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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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11779 |
1s05 ![]() ![]() |
cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 1H GLN 1 H GLN 1 -21.659 0.127 -2.958 2 HA GLN 1 HA GLN 1 -20.183 -2.046 -2.318 3 2HB GLN 1 2HB GLN 1 -22.359 -3.315 -2.425 4 2HG GLN 1 2HG GLN 1 -22.032 -0.634 -1.114 5 1HE2 GLN 1 1HE2 GLN 1 -23.680 -0.409 0.758 6 2HE2 GLN 1 2HE2 GLN 1 -25.351 -0.412 0.304 7 H GLN 2 H GLN 2 -21.932 -1.393 -5.426 8 HA GLN 2 HA GLN 2 -21.560 -3.722 -6.686 9 2HB GLN 2 2HB GLN 2 -21.362 -2.282 -8.820 10 2HG GLN 2 2HG GLN 2 -23.529 -2.877 -7.235 11 1HE2 GLN 2 1HE2 GLN 2 -24.850 -1.967 -5.863 12 2HE2 GLN 2 2HE2 GLN 2 -25.057 -0.273 -5.569 13 H ASP 3 H ASP 3 -19.210 -0.940 -6.802 14 HA ASP 3 HA ASP 3 -17.172 -2.946 -7.379 15 2HB ASP 3 2HB ASP 3 -16.006 -1.324 -8.720 16 H LEU 4 H LEU 4 -16.622 -3.207 -5.104 17 HA LEU 4 HA LEU 4 -15.416 -0.807 -3.918 18 2HB LEU 4 2HB LEU 4 -17.675 -1.792 -2.975 19 HG LEU 4 HG LEU 4 -15.570 -3.561 -1.743 20 1HD1 LEU 4 1HD1 LEU 4 -17.378 -1.978 -0.250 21 2HD1 LEU 4 2HD1 LEU 4 -18.000 -3.645 -0.222 22 3HD1 LEU 4 3HD1 LEU 4 -16.339 -3.306 0.320 23 1HD2 LEU 4 1HD2 LEU 4 -17.400 -4.145 -3.605 24 2HD2 LEU 4 2HD2 LEU 4 -16.872 -5.309 -2.365 25 3HD2 LEU 4 3HD2 LEU 4 -18.392 -4.406 -2.149 26 H VAL 5 H VAL 5 -15.507 -4.432 -3.962 27 HA VAL 5 HA VAL 5 -13.168 -4.895 -2.620 28 HB VAL 5 HB VAL 5 -14.743 -6.615 -3.231 29 1HG1 VAL 5 1HG1 VAL 5 -13.801 -6.421 -6.103 30 2HG1 VAL 5 2HG1 VAL 5 -15.151 -7.375 -5.443 31 3HG1 VAL 5 3HG1 VAL 5 -15.264 -5.599 -5.508 32 1HG2 VAL 5 1HG2 VAL 5 -11.969 -7.014 -4.389 33 2HG2 VAL 5 2HG2 VAL 5 -12.537 -7.414 -2.751 34 3HG2 VAL 5 3HG2 VAL 5 -13.143 -8.332 -4.152 35 H ASP 6 H ASP 6 -13.699 -3.726 -5.944 36 HA ASP 6 HA ASP 6 -10.981 -4.141 -6.660 37 2HB ASP 6 2HB ASP 6 -11.737 -2.586 -8.630 38 H LYS 7 H LYS 7 -13.177 -1.324 -5.950 39 HA LYS 7 HA LYS 7 -11.480 0.751 -6.310 40 2HB LYS 7 2HB LYS 7 -13.983 0.318 -5.115 41 2HG LYS 7 2HG LYS 7 -12.492 0.466 -2.937 42 2HD LYS 7 2HD LYS 7 -12.447 3.289 -4.048 43 2HE LYS 7 2HE LYS 7 -11.564 3.293 -1.326 44 1HZ LYS 7 1HZ LYS 7 -12.694 5.013 -2.799 45 2HZ LYS 7 2HZ LYS 7 -14.102 4.396 -2.250 46 3HZ LYS 7 3HZ LYS 7 -13.028 5.038 -1.201 47 H THR 8 H THR 8 -11.556 -1.587 -3.595 48 HA THR 8 HA THR 8 -9.547 -0.137 -2.128 49 HB THR 8 HB THR 8 -11.328 -1.427 -0.983 50 HG1 THR 8 1HG THR 8 -9.667 -1.861 0.410 51 1HG2 THR 8 1HG2 THR 8 -11.677 -3.262 -2.630 52 2HG2 THR 8 2HG2 THR 8 -10.013 -3.831 -2.354 53 3HG2 THR 8 3HG2 THR 8 -11.217 -3.935 -1.048 54 H GLN 9 H GLN 9 -9.689 -3.103 -4.177 55 HA GLN 9 HA GLN 9 -7.131 -3.933 -3.751 56 2HB GLN 9 2HB GLN 9 -7.475 -4.647 -6.353 57 2HG GLN 9 2HG GLN 9 -9.191 -6.415 -5.254 58 1HE2 GLN 9 1HE2 GLN 9 -8.045 -8.186 -3.898 59 2HE2 GLN 9 2HE2 GLN 9 -6.407 -8.537 -4.340 60 H LYS 10 H LYS 10 -8.376 -1.555 -6.183 61 HA LYS 10 HA LYS 10 -5.872 -1.101 -7.373 62 2HB LYS 10 2HB LYS 10 -7.907 -0.598 -8.552 63 2HG LYS 10 2HG LYS 10 -9.005 0.197 -6.216 64 2HD LYS 10 2HD LYS 10 -7.618 2.589 -7.331 65 2HE LYS 10 2HE LYS 10 -9.482 4.100 -6.519 66 1HZ LYS 10 1HZ LYS 10 -10.973 3.429 -8.475 67 2HZ LYS 10 2HZ LYS 10 -9.455 3.948 -8.782 68 3HZ LYS 10 3HZ LYS 10 -9.797 2.351 -8.826 69 H LEU 11 H LEU 11 -7.622 0.385 -4.608 70 HA LEU 11 HA LEU 11 -5.925 2.554 -4.250 71 2HB LEU 11 2HB LEU 11 -6.879 1.594 -1.736 72 HG LEU 11 HG LEU 11 -6.777 4.000 -2.548 73 1HD1 LEU 11 1HD1 LEU 11 -8.955 4.770 -3.637 74 2HD1 LEU 11 2HD1 LEU 11 -7.767 3.946 -4.676 75 3HD1 LEU 11 3HD1 LEU 11 -9.197 3.066 -4.087 76 1HD2 LEU 11 1HD2 LEU 11 -8.065 2.996 -0.516 77 2HD2 LEU 11 2HD2 LEU 11 -8.371 4.675 -1.020 78 3HD2 LEU 11 3HD2 LEU 11 -9.513 3.387 -1.475 79 H MET 12 H MET 12 -5.797 -0.804 -2.903 80 HA MET 12 HA MET 12 -3.392 -0.239 -1.520 81 2HB MET 12 2HB MET 12 -4.872 -2.827 -2.239 82 2HG MET 12 2HG MET 12 -2.386 -3.181 -1.796 83 1HE MET 12 1HE MET 12 -4.336 -2.872 1.467 84 2HE MET 12 2HE MET 12 -3.436 -1.670 2.424 85 3HE MET 12 3HE MET 12 -4.409 -1.149 1.027 86 H LYS 13 H LYS 13 -4.291 -1.534 -4.712 87 HA LYS 13 HA LYS 13 -1.744 -2.654 -5.268 88 2HB LYS 13 2HB LYS 13 -4.032 -1.861 -7.095 89 2HG LYS 13 2HG LYS 13 -1.988 -3.981 -7.729 90 2HD LYS 13 2HD LYS 13 -3.159 -1.928 -9.619 91 2HE LYS 13 2HE LYS 13 -2.829 -4.904 -10.083 92 1HZ LYS 13 1HZ LYS 13 -2.844 -2.467 -11.693 93 2HZ LYS 13 2HZ LYS 13 -2.202 -3.849 -12.279 94 3HZ LYS 13 3HZ LYS 13 -3.777 -3.797 -11.850 95 H ASP 14 H ASP 14 -3.141 0.574 -5.334 96 HA ASP 14 HA ASP 14 -1.443 1.668 -7.237 97 2HB ASP 14 2HB ASP 14 -1.951 3.775 -5.548 98 H ASN 15 H ASN 15 -1.143 0.864 -3.780 99 HA ASN 15 HA ASN 15 0.805 2.507 -2.936 100 2HB ASN 15 2HB ASN 15 1.574 0.500 -1.510 101 1HD2 ASN 15 1HD2 ASN 15 0.312 2.811 -1.102 102 2HD2 ASN 15 2HD2 ASN 15 -1.145 2.614 -0.187 103 H GLY 16 H GLY 16 1.050 -0.467 -4.971 104 1HA GLY 16 1HA GLY 16 3.936 -0.409 -5.053 105 2HA GLY 16 2HA GLY 16 2.856 -1.492 -5.908 106 H ARG 17 H ARG 17 1.169 0.748 -7.005 107 HA ARG 17 HA ARG 17 2.588 1.084 -9.362 108 2HB ARG 17 2HB ARG 17 0.695 2.788 -9.855 109 2HG ARG 17 2HG ARG 17 -0.229 0.090 -8.771 110 2HD ARG 17 2HD ARG 17 -2.130 0.388 -10.031 111 HE ARG 17 HE ARG 17 -2.429 2.500 -8.979 112 1HH1 ARG 17 2HH2 ARG 17 -0.370 2.778 -11.819 113 2HH1 ARG 17 1HH2 ARG 17 -0.469 4.506 -11.879 114 1HH2 ARG 17 2HH1 ARG 17 -2.560 4.780 -9.057 115 2HH2 ARG 17 1HH1 ARG 17 -1.722 5.652 -10.298 116 H ASN 18 H ASN 18 2.120 3.121 -6.450 117 HA ASN 18 HA ASN 18 3.297 5.398 -7.674 118 2HB ASN 18 2HB ASN 18 1.585 5.305 -5.689 119 1HD2 ASN 18 1HD2 ASN 18 1.265 4.114 -3.979 120 2HD2 ASN 18 2HD2 ASN 18 2.406 3.732 -2.733 121 H MET 19 H MET 19 4.247 2.629 -5.617 122 HA MET 19 HA MET 19 6.733 3.723 -4.855 123 2HB MET 19 2HB MET 19 5.914 0.772 -4.980 124 2HG MET 19 2HG MET 19 7.496 2.086 -2.761 125 1HE MET 19 1HE MET 19 9.520 -1.631 -3.344 126 2HE MET 19 2HE MET 19 9.599 -0.189 -4.384 127 3HE MET 19 3HE MET 19 9.895 -0.043 -2.635 128 H MET 20 H MET 20 5.551 2.533 -7.820 129 HA MET 20 HA MET 20 7.350 0.920 -8.885 130 2HB MET 20 2HB MET 20 6.225 3.501 -10.107 131 2HG MET 20 2HG MET 20 6.944 1.016 -11.687 132 1HE MET 20 1HE MET 20 8.281 3.855 -14.195 133 2HE MET 20 2HE MET 20 7.853 5.069 -12.965 134 3HE MET 20 3HE MET 20 8.828 3.649 -12.514 135 H VAL 21 H VAL 21 7.749 4.541 -8.978 136 HA VAL 21 HA VAL 21 10.378 4.423 -9.933 137 HB VAL 21 HB VAL 21 8.844 6.559 -8.443 138 1HG1 VAL 21 1HG1 VAL 21 10.577 7.993 -8.593 139 2HG1 VAL 21 2HG1 VAL 21 11.566 6.518 -8.703 140 3HG1 VAL 21 3HG1 VAL 21 11.083 7.378 -10.184 141 1HG2 VAL 21 1HG2 VAL 21 8.315 7.478 -10.567 142 2HG2 VAL 21 2HG2 VAL 21 9.468 6.409 -11.403 143 3HG2 VAL 21 3HG2 VAL 21 7.982 5.734 -10.693 144 H LEU 22 H LEU 22 9.002 4.786 -6.603 145 HA LEU 22 HA LEU 22 11.371 5.117 -5.252 146 2HB LEU 22 2HB LEU 22 8.671 4.048 -4.583 147 HG LEU 22 HG LEU 22 9.911 2.640 -3.116 148 1HD1 LEU 22 1HD1 LEU 22 11.922 4.628 -3.331 149 2HD1 LEU 22 2HD1 LEU 22 11.517 4.464 -1.605 150 3HD1 LEU 22 3HD1 LEU 22 12.015 3.035 -2.542 151 1HD2 LEU 22 1HD2 LEU 22 9.604 4.619 -1.037 152 2HD2 LEU 22 2HD2 LEU 22 8.258 4.717 -2.198 153 3HD2 LEU 22 3HD2 LEU 22 8.626 3.175 -1.389 154 H GLY 23 H GLY 23 10.040 2.266 -6.847 155 1HA GLY 23 1HA GLY 23 11.689 0.373 -5.453 156 2HA GLY 23 2HA GLY 23 10.713 0.100 -6.884 157 H ALA 24 H ALA 24 11.616 1.578 -8.892 158 HA ALA 24 HA ALA 24 13.832 0.402 -9.842 159 1HB ALA 24 1HB ALA 24 13.052 1.667 -11.534 160 2HB ALA 24 2HB ALA 24 12.259 2.795 -10.409 161 3HB ALA 24 3HB ALA 24 13.971 3.025 -10.842 162 H ILE 25 H ILE 25 13.779 3.585 -8.083 163 HA ILE 25 HA ILE 25 16.544 3.904 -8.067 164 HB ILE 25 HB ILE 25 16.136 5.556 -6.332 165 2HG1 ILE 25 2HG1 ILE 25 14.607 4.611 -4.842 166 1HG2 ILE 25 1HG2 ILE 25 15.660 6.040 -8.730 167 2HG2 ILE 25 2HG2 ILE 25 13.950 5.652 -8.426 168 3HG2 ILE 25 3HG2 ILE 25 14.714 7.025 -7.589 169 1HD1 ILE 25 1HD1 ILE 25 14.131 7.089 -5.656 170 2HD1 ILE 25 2HD1 ILE 25 12.665 6.364 -6.357 171 3HD1 ILE 25 3HD1 ILE 25 12.957 6.261 -4.604 172 H ALA 26 H ALA 26 14.295 2.363 -5.691 173 HA ALA 26 HA ALA 26 16.146 1.825 -3.722 174 1HB ALA 26 1HB ALA 26 14.448 -0.318 -3.600 175 2HB ALA 26 2HB ALA 26 14.059 1.305 -2.981 176 3HB ALA 26 3HB ALA 26 13.498 0.810 -4.596 177 H LYS 27 H LYS 27 15.280 -0.066 -6.682 178 HA LYS 27 HA LYS 27 17.077 -2.168 -6.067 179 2HB LYS 27 2HB LYS 27 16.641 -2.383 -8.749 180 2HG LYS 27 2HG LYS 27 15.996 -3.869 -6.658 181 2HD LYS 27 2HD LYS 27 13.234 -2.822 -7.350 182 2HE LYS 27 2HE LYS 27 13.022 -3.678 -4.838 183 1HZ LYS 27 1HZ LYS 27 11.851 -4.855 -6.381 184 2HZ LYS 27 2HZ LYS 27 13.150 -5.230 -7.296 185 3HZ LYS 27 3HZ LYS 27 12.898 -6.004 -5.881 186 H GLY 28 H GLY 28 17.208 0.756 -8.190 187 1HA GLY 28 1HA GLY 28 19.506 1.800 -7.976 188 2HA GLY 28 2HA GLY 28 20.096 0.251 -8.545 189 H GLU 29 H GLU 29 17.164 2.157 -9.521 190 HA GLU 29 HA GLU 29 18.314 2.197 -12.203 191 2HB GLU 29 2HB GLU 29 15.836 2.239 -12.952 192 2HG GLU 29 2HG GLU 29 15.626 -0.332 -12.291 193 H LYS 30 H LYS 30 17.976 4.125 -13.473 194 HA LYS 30 HA LYS 30 17.915 6.316 -13.746 195 2HB LYS 30 2HB LYS 30 15.438 5.678 -13.449 196 2HG LYS 30 2HG LYS 30 14.817 7.437 -11.365 197 2HD LYS 30 2HD LYS 30 14.655 4.941 -10.170 198 2HE LYS 30 2HE LYS 30 12.640 6.142 -10.373 199 1HZ LYS 30 1HZ LYS 30 11.869 6.668 -12.724 200 2HZ LYS 30 2HZ LYS 30 13.039 7.606 -12.078 201 3HZ LYS 30 3HZ LYS 30 13.426 6.451 -13.165 202 HA PRO 31 HA PRO 31 20.149 8.057 -10.484 203 2HB PRO 31 2HB PRO 31 21.427 9.303 -11.939 204 2HG PRO 31 2HG PRO 31 20.470 9.650 -14.008 205 2HD PRO 31 2HD PRO 31 19.042 7.850 -14.105 206 H TYR 32 H TYR 32 17.622 7.606 -9.686 207 HA TYR 32 HA TYR 32 16.058 8.316 -8.284 208 2HB TYR 32 2HB TYR 32 18.328 10.303 -7.647 209 HD1 TYR 32 1HD TYR 32 15.346 8.555 -6.182 210 HD2 TYR 32 2HD TYR 32 18.038 11.872 -5.954 211 HE1 TYR 32 1HE TYR 32 13.970 9.552 -4.291 212 HE2 TYR 32 2HE TYR 32 16.652 12.858 -4.065 213 HH TYR 32 HH TYR 32 15.106 11.947 -2.304 214 H ASP 33 H ASP 33 14.572 10.150 -7.634 215 HA ASP 33 HA ASP 33 14.691 12.272 -9.625 216 2HB ASP 33 2HB ASP 33 12.036 12.081 -9.364 217 H GLN 34 H GLN 34 12.854 11.090 -6.695 218 HA GLN 34 HA GLN 34 12.741 12.024 -4.682 219 2HB GLN 34 2HB GLN 34 13.681 14.712 -5.746 220 2HG GLN 34 2HG GLN 34 14.685 13.946 -3.151 221 1HE2 GLN 34 1HE2 GLN 34 13.801 15.502 -1.496 222 2HE2 GLN 34 2HE2 GLN 34 13.426 17.110 -2.024 223 H ALA 35 H ALA 35 11.967 14.326 -7.386 224 HA ALA 35 HA ALA 35 9.653 15.319 -6.069 225 1HB ALA 35 1HB ALA 35 9.246 16.280 -8.412 226 2HB ALA 35 2HB ALA 35 10.766 16.750 -7.616 227 3HB ALA 35 3HB ALA 35 10.775 15.501 -8.884 228 H ALA 36 H ALA 36 10.414 12.587 -8.196 229 HA ALA 36 HA ALA 36 7.714 12.130 -8.984 230 1HB ALA 36 1HB ALA 36 9.049 9.752 -9.344 231 2HB ALA 36 2HB ALA 36 9.042 11.098 -10.508 232 3HB ALA 36 3HB ALA 36 10.390 10.923 -9.359 233 H VAL 37 H VAL 37 9.845 11.160 -6.290 234 HA VAL 37 HA VAL 37 8.005 9.154 -5.376 235 HB VAL 37 HB VAL 37 10.624 10.300 -4.493 236 1HG1 VAL 37 1HG1 VAL 37 8.588 9.005 -2.737 237 2HG1 VAL 37 2HG1 VAL 37 10.281 8.491 -2.548 238 3HG1 VAL 37 3HG1 VAL 37 9.845 10.205 -2.347 239 1HG2 VAL 37 1HG2 VAL 37 10.866 8.523 -6.014 240 2HG2 VAL 37 2HG2 VAL 37 11.122 7.776 -4.420 241 3HG2 VAL 37 3HG2 VAL 37 9.565 7.575 -5.257 242 H ASP 38 H ASP 38 8.848 12.568 -4.659 243 HA ASP 38 HA ASP 38 7.758 13.023 -2.317 244 2HB ASP 38 2HB ASP 38 7.682 14.545 -4.910 245 H ALA 39 H ALA 39 5.881 12.986 -5.448 246 HA ALA 39 HA ALA 39 3.365 13.264 -4.267 247 1HB ALA 39 1HB ALA 39 2.731 12.110 -6.568 248 2HB ALA 39 2HB ALA 39 3.413 13.753 -6.534 249 3HB ALA 39 3HB ALA 39 4.457 12.365 -6.922 250 H ALA 40 H ALA 40 4.962 10.292 -5.636 251 HA ALA 40 HA ALA 40 3.072 8.487 -4.815 252 1HB ALA 40 1HB ALA 40 4.573 7.391 -6.107 253 2HB ALA 40 2HB ALA 40 5.901 8.482 -5.645 254 3HB ALA 40 3HB ALA 40 5.465 7.115 -4.592 255 H LEU 41 H LEU 41 5.249 10.419 -2.902 256 HA LEU 41 HA LEU 41 5.335 8.635 -0.674 257 2HB LEU 41 2HB LEU 41 5.889 11.587 -0.595 258 HG LEU 41 HG LEU 41 6.245 10.565 1.531 259 1HD1 LEU 41 1HD1 LEU 41 6.369 8.318 1.476 260 2HD1 LEU 41 2HD1 LEU 41 7.231 8.292 -0.082 261 3HD1 LEU 41 3HD1 LEU 41 8.123 8.614 1.424 262 1HD2 LEU 41 1HD2 LEU 41 8.112 11.736 1.760 263 2HD2 LEU 41 2HD2 LEU 41 9.051 10.416 1.021 264 3HD2 LEU 41 3HD2 LEU 41 8.354 11.694 -0.003 265 H LYS 42 H LYS 42 3.771 11.882 -1.178 266 HA LYS 42 HA LYS 42 2.187 11.704 1.103 267 2HB LYS 42 2HB LYS 42 1.581 13.267 -1.421 268 2HG LYS 42 2HG LYS 42 0.170 13.043 0.982 269 2HD LYS 42 2HD LYS 42 0.530 15.413 1.932 270 2HE LYS 42 2HE LYS 42 2.964 13.636 2.330 271 1HZ LYS 42 1HZ LYS 42 1.331 14.882 4.386 272 2HZ LYS 42 2HZ LYS 42 2.926 14.531 4.406 273 3HZ LYS 42 3HZ LYS 42 2.382 15.811 3.550 274 H GLN 43 H GLN 43 2.058 9.951 -1.857 275 HA GLN 43 HA GLN 43 -0.731 9.639 -1.977 276 2HB GLN 43 2HB GLN 43 1.323 9.111 -3.686 277 2HG GLN 43 2HG GLN 43 1.702 6.984 -2.124 278 1HE2 GLN 43 1HE2 GLN 43 -0.399 6.561 -4.973 279 2HE2 GLN 43 2HE2 GLN 43 -1.396 5.302 -4.326 280 H PHE 44 H PHE 44 1.858 8.176 -0.089 281 HA PHE 44 HA PHE 44 0.530 5.760 0.510 282 2HB PHE 44 2HB PHE 44 2.274 5.854 2.434 283 HD1 PHE 44 1HD PHE 44 2.214 4.118 0.289 284 HD2 PHE 44 2HD PHE 44 4.617 7.596 0.663 285 HE1 PHE 44 1HE PHE 44 3.864 3.153 -1.338 286 HE2 PHE 44 2HE PHE 44 6.267 6.630 -0.963 287 HZ PHE 44 HZ PHE 44 5.870 4.421 -1.945 288 H ASP 45 H ASP 45 0.465 9.061 1.864 289 HA ASP 45 HA ASP 45 -0.750 8.288 4.276 290 2HB ASP 45 2HB ASP 45 -0.321 10.877 2.777 291 H GLU 46 H GLU 46 -1.980 10.188 1.406 292 HA GLU 46 HA GLU 46 -4.575 10.289 2.028 293 2HB GLU 46 2HB GLU 46 -4.056 9.602 -0.825 294 2HG GLU 46 2HG GLU 46 -5.075 11.907 -1.091 295 H THR 47 H THR 47 -3.006 7.614 0.125 296 HA THR 47 HA THR 47 -5.291 6.035 -0.100 297 HB THR 47 HB THR 47 -2.890 5.958 -1.224 298 HG1 THR 47 1HG THR 47 -4.276 3.558 -0.257 299 1HG2 THR 47 1HG2 THR 47 -2.504 3.665 0.698 300 2HG2 THR 47 2HG2 THR 47 -1.289 4.552 -0.253 301 3HG2 THR 47 3HG2 THR 47 -1.966 5.277 1.226 302 H ALA 48 H ALA 48 -3.207 6.672 2.652 303 HA ALA 48 HA ALA 48 -4.298 4.355 4.049 304 1HB ALA 48 1HB ALA 48 -2.582 4.770 5.670 305 2HB ALA 48 2HB ALA 48 -1.826 4.974 4.072 306 3HB ALA 48 3HB ALA 48 -2.280 6.404 5.032 307 H LYS 49 H LYS 49 -5.834 6.871 3.156 308 HA LYS 49 HA LYS 49 -6.871 7.479 5.830 309 2HB LYS 49 2HB LYS 49 -7.310 9.816 4.979 310 2HG LYS 49 2HG LYS 49 -4.883 10.527 5.246 311 2HD LYS 49 2HD LYS 49 -5.890 8.416 7.212 312 2HE LYS 49 2HE LYS 49 -3.463 9.101 7.491 313 1HZ LYS 49 1HZ LYS 49 -4.689 11.734 7.947 314 2HZ LYS 49 2HZ LYS 49 -3.129 11.356 8.251 315 3HZ LYS 49 3HZ LYS 49 -3.687 11.349 6.716 316 H ASP 50 H ASP 50 -7.351 5.970 2.924 317 HA ASP 50 HA ASP 50 -10.214 6.420 3.163 318 2HB ASP 50 2HB ASP 50 -10.072 5.859 0.533 319 H LEU 51 H LEU 51 -7.656 4.355 3.528 320 HA LEU 51 HA LEU 51 -8.704 2.057 2.152 321 2HB LEU 51 2HB LEU 51 -6.784 1.103 3.811 322 HG LEU 51 HG LEU 51 -6.289 2.537 1.188 323 1HD1 LEU 51 1HD1 LEU 51 -4.258 0.945 1.161 324 2HD1 LEU 51 2HD1 LEU 51 -4.169 2.427 2.142 325 3HD1 LEU 51 3HD1 LEU 51 -4.489 0.861 2.923 326 1HD2 LEU 51 1HD2 LEU 51 -7.848 0.367 1.533 327 2HD2 LEU 51 2HD2 LEU 51 -6.862 0.656 0.079 328 3HD2 LEU 51 3HD2 LEU 51 -6.262 -0.421 1.362 329 HA PRO 52 HA PRO 52 -9.820 1.078 6.645 330 2HB PRO 52 2HB PRO 52 -8.433 1.910 8.285 331 2HG PRO 52 2HG PRO 52 -7.159 3.720 7.640 332 2HD PRO 52 2HD PRO 52 -7.106 3.392 5.365 333 H LYS 53 H LYS 53 -11.560 1.359 4.856 334 HA LYS 53 HA LYS 53 -13.832 2.281 6.259 335 2HB LYS 53 2HB LYS 53 -12.806 4.462 5.505 336 2HG LYS 53 2HG LYS 53 -12.242 3.313 3.157 337 2HD LYS 53 2HD LYS 53 -15.154 4.053 2.999 338 2HE LYS 53 2HE LYS 53 -14.890 4.370 0.504 339 1HZ LYS 53 1HZ LYS 53 -14.622 6.569 0.770 340 2HZ LYS 53 2HZ LYS 53 -14.749 6.203 2.356 341 3HZ LYS 53 3HZ LYS 53 -13.278 6.447 1.691 342 H LEU 54 H LEU 54 -12.260 1.409 3.146 343 HA LEU 54 HA LEU 54 -14.740 0.238 2.211 344 2HB LEU 54 2HB LEU 54 -12.073 0.121 0.831 345 HG LEU 54 HG LEU 54 -13.319 0.266 -1.212 346 1HD1 LEU 54 1HD1 LEU 54 -14.456 -1.851 -1.226 347 2HD1 LEU 54 2HD1 LEU 54 -13.045 -1.966 -0.147 348 3HD1 LEU 54 3HD1 LEU 54 -14.678 -1.798 0.539 349 1HD2 LEU 54 1HD2 LEU 54 -15.324 1.445 0.397 350 2HD2 LEU 54 2HD2 LEU 54 -15.309 1.228 -1.370 351 3HD2 LEU 54 3HD2 LEU 54 -16.033 -0.020 -0.325 352 H PHE 55 H PHE 55 -14.460 -1.091 4.408 353 HA PHE 55 HA PHE 55 -13.367 -3.648 3.541 354 2HB PHE 55 2HB PHE 55 -12.665 -3.710 6.152 355 HD1 PHE 55 1HD PHE 55 -10.937 -0.791 4.954 356 HD2 PHE 55 2HD PHE 55 -11.085 -5.024 4.701 357 HE1 PHE 55 1HE PHE 55 -8.604 -0.818 4.028 358 HE2 PHE 55 2HE PHE 55 -8.753 -5.051 3.775 359 HZ PHE 55 HZ PHE 55 -7.540 -2.948 3.450 360 HA PRO 56 HA PRO 56 -17.474 -3.810 5.569 361 2HB PRO 56 2HB PRO 56 -18.845 -2.920 3.947 362 2HG PRO 56 2HG PRO 56 -17.817 -2.541 1.918 363 2HD PRO 56 2HD PRO 56 -15.630 -2.345 2.598 364 H ASP 57 H ASP 57 -19.099 -5.730 5.670 365 HA ASP 57 HA ASP 57 -17.362 -7.976 5.965 366 2HB ASP 57 2HB ASP 57 -20.278 -7.408 6.605 367 H SER 58 H SER 58 -18.626 -6.670 3.298 368 HA SER 58 HA SER 58 -19.901 -9.065 2.287 369 2HB SER 58 2HB SER 58 -20.000 -6.178 1.658 370 HG SER 58 HG SER 58 -19.134 -6.663 -0.342 371 H VAL 59 H VAL 59 -16.813 -7.911 2.668 372 HA VAL 59 HA VAL 59 -15.895 -9.414 0.346 373 HB VAL 59 HB VAL 59 -16.015 -6.960 -0.200 374 1HG1 VAL 59 1HG1 VAL 59 -13.563 -6.573 1.492 375 2HG1 VAL 59 2HG1 VAL 59 -14.705 -5.368 0.849 376 3HG1 VAL 59 3HG1 VAL 59 -15.175 -6.394 2.226 377 1HG2 VAL 59 1HG2 VAL 59 -14.614 -8.299 -1.556 378 2HG2 VAL 59 2HG2 VAL 59 -13.617 -6.902 -1.083 379 3HG2 VAL 59 3HG2 VAL 59 -13.394 -8.470 -0.270 380 H LYS 60 H LYS 60 -15.964 -10.674 2.651 381 HA LYS 60 HA LYS 60 -13.253 -10.347 3.736 382 2HB LYS 60 2HB LYS 60 -15.874 -10.769 5.140 383 2HG LYS 60 2HG LYS 60 -13.135 -11.806 5.946 384 2HD LYS 60 2HD LYS 60 -13.625 -10.453 7.841 385 2HE LYS 60 2HE LYS 60 -15.934 -9.778 7.119 386 1HZ LYS 60 1HZ LYS 60 -16.742 -12.000 6.665 387 2HZ LYS 60 2HZ LYS 60 -16.683 -12.385 8.251 388 3HZ LYS 60 3HZ LYS 60 -17.719 -11.235 7.728 389 H GLY 61 H GLY 61 -15.749 -12.874 4.317 390 1HA GLY 61 1HA GLY 61 -14.913 -14.748 2.449 391 2HA GLY 61 2HA GLY 61 -13.896 -14.969 3.858 392 H LEU 62 H LEU 62 -15.773 -16.934 2.933 393 HA LEU 62 HA LEU 62 -17.013 -18.410 4.125 394 2HB LEU 62 2HB LEU 62 -16.466 -16.767 6.146 395 HG LEU 62 HG LEU 62 -18.788 -15.546 5.391 396 1HD1 LEU 62 1HD1 LEU 62 -19.870 -16.964 7.723 397 2HD1 LEU 62 2HD1 LEU 62 -20.661 -16.455 6.212 398 3HD1 LEU 62 3HD1 LEU 62 -19.727 -17.970 6.261 399 1HD2 LEU 62 1HD2 LEU 62 -18.531 -15.525 8.285 400 2HD2 LEU 62 2HD2 LEU 62 -16.951 -15.394 7.477 401 3HD2 LEU 62 3HD2 LEU 62 -18.244 -14.230 7.098 402 H LYS 63 H LYS 63 -17.621 -16.023 2.082 403 HA LYS 63 HA LYS 63 -19.849 -16.950 0.968 404 2HB LYS 63 2HB LYS 63 -20.578 -15.390 3.409 405 2HG LYS 63 2HG LYS 63 -22.862 -15.450 1.723 406 2HD LYS 63 2HD LYS 63 -21.339 -13.564 3.313 407 2HE LYS 63 2HE LYS 63 -20.698 -12.446 1.232 408 1HZ LYS 63 1HZ LYS 63 -23.060 -11.683 0.144 409 2HZ LYS 63 2HZ LYS 63 -22.023 -12.779 -0.482 410 3HZ LYS 63 3HZ LYS 63 -23.277 -13.275 0.440 411 HA PRO 64 HA PRO 64 -19.115 -12.408 -0.116 412 2HB PRO 64 2HB PRO 64 -19.187 -10.887 1.612 413 2HG PRO 64 2HG PRO 64 -18.798 -11.783 3.701 414 2HD PRO 64 2HD PRO 64 -19.404 -13.969 3.326 415 H PHE 65 H PHE 65 -16.872 -14.699 0.626 416 HA PHE 65 HA PHE 65 -14.532 -13.614 -0.357 417 2HB PHE 65 2HB PHE 65 -15.012 -15.869 0.812 418 HD1 PHE 65 1HD PHE 65 -15.013 -16.517 -2.864 419 HD2 PHE 65 2HD PHE 65 -16.794 -17.341 0.899 420 HE1 PHE 65 1HE PHE 65 -16.473 -18.255 -3.935 421 HE2 PHE 65 2HE PHE 65 -18.253 -19.079 -0.172 422 HZ PHE 65 HZ PHE 65 -18.075 -19.516 -2.576 423 H ASP 66 H ASP 66 -13.516 -13.595 -2.417 424 HA ASP 66 HA ASP 66 -15.375 -14.098 -4.608 425 2HB ASP 66 2HB ASP 66 -14.036 -12.271 -5.821 426 H SER 67 H SER 67 -12.928 -15.484 -3.066 427 HA SER 67 HA SER 67 -11.120 -16.620 -3.519 428 2HB SER 67 2HB SER 67 -11.233 -18.001 -5.662 429 HG SER 67 HG SER 67 -13.826 -17.972 -4.434 430 H LYS 68 H LYS 68 -10.346 -14.088 -3.729 431 HA LYS 68 HA LYS 68 -8.326 -14.156 -5.711 432 2HB LYS 68 2HB LYS 68 -9.574 -11.708 -6.383 433 2HG LYS 68 2HG LYS 68 -9.733 -12.823 -8.636 434 2HD LYS 68 2HD LYS 68 -7.373 -12.378 -7.059 435 2HE LYS 68 2HE LYS 68 -7.126 -14.733 -8.991 436 1HZ LYS 68 1HZ LYS 68 -5.220 -13.276 -8.872 437 2HZ LYS 68 2HZ LYS 68 -5.167 -13.409 -7.245 438 3HZ LYS 68 3HZ LYS 68 -4.878 -14.715 -8.180 439 H TYR 69 H TYR 69 -10.335 -11.973 -3.619 440 HA TYR 69 HA TYR 69 -8.437 -10.119 -2.997 441 2HB TYR 69 2HB TYR 69 -10.931 -10.353 -2.332 442 HD1 TYR 69 1HD TYR 69 -11.686 -12.754 -2.322 443 HD2 TYR 69 2HD TYR 69 -9.592 -11.010 0.976 444 HE1 TYR 69 1HE TYR 69 -12.474 -14.644 -0.813 445 HE2 TYR 69 2HE TYR 69 -10.386 -12.905 2.474 446 HH TYR 69 HH TYR 69 -11.447 -14.782 2.586 447 H SER 70 H SER 70 -7.305 -9.811 -0.811 448 HA SER 70 HA SER 70 -6.421 -12.311 0.320 449 2HB SER 70 2HB SER 70 -4.532 -12.278 -0.957 450 HG SER 70 HG SER 70 -3.797 -10.393 -2.099 451 H SER 71 H SER 71 -7.936 -11.184 1.947 452 HA SER 71 HA SER 71 -6.261 -9.559 3.653 453 2HB SER 71 2HB SER 71 -7.613 -7.917 2.431 454 HG SER 71 HG SER 71 -9.634 -9.796 2.886 455 H SER 72 H SER 72 -6.110 -10.914 5.417 456 HA SER 72 HA SER 72 -7.827 -12.913 6.027 457 2HB SER 72 2HB SER 72 -6.461 -11.395 8.254 458 HG SER 72 HG SER 72 -6.397 -14.199 7.545 459 HA PRO 73 HA PRO 73 -11.279 -10.977 7.839 460 2HB PRO 73 2HB PRO 73 -12.558 -12.880 7.631 461 2HG PRO 73 2HG PRO 73 -11.349 -14.838 7.470 462 2HD PRO 73 2HD PRO 73 -9.357 -14.023 6.661 463 H LYS 74 H LYS 74 -8.542 -11.555 9.477 464 HA LYS 74 HA LYS 74 -9.572 -10.955 12.093 465 2HB LYS 74 2HB LYS 74 -6.766 -11.278 10.996 466 2HG LYS 74 2HG LYS 74 -6.756 -11.628 13.782 467 2HD LYS 74 2HD LYS 74 -6.005 -8.916 12.812 468 2HE LYS 74 2HE LYS 74 -4.318 -11.216 13.905 469 1HZ LYS 74 1HZ LYS 74 -3.139 -9.120 14.718 470 2HZ LYS 74 2HZ LYS 74 -2.922 -9.578 13.165 471 3HZ LYS 74 3HZ LYS 74 -3.940 -8.351 13.520 472 H ILE 75 H ILE 75 -9.267 -9.166 9.315 473 HA ILE 75 HA ILE 75 -8.062 -6.830 10.467 474 HB ILE 75 HB ILE 75 -9.417 -7.422 7.842 475 2HG1 ILE 75 2HG1 ILE 75 -7.034 -8.271 8.534 476 1HG2 ILE 75 1HG2 ILE 75 -9.916 -5.117 8.373 477 2HG2 ILE 75 2HG2 ILE 75 -8.213 -4.807 8.787 478 3HG2 ILE 75 3HG2 ILE 75 -8.666 -5.183 7.108 479 1HD1 ILE 75 1HD1 ILE 75 -6.807 -6.800 5.970 480 2HD1 ILE 75 2HD1 ILE 75 -6.701 -8.547 6.291 481 3HD1 ILE 75 3HD1 ILE 75 -8.292 -7.769 6.121 482 H TRP 76 H TRP 76 -11.219 -8.323 10.342 483 HA TRP 76 HA TRP 76 -12.630 -5.850 10.780 484 2HB TRP 76 2HB TRP 76 -14.537 -7.530 11.206 485 HD1 TRP 76 HD TRP 76 -15.771 -6.098 9.345 486 HE1 TRP 76 1HE TRP 76 -15.784 -5.952 6.710 487 HE3 TRP 76 3HE TRP 76 -11.678 -9.031 8.641 488 HZ2 TRP 76 2HZ TRP 76 -14.118 -7.056 4.673 489 HZ3 TRP 76 3HZ TRP 76 -10.937 -9.447 6.297 490 HH2 TRP 76 HH TRP 76 -12.084 -8.513 4.352 491 H ALA 77 H ALA 77 -11.074 -8.470 12.594 492 HA ALA 77 HA ALA 77 -12.380 -7.738 15.063 493 1HB ALA 77 1HB ALA 77 -11.359 -9.653 15.934 494 2HB ALA 77 2HB ALA 77 -11.574 -10.093 14.223 495 3HB ALA 77 3HB ALA 77 -9.982 -9.555 14.812 496 H GLU 78 H GLU 78 -9.070 -7.576 13.588 497 HA GLU 78 HA GLU 78 -8.149 -6.040 15.809 498 2HB GLU 78 2HB GLU 78 -6.131 -5.834 14.001 499 2HG GLU 78 2HG GLU 78 -5.335 -8.089 14.889 500 H ARG 79 H ARG 79 -10.360 -5.162 13.736 501 HA ARG 79 HA ARG 79 -9.686 -3.264 12.081 502 2HB ARG 79 2HB ARG 79 -11.748 -1.934 13.057 503 2HG ARG 79 2HG ARG 79 -13.278 -3.987 12.447 504 2HD ARG 79 2HD ARG 79 -13.160 -2.596 10.613 505 HE ARG 79 HE ARG 79 -10.207 -2.499 10.401 506 1HH1 ARG 79 2HH2 ARG 79 -13.150 -0.975 11.585 507 2HH1 ARG 79 1HH2 ARG 79 -12.414 0.580 11.790 508 1HH2 ARG 79 2HH1 ARG 79 -9.236 -0.449 10.672 509 2HH2 ARG 79 1HH1 ARG 79 -10.173 0.881 11.267 510 H ALA 80 H ALA 80 -9.564 -2.994 15.666 511 HA ALA 80 HA ALA 80 -9.007 -0.235 15.744 512 1HB ALA 80 1HB ALA 80 -8.445 -0.678 18.072 513 2HB ALA 80 2HB ALA 80 -9.880 -1.632 17.630 514 3HB ALA 80 3HB ALA 80 -8.286 -2.418 17.740 515 H LYS 81 H LYS 81 -6.796 -3.060 16.367 516 HA LYS 81 HA LYS 81 -4.473 -1.548 16.239 517 2HB LYS 81 2HB LYS 81 -4.834 -4.498 15.639 518 2HG LYS 81 2HG LYS 81 -2.488 -4.473 16.773 519 2HD LYS 81 2HD LYS 81 -2.066 -3.071 14.213 520 2HE LYS 81 2HE LYS 81 -0.549 -4.796 15.340 521 1HZ LYS 81 1HZ LYS 81 -1.383 -7.096 14.510 522 2HZ LYS 81 2HZ LYS 81 -1.835 -6.525 15.972 523 3HZ LYS 81 3HZ LYS 81 -2.858 -6.424 14.704 524 H PHE 82 H PHE 82 -6.543 -2.933 13.713 525 HA PHE 82 HA PHE 82 -4.720 -2.935 11.626 526 2HB PHE 82 2HB PHE 82 -7.684 -2.139 11.527 527 HD1 PHE 82 1HD PHE 82 -5.283 -4.620 10.078 528 HD2 PHE 82 2HD PHE 82 -8.362 -1.787 9.364 529 HE1 PHE 82 1HE PHE 82 -5.162 -5.108 7.619 530 HE2 PHE 82 2HE PHE 82 -8.241 -2.276 6.905 531 HZ PHE 82 HZ PHE 82 -6.643 -3.931 6.062 532 H ASP 83 H ASP 83 -6.939 -0.331 12.817 533 HA ASP 83 HA ASP 83 -6.258 1.461 10.806 534 2HB ASP 83 2HB ASP 83 -7.021 2.364 13.592 535 H THR 84 H THR 84 -5.343 1.345 14.342 536 HA THR 84 HA THR 84 -3.505 3.364 14.384 537 HB THR 84 HB THR 84 -3.329 0.684 15.855 538 HG1 THR 84 1HG THR 84 -5.373 1.416 16.373 539 1HG2 THR 84 1HG2 THR 84 -2.765 2.428 17.746 540 2HG2 THR 84 2HG2 THR 84 -1.480 2.007 16.589 541 3HG2 THR 84 3HG2 THR 84 -2.385 3.528 16.399 542 H GLU 85 H GLU 85 -3.269 0.305 12.713 543 HA GLU 85 HA GLU 85 -0.428 0.372 12.619 544 2HB GLU 85 2HB GLU 85 -1.490 -1.287 10.537 545 2HG GLU 85 2HG GLU 85 -0.730 -3.116 12.066 546 H ILE 86 H ILE 86 -3.151 1.047 10.322 547 HA ILE 86 HA ILE 86 -1.304 1.976 8.323 548 HB ILE 86 HB ILE 86 -3.016 1.807 6.896 549 2HG1 ILE 86 2HG1 ILE 86 -4.495 3.328 8.959 550 1HG2 ILE 86 1HG2 ILE 86 -4.137 -0.118 7.287 551 2HG2 ILE 86 2HG2 ILE 86 -3.049 -0.186 8.695 552 3HG2 ILE 86 3HG2 ILE 86 -4.716 0.406 8.886 553 1HD1 ILE 86 1HD1 ILE 86 -3.957 3.363 6.000 554 2HD1 ILE 86 2HD1 ILE 86 -5.449 4.141 6.581 555 3HD1 ILE 86 3HD1 ILE 86 -3.866 4.688 7.185 556 H ALA 87 H ALA 87 -2.527 3.221 11.211 557 HA ALA 87 HA ALA 87 -3.055 5.883 10.346 558 1HB ALA 87 1HB ALA 87 -3.510 6.285 12.595 559 2HB ALA 87 2HB ALA 87 -3.814 4.535 12.483 560 3HB ALA 87 3HB ALA 87 -2.279 5.132 13.160 561 H ASP 88 H ASP 88 -0.316 4.274 12.116 562 HA ASP 88 HA ASP 88 1.260 6.541 12.177 563 2HB ASP 88 2HB ASP 88 1.982 3.576 12.161 564 H PHE 89 H PHE 89 0.749 3.938 9.762 565 HA PHE 89 HA PHE 89 2.947 4.225 8.172 566 2HB PHE 89 2HB PHE 89 -0.035 3.777 7.576 567 HD1 PHE 89 1HD PHE 89 -0.529 4.393 5.389 568 HD2 PHE 89 2HD PHE 89 3.114 2.365 6.177 569 HE1 PHE 89 1HE PHE 89 -0.102 4.204 2.923 570 HE2 PHE 89 2HE PHE 89 3.542 2.176 3.711 571 HZ PHE 89 HZ PHE 89 1.929 3.097 2.113 572 H ALA 90 H ALA 90 0.075 6.336 8.451 573 HA ALA 90 HA ALA 90 0.771 7.841 6.106 574 1HB ALA 90 1HB ALA 90 -1.220 9.025 6.540 575 2HB ALA 90 2HB ALA 90 -1.572 7.386 7.137 576 3HB ALA 90 3HB ALA 90 -1.156 8.681 8.286 577 H LYS 91 H LYS 91 1.570 7.798 9.529 578 HA LYS 91 HA LYS 91 2.401 10.549 9.571 579 2HB LYS 91 2HB LYS 91 3.312 9.818 11.849 580 2HG LYS 91 2HG LYS 91 0.888 9.455 12.726 581 2HD LYS 91 2HD LYS 91 0.195 11.805 11.978 582 2HE LYS 91 2HE LYS 91 3.073 11.475 12.956 583 1HZ LYS 91 1HZ LYS 91 2.982 13.664 12.982 584 2HZ LYS 91 2HZ LYS 91 1.409 13.712 12.546 585 3HZ LYS 91 3HZ LYS 91 1.816 13.582 14.122 586 H ALA 92 H ALA 92 3.796 7.339 8.947 587 HA ALA 92 HA ALA 92 6.487 8.067 9.256 588 1HB ALA 92 1HB ALA 92 6.907 5.998 7.987 589 2HB ALA 92 2HB ALA 92 5.637 5.742 9.207 590 3HB ALA 92 3HB ALA 92 5.198 5.943 7.493 591 H VAL 93 H VAL 93 4.160 8.259 6.520 592 HA VAL 93 HA VAL 93 6.129 9.036 4.634 593 HB VAL 93 HB VAL 93 4.076 7.947 3.983 594 1HG1 VAL 93 1HG1 VAL 93 2.708 10.376 5.175 595 2HG1 VAL 93 2HG1 VAL 93 1.902 9.223 4.085 596 3HG1 VAL 93 3HG1 VAL 93 2.528 8.672 5.657 597 1HG2 VAL 93 1HG2 VAL 93 3.212 10.065 2.478 598 2HG2 VAL 93 2HG2 VAL 93 4.846 10.598 2.939 599 3HG2 VAL 93 3HG2 VAL 93 4.621 9.049 2.092 600 H ASP 94 H ASP 94 3.769 10.771 6.744 601 HA ASP 94 HA ASP 94 4.041 13.262 5.773 602 2HB ASP 94 2HB ASP 94 4.119 13.551 8.604 603 H GLY 95 H GLY 95 6.210 11.419 7.994 604 1HA GLY 95 1HA GLY 95 8.001 13.637 8.427 605 2HA GLY 95 2HA GLY 95 8.192 11.978 8.962 606 H ALA 96 H ALA 96 7.759 10.769 6.277 607 HA ALA 96 HA ALA 96 10.416 10.773 5.406 608 1HB ALA 96 1HB ALA 96 9.673 8.973 4.275 609 2HB ALA 96 2HB ALA 96 8.075 9.287 4.992 610 3HB ALA 96 3HB ALA 96 8.474 9.943 3.387 611 H LYS 97 H LYS 97 7.576 12.743 4.572 612 HA LYS 97 HA LYS 97 8.332 13.690 2.110 613 2HB LYS 97 2HB LYS 97 7.130 15.863 3.239 614 2HG LYS 97 2HG LYS 97 4.945 14.572 2.631 615 2HD LYS 97 2HD LYS 97 6.781 15.909 1.075 616 2HE LYS 97 2HE LYS 97 6.476 14.047 -0.988 617 1HZ LYS 97 1HZ LYS 97 8.548 14.741 -1.092 618 2HZ LYS 97 2HZ LYS 97 8.544 15.250 0.460 619 3HZ LYS 97 3HZ LYS 97 8.969 13.714 0.106 620 H GLY 98 H GLY 98 9.181 15.011 5.383 621 1HA GLY 98 1HA GLY 98 10.984 16.945 4.243 622 2HA GLY 98 2HA GLY 98 10.697 16.611 5.940 623 H LYS 99 H LYS 99 11.188 13.727 5.861 624 HA LYS 99 HA LYS 99 13.953 13.749 6.246 625 2HB LYS 99 2HB LYS 99 13.226 11.086 5.899 626 2HG LYS 99 2HG LYS 99 14.126 12.767 7.933 627 2HD LYS 99 2HD LYS 99 12.240 11.534 9.636 628 2HE LYS 99 2HE LYS 99 13.224 13.690 10.150 629 1HZ LYS 99 1HZ LYS 99 12.195 14.362 7.540 630 2HZ LYS 99 2HZ LYS 99 12.149 15.548 8.662 631 3HZ LYS 99 3HZ LYS 99 13.572 14.846 8.274 632 H ILE 100 H ILE 100 12.053 11.999 3.682 633 HA ILE 100 HA ILE 100 14.053 11.123 2.143 634 HB ILE 100 HB ILE 100 11.468 11.068 1.885 635 2HG1 ILE 100 2HG1 ILE 100 13.669 10.402 0.197 636 1HG2 ILE 100 1HG2 ILE 100 11.081 13.408 1.460 637 2HG2 ILE 100 2HG2 ILE 100 12.192 13.383 0.070 638 3HG2 ILE 100 3HG2 ILE 100 10.663 12.473 0.005 639 1HD1 ILE 100 1HD1 ILE 100 12.548 8.486 0.685 640 2HD1 ILE 100 2HD1 ILE 100 11.044 9.370 1.043 641 3HD1 ILE 100 3HD1 ILE 100 11.442 8.933 -0.636 642 H LYS 101 H LYS 101 15.357 11.890 0.401 643 HA LYS 101 HA LYS 101 15.297 14.559 -0.455 644 2HB LYS 101 2HB LYS 101 16.105 15.321 1.597 645 2HG LYS 101 2HG LYS 101 17.310 12.639 1.741 646 2HD LYS 101 2HD LYS 101 18.937 14.955 2.876 647 2HE LYS 101 2HE LYS 101 19.009 11.975 3.038 648 1HZ LYS 101 1HZ LYS 101 21.032 11.811 2.219 649 2HZ LYS 101 2HZ LYS 101 21.162 13.417 1.956 650 3HZ LYS 101 3HZ LYS 101 21.589 12.790 3.401 651 H ASP 102 H ASP 102 17.182 11.562 0.161 652 HA ASP 102 HA ASP 102 18.096 11.798 -2.593 653 2HB ASP 102 2HB ASP 102 19.815 10.397 -0.551 654 H VAL 103 H VAL 103 19.522 9.233 -2.509 655 HA VAL 103 HA VAL 103 17.217 7.473 -2.479 656 HB VAL 103 HB VAL 103 20.063 7.000 -3.383 657 1HG1 VAL 103 1HG1 VAL 103 19.013 4.898 -3.012 658 2HG1 VAL 103 2HG1 VAL 103 17.491 5.444 -3.758 659 3HG1 VAL 103 3HG1 VAL 103 18.937 5.193 -4.766 660 1HG2 VAL 103 1HG2 VAL 103 17.784 8.395 -4.655 661 2HG2 VAL 103 2HG2 VAL 103 19.532 8.520 -4.969 662 3HG2 VAL 103 3HG2 VAL 103 18.595 7.180 -5.674 663 H ASP 104 H ASP 104 20.513 7.761 -1.009 664 HA ASP 104 HA ASP 104 20.508 5.460 0.412 665 2HB ASP 104 2HB ASP 104 21.480 8.002 1.726 666 H THR 105 H THR 105 18.724 8.496 0.923 667 HA THR 105 HA THR 105 17.993 7.864 3.641 668 HB THR 105 HB THR 105 18.322 10.192 2.277 669 HG1 THR 105 1HG THR 105 16.612 10.889 4.019 670 1HG2 THR 105 1HG2 THR 105 15.333 9.529 2.166 671 2HG2 THR 105 2HG2 THR 105 16.002 11.169 1.996 672 3HG2 THR 105 3HG2 THR 105 16.374 9.925 0.778 673 H LEU 106 H LEU 106 16.596 7.551 0.366 674 HA LEU 106 HA LEU 106 13.985 7.100 0.987 675 2HB LEU 106 2HB LEU 106 14.278 5.362 -1.006 676 HG LEU 106 HG LEU 106 14.329 8.349 -1.062 677 1HD1 LEU 106 1HD1 LEU 106 15.482 8.464 -2.961 678 2HD1 LEU 106 2HD1 LEU 106 15.495 6.694 -3.150 679 3HD1 LEU 106 3HD1 LEU 106 14.111 7.644 -3.743 680 1HD2 LEU 106 1HD2 LEU 106 12.226 7.103 -0.752 681 2HD2 LEU 106 2HD2 LEU 106 12.232 8.069 -2.247 682 3HD2 LEU 106 3HD2 LEU 106 12.480 6.308 -2.324 683 H LYS 107 H LYS 107 16.754 4.790 1.179 684 HA LYS 107 HA LYS 107 15.137 2.616 1.973 685 2HB LYS 107 2HB LYS 107 17.249 1.510 2.447 686 2HG LYS 107 2HG LYS 107 18.461 2.105 0.234 687 2HD LYS 107 2HD LYS 107 16.384 1.380 -1.157 688 2HE LYS 107 2HE LYS 107 17.418 -0.187 1.243 689 1HZ LYS 107 1HZ LYS 107 15.694 -1.095 -0.956 690 2HZ LYS 107 2HZ LYS 107 16.451 -2.082 0.102 691 3HZ LYS 107 3HZ LYS 107 15.293 -1.055 0.626 692 H ALA 108 H ALA 108 16.523 5.409 3.615 693 HA ALA 108 HA ALA 108 16.338 4.246 6.225 694 1HB ALA 108 1HB ALA 108 16.392 7.195 5.934 695 2HB ALA 108 2HB ALA 108 17.464 6.116 6.857 696 3HB ALA 108 3HB ALA 108 17.715 6.338 5.109 697 H ALA 109 H ALA 109 14.374 6.439 4.143 698 HA ALA 109 HA ALA 109 12.406 6.801 6.196 699 1HB ALA 109 1HB ALA 109 11.573 7.445 3.474 700 2HB ALA 109 2HB ALA 109 11.802 8.520 4.874 701 3HB ALA 109 3HB ALA 109 13.186 8.104 3.836 702 H MET 110 H MET 110 13.190 4.390 3.823 703 HA MET 110 HA MET 110 10.478 3.497 3.579 704 2HB MET 110 2HB MET 110 11.858 1.527 2.389 705 2HG MET 110 2HG MET 110 12.425 3.477 0.524 706 1HE MET 110 1HE MET 110 11.293 0.412 -0.410 707 2HE MET 110 2HE MET 110 10.769 1.510 -1.709 708 3HE MET 110 3HE MET 110 12.256 1.859 -0.793 709 H GLN 111 H GLN 111 12.523 3.425 6.112 710 HA GLN 111 HA GLN 111 12.475 0.644 6.698 711 2HB GLN 111 2HB GLN 111 13.659 3.086 7.824 712 2HG GLN 111 2HG GLN 111 12.139 2.614 9.718 713 1HE2 GLN 111 1HE2 GLN 111 10.868 1.236 10.700 714 2HE2 GLN 111 2HE2 GLN 111 11.032 -0.487 10.749 715 HA PRO 112 HA PRO 112 9.108 2.133 9.686 716 2HB PRO 112 2HB PRO 112 9.434 4.182 10.685 717 2HG PRO 112 2HG PRO 112 10.850 5.599 9.542 718 2HD PRO 112 2HD PRO 112 12.083 4.067 8.351 719 H ILE 113 H ILE 113 8.532 4.234 6.895 720 HA ILE 113 HA ILE 113 5.871 3.603 6.622 721 HB ILE 113 HB ILE 113 7.046 5.446 5.512 722 2HG1 ILE 113 2HG1 ILE 113 5.380 3.539 3.877 723 1HG2 ILE 113 1HG2 ILE 113 7.995 3.664 3.318 724 2HG2 ILE 113 2HG2 ILE 113 8.623 5.230 3.884 725 3HG2 ILE 113 3HG2 ILE 113 8.966 3.748 4.807 726 1HD1 ILE 113 1HD1 ILE 113 3.646 5.164 4.274 727 2HD1 ILE 113 2HD1 ILE 113 4.443 4.893 5.842 728 3HD1 ILE 113 3HD1 ILE 113 4.814 6.354 4.895 729 H GLY 114 H GLY 114 8.787 1.800 5.640 730 1HA GLY 114 1HA GLY 114 7.381 -0.072 3.991 731 2HA GLY 114 2HA GLY 114 9.032 -0.179 4.569 732 H LYS 115 H LYS 115 7.531 0.453 7.389 733 HA LYS 115 HA LYS 115 7.617 -2.253 8.224 734 2HB LYS 115 2HB LYS 115 6.507 0.137 9.720 735 2HG LYS 115 2HG LYS 115 6.203 -2.256 10.633 736 2HD LYS 115 2HD LYS 115 8.799 -2.512 11.786 737 2HE LYS 115 2HE LYS 115 8.035 -4.257 9.471 738 1HZ LYS 115 1HZ LYS 115 9.732 -4.752 11.172 739 2HZ LYS 115 2HZ LYS 115 8.554 -4.859 12.297 740 3HZ LYS 115 3HZ LYS 115 8.583 -5.905 11.043 741 H ALA 116 H ALA 116 4.903 0.162 8.018 742 HA ALA 116 HA ALA 116 2.923 -1.768 8.519 743 1HB ALA 116 1HB ALA 116 2.340 0.702 6.921 744 2HB ALA 116 2HB ALA 116 1.472 0.014 8.314 745 3HB ALA 116 3HB ALA 116 2.992 0.907 8.564 746 H CYS 117 H CYS 117 5.009 -1.375 5.874 747 HA CYS 117 HA CYS 117 3.164 -1.960 3.801 748 2HB CYS 117 2HB CYS 117 5.666 -2.738 2.897 749 H GLY 118 H GLY 118 5.894 -3.864 5.300 750 1HA GLY 118 1HA GLY 118 4.773 -6.347 4.332 751 2HA GLY 118 2HA GLY 118 6.249 -6.118 5.248 752 H ASN 119 H ASN 119 4.820 -4.412 7.326 753 HA ASN 119 HA ASN 119 4.232 -6.494 9.065 754 2HB ASN 119 2HB ASN 119 3.493 -3.525 9.252 755 1HD2 ASN 119 1HD2 ASN 119 1.811 -3.514 10.581 756 2HD2 ASN 119 2HD2 ASN 119 1.729 -4.273 12.135 757 H CYS 120 H CYS 120 2.181 -3.997 7.385 758 HA CYS 120 HA CYS 120 -0.248 -4.954 8.392 759 2HB CYS 120 2HB CYS 120 0.154 -3.434 5.813 760 H HIS 121 H HIS 121 2.018 -6.248 6.166 761 HA HIS 121 HA HIS 121 0.051 -7.570 4.529 762 2HB HIS 121 2HB HIS 121 2.206 -8.676 3.615 763 HD1 HIS 121 1HD HIS 121 3.997 -6.478 2.328 764 HD2 HIS 121 2HD HIS 121 -0.148 -6.144 2.875 765 HE1 HIS 121 1HE HIS 121 3.188 -4.761 0.624 766 H GLU 122 H GLU 122 2.883 -8.792 6.461 767 HA GLU 122 HA GLU 122 1.959 -11.357 6.614 768 2HB GLU 122 2HB GLU 122 4.254 -10.813 7.164 769 2HG GLU 122 2HG GLU 122 3.047 -8.718 8.719 770 H ASN 123 H ASN 123 0.964 -8.476 8.381 771 HA ASN 123 HA ASN 123 -0.220 -9.951 10.504 772 2HB ASN 123 2HB ASN 123 -1.252 -7.651 11.037 773 1HD2 ASN 123 1HD2 ASN 123 -0.044 -6.151 12.259 774 2HD2 ASN 123 2HD2 ASN 123 1.598 -6.454 12.718 775 H PHE 124 H PHE 124 -1.273 -8.114 7.554 776 HA PHE 124 HA PHE 124 -3.757 -9.650 7.601 777 2HB PHE 124 2HB PHE 124 -5.032 -7.615 7.287 778 HD1 PHE 124 1HD PHE 124 -5.377 -8.168 9.692 779 HD2 PHE 124 2HD PHE 124 -2.246 -5.606 8.414 780 HE1 PHE 124 1HE PHE 124 -5.133 -7.299 12.034 781 HE2 PHE 124 2HE PHE 124 -2.001 -4.736 10.756 782 HZ PHE 124 HZ PHE 124 -3.448 -5.593 12.538 783 H ARG 125 H ARG 125 -2.210 -10.806 5.996 784 HA ARG 125 HA ARG 125 -3.118 -10.311 3.469 785 2HB ARG 125 2HB ARG 125 -0.236 -9.350 3.842 786 2HG ARG 125 2HG ARG 125 -1.399 -8.510 1.371 787 2HD ARG 125 2HD ARG 125 0.378 -10.760 1.001 788 HE ARG 125 HE ARG 125 0.209 -8.194 0.033 789 1HH1 ARG 125 2HH2 ARG 125 2.807 -9.972 1.606 790 2HH1 ARG 125 1HH2 ARG 125 4.066 -9.103 0.796 791 1HH2 ARG 125 2HH1 ARG 125 1.871 -7.046 -1.038 792 2HH2 ARG 125 1HH1 ARG 125 3.530 -7.427 -0.719 793 H ASP 126 H ASP 126 -3.333 -12.628 3.699 794 HA ASP 126 HA ASP 126 -0.922 -14.124 4.110 795 2HB ASP 126 2HB ASP 126 -2.493 -16.101 3.928 796 H LYS 127 H LYS 127 0.074 -13.294 2.017 797 HA LYS 127 HA LYS 127 -1.117 -13.712 -0.466 798 2HB LYS 127 2HB LYS 127 1.819 -13.886 -0.392 799 2HG LYS 127 2HG LYS 127 0.631 -11.439 -1.438 800 2HD LYS 127 2HD LYS 127 2.053 -13.864 -2.606 801 2HE LYS 127 2HE LYS 127 0.430 -11.877 -4.004 802 1HZ LYS 127 1HZ LYS 127 3.127 -12.072 -5.066 803 2HZ LYS 127 2HZ LYS 127 1.984 -10.938 -5.345 804 3HZ LYS 127 3HZ LYS 127 2.814 -10.931 -3.939 805 H GLU 128 H GLU 128 -1.405 -15.480 -1.740 806 HA GLU 128 HA GLU 128 0.203 -17.809 -1.138 807 2HB GLU 128 2HB GLU 128 -1.965 -19.215 -1.344 808 2HG GLU 128 2HG GLU 128 -2.633 -18.371 1.134 809 H GLY 129 H GLY 129 1.289 -17.571 -3.133 810 1HA GLY 129 1HA GLY 129 -0.063 -18.609 -5.416 811 2HA GLY 129 2HA GLY 129 0.188 -16.881 -5.565 812 1HMA HEM 130 1HMA HEM 130 2.024 -6.096 -3.638 813 2HMA HEM 130 2HMA HEM 130 0.556 -6.753 -4.397 814 3HMA HEM 130 3HMA HEM 130 0.885 -5.006 -4.462 815 1HMB HEM 130 1HMB HEM 130 4.435 -3.374 -1.662 816 2HMB HEM 130 2HMB HEM 130 4.105 -1.805 -2.435 817 3HMB HEM 130 3HMB HEM 130 5.171 -1.890 -1.012 818 1HMC HEM 130 1HMC HEM 130 -0.170 0.871 5.705 819 2HMC HEM 130 2HMC HEM 130 1.433 0.314 5.164 820 3HMC HEM 130 3HMC HEM 130 0.439 1.335 4.098 821 1HMD HEM 130 1HMD HEM 130 -5.865 -5.777 3.881 822 2HMD HEM 130 2HMD HEM 130 -4.540 -6.224 4.982 823 3HMD HEM 130 3HMD HEM 130 -4.976 -4.512 4.766
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