.294 18.956 -2.917 225 H THR 33 H THR 33 2.789 16.508 -2.697 226 HA THR 33 HA THR 33 4.244 16.071 -5.118 227 HB THR 33 HB THR 33 5.194 18.259 -4.513 228 HG1 THR 33 HG1 THR 33 7.373 17.564 -4.449 229 1HG2 THR 33 1HG2 THR 33 4.872 18.157 -2.032 230 2HG2 THR 33 2HG2 THR 33 6.173 16.951 -1.934 231 3HG2 THR 33 3HG2 THR 33 6.523 18.594 -2.498 232 HA PRO 34 HA PRO 34 5.084 12.507 -2.415 233 1HB PRO 34 1HB PRO 34 7.230 11.455 -3.923 234 2HB PRO 34 2HB PRO 34 5.530 10.953 -4.009 235 1HG PRO 34 1HG PRO 34 6.972 12.315 -6.038 236 2HG PRO 34 2HG PRO 34 5.200 11.988 -5.927 237 1HD PRO 34 1HD PRO 34 6.711 14.493 -5.353 238 2HD PRO 34 2HD PRO 34 5.035 14.259 -5.932 239 H ALA 35 H ALA 35 6.535 12.166 -0.707 240 HA ALA 35 HA ALA 35 9.360 12.711 -0.977 241 1HB ALA 35 1HB ALA 35 7.689 14.487 0.849 242 2HB ALA 35 2HB ALA 35 9.472 14.422 0.811 243 3HB ALA 35 3HB ALA 35 8.569 15.004 -0.605 244 H LYS 36 H LYS 36 8.207 10.432 -0.686 245 HA LYS 36 HA LYS 36 7.872 8.548 0.492 246 1HB LYS 36 1HB LYS 36 9.134 9.905 2.924 247 2HB LYS 36 2HB LYS 36 8.692 8.225 2.719 248 1HG LYS 36 1HG LYS 36 10.263 8.284 0.615 249 2HG LYS 36 2HG LYS 36 10.883 9.791 1.277 250 1HD LYS 36 1HD LYS 36 12.281 7.864 1.851 251 2HD LYS 36 2HD LYS 36 11.596 8.566 3.338 252 1HE LYS 36 1HE LYS 36 9.961 6.795 3.535 253 2HE LYS 36 2HE LYS 36 10.176 6.333 1.834 254 1HZ LYS 36 1HZ LYS 36 12.064 5.816 4.011 255 2HZ LYS 36 2HZ LYS 36 10.932 4.823 3.323 256 3HZ LYS 36 3HZ LYS 36 12.220 5.336 2.410 257 H ILE 37 H ILE 37 6.529 7.601 2.295 258 HA ILE 37 HA ILE 37 5.031 9.650 3.778 259 HB ILE 37 HB ILE 37 2.946 7.852 3.285 260 1HG1 ILE 37 1HG1 ILE 37 4.186 8.622 0.616 261 2HG1 ILE 37 2HG1 ILE 37 4.231 7.021 1.348 262 1HG2 ILE 37 1HG2 ILE 37 3.388 10.586 2.030 263 2HG2 ILE 37 2HG2 ILE 37 1.834 9.791 2.347 264 3HG2 ILE 37 3HG2 ILE 37 2.842 10.303 3.696 265 1HD1 ILE 37 1HD1 ILE 37 1.734 6.962 1.334 266 2HD1 ILE 37 2HD1 ILE 37 1.737 8.537 0.502 267 3HD1 ILE 37 3HD1 ILE 37 2.458 7.132 -0.281 268 H ALA 38 H ALA 38 6.473 6.528 4.008 269 HA ALA 38 HA ALA 38 7.258 5.717 5.929 270 1HB ALA 38 1HB ALA 38 5.582 7.633 7.549 271 2HB ALA 38 2HB ALA 38 6.972 6.653 8.051 272 3HB ALA 38 3HB ALA 38 7.194 7.960 6.858 273 H ILE 39 H ILE 39 5.929 4.211 4.641 274 HA ILE 39 HA ILE 39 3.459 3.276 5.919 275 HB ILE 39 HB ILE 39 5.190 2.105 3.753 276 1HG1 ILE 39 1HG1 ILE 39 4.037 4.200 3.301 277 2HG1 ILE 39 2HG1 ILE 39 3.410 2.842 2.374 278 1HG2 ILE 39 1HG2 ILE 39 2.563 1.091 4.899 279 2HG2 ILE 39 2HG2 ILE 39 3.196 0.634 3.299 280 3HG2 ILE 39 3HG2 ILE 39 4.102 0.221 4.754 281 1HD1 ILE 39 1HD1 ILE 39 1.561 4.237 2.969 282 2HD1 ILE 39 2HD1 ILE 39 1.413 2.766 3.937 283 3HD1 ILE 39 3HD1 ILE 39 2.014 4.272 4.670 284 H ASP 40 H ASP 40 3.736 2.942 7.872 285 HA ASP 40 HA ASP 40 5.310 0.570 8.826 286 1HB ASP 40 1HB ASP 40 3.998 2.642 10.566 287 2HB ASP 40 2HB ASP 40 5.238 1.469 11.039 288 H LYS 41 H LYS 41 3.988 -0.849 10.196 289 HA LYS 41 HA LYS 41 1.472 -1.512 9.457 290 1HB LYS 41 1HB LYS 41 2.818 -2.874 10.768 291 2HB LYS 41 2HB LYS 41 2.807 -1.795 12.153 292 1HG LYS 41 1HG LYS 41 0.146 -2.806 11.203 293 2HG LYS 41 2HG LYS 41 1.226 -4.050 11.796 294 1HD LYS 41 1HD LYS 41 0.649 -1.527 13.394 295 2HD LYS 41 2HD LYS 41 -0.349 -2.985 13.519 296 1HE LYS 41 1HE LYS 41 1.460 -4.332 14.324 297 2HE LYS 41 2HE LYS 41 2.680 -3.129 13.911 298 1HZ LYS 41 1HZ LYS 41 2.237 -3.149 16.236 299 2HZ LYS 41 2HZ LYS 41 1.811 -1.698 15.600 300 3HZ LYS 41 3HZ LYS 41 0.646 -2.792 16.007 301 H LYS 42 H LYS 42 2.231 0.784 12.046 302 HA LYS 42 HA LYS 42 -0.354 1.415 12.954 303 1HB LYS 42 1HB LYS 42 0.587 3.659 13.542 304 2HB LYS 42 2HB LYS 42 1.474 2.272 14.187 305 1HG LYS 42 1HG LYS 42 3.259 2.526 12.654 306 2HG LYS 42 2HG LYS 42 2.343 3.648 11.623 307 1HD LYS 42 1HD LYS 42 2.588 4.618 14.390 308 2HD LYS 42 2HD LYS 42 4.170 4.305 13.683 309 1HE LYS 42 1HE LYS 42 2.040 5.910 12.197 310 2HE LYS 42 2HE LYS 42 3.129 6.668 13.365 311 1HZ LYS 42 1HZ LYS 42 4.221 5.139 11.062 312 2HZ LYS 42 2HZ LYS 42 3.904 6.746 11.008 313 3HZ LYS 42 3HZ LYS 42 4.993 6.093 12.045 314 H SER 43 H SER 43 1.201 2.437 9.926 315 HA SER 43 HA SER 43 -1.003 4.284 9.273 316 1HB SER 43 1HB SER 43 1.338 3.437 7.509 317 2HB SER 43 2HB SER 43 0.324 4.872 7.401 318 HG SER 43 HG SER 43 2.487 5.128 8.358 319 H ALA 44 H ALA 44 0.654 1.510 7.830 320 HA ALA 44 HA ALA 44 -0.850 0.847 5.690 321 1HB ALA 44 1HB ALA 44 0.154 -1.316 5.817 322 2HB ALA 44 2HB ALA 44 1.335 -0.093 6.380 323 3HB ALA 44 3HB ALA 44 0.503 -1.129 7.540 324 H HIS 45 H HIS 45 -1.233 -0.623 8.924 325 HA HIS 45 HA HIS 45 -3.485 -2.259 8.006 326 1HB HIS 45 1HB HIS 45 -1.834 -2.057 10.523 327 2HB HIS 45 2HB HIS 45 -3.402 -2.828 10.563 328 HD1 HIS 45 HND HIS 45 -3.677 -5.162 9.728 329 HD2 HIS 45 HD HIS 45 -0.021 -3.406 8.592 330 HE1 HIS 45 HE HIS 45 -2.311 -6.975 8.643 331 H LYS 46 H LYS 46 -3.170 0.929 9.255 332 HA LYS 46 HA LYS 46 -5.834 0.829 10.566 333 1HB LYS 46 1HB LYS 46 -3.960 1.903 11.723 334 2HB LYS 46 2HB LYS 46 -3.774 3.057 10.406 335 1HG LYS 46 1HG LYS 46 -6.531 2.818 11.577 336 2HG LYS 46 2HG LYS 46 -5.306 3.419 12.696 337 1HD LYS 46 1HD LYS 46 -5.774 4.586 9.941 338 2HD LYS 46 2HD LYS 46 -6.621 5.155 11.368 339 1HE LYS 46 1HE LYS 46 -4.483 5.801 12.429 340 2HE LYS 46 2HE LYS 46 -3.563 5.155 11.063 341 1HZ LYS 46 1HZ LYS 46 -3.834 7.510 10.882 342 2HZ LYS 46 2HZ LYS 46 -4.625 6.764 9.646 343 3HZ LYS 46 3HZ LYS 46 -5.477 7.381 10.908 344 H ASP 47 H ASP 47 -4.158 3.083 8.276 345 HA ASP 47 HA ASP 47 -6.299 2.912 6.365 346 1HB ASP 47 1HB ASP 47 -6.075 5.486 7.960 347 2HB ASP 47 2HB ASP 47 -6.845 5.313 6.401 348 H ALA 48 H ALA 48 -4.203 2.099 5.624 349 HA ALA 48 HA ALA 48 -3.704 4.102 3.585 350 1HB ALA 48 1HB ALA 48 -1.667 4.512 4.747 351 2HB ALA 48 2HB ALA 48 -1.345 2.802 5.013 352 3HB ALA 48 3HB ALA 48 -1.254 3.477 3.369 353 H CYS 49 H CYS 49 -2.064 0.981 4.088 354 HA CYS 49 HA CYS 49 -2.987 0.070 1.534 355 1HB CYS 49 1HB CYS 49 -1.833 -1.641 3.700 356 2HB CYS 49 2HB CYS 49 -1.741 -1.894 1.961 357 H LYS 50 H LYS 50 -3.756 -1.098 4.845 358 HA LYS 50 HA LYS 50 -5.673 -2.982 3.715 359 1HB LYS 50 1HB LYS 50 -3.940 -2.967 5.845 360 2HB LYS 50 2HB LYS 50 -5.458 -2.696 6.687 361 1HG LYS 50 1HG LYS 50 -4.968 -4.952 4.669 362 2HG LYS 50 2HG LYS 50 -4.547 -5.071 6.376 363 1HD LYS 50 1HD LYS 50 -6.869 -4.739 7.044 364 2HD LYS 50 2HD LYS 50 -7.370 -4.548 5.348 365 1HE LYS 50 1HE LYS 50 -6.675 -6.836 4.811 366 2HE LYS 50 2HE LYS 50 -5.931 -7.046 6.403 367 1HZ LYS 50 1HZ LYS 50 -8.099 -6.919 7.390 368 2HZ LYS 50 2HZ LYS 50 -8.814 -6.727 5.915 369 3HZ LYS 50 3HZ LYS 50 -8.025 -8.125 6.278 370 H THR 51 H THR 51 -6.450 -0.399 3.103 371 HA THR 51 HA THR 51 -9.048 -0.362 4.370 372 HB THR 51 HB THR 51 -7.329 1.290 5.524 373 HG1 THR 51 HG1 THR 51 -9.184 2.318 6.303 374 1HG2 THR 51 1HG2 THR 51 -8.826 3.023 3.486 375 2HG2 THR 51 2HG2 THR 51 -7.864 3.620 4.829 376 3HG2 THR 51 3HG2 THR 51 -7.066 2.747 3.516 377 H CYS 52 H CYS 52 -7.101 1.123 1.771 378 HA CYS 52 HA CYS 52 -9.347 1.649 0.089 379 1HB CYS 52 1HB CYS 52 -6.453 0.958 -0.303 380 2HB CYS 52 2HB CYS 52 -7.559 0.823 -1.667 381 H HIS 53 H HIS 53 -7.411 -1.369 0.541 382 HA HIS 53 HA HIS 53 -8.969 -2.697 -1.456 383 1HB HIS 53 1HB HIS 53 -7.295 -4.113 0.593 384 2HB HIS 53 2HB HIS 53 -7.695 -4.620 -1.042 385 HD1 HIS 53 HND HIS 53 -4.858 -4.805 0.022 386 HD2 HIS 53 HD HIS 53 -6.314 -1.581 -2.278 387 HE1 HIS 53 HE HIS 53 -2.879 -3.730 -1.135 388 H LYS 54 H LYS 54 -10.940 -1.822 0.283 389 HA LYS 54 HA LYS 54 -12.055 -4.431 1.301 390 1HB LYS 54 1HB LYS 54 -12.633 -1.598 2.271 391 2HB LYS 54 2HB LYS 54 -13.670 -2.981 2.573 392 1HG LYS 54 1HG LYS 54 -12.675 -3.337 4.439 393 2HG LYS 54 2HG LYS 54 -11.311 -3.989 3.528 394 1HD LYS 54 1HD LYS 54 -10.027 -2.138 3.861 395 2HD LYS 54 2HD LYS 54 -11.402 -1.009 3.993 396 1HE LYS 54 1HE LYS 54 -11.976 -1.809 6.218 397 2HE LYS 54 2HE LYS 54 -10.658 -2.992 6.180 398 1HZ LYS 54 1HZ LYS 54 -10.168 -0.945 7.448 399 2HZ LYS 54 2HZ LYS 54 -9.085 -1.255 6.262 400 3HZ LYS 54 3HZ LYS 54 -10.165 -0.045 6.078 401 H SER 55 H SER 55 -11.988 -4.071 -1.373 402 HA SER 55 HA SER 55 -14.749 -4.098 -2.061 403 1HB SER 55 1HB SER 55 -14.646 -1.631 -1.900 404 2HB SER 55 2HB SER 55 -13.245 -1.597 -2.977 405 HG SER 55 HG SER 55 -15.855 -2.529 -3.620 406 H ASN 56 H ASN 56 -11.632 -3.142 -3.535 407 HA ASN 56 HA ASN 56 -12.052 -4.169 -6.060 408 1HB ASN 56 1HB ASN 56 -9.598 -4.162 -6.332 409 2HB ASN 56 2HB ASN 56 -10.255 -2.674 -5.643 410 1HD2 ASN 56 1HD2 ASN 56 -7.695 -2.835 -5.369 411 2HD2 ASN 56 2HD2 ASN 56 -7.195 -3.200 -3.737 412 H ASN 57 H ASN 57 -10.534 -5.938 -3.338 413 HA ASN 57 HA ASN 57 -11.177 -8.486 -4.757 414 1HB ASN 57 1HB ASN 57 -8.733 -7.898 -4.951 415 2HB ASN 57 2HB ASN 57 -8.632 -7.921 -3.180 416 1HD2 ASN 57 1HD2 ASN 57 -6.898 -9.599 -3.922 417 2HD2 ASN 57 2HD2 ASN 57 -7.471 -11.252 -4.053 418 H GLY 58 H GLY 58 -11.466 -10.281 -3.281 419 1HA GLY 58 1HA GLY 58 -13.048 -9.526 -0.965 420 2HA GLY 58 2HA GLY 58 -12.680 -11.168 -1.515 421 HA PRO 59 HA PRO 59 -9.426 -9.706 1.731 422 1HB PRO 59 1HB PRO 59 -10.598 -9.826 4.207 423 2HB PRO 59 2HB PRO 59 -10.568 -8.350 3.194 424 1HG PRO 59 1HG PRO 59 -12.812 -10.365 3.442 425 2HG PRO 59 2HG PRO 59 -12.923 -8.583 3.546 426 1HD PRO 59 1HD PRO 59 -13.474 -9.948 1.251 427 2HD PRO 59 2HD PRO 59 -12.662 -8.353 1.195 428 H THR 60 H THR 60 -8.317 -11.210 3.074 429 HA THR 60 HA THR 60 -9.224 -14.008 3.078 430 HB THR 60 HB THR 60 -8.040 -12.666 0.799 431 HG1 THR 60 HG1 THR 60 -9.725 -14.110 0.834 432 1HG2 THR 60 1HG2 THR 60 -5.819 -13.283 1.541 433 2HG2 THR 60 2HG2 THR 60 -6.309 -15.001 1.604 434 3HG2 THR 60 3HG2 THR 60 -6.329 -14.111 0.071 435 H LYS 61 H LYS 61 -8.708 -12.411 5.154 436 HA LYS 61 HA LYS 61 -7.466 -11.851 6.900 437 1HB LYS 61 1HB LYS 61 -5.837 -14.393 6.480 438 2HB LYS 61 2HB LYS 61 -6.016 -13.409 7.933 439 1HG LYS 61 1HG LYS 61 -8.652 -13.944 7.425 440 2HG LYS 61 2HG LYS 61 -7.903 -15.354 6.651 441 1HD LYS 61 1HD LYS 61 -6.572 -15.623 8.872 442 2HD LYS 61 2HD LYS 61 -7.591 -14.320 9.494 443 1HE LYS 61 1HE LYS 61 -8.560 -16.340 10.300 444 2HE LYS 61 2HE LYS 61 -9.634 -15.741 9.032 445 1HZ LYS 61 1HZ LYS 61 -7.619 -17.883 8.738 446 2HZ LYS 61 2HZ LYS 61 -9.242 -18.100 8.856 447 3HZ LYS 61 3HZ LYS 61 -8.610 -17.352 7.536 448 H CYS 62 H CYS 62 -4.854 -13.330 4.967 449 HA CYS 62 HA CYS 62 -3.434 -10.745 4.970 450 1HB CYS 62 1HB CYS 62 -2.060 -13.378 5.532 451 2HB CYS 62 2HB CYS 62 -1.426 -11.737 5.780 452 H GLY 63 H GLY 63 -1.044 -12.185 3.814 453 1HA GLY 63 1HA GLY 63 -0.333 -13.236 1.897 454 2HA GLY 63 2HA GLY 63 -2.010 -13.492 1.399 455 H GLY 64 H GLY 64 -3.015 -10.992 1.278 456 1HA GLY 64 1HA GLY 64 -2.729 -9.991 -1.151 457 2HA GLY 64 2HA GLY 64 -3.030 -8.935 0.241 458 H CYS 65 H CYS 65 -0.561 -8.964 1.484 459 HA CYS 65 HA CYS 65 1.017 -7.281 -0.435 460 1HB CYS 65 1HB CYS 65 0.541 -6.789 2.474 461 2HB CYS 65 2HB CYS 65 1.180 -5.651 1.281 462 H HIS 66 H HIS 66 1.204 -9.161 2.618 463 HA HIS 66 HA HIS 66 4.135 -9.237 2.559 464 1HB HIS 66 1HB HIS 66 2.205 -10.788 4.316 465 2HB HIS 66 2HB HIS 66 3.932 -10.668 4.512 466 HD1 HIS 66 HND HIS 66 4.803 -7.980 5.101 467 HD2 HIS 66 HD HIS 66 0.769 -9.057 5.654 468 HE1 HIS 66 HE HIS 66 3.770 -6.316 6.738 469 H ILE 67 H ILE 67 5.193 -10.788 1.344 470 HA ILE 67 HA ILE 67 3.673 -13.221 0.520 471 HB ILE 67 HB ILE 67 6.524 -12.765 -0.333 472 1HG1 ILE 67 1HG1 ILE 67 5.312 -11.746 -2.452 473 2HG1 ILE 67 2HG1 ILE 67 4.068 -11.270 -1.296 474 1HG2 ILE 67 1HG2 ILE 67 4.071 -13.989 -1.657 475 2HG2 ILE 67 2HG2 ILE 67 5.752 -14.070 -2.234 476 3HG2 ILE 67 3HG2 ILE 67 5.280 -14.909 -0.746 477 1HD1 ILE 67 1HD1 ILE 67 5.371 -9.448 -0.882 478 2HD1 ILE 67 2HD1 ILE 67 6.545 -10.520 -0.100 479 3HD1 ILE 67 3HD1 ILE 67 6.723 -10.132 -1.812 480 H LYS 68 H LYS 68 3.921 -13.125 3.224 481 HA LYS 68 HA LYS 68 5.146 -15.489 3.989 482 1HB LYS 68 1HB LYS 68 7.185 -13.532 3.706 483 2HB LYS 68 2HB LYS 68 6.684 -13.331 5.370 484 1HG LYS 68 1HG LYS 68 8.449 -14.864 5.413 485 2HG LYS 68 2HG LYS 68 6.977 -15.821 5.691 486 1HD LYS 68 1HD LYS 68 7.021 -16.583 3.312 487 2HD LYS 68 2HD LYS 68 8.299 -15.435 2.947 488 1HE LYS 68 1HE LYS 68 9.245 -17.663 3.106 489 2HE LYS 68 2HE LYS 68 9.891 -16.628 4.385 490 1HZ LYS 68 1HZ LYS 68 9.302 -18.791 5.209 491 2HZ LYS 68 2HZ LYS 68 8.336 -17.659 5.908 492 3HZ LYS 68 3HZ LYS 68 7.743 -18.623 4.713 493 HHA HEC 69 HCM HEC 69 8.465 7.216 -1.157 494 HHB HEC 69 HDM HEC 69 7.232 9.964 -6.750 495 HHC HEC 69 HAM HEC 69 1.579 6.928 -7.018 496 HHD HEC 69 HBM HEC 69 2.796 4.594 -1.148 497 1HMA HEC 69 HM81 HEC 69 9.589 9.846 -6.461 498 2HMA HEC 69 HM82 HEC 69 9.195 11.199 -5.369 499 3HMA HEC 69 HM83 HEC 69 10.569 10.130 -5.023 500 1HAA HEC 69 HP71 HEC 69 10.453 10.052 -2.726 501 2HAA HEC 69 HP72 HEC 69 9.826 8.993 -1.484 502 1HBA HEC 69 HP73 HEC 69 10.919 7.053 -2.593 503 2HBA HEC 69 HP74 HEC 69 11.596 8.155 -3.802 504 1HMB HEC 69 HM11 HEC 69 4.565 11.067 -8.803 505 2HMB HEC 69 HM12 HEC 69 6.248 10.730 -8.449 506 3HMB HEC 69 HM13 HEC 69 5.445 9.823 -9.731 507 HAB HEC 69 HT2A HEC 69 1.654 8.247 -8.646 508 1HBB HEC 69 HT21 HEC 69 1.736 9.266 -10.706 509 2HBB HEC 69 HT22 HEC 69 3.185 10.198 -10.347 510 3HBB HEC 69 HT23 HEC 69 3.286 8.432 -10.564 511 1HMC HEC 69 HM31 HEC 69 -0.977 5.016 -5.055 512 2HMC HEC 69 HM32 HEC 69 -0.538 6.595 -5.687 513 3HMC HEC 69 HM33 HEC 69 -0.016 5.126 -6.534 514 HAC HEC 69 HT4A HEC 69 0.690 4.483 -1.538 515 1HBC HEC 69 HT41 HEC 69 -0.718 3.161 -3.888 516 2HBC HEC 69 HT42 HEC 69 0.617 2.461 -2.965 517 3HBC HEC 69 HT43 HEC 69 -0.930 2.804 -2.174 518 1HMD HEC 69 HM51 HEC 69 3.478 4.863 0.866 519 2HMD HEC 69 HM52 HEC 69 4.588 3.472 0.705 520 3HMD HEC 69 HM53 HEC 69 5.038 4.924 1.672 521 1HAD HEC 69 HP61 HEC 69 8.567 5.449 0.109 522 2HAD HEC 69 HP62 HEC 69 7.556 6.264 1.287 523 1HBD HEC 69 HP63 HEC 69 6.658 3.648 1.549 524 2HBD HEC 69 HP64 HEC 69 8.262 3.417 0.936 525 HHA HEC 70 HCM HEC 70 -3.861 -4.407 -6.437 526 HHB HEC 70 HDM HEC 70 0.378 -3.917 -1.614 527 HHC HEC 70 HAM HEC 70 -2.235 1.668 -0.034 528 HHD HEC 70 HBM HEC 70 -6.650 0.954 -4.524 529 1HMA HEC 70 HM81 HEC 70 0.297 -6.236 -2.533 530 2HMA HEC 70 HM82 HEC 70 0.255 -6.777 -4.221 531 3HMA HEC 70 HM83 HEC 70 1.218 -5.359 -3.786 532 1HAA HEC 70 HP71 HEC 70 -1.845 -7.255 -5.012 533 2HAA HEC 70 HP72 HEC 70 -3.129 -6.458 -5.887 534 1HBA HEC 70 HP73 HEC 70 -1.494 -5.605 -7.533 535 2HBA HEC 70 HP74 HEC 70 -0.187 -6.408 -6.644 536 1HMB HEC 70 HM11 HEC 70 0.929 -3.313 0.646 537 2HMB HEC 70 HM12 HEC 70 2.038 -2.398 -0.403 538 3HMB HEC 70 HM13 HEC 70 1.596 -1.774 1.198 539 HAB HEC 70 HT2A HEC 70 -0.711 1.355 1.273 540 1HBB HEC 70 HT21 HEC 70 1.344 1.632 -0.037 541 2HBB HEC 70 HT22 HEC 70 1.541 1.844 1.707 542 3HBB HEC 70 HT23 HEC 70 2.124 0.366 0.925 543 1HMC HEC 70 HM31 HEC 70 -4.840 4.248 -0.775 544 2HMC HEC 70 HM32 HEC 70 -4.005 3.200 0.362 545 3HMC HEC 70 HM33 HEC 70 -3.101 3.981 -0.958 546 HAC HEC 70 HT4A HEC 70 -7.276 2.490 -3.248 547 1HBC HEC 70 HT41 HEC 70 -5.671 4.990 -2.687 548 2HBC HEC 70 HT42 HEC 70 -5.890 4.166 -4.248 549 3HBC HEC 70 HT43 HEC 70 -7.291 4.854 -3.408 550 1HMD HEC 70 HM51 HEC 70 -8.202 -0.478 -6.153 551 2HMD HEC 70 HM52 HEC 70 -7.017 0.706 -6.737 552 3HMD HEC 70 HM53 HEC 70 -7.419 -0.700 -7.739 553 1HAD HEC 70 HP61 HEC 70 -5.960 -4.254 -7.345 554 2HAD HEC 70 HP62 HEC 70 -7.231 -3.078 -7.606 555 1HBD HEC 70 HP63 HEC 70 -5.646 -1.777 -9.071 556 2HBD HEC 70 HP64 HEC 70 -4.519 -3.140 -8.952 557 HHA HEC 71 HCM HEC 71 3.910 -3.966 9.230 558 HHB HEC 71 HDM HEC 71 0.899 -9.293 11.026 559 HHC HEC 71 HAM HEC 71 -2.592 -9.050 5.694 560 HHD HEC 71 HBM HEC 71 0.536 -3.886 3.807 561 1HMA HEC 71 HM81 HEC 71 4.019 -8.001 12.630 562 2HMA HEC 71 HM82 HEC 71 2.394 -7.618 13.235 563 3HMA HEC 71 HM83 HEC 71 2.693 -9.090 12.282 564 1HAA HEC 71 HP71 HEC 71 4.034 -4.320 11.714 565 2HAA HEC 71 HP72 HEC 71 4.437 -5.774 12.586 566 1HBA HEC 71 HP73 HEC 71 5.693 -5.079 9.910 567 2HBA HEC 71 HP74 HEC 71 6.299 -4.467 11.457 568 1HMB HEC 71 HM11 HEC 71 0.139 -11.474 10.458 569 2HMB HEC 71 HM12 HEC 71 -1.335 -10.780 11.179 570 3HMB HEC 71 HM13 HEC 71 -1.440 -12.034 9.919 571 HAB HEC 71 HT2A HEC 71 -3.629 -10.262 7.144 572 1HBB HEC 71 HT21 HEC 71 -3.582 -11.109 10.037 573 2HBB HEC 71 HT22 HEC 71 -4.124 -9.531 9.432 574 3HBB HEC 71 HT23 HEC 71 -4.965 -11.012 8.939 575 1HMC HEC 71 HM31 HEC 71 -2.624 -8.825 3.356 576 2HMC HEC 71 HM32 HEC 71 -3.946 -7.786 3.931 577 3HMC HEC 71 HM33 HEC 71 -3.105 -7.420 2.406 578 HAC HEC 71 HT4A HEC 71 -1.037 -4.100 2.522 579 1HBC HEC 71 HT41 HEC 71 -3.186 -3.818 1.584 580 2HBC HEC 71 HT42 HEC 71 -3.808 -5.278 2.381 581 3HBC HEC 71 HT43 HEC 71 -3.306 -3.873 3.346 582 1HMD HEC 71 HM51 HEC 71 3.674 -1.988 4.344 583 2HMD HEC 71 HM52 HEC 71 2.262 -2.652 3.529 584 3HMD HEC 71 HM53 HEC 71 2.073 -1.268 4.591 585 1HAD HEC 71 HP61 HEC 71 4.411 -1.455 6.355 586 2HAD HEC 71 HP62 HEC 71 3.817 -1.546 7.974 587 1HBD HEC 71 HP63 HEC 71 5.530 -3.843 7.464 588 2HBD HEC 71 HP64 HEC 71 6.316 -2.383 6.880 Start of MODEL 35 1 1H ALA 1 1H ALA 1 10.981 3.346 -8.537 2 2H ALA 1 2H ALA 1 10.977 4.785 -7.639 3 3H ALA 1 3H ALA 1 10.042 3.534 -7.208 4 HA ALA 1 HA ALA 1 8.572 4.988 -8.231 5 1HB ALA 1 1HB ALA 1 10.692 5.309 -10.394 6 2HB ALA 1 2HB ALA 1 9.109 6.118 -10.355 7 3HB ALA 1 3HB ALA 1 10.318 6.482 -9.115 8 H ASP 2 H ASP 2 8.298 2.255 -8.120 9 HA ASP 2 HA ASP 2 7.482 0.939 -10.373 10 1HB ASP 2 1HB ASP 2 9.509 -0.283 -10.976 11 2HB ASP 2 2HB ASP 2 9.720 1.415 -11.331 12 H VAL 3 H VAL 3 8.319 -1.608 -9.780 13 HA VAL 3 HA VAL 3 6.668 -1.941 -7.507 14 HB VAL 3 HB VAL 3 6.688 -3.530 -9.293 15 1HG1 VAL 3 1HG1 VAL 3 9.142 -3.561 -9.833 16 2HG1 VAL 3 2HG1 VAL 3 9.409 -4.545 -8.378 17 3HG1 VAL 3 3HG1 VAL 3 8.399 -5.161 -9.691 18 1HG2 VAL 3 1HG2 VAL 3 7.547 -4.830 -6.677 19 2HG2 VAL 3 2HG2 VAL 3 5.920 -4.221 -7.050 20 3HG2 VAL 3 3HG2 VAL 3 6.588 -5.573 -7.974 21 H VAL 4 H VAL 4 7.134 -1.462 -5.483 22 HA VAL 4 HA VAL 4 9.919 -1.863 -4.443 23 HB VAL 4 HB VAL 4 7.786 0.140 -3.717 24 1HG1 VAL 4 1HG1 VAL 4 10.398 -0.473 -2.229 25 2HG1 VAL 4 2HG1 VAL 4 9.349 0.923 -1.925 26 3HG1 VAL 4 3HG1 VAL 4 8.781 -0.699 -1.562 27 1HG2 VAL 4 1HG2 VAL 4 9.373 0.723 -5.575 28 2HG2 VAL 4 2HG2 VAL 4 9.545 1.770 -4.160 29 3HG2 VAL 4 3HG2 VAL 4 10.720 0.471 -4.461 30 H THR 5 H THR 5 9.984 -2.598 -2.230 31 HA THR 5 HA THR 5 7.445 -3.525 -1.247 32 HB THR 5 HB THR 5 8.497 -5.655 -1.913 33 HG1 THR 5 HG1 THR 5 7.732 -5.146 0.370 34 1HG2 THR 5 1HG2 THR 5 10.700 -6.381 -1.099 35 2HG2 THR 5 2HG2 THR 5 10.858 -4.959 -2.141 36 3HG2 THR 5 3HG2 THR 5 10.983 -4.789 -0.375 37 H TYR 6 H TYR 6 7.046 -3.176 0.795 38 HA TYR 6 HA TYR 6 8.857 -1.472 2.327 39 1HB TYR 6 1HB TYR 6 6.437 -2.887 3.315 40 2HB TYR 6 2HB TYR 6 7.211 -1.461 4.002 41 HD1 TYR 6 HD1 TYR 6 7.179 0.706 2.379 42 HD2 TYR 6 HD2 TYR 6 4.599 -2.694 2.040 43 HE1 TYR 6 HE1 TYR 6 5.658 1.970 0.890 44 HE2 TYR 6 HE2 TYR 6 3.114 -1.445 0.509 45 HH TYR 6 HH TYR 6 3.295 0.536 -0.942 46 H GLU 7 H GLU 7 10.733 -2.680 2.708 47 HA GLU 7 HA GLU 7 10.728 -5.449 3.401 48 1HB GLU 7 1HB GLU 7 13.085 -5.029 4.017 49 2HB GLU 7 2HB GLU 7 12.589 -4.795 2.338 50 1HG GLU 7 1HG GLU 7 12.656 -2.353 2.568 51 2HG GLU 7 2HG GLU 7 12.970 -2.501 4.311 52 H ASN 8 H ASN 8 9.117 -5.255 4.884 53 HA ASN 8 HA ASN 8 9.598 -4.475 7.687 54 1HB ASN 8 1HB ASN 8 7.361 -5.375 8.093 55 2HB ASN 8 2HB ASN 8 7.351 -4.352 6.664 56 1HD2 ASN 8 1HD2 ASN 8 5.949 -5.235 5.196 57 2HD2 ASN 8 2HD2 ASN 8 5.981 -6.919 4.669 58 H LYS 9 H LYS 9 8.946 -6.381 9.371 59 HA LYS 9 HA LYS 9 11.065 -8.356 8.911 60 1HB LYS 9 1HB LYS 9 10.847 -6.994 10.964 61 2HB LYS 9 2HB LYS 9 9.342 -7.835 11.367 62 1HG LYS 9 1HG LYS 9 10.518 -9.976 11.509 63 2HG LYS 9 2HG LYS 9 12.025 -9.246 10.948 64 1HD LYS 9 1HD LYS 9 10.550 -8.482 13.510 65 2HD LYS 9 2HD LYS 9 11.889 -9.647 13.418 66 1HE LYS 9 1HE LYS 9 13.310 -7.771 12.379 67 2HE LYS 9 2HE LYS 9 12.009 -6.647 12.810 68 1HZ LYS 9 1HZ LYS 9 13.542 -8.293 14.703 69 2HZ LYS 9 2HZ LYS 9 13.705 -6.678 14.453 70 3HZ LYS 9 3HZ LYS 9 12.316 -7.265 15.104 71 H LYS 10 H LYS 10 7.568 -8.264 8.905 72 HA LYS 10 HA LYS 10 6.920 -10.997 9.415 73 1HB LYS 10 1HB LYS 10 5.660 -8.993 7.494 74 2HB LYS 10 2HB LYS 10 4.946 -10.556 7.869 75 1HG LYS 10 1HG LYS 10 5.502 -8.340 9.853 76 2HG LYS 10 2HG LYS 10 3.947 -8.633 9.095 77 1HD LYS 10 1HD LYS 10 3.475 -9.946 10.860 78 2HD LYS 10 2HD LYS 10 4.521 -11.145 10.099 79 1HE LYS 10 1HE LYS 10 6.486 -10.026 11.400 80 2HE LYS 10 2HE LYS 10 5.258 -9.103 12.266 81 1HZ LYS 10 1HZ LYS 10 5.488 -12.039 12.221 82 2HZ LYS 10 2HZ LYS 10 5.905 -11.049 13.465 83 3HZ LYS 10 3HZ LYS 10 4.327 -11.191 13.028 84 H GLY 11 H GLY 11 7.483 -9.424 6.285 85 1HA GLY 11 1HA GLY 11 8.930 -11.334 4.898 86 2HA GLY 11 2HA GLY 11 7.250 -11.905 4.802 87 H ASN 12 H ASN 12 8.737 -8.698 4.821 88 HA ASN 12 HA ASN 12 8.591 -6.897 3.499 89 1HB ASN 12 1HB ASN 12 9.379 -8.793 1.337 90 2HB ASN 12 2HB ASN 12 9.948 -7.150 1.603 91 1HD2 ASN 12 1HD2 ASN 12 10.543 -7.465 4.583 92 2HD2 ASN 12 2HD2 ASN 12 11.932 -8.499 4.571 93 H VAL 13 H VAL 13 6.727 -5.882 3.022 94 HA VAL 13 HA VAL 13 4.600 -7.285 1.535 95 HB VAL 13 HB VAL 13 4.746 -4.631 2.935 96 1HG1 VAL 13 1HG1 VAL 13 3.503 -4.079 0.882 97 2HG1 VAL 13 2HG1 VAL 13 2.640 -5.610 0.950 98 3HG1 VAL 13 3HG1 VAL 13 2.307 -4.349 2.155 99 1HG2 VAL 13 1HG2 VAL 13 2.637 -6.787 3.184 100 2HG2 VAL 13 2HG2 VAL 13 4.176 -6.888 4.028 101 3HG2 VAL 13 3HG2 VAL 13 3.103 -5.513 4.337 102 H THR 14 H THR 14 4.493 -7.277 -0.599 103 HA THR 14 HA THR 14 6.176 -5.438 -2.183 104 HB THR 14 HB THR 14 4.420 -7.796 -2.970 105 HG1 THR 14 HG1 THR 14 6.336 -8.125 -1.564 106 1HG2 THR 14 1HG2 THR 14 5.811 -7.796 -5.037 107 2HG2 THR 14 2HG2 THR 14 4.831 -6.328 -4.913 108 3HG2 THR 14 3HG2 THR 14 6.567 -6.274 -4.523 109 H PHE 15 H PHE 15 5.385 -3.781 -3.480 110 HA PHE 15 HA PHE 15 2.517 -3.707 -4.102 111 1HB PHE 15 1HB PHE 15 2.239 -1.401 -3.474 112 2HB PHE 15 2HB PHE 15 2.673 -2.356 -2.062 113 HD1 PHE 15 HD1 PHE 15 5.177 -2.388 -1.360 114 HD2 PHE 15 HD2 PHE 15 3.427 0.621 -3.918 115 HE1 PHE 15 HE1 PHE 15 6.827 -0.751 -0.580 116 HE2 PHE 15 HE2 PHE 15 5.123 2.255 -3.136 117 HZ PHE 15 HZ PHE 15 6.779 1.564 -1.387 118 H ASP 16 H ASP 16 2.326 -3.387 -6.212 119 HA ASP 16 HA ASP 16 4.512 -2.277 -7.818 120 1HB ASP 16 1HB ASP 16 1.754 -3.291 -8.445 121 2HB ASP 16 2HB ASP 16 2.586 -2.149 -9.522 122 H HIS 17 H HIS 17 4.908 -0.420 -6.683 123 HA HIS 17 HA HIS 17 3.392 1.807 -6.171 124 1HB HIS 17 1HB HIS 17 5.977 1.318 -6.077 125 2HB HIS 17 2HB HIS 17 5.999 1.930 -7.719 126 HD1 HIS 17 HND HIS 17 7.800 3.503 -6.208 127 HD2 HIS 17 HD HIS 17 3.663 4.149 -5.812 128 HE1 HIS 17 HE HIS 17 7.532 5.837 -5.408 129 H LYS 18 H LYS 18 4.903 0.984 -9.315 130 HA LYS 18 HA LYS 18 3.792 3.122 -10.815 131 1HB LYS 18 1HB LYS 18 5.170 2.596 -12.293 132 2HB LYS 18 2HB LYS 18 5.746 1.337 -11.265 133 1HG LYS 18 1HG LYS 18 3.434 0.850 -13.122 134 2HG LYS 18 2HG LYS 18 5.086 0.871 -13.663 135 1HD LYS 18 1HD LYS 18 5.817 -0.886 -12.240 136 2HD LYS 18 2HD LYS 18 4.315 -0.909 -11.327 137 1HE LYS 18 1HE LYS 18 3.039 -1.607 -13.344 138 2HE LYS 18 2HE LYS 18 4.515 -1.549 -14.325 139 1HZ LYS 18 1HZ LYS 18 4.096 -3.339 -12.017 140 2HZ LYS 18 2HZ LYS 18 3.928 -3.791 -13.583 141 3HZ LYS 18 3HZ LYS 18 5.398 -3.342 -12.983 142 H ALA 19 H ALA 19 2.586 -0.228 -10.482 143 HA ALA 19 HA ALA 19 0.271 0.029 -12.087 144 1HB ALA 19 1HB ALA 19 0.475 -1.387 -9.442 145 2HB ALA 19 2HB ALA 19 -0.749 -1.669 -10.688 146 3HB ALA 19 3HB ALA 19 0.946 -2.093 -11.030 147 H HIS 20 H HIS 20 0.647 0.694 -8.550 148 HA HIS 20 HA HIS 20 -2.007 1.670 -8.164 149 1HB HIS 20 1HB HIS 20 0.609 2.191 -6.710 150 2HB HIS 20 2HB HIS 20 -0.893 2.975 -6.250 151 HD1 HIS 20 HND HIS 20 0.593 -0.552 -6.444 152 HD2 HIS 20 HD HIS 20 -2.728 1.534 -4.928 153 HE1 HIS 20 HE HIS 20 -0.658 -2.156 -4.880 154 H ALA 21 H ALA 21 0.974 3.119 -9.342 155 HA ALA 21 HA ALA 21 0.058 5.846 -9.301 156 1HB ALA 21 1HB ALA 21 2.210 4.632 -11.069 157 2HB ALA 21 2HB ALA 21 1.858 6.314 -10.865 158 3HB ALA 21 3HB ALA 21 2.432 5.361 -9.466 159 H GLU 22 H GLU 22 0.025 3.457 -11.979 160 HA GLU 22 HA GLU 22 -1.167 5.339 -13.839 161 1HB GLU 22 1HB GLU 22 -1.632 3.330 -15.259 162 2HB GLU 22 2HB GLU 22 0.068 3.613 -14.891 163 1HG GLU 22 1HG GLU 22 0.220 1.767 -13.482 164 2HG GLU 22 2HG GLU 22 -1.531 1.682 -13.209 165 H LYS 23 H LYS 23 -2.469 2.761 -11.713 166 HA LYS 23 HA LYS 23 -5.136 3.008 -12.795 167 1HB LYS 23 1HB LYS 23 -4.150 1.811 -10.184 168 2HB LYS 23 2HB LYS 23 -5.785 1.644 -10.831 169 1HG LYS 23 1HG LYS 23 -3.200 0.549 -12.008 170 2HG LYS 23 2HG LYS 23 -4.509 -0.332 -11.241 171 1HD LYS 23 1HD LYS 23 -6.002 0.604 -13.167 172 2HD LYS 23 2HD LYS 23 -4.464 1.019 -13.952 173 1HE LYS 23 1HE LYS 23 -5.526 -1.734 -13.195 174 2HE LYS 23 2HE LYS 23 -5.096 -1.123 -14.803 175 1HZ LYS 23 1HZ LYS 23 -3.333 -1.878 -12.581 176 2HZ LYS 23 2HZ LYS 23 -3.385 -2.540 -14.062 177 3HZ LYS 23 3HZ LYS 23 -2.758 -1.025 -13.910 178 H LEU 24 H LEU 24 -3.608 4.279 -9.759 179 HA LEU 24 HA LEU 24 -6.040 5.711 -9.081 180 1HB LEU 24 1HB LEU 24 -3.287 5.642 -7.790 181 2HB LEU 24 2HB LEU 24 -4.696 6.454 -7.176 182 HG LEU 24 HG LEU 24 -5.882 4.535 -6.738 183 1HD1 LEU 24 1HD1 LEU 24 -5.126 2.198 -7.090 184 2HD1 LEU 24 2HD1 LEU 24 -5.665 3.027 -8.548 185 3HD1 LEU 24 3HD1 LEU 24 -3.924 2.800 -8.216 186 1HD2 LEU 24 1HD2 LEU 24 -2.964 3.868 -6.124 187 2HD2 LEU 24 2HD2 LEU 24 -3.930 5.010 -5.176 188 3HD2 LEU 24 3HD2 LEU 24 -4.349 3.294 -5.193 189 H GLY 25 H GLY 25 -2.691 6.628 -10.193 190 1HA GLY 25 1HA GLY 25 -2.198 8.572 -11.351 191 2HA GLY 25 2HA GLY 25 -3.733 9.304 -10.931 192 H CYS 26 H CYS 26 -1.338 7.924 -8.714 193 HA CYS 26 HA CYS 26 0.089 8.741 -7.168 194 1HB CYS 26 1HB CYS 26 -0.042 11.514 -8.259 195 2HB CYS 26 2HB CYS 26 1.238 10.740 -7.336 196 H ASP 27 H ASP 27 -2.619 10.964 -7.701 197 HA ASP 27 HA ASP 27 -2.494 12.702 -5.571 198 1HB ASP 27 1HB ASP 27 -4.862 13.041 -6.031 199 2HB ASP 27 2HB ASP 27 -3.969 12.903 -7.550 200 H ALA 28 H ALA 28 -4.110 9.631 -5.892 201 HA ALA 28 HA ALA 28 -5.414 9.180 -3.600 202 1HB ALA 28 1HB ALA 28 -4.588 6.761 -3.836 203 2HB ALA 28 2HB ALA 28 -5.304 7.517 -5.284 204 3HB ALA 28 3HB ALA 28 -3.533 7.369 -5.137 205 H CYS 29 H CYS 29 -1.878 8.990 -3.882 206 HA CYS 29 HA CYS 29 -1.624 8.509 -0.925 207 1HB CYS 29 1HB CYS 29 0.257 7.736 -3.132 208 2HB CYS 29 2HB CYS 29 0.356 7.273 -1.421 209 H HIS 30 H HIS 30 -0.687 10.552 -3.650 210 HA HIS 30 HA HIS 30 1.116 12.167 -1.894 211 1HB HIS 30 1HB HIS 30 1.495 11.373 -4.800 212 2HB HIS 30 2HB HIS 30 2.532 12.460 -3.893 213 HD1 HIS 30 HND HIS 30 3.943 11.219 -1.863 214 HD2 HIS 30 HD HIS 30 2.234 8.960 -4.930 215 HE1 HIS 30 HE HIS 30 5.425 9.070 -2.210 216 H GLU 31 H GLU 31 -0.263 13.889 -1.633 217 HA GLU 31 HA GLU 31 -1.400 15.197 -4.074 218 1HB GLU 31 1HB GLU 31 -1.788 16.343 -1.270 219 2HB GLU 31 2HB GLU 31 -2.732 16.496 -2.744 220 1HG GLU 31 1HG GLU 31 -3.211 14.042 -2.537 221 2HG GLU 31 2HG GLU 31 -2.461 14.053 -0.938 222 H GLY 32 H GLY 32 0.178 16.348 -1.167 223 1HA GLY 32 1HA GLY 32 1.288 18.673 -2.528 224 2HA GLY 32 2HA GLY 32 1.415 18.283 -0.809 225 H THR 33 H THR 33 2.512 16.828 -3.873 226 HA THR 33 HA THR 33 4.511 16.359 -4.725 227 HB THR 33 HB THR 33 5.835 17.808 -2.394 228 HG1 THR 33 HG1 THR 33 4.801 18.707 -4.886 229 1HG2 THR 33 1HG2 THR 33 7.631 18.242 -3.979 230 2HG2 THR 33 2HG2 THR 33 7.436 16.502 -3.731 231 3HG2 THR 33 3HG2 THR 33 6.826 17.266 -5.221 232 HA PRO 34 HA PRO 34 5.392 12.584 -2.394 233 1HB PRO 34 1HB PRO 34 6.970 11.270 -4.127 234 2HB PRO 34 2HB PRO 34 5.223 11.484 -4.437 235 1HG PRO 34 1HG PRO 34 7.485 13.142 -5.532 236 2HG PRO 34 2HG PRO 34 6.097 12.422 -6.405 237 1HD PRO 34 1HD PRO 34 6.122 15.018 -5.599 238 2HD PRO 34 2HD PRO 34 4.612 14.056 -5.586 239 H ALA 35 H ALA 35 6.955 12.189 -0.847 240 HA ALA 35 HA ALA 35 9.787 12.700 -1.373 241 1HB ALA 35 1HB ALA 35 10.057 14.169 0.600 242 2HB ALA 35 2HB ALA 35 9.032 14.933 -0.630 243 3HB ALA 35 3HB ALA 35 8.292 14.215 0.817 244 H LYS 36 H LYS 36 8.758 10.374 -1.272 245 HA LYS 36 HA LYS 36 8.405 8.375 -0.308 246 1HB LYS 36 1HB LYS 36 9.757 9.497 2.200 247 2HB LYS 36 2HB LYS 36 9.185 7.861 1.991 248 1HG LYS 36 1HG LYS 36 10.902 8.600 -0.257 249 2HG LYS 36 2HG LYS 36 11.729 8.884 1.277 250 1HD LYS 36 1HD LYS 36 10.283 6.303 0.552 251 2HD LYS 36 2HD LYS 36 12.012 6.542 0.314 252 1HE LYS 36 1HE LYS 36 12.436 6.769 2.650 253 2HE LYS 36 2HE LYS 36 10.745 6.879 3.088 254 1HZ LYS 36 1HZ LYS 36 11.434 4.438 1.716 255 2HZ LYS 36 2HZ LYS 36 11.952 4.585 3.310 256 3HZ LYS 36 3HZ LYS 36 10.375 4.728 2.810 257 H ILE 37 H ILE 37 7.184 7.367 1.616 258 HA ILE 37 HA ILE 37 5.181 9.308 2.797 259 HB ILE 37 HB ILE 37 4.702 6.382 2.122 260 1HG1 ILE 37 1HG1 ILE 37 4.812 7.735 0.140 261 2HG1 ILE 37 2HG1 ILE 37 3.207 7.068 0.427 262 1HG2 ILE 37 1HG2 ILE 37 2.310 6.966 2.699 263 2HG2 ILE 37 2HG2 ILE 37 3.421 6.909 4.071 264 3HG2 ILE 37 3HG2 ILE 37 2.917 8.473 3.414 265 1HD1 ILE 37 1HD1 ILE 37 3.997 9.976 0.850 266 2HD1 ILE 37 2HD1 ILE 37 2.882 9.299 -0.352 267 3HD1 ILE 37 3HD1 ILE 37 2.438 9.280 1.345 268 H ALA 38 H ALA 38 6.623 6.196 3.101 269 HA ALA 38 HA ALA 38 7.525 4.958 4.781 270 1HB ALA 38 1HB ALA 38 8.392 7.002 5.807 271 2HB ALA 38 2HB ALA 38 6.890 7.149 6.770 272 3HB ALA 38 3HB ALA 38 7.923 5.726 6.980 273 H ILE 39 H ILE 39 5.685 3.850 3.978 274 HA ILE 39 HA ILE 39 3.304 3.652 5.669 275 HB ILE 39 HB ILE 39 4.488 2.011 3.448 276 1HG1 ILE 39 1HG1 ILE 39 3.583 4.220 2.814 277 2HG1 ILE 39 2HG1 ILE 39 2.700 2.872 2.091 278 1HG2 ILE 39 1HG2 ILE 39 1.777 1.566 4.699 279 2HG2 ILE 39 2HG2 ILE 39 2.528 0.655 3.370 280 3HG2 ILE 39 3HG2 ILE 39 3.217 0.559 4.984 281 1HD1 ILE 39 1HD1 ILE 39 1.215 4.685 2.731 282 2HD1 ILE 39 2HD1 ILE 39 0.840 3.281 3.723 283 3HD1 ILE 39 3HD1 ILE 39 1.773 4.634 4.404 284 H ASP 40 H ASP 40 3.398 2.803 7.484 285 HA ASP 40 HA ASP 40 5.346 0.777 8.448 286 1HB ASP 40 1HB ASP 40 4.275 3.197 9.985 287 2HB ASP 40 2HB ASP 40 5.296 1.918 10.658 288 H LYS 41 H LYS 41 4.216 -0.280 10.467 289 HA LYS 41 HA LYS 41 1.645 -1.259 9.910 290 1HB LYS 41 1HB LYS 41 3.195 -2.255 11.514 291 2HB LYS 41 2HB LYS 41 2.977 -0.905 12.626 292 1HG LYS 41 1HG LYS 41 0.362 -2.015 11.948 293 2HG LYS 41 2HG LYS 41 1.460 -3.332 12.308 294 1HD LYS 41 1HD LYS 41 0.357 -2.757 14.323 295 2HD LYS 41 2HD LYS 41 2.045 -2.245 14.485 296 1HE LYS 41 1HE LYS 41 1.402 0.104 14.057 297 2HE LYS 41 2HE LYS 41 -0.265 -0.384 13.689 298 1HZ LYS 41 1HZ LYS 41 1.061 -0.626 16.309 299 2HZ LYS 41 2HZ LYS 41 -0.057 0.501 15.887 300 3HZ LYS 41 3HZ LYS 41 -0.488 -1.079 15.976 301 H LYS 42 H LYS 42 2.501 1.415 12.043 302 HA LYS 42 HA LYS 42 -0.104 2.298 12.757 303 1HB LYS 42 1HB LYS 42 1.095 4.366 13.481 304 2HB LYS 42 2HB LYS 42 1.919 2.902 14.039 305 1HG LYS 42 1HG LYS 42 3.604 3.081 12.330 306 2HG LYS 42 2HG LYS 42 2.686 4.308 11.446 307 1HD LYS 42 1HD LYS 42 3.084 5.956 13.181 308 2HD LYS 42 2HD LYS 42 3.963 4.751 14.168 309 1HE LYS 42 1HE LYS 42 5.569 4.371 12.336 310 2HE LYS 42 2HE LYS 42 4.666 5.470 11.269 311 1HZ LYS 42 1HZ LYS 42 6.602 6.424 12.085 312 2HZ LYS 42 2HZ LYS 42 5.312 7.276 12.654 313 3HZ LYS 42 3HZ LYS 42 6.154 6.266 13.664 314 H SER 43 H SER 43 1.104 2.339 9.669 315 HA SER 43 HA SER 43 -0.403 4.742 8.744 316 1HB SER 43 1HB SER 43 2.474 3.928 8.556 317 2HB SER 43 2HB SER 43 1.737 4.892 7.273 318 HG SER 43 HG SER 43 2.705 6.228 8.847 319 H ALA 44 H ALA 44 -0.498 1.649 8.697 320 HA ALA 44 HA ALA 44 -1.025 1.230 5.780 321 1HB ALA 44 1HB ALA 44 1.232 0.365 6.361 322 2HB ALA 44 2HB ALA 44 0.534 -0.666 7.600 323 3HB ALA 44 3HB ALA 44 0.081 -0.910 5.902 324 H HIS 45 H HIS 45 -0.994 -0.205 8.975 325 HA HIS 45 HA HIS 45 -3.579 -1.666 8.511 326 1HB HIS 45 1HB HIS 45 -1.284 -1.975 10.422 327 2HB HIS 45 2HB HIS 45 -2.879 -2.467 10.965 328 HD1 HIS 45 HND HIS 45 -3.652 -4.827 10.325 329 HD2 HIS 45 HD HIS 45 -0.266 -3.408 8.326 330 HE1 HIS 45 HE HIS 45 -2.526 -6.865 9.274 331 H LYS 46 H LYS 46 -2.550 1.336 9.664 332 HA LYS 46 HA LYS 46 -4.438 1.643 11.850 333 1HB LYS 46 1HB LYS 46 -4.044 3.961 11.732 334 2HB LYS 46 2HB LYS 46 -2.521 3.104 11.522 335 1HG LYS 46 1HG LYS 46 -2.301 4.817 10.025 336 2HG LYS 46 2HG LYS 46 -2.880 3.547 8.954 337 1HD LYS 46 1HD LYS 46 -5.209 4.654 9.256 338 2HD LYS 46 2HD LYS 46 -4.425 5.861 10.256 339 1HE LYS 46 1HE LYS 46 -3.175 6.760 8.443 340 2HE LYS 46 2HE LYS 46 -3.383 5.311 7.447 341 1HZ LYS 46 1HZ LYS 46 -5.607 5.796 7.090 342 2HZ LYS 46 2HZ LYS 46 -5.620 7.092 8.124 343 3HZ LYS 46 3HZ LYS 46 -4.755 7.143 6.717 344 H ASP 47 H ASP 47 -4.417 2.253 8.432 345 HA ASP 47 HA ASP 47 -6.620 1.406 7.443 346 1HB ASP 47 1HB ASP 47 -7.374 3.837 9.030 347 2HB ASP 47 2HB ASP 47 -7.865 3.912 7.355 348 H ALA 48 H ALA 48 -4.498 1.458 6.251 349 HA ALA 48 HA ALA 48 -4.638 3.720 4.277 350 1HB ALA 48 1HB ALA 48 -1.986 2.528 4.176 351 2HB ALA 48 2HB ALA 48 -2.465 4.191 4.408 352 3HB ALA 48 3HB ALA 48 -2.342 3.124 5.815 353 H CYS 49 H CYS 49 -2.922 0.578 4.268 354 HA CYS 49 HA CYS 49 -3.843 0.057 1.594 355 1HB CYS 49 1HB CYS 49 -2.795 -1.996 3.479 356 2HB CYS 49 2HB CYS 49 -2.652 -1.994 1.740 357 H LYS 50 H LYS 50 -4.671 -1.358 4.810 358 HA LYS 50 HA LYS 50 -6.794 -2.979 3.633 359 1HB LYS 50 1HB LYS 50 -5.274 -3.685 5.557 360 2HB LYS 50 2HB LYS 50 -6.145 -2.525 6.563 361 1HG LYS 50 1HG LYS 50 -7.095 -4.612 7.023 362 2HG LYS 50 2HG LYS 50 -8.286 -3.820 5.988 363 1HD LYS 50 1HD LYS 50 -7.169 -5.098 4.010 364 2HD LYS 50 2HD LYS 50 -6.319 -6.034 5.234 365 1HE LYS 50 1HE LYS 50 -9.348 -5.780 4.824 366 2HE LYS 50 2HE LYS 50 -8.354 -7.187 4.428 367 1HZ LYS 50 1HZ LYS 50 -8.857 -6.143 7.136 368 2HZ LYS 50 2HZ LYS 50 -9.505 -7.501 6.476 369 3HZ LYS 50 3HZ LYS 50 -7.893 -7.433 6.784 370 H THR 51 H THR 51 -7.308 -0.505 2.902 371 HA THR 51 HA THR 51 -9.846 0.180 4.270 372 HB THR 51 HB THR 51 -7.827 2.352 3.507 373 HG1 THR 51 HG1 THR 51 -8.290 1.340 6.087 374 1HG2 THR 51 1HG2 THR 51 -10.197 3.066 3.717 375 2HG2 THR 51 2HG2 THR 51 -10.258 2.355 5.348 376 3HG2 THR 51 3HG2 THR 51 -9.184 3.726 5.016 377 H CYS 52 H CYS 52 -7.545 1.211 1.724 378 HA CYS 52 HA CYS 52 -9.380 2.323 -0.005 379 1HB CYS 52 1HB CYS 52 -6.585 1.548 -0.050 380 2HB CYS 52 2HB CYS 52 -7.346 1.075 -1.566 381 H HIS 53 H HIS 53 -8.186 -1.024 -0.089 382 HA HIS 53 HA HIS 53 -9.420 -1.583 -2.545 383 1HB HIS 53 1HB HIS 53 -8.490 -3.669 -0.562 384 2HB HIS 53 2HB HIS 53 -8.540 -3.818 -2.294 385 HD1 HIS 53 HND HIS 53 -6.365 -2.254 0.511 386 HD2 HIS 53 HD HIS 53 -6.387 -2.605 -3.711 387 HE1 HIS 53 HE HIS 53 -4.132 -1.560 -0.332 388 H LYS 54 H LYS 54 -11.392 -0.745 -0.453 389 HA LYS 54 HA LYS 54 -13.009 -2.252 0.910 390 1HB LYS 54 1HB LYS 54 -14.017 -0.348 -1.197 391 2HB LYS 54 2HB LYS 54 -14.950 -0.988 0.162 392 1HG LYS 54 1HG LYS 54 -12.483 0.754 0.387 393 2HG LYS 54 2HG LYS 54 -14.147 1.265 0.487 394 1HD LYS 54 1HD LYS 54 -12.891 -0.685 2.429 395 2HD LYS 54 2HD LYS 54 -13.069 1.054 2.684 396 1HE LYS 54 1HE LYS 54 -15.605 0.717 2.333 397 2HE LYS 54 2HE LYS 54 -15.295 -1.025 2.445 398 1HZ LYS 54 1HZ LYS 54 -14.366 -0.631 4.641 399 2HZ LYS 54 2HZ LYS 54 -14.702 0.975 4.525 400 3HZ LYS 54 3HZ LYS 54 -15.926 -0.118 4.549 401 H SER 55 H SER 55 -13.746 -1.961 -2.568 402 HA SER 55 HA SER 55 -15.201 -4.584 -2.492 403 1HB SER 55 1HB SER 55 -16.680 -2.570 -2.674 404 2HB SER 55 2HB SER 55 -15.816 -2.107 -4.158 405 HG SER 55 HG SER 55 -16.413 -4.208 -4.967 406 H ASN 56 H ASN 56 -12.321 -4.066 -3.064 407 HA ASN 56 HA ASN 56 -12.198 -4.844 -5.962 408 1HB ASN 56 1HB ASN 56 -9.968 -4.150 -4.025 409 2HB ASN 56 2HB ASN 56 -9.793 -4.501 -5.753 410 1HD2 ASN 56 1HD2 ASN 56 -8.727 -2.134 -4.770 411 2HD2 ASN 56 2HD2 ASN 56 -9.729 -0.797 -5.309 412 H ASN 57 H ASN 57 -9.676 -6.438 -5.143 413 HA ASN 57 HA ASN 57 -11.039 -8.866 -4.282 414 1HB ASN 57 1HB ASN 57 -9.079 -9.980 -4.547 415 2HB ASN 57 2HB ASN 57 -8.865 -8.694 -5.731 416 1HD2 ASN 57 1HD2 ASN 57 -7.140 -7.133 -5.339 417 2HD2 ASN 57 2HD2 ASN 57 -5.999 -7.395 -4.029 418 H GLY 58 H GLY 58 -10.834 -9.831 -2.184 419 1HA GLY 58 1HA GLY 58 -10.186 -7.927 0.051 420 2HA GLY 58 2HA GLY 58 -11.624 -8.927 -0.033 421 HA PRO 59 HA PRO 59 -8.033 -11.928 0.900 422 1HB PRO 59 1HB PRO 59 -5.788 -10.987 2.172 423 2HB PRO 59 2HB PRO 59 -5.985 -10.806 0.404 424 1HG PRO 59 1HG PRO 59 -6.634 -8.758 2.545 425 2HG PRO 59 2HG PRO 59 -5.631 -8.522 1.080 426 1HD PRO 59 1HD PRO 59 -8.270 -7.837 1.172 427 2HD PRO 59 2HD PRO 59 -7.545 -8.498 -0.322 428 H THR 60 H THR 60 -7.081 -12.770 2.991 429 HA THR 60 HA THR 60 -9.604 -12.704 4.557 430 HB THR 60 HB THR 60 -9.872 -13.365 2.206 431 HG1 THR 60 HG1 THR 60 -11.135 -14.902 2.605 432 1HG2 THR 60 1HG2 THR 60 -9.040 -15.421 1.292 433 2HG2 THR 60 2HG2 THR 60 -7.647 -14.448 1.766 434 3HG2 THR 60 3HG2 THR 60 -8.169 -15.823 2.772 435 H LYS 61 H LYS 61 -6.595 -14.553 3.867 436 HA LYS 61 HA LYS 61 -6.335 -15.145 6.780 437 1HB LYS 61 1HB LYS 61 -5.787 -17.013 4.430 438 2HB LYS 61 2HB LYS 61 -5.288 -17.319 6.096 439 1HG LYS 61 1HG LYS 61 -8.181 -17.025 5.159 440 2HG LYS 61 2HG LYS 61 -7.315 -18.545 5.422 441 1HD LYS 61 1HD LYS 61 -6.906 -17.715 7.857 442 2HD LYS 61 2HD LYS 61 -8.050 -16.420 7.491 443 1HE LYS 61 1HE LYS 61 -9.269 -18.108 8.634 444 2HE LYS 61 2HE LYS 61 -9.807 -18.112 6.949 445 1HZ LYS 61 1HZ LYS 61 -8.405 -20.041 6.587 446 2HZ LYS 61 2HZ LYS 61 -7.870 -19.999 8.143 447 3HZ LYS 61 3HZ LYS 61 -9.448 -20.326 7.823 448 H CYS 62 H CYS 62 -5.401 -12.949 6.203 449 HA CYS 62 HA CYS 62 -3.775 -11.536 5.617 450 1HB CYS 62 1HB CYS 62 -1.877 -13.784 6.353 451 2HB CYS 62 2HB CYS 62 -1.532 -12.045 6.394 452 H GLY 63 H GLY 63 -1.094 -12.840 4.510 453 1HA GLY 63 1HA GLY 63 -0.305 -13.961 2.675 454 2HA GLY 63 2HA GLY 63 -1.967 -14.346 2.214 455 H GLY 64 H GLY 64 -3.034 -11.836 1.877 456 1HA GLY 64 1HA GLY 64 -2.785 -11.124 -0.694 457 2HA GLY 64 2HA GLY 64 -3.135 -9.951 0.597 458 H CYS 65 H CYS 65 -0.688 -9.851 1.870 459 HA CYS 65 HA CYS 65 0.759 -8.109 -0.092 460 1HB CYS 65 1HB CYS 65 0.103 -7.613 2.799 461 2HB CYS 65 2HB CYS 65 0.740 -6.436 1.644 462 H HIS 66 H HIS 66 1.061 -9.639 3.154 463 HA HIS 66 HA HIS 66 3.956 -9.509 3.169 464 1HB HIS 66 1HB HIS 66 2.026 -11.192 4.826 465 2HB HIS 66 2HB HIS 66 3.741 -11.012 5.131 466 HD1 HIS 66 HND HIS 66 4.529 -8.353 5.759 467 HD2 HIS 66 HD HIS 66 0.445 -9.344 5.968 468 HE1 HIS 66 HE HIS 66 3.360 -6.536 7.117 469 H ILE 67 H ILE 67 5.301 -10.872 2.076 470 HA ILE 67 HA ILE 67 4.265 -13.330 0.829 471 HB ILE 67 HB ILE 67 7.051 -12.113 0.812 472 1HG1 ILE 67 1HG1 ILE 67 5.507 -10.467 -0.113 473 2HG1 ILE 67 2HG1 ILE 67 6.509 -11.173 -1.372 474 1HG2 ILE 67 1HG2 ILE 67 7.108 -14.451 0.160 475 2HG2 ILE 67 2HG2 ILE 67 5.731 -14.240 -0.930 476 3HG2 ILE 67 3HG2 ILE 67 7.286 -13.458 -1.289 477 1HD1 ILE 67 1HD1 ILE 67 4.213 -10.887 -2.135 478 2HD1 ILE 67 2HD1 ILE 67 4.598 -12.613 -2.081 479 3HD1 ILE 67 3HD1 ILE 67 3.592 -11.875 -0.809 480 H LYS 68 H LYS 68 3.640 -14.264 2.960 481 HA LYS 68 HA LYS 68 5.624 -16.162 3.667 482 1HB LYS 68 1HB LYS 68 5.952 -14.063 5.301 483 2HB LYS 68 2HB LYS 68 4.423 -14.594 5.979 484 1HG LYS 68 1HG LYS 68 6.046 -15.636 7.348 485 2HG LYS 68 2HG LYS 68 5.463 -16.908 6.276 486 1HD LYS 68 1HD LYS 68 7.813 -17.174 6.351 487 2HD LYS 68 2HD LYS 68 7.493 -16.430 4.779 488 1HE LYS 68 1HE LYS 68 8.038 -14.169 5.818 489 2HE LYS 68 2HE LYS 68 8.467 -15.009 7.316 490 1HZ LYS 68 1HZ LYS 68 9.742 -15.286 4.676 491 2HZ LYS 68 2HZ LYS 68 10.362 -14.520 5.992 492 3HZ LYS 68 3HZ LYS 68 10.174 -16.157 6.011 493 HHA HEC 69 HCM HEC 69 8.337 6.576 -1.945 494 HHB HEC 69 HDM HEC 69 6.817 10.136 -7.059 495 HHC HEC 69 HAM HEC 69 1.286 6.917 -7.465 496 HHD HEC 69 HBM HEC 69 2.335 4.703 -1.565 497 1HMA HEC 69 HM81 HEC 69 10.138 10.329 -5.217 498 2HMA HEC 69 HM82 HEC 69 9.611 9.660 -6.779 499 3HMA HEC 69 HM83 HEC 69 8.730 11.015 -6.030 500 1HAA HEC 69 HP71 HEC 69 10.594 8.803 -3.181 501 2HAA HEC 69 HP72 HEC 69 10.182 7.095 -2.989 502 1HBA HEC 69 HP73 HEC 69 11.293 8.356 -5.495 503 2HBA HEC 69 HP74 HEC 69 12.117 7.306 -4.355 504 1HMB HEC 69 HM11 HEC 69 5.285 11.377 -8.295 505 2HMB HEC 69 HM12 HEC 69 5.603 10.228 -9.616 506 3HMB HEC 69 HM13 HEC 69 4.013 11.020 -9.447 507 HAB HEC 69 HT2A HEC 69 1.605 7.907 -9.325 508 1HBB HEC 69 HT21 HEC 69 3.728 9.356 -10.956 509 2HBB HEC 69 HT22 HEC 69 3.728 7.615 -10.658 510 3HBB HEC 69 HT23 HEC 69 2.393 8.386 -11.555 511 1HMC HEC 69 HM31 HEC 69 -0.831 6.864 -6.020 512 2HMC HEC 69 HM32 HEC 69 -0.482 5.320 -6.843 513 3HMC HEC 69 HM33 HEC 69 -1.372 5.357 -5.306 514 HAC HEC 69 HT4A HEC 69 0.308 4.580 -1.899 515 1HBC HEC 69 HT41 HEC 69 -1.473 3.552 -4.091 516 2HBC HEC 69 HT42 HEC 69 -0.009 2.704 -3.550 517 3HBC HEC 69 HT43 HEC 69 -1.329 3.028 -2.419 518 1HMD HEC 69 HM51 HEC 69 4.909 4.098 1.049 519 2HMD HEC 69 HM52 HEC 69 3.338 4.839 0.650 520 3HMD HEC 69 HM53 HEC 69 3.848 3.368 -0.163 521 1HAD HEC 69 HP61 HEC 69 7.950 6.100 0.067 522 2HAD HEC 69 HP62 HEC 69 6.783 5.330 1.073 523 1HBD HEC 69 HP63 HEC 69 7.348 3.137 0.158 524 2HBD HEC 69 HP64 HEC 69 8.441 3.893 -1.019 525 HHA HEC 70 HCM HEC 70 -4.045 -4.198 -6.759 526 HHB HEC 70 HDM HEC 70 -0.349 -4.129 -1.538 527 HHC HEC 70 HAM HEC 70 -2.580 1.639 -0.063 528 HHD HEC 70 HBM HEC 70 -6.578 1.421 -5.022 529 1HMA HEC 70 HM81 HEC 70 0.316 -6.043 -3.404 530 2HMA HEC 70 HM82 HEC 70 -0.902 -6.404 -2.155 531 3HMA HEC 70 HM83 HEC 70 -1.000 -7.207 -3.710 532 1HAA HEC 70 HP71 HEC 70 -2.257 -5.663 -6.961 533 2HAA HEC 70 HP72 HEC 70 -1.420 -6.779 -5.891 534 1HBA HEC 70 HP73 HEC 70 -4.435 -6.491 -6.132 535 2HBA HEC 70 HP74 HEC 70 -3.443 -7.790 -6.802 536 1HMB HEC 70 HM11 HEC 70 0.856 -2.060 1.375 537 2HMB HEC 70 HM12 HEC 70 -0.081 -3.504 0.959 538 3HMB HEC 70 HM13 HEC 70 1.219 -2.949 -0.113 539 HAB HEC 70 HT2A HEC 70 -1.416 1.121 1.468 540 1HBB HEC 70 HT21 HEC 70 0.761 1.556 2.179 541 2HBB HEC 70 HT22 HEC 70 1.408 0.118 1.372 542 3HBB HEC 70 HT23 HEC 70 0.787 1.472 0.410 543 1HMC HEC 70 HM31 HEC 70 -3.187 3.898 -0.811 544 2HMC HEC 70 HM32 HEC 70 -4.803 4.509 -1.158 545 3HMC HEC 70 HM33 HEC 70 -4.581 3.337 0.153 546 HAC HEC 70 HT4A HEC 70 -7.454 2.610 -3.423 547 1HBC HEC 70 HT41 HEC 70 -5.866 5.163 -3.065 548 2HBC HEC 70 HT42 HEC 70 -6.329 4.404 -4.609 549 3HBC HEC 70 HT43 HEC 70 -7.569 5.052 -3.538 550 1HMD HEC 70 HM51 HEC 70 -7.057 -0.158 -8.390 551 2HMD HEC 70 HM52 HEC 70 -8.198 -0.369 -7.049 552 3HMD HEC 70 HM53 HEC 70 -7.149 1.063 -7.122 553 1HAD HEC 70 HP61 HEC 70 -5.740 -3.786 -8.081 554 2HAD HEC 70 HP62 HEC 70 -7.003 -2.632 -8.400 555 1HBD HEC 70 HP63 HEC 70 -5.912 -1.748 -10.108 556 2HBD HEC 70 HP64 HEC 70 -4.537 -1.334 -9.082 557 HHA HEC 71 HCM HEC 71 3.388 -3.793 9.140 558 HHB HEC 71 HDM HEC 71 0.690 -9.106 11.416 559 HHC HEC 71 HAM HEC 71 -2.791 -9.589 6.067 560 HHD HEC 71 HBM HEC 71 -0.054 -4.312 3.825 561 1HMA HEC 71 HM81 HEC 71 1.768 -7.251 13.395 562 2HMA HEC 71 HM82 HEC 71 2.580 -8.645 12.655 563 3HMA HEC 71 HM83 HEC 71 3.521 -7.223 13.125 564 1HAA HEC 71 HP71 HEC 71 4.353 -4.183 11.017 565 2HAA HEC 71 HP72 HEC 71 4.228 -5.150 12.467 566 1HBA HEC 71 HP73 HEC 71 5.401 -6.959 11.440 567 2HBA HEC 71 HP74 HEC 71 5.330 -6.167 9.835 568 1HMB HEC 71 HM11 HEC 71 -1.437 -10.726 11.727 569 2HMB HEC 71 HM12 HEC 71 -1.516 -12.051 10.543 570 3HMB HEC 71 HM13 HEC 71 0.045 -11.368 10.975 571 HAB HEC 71 HT2A HEC 71 -3.831 -10.639 7.661 572 1HBB HEC 71 HT21 HEC 71 -4.403 -9.811 9.874 573 2HBB HEC 71 HT22 HEC 71 -5.095 -11.403 9.512 574 3HBB HEC 71 HT23 HEC 71 -3.710 -11.274 10.604 575 1HMC HEC 71 HM31 HEC 71 -3.498 -8.186 2.703 576 2HMC HEC 71 HM32 HEC 71 -2.945 -9.489 3.743 577 3HMC HEC 71 HM33 HEC 71 -4.293 -8.454 4.269 578 HAC HEC 71 HT4A HEC 71 -1.504 -4.845 2.460 579 1HBC HEC 71 HT41 HEC 71 -3.826 -4.570 3.144 580 2HBC HEC 71 HT42 HEC 71 -3.637 -4.815 1.396 581 3HBC HEC 71 HT43 HEC 71 -4.239 -6.130 2.409 582 1HMD HEC 71 HM51 HEC 71 2.627 -2.788 3.749 583 2HMD HEC 71 HM52 HEC 71 0.900 -2.363 3.798 584 3HMD HEC 71 HM53 HEC 71 2.087 -1.383 4.644 585 1HAD HEC 71 HP61 HEC 71 2.998 -1.067 6.643 586 2HAD HEC 71 HP62 HEC 71 3.029 -1.743 8.263 587 1HBD HEC 71 HP63 HEC 71 5.289 -1.358 7.333 588 2HBD HEC 71 HP64 HEC 71 5.014 -3.073 7.692
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