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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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7139 |
1k0t ![]() ![]() |
cing | 1-original | 21 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H SER 1 HN SER 1 -3.556 -3.360 12.978 2 HA SER 1 HA SER 1 -3.984 -3.914 10.196 3 1HB SER 1 2HB SER 1 -4.123 -1.450 10.256 4 2HB SER 1 3HB SER 1 -2.608 -1.357 11.133 5 HG SER 1 HG SER 1 -2.681 -2.716 8.608 6 H HIS 2 HN HIS 2 -2.298 -5.179 9.399 7 HA HIS 2 HA HIS 2 0.247 -5.067 10.776 8 1HB HIS 2 2HB HIS 2 0.165 -7.678 10.774 9 2HB HIS 2 3HB HIS 2 -0.529 -6.766 12.100 10 HD1 HIS 2 HD1 HIS 2 -3.237 -6.445 12.000 11 HD2 HIS 2 HD2 HIS 2 -1.591 -9.367 9.479 12 HE1 HIS 2 HE1 HIS 2 -5.171 -7.954 11.297 13 H SER 3 HN SER 3 2.007 -5.746 9.459 14 HA SER 3 HA SER 3 3.080 -5.988 7.588 15 1HB SER 3 2HB SER 3 2.553 -8.208 7.270 16 2HB SER 3 3HB SER 3 0.825 -7.921 7.314 17 HG SER 3 HG SER 3 0.896 -8.096 5.187 18 H VAL 4 HN VAL 4 3.059 -5.522 5.118 19 HA VAL 4 HA VAL 4 0.816 -4.244 3.994 20 HB VAL 4 HB VAL 4 1.307 -2.513 5.607 21 1HG1 VAL 4 1HG1 VAL 4 3.447 -1.311 5.629 22 2HG1 VAL 4 2HG1 VAL 4 3.673 -3.032 6.020 23 3HG1 VAL 4 3HG1 VAL 4 4.094 -2.424 4.401 24 1HG2 VAL 4 1HG2 VAL 4 2.373 -1.433 3.003 25 2HG2 VAL 4 2HG2 VAL 4 0.702 -2.032 3.124 26 3HG2 VAL 4 3HG2 VAL 4 1.242 -0.688 4.158 27 H LYS 5 HN LYS 5 2.719 -6.350 3.388 28 HA LYS 5 HA LYS 5 4.806 -5.536 1.773 29 1HB LYS 5 2HB LYS 5 3.221 -8.004 2.185 30 2HB LYS 5 3HB LYS 5 4.036 -7.890 0.639 31 1HG LYS 5 2HG LYS 5 5.632 -7.113 3.065 32 2HG LYS 5 3HG LYS 5 5.260 -8.816 2.880 33 1HD LYS 5 2HD LYS 5 6.499 -7.134 0.654 34 2HD LYS 5 3HD LYS 5 7.454 -8.045 1.807 35 1HE LYS 5 2HE LYS 5 6.324 -10.154 1.096 36 2HE LYS 5 3HE LYS 5 5.334 -9.253 -0.034 37 1HZ LYS 5 1HZ LYS 5 8.192 -8.892 -0.239 38 2HZ LYS 5 2HZ LYS 5 7.601 -10.337 -0.718 39 3HZ LYS 5 3HZ LYS 5 7.065 -8.962 -1.418 40 H ILE 6 HN ILE 6 4.577 -6.463 -0.778 41 HA ILE 6 HA ILE 6 2.895 -4.429 -1.932 42 HB ILE 6 HB ILE 6 4.915 -6.359 -3.066 43 1HG1 ILE 6 2HG1 ILE 6 5.773 -3.797 -3.566 44 2HG1 ILE 6 3HG1 ILE 6 5.001 -3.611 -2.004 45 1HG2 ILE 6 1HG2 ILE 6 4.671 -4.814 -5.125 46 2HG2 ILE 6 2HG2 ILE 6 3.474 -6.106 -4.870 47 3HG2 ILE 6 3HG2 ILE 6 3.072 -4.424 -4.448 48 1HD1 ILE 6 1HD1 ILE 6 6.691 -4.697 -0.953 49 2HD1 ILE 6 2HD1 ILE 6 6.581 -6.073 -2.077 50 3HD1 ILE 6 3HD1 ILE 6 7.574 -4.657 -2.498 51 H TYR 7 HN TYR 7 0.740 -4.915 -1.925 52 HA TYR 7 HA TYR 7 0.024 -7.472 -3.187 53 1HB TYR 7 2HB TYR 7 -1.267 -5.935 -0.846 54 2HB TYR 7 3HB TYR 7 -1.933 -7.400 -1.537 55 HD1 TYR 7 HD1 TYR 7 0.736 -8.888 -1.890 56 HD2 TYR 7 HD2 TYR 7 -0.932 -6.700 1.386 57 HE1 TYR 7 HE1 TYR 7 2.104 -10.276 -0.258 58 HE2 TYR 7 HE2 TYR 7 0.443 -8.095 3.008 59 HH TYR 7 HH TYR 7 2.795 -10.445 1.817 60 H ASP 8 HN ASP 8 -2.011 -7.452 -4.371 61 HA ASP 8 HA ASP 8 -2.444 -4.864 -5.522 62 1HB ASP 8 2HB ASP 8 -4.048 -6.227 -7.014 63 2HB ASP 8 3HB ASP 8 -2.345 -6.624 -7.122 64 H THR 9 HN THR 9 -3.272 -4.965 -2.804 65 HA THR 9 HA THR 9 -6.172 -5.378 -2.903 66 HB THR 9 HB THR 9 -4.804 -6.488 -1.101 67 HG1 THR 9 1HG THR 9 -6.080 -4.850 0.575 68 1HG2 THR 9 1HG2 THR 9 -3.621 -5.249 0.531 69 2HG2 THR 9 2HG2 THR 9 -3.205 -4.360 -0.954 70 3HG2 THR 9 3HG2 THR 9 -4.469 -3.736 0.133 71 H CYS 10 HN CYS 10 -6.974 -3.614 -4.006 72 HA CYS 10 HA CYS 10 -6.901 -1.179 -2.472 73 1HB CYS 10 2HB CYS 10 -4.933 -1.048 -4.070 74 2HB CYS 10 3HB CYS 10 -6.086 -1.066 -5.389 75 H ILE 11 HN ILE 11 -8.801 0.105 -2.904 76 HA ILE 11 HA ILE 11 -10.621 -1.028 -4.899 77 HB ILE 11 HB ILE 11 -12.474 -0.690 -3.269 78 1HG1 ILE 11 2HG1 ILE 11 -11.377 -0.929 -0.794 79 2HG1 ILE 11 3HG1 ILE 11 -10.201 0.128 -1.549 80 1HG2 ILE 11 1HG2 ILE 11 -10.895 -2.704 -1.871 81 2HG2 ILE 11 2HG2 ILE 11 -12.371 -2.875 -2.851 82 3HG2 ILE 11 3HG2 ILE 11 -10.776 -2.849 -3.641 83 1HD1 ILE 11 1HD1 ILE 11 -11.643 1.817 -1.047 84 2HD1 ILE 11 2HD1 ILE 11 -12.617 1.221 -2.412 85 3HD1 ILE 11 3HD1 ILE 11 -12.987 0.688 -0.754 86 H GLY 12 HN GLY 12 -9.780 1.706 -2.694 87 1HA GLY 12 1HA GLY 12 -9.474 3.777 -4.167 88 2HA GLY 12 2HA GLY 12 -11.168 3.532 -4.545 89 H CYS 13 HN CYS 13 -9.378 3.075 -1.422 90 HA CYS 13 HA CYS 13 -11.399 4.739 -0.165 91 1HB CYS 13 2HB CYS 13 -10.961 3.646 1.814 92 2HB CYS 13 3HB CYS 13 -10.604 2.378 0.658 93 H THR 14 HN THR 14 -8.002 4.614 -1.153 94 HA THR 14 HA THR 14 -6.579 6.356 -1.379 95 HB THR 14 HB THR 14 -8.909 7.723 -0.881 96 HG1 THR 14 1HG THR 14 -7.556 9.293 -1.736 97 1HG2 THR 14 1HG2 THR 14 -7.006 8.949 1.113 98 2HG2 THR 14 2HG2 THR 14 -8.779 9.082 1.020 99 3HG2 THR 14 3HG2 THR 14 -8.030 7.608 1.679 100 H GLN 15 HN GLN 15 -7.882 5.353 1.769 101 HA GLN 15 HA GLN 15 -5.872 6.277 3.369 102 1HB GLN 15 2HB GLN 15 -6.985 5.108 4.968 103 2HB GLN 15 3HB GLN 15 -8.128 4.719 3.699 104 1HG GLN 15 2HG GLN 15 -6.499 2.724 3.150 105 2HG GLN 15 3HG GLN 15 -5.832 3.028 4.742 106 1HE2 GLN 15 1HE2 GLN 15 -6.685 0.715 4.791 107 2HE2 GLN 15 2HE2 GLN 15 -8.278 0.479 5.429 108 H CYS 16 HN CYS 16 -3.922 5.283 4.239 109 HA CYS 16 HA CYS 16 -2.230 3.807 4.280 110 1HB CYS 16 2HB CYS 16 -2.300 1.771 3.301 111 2HB CYS 16 3HB CYS 16 -3.977 2.186 3.007 112 H VAL 17 HN VAL 17 -3.379 5.126 1.121 113 HA VAL 17 HA VAL 17 -0.639 5.627 0.305 114 HB VAL 17 HB VAL 17 -3.209 6.310 -1.123 115 1HG1 VAL 17 1HG1 VAL 17 -1.932 6.946 -2.852 116 2HG1 VAL 17 2HG1 VAL 17 -0.574 6.958 -1.701 117 3HG1 VAL 17 3HG1 VAL 17 -0.877 5.520 -2.706 118 1HG2 VAL 17 1HG2 VAL 17 -1.720 3.692 -0.939 119 2HG2 VAL 17 2HG2 VAL 17 -3.467 4.008 -0.804 120 3HG2 VAL 17 3HG2 VAL 17 -2.663 4.113 -2.389 121 H ARG 18 HN ARG 18 -1.970 6.952 2.704 122 HA ARG 18 HA ARG 18 -1.457 9.654 1.772 123 1HB ARG 18 2HB ARG 18 -3.934 8.592 2.933 124 2HB ARG 18 3HB ARG 18 -3.291 9.876 3.937 125 1HG ARG 18 2HG ARG 18 -4.724 10.936 2.314 126 2HG ARG 18 3HG ARG 18 -3.079 11.313 1.842 127 1HD ARG 18 2HD ARG 18 -3.620 8.869 0.531 128 2HD ARG 18 3HD ARG 18 -5.119 9.765 0.392 129 HE ARG 18 HE ARG 18 -2.641 10.361 -0.971 130 1HH1 ARG 18 1HH1 ARG 18 -3.658 13.502 -2.100 131 2HH1 ARG 18 2HH1 ARG 18 -2.502 12.226 -2.284 132 1HH2 ARG 18 1HH2 ARG 18 -5.347 13.319 -0.518 133 2HH2 ARG 18 2HH2 ARG 18 -5.451 11.906 0.478 134 H ALA 19 HN ALA 19 -1.924 7.483 4.651 135 HA ALA 19 HA ALA 19 -0.350 9.169 6.336 136 1HB ALA 19 1HB ALA 19 -2.245 7.147 6.660 137 2HB ALA 19 2HB ALA 19 -0.728 6.394 7.206 138 3HB ALA 19 3HB ALA 19 -1.289 7.909 7.954 139 H CYS 20 HN CYS 20 1.641 9.404 5.137 140 HA CYS 20 HA CYS 20 3.595 7.595 5.892 141 1HB CYS 20 2HB CYS 20 2.478 6.146 4.152 142 2HB CYS 20 3HB CYS 20 2.946 7.322 2.941 143 HA PRO 21 HA PRO 21 4.973 11.670 4.643 144 1HB PRO 21 2HB PRO 21 6.709 12.066 6.716 145 2HB PRO 21 3HB PRO 21 5.025 12.548 6.770 146 1HG PRO 21 2HG PRO 21 6.340 10.254 8.093 147 2HG PRO 21 3HG PRO 21 4.794 10.994 8.460 148 1HD PRO 21 2HD PRO 21 5.228 8.526 7.064 149 2HD PRO 21 3HD PRO 21 3.690 9.324 7.330 150 H LEU 22 HN LEU 22 6.422 8.683 4.862 151 HA LEU 22 HA LEU 22 8.955 9.704 3.847 152 1HB LEU 22 2HB LEU 22 8.090 6.922 4.650 153 2HB LEU 22 3HB LEU 22 9.691 7.362 4.090 154 HG LEU 22 HG LEU 22 9.152 9.121 6.221 155 1HD1 LEU 22 1HD1 LEU 22 8.451 6.290 7.037 156 2HD1 LEU 22 2HD1 LEU 22 8.514 7.737 8.072 157 3HD1 LEU 22 3HD1 LEU 22 7.266 7.598 6.811 158 1HD2 LEU 22 1HD2 LEU 22 10.809 7.249 7.306 159 2HD2 LEU 22 2HD2 LEU 22 11.012 6.931 5.567 160 3HD2 LEU 22 3HD2 LEU 22 11.324 8.558 6.216 161 H ASP 23 HN ASP 23 5.900 8.377 2.809 162 HA ASP 23 HA ASP 23 5.095 8.106 0.802 163 1HB ASP 23 2HB ASP 23 7.820 8.584 -0.463 164 2HB ASP 23 3HB ASP 23 6.244 8.827 -1.191 165 H VAL 24 HN VAL 24 5.143 5.790 1.680 166 HA VAL 24 HA VAL 24 7.187 4.144 0.383 167 HB VAL 24 HB VAL 24 5.260 3.561 2.640 168 1HG1 VAL 24 1HG1 VAL 24 7.021 1.828 1.010 169 2HG1 VAL 24 2HG1 VAL 24 7.154 1.608 2.772 170 3HG1 VAL 24 3HG1 VAL 24 5.576 1.425 1.968 171 1HG2 VAL 24 1HG2 VAL 24 7.191 5.176 3.071 172 2HG2 VAL 24 2HG2 VAL 24 7.088 3.750 4.132 173 3HG2 VAL 24 3HG2 VAL 24 8.274 3.788 2.805 174 H LEU 25 HN LEU 25 3.645 3.945 1.198 175 HA LEU 25 HA LEU 25 3.122 2.061 -0.805 176 1HB LEU 25 2HB LEU 25 1.185 3.995 0.467 177 2HB LEU 25 3HB LEU 25 0.805 2.473 -0.315 178 HG LEU 25 HG LEU 25 2.505 1.585 1.599 179 1HD1 LEU 25 1HD1 LEU 25 1.551 4.244 2.486 180 2HD1 LEU 25 2HD1 LEU 25 1.421 2.927 3.676 181 3HD1 LEU 25 3HD1 LEU 25 2.999 3.320 2.953 182 1HD2 LEU 25 1HD2 LEU 25 0.707 0.397 2.134 183 2HD2 LEU 25 2HD2 LEU 25 -0.139 1.837 2.750 184 3HD2 LEU 25 3HD2 LEU 25 -0.228 1.424 1.021 185 H GLU 26 HN GLU 26 3.990 2.662 -2.808 186 HA GLU 26 HA GLU 26 2.915 5.142 -3.890 187 1HB GLU 26 2HB GLU 26 5.294 3.469 -4.815 188 2HB GLU 26 3HB GLU 26 4.760 4.957 -5.572 189 1HG GLU 26 2HG GLU 26 4.976 5.906 -3.064 190 2HG GLU 26 3HG GLU 26 6.084 4.559 -2.891 191 H MET 27 HN MET 27 3.185 4.631 -6.643 192 HA MET 27 HA MET 27 1.012 2.766 -6.962 193 1HB MET 27 2HB MET 27 0.918 3.774 -9.274 194 2HB MET 27 3HB MET 27 0.857 5.002 -8.026 195 1HG MET 27 2HG MET 27 2.732 5.983 -8.849 196 2HG MET 27 3HG MET 27 3.638 4.498 -8.635 197 1HE MET 27 1HE MET 27 2.962 7.041 -10.599 198 2HE MET 27 2HE MET 27 3.232 6.525 -12.282 199 3HE MET 27 3HE MET 27 1.578 6.594 -11.627 200 H VAL 28 HN VAL 28 1.129 0.810 -8.069 201 HA VAL 28 HA VAL 28 3.718 0.191 -9.307 202 HB VAL 28 HB VAL 28 3.918 -1.794 -8.196 203 1HG1 VAL 28 1HG1 VAL 28 2.349 -0.398 -6.031 204 2HG1 VAL 28 2HG1 VAL 28 3.849 -1.348 -5.902 205 3HG1 VAL 28 3HG1 VAL 28 3.883 0.275 -6.633 206 1HG2 VAL 28 1HG2 VAL 28 1.662 -2.501 -6.787 207 2HG2 VAL 28 2HG2 VAL 28 0.977 -1.799 -8.272 208 3HG2 VAL 28 3HG2 VAL 28 2.132 -3.149 -8.377 209 HA PRO 29 HA PRO 29 1.373 -1.456 -12.549 210 1HB PRO 29 2HB PRO 29 2.606 -3.791 -13.254 211 2HB PRO 29 3HB PRO 29 3.217 -2.211 -13.703 212 1HG PRO 29 2HG PRO 29 4.222 -4.069 -11.634 213 2HG PRO 29 3HG PRO 29 5.041 -2.712 -12.383 214 1HD PRO 29 2HD PRO 29 3.880 -2.781 -9.761 215 2HD PRO 29 3HD PRO 29 4.595 -1.392 -10.554 216 H TRP 30 HN TRP 30 -0.711 -1.973 -12.449 217 HA TRP 30 HA TRP 30 -1.250 -4.648 -11.401 218 1HB TRP 30 2HB TRP 30 -1.566 -3.155 -9.514 219 2HB TRP 30 3HB TRP 30 -2.614 -2.119 -10.463 220 HD1 TRP 30 HD1 TRP 30 -5.120 -2.562 -9.914 221 HE1 TRP 30 HE1 TRP 30 -6.666 -4.561 -9.156 222 HE3 TRP 30 HE3 TRP 30 -1.436 -6.065 -9.818 223 HZ2 TRP 30 HZ2 TRP 30 -6.186 -7.321 -8.614 224 HZ3 TRP 30 HZ3 TRP 30 -2.059 -8.388 -9.163 225 HH2 TRP 30 HH2 TRP 30 -4.340 -9.039 -8.574 226 H ASP 31 HN ASP 31 -3.772 -5.065 -11.885 227 HA ASP 31 HA ASP 31 -4.476 -3.717 -14.350 228 1HB ASP 31 2HB ASP 31 -3.245 -6.077 -14.583 229 2HB ASP 31 3HB ASP 31 -4.815 -6.717 -14.140 230 H GLY 32 HN GLY 32 -5.815 -2.913 -12.244 231 1HA GLY 32 1HA GLY 32 -8.397 -4.235 -12.393 232 2HA GLY 32 2HA GLY 32 -7.622 -4.275 -10.822 233 H CYS 33 HN CYS 33 -6.205 -1.657 -11.216 234 HA CYS 33 HA CYS 33 -8.317 -0.019 -10.269 235 1HB CYS 33 2HB CYS 33 -5.500 -0.029 -10.096 236 2HB CYS 33 3HB CYS 33 -5.911 1.459 -10.926 237 HG CYS 33 HG CYS 33 -7.040 2.641 -9.161 238 H LYS 34 HN LYS 34 -8.529 2.319 -11.284 239 HA LYS 34 HA LYS 34 -9.461 1.990 -13.911 240 1HB LYS 34 2HB LYS 34 -9.801 3.816 -11.844 241 2HB LYS 34 3HB LYS 34 -8.980 4.755 -13.074 242 1HG LYS 34 2HG LYS 34 -11.120 5.018 -13.886 243 2HG LYS 34 3HG LYS 34 -10.770 3.491 -14.673 244 1HD LYS 34 2HD LYS 34 -11.915 3.468 -11.870 245 2HD LYS 34 3HD LYS 34 -12.984 3.788 -13.221 246 1HE LYS 34 2HE LYS 34 -12.004 1.645 -14.311 247 2HE LYS 34 3HE LYS 34 -11.289 1.299 -12.749 248 1HZ LYS 34 1HZ LYS 34 -14.098 1.381 -13.484 249 2HZ LYS 34 2HZ LYS 34 -13.294 0.277 -12.588 250 3HZ LYS 34 3HZ LYS 34 -13.689 1.724 -11.940 251 H ALA 35 HN ALA 35 -6.320 2.728 -12.550 252 HA ALA 35 HA ALA 35 -5.388 3.429 -15.251 253 1HB ALA 35 1HB ALA 35 -3.442 4.225 -13.393 254 2HB ALA 35 2HB ALA 35 -4.582 5.283 -14.258 255 3HB ALA 35 3HB ALA 35 -4.991 4.670 -12.638 256 H GLY 36 HN GLY 36 -5.892 0.741 -13.906 257 1HA GLY 36 1HA GLY 36 -4.819 -1.209 -13.498 258 2HA GLY 36 2HA GLY 36 -3.900 -0.761 -14.921 259 H GLN 37 HN GLN 37 -4.002 0.527 -11.517 260 HA GLN 37 HA GLN 37 -1.315 -0.395 -11.135 261 1HB GLN 37 2HB GLN 37 -0.499 1.901 -10.474 262 2HB GLN 37 3HB GLN 37 -0.813 1.721 -12.188 263 1HG GLN 37 2HG GLN 37 -2.177 3.528 -12.055 264 2HG GLN 37 3HG GLN 37 -3.294 2.547 -11.128 265 1HE2 GLN 37 1HE2 GLN 37 -3.708 3.050 -9.098 266 2HE2 GLN 37 2HE2 GLN 37 -2.856 4.202 -8.124 267 H ILE 38 HN ILE 38 -1.212 -1.197 -9.081 268 HA ILE 38 HA ILE 38 -3.272 -0.300 -7.216 269 HB ILE 38 HB ILE 38 -2.738 -2.766 -7.938 270 1HG1 ILE 38 2HG1 ILE 38 -3.131 -3.011 -5.136 271 2HG1 ILE 38 3HG1 ILE 38 -3.902 -1.515 -5.623 272 1HG2 ILE 38 1HG2 ILE 38 -1.130 -3.045 -5.516 273 2HG2 ILE 38 2HG2 ILE 38 -0.922 -3.772 -7.128 274 3HG2 ILE 38 3HG2 ILE 38 -0.298 -2.137 -6.802 275 1HD1 ILE 38 1HD1 ILE 38 -5.496 -3.364 -5.853 276 2HD1 ILE 38 2HD1 ILE 38 -5.083 -2.745 -7.470 277 3HD1 ILE 38 3HD1 ILE 38 -4.353 -4.259 -6.883 278 H ALA 39 HN ALA 39 -2.763 0.459 -5.116 279 HA ALA 39 HA ALA 39 -0.203 1.772 -5.001 280 1HB ALA 39 1HB ALA 39 -2.356 1.734 -2.868 281 2HB ALA 39 2HB ALA 39 -1.158 3.003 -3.215 282 3HB ALA 39 3HB ALA 39 -2.509 2.724 -4.339 283 H SER 40 HN SER 40 1.541 0.541 -4.454 284 HA SER 40 HA SER 40 1.218 -1.067 -2.054 285 1HB SER 40 2HB SER 40 2.313 -1.924 -4.736 286 2HB SER 40 3HB SER 40 2.988 -2.632 -3.282 287 HG SER 40 HG SER 40 0.595 -3.175 -4.527 288 H SER 41 HN SER 41 3.734 -1.882 -1.512 289 HA SER 41 HA SER 41 5.287 0.582 -1.691 290 1HB SER 41 2HB SER 41 5.411 -1.485 0.546 291 2HB SER 41 3HB SER 41 6.209 0.075 0.515 292 HG SER 41 HG SER 41 4.157 1.124 0.608 293 HA PRO 42 HA PRO 42 7.700 -2.653 -3.721 294 1HB PRO 42 2HB PRO 42 8.515 -1.170 -5.867 295 2HB PRO 42 3HB PRO 42 7.081 -2.177 -5.888 296 1HG PRO 42 2HG PRO 42 7.277 0.767 -5.697 297 2HG PRO 42 3HG PRO 42 5.895 -0.215 -6.141 298 1HD PRO 42 2HD PRO 42 6.339 1.083 -3.622 299 2HD PRO 42 3HD PRO 42 5.017 0.007 -4.028 300 H ARG 43 HN ARG 43 8.819 0.697 -3.970 301 HA ARG 43 HA ARG 43 11.404 -0.260 -3.164 302 1HB ARG 43 2HB ARG 43 10.576 2.613 -3.796 303 2HB ARG 43 3HB ARG 43 12.205 1.967 -3.789 304 1HG ARG 43 2HG ARG 43 10.069 0.838 -5.640 305 2HG ARG 43 3HG ARG 43 11.010 2.245 -6.092 306 1HD ARG 43 2HD ARG 43 12.569 0.779 -6.880 307 2HD ARG 43 3HD ARG 43 12.981 0.475 -5.204 308 HE ARG 43 HE ARG 43 10.776 -1.178 -5.706 309 1HH1 ARG 43 1HH1 ARG 43 12.396 -3.919 -7.135 310 2HH1 ARG 43 2HH1 ARG 43 10.958 -3.365 -6.343 311 1HH2 ARG 43 1HH2 ARG 43 14.136 -2.440 -7.548 312 2HH2 ARG 43 2HH2 ARG 43 13.997 -0.783 -7.065 313 H THR 44 HN THR 44 10.838 -0.815 -0.917 314 HA THR 44 HA THR 44 9.953 1.364 0.787 315 HB THR 44 HB THR 44 10.657 -1.560 1.378 316 HG1 THR 44 1HG THR 44 8.096 -0.179 1.056 317 1HG2 THR 44 1HG2 THR 44 10.535 -0.216 3.452 318 2HG2 THR 44 2HG2 THR 44 9.030 0.552 2.890 319 3HG2 THR 44 3HG2 THR 44 9.048 -1.182 3.294 320 H GLU 45 HN GLU 45 12.647 1.332 -0.678 321 HA GLU 45 HA GLU 45 14.684 0.813 1.034 322 1HB GLU 45 2HB GLU 45 16.017 2.302 -0.320 323 2HB GLU 45 3HB GLU 45 14.847 1.544 -1.381 324 1HG GLU 45 2HG GLU 45 13.439 3.524 -1.396 325 2HG GLU 45 3HG GLU 45 14.342 4.257 -0.086 326 H ASP 46 HN ASP 46 12.325 3.460 1.093 327 HA ASP 46 HA ASP 46 13.801 4.591 3.338 328 1HB ASP 46 2HB ASP 46 11.974 5.792 1.242 329 2HB ASP 46 3HB ASP 46 12.098 6.575 2.805 330 H CYS 47 HN CYS 47 12.855 3.812 5.237 331 HA CYS 47 HA CYS 47 10.398 4.464 6.096 332 1HB CYS 47 2HB CYS 47 9.136 3.299 4.524 333 2HB CYS 47 3HB CYS 47 10.253 1.951 4.453 334 H VAL 48 HN VAL 48 11.032 4.409 8.226 335 HA VAL 48 HA VAL 48 12.618 2.099 9.087 336 HB VAL 48 HB VAL 48 13.616 4.347 9.295 337 1HG1 VAL 48 1HG1 VAL 48 11.023 4.951 10.481 338 2HG1 VAL 48 2HG1 VAL 48 12.367 5.439 11.540 339 3HG1 VAL 48 3HG1 VAL 48 12.283 6.049 9.870 340 1HG2 VAL 48 1HG2 VAL 48 13.377 3.822 12.129 341 2HG2 VAL 48 2HG2 VAL 48 13.493 2.295 11.223 342 3HG2 VAL 48 3HG2 VAL 48 14.753 3.538 11.036 343 H GLY 49 HN GLY 49 9.914 1.584 8.665 344 1HA GLY 49 1HA GLY 49 8.018 0.904 9.675 345 2HA GLY 49 2HA GLY 49 9.078 0.413 10.981 346 H CYS 50 HN CYS 50 7.738 3.529 9.648 347 HA CYS 50 HA CYS 50 7.655 4.621 12.296 348 1HB CYS 50 2HB CYS 50 7.357 6.655 11.303 349 2HB CYS 50 3HB CYS 50 8.095 5.807 9.958 350 H LYS 51 HN LYS 51 5.444 5.757 12.931 351 HA LYS 51 HA LYS 51 3.360 3.735 12.547 352 1HB LYS 51 2HB LYS 51 4.426 4.944 14.858 353 2HB LYS 51 3HB LYS 51 2.837 5.653 14.655 354 1HG LYS 51 2HG LYS 51 2.296 3.000 14.100 355 2HG LYS 51 3HG LYS 51 3.591 2.834 15.269 356 1HD LYS 51 2HD LYS 51 1.712 4.891 16.149 357 2HD LYS 51 3HD LYS 51 0.850 3.406 15.795 358 1HE LYS 51 2HE LYS 51 3.075 2.457 17.172 359 2HE LYS 51 3HE LYS 51 2.788 3.990 17.970 360 1HZ LYS 51 1HZ LYS 51 0.325 2.996 17.771 361 2HZ LYS 51 2HZ LYS 51 1.188 1.625 17.977 362 3HZ LYS 51 3HZ LYS 51 1.282 2.822 19.083 363 H ARG 52 HN ARG 52 2.646 4.487 10.479 364 HA ARG 52 HA ARG 52 1.035 6.869 10.766 365 1HB ARG 52 2HB ARG 52 3.347 7.233 9.511 366 2HB ARG 52 3HB ARG 52 2.561 6.409 8.179 367 1HG ARG 52 2HG ARG 52 1.890 8.549 7.645 368 2HG ARG 52 3HG ARG 52 0.589 8.174 8.757 369 1HD ARG 52 2HD ARG 52 2.823 9.100 10.329 370 2HD ARG 52 3HD ARG 52 2.617 10.222 8.998 371 HE ARG 52 HE ARG 52 0.031 9.893 9.861 372 1HH1 ARG 52 1HH1 ARG 52 -0.072 11.812 12.774 373 2HH1 ARG 52 2HH1 ARG 52 -1.007 11.096 11.504 374 1HH2 ARG 52 1HH2 ARG 52 2.234 11.551 12.807 375 2HH2 ARG 52 2HH2 ARG 52 3.020 10.639 11.562 376 H CYS 53 HN CYS 53 2.034 4.403 8.266 377 HA CYS 53 HA CYS 53 -0.213 4.246 6.832 378 1HB CYS 53 2HB CYS 53 0.358 1.707 6.650 379 2HB CYS 53 3HB CYS 53 1.497 2.898 6.052 380 H GLU 54 HN GLU 54 0.309 1.500 9.099 381 HA GLU 54 HA GLU 54 -1.236 0.263 10.087 382 1HB GLU 54 2HB GLU 54 -0.390 2.033 11.748 383 2HB GLU 54 3HB GLU 54 -1.907 2.875 11.501 384 1HG GLU 54 2HG GLU 54 -3.160 0.829 12.219 385 2HG GLU 54 3HG GLU 54 -1.643 -0.012 12.466 386 H THR 55 HN THR 55 -2.287 1.048 7.599 387 HA THR 55 HA THR 55 -5.080 0.813 8.132 388 HB THR 55 HB THR 55 -4.564 3.325 8.424 389 HG1 THR 55 1HG THR 55 -6.275 2.013 6.488 390 1HG2 THR 55 1HG2 THR 55 -3.007 3.829 6.651 391 2HG2 THR 55 2HG2 THR 55 -3.973 2.934 5.454 392 3HG2 THR 55 3HG2 THR 55 -4.565 4.485 6.095 393 H ALA 56 HN ALA 56 -2.793 -0.585 6.801 394 HA ALA 56 HA ALA 56 -3.016 -0.307 4.029 395 1HB ALA 56 1HB ALA 56 -1.347 -1.809 4.132 396 2HB ALA 56 2HB ALA 56 -1.560 -1.840 5.899 397 3HB ALA 56 3HB ALA 56 -2.416 -3.021 4.879 398 H CYS 57 HN CYS 57 -5.211 -0.128 3.400 399 HA CYS 57 HA CYS 57 -7.227 -0.809 2.855 400 1HB CYS 57 2HB CYS 57 -5.446 -2.927 2.133 401 2HB CYS 57 3HB CYS 57 -6.941 -3.656 2.683 402 HA PRO 58 HA PRO 58 -9.360 -2.479 6.282 403 1HB PRO 58 2HB PRO 58 -11.396 -4.006 5.287 404 2HB PRO 58 3HB PRO 58 -11.443 -2.255 5.327 405 1HG PRO 58 2HG PRO 58 -10.994 -4.044 3.017 406 2HG PRO 58 3HG PRO 58 -11.463 -2.356 3.023 407 1HD PRO 58 2HD PRO 58 -8.859 -3.411 2.449 408 2HD PRO 58 3HD PRO 58 -9.301 -1.720 2.568 409 H THR 59 HN THR 59 -7.385 -4.388 4.623 410 HA THR 59 HA THR 59 -6.251 -6.191 5.342 411 HB THR 59 HB THR 59 -8.309 -6.727 7.514 412 HG1 THR 59 1HG THR 59 -7.056 -5.042 8.689 413 1HG2 THR 59 1HG2 THR 59 -6.619 -8.041 8.306 414 2HG2 THR 59 2HG2 THR 59 -5.621 -7.606 6.897 415 3HG2 THR 59 3HG2 THR 59 -5.558 -6.613 8.373 416 H ASP 60 HN ASP 60 -9.446 -5.993 4.250 417 HA ASP 60 HA ASP 60 -10.451 -8.448 4.253 418 1HB ASP 60 2HB ASP 60 -10.637 -6.110 2.584 419 2HB ASP 60 3HB ASP 60 -10.571 -7.498 1.517 420 H PHE 61 HN PHE 61 -7.515 -7.303 2.635 421 HA PHE 61 HA PHE 61 -7.200 -9.956 1.415 422 1HB PHE 61 2HB PHE 61 -6.343 -7.120 0.609 423 2HB PHE 61 3HB PHE 61 -5.612 -8.531 -0.131 424 HD1 PHE 61 HD1 PHE 61 -6.951 -10.004 -1.584 425 HD2 PHE 61 HD2 PHE 61 -8.577 -6.437 0.040 426 HE1 PHE 61 HE1 PHE 61 -8.819 -10.094 -3.257 427 HE2 PHE 61 HE2 PHE 61 -10.446 -6.527 -1.633 428 HZ PHE 61 HZ PHE 61 -10.545 -8.354 -3.262 429 H LEU 62 HN LEU 62 -4.652 -7.519 1.377 430 HA LEU 62 HA LEU 62 -2.531 -7.777 2.061 431 1HB LEU 62 2HB LEU 62 -4.328 -7.132 4.215 432 2HB LEU 62 3HB LEU 62 -2.942 -8.003 4.841 433 HG LEU 62 HG LEU 62 -1.491 -6.329 3.548 434 1HD1 LEU 62 1HD1 LEU 62 -3.919 -5.517 2.500 435 2HD1 LEU 62 2HD1 LEU 62 -3.544 -4.258 3.701 436 3HD1 LEU 62 3HD1 LEU 62 -2.378 -4.631 2.409 437 1HD2 LEU 62 1HD2 LEU 62 -1.370 -4.897 5.389 438 2HD2 LEU 62 2HD2 LEU 62 -3.108 -5.044 5.743 439 3HD2 LEU 62 3HD2 LEU 62 -2.016 -6.412 6.063 440 H SER 63 HN SER 63 -1.896 -9.771 1.141 441 HA SER 63 HA SER 63 -2.524 -12.234 1.847 442 1HB SER 63 2HB SER 63 -0.336 -10.970 0.511 443 2HB SER 63 3HB SER 63 0.368 -12.153 1.596 444 HG SER 63 HG SER 63 -1.880 -13.091 0.191 445 H ILE 64 HN ILE 64 -2.136 -13.717 3.521 446 HA ILE 64 HA ILE 64 -1.439 -12.661 6.027 447 HB ILE 64 HB ILE 64 -2.999 -14.453 5.830 448 1HG1 ILE 64 2HG1 ILE 64 -1.855 -16.183 7.356 449 2HG1 ILE 64 3HG1 ILE 64 -0.431 -15.166 7.253 450 1HG2 ILE 64 1HG2 ILE 64 -2.745 -15.973 4.231 451 2HG2 ILE 64 2HG2 ILE 64 -1.023 -15.570 4.031 452 3HG2 ILE 64 3HG2 ILE 64 -1.523 -16.759 5.258 453 1HD1 ILE 64 1HD1 ILE 64 -2.622 -14.832 9.002 454 2HD1 ILE 64 2HD1 ILE 64 -1.295 -13.677 8.727 455 3HD1 ILE 64 3HD1 ILE 64 -2.802 -13.541 7.790 456 H ARG 65 HN ARG 65 0.608 -11.692 5.999 457 HA ARG 65 HA ARG 65 2.751 -13.642 5.778 458 1HB ARG 65 2HB ARG 65 2.428 -11.024 4.369 459 2HB ARG 65 3HB ARG 65 4.014 -11.290 5.063 460 1HG ARG 65 2HG ARG 65 2.741 -13.519 3.464 461 2HG ARG 65 3HG ARG 65 3.430 -12.157 2.603 462 1HD ARG 65 2HD ARG 65 5.235 -13.116 4.725 463 2HD ARG 65 3HD ARG 65 4.835 -14.394 3.594 464 HE ARG 65 HE ARG 65 5.410 -12.287 1.915 465 1HH1 ARG 65 1HH1 ARG 65 8.898 -12.196 1.984 466 2HH1 ARG 65 2HH1 ARG 65 7.477 -11.755 1.098 467 1HH2 ARG 65 1HH2 ARG 65 8.703 -13.328 4.001 468 2HH2 ARG 65 2HH2 ARG 65 7.136 -13.731 4.620 469 H VAL 66 HN VAL 66 1.558 -10.479 7.041 470 HA VAL 66 HA VAL 66 1.923 -9.410 8.940 471 HB VAL 66 HB VAL 66 3.075 -12.066 9.814 472 1HG1 VAL 66 1HG1 VAL 66 3.364 -9.594 11.093 473 2HG1 VAL 66 2HG1 VAL 66 2.015 -10.388 11.940 474 3HG1 VAL 66 3HG1 VAL 66 3.590 -11.206 11.811 475 1HG2 VAL 66 1HG2 VAL 66 0.641 -11.590 11.107 476 2HG2 VAL 66 2HG2 VAL 66 0.365 -11.078 9.425 477 3HG2 VAL 66 3HG2 VAL 66 0.939 -12.727 9.770 478 H TYR 67 HN TYR 67 3.442 -7.907 9.607 479 HA TYR 67 HA TYR 67 6.240 -8.514 9.434 480 1HB TYR 67 2HB TYR 67 4.656 -7.217 7.283 481 2HB TYR 67 3HB TYR 67 5.902 -6.134 7.871 482 HD1 TYR 67 HD1 TYR 67 8.319 -7.282 8.118 483 HD2 TYR 67 HD2 TYR 67 5.193 -8.652 5.538 484 HE1 TYR 67 HE1 TYR 67 10.031 -8.473 6.664 485 HE2 TYR 67 HE2 TYR 67 6.915 -9.838 4.093 486 HH TYR 67 HH TYR 67 9.000 -10.279 3.779 487 H LEU 68 HN LEU 68 4.042 -5.619 9.222 488 HA LEU 68 HA LEU 68 5.495 -3.894 10.697 489 1HB LEU 68 2HB LEU 68 2.500 -4.272 10.657 490 2HB LEU 68 3HB LEU 68 3.308 -2.872 11.334 491 HG LEU 68 HG LEU 68 3.801 -3.671 8.473 492 1HD1 LEU 68 1HD1 LEU 68 1.480 -1.986 9.454 493 2HD1 LEU 68 2HD1 LEU 68 1.964 -2.219 7.757 494 3HD1 LEU 68 3HD1 LEU 68 1.373 -3.600 8.711 495 1HD2 LEU 68 1HD2 LEU 68 3.977 -1.088 8.350 496 2HD2 LEU 68 2HD2 LEU 68 4.114 -1.175 10.122 497 3HD2 LEU 68 3HD2 LEU 68 5.301 -2.014 9.096 498 H GLY 69 HN GLY 69 6.299 -3.802 12.726 499 1HA GLY 69 1HA GLY 69 6.829 -4.629 14.778 500 2HA GLY 69 2HA GLY 69 5.150 -4.236 15.088 501 H ALA 70 HN ALA 70 6.783 -6.856 13.158 502 HA ALA 70 HA ALA 70 5.292 -8.783 14.805 503 1HB ALA 70 1HB ALA 70 4.384 -9.682 12.950 504 2HB ALA 70 2HB ALA 70 4.951 -8.239 12.075 505 3HB ALA 70 3HB ALA 70 5.955 -9.708 12.113 506 H GLU 71 HN GLU 71 7.991 -8.640 12.364 507 HA GLU 71 HA GLU 71 9.408 -10.514 14.060 508 1HB GLU 71 2HB GLU 71 9.019 -10.567 11.373 509 2HB GLU 71 3HB GLU 71 10.521 -9.665 11.409 510 1HG GLU 71 2HG GLU 71 11.156 -11.977 11.271 511 2HG GLU 71 3HG GLU 71 11.477 -11.497 12.926 512 H THR 72 HN THR 72 10.066 -7.489 12.141 513 HA THR 72 HA THR 72 11.780 -6.030 12.346 514 HB THR 72 HB THR 72 11.533 -4.803 14.568 515 HG1 THR 72 1HG THR 72 10.670 -6.067 16.168 516 1HG2 THR 72 1HG2 THR 72 9.434 -5.349 12.623 517 2HG2 THR 72 2HG2 THR 72 8.718 -5.237 14.249 518 3HG2 THR 72 3HG2 THR 72 9.678 -3.883 13.603 519 H THR 73 HN THR 73 12.962 -8.472 12.280 520 HA THR 73 HA THR 73 14.915 -8.326 14.483 521 HB THR 73 HB THR 73 13.863 -10.641 12.781 522 HG1 THR 73 1HG THR 73 12.834 -9.661 14.838 523 1HG2 THR 73 1HG2 THR 73 15.364 -12.067 14.200 524 2HG2 THR 73 2HG2 THR 73 16.306 -10.983 13.147 525 3HG2 THR 73 3HG2 THR 73 16.104 -10.594 14.873 526 H ARG 74 HN ARG 74 14.593 -9.113 10.956 527 HA ARG 74 HA ARG 74 17.322 -8.126 10.727 528 1HB ARG 74 2HB ARG 74 17.496 -9.528 8.677 529 2HB ARG 74 3HB ARG 74 17.070 -10.506 10.067 530 1HG ARG 74 2HG ARG 74 14.774 -9.365 8.511 531 2HG ARG 74 3HG ARG 74 15.717 -10.596 7.695 532 1HD ARG 74 2HD ARG 74 14.734 -11.028 10.542 533 2HD ARG 74 3HD ARG 74 13.688 -11.355 9.175 534 HE ARG 74 HE ARG 74 16.376 -12.593 9.065 535 1HH1 ARG 74 1HH1 ARG 74 15.005 -15.796 9.254 536 2HH1 ARG 74 2HH1 ARG 74 16.442 -14.875 8.964 537 1HH2 ARG 74 1HH2 ARG 74 13.011 -14.713 9.743 538 2HH2 ARG 74 2HH2 ARG 74 12.961 -12.984 9.819 539 H SER 75 HN SER 75 13.960 -7.732 9.836 540 HA SER 75 HA SER 75 14.729 -5.891 7.718 541 1HB SER 75 2HB SER 75 13.021 -7.812 7.344 542 2HB SER 75 3HB SER 75 11.912 -6.866 8.317 543 HG SER 75 HG SER 75 11.671 -5.411 6.725 544 H MET 76 HN MET 76 14.819 -5.510 10.768 545 HA MET 76 HA MET 76 12.871 -4.134 11.872 546 1HB MET 76 2HB MET 76 15.776 -4.199 12.035 547 2HB MET 76 3HB MET 76 15.259 -2.539 12.259 548 1HG MET 76 2HG MET 76 13.831 -4.750 13.764 549 2HG MET 76 3HG MET 76 15.386 -4.186 14.342 550 1HE MET 76 1HE MET 76 14.293 -2.793 16.788 551 2HE MET 76 2HE MET 76 15.736 -2.691 15.751 552 3HE MET 76 3HE MET 76 14.839 -1.213 16.177 553 H GLY 77 HN GLY 77 15.401 -2.478 9.836 554 1HA GLY 77 1HA GLY 77 13.534 -0.914 8.410 555 2HA GLY 77 2HA GLY 77 14.151 0.014 9.762 556 H LEU 78 HN LEU 78 16.815 -1.180 9.890 557 HA LEU 78 HA LEU 78 17.893 -0.144 7.359 558 1HB LEU 78 2HB LEU 78 18.660 1.425 8.778 559 2HB LEU 78 3HB LEU 78 18.555 0.385 10.184 560 HG LEU 78 HG LEU 78 20.872 1.162 9.464 561 1HD1 LEU 78 1HD1 LEU 78 21.432 -1.609 9.549 562 2HD1 LEU 78 2HD1 LEU 78 21.436 -0.438 10.890 563 3HD1 LEU 78 3HD1 LEU 78 19.955 -1.349 10.508 564 1HD2 LEU 78 1HD2 LEU 78 20.050 -0.105 7.025 565 2HD2 LEU 78 2HD2 LEU 78 21.535 0.810 7.378 566 3HD2 LEU 78 3HD2 LEU 78 21.479 -0.944 7.674 567 H ALA 79 HN ALA 79 18.244 -2.538 10.035 568 HA ALA 79 HA ALA 79 20.414 -3.922 9.248 569 1HB ALA 79 1HB ALA 79 18.078 -4.353 10.855 570 2HB ALA 79 2HB ALA 79 18.381 -5.830 9.908 571 3HB ALA 79 3HB ALA 79 19.658 -5.166 10.956 572 H TYR 80 HN TYR 80 17.260 -3.730 7.624 573 HA TYR 80 HA TYR 80 17.656 -5.980 5.949 574 1HB TYR 80 2HB TYR 80 15.556 -5.224 5.123 575 2HB TYR 80 3HB TYR 80 15.574 -4.403 6.671 576 HD1 TYR 80 HD1 TYR 80 17.144 -2.067 6.414 577 HD2 TYR 80 HD2 TYR 80 14.687 -3.907 3.434 578 HE1 TYR 80 HE1 TYR 80 16.900 0.167 5.225 579 HE2 TYR 80 HE2 TYR 80 14.452 -1.667 2.255 580 HH TYR 80 HH TYR 80 15.699 1.275 3.709 Start of MODEL 2 1 H SER 1 HN SER 1 -4.025 -1.237 13.250 2 HA SER 1 HA SER 1 -1.748 -2.093 13.154 3 1HB SER 1 2HB SER 1 -4.030 -3.439 14.508 4 2HB SER 1 3HB SER 1 -2.566 -4.398 14.431 5 HG SER 1 HG SER 1 -1.591 -3.093 15.841 6 H HIS 2 HN HIS 2 -1.882 -2.433 10.577 7 HA HIS 2 HA HIS 2 -1.242 -5.218 10.195 8 1HB HIS 2 2HB HIS 2 -3.151 -4.016 8.215 9 2HB HIS 2 3HB HIS 2 -2.773 -5.701 8.513 10 HD1 HIS 2 HD1 HIS 2 -3.719 -6.678 10.906 11 HD2 HIS 2 HD2 HIS 2 -5.408 -3.108 9.493 12 HE1 HIS 2 HE1 HIS 2 -5.916 -6.379 12.168 13 H SER 3 HN SER 3 0.379 -5.496 8.654 14 HA SER 3 HA SER 3 1.802 -3.196 7.980 15 1HB SER 3 2HB SER 3 3.388 -4.677 6.995 16 2HB SER 3 3HB SER 3 2.691 -5.578 8.326 17 HG SER 3 HG SER 3 2.048 -7.055 6.930 18 H VAL 4 HN VAL 4 2.593 -2.921 5.525 19 HA VAL 4 HA VAL 4 0.214 -3.119 3.811 20 HB VAL 4 HB VAL 4 2.167 -0.823 4.059 21 1HG1 VAL 4 1HG1 VAL 4 0.218 -1.578 1.969 22 2HG1 VAL 4 2HG1 VAL 4 0.098 0.105 2.536 23 3HG1 VAL 4 3HG1 VAL 4 1.638 -0.507 1.887 24 1HG2 VAL 4 1HG2 VAL 4 -0.774 -0.523 4.511 25 2HG2 VAL 4 2HG2 VAL 4 0.197 -1.288 5.791 26 3HG2 VAL 4 3HG2 VAL 4 0.594 0.356 5.236 27 H LYS 5 HN LYS 5 2.143 -5.155 3.952 28 HA LYS 5 HA LYS 5 4.374 -5.026 2.472 29 1HB LYS 5 2HB LYS 5 2.370 -7.099 3.078 30 2HB LYS 5 3HB LYS 5 3.305 -7.418 1.631 31 1HG LYS 5 2HG LYS 5 5.349 -6.655 3.214 32 2HG LYS 5 3HG LYS 5 4.247 -7.152 4.483 33 1HD LYS 5 2HD LYS 5 5.562 -9.095 3.924 34 2HD LYS 5 3HD LYS 5 3.962 -9.375 3.267 35 1HE LYS 5 2HE LYS 5 4.724 -9.391 1.112 36 2HE LYS 5 3HE LYS 5 5.701 -7.956 1.353 37 1HZ LYS 5 1HZ LYS 5 6.889 -9.971 2.796 38 2HZ LYS 5 2HZ LYS 5 6.515 -10.626 1.348 39 3HZ LYS 5 3HZ LYS 5 7.438 -9.282 1.421 40 H ILE 6 HN ILE 6 4.851 -5.646 0.175 41 HA ILE 6 HA ILE 6 3.394 -3.949 -1.550 42 HB ILE 6 HB ILE 6 5.555 -5.997 -2.046 43 1HG1 ILE 6 2HG1 ILE 6 6.642 -3.530 -2.486 44 2HG1 ILE 6 3HG1 ILE 6 5.519 -3.166 -1.191 45 1HG2 ILE 6 1HG2 ILE 6 5.647 -5.463 -4.252 46 2HG2 ILE 6 2HG2 ILE 6 3.903 -5.225 -3.991 47 3HG2 ILE 6 3HG2 ILE 6 5.000 -3.824 -4.005 48 1HD1 ILE 6 1HD1 ILE 6 7.918 -3.960 -0.545 49 2HD1 ILE 6 2HD1 ILE 6 6.542 -4.697 0.309 50 3HD1 ILE 6 3HD1 ILE 6 7.349 -5.582 -1.007 51 H TYR 7 HN TYR 7 1.206 -4.879 -1.104 52 HA TYR 7 HA TYR 7 0.772 -7.278 -2.752 53 1HB TYR 7 2HB TYR 7 -0.448 -6.089 -0.205 54 2HB TYR 7 3HB TYR 7 -1.404 -7.192 -1.176 55 HD1 TYR 7 HD1 TYR 7 0.056 -9.420 -1.884 56 HD2 TYR 7 HD2 TYR 7 0.607 -7.032 1.623 57 HE1 TYR 7 HE1 TYR 7 1.142 -11.392 -0.703 58 HE2 TYR 7 HE2 TYR 7 1.691 -9.012 2.793 59 HH TYR 7 HH TYR 7 1.813 -11.313 2.691 60 H ASP 8 HN ASP 8 -1.429 -7.362 -3.805 61 HA ASP 8 HA ASP 8 -1.910 -4.783 -4.967 62 1HB ASP 8 2HB ASP 8 -3.402 -6.075 -6.515 63 2HB ASP 8 3HB ASP 8 -1.763 -6.694 -6.474 64 H THR 9 HN THR 9 -2.668 -4.917 -2.220 65 HA THR 9 HA THR 9 -5.527 -5.471 -2.167 66 HB THR 9 HB THR 9 -4.018 -6.255 -0.326 67 HG1 THR 9 1HG THR 9 -6.123 -5.744 0.367 68 1HG2 THR 9 1HG2 THR 9 -2.538 -4.053 -0.527 69 2HG2 THR 9 2HG2 THR 9 -3.779 -3.356 0.543 70 3HG2 THR 9 3HG2 THR 9 -2.830 -4.764 1.079 71 H CYS 10 HN CYS 10 -6.520 -3.917 -3.430 72 HA CYS 10 HA CYS 10 -6.750 -1.378 -2.144 73 1HB CYS 10 2HB CYS 10 -4.673 -1.199 -3.655 74 2HB CYS 10 3HB CYS 10 -5.781 -1.299 -5.009 75 H ILE 11 HN ILE 11 -8.824 -0.547 -2.576 76 HA ILE 11 HA ILE 11 -10.341 -2.006 -4.628 77 HB ILE 11 HB ILE 11 -12.311 -1.701 -3.216 78 1HG1 ILE 11 2HG1 ILE 11 -11.487 -1.168 -0.679 79 2HG1 ILE 11 3HG1 ILE 11 -10.415 -0.115 -1.580 80 1HG2 ILE 11 1HG2 ILE 11 -11.403 -3.814 -2.966 81 2HG2 ILE 11 2HG2 ILE 11 -9.926 -3.208 -2.179 82 3HG2 ILE 11 3HG2 ILE 11 -11.466 -3.227 -1.287 83 1HD1 ILE 11 1HD1 ILE 11 -12.660 0.911 -0.913 84 2HD1 ILE 11 2HD1 ILE 11 -12.259 1.026 -2.643 85 3HD1 ILE 11 3HD1 ILE 11 -13.420 -0.199 -2.078 86 H GLY 12 HN GLY 12 -9.441 1.085 -3.130 87 1HA GLY 12 1HA GLY 12 -9.363 2.865 -4.890 88 2HA GLY 12 2HA GLY 12 -11.050 2.486 -5.179 89 H CYS 13 HN CYS 13 -9.300 2.589 -2.014 90 HA CYS 13 HA CYS 13 -11.231 4.625 -1.193 91 1HB CYS 13 2HB CYS 13 -11.388 3.622 0.815 92 2HB CYS 13 3HB CYS 13 -10.722 2.225 -0.006 93 H THR 14 HN THR 14 -10.111 6.012 0.756 94 HA THR 14 HA THR 14 -7.495 6.875 -0.294 95 HB THR 14 HB THR 14 -8.211 9.150 0.462 96 HG1 THR 14 1HG THR 14 -10.610 9.121 1.098 97 1HG2 THR 14 1HG2 THR 14 -9.044 8.096 -1.836 98 2HG2 THR 14 2HG2 THR 14 -10.621 8.043 -1.011 99 3HG2 THR 14 3HG2 THR 14 -9.790 9.600 -1.243 100 H GLN 15 HN GLN 15 -6.843 4.964 1.183 101 HA GLN 15 HA GLN 15 -6.049 6.209 3.643 102 1HB GLN 15 2HB GLN 15 -7.144 4.843 5.126 103 2HB GLN 15 3HB GLN 15 -8.311 4.738 3.823 104 1HG GLN 15 2HG GLN 15 -7.137 2.672 2.976 105 2HG GLN 15 3HG GLN 15 -6.038 2.762 4.338 106 1HE2 GLN 15 1HE2 GLN 15 -6.989 0.551 4.563 107 2HE2 GLN 15 2HE2 GLN 15 -8.395 0.361 5.556 108 H CYS 16 HN CYS 16 -4.083 5.327 4.483 109 HA CYS 16 HA CYS 16 -2.356 3.893 4.587 110 1HB CYS 16 2HB CYS 16 -2.322 1.849 3.607 111 2HB CYS 16 3HB CYS 16 -4.016 2.198 3.324 112 H VAL 17 HN VAL 17 -3.488 5.243 1.451 113 HA VAL 17 HA VAL 17 -0.763 5.708 0.591 114 HB VAL 17 HB VAL 17 -3.317 6.604 -0.736 115 1HG1 VAL 17 1HG1 VAL 17 -0.460 6.203 -1.590 116 2HG1 VAL 17 2HG1 VAL 17 -1.776 6.059 -2.780 117 3HG1 VAL 17 3HG1 VAL 17 -1.551 7.579 -1.882 118 1HG2 VAL 17 1HG2 VAL 17 -2.031 3.865 -0.735 119 2HG2 VAL 17 2HG2 VAL 17 -3.722 4.300 -0.394 120 3HG2 VAL 17 3HG2 VAL 17 -3.090 4.422 -2.053 121 H ARG 18 HN ARG 18 -2.399 7.027 2.995 122 HA ARG 18 HA ARG 18 -1.678 9.734 2.199 123 1HB ARG 18 2HB ARG 18 -4.129 8.661 3.391 124 2HB ARG 18 3HB ARG 18 -3.427 9.869 4.449 125 1HG ARG 18 2HG ARG 18 -4.804 11.147 3.006 126 2HG ARG 18 3HG ARG 18 -3.203 11.360 2.326 127 1HD ARG 18 2HD ARG 18 -4.193 9.003 1.097 128 2HD ARG 18 3HD ARG 18 -5.563 10.094 1.130 129 HE ARG 18 HE ARG 18 -3.037 11.310 0.213 130 1HH1 ARG 18 1HH1 ARG 18 -4.249 11.669 -3.040 131 2HH1 ARG 18 2HH1 ARG 18 -2.985 12.092 -1.933 132 1HH2 ARG 18 1HH2 ARG 18 -5.994 10.307 -2.342 133 2HH2 ARG 18 2HH2 ARG 18 -6.032 9.714 -0.714 134 H ALA 19 HN ALA 19 -2.162 7.552 5.078 135 HA ALA 19 HA ALA 19 -0.496 9.112 6.754 136 1HB ALA 19 1HB ALA 19 -2.277 6.888 6.949 137 2HB ALA 19 2HB ALA 19 -0.715 6.382 7.634 138 3HB ALA 19 3HB ALA 19 -1.540 7.827 8.269 139 H CYS 20 HN CYS 20 1.531 9.459 5.782 140 HA CYS 20 HA CYS 20 3.456 7.540 6.254 141 1HB CYS 20 2HB CYS 20 2.534 6.253 4.405 142 2HB CYS 20 3HB CYS 20 2.614 7.641 3.339 143 HA PRO 21 HA PRO 21 4.995 11.679 5.694 144 1HB PRO 21 2HB PRO 21 6.955 11.545 7.593 145 2HB PRO 21 3HB PRO 21 5.314 12.049 7.944 146 1HG PRO 21 2HG PRO 21 6.636 9.480 8.565 147 2HG PRO 21 3HG PRO 21 5.179 10.160 9.260 148 1HD PRO 21 2HD PRO 21 5.333 8.061 7.311 149 2HD PRO 21 3HD PRO 21 3.876 8.821 7.920 150 H LEU 22 HN LEU 22 7.266 9.027 6.254 151 HA LEU 22 HA LEU 22 9.379 10.064 4.885 152 1HB LEU 22 2HB LEU 22 8.416 7.377 5.619 153 2HB LEU 22 3HB LEU 22 9.556 7.415 4.288 154 HG LEU 22 HG LEU 22 10.534 9.103 6.405 155 1HD1 LEU 22 1HD1 LEU 22 10.526 6.360 7.484 156 2HD1 LEU 22 2HD1 LEU 22 10.372 7.929 8.310 157 3HD1 LEU 22 3HD1 LEU 22 8.952 7.191 7.531 158 1HD2 LEU 22 1HD2 LEU 22 12.176 6.878 6.249 159 2HD2 LEU 22 2HD2 LEU 22 11.439 6.970 4.632 160 3HD2 LEU 22 3HD2 LEU 22 12.318 8.371 5.291 161 H ASP 23 HN ASP 23 6.281 8.977 3.646 162 HA ASP 23 HA ASP 23 5.407 9.049 1.663 163 1HB ASP 23 2HB ASP 23 6.597 11.269 1.475 164 2HB ASP 23 3HB ASP 23 7.967 10.448 0.756 165 H VAL 24 HN VAL 24 5.913 6.617 1.830 166 HA VAL 24 HA VAL 24 7.889 5.855 -0.210 167 HB VAL 24 HB VAL 24 8.639 5.167 1.956 168 1HG1 VAL 24 1HG1 VAL 24 7.085 3.402 3.165 169 2HG1 VAL 24 2HG1 VAL 24 6.872 5.149 3.434 170 3HG1 VAL 24 3HG1 VAL 24 5.795 4.283 2.311 171 1HG2 VAL 24 1HG2 VAL 24 9.075 2.926 1.508 172 2HG2 VAL 24 2HG2 VAL 24 7.452 2.635 0.836 173 3HG2 VAL 24 3HG2 VAL 24 8.650 3.562 -0.100 174 H LEU 25 HN LEU 25 4.638 5.397 1.222 175 HA LEU 25 HA LEU 25 3.873 3.317 -0.518 176 1HB LEU 25 2HB LEU 25 2.594 5.107 1.457 177 2HB LEU 25 3HB LEU 25 1.537 4.466 0.215 178 HG LEU 25 HG LEU 25 3.076 2.279 1.163 179 1HD1 LEU 25 1HD1 LEU 25 1.960 3.971 3.415 180 2HD1 LEU 25 2HD1 LEU 25 2.480 2.275 3.566 181 3HD1 LEU 25 3HD1 LEU 25 3.663 3.535 3.140 182 1HD2 LEU 25 1HD2 LEU 25 1.077 1.290 1.099 183 2HD2 LEU 25 2HD2 LEU 25 0.354 2.474 2.215 184 3HD2 LEU 25 3HD2 LEU 25 0.464 2.840 0.477 185 H GLU 26 HN GLU 26 3.916 3.516 -2.697 186 HA GLU 26 HA GLU 26 2.615 5.892 -3.759 187 1HB GLU 26 2HB GLU 26 5.146 4.639 -4.909 188 2HB GLU 26 3HB GLU 26 4.295 6.022 -5.567 189 1HG GLU 26 2HG GLU 26 4.672 7.194 -3.311 190 2HG GLU 26 3HG GLU 26 5.721 5.859 -2.873 191 H MET 27 HN MET 27 2.819 5.202 -6.514 192 HA MET 27 HA MET 27 0.947 3.021 -6.526 193 1HB MET 27 2HB MET 27 0.723 3.734 -8.980 194 2HB MET 27 3HB MET 27 0.363 5.005 -7.829 195 1HG MET 27 2HG MET 27 2.137 6.283 -8.508 196 2HG MET 27 3HG MET 27 3.234 4.917 -8.517 197 1HE MET 27 1HE MET 27 3.903 3.632 -11.047 198 2HE MET 27 2HE MET 27 2.613 2.915 -10.051 199 3HE MET 27 3HE MET 27 2.375 3.121 -11.803 200 H VAL 28 HN VAL 28 1.271 0.997 -7.477 201 HA VAL 28 HA VAL 28 3.945 0.572 -8.620 202 HB VAL 28 HB VAL 28 4.225 -1.344 -7.422 203 1HG1 VAL 28 1HG1 VAL 28 4.231 0.436 -5.804 204 2HG1 VAL 28 2HG1 VAL 28 2.458 0.377 -5.654 205 3HG1 VAL 28 3HG1 VAL 28 3.447 -0.981 -5.065 206 1HG2 VAL 28 1HG2 VAL 28 1.304 -1.613 -7.723 207 2HG2 VAL 28 2HG2 VAL 28 2.581 -2.852 -7.739 208 3HG2 VAL 28 3HG2 VAL 28 1.948 -2.248 -6.191 209 HA PRO 29 HA PRO 29 1.968 -1.354 -11.954 210 1HB PRO 29 2HB PRO 29 3.381 -3.637 -12.463 211 2HB PRO 29 3HB PRO 29 3.937 -2.042 -12.930 212 1HG PRO 29 2HG PRO 29 4.877 -3.757 -10.714 213 2HG PRO 29 3HG PRO 29 5.676 -2.385 -11.455 214 1HD PRO 29 2HD PRO 29 4.317 -2.421 -8.929 215 2HD PRO 29 3HD PRO 29 5.015 -1.024 -9.723 216 H TRP 30 HN TRP 30 -0.112 -1.906 -11.853 217 HA TRP 30 HA TRP 30 -0.576 -4.594 -10.781 218 1HB TRP 30 2HB TRP 30 -1.099 -3.007 -9.003 219 2HB TRP 30 3HB TRP 30 -2.164 -2.119 -10.076 220 HD1 TRP 30 HD1 TRP 30 -4.644 -2.710 -9.555 221 HE1 TRP 30 HE1 TRP 30 -6.076 -4.792 -8.795 222 HE3 TRP 30 HE3 TRP 30 -0.735 -5.945 -9.237 223 HZ2 TRP 30 HZ2 TRP 30 -5.428 -7.497 -8.160 224 HZ3 TRP 30 HZ3 TRP 30 -1.220 -8.287 -8.539 225 HH2 TRP 30 HH2 TRP 30 -3.470 -9.081 -8.010 226 H ASP 31 HN ASP 31 -3.074 -5.117 -11.398 227 HA ASP 31 HA ASP 31 -3.646 -3.937 -13.977 228 1HB ASP 31 2HB ASP 31 -2.299 -6.256 -13.987 229 2HB ASP 31 3HB ASP 31 -3.882 -6.935 -13.662 230 H GLY 32 HN GLY 32 -5.157 -3.117 -11.986 231 1HA GLY 32 1HA GLY 32 -7.665 -4.555 -12.264 232 2HA GLY 32 2HA GLY 32 -7.001 -4.509 -10.643 233 H CYS 33 HN CYS 33 -5.681 -1.861 -10.958 234 HA CYS 33 HA CYS 33 -7.909 -0.283 -10.232 235 1HB CYS 33 2HB CYS 33 -5.155 -0.176 -9.811 236 2HB CYS 33 3HB CYS 33 -5.467 1.213 -10.833 237 HG CYS 33 HG CYS 33 -7.539 0.462 -8.402 238 H LYS 34 HN LYS 34 -8.129 2.026 -11.339 239 HA LYS 34 HA LYS 34 -8.932 1.579 -13.986 240 1HB LYS 34 2HB LYS 34 -9.447 3.446 -12.031 241 2HB LYS 34 3HB LYS 34 -8.507 4.379 -13.180 242 1HG LYS 34 2HG LYS 34 -10.271 2.852 -14.785 243 2HG LYS 34 3HG LYS 34 -11.249 3.360 -13.422 244 1HD LYS 34 2HD LYS 34 -11.461 5.137 -14.998 245 2HD LYS 34 3HD LYS 34 -10.322 5.740 -13.811 246 1HE LYS 34 2HE LYS 34 -8.633 5.865 -15.340 247 2HE LYS 34 3HE LYS 34 -8.946 4.249 -15.939 248 1HZ LYS 34 1HZ LYS 34 -9.378 6.300 -17.416 249 2HZ LYS 34 2HZ LYS 34 -10.403 5.030 -17.478 250 3HZ LYS 34 3HZ LYS 34 -10.810 6.367 -16.634 251 H ALA 35 HN ALA 35 -5.875 2.513 -12.516 252 HA ALA 35 HA ALA 35 -4.831 3.043 -15.215 253 1HB ALA 35 1HB ALA 35 -3.814 4.072 -12.535 254 2HB ALA 35 2HB ALA 35 -3.168 4.480 -14.142 255 3HB ALA 35 3HB ALA 35 -4.803 5.009 -13.680 256 H GLY 36 HN GLY 36 -5.300 0.427 -13.815 257 1HA GLY 36 1HA GLY 36 -4.179 -1.438 -13.174 258 2HA GLY 36 2HA GLY 36 -3.193 -1.042 -14.568 259 H GLN 37 HN GLN 37 -3.545 0.507 -11.295 260 HA GLN 37 HA GLN 37 -0.850 -0.284 -10.692 261 1HB GLN 37 2HB GLN 37 -0.219 2.111 -10.104 262 2HB GLN 37 3HB GLN 37 -0.344 1.774 -11.819 263 1HG GLN 37 2HG GLN 37 -1.848 3.457 -12.005 264 2HG GLN 37 3HG GLN 37 -2.966 2.531 -11.023 265 1HE2 GLN 37 1HE2 GLN 37 -3.457 3.174 -9.034 266 2HE2 GLN 37 2HE2 GLN 37 -2.751 4.512 -8.190 267 H ILE 38 HN ILE 38 -0.879 -1.008 -8.610 268 HA ILE 38 HA ILE 38 -3.077 -0.110 -6.922 269 HB ILE 38 HB ILE 38 -2.260 -2.577 -7.454 270 1HG1 ILE 38 2HG1 ILE 38 -2.994 -2.660 -4.704 271 2HG1 ILE 38 3HG1 ILE 38 -3.828 -1.295 -5.420 272 1HG2 ILE 38 1HG2 ILE 38 -0.001 -1.783 -6.257 273 2HG2 ILE 38 2HG2 ILE 38 -0.898 -2.336 -4.822 274 3HG2 ILE 38 3HG2 ILE 38 -0.607 -3.454 -6.176 275 1HD1 ILE 38 1HD1 ILE 38 -5.106 -3.457 -5.611 276 2HD1 ILE 38 2HD1 ILE 38 -4.765 -2.706 -7.188 277 3HD1 ILE 38 3HD1 ILE 38 -3.798 -4.095 -6.637 278 H ALA 39 HN ALA 39 -2.793 0.999 -4.990 279 HA ALA 39 HA ALA 39 -0.382 2.485 -4.779 280 1HB ALA 39 1HB ALA 39 -1.826 2.843 -2.422 281 2HB ALA 39 2HB ALA 39 -1.988 3.811 -3.907 282 3HB ALA 39 3HB ALA 39 -3.079 2.434 -3.619 283 H SER 40 HN SER 40 1.457 1.354 -4.256 284 HA SER 40 HA SER 40 1.587 0.344 -1.618 285 1HB SER 40 2HB SER 40 1.601 -1.563 -3.969 286 2HB SER 40 3HB SER 40 2.557 -1.934 -2.547 287 HG SER 40 HG SER 40 0.757 -2.671 -1.671 288 H SER 41 HN SER 41 3.980 -0.819 -1.437 289 HA SER 41 HA SER 41 5.741 1.219 -2.169 290 1HB SER 41 2HB SER 41 5.788 -1.238 -0.594 291 2HB SER 41 3HB SER 41 7.262 -1.094 -1.532 292 HG SER 41 HG SER 41 7.458 1.130 -0.659 293 HA PRO 42 HA PRO 42 6.615 -0.342 -6.183 294 1HB PRO 42 2HB PRO 42 8.245 1.690 -7.010 295 2HB PRO 42 3HB PRO 42 6.497 1.756 -7.126 296 1HG PRO 42 2HG PRO 42 8.281 3.130 -5.210 297 2HG PRO 42 3HG PRO 42 6.617 3.498 -5.620 298 1HD PRO 42 2HD PRO 42 7.552 2.176 -3.251 299 2HD PRO 42 3HD PRO 42 5.882 2.440 -3.714 300 H ARG 43 HN ARG 43 9.307 1.031 -4.353 301 HA ARG 43 HA ARG 43 10.679 -1.455 -4.899 302 1HB ARG 43 2HB ARG 43 11.996 1.287 -5.233 303 2HB ARG 43 3HB ARG 43 12.771 -0.264 -5.487 304 1HG ARG 43 2HG ARG 43 10.432 -0.339 -7.098 305 2HG ARG 43 3HG ARG 43 11.081 1.274 -7.316 306 1HD ARG 43 2HD ARG 43 12.400 0.236 -8.894 307 2HD ARG 43 3HD ARG 43 13.402 -0.145 -7.509 308 HE ARG 43 HE ARG 43 11.486 -2.200 -7.627 309 1HH1 ARG 43 1HH1 ARG 43 13.075 -4.326 -9.891 310 2HH1 ARG 43 2HH1 ARG 43 11.872 -4.205 -8.653 311 1HH2 ARG 43 1HH2 ARG 43 14.297 -2.452 -10.510 312 2HH2 ARG 43 2HH2 ARG 43 14.004 -0.932 -9.732 313 H THR 44 HN THR 44 9.340 0.346 -2.629 314 HA THR 44 HA THR 44 9.772 0.987 -0.522 315 HB THR 44 HB THR 44 11.243 -1.690 -0.746 316 HG1 THR 44 1HG THR 44 8.587 -0.662 -0.054 317 1HG2 THR 44 1HG2 THR 44 10.915 0.134 1.533 318 2HG2 THR 44 2HG2 THR 44 10.022 -1.383 1.797 319 3HG2 THR 44 3HG2 THR 44 11.771 -1.425 1.466 320 H GLU 45 HN GLU 45 11.749 1.892 -2.664 321 HA GLU 45 HA GLU 45 14.297 1.871 -1.801 322 1HB GLU 45 2HB GLU 45 14.531 4.084 -2.957 323 2HB GLU 45 3HB GLU 45 13.655 2.901 -3.907 324 1HG GLU 45 2HG GLU 45 11.546 3.934 -3.492 325 2HG GLU 45 3HG GLU 45 12.143 4.811 -2.098 326 H ASP 46 HN ASP 46 11.524 3.580 -0.401 327 HA ASP 46 HA ASP 46 13.355 4.911 1.428 328 1HB ASP 46 2HB ASP 46 10.885 5.691 0.110 329 2HB ASP 46 3HB ASP 46 10.636 5.740 1.845 330 H CYS 47 HN CYS 47 11.465 5.358 3.552 331 HA CYS 47 HA CYS 47 10.360 4.410 5.217 332 1HB CYS 47 2HB CYS 47 9.091 3.091 3.496 333 2HB CYS 47 3HB CYS 47 10.274 1.808 3.657 334 H VAL 48 HN VAL 48 11.413 3.894 7.120 335 HA VAL 48 HA VAL 48 13.781 2.171 6.863 336 HB VAL 48 HB VAL 48 14.424 4.431 7.314 337 1HG1 VAL 48 1HG1 VAL 48 13.510 5.203 9.777 338 2HG1 VAL 48 2HG1 VAL 48 12.830 5.741 8.223 339 3HG1 VAL 48 3HG1 VAL 48 12.078 4.389 9.103 340 1HG2 VAL 48 1HG2 VAL 48 14.954 2.255 9.077 341 2HG2 VAL 48 2HG2 VAL 48 15.995 3.644 8.683 342 3HG2 VAL 48 3HG2 VAL 48 14.866 3.739 10.056 343 H GLY 49 HN GLY 49 10.797 2.994 8.631 344 1HA GLY 49 1HA GLY 49 9.888 0.708 9.446 345 2HA GLY 49 2HA GLY 49 11.276 0.787 10.513 346 H CYS 50 HN CYS 50 8.658 3.040 9.348 347 HA CYS 50 HA CYS 50 8.468 3.982 12.113 348 1HB CYS 50 2HB CYS 50 8.287 6.079 11.352 349 2HB CYS 50 3HB CYS 50 8.850 5.462 9.812 350 H LYS 51 HN LYS 51 6.407 3.942 13.135 351 HA LYS 51 HA LYS 51 4.507 2.165 11.861 352 1HB LYS 51 2HB LYS 51 5.394 2.112 14.331 353 2HB LYS 51 3HB LYS 51 4.183 3.348 14.606 354 1HG LYS 51 2HG LYS 51 2.720 1.519 13.146 355 2HG LYS 51 3HG LYS 51 3.828 0.451 13.987 356 1HD LYS 51 2HD LYS 51 2.391 2.632 15.529 357 2HD LYS 51 3HD LYS 51 1.543 1.150 15.134 358 1HE LYS 51 2HE LYS 51 2.631 0.001 16.767 359 2HE LYS 51 3HE LYS 51 4.197 0.516 16.171 360 1HZ LYS 51 1HZ LYS 51 3.795 1.327 18.379 361 2HZ LYS 51 2HZ LYS 51 3.891 2.591 17.349 362 3HZ LYS 51 3HZ LYS 51 2.437 2.103 17.909 363 H ARG 52 HN ARG 52 3.695 3.489 10.157 364 HA ARG 52 HA ARG 52 1.612 5.182 11.064 365 1HB ARG 52 2HB ARG 52 3.979 6.513 10.714 366 2HB ARG 52 3HB ARG 52 3.375 6.577 9.071 367 1HG ARG 52 2HG ARG 52 2.156 8.382 9.732 368 2HG ARG 52 3HG ARG 52 1.108 7.241 10.551 369 1HD ARG 52 2HD ARG 52 3.614 8.169 11.970 370 2HD ARG 52 3HD ARG 52 2.248 9.263 11.885 371 HE ARG 52 HE ARG 52 1.553 6.542 12.763 372 1HH1 ARG 52 1HH1 ARG 52 0.924 7.597 16.030 373 2HH1 ARG 52 2HH1 ARG 52 0.762 6.299 14.894 374 1HH2 ARG 52 1HH2 ARG 52 1.944 9.580 15.389 375 2HH2 ARG 52 2HH2 ARG 52 2.543 9.764 13.774 376 H CYS 53 HN CYS 53 0.912 3.025 9.878 377 HA CYS 53 HA CYS 53 -0.226 3.700 7.469 378 1HB CYS 53 2HB CYS 53 1.074 2.163 5.921 379 2HB CYS 53 3HB CYS 53 1.836 3.690 6.317 380 H GLU 54 HN GLU 54 -1.176 2.609 9.795 381 HA GLU 54 HA GLU 54 -1.247 -0.257 9.369 382 1HB GLU 54 2HB GLU 54 -2.237 -0.363 11.631 383 2HB GLU 54 3HB GLU 54 -0.727 0.525 11.650 384 1HG GLU 54 2HG GLU 54 -1.743 2.500 12.226 385 2HG GLU 54 3HG GLU 54 -3.089 2.244 11.133 386 H THR 55 HN THR 55 -2.530 0.587 7.287 387 HA THR 55 HA THR 55 -5.235 -0.129 7.716 388 HB THR 55 HB THR 55 -5.214 2.269 8.576 389 HG1 THR 55 1HG THR 55 -6.619 1.086 6.404 390 1HG2 THR 55 1HG2 THR 55 -4.535 2.798 5.636 391 2HG2 THR 55 2HG2 THR 55 -5.193 4.027 6.742 392 3HG2 THR 55 3HG2 THR 55 -3.588 3.320 7.050 393 H ALA 56 HN ALA 56 -2.936 -1.005 6.177 394 HA ALA 56 HA ALA 56 -2.766 -0.191 3.615 395 1HB ALA 56 1HB ALA 56 -1.722 -2.208 4.976 396 2HB ALA 56 2HB ALA 56 -3.016 -3.137 4.182 397 3HB ALA 56 3HB ALA 56 -1.812 -2.269 3.200 398 H CYS 57 HN CYS 57 -5.329 -2.308 5.043 399 HA CYS 57 HA CYS 57 -7.285 -1.307 3.337 400 1HB CYS 57 2HB CYS 57 -5.679 -3.277 2.060 401 2HB CYS 57 3HB CYS 57 -7.212 -4.041 2.431 402 HA PRO 58 HA PRO 58 -9.627 -3.538 6.259 403 1HB PRO 58 2HB PRO 58 -11.909 -4.284 4.952 404 2HB PRO 58 3HB PRO 58 -11.632 -2.658 5.546 405 1HG PRO 58 2HG PRO 58 -11.516 -3.661 2.768 406 2HG PRO 58 3HG PRO 58 -11.665 -2.010 3.333 407 1HD PRO 58 2HD PRO 58 -9.299 -3.264 2.307 408 2HD PRO 58 3HD PRO 58 -9.423 -1.651 2.980 409 H THR 59 HN THR 59 -10.579 -5.507 3.499 410 HA THR 59 HA THR 59 -9.085 -7.727 4.668 411 HB THR 59 HB THR 59 -11.107 -9.150 4.648 412 HG1 THR 59 1HG THR 59 -12.946 -8.308 3.658 413 1HG2 THR 59 1HG2 THR 59 -11.999 -6.518 5.905 414 2HG2 THR 59 2HG2 THR 59 -12.374 -8.174 6.441 415 3HG2 THR 59 3HG2 THR 59 -10.733 -7.519 6.656 416 H ASP 60 HN ASP 60 -10.483 -9.624 2.862 417 HA ASP 60 HA ASP 60 -10.582 -10.207 0.736 418 1HB ASP 60 2HB ASP 60 -10.572 -7.502 0.353 419 2HB ASP 60 3HB ASP 60 -9.010 -7.887 -0.340 420 H PHE 61 HN PHE 61 -7.636 -8.329 1.726 421 HA PHE 61 HA PHE 61 -6.012 -10.565 0.730 422 1HB PHE 61 2HB PHE 61 -5.523 -7.536 0.948 423 2HB PHE 61 3HB PHE 61 -4.243 -8.667 0.555 424 HD1 PHE 61 1HD PHE 61 -4.178 -9.770 -1.616 425 HD2 PHE 61 2HD PHE 61 -7.258 -7.008 -0.669 426 HE1 PHE 61 1HE PHE 61 -4.784 -9.612 -4.046 427 HE2 PHE 61 2HE PHE 61 -7.864 -6.851 -3.100 428 HZ PHE 61 HZ PHE 61 -6.620 -8.154 -4.759 429 H LEU 62 HN LEU 62 -6.146 -7.837 3.128 430 HA LEU 62 HA LEU 62 -4.076 -8.494 4.721 431 1HB LEU 62 2HB LEU 62 -6.402 -6.903 4.873 432 2HB LEU 62 3HB LEU 62 -6.344 -7.829 6.360 433 HG LEU 62 HG LEU 62 -3.769 -6.983 6.242 434 1HD1 LEU 62 1HD1 LEU 62 -4.539 -4.357 5.687 435 2HD1 LEU 62 2HD1 LEU 62 -3.475 -5.398 4.711 436 3HD1 LEU 62 3HD1 LEU 62 -5.217 -5.324 4.355 437 1HD2 LEU 62 1HD2 LEU 62 -4.641 -6.552 8.266 438 2HD2 LEU 62 2HD2 LEU 62 -4.890 -4.917 7.608 439 3HD2 LEU 62 3HD2 LEU 62 -6.228 -6.091 7.606 440 H SER 63 HN SER 63 -3.533 -10.650 4.985 441 HA SER 63 HA SER 63 -4.742 -11.992 7.055 442 1HB SER 63 2HB SER 63 -6.573 -12.301 5.308 443 2HB SER 63 3HB SER 63 -5.436 -13.239 4.361 444 HG SER 63 HG SER 63 -5.232 -14.715 6.192 445 H ILE 64 HN ILE 64 -2.986 -12.191 3.924 446 HA ILE 64 HA ILE 64 -1.578 -14.513 4.325 447 HB ILE 64 HB ILE 64 -0.689 -11.966 2.968 448 1HG1 ILE 64 2HG1 ILE 64 -1.652 -14.185 1.310 449 2HG1 ILE 64 3HG1 ILE 64 -2.887 -13.546 2.377 450 1HG2 ILE 64 1HG2 ILE 64 0.730 -13.514 1.609 451 2HG2 ILE 64 2HG2 ILE 64 1.228 -13.353 3.310 452 3HG2 ILE 64 3HG2 ILE 64 0.346 -14.803 2.774 453 1HD1 ILE 64 1HD1 ILE 64 -3.159 -11.810 0.953 454 2HD1 ILE 64 2HD1 ILE 64 -1.507 -11.275 1.345 455 3HD1 ILE 64 3HD1 ILE 64 -1.785 -12.367 -0.033 456 H ARG 65 HN ARG 65 0.001 -11.280 4.738 457 HA ARG 65 HA ARG 65 1.256 -12.433 7.101 458 1HB ARG 65 2HB ARG 65 2.393 -10.530 4.998 459 2HB ARG 65 3HB ARG 65 3.187 -10.811 6.535 460 1HG ARG 65 2HG ARG 65 2.763 -13.405 5.739 461 2HG ARG 65 3HG ARG 65 2.917 -12.630 4.175 462 1HD ARG 65 2HD ARG 65 5.150 -12.056 4.513 463 2HD ARG 65 3HD ARG 65 4.954 -11.858 6.243 464 HE ARG 65 HE ARG 65 5.553 -14.363 4.821 465 1HH1 ARG 65 1HH1 ARG 65 5.751 -16.175 7.797 466 2HH1 ARG 65 2HH1 ARG 65 6.066 -16.191 6.093 467 1HH2 ARG 65 1HH2 ARG 65 4.810 -14.298 8.786 468 2HH2 ARG 65 2HH2 ARG 65 4.422 -12.913 7.821 469 H VAL 66 HN VAL 66 1.902 -10.776 8.792 470 HA VAL 66 HA VAL 66 0.741 -8.165 8.573 471 HB VAL 66 HB VAL 66 -0.447 -10.251 10.408 472 1HG1 VAL 66 1HG1 VAL 66 -0.889 -8.667 11.912 473 2HG1 VAL 66 2HG1 VAL 66 -0.050 -7.458 10.911 474 3HG1 VAL 66 3HG1 VAL 66 -1.789 -7.755 10.676 475 1HG2 VAL 66 1HG2 VAL 66 -2.589 -9.388 9.337 476 2HG2 VAL 66 2HG2 VAL 66 -1.550 -8.563 8.150 477 3HG2 VAL 66 3HG2 VAL 66 -1.508 -10.337 8.287 478 H TYR 67 HN TYR 67 2.048 -6.781 9.670 479 HA TYR 67 HA TYR 67 3.807 -7.991 11.697 480 1HB TYR 67 2HB TYR 67 4.080 -5.619 9.747 481 2HB TYR 67 3HB TYR 67 5.293 -6.010 10.950 482 HD1 TYR 67 HD1 TYR 67 3.404 -7.754 8.206 483 HD2 TYR 67 HD2 TYR 67 7.135 -7.215 10.228 484 HE1 TYR 67 HE1 TYR 67 4.530 -9.335 6.564 485 HE2 TYR 67 HE2 TYR 67 8.248 -8.798 8.579 486 HH TYR 67 HH TYR 67 7.768 -9.498 6.153 487 H LEU 68 HN LEU 68 2.251 -4.862 10.684 488 HA LEU 68 HA LEU 68 2.665 -3.365 12.861 489 1HB LEU 68 2HB LEU 68 0.778 -3.468 10.716 490 2HB LEU 68 3HB LEU 68 -0.074 -3.037 12.185 491 HG LEU 68 HG LEU 68 0.519 -0.982 11.292 492 1HD1 LEU 68 1HD1 LEU 68 3.011 -0.997 12.831 493 2HD1 LEU 68 2HD1 LEU 68 1.515 -0.061 13.065 494 3HD1 LEU 68 3HD1 LEU 68 1.635 -1.721 13.695 495 1HD2 LEU 68 1HD2 LEU 68 1.873 -1.312 9.482 496 2HD2 LEU 68 2HD2 LEU 68 3.053 -0.619 10.620 497 3HD2 LEU 68 3HD2 LEU 68 2.991 -2.379 10.365 498 H GLY 69 HN GLY 69 2.777 -4.168 14.917 499 1HA GLY 69 1HA GLY 69 1.885 -4.712 16.934 500 2HA GLY 69 2HA GLY 69 0.298 -4.852 16.205 501 H ALA 70 HN ALA 70 3.508 -6.525 15.785 502 HA ALA 70 HA ALA 70 2.492 -8.981 16.763 503 1HB ALA 70 1HB ALA 70 3.200 -9.489 13.977 504 2HB ALA 70 2HB ALA 70 1.766 -10.006 14.895 505 3HB ALA 70 3HB ALA 70 1.789 -8.411 14.107 506 H GLU 71 HN GLU 71 4.863 -7.247 14.666 507 HA GLU 71 HA GLU 71 6.914 -8.954 14.692 508 1HB GLU 71 2HB GLU 71 6.596 -6.035 14.530 509 2HB GLU 71 3HB GLU 71 8.156 -6.484 15.190 510 1HG GLU 71 2HG GLU 71 8.644 -7.901 13.252 511 2HG GLU 71 3HG GLU 71 7.017 -7.701 12.633 512 H THR 72 HN THR 72 5.868 -6.806 17.386 513 HA THR 72 HA THR 72 6.711 -6.550 19.465 514 HB THR 72 HB THR 72 6.589 -8.819 20.675 515 HG1 THR 72 1HG THR 72 5.736 -10.458 18.989 516 1HG2 THR 72 1HG2 THR 72 4.354 -8.303 18.643 517 2HG2 THR 72 2HG2 THR 72 4.211 -9.249 20.144 518 3HG2 THR 72 3HG2 THR 72 4.484 -7.492 20.223 519 H THR 73 HN THR 73 8.801 -6.049 17.842 520 HA THR 73 HA THR 73 10.999 -7.798 18.439 521 HB THR 73 HB THR 73 10.760 -6.518 16.294 522 HG1 THR 73 1HG THR 73 13.004 -5.623 16.535 523 1HG2 THR 73 1HG2 THR 73 11.448 -4.069 17.990 524 2HG2 THR 73 2HG2 THR 73 11.114 -4.116 16.242 525 3HG2 THR 73 3HG2 THR 73 9.798 -4.395 17.408 526 H ARG 74 HN ARG 74 9.578 -4.838 19.807 527 HA ARG 74 HA ARG 74 11.878 -4.484 21.473 528 1HB ARG 74 2HB ARG 74 10.672 -2.502 22.326 529 2HB ARG 74 3HB ARG 74 10.626 -2.516 20.575 530 1HG ARG 74 2HG ARG 74 8.361 -3.985 21.785 531 2HG ARG 74 3HG ARG 74 8.409 -2.302 22.271 532 1HD ARG 74 2HD ARG 74 8.868 -2.848 19.355 533 2HD ARG 74 3HD ARG 74 7.248 -3.149 19.951 534 HE ARG 74 HE ARG 74 8.395 -0.560 20.771 535 1HH1 ARG 74 1HH1 ARG 74 6.158 1.212 18.763 536 2HH1 ARG 74 2HH1 ARG 74 7.341 1.324 20.023 537 1HH2 ARG 74 1HH2 ARG 74 5.643 -0.852 17.836 538 2HH2 ARG 74 2HH2 ARG 74 6.441 -2.281 18.403 539 H SER 75 HN SER 75 8.863 -6.210 21.487 540 HA SER 75 HA SER 75 9.060 -6.490 24.384 541 1HB SER 75 2HB SER 75 6.883 -5.585 23.045 542 2HB SER 75 3HB SER 75 6.558 -7.304 22.940 543 HG SER 75 HG SER 75 7.299 -6.887 25.476 544 H MET 76 HN MET 76 10.191 -7.916 21.733 545 HA MET 76 HA MET 76 9.275 -10.327 21.291 546 1HB MET 76 2HB MET 76 11.955 -9.087 21.465 547 2HB MET 76 3HB MET 76 12.036 -10.813 21.754 548 1HG MET 76 2HG MET 76 10.250 -10.335 19.516 549 2HG MET 76 3HG MET 76 11.742 -9.461 19.237 550 1HE MET 76 1HE MET 76 13.501 -10.086 18.488 551 2HE MET 76 2HE MET 76 14.443 -11.528 18.937 552 3HE MET 76 3HE MET 76 13.484 -11.523 17.437 553 H GLY 77 HN GLY 77 11.501 -9.640 24.093 554 1HA GLY 77 1HA GLY 77 10.060 -11.225 25.914 555 2HA GLY 77 2HA GLY 77 11.347 -12.195 25.227 556 H LEU 78 HN LEU 78 13.286 -10.067 24.774 557 HA LEU 78 HA LEU 78 13.928 -9.470 27.576 558 1HB LEU 78 2HB LEU 78 15.622 -10.840 26.955 559 2HB LEU 78 3HB LEU 78 15.517 -10.411 25.259 560 HG LEU 78 HG LEU 78 17.625 -9.729 26.499 561 1HD1 LEU 78 1HD1 LEU 78 16.346 -7.297 25.304 562 2HD1 LEU 78 2HD1 LEU 78 17.982 -7.960 25.075 563 3HD1 LEU 78 3HD1 LEU 78 16.586 -8.747 24.301 564 1HD2 LEU 78 1HD2 LEU 78 16.438 -7.235 27.463 565 2HD2 LEU 78 2HD2 LEU 78 15.869 -8.674 28.345 566 3HD2 LEU 78 3HD2 LEU 78 17.612 -8.328 28.235 567 H ALA 79 HN ALA 79 14.085 -8.229 24.179 568 HA ALA 79 HA ALA 79 15.082 -5.765 24.556 569 1HB ALA 79 1HB ALA 79 14.301 -5.410 22.455 570 2HB ALA 79 2HB ALA 79 13.768 -7.106 22.546 571 3HB ALA 79 3HB ALA 79 12.623 -5.792 22.910 572 H TYR 80 HN TYR 80 11.945 -7.011 25.672 573 HA TYR 80 HA TYR 80 10.784 -4.499 26.225 574 1HB TYR 80 2HB TYR 80 9.078 -5.932 27.039 575 2HB TYR 80 3HB TYR 80 9.976 -7.097 26.087 576 HD1 TYR 80 HD1 TYR 80 12.195 -7.966 27.597 577 HD2 TYR 80 HD2 TYR 80 8.346 -6.797 29.053 578 HE1 TYR 80 HE1 TYR 80 12.542 -9.387 29.675 579 HE2 TYR 80 HE2 TYR 80 8.706 -8.223 31.127 580 HH TYR 80 HH TYR 80 11.688 -9.370 32.029 Start of MODEL 3 1 H SER 1 HN SER 1 -4.796 -7.702 8.880 2 HA SER 1 HA SER 1 -6.471 -5.929 7.965 3 1HB SER 1 2HB SER 1 -6.914 -6.139 10.898 4 2HB SER 1 3HB SER 1 -6.700 -4.498 10.319 5 HG SER 1 HG SER 1 -8.863 -6.192 10.021 6 H HIS 2 HN HIS 2 -4.000 -6.357 10.550 7 HA HIS 2 HA HIS 2 -2.764 -3.854 10.029 8 1HB HIS 2 2HB HIS 2 -1.664 -6.267 11.495 9 2HB HIS 2 3HB HIS 2 -1.058 -4.625 11.582 10 HD1 HIS 2 HD1 HIS 2 -4.244 -6.574 12.425 11 HD2 HIS 2 HD2 HIS 2 -2.184 -3.106 13.574 12 HE1 HIS 2 HE1 HIS 2 -5.485 -5.645 14.452 13 H SER 3 HN SER 3 -0.001 -4.564 9.944 14 HA SER 3 HA SER 3 1.598 -5.023 8.551 15 1HB SER 3 2HB SER 3 1.253 -7.335 8.572 16 2HB SER 3 3HB SER 3 -0.341 -7.217 7.855 17 HG SER 3 HG SER 3 1.923 -6.409 6.300 18 H VAL 4 HN VAL 4 2.372 -4.469 6.379 19 HA VAL 4 HA VAL 4 0.293 -3.540 4.548 20 HB VAL 4 HB VAL 4 1.570 -1.455 4.196 21 1HG1 VAL 4 1HG1 VAL 4 0.038 -0.581 5.557 22 2HG1 VAL 4 2HG1 VAL 4 -0.120 -2.138 6.403 23 3HG1 VAL 4 3HG1 VAL 4 1.077 -0.943 6.956 24 1HG2 VAL 4 1HG2 VAL 4 2.980 -1.604 6.780 25 2HG2 VAL 4 2HG2 VAL 4 3.617 -2.702 5.532 26 3HG2 VAL 4 3HG2 VAL 4 3.517 -0.954 5.211 27 H LYS 5 HN LYS 5 1.664 -5.976 4.375 28 HA LYS 5 HA LYS 5 4.083 -5.845 3.009 29 1HB LYS 5 2HB LYS 5 2.555 -7.824 4.057 30 2HB LYS 5 3HB LYS 5 2.213 -8.056 2.355 31 1HG LYS 5 2HG LYS 5 5.002 -7.612 2.443 32 2HG LYS 5 3HG LYS 5 4.684 -8.609 3.849 33 1HD LYS 5 2HD LYS 5 5.031 -10.199 2.128 34 2HD LYS 5 3HD LYS 5 3.285 -10.119 2.252 35 1HE LYS 5 2HE LYS 5 3.055 -9.234 0.153 36 2HE LYS 5 3HE LYS 5 4.368 -8.097 0.388 37 1HZ LYS 5 1HZ LYS 5 5.478 -10.620 0.272 38 2HZ LYS 5 2HZ LYS 5 4.420 -10.522 -0.968 39 3HZ LYS 5 3HZ LYS 5 5.614 -9.417 -0.825 40 H ILE 6 HN ILE 6 4.548 -6.176 0.713 41 HA ILE 6 HA ILE 6 3.013 -4.436 -0.887 42 HB ILE 6 HB ILE 6 5.305 -6.311 -1.415 43 1HG1 ILE 6 2HG1 ILE 6 6.030 -3.696 -2.007 44 2HG1 ILE 6 3HG1 ILE 6 4.995 -3.515 -0.604 45 1HG2 ILE 6 1HG2 ILE 6 4.385 -6.367 -3.520 46 2HG2 ILE 6 2HG2 ILE 6 3.645 -4.757 -3.364 47 3HG2 ILE 6 3HG2 ILE 6 5.398 -4.908 -3.631 48 1HD1 ILE 6 1HD1 ILE 6 6.521 -5.719 0.113 49 2HD1 ILE 6 2HD1 ILE 6 7.681 -4.738 -0.816 50 3HD1 ILE 6 3HD1 ILE 6 6.859 -4.041 0.601 51 H TYR 7 HN TYR 7 1.055 -4.850 -1.746 52 HA TYR 7 HA TYR 7 0.646 -7.316 -3.158 53 1HB TYR 7 2HB TYR 7 -0.654 -6.529 -0.502 54 2HB TYR 7 3HB TYR 7 -1.586 -7.476 -1.647 55 HD1 TYR 7 HD1 TYR 7 0.107 -7.840 1.246 56 HD2 TYR 7 HD2 TYR 7 0.168 -9.458 -2.714 57 HE1 TYR 7 HE1 TYR 7 1.185 -9.970 2.124 58 HE2 TYR 7 HE2 TYR 7 1.245 -11.581 -1.823 59 HH TYR 7 HH TYR 7 2.508 -11.764 1.354 60 H ASP 8 HN ASP 8 -1.704 -7.335 -4.081 61 HA ASP 8 HA ASP 8 -2.110 -4.698 -5.118 62 1HB ASP 8 2HB ASP 8 -3.700 -5.811 -6.651 63 2HB ASP 8 3HB ASP 8 -2.163 -6.653 -6.630 64 H THR 9 HN THR 9 -2.705 -4.838 -2.340 65 HA THR 9 HA THR 9 -5.548 -5.306 -2.045 66 HB THR 9 HB THR 9 -3.865 -5.964 -0.297 67 HG1 THR 9 1HG THR 9 -5.630 -5.463 0.937 68 1HG2 THR 9 1HG2 THR 9 -3.571 -3.304 0.858 69 2HG2 THR 9 2HG2 THR 9 -2.301 -4.492 0.479 70 3HG2 THR 9 3HG2 THR 9 -2.835 -3.335 -0.763 71 H CYS 10 HN CYS 10 -6.642 -3.835 -3.328 72 HA CYS 10 HA CYS 10 -6.845 -1.243 -2.175 73 1HB CYS 10 2HB CYS 10 -4.813 -1.107 -3.758 74 2HB CYS 10 3HB CYS 10 -5.968 -1.255 -5.068 75 H ILE 11 HN ILE 11 -8.962 -0.525 -2.515 76 HA ILE 11 HA ILE 11 -10.509 -2.076 -4.473 77 HB ILE 11 HB ILE 11 -12.354 -2.023 -3.051 78 1HG1 ILE 11 2HG1 ILE 11 -12.161 0.371 -2.415 79 2HG1 ILE 11 3HG1 ILE 11 -12.610 -0.677 -1.084 80 1HG2 ILE 11 1HG2 ILE 11 -11.092 -2.602 -0.705 81 2HG2 ILE 11 2HG2 ILE 11 -11.283 -3.731 -2.068 82 3HG2 ILE 11 3HG2 ILE 11 -9.770 -2.812 -1.879 83 1HD1 ILE 11 1HD1 ILE 11 -9.931 -0.769 -0.745 84 2HD1 ILE 11 2HD1 ILE 11 -10.049 0.814 -1.550 85 3HD1 ILE 11 3HD1 ILE 11 -10.933 0.520 -0.034 86 H GLY 12 HN GLY 12 -9.168 0.966 -3.664 87 1HA GLY 12 1HA GLY 12 -9.327 2.634 -5.405 88 2HA GLY 12 2HA GLY 12 -11.041 2.289 -5.533 89 H CYS 13 HN CYS 13 -9.136 2.541 -2.481 90 HA CYS 13 HA CYS 13 -10.844 4.815 -1.788 91 1HB CYS 13 2HB CYS 13 -11.225 3.861 0.194 92 2HB CYS 13 3HB CYS 13 -10.462 2.410 -0.425 93 H THR 14 HN THR 14 -9.656 6.353 -0.140 94 HA THR 14 HA THR 14 -6.902 6.719 -1.119 95 HB THR 14 HB THR 14 -8.627 8.468 -1.746 96 HG1 THR 14 1HG THR 14 -7.108 10.087 -1.112 97 1HG2 THR 14 1HG2 THR 14 -10.017 9.360 -0.169 98 2HG2 THR 14 2HG2 THR 14 -9.362 8.209 1.020 99 3HG2 THR 14 3HG2 THR 14 -8.614 9.812 0.829 100 H GLN 15 HN GLN 15 -6.760 4.861 0.675 101 HA GLN 15 HA GLN 15 -5.900 6.322 3.029 102 1HB GLN 15 2HB GLN 15 -7.158 5.122 4.523 103 2HB GLN 15 3HB GLN 15 -8.229 4.941 3.148 104 1HG GLN 15 2HG GLN 15 -7.111 2.774 2.567 105 2HG GLN 15 3HG GLN 15 -6.051 2.954 3.950 106 1HE2 GLN 15 1HE2 GLN 15 -7.098 0.789 4.306 107 2HE2 GLN 15 2HE2 GLN 15 -8.530 0.734 5.280 108 H CYS 16 HN CYS 16 -4.024 5.447 4.049 109 HA CYS 16 HA CYS 16 -2.375 3.954 4.380 110 1HB CYS 16 2HB CYS 16 -2.359 1.845 3.548 111 2HB CYS 16 3HB CYS 16 -4.014 2.235 3.121 112 H VAL 17 HN VAL 17 -3.262 5.307 1.200 113 HA VAL 17 HA VAL 17 -0.478 5.505 0.411 114 HB VAL 17 HB VAL 17 -2.871 6.605 -1.044 115 1HG1 VAL 17 1HG1 VAL 17 -0.072 6.439 -1.576 116 2HG1 VAL 17 2HG1 VAL 17 -0.915 5.365 -2.719 117 3HG1 VAL 17 3HG1 VAL 17 -1.366 7.083 -2.616 118 1HG2 VAL 17 1HG2 VAL 17 -1.925 3.730 -0.926 119 2HG2 VAL 17 2HG2 VAL 17 -3.550 4.370 -0.582 120 3HG2 VAL 17 3HG2 VAL 17 -2.926 4.374 -2.249 121 H ARG 18 HN ARG 18 -1.935 6.972 2.778 122 HA ARG 18 HA ARG 18 -0.847 9.552 2.018 123 1HB ARG 18 2HB ARG 18 -3.630 8.938 2.688 124 2HB ARG 18 3HB ARG 18 -2.970 10.061 3.860 125 1HG ARG 18 2HG ARG 18 -3.857 11.425 2.098 126 2HG ARG 18 3HG ARG 18 -2.117 11.464 1.888 127 1HD ARG 18 2HD ARG 18 -2.830 9.230 0.379 128 2HD ARG 18 3HD ARG 18 -4.200 10.292 0.126 129 HE ARG 18 HE ARG 18 -1.720 11.760 -0.146 130 1HH1 ARG 18 1HH1 ARG 18 -1.689 11.645 -3.633 131 2HH1 ARG 18 2HH1 ARG 18 -1.027 12.406 -2.225 132 1HH2 ARG 18 1HH2 ARG 18 -3.280 9.971 -3.409 133 2HH2 ARG 18 2HH2 ARG 18 -3.806 9.482 -1.832 134 H ALA 19 HN ALA 19 -2.081 7.407 4.671 135 HA ALA 19 HA ALA 19 -1.200 8.637 6.880 136 1HB ALA 19 1HB ALA 19 -2.276 6.273 6.430 137 2HB ALA 19 2HB ALA 19 -0.590 5.707 6.512 138 3HB ALA 19 3HB ALA 19 -1.317 6.545 7.905 139 H CYS 20 HN CYS 20 0.833 6.530 4.730 140 HA CYS 20 HA CYS 20 3.161 6.562 6.025 141 1HB CYS 20 2HB CYS 20 2.707 5.506 3.799 142 2HB CYS 20 3HB CYS 20 2.906 7.074 3.043 143 HA PRO 21 HA PRO 21 3.940 10.886 6.360 144 1HB PRO 21 2HB PRO 21 6.096 10.722 8.032 145 2HB PRO 21 3HB PRO 21 4.439 10.727 8.602 146 1HG PRO 21 2HG PRO 21 6.327 8.460 8.409 147 2HG PRO 21 3HG PRO 21 4.852 8.583 9.347 148 1HD PRO 21 2HD PRO 21 5.205 7.153 6.887 149 2HD PRO 21 3HD PRO 21 3.706 7.373 7.764 150 H LEU 22 HN LEU 22 6.324 8.513 5.478 151 HA LEU 22 HA LEU 22 8.039 10.532 4.359 152 1HB LEU 22 2HB LEU 22 8.124 7.514 4.308 153 2HB LEU 22 3HB LEU 22 9.349 8.551 3.605 154 HG LEU 22 HG LEU 22 9.625 9.564 5.945 155 1HD1 LEU 22 1HD1 LEU 22 9.012 7.586 7.653 156 2HD1 LEU 22 2HD1 LEU 22 7.931 8.960 7.317 157 3HD1 LEU 22 3HD1 LEU 22 7.669 7.401 6.499 158 1HD2 LEU 22 1HD2 LEU 22 10.392 6.652 5.815 159 2HD2 LEU 22 2HD2 LEU 22 11.122 7.864 4.735 160 3HD2 LEU 22 3HD2 LEU 22 11.293 8.025 6.499 161 H ASP 23 HN ASP 23 7.663 7.672 2.416 162 HA ASP 23 HA ASP 23 5.602 8.441 0.780 163 1HB ASP 23 2HB ASP 23 7.297 10.368 0.360 164 2HB ASP 23 3HB ASP 23 8.295 9.173 -0.443 165 H VAL 24 HN VAL 24 5.909 5.997 1.485 166 HA VAL 24 HA VAL 24 7.746 4.640 -0.353 167 HB VAL 24 HB VAL 24 7.742 4.352 2.229 168 1HG1 VAL 24 1HG1 VAL 24 5.314 3.977 2.448 169 2HG1 VAL 24 2HG1 VAL 24 5.460 2.494 1.474 170 3HG1 VAL 24 3HG1 VAL 24 6.257 2.598 3.063 171 1HG2 VAL 24 1HG2 VAL 24 9.173 3.016 0.885 172 2HG2 VAL 24 2HG2 VAL 24 8.279 1.884 1.928 173 3HG2 VAL 24 3HG2 VAL 24 7.807 2.084 0.223 174 H LEU 25 HN LEU 25 4.355 4.688 0.902 175 HA LEU 25 HA LEU 25 3.486 2.718 -0.949 176 1HB LEU 25 2HB LEU 25 2.183 4.580 1.000 177 2HB LEU 25 3HB LEU 25 1.201 3.755 -0.194 178 HG LEU 25 HG LEU 25 2.872 1.780 0.977 179 1HD1 LEU 25 1HD1 LEU 25 2.018 3.874 2.895 180 2HD1 LEU 25 2HD1 LEU 25 1.727 2.187 3.380 181 3HD1 LEU 25 3HD1 LEU 25 3.373 2.723 2.968 182 1HD2 LEU 25 1HD2 LEU 25 0.422 1.802 0.050 183 2HD2 LEU 25 2HD2 LEU 25 0.894 0.657 1.328 184 3HD2 LEU 25 3HD2 LEU 25 -0.005 2.136 1.746 185 H GLU 26 HN GLU 26 4.044 3.283 -3.062 186 HA GLU 26 HA GLU 26 2.800 5.757 -3.981 187 1HB GLU 26 2HB GLU 26 5.153 4.319 -5.276 188 2HB GLU 26 3HB GLU 26 4.521 5.896 -5.705 189 1HG GLU 26 2HG GLU 26 5.040 6.575 -3.237 190 2HG GLU 26 3HG GLU 26 5.988 5.103 -3.159 191 H MET 27 HN MET 27 3.076 5.175 -6.800 192 HA MET 27 HA MET 27 0.931 3.254 -6.989 193 1HB MET 27 2HB MET 27 0.754 4.172 -9.336 194 2HB MET 27 3HB MET 27 0.684 5.442 -8.130 195 1HG MET 27 2HG MET 27 2.475 6.455 -9.089 196 2HG MET 27 3HG MET 27 3.462 5.049 -8.740 197 1HE MET 27 1HE MET 27 4.869 4.276 -11.114 198 2HE MET 27 2HE MET 27 4.486 5.538 -12.309 199 3HE MET 27 3HE MET 27 4.734 5.975 -10.601 200 H VAL 28 HN VAL 28 1.055 1.275 -8.064 201 HA VAL 28 HA VAL 28 3.630 0.670 -9.337 202 HB VAL 28 HB VAL 28 3.904 -1.277 -8.170 203 1HG1 VAL 28 1HG1 VAL 28 2.425 -0.082 -5.886 204 2HG1 VAL 28 2HG1 VAL 28 4.122 -0.610 -6.011 205 3HG1 VAL 28 3HG1 VAL 28 3.628 0.963 -6.681 206 1HG2 VAL 28 1HG2 VAL 28 1.688 -1.944 -6.656 207 2HG2 VAL 28 2HG2 VAL 28 0.971 -1.347 -8.172 208 3HG2 VAL 28 3HG2 VAL 28 2.151 -2.678 -8.211 209 HA PRO 29 HA PRO 29 1.226 -1.091 -12.470 210 1HB PRO 29 2HB PRO 29 2.583 -3.336 -13.235 211 2HB PRO 29 3HB PRO 29 3.059 -1.718 -13.711 212 1HG PRO 29 2HG PRO 29 4.291 -3.494 -11.694 213 2HG PRO 29 3HG PRO 29 4.975 -2.087 -12.481 214 1HD PRO 29 2HD PRO 29 3.950 -2.229 -9.806 215 2HD PRO 29 3HD PRO 29 4.528 -0.796 -10.632 216 H TRP 30 HN TRP 30 -0.811 -1.751 -12.265 217 HA TRP 30 HA TRP 30 -1.102 -4.440 -11.143 218 1HB TRP 30 2HB TRP 30 -1.517 -2.907 -9.310 219 2HB TRP 30 3HB TRP 30 -2.653 -1.992 -10.282 220 HD1 TRP 30 HD1 TRP 30 -5.109 -2.603 -9.671 221 HE1 TRP 30 HE1 TRP 30 -6.485 -4.686 -8.816 222 HE3 TRP 30 HE3 TRP 30 -1.165 -5.809 -9.515 223 HZ2 TRP 30 HZ2 TRP 30 -5.787 -7.379 -8.184 224 HZ3 TRP 30 HZ3 TRP 30 -1.598 -8.147 -8.766 225 HH2 TRP 30 HH2 TRP 30 -3.814 -8.949 -8.115 226 H ASP 31 HN ASP 31 -3.594 -5.078 -11.559 227 HA ASP 31 HA ASP 31 -4.423 -3.912 -14.079 228 1HB ASP 31 2HB ASP 31 -3.046 -6.210 -14.174 229 2HB ASP 31 3HB ASP 31 -4.582 -6.908 -13.702 230 H GLY 32 HN GLY 32 -5.783 -3.077 -11.995 231 1HA GLY 32 1HA GLY 32 -8.273 -4.577 -12.024 232 2HA GLY 32 2HA GLY 32 -7.480 -4.452 -10.467 233 H CYS 33 HN CYS 33 -6.260 -1.785 -11.002 234 HA CYS 33 HA CYS 33 -8.509 -0.240 -10.206 235 1HB CYS 33 2HB CYS 33 -5.714 -0.071 -9.899 236 2HB CYS 33 3HB CYS 33 -6.156 1.338 -10.843 237 HG CYS 33 HG CYS 33 -6.156 1.158 -7.897 238 H LYS 34 HN LYS 34 -8.799 2.034 -11.353 239 HA LYS 34 HA LYS 34 -9.596 1.516 -13.995 240 1HB LYS 34 2HB LYS 34 -9.614 3.813 -12.116 241 2HB LYS 34 3HB LYS 34 -9.665 4.222 -13.819 242 1HG LYS 34 2HG LYS 34 -11.641 2.829 -14.173 243 2HG LYS 34 3HG LYS 34 -11.519 2.150 -12.562 244 1HD LYS 34 2HD LYS 34 -13.236 3.837 -12.453 245 2HD LYS 34 3HD LYS 34 -11.840 4.504 -11.629 246 1HE LYS 34 2HE LYS 34 -11.346 6.008 -13.378 247 2HE LYS 34 3HE LYS 34 -12.150 5.032 -14.591 248 1HZ LYS 34 1HZ LYS 34 -14.041 6.067 -14.189 249 2HZ LYS 34 2HZ LYS 34 -13.940 5.872 -12.571 250 3HZ LYS 34 3HZ LYS 34 -13.214 7.148 -13.288 251 H ALA 35 HN ALA 35 -6.582 2.597 -12.535 252 HA ALA 35 HA ALA 35 -5.571 3.213 -15.226 253 1HB ALA 35 1HB ALA 35 -4.034 4.716 -14.212 254 2HB ALA 35 2HB ALA 35 -5.586 5.022 -13.396 255 3HB ALA 35 3HB ALA 35 -4.332 4.052 -12.588 256 H GLY 36 HN GLY 36 -5.999 0.540 -13.792 257 1HA GLY 36 1HA GLY 36 -4.837 -1.333 -13.260 258 2HA GLY 36 2HA GLY 36 -3.954 -0.925 -14.719 259 H GLN 37 HN GLN 37 -4.070 0.548 -11.392 260 HA GLN 37 HA GLN 37 -1.344 -0.242 -10.994 261 1HB GLN 37 2HB GLN 37 -0.623 2.127 -10.471 262 2HB GLN 37 3HB GLN 37 -0.927 1.822 -12.170 263 1HG GLN 37 2HG GLN 37 -2.405 3.538 -12.176 264 2HG GLN 37 3HG GLN 37 -3.440 2.613 -11.105 265 1HE2 GLN 37 1HE2 GLN 37 -3.735 3.240 -9.075 266 2HE2 GLN 37 2HE2 GLN 37 -2.919 4.542 -8.278 267 H ILE 38 HN ILE 38 -1.250 -0.981 -8.920 268 HA ILE 38 HA ILE 38 -3.289 -0.010 -7.073 269 HB ILE 38 HB ILE 38 -2.633 -2.515 -7.700 270 1HG1 ILE 38 2HG1 ILE 38 -3.242 -2.597 -4.919 271 2HG1 ILE 38 3HG1 ILE 38 -4.039 -1.184 -5.582 272 1HG2 ILE 38 1HG2 ILE 38 -1.151 -2.408 -5.131 273 2HG2 ILE 38 2HG2 ILE 38 -0.956 -3.485 -6.534 274 3HG2 ILE 38 3HG2 ILE 38 -0.286 -1.837 -6.578 275 1HD1 ILE 38 1HD1 ILE 38 -5.262 -2.462 -7.179 276 2HD1 ILE 38 2HD1 ILE 38 -4.182 -3.866 -7.004 277 3HD1 ILE 38 3HD1 ILE 38 -5.314 -3.444 -5.696 278 H ALA 39 HN ALA 39 -2.778 0.913 -5.055 279 HA ALA 39 HA ALA 39 -0.231 2.243 -5.026 280 1HB ALA 39 1HB ALA 39 -1.534 2.807 -2.639 281 2HB ALA 39 2HB ALA 39 -1.676 3.743 -4.147 282 3HB ALA 39 3HB ALA 39 -2.877 2.486 -3.762 283 H SER 40 HN SER 40 1.538 1.073 -4.431 284 HA SER 40 HA SER 40 1.303 -0.343 -1.913 285 1HB SER 40 2HB SER 40 2.086 -1.504 -4.570 286 2HB SER 40 3HB SER 40 3.004 -2.031 -3.174 287 HG SER 40 HG SER 40 1.143 -3.395 -3.582 288 H SER 41 HN SER 41 3.914 -1.289 -1.665 289 HA SER 41 HA SER 41 5.432 1.185 -1.949 290 1HB SER 41 2HB SER 41 6.782 0.146 0.033 291 2HB SER 41 3HB SER 41 5.228 0.881 0.369 292 HG SER 41 HG SER 41 6.005 -1.832 0.478 293 HA PRO 42 HA PRO 42 7.615 -1.830 -4.475 294 1HB PRO 42 2HB PRO 42 8.322 -0.119 -6.485 295 2HB PRO 42 3HB PRO 42 6.851 -1.070 -6.510 296 1HG PRO 42 2HG PRO 42 7.180 1.820 -5.981 297 2HG PRO 42 3HG PRO 42 5.729 0.944 -6.427 298 1HD PRO 42 2HD PRO 42 6.419 1.905 -3.814 299 2HD PRO 42 3HD PRO 42 5.026 0.929 -4.238 300 H ARG 43 HN ARG 43 8.855 1.487 -4.430 301 HA ARG 43 HA ARG 43 11.457 0.378 -3.997 302 1HB ARG 43 2HB ARG 43 10.425 3.231 -4.359 303 2HB ARG 43 3HB ARG 43 12.113 2.880 -4.041 304 1HG ARG 43 2HG ARG 43 12.320 1.585 -6.092 305 2HG ARG 43 3HG ARG 43 10.586 1.603 -6.353 306 1HD ARG 43 2HD ARG 43 10.609 4.033 -6.741 307 2HD ARG 43 3HD ARG 43 12.300 4.133 -6.294 308 HE ARG 43 HE ARG 43 12.037 2.233 -8.421 309 1HH1 ARG 43 1HH1 ARG 43 12.688 4.464 -11.023 310 2HH1 ARG 43 2HH1 ARG 43 12.604 2.797 -10.561 311 1HH2 ARG 43 1HH2 ARG 43 12.224 6.125 -9.469 312 2HH2 ARG 43 2HH2 ARG 43 11.794 5.696 -7.846 313 H THR 44 HN THR 44 11.197 -0.518 -1.832 314 HA THR 44 HA THR 44 10.385 1.245 0.301 315 HB THR 44 HB THR 44 11.558 -1.583 0.369 316 HG1 THR 44 1HG THR 44 9.669 -1.602 -0.929 317 1HG2 THR 44 1HG2 THR 44 10.089 -1.755 2.405 318 2HG2 THR 44 2HG2 THR 44 11.359 -0.527 2.613 319 3HG2 THR 44 3HG2 THR 44 9.692 -0.029 2.240 320 H GLU 45 HN GLU 45 12.943 1.596 -1.509 321 HA GLU 45 HA GLU 45 15.192 1.192 -0.113 322 1HB GLU 45 2HB GLU 45 16.172 2.996 -1.376 323 2HB GLU 45 3HB GLU 45 14.953 2.259 -2.396 324 1HG GLU 45 2HG GLU 45 13.361 4.041 -1.934 325 2HG GLU 45 3HG GLU 45 14.367 4.694 -0.655 326 H ASP 46 HN ASP 46 12.532 3.327 0.719 327 HA ASP 46 HA ASP 46 14.196 4.643 2.696 328 1HB ASP 46 2HB ASP 46 12.061 5.506 1.034 329 2HB ASP 46 3HB ASP 46 11.378 5.451 2.647 330 H CYS 47 HN CYS 47 11.967 5.272 4.503 331 HA CYS 47 HA CYS 47 10.759 4.455 6.150 332 1HB CYS 47 2HB CYS 47 9.480 3.180 4.485 333 2HB CYS 47 3HB CYS 47 10.642 1.870 4.562 334 H VAL 48 HN VAL 48 11.256 3.477 8.196 335 HA VAL 48 HA VAL 48 13.288 1.471 8.353 336 HB VAL 48 HB VAL 48 14.632 3.486 7.953 337 1HG1 VAL 48 1HG1 VAL 48 12.824 4.612 9.961 338 2HG1 VAL 48 2HG1 VAL 48 14.539 4.928 10.319 339 3HG1 VAL 48 3HG1 VAL 48 13.849 5.426 8.755 340 1HG2 VAL 48 1HG2 VAL 48 15.880 3.353 10.289 341 2HG2 VAL 48 2HG2 VAL 48 14.766 1.989 10.545 342 3HG2 VAL 48 3HG2 VAL 48 15.881 1.978 9.158 343 H GLY 49 HN GLY 49 10.676 1.249 9.068 344 1HA GLY 49 1HA GLY 49 9.472 0.517 10.834 345 2HA GLY 49 2HA GLY 49 10.854 0.783 11.878 346 H CYS 50 HN CYS 50 8.412 2.689 9.971 347 HA CYS 50 HA CYS 50 8.349 4.547 12.238 348 1HB CYS 50 2HB CYS 50 8.789 6.203 10.815 349 2HB CYS 50 3HB CYS 50 8.854 5.077 9.474 350 H LYS 51 HN LYS 51 6.803 2.011 10.691 351 HA LYS 51 HA LYS 51 4.710 1.306 10.482 352 1HB LYS 51 2HB LYS 51 4.580 2.805 13.106 353 2HB LYS 51 3HB LYS 51 3.244 1.841 12.508 354 1HG LYS 51 2HG LYS 51 4.258 -0.091 13.137 355 2HG LYS 51 3HG LYS 51 5.723 0.325 12.270 356 1HD LYS 51 2HD LYS 51 5.160 1.724 14.889 357 2HD LYS 51 3HD LYS 51 5.714 0.062 14.937 358 1HE LYS 51 2HE LYS 51 7.846 0.699 14.487 359 2HE LYS 51 3HE LYS 51 7.339 1.527 13.029 360 1HZ LYS 51 1HZ LYS 51 6.544 3.029 15.232 361 2HZ LYS 51 2HZ LYS 51 8.122 2.655 15.421 362 3HZ LYS 51 3HZ LYS 51 7.622 3.426 14.071 363 H ARG 52 HN ARG 52 2.890 3.709 12.067 364 HA ARG 52 HA ARG 52 1.604 5.325 11.414 365 1HB ARG 52 2HB ARG 52 3.895 5.651 9.651 366 2HB ARG 52 3HB ARG 52 2.439 6.034 8.754 367 1HG ARG 52 2HG ARG 52 2.895 8.107 9.732 368 2HG ARG 52 3HG ARG 52 1.790 7.431 10.913 369 1HD ARG 52 2HD ARG 52 4.815 7.103 11.144 370 2HD ARG 52 3HD ARG 52 3.966 8.469 11.839 371 HE ARG 52 HE ARG 52 4.024 5.777 12.893 372 1HH1 ARG 52 1HH1 ARG 52 1.482 6.307 15.224 373 2HH1 ARG 52 2HH1 ARG 52 2.784 5.271 14.743 374 1HH2 ARG 52 1HH2 ARG 52 0.997 8.210 13.986 375 2HH2 ARG 52 2HH2 ARG 52 1.937 8.593 12.583 376 H CYS 53 HN CYS 53 2.554 3.495 8.404 377 HA CYS 53 HA CYS 53 0.032 3.641 7.238 378 1HB CYS 53 2HB CYS 53 0.858 1.767 5.792 379 2HB CYS 53 3HB CYS 53 1.922 3.157 5.859 380 H GLU 54 HN GLU 54 -1.437 3.147 9.050 381 HA GLU 54 HA GLU 54 -1.467 0.291 9.648 382 1HB GLU 54 2HB GLU 54 -1.101 2.194 11.514 383 2HB GLU 54 3HB GLU 54 -2.852 2.266 11.448 384 1HG GLU 54 2HG GLU 54 -3.019 -0.146 11.933 385 2HG GLU 54 3HG GLU 54 -1.277 -0.322 11.849 386 H THR 55 HN THR 55 -2.606 1.056 7.266 387 HA THR 55 HA THR 55 -5.299 0.274 7.626 388 HB THR 55 HB THR 55 -5.504 2.659 8.355 389 HG1 THR 55 1HG THR 55 -7.073 3.134 6.550 390 1HG2 THR 55 1HG2 THR 55 -4.915 3.507 5.510 391 2HG2 THR 55 2HG2 THR 55 -4.883 4.480 7.000 392 3HG2 THR 55 3HG2 THR 55 -3.551 3.353 6.644 393 H ALA 56 HN ALA 56 -3.241 -0.920 6.277 394 HA ALA 56 HA ALA 56 -2.829 -0.171 3.666 395 1HB ALA 56 1HB ALA 56 -3.152 -3.025 4.660 396 2HB ALA 56 2HB ALA 56 -2.118 -2.439 3.334 397 3HB ALA 56 3HB ALA 56 -1.726 -2.022 5.020 398 H CYS 57 HN CYS 57 -5.543 -2.039 5.138 399 HA CYS 57 HA CYS 57 -7.434 -1.119 3.398 400 1HB CYS 57 2HB CYS 57 -5.776 -2.939 2.016 401 2HB CYS 57 3HB CYS 57 -7.245 -3.825 2.374 402 HA PRO 58 HA PRO 58 -9.689 -3.436 6.316 403 1HB PRO 58 2HB PRO 58 -12.146 -3.675 5.144 404 2HB PRO 58 3HB PRO 58 -11.607 -2.217 5.953 405 1HG PRO 58 2HG PRO 58 -11.848 -2.749 3.055 406 2HG PRO 58 3HG PRO 58 -11.729 -1.208 3.881 407 1HD PRO 58 2HD PRO 58 -9.642 -2.549 2.441 408 2HD PRO 58 3HD PRO 58 -9.493 -1.067 3.365 409 H THR 59 HN THR 59 -7.933 -5.108 5.330 410 HA THR 59 HA THR 59 -7.540 -7.254 4.903 411 HB THR 59 HB THR 59 -10.382 -7.865 5.815 412 HG1 THR 59 1HG THR 59 -9.160 -6.086 7.043 413 1HG2 THR 59 1HG2 THR 59 -9.451 -9.941 6.045 414 2HG2 THR 59 2HG2 THR 59 -7.850 -9.316 5.581 415 3HG2 THR 59 3HG2 THR 59 -8.372 -9.252 7.282 416 H ASP 60 HN ASP 60 -9.405 -9.349 4.053 417 HA ASP 60 HA ASP 60 -10.575 -10.017 2.304 418 1HB ASP 60 2HB ASP 60 -11.149 -7.360 2.097 419 2HB ASP 60 3HB ASP 60 -10.169 -7.539 0.655 420 H PHE 61 HN PHE 61 -7.810 -7.762 1.675 421 HA PHE 61 HA PHE 61 -6.833 -9.635 -0.357 422 1HB PHE 61 2HB PHE 61 -6.915 -6.694 0.081 423 2HB PHE 61 3HB PHE 61 -5.294 -7.239 -0.302 424 HD1 PHE 61 1HD PHE 61 -7.965 -5.800 -1.754 425 HD2 PHE 61 2HD PHE 61 -5.520 -9.226 -2.294 426 HE1 PHE 61 1HE PHE 61 -8.556 -5.838 -4.193 427 HE2 PHE 61 2HE PHE 61 -6.111 -9.263 -4.734 428 HZ PHE 61 HZ PHE 61 -7.621 -7.568 -5.654 429 H LEU 62 HN LEU 62 -5.243 -7.207 1.822 430 HA LEU 62 HA LEU 62 -2.937 -8.752 2.113 431 1HB LEU 62 2HB LEU 62 -2.219 -7.111 3.615 432 2HB LEU 62 3HB LEU 62 -3.187 -6.283 2.411 433 HG LEU 62 HG LEU 62 -4.841 -7.056 4.660 434 1HD1 LEU 62 1HD1 LEU 62 -2.165 -6.032 5.308 435 2HD1 LEU 62 2HD1 LEU 62 -3.499 -5.088 6.012 436 3HD1 LEU 62 3HD1 LEU 62 -3.376 -6.834 6.337 437 1HD2 LEU 62 1HD2 LEU 62 -4.843 -4.353 4.654 438 2HD2 LEU 62 2HD2 LEU 62 -4.245 -4.673 3.009 439 3HD2 LEU 62 3HD2 LEU 62 -5.802 -5.354 3.537 440 H SER 63 HN SER 63 -2.877 -8.339 5.166 441 HA SER 63 HA SER 63 -3.256 -9.479 6.976 442 1HB SER 63 2HB SER 63 -5.724 -10.608 5.580 443 2HB SER 63 3HB SER 63 -5.388 -10.729 7.296 444 HG SER 63 HG SER 63 -5.204 -8.198 7.031 445 H ILE 64 HN ILE 64 -1.400 -10.488 5.155 446 HA ILE 64 HA ILE 64 -1.802 -13.382 5.452 447 HB ILE 64 HB ILE 64 -0.331 -12.024 3.195 448 1HG1 ILE 64 2HG1 ILE 64 -3.026 -13.353 2.938 449 2HG1 ILE 64 3HG1 ILE 64 -2.892 -11.651 3.338 450 1HG2 ILE 64 1HG2 ILE 64 0.562 -14.176 3.483 451 2HG2 ILE 64 2HG2 ILE 64 -1.031 -14.891 3.828 452 3HG2 ILE 64 3HG2 ILE 64 -0.638 -14.347 2.179 453 1HD1 ILE 64 1HD1 ILE 64 -2.254 -11.079 1.222 454 2HD1 ILE 64 2HD1 ILE 64 -1.144 -12.464 1.086 455 3HD1 ILE 64 3HD1 ILE 64 -2.882 -12.681 0.768 456 H ARG 65 HN ARG 65 0.760 -10.875 4.825 457 HA ARG 65 HA ARG 65 2.458 -12.439 6.576 458 1HB ARG 65 2HB ARG 65 2.906 -10.607 4.257 459 2HB ARG 65 3HB ARG 65 4.084 -10.450 5.546 460 1HG ARG 65 2HG ARG 65 4.928 -12.128 4.022 461 2HG ARG 65 3HG ARG 65 4.415 -12.968 5.473 462 1HD ARG 65 2HD ARG 65 2.074 -12.998 4.002 463 2HD ARG 65 3HD ARG 65 3.267 -13.068 2.721 464 HE ARG 65 HE ARG 65 2.684 -15.163 4.665 465 1HH1 ARG 65 1HH1 ARG 65 5.271 -17.223 3.556 466 2HH1 ARG 65 2HH1 ARG 65 3.828 -17.135 4.508 467 1HH2 ARG 65 1HH2 ARG 65 6.045 -15.341 2.441 468 2HH2 ARG 65 2HH2 ARG 65 5.178 -13.846 2.561 469 H VAL 66 HN VAL 66 2.032 -11.774 8.695 470 HA VAL 66 HA VAL 66 1.213 -9.224 9.420 471 HB VAL 66 HB VAL 66 2.607 -11.436 10.929 472 1HG1 VAL 66 1HG1 VAL 66 1.311 -9.996 12.853 473 2HG1 VAL 66 2HG1 VAL 66 3.047 -9.859 12.484 474 3HG1 VAL 66 3HG1 VAL 66 1.893 -8.699 11.784 475 1HG2 VAL 66 1HG2 VAL 66 -0.009 -11.181 9.931 476 2HG2 VAL 66 2HG2 VAL 66 0.592 -12.382 11.099 477 3HG2 VAL 66 3HG2 VAL 66 -0.134 -10.864 11.678 478 H TYR 67 HN TYR 67 2.304 -7.387 10.230 479 HA TYR 67 HA TYR 67 5.214 -7.452 10.167 480 1HB TYR 67 2HB TYR 67 3.363 -6.320 8.165 481 2HB TYR 67 3HB TYR 67 4.279 -5.025 8.908 482 HD1 TYR 67 HD1 TYR 67 4.408 -7.900 6.667 483 HD2 TYR 67 HD2 TYR 67 6.760 -4.965 8.706 484 HE1 TYR 67 HE1 TYR 67 6.378 -8.410 5.143 485 HE2 TYR 67 HE2 TYR 67 8.722 -5.484 7.174 486 HH TYR 67 HH TYR 67 9.452 -6.663 5.526 487 H LEU 68 HN LEU 68 2.638 -4.891 10.185 488 HA LEU 68 HA LEU 68 3.738 -3.193 11.932 489 1HB LEU 68 2HB LEU 68 0.837 -4.009 11.743 490 2HB LEU 68 3HB LEU 68 1.412 -2.587 12.591 491 HG LEU 68 HG LEU 68 1.845 -3.081 9.634 492 1HD1 LEU 68 1HD1 LEU 68 0.074 -1.004 9.789 493 2HD1 LEU 68 2HD1 LEU 68 -0.352 -2.697 9.442 494 3HD1 LEU 68 3HD1 LEU 68 -0.492 -2.066 11.100 495 1HD2 LEU 68 1HD2 LEU 68 1.902 -0.326 10.600 496 2HD2 LEU 68 2HD2 LEU 68 3.161 -1.345 11.339 497 3HD2 LEU 68 3HD2 LEU 68 3.052 -1.208 9.568 498 H GLY 69 HN GLY 69 4.741 -3.499 13.843 499 1HA GLY 69 1HA GLY 69 5.144 -4.211 15.934 500 2HA GLY 69 2HA GLY 69 3.422 -4.488 16.103 501 H ALA 70 HN ALA 70 6.395 -5.947 14.621 502 HA ALA 70 HA ALA 70 5.847 -8.455 15.814 503 1HB ALA 70 1HB ALA 70 4.288 -8.104 13.639 504 2HB ALA 70 2HB ALA 70 5.766 -8.688 12.837 505 3HB ALA 70 3HB ALA 70 4.978 -9.684 14.084 506 H GLU 71 HN GLU 71 7.395 -6.866 12.934 507 HA GLU 71 HA GLU 71 9.544 -8.408 12.650 508 1HB GLU 71 2HB GLU 71 10.741 -6.375 11.831 509 2HB GLU 71 3HB GLU 71 9.104 -6.482 11.217 510 1HG GLU 71 2HG GLU 71 8.485 -5.013 13.331 511 2HG GLU 71 3HG GLU 71 10.197 -4.641 13.366 512 H THR 72 HN THR 72 9.112 -5.807 15.121 513 HA THR 72 HA THR 72 10.501 -5.146 16.782 514 HB THR 72 HB THR 72 10.674 -7.002 18.465 515 HG1 THR 72 1HG THR 72 9.602 -8.598 16.266 516 1HG2 THR 72 1HG2 THR 72 8.172 -8.001 17.582 517 2HG2 THR 72 2HG2 THR 72 8.425 -6.666 18.732 518 3HG2 THR 72 3HG2 THR 72 8.221 -6.321 16.997 519 H THR 73 HN THR 73 12.156 -4.669 14.959 520 HA THR 73 HA THR 73 14.551 -6.299 15.497 521 HB THR 73 HB THR 73 13.738 -6.443 13.150 522 HG1 THR 73 1HG THR 73 15.853 -6.067 12.503 523 1HG2 THR 73 1HG2 THR 73 13.133 -3.666 13.514 524 2HG2 THR 73 2HG2 THR 73 14.468 -3.743 12.339 525 3HG2 THR 73 3HG2 THR 73 12.952 -4.619 12.022 526 H ARG 74 HN ARG 74 13.068 -3.087 15.481 527 HA ARG 74 HA ARG 74 15.640 -1.927 16.072 528 1HB ARG 74 2HB ARG 74 14.450 0.244 15.909 529 2HB ARG 74 3HB ARG 74 14.118 -0.739 14.498 530 1HG ARG 74 2HG ARG 74 12.237 -1.015 16.830 531 2HG ARG 74 3HG ARG 74 12.155 0.476 15.915 532 1HD ARG 74 2HD ARG 74 11.074 -0.551 14.196 533 2HD ARG 74 3HD ARG 74 12.313 -1.786 14.078 534 HE ARG 74 HE ARG 74 10.972 -3.230 15.348 535 1HH1 ARG 74 1HH1 ARG 74 7.947 -2.651 16.989 536 2HH1 ARG 74 2HH1 ARG 74 9.083 -3.852 16.473 537 1HH2 ARG 74 1HH2 ARG 74 8.345 -0.409 16.538 538 2HH2 ARG 74 2HH2 ARG 74 9.777 0.062 15.685 539 H SER 75 HN SER 75 12.728 -3.111 17.615 540 HA SER 75 HA SER 75 13.605 -1.856 20.099 541 1HB SER 75 2HB SER 75 11.185 -1.438 18.935 542 2HB SER 75 3HB SER 75 10.798 -2.877 19.855 543 HG SER 75 HG SER 75 10.718 -0.480 20.815 544 H MET 76 HN MET 76 13.963 -4.603 18.452 545 HA MET 76 HA MET 76 12.889 -6.710 19.576 546 1HB MET 76 2HB MET 76 14.611 -7.117 17.986 547 2HB MET 76 3HB MET 76 15.752 -6.066 18.802 548 1HG MET 76 2HG MET 76 15.979 -7.720 20.653 549 2HG MET 76 3HG MET 76 14.797 -8.762 19.886 550 1HE MET 76 1HE MET 76 15.099 -10.350 18.685 551 2HE MET 76 2HE MET 76 15.806 -10.134 17.066 552 3HE MET 76 3HE MET 76 16.668 -11.093 18.293 553 H GLY 77 HN GLY 77 15.827 -5.109 21.019 554 1HA GLY 77 1HA GLY 77 14.932 -5.128 23.647 555 2HA GLY 77 2HA GLY 77 15.760 -6.652 23.394 556 H LEU 78 HN LEU 78 16.467 -3.466 21.838 557 HA LEU 78 HA LEU 78 19.134 -3.633 23.049 558 1HB LEU 78 2HB LEU 78 18.496 -1.952 20.660 559 2HB LEU 78 3HB LEU 78 20.024 -2.649 21.161 560 HG LEU 78 HG LEU 78 17.735 -3.932 19.704 561 1HD1 LEU 78 1HD1 LEU 78 20.692 -4.274 19.225 562 2HD1 LEU 78 2HD1 LEU 78 19.334 -4.505 18.096 563 3HD1 LEU 78 3HD1 LEU 78 19.796 -2.864 18.610 564 1HD2 LEU 78 1HD2 LEU 78 19.442 -5.234 21.732 565 2HD2 LEU 78 2HD2 LEU 78 17.855 -5.707 21.080 566 3HD2 LEU 78 3HD2 LEU 78 19.337 -6.074 20.167 567 H ALA 79 HN ALA 79 16.971 -1.031 21.720 568 HA ALA 79 HA ALA 79 17.912 0.732 23.806 569 1HB ALA 79 1HB ALA 79 17.580 2.191 22.132 570 2HB ALA 79 2HB ALA 79 16.783 0.939 21.151 571 3HB ALA 79 3HB ALA 79 15.828 1.921 22.288 572 H TYR 80 HN TYR 80 14.933 -1.031 22.823 573 HA TYR 80 HA TYR 80 13.000 0.008 24.305 574 1HB TYR 80 2HB TYR 80 12.093 -2.203 24.165 575 2HB TYR 80 3HB TYR 80 13.366 -2.287 22.962 576 HD1 TYR 80 HD1 TYR 80 15.741 -2.459 24.875 577 HD2 TYR 80 HD2 TYR 80 11.973 -4.483 24.810 578 HE1 TYR 80 HE1 TYR 80 16.770 -4.428 26.109 579 HE2 TYR 80 HE2 TYR 80 13.015 -6.446 26.044 580 HH TYR 80 HH TYR 80 15.638 -7.319 26.146 Start of MODEL 4 1 H SER 1 HN SER 1 -6.117 -2.651 9.090 2 HA SER 1 HA SER 1 -3.665 -2.079 8.926 3 1HB SER 1 2HB SER 1 -4.962 -2.909 11.556 4 2HB SER 1 3HB SER 1 -3.449 -2.030 11.473 5 HG SER 1 HG SER 1 -6.021 -1.153 10.472 6 H HIS 2 HN HIS 2 -3.030 -4.238 7.689 7 HA HIS 2 HA HIS 2 -1.486 -5.825 9.601 8 1HB HIS 2 2HB HIS 2 -3.105 -6.840 7.253 9 2HB HIS 2 3HB HIS 2 -1.887 -7.795 8.076 10 HD1 HIS 2 HD1 HIS 2 -5.361 -6.420 8.486 11 HD2 HIS 2 HD2 HIS 2 -2.604 -8.702 10.673 12 HE1 HIS 2 HE1 HIS 2 -6.656 -7.422 10.442 13 H SER 3 HN SER 3 0.060 -7.327 7.931 14 HA SER 3 HA SER 3 2.080 -5.793 7.240 15 1HB SER 3 2HB SER 3 2.901 -7.583 5.889 16 2HB SER 3 3HB SER 3 1.877 -8.341 7.093 17 HG SER 3 HG SER 3 1.562 -8.186 4.312 18 H VAL 4 HN VAL 4 2.896 -4.721 5.309 19 HA VAL 4 HA VAL 4 0.719 -3.842 3.553 20 HB VAL 4 HB VAL 4 3.332 -2.603 4.412 21 1HG1 VAL 4 1HG1 VAL 4 3.451 -1.404 2.537 22 2HG1 VAL 4 2HG1 VAL 4 2.070 -2.312 1.875 23 3HG1 VAL 4 3HG1 VAL 4 1.793 -0.810 2.790 24 1HG2 VAL 4 1HG2 VAL 4 0.865 -1.021 4.547 25 2HG2 VAL 4 2HG2 VAL 4 0.808 -2.501 5.534 26 3HG2 VAL 4 3HG2 VAL 4 2.110 -1.313 5.785 27 H LYS 5 HN LYS 5 4.314 -4.405 3.392 28 HA LYS 5 HA LYS 5 5.544 -4.939 1.589 29 1HB LYS 5 2HB LYS 5 3.641 -7.297 1.596 30 2HB LYS 5 3HB LYS 5 5.290 -7.280 1.009 31 1HG LYS 5 2HG LYS 5 4.324 -7.015 3.880 32 2HG LYS 5 3HG LYS 5 5.400 -8.226 3.212 33 1HD LYS 5 2HD LYS 5 6.048 -5.253 3.492 34 2HD LYS 5 3HD LYS 5 6.640 -6.522 4.545 35 1HE LYS 5 2HE LYS 5 7.637 -7.628 2.427 36 2HE LYS 5 3HE LYS 5 7.269 -6.135 1.587 37 1HZ LYS 5 1HZ LYS 5 8.511 -5.285 3.805 38 2HZ LYS 5 2HZ LYS 5 9.320 -6.667 3.484 39 3HZ LYS 5 3HZ LYS 5 9.229 -5.492 2.353 40 H ILE 6 HN ILE 6 4.704 -6.610 -0.708 41 HA ILE 6 HA ILE 6 3.253 -4.506 -2.148 42 HB ILE 6 HB ILE 6 4.365 -5.962 -4.103 43 1HG1 ILE 6 2HG1 ILE 6 5.420 -7.451 -2.307 44 2HG1 ILE 6 3HG1 ILE 6 6.458 -6.864 -3.592 45 1HG2 ILE 6 1HG2 ILE 6 5.092 -3.521 -2.623 46 2HG2 ILE 6 2HG2 ILE 6 6.412 -4.240 -3.576 47 3HG2 ILE 6 3HG2 ILE 6 4.882 -3.796 -4.369 48 1HD1 ILE 6 1HD1 ILE 6 6.316 -5.010 -1.289 49 2HD1 ILE 6 2HD1 ILE 6 6.976 -6.611 -0.877 50 3HD1 ILE 6 3HD1 ILE 6 7.738 -5.638 -2.157 51 H TYR 7 HN TYR 7 1.196 -4.929 -2.729 52 HA TYR 7 HA TYR 7 0.475 -7.571 -3.597 53 1HB TYR 7 2HB TYR 7 -0.632 -6.191 -1.074 54 2HB TYR 7 3HB TYR 7 -1.401 -7.585 -1.808 55 HD1 TYR 7 HD1 TYR 7 0.598 -9.509 -2.353 56 HD2 TYR 7 HD2 TYR 7 0.466 -6.723 0.891 57 HE1 TYR 7 HE1 TYR 7 2.072 -11.045 -0.965 58 HE2 TYR 7 HE2 TYR 7 1.940 -8.269 2.268 59 HH TYR 7 HH TYR 7 2.310 -11.307 1.787 60 H ASP 8 HN ASP 8 -1.676 -7.622 -4.587 61 HA ASP 8 HA ASP 8 -2.308 -5.022 -5.624 62 1HB ASP 8 2HB ASP 8 -3.861 -6.327 -7.119 63 2HB ASP 8 3HB ASP 8 -2.193 -6.854 -7.216 64 H THR 9 HN THR 9 -2.905 -5.319 -2.833 65 HA THR 9 HA THR 9 -5.777 -5.863 -2.716 66 HB THR 9 HB THR 9 -4.164 -6.904 -1.064 67 HG1 THR 9 1HG THR 9 -6.506 -5.989 -0.719 68 1HG2 THR 9 1HG2 THR 9 -2.727 -5.643 0.202 69 2HG2 THR 9 2HG2 THR 9 -3.035 -4.324 -0.953 70 3HG2 THR 9 3HG2 THR 9 -3.990 -4.437 0.543 71 H CYS 10 HN CYS 10 -6.717 -4.114 -3.767 72 HA CYS 10 HA CYS 10 -6.680 -1.710 -2.171 73 1HB CYS 10 2HB CYS 10 -4.868 -1.388 -3.879 74 2HB CYS 10 3HB CYS 10 -6.074 -1.556 -5.140 75 H ILE 11 HN ILE 11 -8.670 -0.502 -2.455 76 HA ILE 11 HA ILE 11 -10.656 -1.947 -4.068 77 HB ILE 11 HB ILE 11 -12.317 -1.263 -2.442 78 1HG1 ILE 11 2HG1 ILE 11 -11.184 -0.423 -0.167 79 2HG1 ILE 11 3HG1 ILE 11 -10.037 0.280 -1.289 80 1HG2 ILE 11 1HG2 ILE 11 -11.610 -2.696 -0.574 81 2HG2 ILE 11 2HG2 ILE 11 -11.238 -3.422 -2.156 82 3HG2 ILE 11 3HG2 ILE 11 -9.942 -2.671 -1.193 83 1HD1 ILE 11 1HD1 ILE 11 -11.641 1.984 -1.129 84 2HD1 ILE 11 2HD1 ILE 11 -12.203 1.108 -2.574 85 3HD1 ILE 11 3HD1 ILE 11 -12.994 0.834 -1.002 86 H GLY 12 HN GLY 12 -9.482 1.245 -2.869 87 1HA GLY 12 1HA GLY 12 -9.354 2.794 -4.902 88 2HA GLY 12 2HA GLY 12 -11.088 2.550 -4.969 89 H CYS 13 HN CYS 13 -8.910 2.868 -2.087 90 HA CYS 13 HA CYS 13 -10.546 5.174 -1.317 91 1HB CYS 13 2HB CYS 13 -10.643 4.430 0.813 92 2HB CYS 13 3HB CYS 13 -10.321 2.868 0.086 93 H THR 14 HN THR 14 -9.055 6.507 0.455 94 HA THR 14 HA THR 14 -6.559 7.055 -0.997 95 HB THR 14 HB THR 14 -6.826 9.316 0.159 96 HG1 THR 14 1HG THR 14 -8.237 8.224 1.847 97 1HG2 THR 14 1HG2 THR 14 -8.937 8.179 -1.696 98 2HG2 THR 14 2HG2 THR 14 -9.195 9.792 -0.989 99 3HG2 THR 14 3HG2 THR 14 -7.764 9.483 -2.002 100 H GLN 15 HN GLN 15 -7.853 5.680 1.892 101 HA GLN 15 HA GLN 15 -5.901 6.421 3.691 102 1HB GLN 15 2HB GLN 15 -7.107 5.091 5.071 103 2HB GLN 15 3HB GLN 15 -8.162 4.794 3.702 104 1HG GLN 15 2HG GLN 15 -6.724 2.839 3.040 105 2HG GLN 15 3HG GLN 15 -5.711 3.125 4.441 106 1HE2 GLN 15 1HE2 GLN 15 -6.688 0.730 4.336 107 2HE2 GLN 15 2HE2 GLN 15 -8.013 0.460 5.419 108 H CYS 16 HN CYS 16 -3.890 5.502 4.321 109 HA CYS 16 HA CYS 16 -2.166 4.064 4.230 110 1HB CYS 16 2HB CYS 16 -2.234 2.069 3.168 111 2HB CYS 16 3HB CYS 16 -3.930 2.460 2.954 112 H VAL 17 HN VAL 17 -3.484 5.527 1.210 113 HA VAL 17 HA VAL 17 -0.793 6.111 0.286 114 HB VAL 17 HB VAL 17 -3.444 6.813 -0.978 115 1HG1 VAL 17 1HG1 VAL 17 -0.740 7.384 -1.659 116 2HG1 VAL 17 2HG1 VAL 17 -1.350 6.197 -2.836 117 3HG1 VAL 17 3HG1 VAL 17 -2.215 7.734 -2.591 118 1HG2 VAL 17 1HG2 VAL 17 -3.648 4.499 -0.802 119 2HG2 VAL 17 2HG2 VAL 17 -2.880 4.701 -2.395 120 3HG2 VAL 17 3HG2 VAL 17 -1.899 4.226 -0.988 121 H ARG 18 HN ARG 18 -1.960 7.284 2.817 122 HA ARG 18 HA ARG 18 -1.625 10.048 1.982 123 1HB ARG 18 2HB ARG 18 -3.937 8.844 3.275 124 2HB ARG 18 3HB ARG 18 -3.216 10.000 4.376 125 1HG ARG 18 2HG ARG 18 -4.844 11.181 3.001 126 2HG ARG 18 3HG ARG 18 -3.244 11.727 2.538 127 1HD ARG 18 2HD ARG 18 -3.673 9.509 0.865 128 2HD ARG 18 3HD ARG 18 -5.253 10.261 0.945 129 HE ARG 18 HE ARG 18 -2.992 11.277 -0.484 130 1HH1 ARG 18 1HH1 ARG 18 -4.155 14.551 -0.805 131 2HH1 ARG 18 2HH1 ARG 18 -3.029 13.374 -1.393 132 1HH2 ARG 18 1HH2 ARG 18 -5.623 14.001 0.906 133 2HH2 ARG 18 2HH2 ARG 18 -5.594 12.413 1.594 134 H ALA 19 HN ALA 19 -1.724 7.763 4.815 135 HA ALA 19 HA ALA 19 0.024 9.423 6.352 136 1HB ALA 19 1HB ALA 19 -0.166 7.625 7.997 137 2HB ALA 19 2HB ALA 19 -1.772 7.983 7.317 138 3HB ALA 19 3HB ALA 19 -0.876 6.544 6.774 139 H CYS 20 HN CYS 20 1.841 9.672 4.882 140 HA CYS 20 HA CYS 20 3.889 7.883 5.402 141 1HB CYS 20 2HB CYS 20 2.549 6.429 3.810 142 2HB CYS 20 3HB CYS 20 2.912 7.587 2.547 143 HA PRO 21 HA PRO 21 5.032 11.971 3.942 144 1HB PRO 21 2HB PRO 21 6.938 12.466 5.838 145 2HB PRO 21 3HB PRO 21 5.254 12.915 6.030 146 1HG PRO 21 2HG PRO 21 6.735 10.689 7.294 147 2HG PRO 21 3HG PRO 21 5.211 11.409 7.777 148 1HD PRO 21 2HD PRO 21 5.574 8.909 6.421 149 2HD PRO 21 3HD PRO 21 4.048 9.683 6.800 150 H LEU 22 HN LEU 22 7.240 9.436 4.961 151 HA LEU 22 HA LEU 22 9.401 10.348 3.450 152 1HB LEU 22 2HB LEU 22 8.649 7.587 4.415 153 2HB LEU 22 3HB LEU 22 10.190 7.985 3.681 154 HG LEU 22 HG LEU 22 9.841 9.863 5.756 155 1HD1 LEU 22 1HD1 LEU 22 8.066 8.492 6.699 156 2HD1 LEU 22 2HD1 LEU 22 9.133 7.066 6.684 157 3HD1 LEU 22 3HD1 LEU 22 9.511 8.451 7.738 158 1HD2 LEU 22 1HD2 LEU 22 11.998 9.140 5.183 159 2HD2 LEU 22 2HD2 LEU 22 11.715 8.475 6.809 160 3HD2 LEU 22 3HD2 LEU 22 11.575 7.422 5.380 161 H ASP 23 HN ASP 23 8.139 7.145 2.585 162 HA ASP 23 HA ASP 23 6.777 7.729 0.324 163 1HB ASP 23 2HB ASP 23 9.484 8.451 -0.040 164 2HB ASP 23 3HB ASP 23 9.356 6.890 -0.825 165 H VAL 24 HN VAL 24 5.743 5.755 0.993 166 HA VAL 24 HA VAL 24 7.349 3.346 0.518 167 HB VAL 24 HB VAL 24 5.358 3.808 2.749 168 1HG1 VAL 24 1HG1 VAL 24 5.546 1.469 1.598 169 2HG1 VAL 24 2HG1 VAL 24 7.092 1.363 2.474 170 3HG1 VAL 24 3HG1 VAL 24 5.572 1.582 3.374 171 1HG2 VAL 24 1HG2 VAL 24 7.489 4.924 3.181 172 2HG2 VAL 24 2HG2 VAL 24 7.296 3.511 4.247 173 3HG2 VAL 24 3HG2 VAL 24 8.369 3.417 2.829 174 H LEU 25 HN LEU 25 3.908 4.221 1.302 175 HA LEU 25 HA LEU 25 2.956 2.331 -0.597 176 1HB LEU 25 2HB LEU 25 1.499 4.513 0.901 177 2HB LEU 25 3HB LEU 25 0.755 3.188 0.026 178 HG LEU 25 HG LEU 25 2.461 1.887 1.785 179 1HD1 LEU 25 1HD1 LEU 25 2.203 2.823 3.954 180 2HD1 LEU 25 2HD1 LEU 25 2.819 4.118 2.899 181 3HD1 LEU 25 3HD1 LEU 25 1.099 4.084 3.355 182 1HD2 LEU 25 1HD2 LEU 25 0.424 1.186 2.915 183 2HD2 LEU 25 2HD2 LEU 25 -0.475 2.528 2.170 184 3HD2 LEU 25 3HD2 LEU 25 0.183 1.224 1.152 185 H GLU 26 HN GLU 26 3.748 2.811 -2.659 186 HA GLU 26 HA GLU 26 2.858 5.397 -3.677 187 1HB GLU 26 2HB GLU 26 5.210 3.680 -4.590 188 2HB GLU 26 3HB GLU 26 4.703 5.165 -5.368 189 1HG GLU 26 2HG GLU 26 5.185 5.286 -2.402 190 2HG GLU 26 3HG GLU 26 6.596 5.101 -3.424 191 H MET 27 HN MET 27 3.121 4.916 -6.434 192 HA MET 27 HA MET 27 0.926 3.073 -6.776 193 1HB MET 27 2HB MET 27 0.793 4.148 -9.050 194 2HB MET 27 3HB MET 27 0.762 5.345 -7.770 195 1HG MET 27 2HG MET 27 2.621 6.339 -8.613 196 2HG MET 27 3HG MET 27 3.528 4.849 -8.438 197 1HE MET 27 1HE MET 27 1.819 6.901 -11.929 198 2HE MET 27 2HE MET 27 2.310 7.407 -10.295 199 3HE MET 27 3HE MET 27 3.546 7.073 -11.533 200 H VAL 28 HN VAL 28 1.046 1.135 -7.902 201 HA VAL 28 HA VAL 28 3.623 0.558 -9.189 202 HB VAL 28 HB VAL 28 3.801 -1.479 -8.157 203 1HG1 VAL 28 1HG1 VAL 28 3.693 0.624 -6.536 204 2HG1 VAL 28 2HG1 VAL 28 2.306 -0.267 -5.865 205 3HG1 VAL 28 3HG1 VAL 28 3.914 -1.028 -5.909 206 1HG2 VAL 28 1HG2 VAL 28 0.856 -1.418 -8.166 207 2HG2 VAL 28 2HG2 VAL 28 1.979 -2.785 -8.360 208 3HG2 VAL 28 3HG2 VAL 28 1.566 -2.196 -6.732 209 HA PRO 29 HA PRO 29 1.263 -0.929 -12.493 210 1HB PRO 29 2HB PRO 29 2.557 -3.177 -13.351 211 2HB PRO 29 3HB PRO 29 3.111 -1.555 -13.714 212 1HG PRO 29 2HG PRO 29 4.205 -3.497 -11.771 213 2HG PRO 29 3HG PRO 29 4.970 -2.074 -12.450 214 1HD PRO 29 2HD PRO 29 3.851 -2.333 -9.821 215 2HD PRO 29 3HD PRO 29 4.511 -0.877 -10.541 216 H TRP 30 HN TRP 30 -0.805 -1.507 -12.374 217 HA TRP 30 HA TRP 30 -1.242 -4.255 -11.468 218 1HB TRP 30 2HB TRP 30 -1.598 -2.864 -9.513 219 2HB TRP 30 3HB TRP 30 -2.683 -1.819 -10.408 220 HD1 TRP 30 HD1 TRP 30 -5.170 -2.366 -9.867 221 HE1 TRP 30 HE1 TRP 30 -6.648 -4.447 -9.198 222 HE3 TRP 30 HE3 TRP 30 -1.378 -5.752 -9.960 223 HZ2 TRP 30 HZ2 TRP 30 -6.078 -7.214 -8.795 224 HZ3 TRP 30 HZ3 TRP 30 -1.924 -8.122 -9.417 225 HH2 TRP 30 HH2 TRP 30 -4.180 -8.873 -8.848 226 H ASP 31 HN ASP 31 -3.755 -4.733 -11.954 227 HA ASP 31 HA ASP 31 -4.518 -3.303 -14.355 228 1HB ASP 31 2HB ASP 31 -3.211 -5.600 -14.709 229 2HB ASP 31 3HB ASP 31 -4.744 -6.322 -14.265 230 H GLY 32 HN GLY 32 -5.871 -2.631 -12.214 231 1HA GLY 32 1HA GLY 32 -8.405 -4.044 -12.400 232 2HA GLY 32 2HA GLY 32 -7.620 -4.098 -10.835 233 H CYS 33 HN CYS 33 -6.311 -1.426 -11.121 234 HA CYS 33 HA CYS 33 -8.490 0.102 -10.142 235 1HB CYS 33 2HB CYS 33 -5.650 0.208 -10.004 236 2HB CYS 33 3HB CYS 33 -6.178 1.728 -10.697 237 HG CYS 33 HG CYS 33 -6.358 0.546 -7.763 238 H LYS 34 HN LYS 34 -8.745 2.480 -11.082 239 HA LYS 34 HA LYS 34 -9.661 2.205 -13.723 240 1HB LYS 34 2HB LYS 34 -10.125 3.918 -11.619 241 2HB LYS 34 3HB LYS 34 -9.241 4.946 -12.728 242 1HG LYS 34 2HG LYS 34 -11.492 3.208 -13.778 243 2HG LYS 34 3HG LYS 34 -11.872 4.708 -12.955 244 1HD LYS 34 2HD LYS 34 -10.494 5.989 -14.554 245 2HD LYS 34 3HD LYS 34 -9.956 4.510 -15.326 246 1HE LYS 34 2HE LYS 34 -11.708 4.816 -16.755 247 2HE LYS 34 3HE LYS 34 -12.713 4.218 -15.450 248 1HZ LYS 34 1HZ LYS 34 -12.416 6.889 -16.421 249 2HZ LYS 34 2HZ LYS 34 -13.681 6.192 -15.657 250 3HZ LYS 34 3HZ LYS 34 -12.426 6.779 -14.791 251 H ALA 35 HN ALA 35 -6.563 3.074 -12.300 252 HA ALA 35 HA ALA 35 -5.635 3.869 -14.977 253 1HB ALA 35 1HB ALA 35 -5.363 5.717 -13.496 254 2HB ALA 35 2HB ALA 35 -4.770 4.675 -12.180 255 3HB ALA 35 3HB ALA 35 -3.755 4.961 -13.614 256 H GLY 36 HN GLY 36 -6.065 1.115 -13.730 257 1HA GLY 36 1HA GLY 36 -4.934 -0.816 -13.387 258 2HA GLY 36 2HA GLY 36 -4.044 -0.297 -14.805 259 H GLN 37 HN GLN 37 -4.134 0.934 -11.383 260 HA GLN 37 HA GLN 37 -1.405 0.079 -11.073 261 1HB GLN 37 2HB GLN 37 -0.710 2.386 -10.283 262 2HB GLN 37 3HB GLN 37 -1.003 2.262 -12.007 263 1HG GLN 37 2HG GLN 37 -2.483 3.969 -11.823 264 2HG GLN 37 3HG GLN 37 -3.531 2.907 -10.906 265 1HE2 GLN 37 1HE2 GLN 37 -3.946 3.338 -8.861 266 2HE2 GLN 37 2HE2 GLN 37 -3.146 4.511 -7.869 267 H ILE 38 HN ILE 38 -1.275 -0.873 -9.089 268 HA ILE 38 HA ILE 38 -3.322 -0.156 -7.138 269 HB ILE 38 HB ILE 38 -2.823 -2.539 -7.971 270 1HG1 ILE 38 2HG1 ILE 38 -2.855 -3.057 -5.211 271 2HG1 ILE 38 3HG1 ILE 38 -3.599 -1.479 -5.381 272 1HG2 ILE 38 1HG2 ILE 38 -1.106 -3.637 -6.372 273 2HG2 ILE 38 2HG2 ILE 38 -0.523 -2.797 -7.828 274 3HG2 ILE 38 3HG2 ILE 38 -0.425 -1.998 -6.240 275 1HD1 ILE 38 1HD1 ILE 38 -4.383 -3.858 -7.119 276 2HD1 ILE 38 2HD1 ILE 38 -5.192 -3.466 -5.583 277 3HD1 ILE 38 3HD1 ILE 38 -5.251 -2.314 -6.938 278 H ALA 39 HN ALA 39 -2.841 0.648 -5.086 279 HA ALA 39 HA ALA 39 -0.302 1.975 -4.907 280 1HB ALA 39 1HB ALA 39 -2.491 2.996 -4.239 281 2HB ALA 39 2HB ALA 39 -2.597 1.813 -2.914 282 3HB ALA 39 3HB ALA 39 -1.281 3.010 -2.934 283 H SER 40 HN SER 40 1.443 0.686 -4.465 284 HA SER 40 HA SER 40 1.181 -0.933 -2.065 285 1HB SER 40 2HB SER 40 2.574 -1.800 -4.638 286 2HB SER 40 3HB SER 40 2.600 -2.697 -3.132 287 HG SER 40 HG SER 40 0.927 -3.271 -4.868 288 H SER 41 HN SER 41 3.752 -1.813 -1.709 289 HA SER 41 HA SER 41 5.288 0.665 -1.845 290 1HB SER 41 2HB SER 41 5.646 -1.490 0.269 291 2HB SER 41 3HB SER 41 6.262 0.151 0.294 292 HG SER 41 HG SER 41 3.982 0.882 0.365 293 HA PRO 42 HA PRO 42 7.631 -2.390 -4.173 294 1HB PRO 42 2HB PRO 42 8.489 -0.708 -6.148 295 2HB PRO 42 3HB PRO 42 7.020 -1.655 -6.268 296 1HG PRO 42 2HG PRO 42 7.319 1.240 -5.753 297 2HG PRO 42 3HG PRO 42 5.902 0.362 -6.293 298 1HD PRO 42 2HD PRO 42 6.403 1.355 -3.649 299 2HD PRO 42 3HD PRO 42 5.042 0.377 -4.161 300 H ARG 43 HN ARG 43 8.913 0.908 -4.167 301 HA ARG 43 HA ARG 43 11.409 -0.259 -3.315 302 1HB ARG 43 2HB ARG 43 10.801 2.638 -4.090 303 2HB ARG 43 3HB ARG 43 12.395 1.932 -3.901 304 1HG ARG 43 2HG ARG 43 10.346 0.927 -5.931 305 2HG ARG 43 3HG ARG 43 11.572 2.120 -6.312 306 1HD ARG 43 2HD ARG 43 12.966 0.388 -6.791 307 2HD ARG 43 3HD ARG 43 13.039 0.069 -5.069 308 HE ARG 43 HE ARG 43 11.522 -1.730 -5.334 309 1HH1 ARG 43 1HH1 ARG 43 10.193 -3.033 -8.285 310 2HH1 ARG 43 2HH1 ARG 43 10.436 -3.299 -6.590 311 1HH2 ARG 43 1HH2 ARG 43 10.972 -1.085 -9.278 312 2HH2 ARG 43 2HH2 ARG 43 11.796 0.103 -8.325 313 H THR 44 HN THR 44 10.611 -0.719 -1.088 314 HA THR 44 HA THR 44 9.975 1.617 0.530 315 HB THR 44 HB THR 44 10.100 -1.374 1.190 316 HG1 THR 44 1HG THR 44 8.057 -1.322 0.303 317 1HG2 THR 44 1HG2 THR 44 9.059 1.099 2.625 318 2HG2 THR 44 2HG2 THR 44 8.274 -0.479 2.873 319 3HG2 THR 44 3HG2 THR 44 9.990 -0.263 3.295 320 H GLU 45 HN GLU 45 12.698 1.162 -0.737 321 HA GLU 45 HA GLU 45 14.494 0.293 1.122 322 1HB GLU 45 2HB GLU 45 16.159 1.436 -0.170 323 2HB GLU 45 3HB GLU 45 14.913 0.950 -1.304 324 1HG GLU 45 2HG GLU 45 13.952 3.198 -1.328 325 2HG GLU 45 3HG GLU 45 14.983 3.711 -0.007 326 H ASP 46 HN ASP 46 12.643 3.313 0.974 327 HA ASP 46 HA ASP 46 14.192 4.289 3.237 328 1HB ASP 46 2HB ASP 46 12.482 5.634 1.125 329 2HB ASP 46 3HB ASP 46 12.753 6.443 2.655 330 H CYS 47 HN CYS 47 13.172 4.000 5.225 331 HA CYS 47 HA CYS 47 10.764 4.841 5.965 332 1HB CYS 47 2HB CYS 47 9.433 3.618 4.496 333 2HB CYS 47 3HB CYS 47 10.446 2.191 4.580 334 H VAL 48 HN VAL 48 11.199 4.880 8.142 335 HA VAL 48 HA VAL 48 12.718 2.621 9.232 336 HB VAL 48 HB VAL 48 13.346 4.192 11.013 337 1HG1 VAL 48 1HG1 VAL 48 14.921 5.497 9.726 338 2HG1 VAL 48 2HG1 VAL 48 14.733 3.901 8.959 339 3HG1 VAL 48 3HG1 VAL 48 13.928 5.326 8.257 340 1HG2 VAL 48 1HG2 VAL 48 11.183 5.725 9.995 341 2HG2 VAL 48 2HG2 VAL 48 12.248 6.099 11.372 342 3HG2 VAL 48 3HG2 VAL 48 12.666 6.678 9.741 343 H GLY 49 HN GLY 49 10.066 2.055 8.756 344 1HA GLY 49 1HA GLY 49 8.090 1.535 9.719 345 2HA GLY 49 2HA GLY 49 9.092 1.084 11.083 346 H CYS 50 HN CYS 50 7.604 4.015 9.537 347 HA CYS 50 HA CYS 50 7.468 5.223 12.182 348 1HB CYS 50 2HB CYS 50 7.529 7.259 11.181 349 2HB CYS 50 3HB CYS 50 8.280 6.349 9.885 350 H LYS 51 HN LYS 51 5.542 5.192 13.304 351 HA LYS 51 HA LYS 51 3.338 3.795 12.302 352 1HB LYS 51 2HB LYS 51 3.850 3.926 14.676 353 2HB LYS 51 3HB LYS 51 3.615 5.661 14.675 354 1HG LYS 51 2HG LYS 51 1.217 4.999 13.660 355 2HG LYS 51 3HG LYS 51 1.556 3.466 14.439 356 1HD LYS 51 2HD LYS 51 1.423 4.352 16.577 357 2HD LYS 51 3HD LYS 51 2.078 5.905 16.097 358 1HE LYS 51 2HE LYS 51 0.000 6.742 15.424 359 2HE LYS 51 3HE LYS 51 -0.623 5.161 14.994 360 1HZ LYS 51 1HZ LYS 51 -0.698 4.649 17.366 361 2HZ LYS 51 2HZ LYS 51 -0.209 6.165 17.724 362 3HZ LYS 51 3HZ LYS 51 -1.645 5.924 16.985 363 H ARG 52 HN ARG 52 2.299 4.478 10.482 364 HA ARG 52 HA ARG 52 0.877 6.923 10.712 365 1HB ARG 52 2HB ARG 52 3.378 7.061 9.431 366 2HB ARG 52 3HB ARG 52 2.257 6.894 8.094 367 1HG ARG 52 2HG ARG 52 2.325 9.230 8.417 368 2HG ARG 52 3HG ARG 52 0.867 8.770 9.273 369 1HD ARG 52 2HD ARG 52 2.000 8.855 11.427 370 2HD ARG 52 3HD ARG 52 3.572 8.998 10.668 371 HE ARG 52 HE ARG 52 1.676 11.138 9.954 372 1HH1 ARG 52 1HH1 ARG 52 3.494 13.526 11.735 373 2HH1 ARG 52 2HH1 ARG 52 2.221 13.264 10.591 374 1HH2 ARG 52 1HH2 ARG 52 4.647 11.717 12.622 375 2HH2 ARG 52 2HH2 ARG 52 4.234 10.105 12.139 376 H CYS 53 HN CYS 53 2.052 4.343 8.435 377 HA CYS 53 HA CYS 53 -0.223 4.387 6.815 378 1HB CYS 53 2HB CYS 53 0.642 1.954 6.292 379 2HB CYS 53 3HB CYS 53 1.538 3.361 5.758 380 H GLU 54 HN GLU 54 0.681 1.381 8.553 381 HA GLU 54 HA GLU 54 -0.657 -0.150 9.406 382 1HB GLU 54 2HB GLU 54 -0.678 2.256 11.138 383 2HB GLU 54 3HB GLU 54 -1.970 1.126 11.491 384 1HG GLU 54 2HG GLU 54 -0.401 -0.698 11.839 385 2HG GLU 54 3HG GLU 54 0.932 0.240 11.196 386 H THR 55 HN THR 55 -1.891 0.989 7.097 387 HA THR 55 HA THR 55 -4.595 0.245 7.593 388 HB THR 55 HB THR 55 -4.451 2.666 8.455 389 HG1 THR 55 1HG THR 55 -6.535 2.302 7.793 390 1HG2 THR 55 1HG2 THR 55 -3.415 4.177 7.078 391 2HG2 THR 55 2HG2 THR 55 -3.365 3.010 5.734 392 3HG2 THR 55 3HG2 THR 55 -4.819 4.002 5.998 393 H ALA 56 HN ALA 56 -2.652 -0.927 6.030 394 HA ALA 56 HA ALA 56 -2.563 0.032 3.406 395 1HB ALA 56 1HB ALA 56 -0.935 -1.545 3.856 396 2HB ALA 56 2HB ALA 56 -2.030 -2.556 4.829 397 3HB ALA 56 3HB ALA 56 -2.140 -2.579 3.053 398 H CYS 57 HN CYS 57 -4.839 -2.154 5.144 399 HA CYS 57 HA CYS 57 -7.046 -1.462 3.757 400 1HB CYS 57 2HB CYS 57 -5.362 -2.977 2.013 401 2HB CYS 57 3HB CYS 57 -6.747 -3.974 2.411 402 HA PRO 58 HA PRO 58 -8.615 -4.500 6.472 403 1HB PRO 58 2HB PRO 58 -10.783 -5.616 5.237 404 2HB PRO 58 3HB PRO 58 -10.821 -4.039 5.998 405 1HG PRO 58 2HG PRO 58 -10.737 -4.704 3.120 406 2HG PRO 58 3HG PRO 58 -11.197 -3.196 3.885 407 1HD PRO 58 2HD PRO 58 -8.714 -3.762 2.565 408 2HD PRO 58 3HD PRO 58 -9.130 -2.297 3.431 409 H THR 59 HN THR 59 -9.595 -6.925 6.674 410 HA THR 59 HA THR 59 -7.337 -8.497 5.860 411 HB THR 59 HB THR 59 -9.952 -9.102 7.335 412 HG1 THR 59 1HG THR 59 -8.127 -7.625 8.161 413 1HG2 THR 59 1HG2 THR 59 -9.355 -11.305 7.273 414 2HG2 THR 59 2HG2 THR 59 -7.940 -10.912 6.268 415 3HG2 THR 59 3HG2 THR 59 -7.809 -10.871 8.042 416 H ASP 60 HN ASP 60 -10.124 -7.446 4.259 417 HA ASP 60 HA ASP 60 -11.139 -9.586 3.021 418 1HB ASP 60 2HB ASP 60 -10.893 -6.746 2.495 419 2HB ASP 60 3HB ASP 60 -10.684 -7.605 0.981 420 H PHE 61 HN PHE 61 -7.900 -8.214 2.752 421 HA PHE 61 HA PHE 61 -7.264 -10.233 0.731 422 1HB PHE 61 2HB PHE 61 -7.026 -7.253 0.717 423 2HB PHE 61 3HB PHE 61 -5.516 -8.051 0.326 424 HD1 PHE 61 1HD PHE 61 -5.547 -9.774 -1.576 425 HD2 PHE 61 2HD PHE 61 -8.685 -6.996 -0.911 426 HE1 PHE 61 1HE PHE 61 -6.328 -10.089 -3.940 427 HE2 PHE 61 2HE PHE 61 -9.466 -7.312 -3.275 428 HZ PHE 61 HZ PHE 61 -8.278 -8.854 -4.762 429 H LEU 62 HN LEU 62 -5.753 -7.714 2.885 430 HA LEU 62 HA LEU 62 -3.317 -8.892 3.185 431 1HB LEU 62 2HB LEU 62 -5.002 -7.188 4.993 432 2HB LEU 62 3HB LEU 62 -3.436 -7.771 5.521 433 HG LEU 62 HG LEU 62 -3.168 -5.553 4.676 434 1HD1 LEU 62 1HD1 LEU 62 -2.134 -7.364 2.486 435 2HD1 LEU 62 2HD1 LEU 62 -1.426 -5.847 3.095 436 3HD1 LEU 62 3HD1 LEU 62 -1.432 -7.302 4.121 437 1HD2 LEU 62 1HD2 LEU 62 -4.021 -4.684 2.726 438 2HD2 LEU 62 2HD2 LEU 62 -4.114 -6.270 1.925 439 3HD2 LEU 62 3HD2 LEU 62 -5.302 -5.836 3.177 440 H SER 63 HN SER 63 -2.633 -10.830 3.909 441 HA SER 63 HA SER 63 -3.261 -11.940 6.267 442 1HB SER 63 2HB SER 63 -5.513 -12.216 4.534 443 2HB SER 63 3HB SER 63 -4.784 -13.806 4.637 444 HG SER 63 HG SER 63 -6.067 -12.272 6.633 445 H ILE 64 HN ILE 64 -0.985 -11.678 4.739 446 HA ILE 64 HA ILE 64 -0.399 -14.470 4.073 447 HB ILE 64 HB ILE 64 0.514 -12.069 2.485 448 1HG1 ILE 64 2HG1 ILE 64 -1.907 -12.588 2.207 449 2HG1 ILE 64 3HG1 ILE 64 -0.964 -12.763 0.740 450 1HG2 ILE 64 1HG2 ILE 64 2.161 -13.398 1.810 451 2HG2 ILE 64 2HG2 ILE 64 1.484 -14.792 2.686 452 3HG2 ILE 64 3HG2 ILE 64 0.929 -14.422 1.036 453 1HD1 ILE 64 1HD1 ILE 64 -1.464 -14.970 0.573 454 2HD1 ILE 64 2HD1 ILE 64 -1.015 -15.268 2.270 455 3HD1 ILE 64 3HD1 ILE 64 -2.654 -14.700 1.869 456 H ARG 65 HN ARG 65 1.026 -11.181 4.670 457 HA ARG 65 HA ARG 65 3.336 -12.441 5.775 458 1HB ARG 65 2HB ARG 65 2.642 -9.836 4.709 459 2HB ARG 65 3HB ARG 65 3.296 -9.606 6.318 460 1HG ARG 65 2HG ARG 65 5.124 -9.559 4.674 461 2HG ARG 65 3HG ARG 65 5.301 -10.963 5.707 462 1HD ARG 65 2HD ARG 65 3.653 -11.449 3.273 463 2HD ARG 65 3HD ARG 65 5.321 -11.028 2.936 464 HE ARG 65 HE ARG 65 4.364 -13.459 4.301 465 1HH1 ARG 65 1HH1 ARG 65 7.593 -14.764 4.518 466 2HH1 ARG 65 2HH1 ARG 65 5.903 -15.101 4.698 467 1HH2 ARG 65 1HH2 ARG 65 8.293 -12.647 3.874 468 2HH2 ARG 65 2HH2 ARG 65 7.125 -11.403 3.574 469 H VAL 66 HN VAL 66 0.800 -10.086 6.918 470 HA VAL 66 HA VAL 66 0.080 -9.561 8.946 471 HB VAL 66 HB VAL 66 0.549 -12.518 9.371 472 1HG1 VAL 66 1HG1 VAL 66 -1.647 -11.312 10.869 473 2HG1 VAL 66 2HG1 VAL 66 -0.333 -12.377 11.423 474 3HG1 VAL 66 3HG1 VAL 66 -0.068 -10.620 11.313 475 1HG2 VAL 66 1HG2 VAL 66 -2.106 -12.297 9.027 476 2HG2 VAL 66 2HG2 VAL 66 -1.579 -10.918 8.032 477 3HG2 VAL 66 3HG2 VAL 66 -0.974 -12.554 7.676 478 H TYR 67 HN TYR 67 2.282 -8.349 8.953 479 HA TYR 67 HA TYR 67 3.782 -9.301 11.300 480 1HB TYR 67 2HB TYR 67 5.780 -8.694 10.115 481 2HB TYR 67 3HB TYR 67 4.787 -9.334 8.820 482 HD1 TYR 67 HD1 TYR 67 4.543 -8.073 6.883 483 HD2 TYR 67 HD2 TYR 67 5.486 -6.073 10.546 484 HE1 TYR 67 HE1 TYR 67 4.766 -5.870 5.632 485 HE2 TYR 67 HE2 TYR 67 5.705 -3.878 9.283 486 HH TYR 67 HH TYR 67 4.669 -3.564 6.021 487 H LEU 68 HN LEU 68 2.522 -6.548 9.361 488 HA LEU 68 HA LEU 68 3.454 -4.393 10.599 489 1HB LEU 68 2HB LEU 68 1.255 -5.023 9.014 490 2HB LEU 68 3HB LEU 68 0.556 -4.234 10.414 491 HG LEU 68 HG LEU 68 0.896 -2.479 8.944 492 1HD1 LEU 68 1HD1 LEU 68 2.242 -1.036 10.085 493 2HD1 LEU 68 2HD1 LEU 68 2.154 -2.355 11.276 494 3HD1 LEU 68 3HD1 LEU 68 3.579 -2.203 10.221 495 1HD2 LEU 68 1HD2 LEU 68 3.545 -2.472 8.044 496 2HD2 LEU 68 2HD2 LEU 68 3.002 -4.160 7.883 497 3HD2 LEU 68 3HD2 LEU 68 2.081 -2.851 7.103 498 H GLY 69 HN GLY 69 4.028 -4.253 12.721 499 1HA GLY 69 1HA GLY 69 3.856 -4.277 14.963 500 2HA GLY 69 2HA GLY 69 2.211 -3.728 14.708 501 H ALA 70 HN ALA 70 4.049 -6.843 14.260 502 HA ALA 70 HA ALA 70 2.078 -8.131 15.985 503 1HB ALA 70 1HB ALA 70 2.481 -8.568 13.070 504 2HB ALA 70 2HB ALA 70 2.389 -10.039 14.068 505 3HB ALA 70 3HB ALA 70 1.050 -8.867 14.086 506 H GLU 71 HN GLU 71 4.927 -8.881 13.845 507 HA GLU 71 HA GLU 71 5.917 -10.712 15.751 508 1HB GLU 71 2HB GLU 71 6.444 -9.986 13.017 509 2HB GLU 71 3HB GLU 71 7.963 -9.906 13.887 510 1HG GLU 71 2HG GLU 71 7.693 -12.179 13.063 511 2HG GLU 71 3HG GLU 71 7.527 -12.214 14.807 512 H THR 72 HN THR 72 8.645 -10.303 15.962 513 HA THR 72 HA THR 72 8.979 -7.594 17.019 514 HB THR 72 HB THR 72 9.910 -8.624 19.135 515 HG1 THR 72 1HG THR 72 8.705 -10.956 17.815 516 1HG2 THR 72 1HG2 THR 72 7.836 -8.923 20.172 517 2HG2 THR 72 2HG2 THR 72 7.283 -8.141 18.673 518 3HG2 THR 72 3HG2 THR 72 7.200 -9.911 18.835 519 H THR 73 HN THR 73 9.966 -8.188 14.608 520 HA THR 73 HA THR 73 12.523 -9.444 14.747 521 HB THR 73 HB THR 73 11.132 -9.409 12.692 522 HG1 THR 73 1HG THR 73 12.927 -8.355 11.373 523 1HG2 THR 73 1HG2 THR 73 11.371 -6.417 13.115 524 2HG2 THR 73 2HG2 THR 73 11.343 -7.051 11.452 525 3HG2 THR 73 3HG2 THR 73 9.972 -7.357 12.544 526 H ARG 74 HN ARG 74 11.287 -6.189 15.329 527 HA ARG 74 HA ARG 74 13.945 -5.122 15.172 528 1HB ARG 74 2HB ARG 74 12.845 -2.949 15.672 529 2HB ARG 74 3HB ARG 74 12.027 -3.768 14.355 530 1HG ARG 74 2HG ARG 74 10.885 -4.598 16.914 531 2HG ARG 74 3HG ARG 74 10.880 -2.849 16.793 532 1HD ARG 74 2HD ARG 74 9.817 -4.693 14.599 533 2HD ARG 74 3HD ARG 74 8.805 -3.985 15.843 534 HE ARG 74 HE ARG 74 9.960 -2.601 13.538 535 1HH1 ARG 74 1HH1 ARG 74 8.676 0.495 14.505 536 2HH1 ARG 74 2HH1 ARG 74 9.407 -0.408 13.221 537 1HH2 ARG 74 1HH2 ARG 74 8.257 -0.525 16.547 538 2HH2 ARG 74 2HH2 ARG 74 8.676 -2.188 16.788 539 H SER 75 HN SER 75 11.771 -6.546 17.491 540 HA SER 75 HA SER 75 13.327 -5.386 19.665 541 1HB SER 75 2HB SER 75 10.524 -5.727 19.325 542 2HB SER 75 3HB SER 75 10.993 -6.907 20.532 543 HG SER 75 HG SER 75 12.256 -4.930 21.470 544 H MET 76 HN MET 76 13.360 -7.987 17.654 545 HA MET 76 HA MET 76 13.186 -10.275 18.928 546 1HB MET 76 2HB MET 76 14.860 -9.152 16.805 547 2HB MET 76 3HB MET 76 15.790 -10.339 17.699 548 1HG MET 76 2HG MET 76 12.965 -10.957 16.743 549 2HG MET 76 3HG MET 76 14.346 -11.177 15.687 550 1HE MET 76 1HE MET 76 14.065 -14.672 16.205 551 2HE MET 76 2HE MET 76 12.554 -14.130 16.974 552 3HE MET 76 3HE MET 76 13.181 -13.277 15.543 553 H GLY 77 HN GLY 77 15.873 -7.906 19.383 554 1HA GLY 77 1HA GLY 77 16.388 -8.994 22.016 555 2HA GLY 77 2HA GLY 77 17.680 -9.247 20.858 556 H LEU 78 HN LEU 78 15.497 -6.426 20.676 557 HA LEU 78 HA LEU 78 17.808 -4.715 21.031 558 1HB LEU 78 2HB LEU 78 16.757 -3.813 19.292 559 2HB LEU 78 3HB LEU 78 15.232 -4.591 19.671 560 HG LEU 78 HG LEU 78 15.124 -2.113 19.660 561 1HD1 LEU 78 1HD1 LEU 78 14.494 -2.514 22.461 562 2HD1 LEU 78 2HD1 LEU 78 13.412 -2.272 21.067 563 3HD1 LEU 78 3HD1 LEU 78 13.986 -3.907 21.476 564 1HD2 LEU 78 1HD2 LEU 78 16.189 -1.451 22.180 565 2HD2 LEU 78 2HD2 LEU 78 17.452 -2.380 21.337 566 3HD2 LEU 78 3HD2 LEU 78 16.758 -0.927 20.577 567 H ALA 79 HN ALA 79 14.797 -5.690 22.666 568 HA ALA 79 HA ALA 79 15.720 -4.173 24.992 569 1HB ALA 79 1HB ALA 79 13.053 -3.902 25.278 570 2HB ALA 79 2HB ALA 79 14.053 -2.697 24.431 571 3HB ALA 79 3HB ALA 79 13.142 -3.911 23.500 572 H TYR 80 HN TYR 80 13.510 -6.687 23.617 573 HA TYR 80 HA TYR 80 13.386 -7.986 26.210 574 1HB TYR 80 2HB TYR 80 12.346 -9.055 23.549 575 2HB TYR 80 3HB TYR 80 11.591 -9.180 25.126 576 HD1 TYR 80 HD1 TYR 80 11.590 -6.331 26.002 577 HD2 TYR 80 HD2 TYR 80 10.711 -8.068 22.193 578 HE1 TYR 80 HE1 TYR 80 10.095 -4.353 25.437 579 HE2 TYR 80 HE2 TYR 80 9.219 -6.084 21.641 580 HH TYR 80 HH TYR 80 7.871 -4.402 23.048 Start of MODEL 5 1 H SER 1 HN SER 1 -5.548 -4.519 9.106 2 HA SER 1 HA SER 1 -3.980 -2.258 9.164 3 1HB SER 1 2HB SER 1 -5.985 -1.972 11.043 4 2HB SER 1 3HB SER 1 -4.723 -2.714 12.007 5 HG SER 1 HG SER 1 -3.766 -0.674 10.347 6 H HIS 2 HN HIS 2 -2.855 -4.298 8.358 7 HA HIS 2 HA HIS 2 -1.231 -5.314 10.455 8 1HB HIS 2 2HB HIS 2 -2.216 -7.678 9.147 9 2HB HIS 2 3HB HIS 2 -2.132 -7.303 10.857 10 HD1 HIS 2 HD1 HIS 2 -4.471 -7.024 7.881 11 HD2 HIS 2 HD2 HIS 2 -4.550 -6.582 12.051 12 HE1 HIS 2 HE1 HIS 2 -6.928 -6.801 8.529 13 H SER 3 HN SER 3 0.765 -5.207 9.568 14 HA SER 3 HA SER 3 2.383 -5.253 8.125 15 1HB SER 3 2HB SER 3 2.189 -7.553 7.746 16 2HB SER 3 3HB SER 3 0.594 -7.415 7.035 17 HG SER 3 HG SER 3 3.145 -6.811 5.833 18 H VAL 4 HN VAL 4 3.111 -4.433 5.969 19 HA VAL 4 HA VAL 4 0.984 -3.287 4.343 20 HB VAL 4 HB VAL 4 1.547 -1.604 6.039 21 1HG1 VAL 4 1HG1 VAL 4 4.344 -2.096 5.038 22 2HG1 VAL 4 2HG1 VAL 4 3.891 -0.502 5.689 23 3HG1 VAL 4 3HG1 VAL 4 3.745 -1.954 6.708 24 1HG2 VAL 4 1HG2 VAL 4 1.918 -1.235 3.132 25 2HG2 VAL 4 2HG2 VAL 4 0.858 -0.377 4.277 26 3HG2 VAL 4 3HG2 VAL 4 2.575 0.076 4.144 27 H LYS 5 HN LYS 5 2.566 -5.585 3.851 28 HA LYS 5 HA LYS 5 4.910 -4.938 2.423 29 1HB LYS 5 2HB LYS 5 3.382 -7.301 3.138 30 2HB LYS 5 3HB LYS 5 3.924 -7.393 1.474 31 1HG LYS 5 2HG LYS 5 5.810 -6.573 3.721 32 2HG LYS 5 3HG LYS 5 5.544 -8.258 3.316 33 1HD LYS 5 2HD LYS 5 6.371 -6.198 1.226 34 2HD LYS 5 3HD LYS 5 7.546 -7.087 2.173 35 1HE LYS 5 2HE LYS 5 6.858 -9.202 1.256 36 2HE LYS 5 3HE LYS 5 5.363 -8.538 0.629 37 1HZ LYS 5 1HZ LYS 5 8.066 -8.195 -0.392 38 2HZ LYS 5 2HZ LYS 5 6.701 -8.584 -1.199 39 3HZ LYS 5 3HZ LYS 5 6.948 -7.048 -0.707 40 H ILE 6 HN ILE 6 4.881 -5.987 -0.049 41 HA ILE 6 HA ILE 6 3.229 -4.086 -1.456 42 HB ILE 6 HB ILE 6 5.424 -5.976 -2.290 43 1HG1 ILE 6 2HG1 ILE 6 6.307 -3.512 -2.902 44 2HG1 ILE 6 3HG1 ILE 6 5.250 -3.090 -1.569 45 1HG2 ILE 6 1HG2 ILE 6 4.726 -3.976 -4.269 46 2HG2 ILE 6 2HG2 ILE 6 4.928 -5.736 -4.443 47 3HG2 ILE 6 3HG2 ILE 6 3.358 -5.066 -3.937 48 1HD1 ILE 6 1HD1 ILE 6 7.588 -3.591 -0.822 49 2HD1 ILE 6 2HD1 ILE 6 6.393 -4.687 -0.087 50 3HD1 ILE 6 3HD1 ILE 6 7.404 -5.251 -1.439 51 H TYR 7 HN TYR 7 1.176 -4.561 -2.006 52 HA TYR 7 HA TYR 7 0.642 -7.141 -3.199 53 1HB TYR 7 2HB TYR 7 -0.734 -5.992 -0.691 54 2HB TYR 7 3HB TYR 7 -1.315 -7.403 -1.553 55 HD1 TYR 7 HD1 TYR 7 0.095 -6.640 1.376 56 HD2 TYR 7 HD2 TYR 7 1.031 -9.016 -2.058 57 HE1 TYR 7 HE1 TYR 7 1.582 -8.130 2.803 58 HE2 TYR 7 HE2 TYR 7 2.515 -10.497 -0.620 59 HH TYR 7 HH TYR 7 2.343 -10.649 2.584 60 H ASP 8 HN ASP 8 -1.520 -7.204 -4.243 61 HA ASP 8 HA ASP 8 -2.110 -4.595 -5.254 62 1HB ASP 8 2HB ASP 8 -3.468 -5.761 -6.896 63 2HB ASP 8 3HB ASP 8 -1.969 -6.650 -6.710 64 H THR 9 HN THR 9 -2.752 -4.806 -2.492 65 HA THR 9 HA THR 9 -5.578 -5.450 -2.296 66 HB THR 9 HB THR 9 -3.929 -6.126 -0.528 67 HG1 THR 9 1HG THR 9 -5.712 -5.727 0.719 68 1HG2 THR 9 1HG2 THR 9 -3.018 -3.412 -0.832 69 2HG2 THR 9 2HG2 THR 9 -3.746 -3.547 0.787 70 3HG2 THR 9 3HG2 THR 9 -2.419 -4.635 0.314 71 H CYS 10 HN CYS 10 -6.574 -3.931 -3.667 72 HA CYS 10 HA CYS 10 -6.905 -1.389 -2.367 73 1HB CYS 10 2HB CYS 10 -4.918 -1.306 -4.124 74 2HB CYS 10 3HB CYS 10 -6.226 -1.203 -5.284 75 H ILE 11 HN ILE 11 -9.088 -0.931 -2.470 76 HA ILE 11 HA ILE 11 -10.615 -2.371 -4.523 77 HB ILE 11 HB ILE 11 -12.392 -2.552 -3.039 78 1HG1 ILE 11 2HG1 ILE 11 -12.333 -0.180 -2.271 79 2HG1 ILE 11 3HG1 ILE 11 -12.703 -1.337 -1.008 80 1HG2 ILE 11 1HG2 ILE 11 -11.296 -3.408 -0.871 81 2HG2 ILE 11 2HG2 ILE 11 -10.852 -4.186 -2.409 82 3HG2 ILE 11 3HG2 ILE 11 -9.752 -3.004 -1.659 83 1HD1 ILE 11 1HD1 ILE 11 -10.045 -1.297 -0.653 84 2HD1 ILE 11 2HD1 ILE 11 -10.213 0.302 -1.418 85 3HD1 ILE 11 3HD1 ILE 11 -11.095 -0.063 0.085 86 H GLY 12 HN GLY 12 -9.452 0.689 -3.468 87 1HA GLY 12 1HA GLY 12 -9.759 2.465 -5.100 88 2HA GLY 12 2HA GLY 12 -11.456 2.033 -5.183 89 H CYS 13 HN CYS 13 -9.354 2.239 -2.245 90 HA CYS 13 HA CYS 13 -11.180 4.319 -1.285 91 1HB CYS 13 2HB CYS 13 -11.360 3.240 0.664 92 2HB CYS 13 3HB CYS 13 -10.617 1.862 -0.125 93 H THR 14 HN THR 14 -9.960 5.761 0.467 94 HA THR 14 HA THR 14 -7.285 6.361 -0.618 95 HB THR 14 HB THR 14 -8.928 8.095 -1.212 96 HG1 THR 14 1HG THR 14 -7.792 9.272 1.109 97 1HG2 THR 14 1HG2 THR 14 -10.066 9.386 0.612 98 2HG2 THR 14 2HG2 THR 14 -10.640 7.702 0.559 99 3HG2 THR 14 3HG2 THR 14 -9.469 8.205 1.803 100 H GLN 15 HN GLN 15 -7.101 4.421 1.143 101 HA GLN 15 HA GLN 15 -6.244 5.855 3.523 102 1HB GLN 15 2HB GLN 15 -7.395 4.513 4.983 103 2HB GLN 15 3HB GLN 15 -8.479 4.329 3.618 104 1HG GLN 15 2HG GLN 15 -7.178 2.273 2.917 105 2HG GLN 15 3HG GLN 15 -6.195 2.438 4.360 106 1HE2 GLN 15 1HE2 GLN 15 -7.070 0.225 4.640 107 2HE2 GLN 15 2HE2 GLN 15 -8.558 0.021 5.503 108 H CYS 16 HN CYS 16 -4.296 5.068 4.474 109 HA CYS 16 HA CYS 16 -2.548 3.674 4.722 110 1HB CYS 16 2HB CYS 16 -2.426 1.599 3.824 111 2HB CYS 16 3HB CYS 16 -4.103 1.903 3.415 112 H VAL 17 HN VAL 17 -3.560 4.959 1.528 113 HA VAL 17 HA VAL 17 -0.791 5.471 0.809 114 HB VAL 17 HB VAL 17 -3.274 6.177 -0.745 115 1HG1 VAL 17 1HG1 VAL 17 -1.644 5.700 -2.667 116 2HG1 VAL 17 2HG1 VAL 17 -1.371 7.179 -1.714 117 3HG1 VAL 17 3HG1 VAL 17 -0.361 5.740 -1.432 118 1HG2 VAL 17 1HG2 VAL 17 -3.592 3.867 -0.277 119 2HG2 VAL 17 2HG2 VAL 17 -2.903 3.951 -1.916 120 3HG2 VAL 17 3HG2 VAL 17 -1.870 3.501 -0.539 121 H ARG 18 HN ARG 18 -2.001 6.778 3.181 122 HA ARG 18 HA ARG 18 -1.725 9.500 2.200 123 1HB ARG 18 2HB ARG 18 -3.957 8.288 3.698 124 2HB ARG 18 3HB ARG 18 -3.296 9.672 4.544 125 1HG ARG 18 2HG ARG 18 -4.939 10.621 3.118 126 2HG ARG 18 3HG ARG 18 -3.433 10.930 2.276 127 1HD ARG 18 2HD ARG 18 -4.237 8.360 1.383 128 2HD ARG 18 3HD ARG 18 -5.720 9.293 1.437 129 HE ARG 18 HE ARG 18 -3.890 11.007 0.218 130 1HH1 ARG 18 1HH1 ARG 18 -4.002 9.836 -3.068 131 2HH1 ARG 18 2HH1 ARG 18 -3.595 11.172 -2.042 132 1HH2 ARG 18 1HH2 ARG 18 -4.845 7.880 -2.146 133 2HH2 ARG 18 2HH2 ARG 18 -5.067 7.755 -0.433 134 H ALA 19 HN ALA 19 -1.743 7.353 5.138 135 HA ALA 19 HA ALA 19 0.009 9.145 6.545 136 1HB ALA 19 1HB ALA 19 -1.912 7.505 7.387 137 2HB ALA 19 2HB ALA 19 -0.572 6.335 7.435 138 3HB ALA 19 3HB ALA 19 -0.479 7.834 8.389 139 H CYS 20 HN CYS 20 1.944 9.288 5.350 140 HA CYS 20 HA CYS 20 3.852 7.373 5.897 141 1HB CYS 20 2HB CYS 20 2.615 5.958 4.272 142 2HB CYS 20 3HB CYS 20 2.871 7.168 3.031 143 HA PRO 21 HA PRO 21 5.355 11.388 4.626 144 1HB PRO 21 2HB PRO 21 7.323 11.599 6.510 145 2HB PRO 21 3HB PRO 21 5.687 12.172 6.765 146 1HG PRO 21 2HG PRO 21 6.994 9.754 7.854 147 2HG PRO 21 3HG PRO 21 5.544 10.565 8.412 148 1HD PRO 21 2HD PRO 21 5.675 8.136 6.892 149 2HD PRO 21 3HD PRO 21 4.226 9.009 7.352 150 H LEU 22 HN LEU 22 7.297 8.571 5.376 151 HA LEU 22 HA LEU 22 9.590 9.325 4.058 152 1HB LEU 22 2HB LEU 22 8.289 6.669 4.588 153 2HB LEU 22 3HB LEU 22 9.794 6.776 3.697 154 HG LEU 22 HG LEU 22 10.249 6.279 6.012 155 1HD1 LEU 22 1HD1 LEU 22 11.172 9.027 6.211 156 2HD1 LEU 22 2HD1 LEU 22 12.093 7.521 5.985 157 3HD1 LEU 22 3HD1 LEU 22 11.410 8.365 4.576 158 1HD2 LEU 22 1HD2 LEU 22 9.476 7.447 7.859 159 2HD2 LEU 22 2HD2 LEU 22 9.089 8.903 6.912 160 3HD2 LEU 22 3HD2 LEU 22 8.064 7.454 6.775 161 H ASP 23 HN ASP 23 8.076 6.594 2.456 162 HA ASP 23 HA ASP 23 6.899 7.889 0.345 163 1HB ASP 23 2HB ASP 23 8.618 7.627 -1.431 164 2HB ASP 23 3HB ASP 23 9.135 8.763 -0.202 165 H VAL 24 HN VAL 24 6.534 5.574 2.029 166 HA VAL 24 HA VAL 24 6.965 3.378 0.123 167 HB VAL 24 HB VAL 24 7.081 3.577 3.098 168 1HG1 VAL 24 1HG1 VAL 24 5.600 1.881 3.309 169 2HG1 VAL 24 2HG1 VAL 24 5.747 1.398 1.602 170 3HG1 VAL 24 3HG1 VAL 24 6.971 0.875 2.784 171 1HG2 VAL 24 1HG2 VAL 24 9.145 2.646 2.867 172 2HG2 VAL 24 2HG2 VAL 24 8.645 1.596 1.518 173 3HG2 VAL 24 3HG2 VAL 24 8.995 3.317 1.225 174 H LEU 25 HN LEU 25 5.013 4.240 -1.007 175 HA LEU 25 HA LEU 25 2.826 2.774 -0.717 176 1HB LEU 25 2HB LEU 25 2.885 4.793 1.424 177 2HB LEU 25 3HB LEU 25 1.387 4.737 0.516 178 HG LEU 25 HG LEU 25 2.462 2.121 1.437 179 1HD1 LEU 25 1HD1 LEU 25 2.870 2.941 3.506 180 2HD1 LEU 25 2HD1 LEU 25 1.799 4.345 3.289 181 3HD1 LEU 25 3HD1 LEU 25 1.108 2.748 3.668 182 1HD2 LEU 25 1HD2 LEU 25 0.058 3.108 0.377 183 2HD2 LEU 25 2HD2 LEU 25 0.391 1.467 0.982 184 3HD2 LEU 25 3HD2 LEU 25 -0.295 2.695 2.072 185 H GLU 26 HN GLU 26 3.725 3.453 -2.946 186 HA GLU 26 HA GLU 26 2.249 5.833 -3.769 187 1HB GLU 26 2HB GLU 26 4.773 4.723 -5.072 188 2HB GLU 26 3HB GLU 26 3.940 6.202 -5.511 189 1HG GLU 26 2HG GLU 26 4.463 6.319 -2.680 190 2HG GLU 26 3HG GLU 26 5.945 5.807 -3.464 191 H MET 27 HN MET 27 2.433 5.472 -6.570 192 HA MET 27 HA MET 27 0.577 3.300 -6.840 193 1HB MET 27 2HB MET 27 1.636 5.392 -8.824 194 2HB MET 27 3HB MET 27 0.335 4.273 -9.179 195 1HG MET 27 2HG MET 27 -0.836 6.210 -8.503 196 2HG MET 27 3HG MET 27 -0.823 5.252 -7.036 197 1HE MET 27 1HE MET 27 -1.329 8.362 -6.709 198 2HE MET 27 2HE MET 27 -1.243 7.075 -5.484 199 3HE MET 27 3HE MET 27 -0.289 8.563 -5.280 200 H VAL 28 HN VAL 28 0.865 1.429 -8.109 201 HA VAL 28 HA VAL 28 3.495 1.136 -9.365 202 HB VAL 28 HB VAL 28 3.950 -0.864 -8.314 203 1HG1 VAL 28 1HG1 VAL 28 4.059 -0.378 -6.035 204 2HG1 VAL 28 2HG1 VAL 28 3.870 1.229 -6.774 205 3HG1 VAL 28 3HG1 VAL 28 2.470 0.424 -6.025 206 1HG2 VAL 28 1HG2 VAL 28 1.673 -1.840 -8.740 207 2HG2 VAL 28 2HG2 VAL 28 2.391 -2.294 -7.176 208 3HG2 VAL 28 3HG2 VAL 28 1.117 -1.052 -7.244 209 HA PRO 29 HA PRO 29 1.267 -0.760 -12.550 210 1HB PRO 29 2HB PRO 29 2.830 -2.839 -13.388 211 2HB PRO 29 3HB PRO 29 3.150 -1.169 -13.812 212 1HG PRO 29 2HG PRO 29 4.551 -2.884 -11.854 213 2HG PRO 29 3HG PRO 29 5.096 -1.392 -12.595 214 1HD PRO 29 2HD PRO 29 4.097 -1.717 -9.926 215 2HD PRO 29 3HD PRO 29 4.533 -0.210 -10.705 216 H TRP 30 HN TRP 30 -0.703 -1.591 -12.318 217 HA TRP 30 HA TRP 30 -0.728 -4.273 -11.112 218 1HB TRP 30 2HB TRP 30 -1.580 -2.627 -9.532 219 2HB TRP 30 3HB TRP 30 -2.722 -2.034 -10.721 220 HD1 TRP 30 HD1 TRP 30 -5.088 -2.903 -10.060 221 HE1 TRP 30 HE1 TRP 30 -6.213 -5.121 -9.178 222 HE3 TRP 30 HE3 TRP 30 -0.768 -5.554 -9.650 223 HZ2 TRP 30 HZ2 TRP 30 -5.193 -7.678 -8.425 224 HZ3 TRP 30 HZ3 TRP 30 -0.921 -7.904 -8.834 225 HH2 TRP 30 HH2 TRP 30 -3.037 -8.970 -8.231 226 H ASP 31 HN ASP 31 -3.825 -3.200 -11.938 227 HA ASP 31 HA ASP 31 -3.951 -3.222 -14.627 228 1HB ASP 31 2HB ASP 31 -3.031 -5.732 -13.864 229 2HB ASP 31 3HB ASP 31 -4.759 -6.007 -13.966 230 H GLY 32 HN GLY 32 -5.325 -5.052 -11.792 231 1HA GLY 32 1HA GLY 32 -8.010 -4.972 -12.515 232 2HA GLY 32 2HA GLY 32 -7.379 -5.107 -10.886 233 H CYS 33 HN CYS 33 -5.884 -2.364 -11.689 234 HA CYS 33 HA CYS 33 -7.915 -0.756 -10.466 235 1HB CYS 33 2HB CYS 33 -5.028 -0.620 -10.839 236 2HB CYS 33 3HB CYS 33 -5.790 0.913 -11.218 237 HG CYS 33 HG CYS 33 -5.049 -0.317 -8.499 238 H LYS 34 HN LYS 34 -8.727 1.271 -11.465 239 HA LYS 34 HA LYS 34 -9.606 0.890 -14.075 240 1HB LYS 34 2HB LYS 34 -9.981 2.762 -11.942 241 2HB LYS 34 3HB LYS 34 -9.681 3.666 -13.413 242 1HG LYS 34 2HG LYS 34 -11.996 3.326 -13.551 243 2HG LYS 34 3HG LYS 34 -11.398 1.988 -14.512 244 1HD LYS 34 2HD LYS 34 -11.545 1.317 -11.641 245 2HD LYS 34 3HD LYS 34 -13.102 1.797 -12.288 246 1HE LYS 34 2HE LYS 34 -11.714 0.018 -14.160 247 2HE LYS 34 3HE LYS 34 -11.838 -0.728 -12.580 248 1HZ LYS 34 1HZ LYS 34 -14.191 -0.282 -12.608 249 2HZ LYS 34 2HZ LYS 34 -14.086 0.447 -14.066 250 3HZ LYS 34 3HZ LYS 34 -13.774 -1.150 -13.926 251 H ALA 35 HN ALA 35 -6.600 2.159 -12.779 252 HA ALA 35 HA ALA 35 -5.884 3.049 -15.489 253 1HB ALA 35 1HB ALA 35 -4.072 4.333 -14.114 254 2HB ALA 35 2HB ALA 35 -5.738 4.958 -14.131 255 3HB ALA 35 3HB ALA 35 -5.147 4.034 -12.728 256 H GLY 36 HN GLY 36 -5.866 0.307 -13.972 257 1HA GLY 36 1HA GLY 36 -4.517 -1.484 -13.830 258 2HA GLY 36 2HA GLY 36 -3.640 -0.792 -15.179 259 H GLN 37 HN GLN 37 -4.011 0.715 -11.931 260 HA GLN 37 HA GLN 37 -1.287 -0.026 -11.320 261 1HB GLN 37 2HB GLN 37 -0.686 2.337 -10.772 262 2HB GLN 37 3HB GLN 37 -0.996 2.100 -12.479 263 1HG GLN 37 2HG GLN 37 -2.527 3.767 -12.378 264 2HG GLN 37 3HG GLN 37 -3.529 2.729 -11.384 265 1HE2 GLN 37 1HE2 GLN 37 -3.840 3.175 -9.302 266 2HE2 GLN 37 2HE2 GLN 37 -3.097 4.466 -8.417 267 H ILE 38 HN ILE 38 -1.201 -0.707 -9.221 268 HA ILE 38 HA ILE 38 -3.406 0.131 -7.485 269 HB ILE 38 HB ILE 38 -2.846 -2.332 -8.111 270 1HG1 ILE 38 2HG1 ILE 38 -3.182 -2.433 -5.260 271 2HG1 ILE 38 3HG1 ILE 38 -4.063 -1.050 -5.881 272 1HG2 ILE 38 1HG2 ILE 38 -1.290 -3.440 -6.619 273 2HG2 ILE 38 2HG2 ILE 38 -0.448 -2.182 -7.554 274 3HG2 ILE 38 3HG2 ILE 38 -0.876 -1.889 -5.852 275 1HD1 ILE 38 1HD1 ILE 38 -5.582 -2.899 -6.021 276 2HD1 ILE 38 2HD1 ILE 38 -5.017 -2.625 -7.686 277 3HD1 ILE 38 3HD1 ILE 38 -4.340 -3.962 -6.724 278 H ALA 39 HN ALA 39 -2.991 0.919 -5.366 279 HA ALA 39 HA ALA 39 -0.546 2.393 -5.197 280 1HB ALA 39 1HB ALA 39 -2.514 2.103 -2.935 281 2HB ALA 39 2HB ALA 39 -1.612 3.539 -3.478 282 3HB ALA 39 3HB ALA 39 -3.009 2.958 -4.415 283 H SER 40 HN SER 40 1.323 1.337 -4.713 284 HA SER 40 HA SER 40 1.291 -0.234 -2.296 285 1HB SER 40 2HB SER 40 2.492 -1.315 -4.883 286 2HB SER 40 3HB SER 40 2.519 -2.111 -3.321 287 HG SER 40 HG SER 40 0.443 -2.713 -3.530 288 H SER 41 HN SER 41 3.820 -0.992 -1.956 289 HA SER 41 HA SER 41 5.356 1.410 -2.576 290 1HB SER 41 2HB SER 41 6.654 0.852 -0.471 291 2HB SER 41 3HB SER 41 4.986 1.311 -0.198 292 HG SER 41 HG SER 41 5.846 -0.675 0.953 293 HA PRO 42 HA PRO 42 7.603 -1.817 -4.689 294 1HB PRO 42 2HB PRO 42 8.645 -0.235 -6.658 295 2HB PRO 42 3HB PRO 42 7.105 -1.056 -6.804 296 1HG PRO 42 2HG PRO 42 7.637 1.809 -6.309 297 2HG PRO 42 3HG PRO 42 6.162 1.048 -6.874 298 1HD PRO 42 2HD PRO 42 6.685 2.025 -4.228 299 2HD PRO 42 3HD PRO 42 5.258 1.161 -4.763 300 H ARG 43 HN ARG 43 9.086 1.394 -4.517 301 HA ARG 43 HA ARG 43 11.521 0.050 -3.766 302 1HB ARG 43 2HB ARG 43 11.033 3.033 -4.242 303 2HB ARG 43 3HB ARG 43 12.595 2.246 -4.135 304 1HG ARG 43 2HG ARG 43 10.530 1.446 -6.228 305 2HG ARG 43 3HG ARG 43 11.684 2.734 -6.511 306 1HD ARG 43 2HD ARG 43 13.043 1.060 -7.286 307 2HD ARG 43 3HD ARG 43 13.366 0.753 -5.591 308 HE ARG 43 HE ARG 43 11.979 -1.163 -5.669 309 1HH1 ARG 43 1HH1 ARG 43 10.386 -2.579 -8.432 310 2HH1 ARG 43 2HH1 ARG 43 10.868 -2.819 -6.786 311 1HH2 ARG 43 1HH2 ARG 43 10.867 -0.577 -9.503 312 2HH2 ARG 43 2HH2 ARG 43 11.710 0.677 -8.656 313 H THR 44 HN THR 44 10.778 -0.601 -1.590 314 HA THR 44 HA THR 44 10.175 1.567 0.257 315 HB THR 44 HB THR 44 10.157 -1.489 0.399 316 HG1 THR 44 1HG THR 44 8.227 -0.797 -0.488 317 1HG2 THR 44 1HG2 THR 44 8.699 -0.627 2.559 318 2HG2 THR 44 2HG2 THR 44 10.399 -1.143 2.682 319 3HG2 THR 44 3HG2 THR 44 10.000 0.588 2.557 320 H GLU 45 HN GLU 45 12.836 1.448 -1.023 321 HA GLU 45 HA GLU 45 14.644 0.349 0.792 322 1HB GLU 45 2HB GLU 45 16.324 1.381 -0.523 323 2HB GLU 45 3HB GLU 45 15.025 1.069 -1.657 324 1HG GLU 45 2HG GLU 45 14.242 3.404 -1.470 325 2HG GLU 45 3HG GLU 45 15.426 3.737 -0.222 326 H ASP 46 HN ASP 46 12.651 3.195 0.884 327 HA ASP 46 HA ASP 46 14.319 4.240 3.036 328 1HB ASP 46 2HB ASP 46 12.611 5.538 0.926 329 2HB ASP 46 3HB ASP 46 12.648 6.314 2.496 330 H CYS 47 HN CYS 47 13.400 3.675 5.015 331 HA CYS 47 HA CYS 47 11.111 4.501 6.021 332 1HB CYS 47 2HB CYS 47 9.571 3.623 4.538 333 2HB CYS 47 3HB CYS 47 10.502 2.167 4.242 334 H VAL 48 HN VAL 48 11.775 4.217 8.121 335 HA VAL 48 HA VAL 48 13.046 1.652 8.775 336 HB VAL 48 HB VAL 48 14.454 3.658 8.972 337 1HG1 VAL 48 1HG1 VAL 48 13.450 5.557 9.618 338 2HG1 VAL 48 2HG1 VAL 48 12.098 4.685 10.382 339 3HG1 VAL 48 3HG1 VAL 48 13.615 4.939 11.280 340 1HG2 VAL 48 1HG2 VAL 48 14.914 3.328 11.547 341 2HG2 VAL 48 2HG2 VAL 48 13.732 2.009 11.374 342 3HG2 VAL 48 3HG2 VAL 48 15.216 2.006 10.393 343 H GLY 49 HN GLY 49 10.355 1.436 8.584 344 1HA GLY 49 1HA GLY 49 8.436 1.053 9.707 345 2HA GLY 49 2HA GLY 49 9.497 0.449 10.964 346 H CYS 50 HN CYS 50 8.256 3.601 9.640 347 HA CYS 50 HA CYS 50 8.536 4.764 12.270 348 1HB CYS 50 2HB CYS 50 8.517 6.793 11.252 349 2HB CYS 50 3HB CYS 50 8.981 5.843 9.854 350 H LYS 51 HN LYS 51 6.814 5.015 13.689 351 HA LYS 51 HA LYS 51 4.521 3.575 13.443 352 1HB LYS 51 2HB LYS 51 3.631 5.063 15.242 353 2HB LYS 51 3HB LYS 51 5.224 4.410 15.564 354 1HG LYS 51 2HG LYS 51 6.238 6.562 14.700 355 2HG LYS 51 3HG LYS 51 4.621 7.209 14.500 356 1HD LYS 51 2HD LYS 51 4.906 7.981 16.637 357 2HD LYS 51 3HD LYS 51 4.468 6.349 17.103 358 1HE LYS 51 2HE LYS 51 6.521 6.028 18.010 359 2HE LYS 51 3HE LYS 51 7.279 6.336 16.460 360 1HZ LYS 51 1HZ LYS 51 6.814 8.162 18.652 361 2HZ LYS 51 2HZ LYS 51 8.102 8.039 17.656 362 3HZ LYS 51 3HZ LYS 51 6.743 8.785 17.145 363 H ARG 52 HN ARG 52 3.421 3.644 11.492 364 HA ARG 52 HA ARG 52 1.543 5.621 11.208 365 1HB ARG 52 2HB ARG 52 3.926 6.653 10.327 366 2HB ARG 52 3HB ARG 52 3.373 5.901 8.845 367 1HG ARG 52 2HG ARG 52 1.611 7.371 8.585 368 2HG ARG 52 3HG ARG 52 1.292 7.466 10.306 369 1HD ARG 52 2HD ARG 52 3.899 8.635 9.771 370 2HD ARG 52 3HD ARG 52 2.726 9.345 8.682 371 HE ARG 52 HE ARG 52 1.842 9.166 11.488 372 1HH1 ARG 52 1HH1 ARG 52 1.964 12.631 11.881 373 2HH1 ARG 52 2HH1 ARG 52 1.435 11.135 12.574 374 1HH2 ARG 52 1HH2 ARG 52 3.085 12.637 9.850 375 2HH2 ARG 52 2HH2 ARG 52 3.393 11.145 9.026 376 H CYS 53 HN CYS 53 0.953 5.536 8.460 377 HA CYS 53 HA CYS 53 -0.159 4.210 7.085 378 1HB CYS 53 2HB CYS 53 1.178 2.714 5.789 379 2HB CYS 53 3HB CYS 53 2.208 4.050 6.266 380 H GLU 54 HN GLU 54 -0.982 3.752 9.700 381 HA GLU 54 HA GLU 54 -0.992 0.856 9.952 382 1HB GLU 54 2HB GLU 54 -1.693 1.223 12.276 383 2HB GLU 54 3HB GLU 54 -0.242 2.145 11.936 384 1HG GLU 54 2HG GLU 54 -1.295 4.081 12.466 385 2HG GLU 54 3HG GLU 54 -2.526 3.784 11.255 386 H THR 55 HN THR 55 -2.503 1.491 7.844 387 HA THR 55 HA THR 55 -5.192 1.005 8.815 388 HB THR 55 HB THR 55 -4.926 3.528 8.678 389 HG1 THR 55 1HG THR 55 -6.513 2.228 6.577 390 1HG2 THR 55 1HG2 THR 55 -4.276 4.597 6.740 391 2HG2 THR 55 2HG2 THR 55 -3.493 3.048 6.348 392 3HG2 THR 55 3HG2 THR 55 -5.113 3.413 5.707 393 H ALA 56 HN ALA 56 -3.452 -0.833 7.715 394 HA ALA 56 HA ALA 56 -3.334 -1.064 5.007 395 1HB ALA 56 1HB ALA 56 -3.969 -3.350 6.907 396 2HB ALA 56 2HB ALA 56 -3.031 -3.411 5.396 397 3HB ALA 56 3HB ALA 56 -2.370 -2.572 6.819 398 H CYS 57 HN CYS 57 -4.649 -2.350 3.460 399 HA CYS 57 HA CYS 57 -7.133 -1.444 3.126 400 1HB CYS 57 2HB CYS 57 -5.535 -3.396 1.908 401 2HB CYS 57 3HB CYS 57 -7.023 -4.237 2.295 402 HA PRO 58 HA PRO 58 -9.610 -3.377 6.147 403 1HB PRO 58 2HB PRO 58 -12.087 -3.218 5.005 404 2HB PRO 58 3HB PRO 58 -11.321 -1.872 5.824 405 1HG PRO 58 2HG PRO 58 -11.675 -2.319 2.923 406 2HG PRO 58 3HG PRO 58 -11.311 -0.827 3.767 407 1HD PRO 58 2HD PRO 58 -9.471 -2.451 2.281 408 2HD PRO 58 3HD PRO 58 -9.086 -1.024 3.222 409 H THR 59 HN THR 59 -8.150 -5.291 5.152 410 HA THR 59 HA THR 59 -8.115 -7.489 4.817 411 HB THR 59 HB THR 59 -11.104 -7.646 5.338 412 HG1 THR 59 1HG THR 59 -10.630 -7.041 7.492 413 1HG2 THR 59 1HG2 THR 59 -9.348 -9.204 7.058 414 2HG2 THR 59 2HG2 THR 59 -10.573 -9.793 5.908 415 3HG2 THR 59 3HG2 THR 59 -8.908 -9.490 5.357 416 H ASP 60 HN ASP 60 -10.037 -9.274 3.661 417 HA ASP 60 HA ASP 60 -11.081 -9.749 1.773 418 1HB ASP 60 2HB ASP 60 -11.378 -7.053 1.630 419 2HB ASP 60 3HB ASP 60 -10.242 -7.257 0.311 420 H PHE 61 HN PHE 61 -8.075 -7.735 1.468 421 HA PHE 61 HA PHE 61 -7.037 -9.741 -0.408 422 1HB PHE 61 2HB PHE 61 -7.090 -6.784 -0.226 423 2HB PHE 61 3HB PHE 61 -5.443 -7.362 -0.374 424 HD1 PHE 61 1HD PHE 61 -5.058 -9.137 -2.291 425 HD2 PHE 61 2HD PHE 61 -8.316 -6.421 -2.153 426 HE1 PHE 61 1HE PHE 61 -5.367 -9.381 -4.770 427 HE2 PHE 61 2HE PHE 61 -8.624 -6.664 -4.632 428 HZ PHE 61 HZ PHE 61 -7.145 -8.142 -5.911 429 H LEU 62 HN LEU 62 -5.946 -7.353 2.118 430 HA LEU 62 HA LEU 62 -3.469 -8.506 2.538 431 1HB LEU 62 2HB LEU 62 -5.181 -6.520 3.783 432 2HB LEU 62 3HB LEU 62 -4.274 -7.423 4.979 433 HG LEU 62 HG LEU 62 -2.570 -6.617 2.762 434 1HD1 LEU 62 1HD1 LEU 62 -3.886 -4.720 2.391 435 2HD1 LEU 62 2HD1 LEU 62 -4.223 -4.496 4.124 436 3HD1 LEU 62 3HD1 LEU 62 -2.598 -4.154 3.482 437 1HD2 LEU 62 1HD2 LEU 62 -1.084 -6.668 4.408 438 2HD2 LEU 62 2HD2 LEU 62 -1.947 -5.389 5.293 439 3HD2 LEU 62 3HD2 LEU 62 -2.398 -7.094 5.531 440 H SER 63 HN SER 63 -3.265 -9.112 5.281 441 HA SER 63 HA SER 63 -3.669 -10.636 6.807 442 1HB SER 63 2HB SER 63 -6.160 -10.407 6.081 443 2HB SER 63 3HB SER 63 -5.899 -11.873 5.156 444 HG SER 63 HG SER 63 -5.235 -11.724 7.961 445 H ILE 64 HN ILE 64 -1.645 -10.941 4.975 446 HA ILE 64 HA ILE 64 -1.731 -13.823 4.422 447 HB ILE 64 HB ILE 64 -1.939 -12.535 2.358 448 1HG1 ILE 64 2HG1 ILE 64 -0.748 -14.725 2.440 449 2HG1 ILE 64 3HG1 ILE 64 -0.261 -13.690 1.114 450 1HG2 ILE 64 1HG2 ILE 64 -0.938 -10.467 2.738 451 2HG2 ILE 64 2HG2 ILE 64 0.564 -11.193 3.360 452 3HG2 ILE 64 3HG2 ILE 64 0.188 -11.276 1.622 453 1HD1 ILE 64 1HD1 ILE 64 1.514 -12.898 3.083 454 2HD1 ILE 64 2HD1 ILE 64 1.307 -14.628 3.449 455 3HD1 ILE 64 3HD1 ILE 64 1.863 -14.120 1.836 456 H ARG 65 HN ARG 65 0.187 -10.908 5.295 457 HA ARG 65 HA ARG 65 1.912 -12.706 6.764 458 1HB ARG 65 2HB ARG 65 2.715 -10.833 4.558 459 2HB ARG 65 3HB ARG 65 3.756 -10.840 5.967 460 1HG ARG 65 2HG ARG 65 3.004 -13.568 5.122 461 2HG ARG 65 3HG ARG 65 3.825 -12.682 3.851 462 1HD ARG 65 2HD ARG 65 5.644 -12.084 5.534 463 2HD ARG 65 3HD ARG 65 4.853 -13.134 6.694 464 HE ARG 65 HE ARG 65 5.131 -14.819 4.562 465 1HH1 ARG 65 1HH1 ARG 65 8.533 -15.593 4.553 466 2HH1 ARG 65 2HH1 ARG 65 6.954 -16.098 4.052 467 1HH2 ARG 65 1HH2 ARG 65 8.796 -13.617 5.742 468 2HH2 ARG 65 2HH2 ARG 65 7.414 -12.648 6.129 469 H VAL 66 HN VAL 66 3.321 -11.390 8.389 470 HA VAL 66 HA VAL 66 1.774 -9.048 9.262 471 HB VAL 66 HB VAL 66 1.552 -11.069 10.677 472 1HG1 VAL 66 1HG1 VAL 66 3.487 -12.297 10.662 473 2HG1 VAL 66 2HG1 VAL 66 4.536 -10.859 10.679 474 3HG1 VAL 66 3HG1 VAL 66 3.732 -11.391 12.175 475 1HG2 VAL 66 1HG2 VAL 66 3.050 -9.321 12.502 476 2HG2 VAL 66 2HG2 VAL 66 1.923 -8.443 11.440 477 3HG2 VAL 66 3HG2 VAL 66 1.324 -9.755 12.484 478 H TYR 67 HN TYR 67 2.935 -7.212 9.993 479 HA TYR 67 HA TYR 67 5.817 -7.314 9.987 480 1HB TYR 67 2HB TYR 67 4.055 -6.304 7.779 481 2HB TYR 67 3HB TYR 67 5.234 -5.121 8.307 482 HD1 TYR 67 HD1 TYR 67 4.864 -8.569 6.958 483 HD2 TYR 67 HD2 TYR 67 7.519 -5.289 7.666 484 HE1 TYR 67 HE1 TYR 67 6.638 -9.685 5.519 485 HE2 TYR 67 HE2 TYR 67 9.284 -6.417 6.225 486 HH TYR 67 HH TYR 67 9.667 -9.115 5.631 487 H LEU 68 HN LEU 68 2.804 -5.314 10.023 488 HA LEU 68 HA LEU 68 3.854 -3.066 11.213 489 1HB LEU 68 2HB LEU 68 1.133 -4.346 11.279 490 2HB LEU 68 3HB LEU 68 1.462 -2.850 12.129 491 HG LEU 68 HG LEU 68 1.911 -3.227 9.157 492 1HD1 LEU 68 1HD1 LEU 68 -0.545 -2.632 10.690 493 2HD1 LEU 68 2HD1 LEU 68 -0.219 -1.560 9.306 494 3HD1 LEU 68 3HD1 LEU 68 -0.336 -3.320 9.062 495 1HD2 LEU 68 1HD2 LEU 68 3.216 -1.420 9.670 496 2HD2 LEU 68 2HD2 LEU 68 1.656 -0.610 9.390 497 3HD2 LEU 68 3HD2 LEU 68 2.205 -0.934 11.052 498 H GLY 69 HN GLY 69 2.287 -5.918 12.835 499 1HA GLY 69 1HA GLY 69 3.670 -5.101 15.316 500 2HA GLY 69 2HA GLY 69 2.156 -5.978 15.236 501 H ALA 70 HN ALA 70 5.607 -6.228 14.124 502 HA ALA 70 HA ALA 70 5.542 -9.027 14.964 503 1HB ALA 70 1HB ALA 70 6.086 -7.932 12.217 504 2HB ALA 70 2HB ALA 70 7.020 -9.340 12.779 505 3HB ALA 70 3HB ALA 70 5.244 -9.424 12.701 506 H GLU 71 HN GLU 71 7.689 -6.496 13.466 507 HA GLU 71 HA GLU 71 9.912 -7.453 14.906 508 1HB GLU 71 2HB GLU 71 9.369 -5.527 12.808 509 2HB GLU 71 3HB GLU 71 10.390 -4.776 14.018 510 1HG GLU 71 2HG GLU 71 11.800 -6.988 13.900 511 2HG GLU 71 3HG GLU 71 10.935 -7.294 12.407 512 H THR 72 HN THR 72 7.957 -4.388 15.103 513 HA THR 72 HA THR 72 7.908 -2.819 16.717 514 HB THR 72 HB THR 72 6.285 -4.650 17.386 515 HG1 THR 72 1HG THR 72 6.475 -3.872 19.755 516 1HG2 THR 72 1HG2 THR 72 6.999 -5.901 19.516 517 2HG2 THR 72 2HG2 THR 72 7.746 -6.497 18.015 518 3HG2 THR 72 3HG2 THR 72 8.676 -5.454 19.118 519 H THR 73 HN THR 73 10.599 -3.478 16.014 520 HA THR 73 HA THR 73 11.957 -3.511 18.607 521 HB THR 73 HB THR 73 12.644 -5.093 16.756 522 HG1 THR 73 1HG THR 73 14.949 -4.198 16.883 523 1HG2 THR 73 1HG2 THR 73 12.342 -3.798 14.726 524 2HG2 THR 73 2HG2 THR 73 13.277 -2.435 15.385 525 3HG2 THR 73 3HG2 THR 73 14.100 -3.953 14.952 526 H ARG 74 HN ARG 74 11.295 -1.454 15.765 527 HA ARG 74 HA ARG 74 13.113 0.526 16.630 528 1HB ARG 74 2HB ARG 74 10.896 0.428 14.543 529 2HB ARG 74 3HB ARG 74 11.741 1.927 14.876 530 1HG ARG 74 2HG ARG 74 13.491 1.268 13.596 531 2HG ARG 74 3HG ARG 74 13.722 -0.155 14.592 532 1HD ARG 74 2HD ARG 74 11.721 -1.181 13.239 533 2HD ARG 74 3HD ARG 74 11.989 0.129 12.107 534 HE ARG 74 HE ARG 74 14.426 -1.361 12.809 535 1HH1 ARG 74 1HH1 ARG 74 14.626 -2.820 9.645 536 2HH1 ARG 74 2HH1 ARG 74 15.454 -2.533 11.138 537 1HH2 ARG 74 1HH2 ARG 74 12.471 -2.013 9.341 538 2HH2 ARG 74 2HH2 ARG 74 11.690 -1.125 10.607 539 H SER 75 HN SER 75 10.037 -0.504 17.694 540 HA SER 75 HA SER 75 9.673 2.051 19.030 541 1HB SER 75 2HB SER 75 7.940 0.993 17.029 542 2HB SER 75 3HB SER 75 7.108 0.760 18.553 543 HG SER 75 HG SER 75 6.816 2.883 18.762 544 H MET 76 HN MET 76 10.903 -0.604 19.759 545 HA MET 76 HA MET 76 9.501 -2.358 21.088 546 1HB MET 76 2HB MET 76 12.046 -0.867 21.818 547 2HB MET 76 3HB MET 76 11.421 -2.045 22.955 548 1HG MET 76 2HG MET 76 11.268 -3.568 20.725 549 2HG MET 76 3HG MET 76 12.535 -2.482 20.189 550 1HE MET 76 1HE MET 76 15.101 -4.318 20.674 551 2HE MET 76 2HE MET 76 14.522 -2.657 20.407 552 3HE MET 76 3HE MET 76 15.487 -3.042 21.852 553 H GLY 77 HN GLY 77 10.004 1.028 22.167 554 1HA GLY 77 1HA GLY 77 8.048 1.945 23.352 555 2HA GLY 77 2HA GLY 77 8.094 0.521 24.371 556 H LEU 78 HN LEU 78 10.988 2.266 23.145 557 HA LEU 78 HA LEU 78 11.385 3.418 25.793 558 1HB LEU 78 2HB LEU 78 12.724 1.712 26.310 559 2HB LEU 78 3HB LEU 78 12.881 1.182 24.647 560 HG LEU 78 HG LEU 78 14.997 1.929 25.858 561 1HD1 LEU 78 1HD1 LEU 78 15.178 3.595 23.536 562 2HD1 LEU 78 2HD1 LEU 78 15.820 1.957 23.801 563 3HD1 LEU 78 3HD1 LEU 78 14.175 2.174 23.159 564 1HD2 LEU 78 1HD2 LEU 78 15.195 3.976 26.692 565 2HD2 LEU 78 2HD2 LEU 78 14.735 4.712 25.138 566 3HD2 LEU 78 3HD2 LEU 78 13.479 4.250 26.310 567 H ALA 79 HN ALA 79 12.622 3.040 22.408 568 HA ALA 79 HA ALA 79 14.223 5.210 22.235 569 1HB ALA 79 1HB ALA 79 13.681 5.199 19.841 570 2HB ALA 79 2HB ALA 79 13.800 3.532 20.452 571 3HB ALA 79 3HB ALA 79 12.203 4.261 20.162 572 H TYR 80 HN TYR 80 10.670 5.110 22.469 573 HA TYR 80 HA TYR 80 10.345 7.860 21.746 574 1HB TYR 80 2HB TYR 80 8.037 7.278 22.110 575 2HB TYR 80 3HB TYR 80 8.740 5.732 21.677 576 HD1 TYR 80 HD1 TYR 80 8.404 3.890 23.072 577 HD2 TYR 80 HD2 TYR 80 7.981 7.828 24.692 578 HE1 TYR 80 HE1 TYR 80 7.573 2.907 25.264 579 HE2 TYR 80 HE2 TYR 80 7.151 6.830 26.879 580 HH TYR 80 HH TYR 80 7.025 4.957 28.066 Start of MODEL 6 1 H SER 1 HN SER 1 -5.087 -6.513 9.553 2 HA SER 1 HA SER 1 -5.505 -4.289 8.995 3 1HB SER 1 2HB SER 1 -6.538 -4.248 11.801 4 2HB SER 1 3HB SER 1 -5.754 -2.777 11.260 5 HG SER 1 HG SER 1 -7.467 -3.757 9.315 6 H HIS 2 HN HIS 2 -3.211 -4.896 8.586 7 HA HIS 2 HA HIS 2 -1.437 -3.164 9.760 8 1HB HIS 2 2HB HIS 2 0.007 -4.776 11.041 9 2HB HIS 2 3HB HIS 2 -1.500 -4.323 11.814 10 HD1 HIS 2 HD1 HIS 2 -0.960 -7.048 9.173 11 HD2 HIS 2 HD2 HIS 2 -2.164 -6.612 13.167 12 HE1 HIS 2 HE1 HIS 2 -1.715 -9.359 9.948 13 H SER 3 HN SER 3 0.996 -4.066 9.266 14 HA SER 3 HA SER 3 2.405 -4.616 7.711 15 1HB SER 3 2HB SER 3 2.288 -6.766 6.729 16 2HB SER 3 3HB SER 3 1.351 -6.928 8.202 17 HG SER 3 HG SER 3 0.211 -7.863 6.426 18 H VAL 4 HN VAL 4 2.898 -4.387 5.365 19 HA VAL 4 HA VAL 4 0.661 -3.584 3.699 20 HB VAL 4 HB VAL 4 1.392 -1.566 4.954 21 1HG1 VAL 4 1HG1 VAL 4 3.520 -0.649 4.812 22 2HG1 VAL 4 2HG1 VAL 4 3.874 -2.391 4.899 23 3HG1 VAL 4 3HG1 VAL 4 3.927 -1.550 3.332 24 1HG2 VAL 4 1HG2 VAL 4 2.215 -0.660 2.350 25 2HG2 VAL 4 2HG2 VAL 4 0.938 -1.887 2.171 26 3HG2 VAL 4 3HG2 VAL 4 0.652 -0.444 3.174 27 H LYS 5 HN LYS 5 1.911 -5.947 3.400 28 HA LYS 5 HA LYS 5 4.319 -5.993 2.060 29 1HB LYS 5 2HB LYS 5 2.055 -7.794 2.512 30 2HB LYS 5 3HB LYS 5 2.835 -8.074 0.969 31 1HG LYS 5 2HG LYS 5 4.472 -7.756 3.513 32 2HG LYS 5 3HG LYS 5 3.778 -9.305 3.076 33 1HD LYS 5 2HD LYS 5 5.532 -7.692 1.171 34 2HD LYS 5 3HD LYS 5 6.186 -8.882 2.278 35 1HE LYS 5 2HE LYS 5 4.795 -10.658 1.250 36 2HE LYS 5 3HE LYS 5 4.029 -9.484 0.199 37 1HZ LYS 5 1HZ LYS 5 5.739 -10.472 -1.017 38 2HZ LYS 5 2HZ LYS 5 6.314 -8.993 -0.628 39 3HZ LYS 5 3HZ LYS 5 6.839 -10.313 0.179 40 H ILE 6 HN ILE 6 4.039 -7.127 -0.440 41 HA ILE 6 HA ILE 6 3.113 -4.808 -1.944 42 HB ILE 6 HB ILE 6 4.739 -7.141 -2.938 43 1HG1 ILE 6 2HG1 ILE 6 6.045 -6.366 -1.146 44 2HG1 ILE 6 3HG1 ILE 6 6.716 -5.591 -2.567 45 1HG2 ILE 6 1HG2 ILE 6 3.532 -5.428 -4.481 46 2HG2 ILE 6 2HG2 ILE 6 4.831 -4.323 -3.972 47 3HG2 ILE 6 3HG2 ILE 6 5.234 -5.850 -4.792 48 1HD1 ILE 6 1HD1 ILE 6 6.509 -3.931 -0.785 49 2HD1 ILE 6 2HD1 ILE 6 5.332 -3.543 -2.063 50 3HD1 ILE 6 3HD1 ILE 6 4.789 -4.333 -0.562 51 H TYR 7 HN TYR 7 0.857 -5.731 -1.177 52 HA TYR 7 HA TYR 7 0.007 -7.823 -3.047 53 1HB TYR 7 2HB TYR 7 -1.077 -6.521 -0.478 54 2HB TYR 7 3HB TYR 7 -2.057 -7.623 -1.422 55 HD1 TYR 7 HD1 TYR 7 -0.079 -9.704 -2.182 56 HD2 TYR 7 HD2 TYR 7 -0.648 -7.648 1.527 57 HE1 TYR 7 HE1 TYR 7 0.933 -11.671 -0.929 58 HE2 TYR 7 HE2 TYR 7 0.367 -9.621 2.768 59 HH TYR 7 HH TYR 7 1.357 -12.541 1.008 60 H ASP 8 HN ASP 8 -2.115 -7.543 -4.135 61 HA ASP 8 HA ASP 8 -2.286 -4.852 -5.106 62 1HB ASP 8 2HB ASP 8 -3.542 -5.758 -6.899 63 2HB ASP 8 3HB ASP 8 -2.396 -7.027 -6.517 64 H THR 9 HN THR 9 -3.134 -5.526 -2.297 65 HA THR 9 HA THR 9 -5.981 -5.665 -2.235 66 HB THR 9 HB THR 9 -4.572 -6.536 -0.405 67 HG1 THR 9 1HG THR 9 -5.606 -5.059 1.283 68 1HG2 THR 9 1HG2 THR 9 -2.993 -4.254 -0.794 69 2HG2 THR 9 2HG2 THR 9 -3.892 -3.871 0.693 70 3HG2 THR 9 3HG2 THR 9 -2.893 -5.342 0.611 71 H CYS 10 HN CYS 10 -6.815 -4.047 -3.589 72 HA CYS 10 HA CYS 10 -6.928 -1.497 -2.268 73 1HB CYS 10 2HB CYS 10 -4.914 -1.595 -4.001 74 2HB CYS 10 3HB CYS 10 -6.194 -1.334 -5.170 75 H ILE 11 HN ILE 11 -9.024 -0.722 -2.492 76 HA ILE 11 HA ILE 11 -10.663 -2.055 -4.533 77 HB ILE 11 HB ILE 11 -12.493 -1.977 -3.088 78 1HG1 ILE 11 2HG1 ILE 11 -12.170 0.353 -2.312 79 2HG1 ILE 11 3HG1 ILE 11 -12.636 -0.747 -1.030 80 1HG2 ILE 11 1HG2 ILE 11 -11.680 -3.749 -2.032 81 2HG2 ILE 11 2HG2 ILE 11 -10.016 -3.138 -2.194 82 3HG2 ILE 11 3HG2 ILE 11 -11.006 -2.664 -0.794 83 1HD1 ILE 11 1HD1 ILE 11 -9.998 0.619 -1.501 84 2HD1 ILE 11 2HD1 ILE 11 -10.878 0.345 0.022 85 3HD1 ILE 11 3HD1 ILE 11 -9.976 -0.988 -0.736 86 H GLY 12 HN GLY 12 -9.078 0.816 -3.706 87 1HA GLY 12 1HA GLY 12 -9.230 2.557 -5.383 88 2HA GLY 12 2HA GLY 12 -10.974 2.377 -5.357 89 H CYS 13 HN CYS 13 -8.972 2.205 -2.398 90 HA CYS 13 HA CYS 13 -10.252 4.696 -1.552 91 1HB CYS 13 2HB CYS 13 -10.798 3.659 0.342 92 2HB CYS 13 3HB CYS 13 -10.151 2.165 -0.307 93 H THR 14 HN THR 14 -8.808 5.975 0.079 94 HA THR 14 HA THR 14 -5.967 5.679 -0.612 95 HB THR 14 HB THR 14 -7.062 7.435 -2.054 96 HG1 THR 14 1HG THR 14 -5.023 8.201 -1.649 97 1HG2 THR 14 1HG2 THR 14 -8.648 8.096 0.036 98 2HG2 THR 14 2HG2 THR 14 -7.288 9.188 0.393 99 3HG2 THR 14 3HG2 THR 14 -8.144 9.311 -1.163 100 H GLN 15 HN GLN 15 -6.184 4.477 1.521 101 HA GLN 15 HA GLN 15 -6.216 6.426 3.686 102 1HB GLN 15 2HB GLN 15 -6.744 4.572 5.187 103 2HB GLN 15 3HB GLN 15 -7.883 4.576 3.856 104 1HG GLN 15 2HG GLN 15 -6.454 2.838 2.689 105 2HG GLN 15 3HG GLN 15 -5.418 2.787 4.101 106 1HE2 GLN 15 1HE2 GLN 15 -5.883 0.620 4.430 107 2HE2 GLN 15 2HE2 GLN 15 -7.378 0.064 5.105 108 H CYS 16 HN CYS 16 -4.477 3.565 2.320 109 HA CYS 16 HA CYS 16 -2.305 3.939 4.156 110 1HB CYS 16 2HB CYS 16 -1.393 1.957 3.275 111 2HB CYS 16 3HB CYS 16 -3.125 1.688 3.276 112 H VAL 17 HN VAL 17 -3.316 5.940 1.919 113 HA VAL 17 HA VAL 17 -0.664 6.318 0.706 114 HB VAL 17 HB VAL 17 -3.283 7.220 -0.481 115 1HG1 VAL 17 1HG1 VAL 17 -1.115 8.269 -1.218 116 2HG1 VAL 17 2HG1 VAL 17 -0.615 6.667 -1.812 117 3HG1 VAL 17 3HG1 VAL 17 -2.040 7.471 -2.513 118 1HG2 VAL 17 1HG2 VAL 17 -2.370 4.516 -0.216 119 2HG2 VAL 17 2HG2 VAL 17 -3.811 5.134 -1.058 120 3HG2 VAL 17 3HG2 VAL 17 -2.265 4.991 -1.929 121 H ARG 18 HN ARG 18 -2.286 7.258 3.277 122 HA ARG 18 HA ARG 18 -1.708 10.070 2.789 123 1HB ARG 18 2HB ARG 18 -4.124 8.772 3.832 124 2HB ARG 18 3HB ARG 18 -3.484 9.905 5.007 125 1HG ARG 18 2HG ARG 18 -5.011 11.130 3.575 126 2HG ARG 18 3HG ARG 18 -3.388 11.667 3.190 127 1HD ARG 18 2HD ARG 18 -3.791 9.459 1.478 128 2HD ARG 18 3HD ARG 18 -5.341 10.276 1.481 129 HE ARG 18 HE ARG 18 -3.634 12.383 1.145 130 1HH1 ARG 18 1HH1 ARG 18 -2.589 12.080 -2.171 131 2HH1 ARG 18 2HH1 ARG 18 -2.787 13.159 -0.830 132 1HH2 ARG 18 1HH2 ARG 18 -3.184 9.846 -1.961 133 2HH2 ARG 18 2HH2 ARG 18 -3.828 9.259 -0.463 134 H ALA 19 HN ALA 19 -1.982 7.431 5.267 135 HA ALA 19 HA ALA 19 -0.482 8.880 7.207 136 1HB ALA 19 1HB ALA 19 -2.229 7.165 7.720 137 2HB ALA 19 2HB ALA 19 -1.158 5.916 7.040 138 3HB ALA 19 3HB ALA 19 -0.665 6.817 8.494 139 H CYS 20 HN CYS 20 1.381 9.499 5.844 140 HA CYS 20 HA CYS 20 3.494 7.654 6.206 141 1HB CYS 20 2HB CYS 20 2.422 6.760 4.099 142 2HB CYS 20 3HB CYS 20 2.827 8.273 3.313 143 HA PRO 21 HA PRO 21 4.825 11.887 6.329 144 1HB PRO 21 2HB PRO 21 6.931 11.511 8.029 145 2HB PRO 21 3HB PRO 21 5.299 11.832 8.581 146 1HG PRO 21 2HG PRO 21 6.789 9.279 8.590 147 2HG PRO 21 3HG PRO 21 5.358 9.718 9.502 148 1HD PRO 21 2HD PRO 21 5.464 8.053 7.168 149 2HD PRO 21 3HD PRO 21 4.022 8.587 8.011 150 H LEU 22 HN LEU 22 6.910 9.127 5.805 151 HA LEU 22 HA LEU 22 8.907 10.707 4.534 152 1HB LEU 22 2HB LEU 22 8.406 7.731 4.641 153 2HB LEU 22 3HB LEU 22 9.801 8.466 3.876 154 HG LEU 22 HG LEU 22 9.799 9.581 6.428 155 1HD1 LEU 22 1HD1 LEU 22 8.094 8.014 7.180 156 2HD1 LEU 22 2HD1 LEU 22 9.084 6.642 6.628 157 3HD1 LEU 22 3HD1 LEU 22 9.655 7.672 7.963 158 1HD2 LEU 22 1HD2 LEU 22 11.901 8.744 6.525 159 2HD2 LEU 22 2HD2 LEU 22 11.405 7.119 5.993 160 3HD2 LEU 22 3HD2 LEU 22 11.590 8.429 4.801 161 H ASP 23 HN ASP 23 7.726 7.852 2.818 162 HA ASP 23 HA ASP 23 5.931 8.798 1.116 163 1HB ASP 23 2HB ASP 23 8.454 10.163 0.655 164 2HB ASP 23 3HB ASP 23 8.087 9.173 -0.743 165 H VAL 24 HN VAL 24 5.732 6.410 1.445 166 HA VAL 24 HA VAL 24 7.558 4.912 -0.306 167 HB VAL 24 HB VAL 24 6.205 4.036 2.254 168 1HG1 VAL 24 1HG1 VAL 24 8.275 2.318 1.022 169 2HG1 VAL 24 2HG1 VAL 24 6.745 1.885 1.823 170 3HG1 VAL 24 3HG1 VAL 24 6.741 2.419 0.125 171 1HG2 VAL 24 1HG2 VAL 24 8.046 4.673 3.339 172 2HG2 VAL 24 2HG2 VAL 24 9.075 3.744 2.222 173 3HG2 VAL 24 3HG2 VAL 24 8.635 5.425 1.837 174 H LEU 25 HN LEU 25 4.314 4.565 1.309 175 HA LEU 25 HA LEU 25 3.215 2.901 -0.565 176 1HB LEU 25 2HB LEU 25 1.807 5.046 1.030 177 2HB LEU 25 3HB LEU 25 1.058 3.646 0.288 178 HG LEU 25 HG LEU 25 3.218 2.831 2.047 179 1HD1 LEU 25 1HD1 LEU 25 1.067 3.910 3.742 180 2HD1 LEU 25 2HD1 LEU 25 2.829 3.867 3.995 181 3HD1 LEU 25 3HD1 LEU 25 2.106 5.141 2.984 182 1HD2 LEU 25 1HD2 LEU 25 1.402 1.390 1.195 183 2HD2 LEU 25 2HD2 LEU 25 1.519 1.378 2.971 184 3HD2 LEU 25 3HD2 LEU 25 0.235 2.315 2.170 185 H GLU 26 HN GLU 26 3.754 3.371 -2.709 186 HA GLU 26 HA GLU 26 2.499 5.815 -3.692 187 1HB GLU 26 2HB GLU 26 5.090 4.508 -4.625 188 2HB GLU 26 3HB GLU 26 4.287 5.797 -5.498 189 1HG GLU 26 2HG GLU 26 5.007 6.110 -2.559 190 2HG GLU 26 3HG GLU 26 6.185 6.436 -3.814 191 H MET 27 HN MET 27 2.663 5.366 -6.440 192 HA MET 27 HA MET 27 0.730 3.273 -6.685 193 1HB MET 27 2HB MET 27 0.546 4.161 -9.031 194 2HB MET 27 3HB MET 27 0.436 5.453 -7.853 195 1HG MET 27 2HG MET 27 2.164 6.490 -8.899 196 2HG MET 27 3HG MET 27 3.216 5.187 -8.383 197 1HE MET 27 1HE MET 27 3.522 6.297 -12.221 198 2HE MET 27 2HE MET 27 1.871 6.838 -11.835 199 3HE MET 27 3HE MET 27 3.197 7.140 -10.687 200 H VAL 28 HN VAL 28 1.033 1.249 -7.582 201 HA VAL 28 HA VAL 28 3.673 0.759 -8.776 202 HB VAL 28 HB VAL 28 3.883 -1.230 -7.636 203 1HG1 VAL 28 1HG1 VAL 28 4.140 -0.451 -5.548 204 2HG1 VAL 28 2HG1 VAL 28 3.412 1.057 -6.150 205 3HG1 VAL 28 3HG1 VAL 28 2.395 -0.163 -5.346 206 1HG2 VAL 28 1HG2 VAL 28 0.966 -1.287 -7.787 207 2HG2 VAL 28 2HG2 VAL 28 2.134 -2.627 -7.695 208 3HG2 VAL 28 3HG2 VAL 28 1.574 -1.831 -6.205 209 HA PRO 29 HA PRO 29 1.541 -0.981 -12.108 210 1HB PRO 29 2HB PRO 29 3.104 -3.082 -12.890 211 2HB PRO 29 3HB PRO 29 3.477 -1.413 -13.276 212 1HG PRO 29 2HG PRO 29 4.740 -3.180 -11.270 213 2HG PRO 29 3HG PRO 29 5.352 -1.691 -11.962 214 1HD PRO 29 2HD PRO 29 4.210 -2.027 -9.352 215 2HD PRO 29 3HD PRO 29 4.716 -0.519 -10.089 216 H TRP 30 HN TRP 30 -0.460 -1.758 -11.955 217 HA TRP 30 HA TRP 30 -0.601 -4.457 -10.792 218 1HB TRP 30 2HB TRP 30 -1.509 -2.839 -9.235 219 2HB TRP 30 3HB TRP 30 -2.542 -2.162 -10.479 220 HD1 TRP 30 HD1 TRP 30 -4.982 -2.939 -9.988 221 HE1 TRP 30 HE1 TRP 30 -6.259 -5.128 -9.253 222 HE3 TRP 30 HE3 TRP 30 -0.819 -5.798 -9.403 223 HZ2 TRP 30 HZ2 TRP 30 -5.404 -7.751 -8.525 224 HZ3 TRP 30 HZ3 TRP 30 -1.128 -8.164 -8.677 225 HH2 TRP 30 HH2 TRP 30 -3.323 -9.147 -8.241 226 H ASP 31 HN ASP 31 -3.609 -3.238 -11.810 227 HA ASP 31 HA ASP 31 -3.562 -3.291 -14.500 228 1HB ASP 31 2HB ASP 31 -2.830 -5.837 -13.652 229 2HB ASP 31 3HB ASP 31 -4.559 -6.021 -13.869 230 H GLY 32 HN GLY 32 -5.213 -5.015 -11.745 231 1HA GLY 32 1HA GLY 32 -7.842 -4.727 -12.676 232 2HA GLY 32 2HA GLY 32 -7.340 -5.014 -11.022 233 H CYS 33 HN CYS 33 -5.601 -2.326 -11.677 234 HA CYS 33 HA CYS 33 -7.525 -0.649 -10.377 235 1HB CYS 33 2HB CYS 33 -4.619 -0.615 -10.860 236 2HB CYS 33 3HB CYS 33 -5.366 0.966 -10.976 237 HG CYS 33 HG CYS 33 -6.896 0.409 -8.707 238 H LYS 34 HN LYS 34 -8.207 1.469 -11.281 239 HA LYS 34 HA LYS 34 -9.150 1.275 -13.875 240 1HB LYS 34 2HB LYS 34 -9.163 3.211 -11.703 241 2HB LYS 34 3HB LYS 34 -9.037 4.006 -13.259 242 1HG LYS 34 2HG LYS 34 -10.955 1.896 -13.570 243 2HG LYS 34 3HG LYS 34 -11.344 2.708 -12.067 244 1HD LYS 34 2HD LYS 34 -12.541 3.931 -13.727 245 2HD LYS 34 3HD LYS 34 -11.147 4.932 -13.370 246 1HE LYS 34 2HE LYS 34 -10.222 4.627 -15.456 247 2HE LYS 34 3HE LYS 34 -10.674 2.934 -15.524 248 1HZ LYS 34 1HZ LYS 34 -13.043 4.097 -15.660 249 2HZ LYS 34 2HZ LYS 34 -12.139 5.238 -16.402 250 3HZ LYS 34 3HZ LYS 34 -12.157 3.709 -16.976 251 H ALA 35 HN ALA 35 -6.015 2.270 -12.614 252 HA ALA 35 HA ALA 35 -5.259 3.032 -15.352 253 1HB ALA 35 1HB ALA 35 -3.717 4.619 -14.423 254 2HB ALA 35 2HB ALA 35 -5.277 4.882 -13.604 255 3HB ALA 35 3HB ALA 35 -3.973 4.000 -12.774 256 H GLY 36 HN GLY 36 -5.404 0.331 -14.031 257 1HA GLY 36 1HA GLY 36 -4.130 -1.501 -13.723 258 2HA GLY 36 2HA GLY 36 -3.146 -0.843 -15.014 259 H GLN 37 HN GLN 37 -3.634 0.744 -11.830 260 HA GLN 37 HA GLN 37 -1.004 -0.142 -11.022 261 1HB GLN 37 2HB GLN 37 -0.339 2.219 -10.455 262 2HB GLN 37 3HB GLN 37 -0.478 1.921 -12.176 263 1HG GLN 37 2HG GLN 37 -1.932 3.654 -12.309 264 2HG GLN 37 3HG GLN 37 -3.079 2.712 -11.376 265 1HE2 GLN 37 1HE2 GLN 37 -3.449 3.147 -9.267 266 2HE2 GLN 37 2HE2 GLN 37 -2.778 4.489 -8.400 267 H ILE 38 HN ILE 38 -1.151 -0.843 -8.936 268 HA ILE 38 HA ILE 38 -3.406 0.151 -7.366 269 HB ILE 38 HB ILE 38 -2.843 -2.349 -7.890 270 1HG1 ILE 38 2HG1 ILE 38 -3.481 -2.420 -5.114 271 2HG1 ILE 38 3HG1 ILE 38 -4.206 -0.968 -5.776 272 1HG2 ILE 38 1HG2 ILE 38 -0.514 -1.667 -6.536 273 2HG2 ILE 38 2HG2 ILE 38 -1.475 -2.558 -5.331 274 3HG2 ILE 38 3HG2 ILE 38 -1.098 -3.309 -6.901 275 1HD1 ILE 38 1HD1 ILE 38 -5.630 -3.094 -5.927 276 2HD1 ILE 38 2HD1 ILE 38 -5.414 -2.208 -7.454 277 3HD1 ILE 38 3HD1 ILE 38 -4.466 -3.681 -7.140 278 H ALA 39 HN ALA 39 -3.118 0.979 -5.238 279 HA ALA 39 HA ALA 39 -0.643 2.386 -4.934 280 1HB ALA 39 1HB ALA 39 -1.768 3.483 -3.118 281 2HB ALA 39 2HB ALA 39 -2.976 3.256 -4.407 282 3HB ALA 39 3HB ALA 39 -2.972 2.178 -2.992 283 H SER 40 HN SER 40 1.159 1.394 -4.178 284 HA SER 40 HA SER 40 1.032 0.081 -1.688 285 1HB SER 40 2HB SER 40 1.536 -1.584 -4.187 286 2HB SER 40 3HB SER 40 2.066 -2.096 -2.597 287 HG SER 40 HG SER 40 -0.468 -1.432 -2.221 288 H SER 41 HN SER 41 3.466 -1.190 -1.556 289 HA SER 41 HA SER 41 5.226 1.003 -1.824 290 1HB SER 41 2HB SER 41 5.702 -1.894 -0.998 291 2HB SER 41 3HB SER 41 6.919 -0.638 -0.895 292 HG SER 41 HG SER 41 4.374 -0.694 0.488 293 HA PRO 42 HA PRO 42 6.671 -0.112 -5.801 294 1HB PRO 42 2HB PRO 42 8.616 1.788 -6.070 295 2HB PRO 42 3HB PRO 42 6.924 2.093 -6.410 296 1HG PRO 42 2HG PRO 42 8.528 2.946 -4.078 297 2HG PRO 42 3HG PRO 42 6.995 3.577 -4.646 298 1HD PRO 42 2HD PRO 42 7.409 1.829 -2.411 299 2HD PRO 42 3HD PRO 42 5.868 2.367 -3.049 300 H ARG 43 HN ARG 43 9.254 0.716 -3.530 301 HA ARG 43 HA ARG 43 10.316 -1.907 -4.007 302 1HB ARG 43 2HB ARG 43 11.931 0.635 -4.549 303 2HB ARG 43 3HB ARG 43 12.630 -0.969 -4.462 304 1HG ARG 43 2HG ARG 43 11.146 -1.707 -6.348 305 2HG ARG 43 3HG ARG 43 10.472 -0.092 -6.441 306 1HD ARG 43 2HD ARG 43 12.836 0.790 -6.850 307 2HD ARG 43 3HD ARG 43 13.384 -0.872 -6.938 308 HE ARG 43 HE ARG 43 11.119 -0.236 -8.712 309 1HH1 ARG 43 1HH1 ARG 43 13.097 -0.558 -11.570 310 2HH1 ARG 43 2HH1 ARG 43 11.482 -0.409 -10.961 311 1HH2 ARG 43 1HH2 ARG 43 14.892 -0.583 -10.098 312 2HH2 ARG 43 2HH2 ARG 43 14.617 -0.452 -8.394 313 H THR 44 HN THR 44 9.144 0.053 -1.850 314 HA THR 44 HA THR 44 9.612 0.772 0.233 315 HB THR 44 HB THR 44 10.781 -2.061 0.218 316 HG1 THR 44 1HG THR 44 8.619 -2.491 0.031 317 1HG2 THR 44 1HG2 THR 44 11.268 -1.445 2.415 318 2HG2 THR 44 2HG2 THR 44 10.094 -0.108 2.403 319 3HG2 THR 44 3HG2 THR 44 9.533 -1.783 2.618 320 H GLU 45 HN GLU 45 11.720 1.386 -1.850 321 HA GLU 45 HA GLU 45 14.228 1.055 -0.862 322 1HB GLU 45 2HB GLU 45 14.827 3.062 -2.195 323 2HB GLU 45 3HB GLU 45 13.755 1.996 -3.081 324 1HG GLU 45 2HG GLU 45 11.861 3.422 -2.750 325 2HG GLU 45 3HG GLU 45 12.631 4.292 -1.439 326 H ASP 46 HN ASP 46 11.653 3.274 0.192 327 HA ASP 46 HA ASP 46 13.539 4.543 1.992 328 1HB ASP 46 2HB ASP 46 11.184 5.403 0.552 329 2HB ASP 46 3HB ASP 46 10.854 5.571 2.265 330 H CYS 47 HN CYS 47 11.622 5.309 4.021 331 HA CYS 47 HA CYS 47 10.436 4.584 5.739 332 1HB CYS 47 2HB CYS 47 9.110 3.198 4.126 333 2HB CYS 47 3HB CYS 47 10.217 1.867 4.401 334 H VAL 48 HN VAL 48 10.914 3.404 7.771 335 HA VAL 48 HA VAL 48 13.152 1.605 7.777 336 HB VAL 48 HB VAL 48 14.299 3.738 7.624 337 1HG1 VAL 48 1HG1 VAL 48 12.434 5.116 8.585 338 2HG1 VAL 48 2HG1 VAL 48 12.912 4.541 10.200 339 3HG1 VAL 48 3HG1 VAL 48 14.046 5.510 9.230 340 1HG2 VAL 48 1HG2 VAL 48 15.879 3.012 9.031 341 2HG2 VAL 48 2HG2 VAL 48 14.853 3.310 10.455 342 3HG2 VAL 48 3HG2 VAL 48 14.712 1.777 9.560 343 H GLY 49 HN GLY 49 10.272 1.603 8.442 344 1HA GLY 49 1HA GLY 49 9.132 0.466 10.061 345 2HA GLY 49 2HA GLY 49 10.524 0.544 11.123 346 H CYS 50 HN CYS 50 7.907 2.585 9.676 347 HA CYS 50 HA CYS 50 7.959 4.127 12.166 348 1HB CYS 50 2HB CYS 50 8.326 6.010 11.036 349 2HB CYS 50 3HB CYS 50 8.454 5.102 9.543 350 H LYS 51 HN LYS 51 6.107 3.623 13.284 351 HA LYS 51 HA LYS 51 3.929 2.342 12.017 352 1HB LYS 51 2HB LYS 51 4.744 3.104 14.735 353 2HB LYS 51 3HB LYS 51 3.014 3.197 14.481 354 1HG LYS 51 2HG LYS 51 3.019 0.867 13.570 355 2HG LYS 51 3HG LYS 51 4.751 0.772 13.817 356 1HD LYS 51 2HD LYS 51 3.222 1.615 16.229 357 2HD LYS 51 3HD LYS 51 2.844 -0.003 15.671 358 1HE LYS 51 2HE LYS 51 4.678 -0.252 17.208 359 2HE LYS 51 3HE LYS 51 5.363 -0.474 15.611 360 1HZ LYS 51 1HZ LYS 51 6.049 1.833 15.654 361 2HZ LYS 51 2HZ LYS 51 5.421 2.029 17.149 362 3HZ LYS 51 3HZ LYS 51 6.683 1.018 16.920 363 H ARG 52 HN ARG 52 3.051 3.578 10.352 364 HA ARG 52 HA ARG 52 1.586 5.873 11.319 365 1HB ARG 52 2HB ARG 52 3.717 5.881 9.209 366 2HB ARG 52 3HB ARG 52 2.263 6.774 8.811 367 1HG ARG 52 2HG ARG 52 3.775 7.151 11.436 368 2HG ARG 52 3HG ARG 52 4.097 8.112 10.005 369 1HD ARG 52 2HD ARG 52 1.769 8.943 9.982 370 2HD ARG 52 3HD ARG 52 1.344 7.889 11.316 371 HE ARG 52 HE ARG 52 3.591 9.679 11.914 372 1HH1 ARG 52 1HH1 ARG 52 1.666 11.660 14.046 373 2HH1 ARG 52 2HH1 ARG 52 3.269 11.282 13.511 374 1HH2 ARG 52 1HH2 ARG 52 -0.155 10.540 13.142 375 2HH2 ARG 52 2HH2 ARG 52 0.090 9.325 11.932 376 H CYS 53 HN CYS 53 2.340 3.821 8.405 377 HA CYS 53 HA CYS 53 -0.228 4.178 7.294 378 1HB CYS 53 2HB CYS 53 0.492 2.258 5.798 379 2HB CYS 53 3HB CYS 53 1.510 3.685 5.770 380 H GLU 54 HN GLU 54 -1.192 3.682 9.615 381 HA GLU 54 HA GLU 54 -1.279 0.873 10.187 382 1HB GLU 54 2HB GLU 54 -1.179 2.821 11.908 383 2HB GLU 54 3HB GLU 54 -2.884 3.047 11.576 384 1HG GLU 54 2HG GLU 54 -3.496 1.012 12.548 385 2HG GLU 54 3HG GLU 54 -1.966 0.244 12.176 386 H THR 55 HN THR 55 -2.295 1.345 7.629 387 HA THR 55 HA THR 55 -5.158 0.826 8.066 388 HB THR 55 HB THR 55 -5.619 2.171 6.035 389 HG1 THR 55 1HG THR 55 -2.743 2.711 6.233 390 1HG2 THR 55 1HG2 THR 55 -5.287 4.322 6.928 391 2HG2 THR 55 2HG2 THR 55 -5.086 3.338 8.398 392 3HG2 THR 55 3HG2 THR 55 -3.655 3.928 7.520 393 H ALA 56 HN ALA 56 -3.101 0.869 5.108 394 HA ALA 56 HA ALA 56 -2.467 -0.770 3.751 395 1HB ALA 56 1HB ALA 56 -3.407 -2.854 5.738 396 2HB ALA 56 2HB ALA 56 -2.067 -2.946 4.571 397 3HB ALA 56 3HB ALA 56 -1.919 -1.919 6.017 398 H CYS 57 HN CYS 57 -5.340 -2.158 5.506 399 HA CYS 57 HA CYS 57 -7.241 -1.497 3.690 400 1HB CYS 57 2HB CYS 57 -5.484 -3.391 2.484 401 2HB CYS 57 3HB CYS 57 -6.989 -4.224 2.820 402 HA PRO 58 HA PRO 58 -9.515 -3.908 6.533 403 1HB PRO 58 2HB PRO 58 -11.566 -5.054 5.137 404 2HB PRO 58 3HB PRO 58 -11.563 -3.371 5.627 405 1HG PRO 58 2HG PRO 58 -11.102 -4.520 2.944 406 2HG PRO 58 3HG PRO 58 -11.520 -2.874 3.376 407 1HD PRO 58 2HD PRO 58 -8.932 -3.840 2.600 408 2HD PRO 58 3HD PRO 58 -9.327 -2.222 3.144 409 H THR 59 HN THR 59 -7.581 -5.408 4.438 410 HA THR 59 HA THR 59 -6.518 -7.375 4.685 411 HB THR 59 HB THR 59 -8.620 -8.367 6.642 412 HG1 THR 59 1HG THR 59 -6.335 -6.596 7.132 413 1HG2 THR 59 1HG2 THR 59 -6.674 -9.850 6.116 414 2HG2 THR 59 2HG2 THR 59 -5.560 -8.523 6.526 415 3HG2 THR 59 3HG2 THR 59 -6.581 -9.251 7.790 416 H ASP 60 HN ASP 60 -9.702 -6.795 3.685 417 HA ASP 60 HA ASP 60 -10.791 -9.126 3.059 418 1HB ASP 60 2HB ASP 60 -10.869 -6.438 2.031 419 2HB ASP 60 3HB ASP 60 -10.843 -7.516 0.649 420 H PHE 61 HN PHE 61 -7.802 -7.714 1.776 421 HA PHE 61 HA PHE 61 -7.623 -9.886 -0.188 422 1HB PHE 61 2HB PHE 61 -6.419 -7.084 0.123 423 2HB PHE 61 3HB PHE 61 -5.703 -8.234 -0.987 424 HD1 PHE 61 1HD PHE 61 -6.516 -8.412 -3.163 425 HD2 PHE 61 2HD PHE 61 -8.934 -6.562 -0.206 426 HE1 PHE 61 1HE PHE 61 -8.155 -7.722 -4.934 427 HE2 PHE 61 2HE PHE 61 -10.574 -5.873 -1.978 428 HZ PHE 61 HZ PHE 61 -10.164 -6.461 -4.321 429 H LEU 62 HN LEU 62 -5.001 -7.850 1.185 430 HA LEU 62 HA LEU 62 -3.129 -9.750 1.414 431 1HB LEU 62 2HB LEU 62 -1.977 -8.331 2.852 432 2HB LEU 62 3HB LEU 62 -2.966 -7.280 1.859 433 HG LEU 62 HG LEU 62 -4.632 -7.587 3.967 434 1HD1 LEU 62 1HD1 LEU 62 -2.254 -7.203 5.612 435 2HD1 LEU 62 2HD1 LEU 62 -3.694 -8.213 5.888 436 3HD1 LEU 62 3HD1 LEU 62 -2.345 -8.836 4.907 437 1HD2 LEU 62 1HD2 LEU 62 -3.196 -5.546 2.819 438 2HD2 LEU 62 2HD2 LEU 62 -4.356 -5.377 4.158 439 3HD2 LEU 62 3HD2 LEU 62 -2.616 -5.526 4.501 440 H SER 63 HN SER 63 -2.849 -11.639 2.478 441 HA SER 63 HA SER 63 -4.853 -12.339 4.401 442 1HB SER 63 2HB SER 63 -3.073 -13.733 2.579 443 2HB SER 63 3HB SER 63 -2.874 -14.391 4.190 444 HG SER 63 HG SER 63 -4.661 -15.488 3.778 445 H ILE 64 HN ILE 64 -3.922 -10.504 5.858 446 HA ILE 64 HA ILE 64 -2.389 -9.749 7.362 447 HB ILE 64 HB ILE 64 -2.601 -11.068 9.416 448 1HG1 ILE 64 2HG1 ILE 64 -4.405 -13.109 8.489 449 2HG1 ILE 64 3HG1 ILE 64 -2.889 -13.253 7.623 450 1HG2 ILE 64 1HG2 ILE 64 -5.347 -11.307 8.436 451 2HG2 ILE 64 2HG2 ILE 64 -4.664 -10.271 9.712 452 3HG2 ILE 64 3HG2 ILE 64 -4.579 -9.760 8.009 453 1HD1 ILE 64 1HD1 ILE 64 -2.424 -14.506 9.541 454 2HD1 ILE 64 2HD1 ILE 64 -1.807 -12.909 10.029 455 3HD1 ILE 64 3HD1 ILE 64 -3.407 -13.455 10.590 456 H ARG 65 HN ARG 65 -0.402 -9.697 6.188 457 HA ARG 65 HA ARG 65 1.167 -12.066 6.140 458 1HB ARG 65 2HB ARG 65 1.103 -9.611 4.715 459 2HB ARG 65 3HB ARG 65 2.634 -9.583 5.568 460 1HG ARG 65 2HG ARG 65 1.828 -12.114 4.122 461 2HG ARG 65 3HG ARG 65 2.414 -10.759 3.177 462 1HD ARG 65 2HD ARG 65 4.439 -11.821 3.623 463 2HD ARG 65 3HD ARG 65 4.376 -10.735 4.997 464 HE ARG 65 HE ARG 65 3.068 -12.916 5.992 465 1HH1 ARG 65 1HH1 ARG 65 5.620 -15.228 6.560 466 2HH1 ARG 65 2HH1 ARG 65 4.010 -14.748 6.982 467 1HH2 ARG 65 1HH2 ARG 65 6.821 -14.009 4.991 468 2HH2 ARG 65 2HH2 ARG 65 6.107 -12.620 4.242 469 H VAL 66 HN VAL 66 0.882 -9.080 8.070 470 HA VAL 66 HA VAL 66 1.790 -8.453 9.986 471 HB VAL 66 HB VAL 66 2.720 -11.329 10.119 472 1HG1 VAL 66 1HG1 VAL 66 2.432 -9.385 12.427 473 2HG1 VAL 66 2HG1 VAL 66 3.138 -11.019 12.446 474 3HG1 VAL 66 3HG1 VAL 66 3.975 -9.697 11.597 475 1HG2 VAL 66 1HG2 VAL 66 0.758 -11.767 11.419 476 2HG2 VAL 66 2HG2 VAL 66 0.334 -10.040 11.479 477 3HG2 VAL 66 3HG2 VAL 66 0.235 -10.928 9.939 478 H TYR 67 HN TYR 67 3.271 -6.900 9.467 479 HA TYR 67 HA TYR 67 6.031 -7.782 9.271 480 1HB TYR 67 2HB TYR 67 4.279 -6.771 7.101 481 2HB TYR 67 3HB TYR 67 5.642 -5.694 7.340 482 HD1 TYR 67 HD1 TYR 67 7.684 -6.163 6.301 483 HD2 TYR 67 HD2 TYR 67 4.849 -9.322 6.840 484 HE1 TYR 67 HE1 TYR 67 9.147 -7.721 4.922 485 HE2 TYR 67 HE2 TYR 67 6.321 -10.869 5.460 486 HH TYR 67 HH TYR 67 9.519 -10.124 4.718 487 H LEU 68 HN LEU 68 3.758 -4.955 9.097 488 HA LEU 68 HA LEU 68 5.515 -3.014 9.897 489 1HB LEU 68 2HB LEU 68 2.553 -3.369 10.274 490 2HB LEU 68 3HB LEU 68 3.383 -1.948 10.871 491 HG LEU 68 HG LEU 68 3.499 -2.826 7.978 492 1HD1 LEU 68 1HD1 LEU 68 1.876 -0.528 8.226 493 2HD1 LEU 68 2HD1 LEU 68 1.405 -2.160 7.692 494 3HD1 LEU 68 3HD1 LEU 68 1.273 -1.712 9.410 495 1HD2 LEU 68 1HD2 LEU 68 5.314 -1.382 8.505 496 2HD2 LEU 68 2HD2 LEU 68 4.101 -0.404 7.645 497 3HD2 LEU 68 3HD2 LEU 68 4.259 -0.273 9.413 498 H GLY 69 HN GLY 69 6.862 -2.961 11.609 499 1HA GLY 69 1HA GLY 69 7.718 -3.542 13.635 500 2HA GLY 69 2HA GLY 69 6.258 -2.750 14.195 501 H ALA 70 HN ALA 70 7.062 -5.953 12.654 502 HA ALA 70 HA ALA 70 5.634 -7.215 14.889 503 1HB ALA 70 1HB ALA 70 5.571 -8.293 12.063 504 2HB ALA 70 2HB ALA 70 4.475 -8.643 13.421 505 3HB ALA 70 3HB ALA 70 4.400 -7.065 12.600 506 H GLU 71 HN GLU 71 7.679 -8.054 11.995 507 HA GLU 71 HA GLU 71 9.366 -9.519 13.872 508 1HB GLU 71 2HB GLU 71 8.219 -11.180 12.577 509 2HB GLU 71 3HB GLU 71 8.430 -10.286 11.084 510 1HG GLU 71 2HG GLU 71 11.038 -10.770 12.269 511 2HG GLU 71 3HG GLU 71 10.158 -12.284 12.196 512 H THR 72 HN THR 72 9.634 -8.745 10.338 513 HA THR 72 HA THR 72 11.446 -7.995 9.220 514 HB THR 72 HB THR 72 11.790 -5.556 9.739 515 HG1 THR 72 1HG THR 72 10.399 -4.942 11.713 516 1HG2 THR 72 1HG2 THR 72 9.628 -4.894 9.181 517 2HG2 THR 72 2HG2 THR 72 9.441 -6.635 8.865 518 3HG2 THR 72 3HG2 THR 72 8.884 -5.945 10.409 519 H THR 73 HN THR 73 12.309 -9.927 11.025 520 HA THR 73 HA THR 73 14.874 -8.749 11.871 521 HB THR 73 HB THR 73 13.108 -9.484 13.689 522 HG1 THR 73 1HG THR 73 15.123 -9.299 14.596 523 1HG2 THR 73 1HG2 THR 73 12.900 -11.773 14.156 524 2HG2 THR 73 2HG2 THR 73 12.960 -11.839 12.377 525 3HG2 THR 73 3HG2 THR 73 14.424 -12.179 13.331 526 H ARG 74 HN ARG 74 13.098 -11.527 10.473 527 HA ARG 74 HA ARG 74 15.678 -12.649 9.774 528 1HB ARG 74 2HB ARG 74 14.421 -14.729 9.270 529 2HB ARG 74 3HB ARG 74 14.050 -14.172 10.889 530 1HG ARG 74 2HG ARG 74 12.156 -12.852 9.262 531 2HG ARG 74 3HG ARG 74 12.268 -14.458 8.567 532 1HD ARG 74 2HD ARG 74 12.220 -14.667 11.475 533 2HD ARG 74 3HD ARG 74 10.873 -13.682 10.939 534 HE ARG 74 HE ARG 74 10.751 -15.786 9.185 535 1HH1 ARG 74 1HH1 ARG 74 9.398 -18.356 11.121 536 2HH1 ARG 74 2HH1 ARG 74 9.650 -17.762 9.514 537 1HH2 ARG 74 1HH2 ARG 74 10.178 -17.145 12.941 538 2HH2 ARG 74 2HH2 ARG 74 11.013 -15.648 12.692 539 H SER 75 HN SER 75 12.790 -11.062 8.516 540 HA SER 75 HA SER 75 13.821 -11.503 5.822 541 1HB SER 75 2HB SER 75 11.263 -12.119 6.831 542 2HB SER 75 3HB SER 75 11.020 -10.627 5.945 543 HG SER 75 HG SER 75 12.470 -11.917 4.256 544 H MET 76 HN MET 76 14.166 -9.378 8.136 545 HA MET 76 HA MET 76 13.018 -7.054 7.739 546 1HB MET 76 2HB MET 76 15.426 -6.058 8.113 547 2HB MET 76 3HB MET 76 14.803 -7.155 9.330 548 1HG MET 76 2HG MET 76 15.981 -8.952 7.605 549 2HG MET 76 3HG MET 76 17.020 -7.561 7.366 550 1HE MET 76 1HE MET 76 18.728 -9.082 7.999 551 2HE MET 76 2HE MET 76 19.378 -9.152 9.655 552 3HE MET 76 3HE MET 76 18.244 -10.403 9.090 553 H GLY 77 HN GLY 77 15.885 -8.129 5.768 554 1HA GLY 77 1HA GLY 77 15.590 -7.856 3.333 555 2HA GLY 77 2HA GLY 77 14.989 -6.245 3.668 556 H LEU 78 HN LEU 78 17.639 -7.709 5.561 557 HA LEU 78 HA LEU 78 19.457 -5.787 4.283 558 1HB LEU 78 2HB LEU 78 19.745 -6.849 7.081 559 2HB LEU 78 3HB LEU 78 20.538 -5.471 6.345 560 HG LEU 78 HG LEU 78 17.683 -5.703 7.292 561 1HD1 LEU 78 1HD1 LEU 78 19.147 -5.067 9.035 562 2HD1 LEU 78 2HD1 LEU 78 20.023 -3.922 7.990 563 3HD1 LEU 78 3HD1 LEU 78 18.351 -3.572 8.488 564 1HD2 LEU 78 1HD2 LEU 78 17.705 -3.189 6.387 565 2HD2 LEU 78 2HD2 LEU 78 18.794 -3.920 5.184 566 3HD2 LEU 78 3HD2 LEU 78 17.150 -4.564 5.403 567 H ALA 79 HN ALA 79 19.562 -8.856 6.235 568 HA ALA 79 HA ALA 79 21.871 -9.674 4.682 569 1HB ALA 79 1HB ALA 79 22.237 -11.228 6.397 570 2HB ALA 79 2HB ALA 79 21.491 -9.866 7.266 571 3HB ALA 79 3HB ALA 79 20.515 -11.294 6.842 572 H TYR 80 HN TYR 80 18.395 -10.377 5.094 573 HA TYR 80 HA TYR 80 18.066 -12.809 4.038 574 1HB TYR 80 2HB TYR 80 15.884 -11.949 3.478 575 2HB TYR 80 3HB TYR 80 16.443 -10.804 4.682 576 HD1 TYR 80 HD1 TYR 80 18.432 -9.305 2.879 577 HD2 TYR 80 HD2 TYR 80 14.377 -10.540 2.289 578 HE1 TYR 80 HE1 TYR 80 18.085 -7.406 1.225 579 HE2 TYR 80 HE2 TYR 80 14.045 -8.636 0.638 580 HH TYR 80 HH TYR 80 16.598 -6.257 0.093 Start of MODEL 7 1 H SER 1 HN SER 1 -5.701 -5.224 10.208 2 HA SER 1 HA SER 1 -5.367 -3.907 7.963 3 1HB SER 1 2HB SER 1 -6.617 -2.054 9.972 4 2HB SER 1 3HB SER 1 -5.326 -1.403 8.982 5 HG SER 1 HG SER 1 -6.642 -1.338 7.295 6 H HIS 2 HN HIS 2 -3.332 -4.937 8.331 7 HA HIS 2 HA HIS 2 -1.530 -3.338 9.920 8 1HB HIS 2 2HB HIS 2 -0.589 -5.358 11.048 9 2HB HIS 2 3HB HIS 2 -2.180 -4.876 11.604 10 HD1 HIS 2 HD1 HIS 2 -0.470 -7.537 9.494 11 HD2 HIS 2 HD2 HIS 2 -4.185 -6.783 11.293 12 HE1 HIS 2 HE1 HIS 2 -1.812 -9.698 9.296 13 H SER 3 HN SER 3 0.824 -4.204 9.554 14 HA SER 3 HA SER 3 2.428 -4.542 8.133 15 1HB SER 3 2HB SER 3 1.982 -6.868 8.180 16 2HB SER 3 3HB SER 3 0.489 -6.702 7.277 17 HG SER 3 HG SER 3 1.581 -6.952 5.458 18 H VAL 4 HN VAL 4 3.134 -4.367 5.740 19 HA VAL 4 HA VAL 4 1.094 -3.221 4.023 20 HB VAL 4 HB VAL 4 2.523 -1.237 3.587 21 1HG1 VAL 4 1HG1 VAL 4 1.485 0.025 5.202 22 2HG1 VAL 4 2HG1 VAL 4 0.551 -1.483 5.346 23 3HG1 VAL 4 3HG1 VAL 4 1.855 -1.130 6.504 24 1HG2 VAL 4 1HG2 VAL 4 4.652 -2.138 4.439 25 2HG2 VAL 4 2HG2 VAL 4 4.236 -0.589 5.212 26 3HG2 VAL 4 3HG2 VAL 4 3.996 -2.116 6.094 27 H LYS 5 HN LYS 5 2.137 -5.715 3.707 28 HA LYS 5 HA LYS 5 4.561 -5.678 2.219 29 1HB LYS 5 2HB LYS 5 3.796 -7.612 3.558 30 2HB LYS 5 3HB LYS 5 2.434 -7.825 2.477 31 1HG LYS 5 2HG LYS 5 3.753 -9.103 1.149 32 2HG LYS 5 3HG LYS 5 4.684 -7.670 0.762 33 1HD LYS 5 2HD LYS 5 5.472 -8.645 3.390 34 2HD LYS 5 3HD LYS 5 5.541 -9.965 2.238 35 1HE LYS 5 2HE LYS 5 6.797 -8.259 0.682 36 2HE LYS 5 3HE LYS 5 7.013 -7.306 2.137 37 1HZ LYS 5 1HZ LYS 5 7.671 -9.909 2.763 38 2HZ LYS 5 2HZ LYS 5 8.408 -9.582 1.343 39 3HZ LYS 5 3HZ LYS 5 8.678 -8.629 2.642 40 H ILE 6 HN ILE 6 4.857 -5.931 -0.047 41 HA ILE 6 HA ILE 6 3.145 -4.421 -1.617 42 HB ILE 6 HB ILE 6 5.236 -6.469 -2.353 43 1HG1 ILE 6 2HG1 ILE 6 6.235 -3.984 -2.943 44 2HG1 ILE 6 3HG1 ILE 6 5.299 -3.645 -1.500 45 1HG2 ILE 6 1HG2 ILE 6 3.421 -5.853 -4.119 46 2HG2 ILE 6 2HG2 ILE 6 4.296 -4.305 -4.210 47 3HG2 ILE 6 3HG2 ILE 6 5.143 -5.830 -4.570 48 1HD1 ILE 6 1HD1 ILE 6 6.603 -6.070 -0.903 49 2HD1 ILE 6 2HD1 ILE 6 7.823 -5.107 -1.769 50 3HD1 ILE 6 3HD1 ILE 6 7.049 -4.454 -0.305 51 H TYR 7 HN TYR 7 1.155 -4.818 -2.407 52 HA TYR 7 HA TYR 7 0.508 -7.362 -3.508 53 1HB TYR 7 2HB TYR 7 -0.555 -6.350 -0.812 54 2HB TYR 7 3HB TYR 7 -1.514 -7.456 -1.775 55 HD1 TYR 7 HD1 TYR 7 0.207 -7.530 1.046 56 HD2 TYR 7 HD2 TYR 7 0.457 -9.357 -2.814 57 HE1 TYR 7 HE1 TYR 7 1.458 -9.501 2.053 58 HE2 TYR 7 HE2 TYR 7 1.708 -11.323 -1.794 59 HH TYR 7 HH TYR 7 3.046 -11.810 0.105 60 H ASP 8 HN ASP 8 -1.849 -7.378 -4.278 61 HA ASP 8 HA ASP 8 -2.357 -4.763 -5.331 62 1HB ASP 8 2HB ASP 8 -3.850 -5.863 -6.850 63 2HB ASP 8 3HB ASP 8 -2.482 -6.943 -6.665 64 H THR 9 HN THR 9 -2.749 -4.806 -2.532 65 HA THR 9 HA THR 9 -5.570 -5.291 -2.032 66 HB THR 9 HB THR 9 -4.071 -6.008 -0.288 67 HG1 THR 9 1HG THR 9 -5.539 -4.910 0.959 68 1HG2 THR 9 1HG2 THR 9 -1.990 -5.015 -0.271 69 2HG2 THR 9 2HG2 THR 9 -2.603 -3.527 -1.029 70 3HG2 THR 9 3HG2 THR 9 -2.772 -3.765 0.726 71 H CYS 10 HN CYS 10 -6.695 -3.805 -3.294 72 HA CYS 10 HA CYS 10 -6.807 -1.209 -2.120 73 1HB CYS 10 2HB CYS 10 -4.892 -1.177 -3.905 74 2HB CYS 10 3HB CYS 10 -6.200 -1.180 -5.070 75 H ILE 11 HN ILE 11 -8.980 -0.706 -2.109 76 HA ILE 11 HA ILE 11 -10.641 -2.092 -4.096 77 HB ILE 11 HB ILE 11 -12.339 -2.277 -2.529 78 1HG1 ILE 11 2HG1 ILE 11 -12.147 0.111 -1.740 79 2HG1 ILE 11 3HG1 ILE 11 -12.592 -1.063 -0.518 80 1HG2 ILE 11 1HG2 ILE 11 -10.781 -3.935 -2.000 81 2HG2 ILE 11 2HG2 ILE 11 -9.650 -2.774 -1.265 82 3HG2 ILE 11 3HG2 ILE 11 -11.167 -3.187 -0.432 83 1HD1 ILE 11 1HD1 ILE 11 -9.976 0.399 -0.884 84 2HD1 ILE 11 2HD1 ILE 11 -10.924 0.137 0.600 85 3HD1 ILE 11 3HD1 ILE 11 -9.970 -1.197 -0.094 86 H GLY 12 HN GLY 12 -9.471 0.951 -2.874 87 1HA GLY 12 1HA GLY 12 -10.042 2.610 -4.801 88 2HA GLY 12 2HA GLY 12 -11.656 2.443 -4.140 89 H CYS 13 HN CYS 13 -10.803 2.073 -1.328 90 HA CYS 13 HA CYS 13 -11.008 4.547 -0.358 91 1HB CYS 13 2HB CYS 13 -10.925 3.396 1.546 92 2HB CYS 13 3HB CYS 13 -10.300 2.001 0.688 93 H THR 14 HN THR 14 -9.395 6.095 0.592 94 HA THR 14 HA THR 14 -6.903 6.081 -0.981 95 HB THR 14 HB THR 14 -8.546 7.893 -1.546 96 HG1 THR 14 1HG THR 14 -6.080 8.111 -1.332 97 1HG2 THR 14 1HG2 THR 14 -9.184 9.560 0.046 98 2HG2 THR 14 2HG2 THR 14 -9.433 8.031 0.921 99 3HG2 THR 14 3HG2 THR 14 -7.978 9.006 1.232 100 H GLN 15 HN GLN 15 -6.907 4.479 1.259 101 HA GLN 15 HA GLN 15 -5.464 6.171 3.149 102 1HB GLN 15 2HB GLN 15 -6.424 5.072 4.913 103 2HB GLN 15 3HB GLN 15 -7.684 4.726 3.744 104 1HG GLN 15 2HG GLN 15 -6.442 2.576 3.154 105 2HG GLN 15 3HG GLN 15 -5.343 2.908 4.477 106 1HE2 GLN 15 1HE2 GLN 15 -6.534 0.625 4.685 107 2HE2 GLN 15 2HE2 GLN 15 -7.829 0.601 5.834 108 H CYS 16 HN CYS 16 -3.487 5.279 4.090 109 HA CYS 16 HA CYS 16 -1.776 3.830 4.236 110 1HB CYS 16 2HB CYS 16 -1.807 1.723 3.402 111 2HB CYS 16 3HB CYS 16 -3.501 2.081 3.135 112 H VAL 17 HN VAL 17 -2.998 5.041 1.086 113 HA VAL 17 HA VAL 17 -0.313 5.350 0.061 114 HB VAL 17 HB VAL 17 -2.881 6.350 -1.158 115 1HG1 VAL 17 1HG1 VAL 17 -1.566 5.685 -3.269 116 2HG1 VAL 17 2HG1 VAL 17 -1.030 7.133 -2.383 117 3HG1 VAL 17 3HG1 VAL 17 -0.145 5.600 -2.200 118 1HG2 VAL 17 1HG2 VAL 17 -1.763 3.529 -1.253 119 2HG2 VAL 17 2HG2 VAL 17 -3.319 4.045 -0.563 120 3HG2 VAL 17 3HG2 VAL 17 -3.047 4.151 -2.318 121 H ARG 18 HN ARG 18 -2.286 6.979 2.257 122 HA ARG 18 HA ARG 18 -1.148 9.532 1.451 123 1HB ARG 18 2HB ARG 18 -3.779 8.737 2.474 124 2HB ARG 18 3HB ARG 18 -3.072 9.962 3.508 125 1HG ARG 18 2HG ARG 18 -4.211 11.229 1.859 126 2HG ARG 18 3HG ARG 18 -2.544 11.269 1.320 127 1HD ARG 18 2HD ARG 18 -3.793 8.893 0.228 128 2HD ARG 18 3HD ARG 18 -4.839 10.261 -0.095 129 HE ARG 18 HE ARG 18 -2.382 11.266 -0.789 130 1HH1 ARG 18 1HH1 ARG 18 -1.749 9.753 -3.869 131 2HH1 ARG 18 2HH1 ARG 18 -1.374 11.090 -2.832 132 1HH2 ARG 18 1HH2 ARG 18 -3.272 8.142 -3.182 133 2HH2 ARG 18 2HH2 ARG 18 -4.035 8.277 -1.633 134 H ALA 19 HN ALA 19 -2.106 7.612 4.398 135 HA ALA 19 HA ALA 19 -0.487 9.120 6.146 136 1HB ALA 19 1HB ALA 19 -1.449 6.264 6.533 137 2HB ALA 19 2HB ALA 19 -1.144 7.502 7.776 138 3HB ALA 19 3HB ALA 19 -2.530 7.670 6.673 139 H CYS 20 HN CYS 20 1.576 9.261 5.032 140 HA CYS 20 HA CYS 20 3.411 7.395 5.926 141 1HB CYS 20 2HB CYS 20 2.412 5.889 4.230 142 2HB CYS 20 3HB CYS 20 2.793 7.049 2.973 143 HA PRO 21 HA PRO 21 5.001 11.387 4.648 144 1HB PRO 21 2HB PRO 21 6.599 11.805 6.823 145 2HB PRO 21 3HB PRO 21 4.934 12.343 6.741 146 1HG PRO 21 2HG PRO 21 6.073 10.059 8.234 147 2HG PRO 21 3HG PRO 21 4.531 10.862 8.462 148 1HD PRO 21 2HD PRO 21 4.975 8.329 7.190 149 2HD PRO 21 3HD PRO 21 3.451 9.186 7.317 150 H LEU 22 HN LEU 22 6.424 8.393 5.273 151 HA LEU 22 HA LEU 22 9.039 9.259 4.416 152 1HB LEU 22 2HB LEU 22 7.855 6.593 5.181 153 2HB LEU 22 3HB LEU 22 9.490 6.767 4.574 154 HG LEU 22 HG LEU 22 8.757 8.509 6.869 155 1HD1 LEU 22 1HD1 LEU 22 7.638 6.456 7.527 156 2HD1 LEU 22 2HD1 LEU 22 9.110 5.516 7.186 157 3HD1 LEU 22 3HD1 LEU 22 9.100 6.707 8.509 158 1HD2 LEU 22 1HD2 LEU 22 11.106 7.653 5.549 159 2HD2 LEU 22 2HD2 LEU 22 10.960 8.728 6.960 160 3HD2 LEU 22 3HD2 LEU 22 11.159 6.974 7.192 161 H ASP 23 HN ASP 23 6.197 9.019 2.827 162 HA ASP 23 HA ASP 23 5.537 8.466 0.818 163 1HB ASP 23 2HB ASP 23 6.980 9.277 -1.012 164 2HB ASP 23 3HB ASP 23 7.009 10.399 0.334 165 H VAL 24 HN VAL 24 5.713 6.070 1.678 166 HA VAL 24 HA VAL 24 7.803 4.610 0.235 167 HB VAL 24 HB VAL 24 5.983 3.738 2.488 168 1HG1 VAL 24 1HG1 VAL 24 7.806 1.902 2.640 169 2HG1 VAL 24 2HG1 VAL 24 6.570 1.771 1.366 170 3HG1 VAL 24 3HG1 VAL 24 8.200 2.367 0.968 171 1HG2 VAL 24 1HG2 VAL 24 7.828 4.014 3.980 172 2HG2 VAL 24 2HG2 VAL 24 8.945 4.366 2.640 173 3HG2 VAL 24 3HG2 VAL 24 7.670 5.533 3.064 174 H LEU 25 HN LEU 25 4.270 4.400 1.072 175 HA LEU 25 HA LEU 25 3.739 2.486 -0.913 176 1HB LEU 25 2HB LEU 25 1.839 4.425 0.413 177 2HB LEU 25 3HB LEU 25 1.409 2.950 -0.430 178 HG LEU 25 HG LEU 25 3.111 1.948 1.438 179 1HD1 LEU 25 1HD1 LEU 25 2.117 3.149 3.591 180 2HD1 LEU 25 2HD1 LEU 25 3.615 3.699 2.803 181 3HD1 LEU 25 3HD1 LEU 25 2.080 4.543 2.485 182 1HD2 LEU 25 1HD2 LEU 25 0.311 1.954 0.910 183 2HD2 LEU 25 2HD2 LEU 25 1.288 0.732 1.759 184 3HD2 LEU 25 3HD2 LEU 25 0.546 2.069 2.670 185 H GLU 26 HN GLU 26 4.087 2.811 -3.046 186 HA GLU 26 HA GLU 26 3.234 5.405 -4.077 187 1HB GLU 26 2HB GLU 26 5.510 3.624 -5.053 188 2HB GLU 26 3HB GLU 26 4.972 5.076 -5.874 189 1HG GLU 26 2HG GLU 26 5.389 6.323 -3.642 190 2HG GLU 26 3HG GLU 26 6.208 4.874 -3.095 191 H MET 27 HN MET 27 3.295 4.869 -6.820 192 HA MET 27 HA MET 27 1.089 3.012 -6.979 193 1HB MET 27 2HB MET 27 0.967 4.047 -9.365 194 2HB MET 27 3HB MET 27 0.653 5.139 -8.032 195 1HG MET 27 2HG MET 27 2.688 6.271 -8.284 196 2HG MET 27 3HG MET 27 3.513 4.872 -8.941 197 1HE MET 27 1HE MET 27 0.531 7.651 -10.736 198 2HE MET 27 2HE MET 27 1.377 7.688 -9.170 199 3HE MET 27 3HE MET 27 2.142 8.397 -10.612 200 H VAL 28 HN VAL 28 1.143 1.068 -8.099 201 HA VAL 28 HA VAL 28 3.622 0.505 -9.570 202 HB VAL 28 HB VAL 28 3.881 -1.538 -8.553 203 1HG1 VAL 28 1HG1 VAL 28 2.697 -0.567 -6.056 204 2HG1 VAL 28 2HG1 VAL 28 4.399 -0.879 -6.473 205 3HG1 VAL 28 3HG1 VAL 28 3.648 0.678 -6.902 206 1HG2 VAL 28 1HG2 VAL 28 0.987 -1.389 -7.646 207 2HG2 VAL 28 2HG2 VAL 28 1.660 -2.435 -8.919 208 3HG2 VAL 28 3HG2 VAL 28 2.123 -2.692 -7.219 209 HA PRO 29 HA PRO 29 1.029 -1.000 -12.684 210 1HB PRO 29 2HB PRO 29 2.317 -3.198 -13.673 211 2HB PRO 29 3HB PRO 29 2.788 -1.556 -14.062 212 1HG PRO 29 2HG PRO 29 4.102 -3.478 -12.240 213 2HG PRO 29 3HG PRO 29 4.761 -2.025 -12.964 214 1HD PRO 29 2HD PRO 29 3.875 -2.343 -10.254 215 2HD PRO 29 3HD PRO 29 4.427 -0.861 -11.010 216 H TRP 30 HN TRP 30 -1.003 -1.611 -12.321 217 HA TRP 30 HA TRP 30 -1.258 -4.363 -11.327 218 1HB TRP 30 2HB TRP 30 -1.670 -2.853 -9.476 219 2HB TRP 30 3HB TRP 30 -2.822 -1.938 -10.427 220 HD1 TRP 30 HD1 TRP 30 -5.274 -2.586 -9.837 221 HE1 TRP 30 HE1 TRP 30 -6.624 -4.685 -8.980 222 HE3 TRP 30 HE3 TRP 30 -1.287 -5.738 -9.668 223 HZ2 TRP 30 HZ2 TRP 30 -5.889 -7.369 -8.342 224 HZ3 TRP 30 HZ3 TRP 30 -1.690 -8.081 -8.916 225 HH2 TRP 30 HH2 TRP 30 -3.896 -8.911 -8.267 226 H ASP 31 HN ASP 31 -3.734 -5.035 -11.738 227 HA ASP 31 HA ASP 31 -4.597 -3.846 -14.238 228 1HB ASP 31 2HB ASP 31 -3.205 -6.142 -14.347 229 2HB ASP 31 3HB ASP 31 -4.746 -6.844 -13.896 230 H GLY 32 HN GLY 32 -5.947 -3.041 -12.134 231 1HA GLY 32 1HA GLY 32 -8.424 -4.569 -12.155 232 2HA GLY 32 2HA GLY 32 -7.620 -4.434 -10.603 233 H CYS 33 HN CYS 33 -6.436 -1.749 -11.171 234 HA CYS 33 HA CYS 33 -8.719 -0.233 -10.377 235 1HB CYS 33 2HB CYS 33 -5.941 -0.047 -9.988 236 2HB CYS 33 3HB CYS 33 -6.352 1.356 -10.953 237 HG CYS 33 HG CYS 33 -6.492 1.101 -7.981 238 H LYS 34 HN LYS 34 -9.028 2.032 -11.512 239 HA LYS 34 HA LYS 34 -9.726 1.521 -14.187 240 1HB LYS 34 2HB LYS 34 -10.160 3.554 -12.201 241 2HB LYS 34 3HB LYS 34 -9.676 4.322 -13.699 242 1HG LYS 34 2HG LYS 34 -11.715 2.097 -13.833 243 2HG LYS 34 3HG LYS 34 -12.234 3.659 -13.231 244 1HD LYS 34 2HD LYS 34 -12.524 4.229 -15.419 245 2HD LYS 34 3HD LYS 34 -10.779 4.387 -15.482 246 1HE LYS 34 2HE LYS 34 -10.624 1.938 -16.118 247 2HE LYS 34 3HE LYS 34 -12.375 1.869 -16.156 248 1HZ LYS 34 1HZ LYS 34 -11.566 2.290 -18.324 249 2HZ LYS 34 2HZ LYS 34 -12.295 3.660 -17.814 250 3HZ LYS 34 3HZ LYS 34 -10.665 3.563 -17.838 251 H ALA 35 HN ALA 35 -6.780 2.573 -12.621 252 HA ALA 35 HA ALA 35 -5.713 3.344 -15.250 253 1HB ALA 35 1HB ALA 35 -4.206 4.799 -14.117 254 2HB ALA 35 2HB ALA 35 -5.789 5.065 -13.347 255 3HB ALA 35 3HB ALA 35 -4.562 4.063 -12.536 256 H GLY 36 HN GLY 36 -6.142 0.603 -13.900 257 1HA GLY 36 1HA GLY 36 -4.963 -1.274 -13.424 258 2HA GLY 36 2HA GLY 36 -4.087 -0.816 -14.870 259 H GLN 37 HN GLN 37 -4.205 0.603 -11.522 260 HA GLN 37 HA GLN 37 -1.496 -0.218 -11.107 261 1HB GLN 37 2HB GLN 37 -0.667 2.089 -10.661 262 2HB GLN 37 3HB GLN 37 -1.119 1.862 -12.339 263 1HG GLN 37 2HG GLN 37 -2.506 3.645 -12.161 264 2HG GLN 37 3HG GLN 37 -3.502 2.716 -11.057 265 1HE2 GLN 37 1HE2 GLN 37 -3.680 3.329 -9.023 266 2HE2 GLN 37 2HE2 GLN 37 -2.731 4.536 -8.221 267 H ILE 38 HN ILE 38 -1.380 -0.892 -9.008 268 HA ILE 38 HA ILE 38 -3.389 0.193 -7.172 269 HB ILE 38 HB ILE 38 -2.926 -2.372 -7.833 270 1HG1 ILE 38 2HG1 ILE 38 -3.685 -2.312 -5.058 271 2HG1 ILE 38 3HG1 ILE 38 -4.392 -0.932 -5.873 272 1HG2 ILE 38 1HG2 ILE 38 -1.421 -3.486 -6.560 273 2HG2 ILE 38 2HG2 ILE 38 -0.598 -1.908 -6.589 274 3HG2 ILE 38 3HG2 ILE 38 -1.585 -2.371 -5.183 275 1HD1 ILE 38 1HD1 ILE 38 -5.892 -2.886 -6.030 276 2HD1 ILE 38 2HD1 ILE 38 -5.300 -2.435 -7.648 277 3HD1 ILE 38 3HD1 ILE 38 -4.597 -3.834 -6.800 278 H ALA 39 HN ALA 39 -2.777 0.971 -5.103 279 HA ALA 39 HA ALA 39 -0.143 2.110 -5.082 280 1HB ALA 39 1HB ALA 39 -0.964 3.217 -3.036 281 2HB ALA 39 2HB ALA 39 -2.145 3.367 -4.360 282 3HB ALA 39 3HB ALA 39 -2.416 2.187 -3.055 283 H SER 40 HN SER 40 1.557 0.794 -4.601 284 HA SER 40 HA SER 40 1.216 -0.847 -2.219 285 1HB SER 40 2HB SER 40 3.014 -1.768 -4.465 286 2HB SER 40 3HB SER 40 2.250 -2.718 -3.206 287 HG SER 40 HG SER 40 1.207 -1.819 -5.682 288 H SER 41 HN SER 41 3.901 -1.815 -2.094 289 HA SER 41 HA SER 41 5.350 0.709 -1.875 290 1HB SER 41 2HB SER 41 4.780 -0.159 0.348 291 2HB SER 41 3HB SER 41 5.435 -1.734 -0.053 292 HG SER 41 HG SER 41 7.001 -0.599 1.152 293 HA PRO 42 HA PRO 42 7.725 -1.906 -4.664 294 1HB PRO 42 2HB PRO 42 8.476 0.067 -6.400 295 2HB PRO 42 3HB PRO 42 7.036 -0.906 -6.621 296 1HG PRO 42 2HG PRO 42 7.256 1.897 -5.710 297 2HG PRO 42 3HG PRO 42 5.854 1.053 -6.338 298 1HD PRO 42 2HD PRO 42 6.391 1.684 -3.591 299 2HD PRO 42 3HD PRO 42 5.049 0.740 -4.207 300 H ARG 43 HN ARG 43 8.892 1.404 -4.203 301 HA ARG 43 HA ARG 43 11.489 0.299 -3.746 302 1HB ARG 43 2HB ARG 43 10.408 3.154 -3.851 303 2HB ARG 43 3HB ARG 43 12.083 2.806 -3.473 304 1HG ARG 43 2HG ARG 43 12.414 1.705 -5.639 305 2HG ARG 43 3HG ARG 43 10.703 1.803 -6.004 306 1HD ARG 43 2HD ARG 43 10.787 4.233 -6.165 307 2HD ARG 43 3HD ARG 43 12.406 4.285 -5.499 308 HE ARG 43 HE ARG 43 11.662 3.553 -8.255 309 1HH1 ARG 43 1HH1 ARG 43 15.002 3.205 -9.206 310 2HH1 ARG 43 2HH1 ARG 43 13.364 3.305 -9.760 311 1HH2 ARG 43 1HH2 ARG 43 15.468 3.323 -6.936 312 2HH2 ARG 43 2HH2 ARG 43 14.178 3.511 -5.795 313 H THR 44 HN THR 44 11.054 -0.853 -1.711 314 HA THR 44 HA THR 44 10.126 0.652 0.557 315 HB THR 44 HB THR 44 11.331 -2.155 0.314 316 HG1 THR 44 1HG THR 44 9.333 -1.438 -0.983 317 1HG2 THR 44 1HG2 THR 44 10.827 -2.396 2.529 318 2HG2 THR 44 2HG2 THR 44 10.500 -0.647 2.603 319 3HG2 THR 44 3HG2 THR 44 9.180 -1.786 2.244 320 H GLU 45 HN GLU 45 12.862 1.049 -1.102 321 HA GLU 45 HA GLU 45 14.970 0.589 0.476 322 1HB GLU 45 2HB GLU 45 16.076 2.418 -0.646 323 2HB GLU 45 3HB GLU 45 14.955 1.708 -1.790 324 1HG GLU 45 2HG GLU 45 13.335 3.489 -1.444 325 2HG GLU 45 3HG GLU 45 14.217 4.111 -0.063 326 H ASP 46 HN ASP 46 12.291 2.789 1.093 327 HA ASP 46 HA ASP 46 13.786 4.015 3.252 328 1HB ASP 46 2HB ASP 46 11.773 4.923 1.434 329 2HB ASP 46 3HB ASP 46 11.018 4.904 3.016 330 H CYS 47 HN CYS 47 11.433 4.646 4.881 331 HA CYS 47 HA CYS 47 10.029 3.812 6.360 332 1HB CYS 47 2HB CYS 47 8.998 2.503 4.524 333 2HB CYS 47 3HB CYS 47 10.120 1.192 4.827 334 H VAL 48 HN VAL 48 10.396 2.970 8.462 335 HA VAL 48 HA VAL 48 12.555 1.049 8.777 336 HB VAL 48 HB VAL 48 13.725 3.138 8.847 337 1HG1 VAL 48 1HG1 VAL 48 13.071 5.056 9.928 338 2HG1 VAL 48 2HG1 VAL 48 11.477 4.369 9.537 339 3HG1 VAL 48 3HG1 VAL 48 12.151 4.178 11.173 340 1HG2 VAL 48 1HG2 VAL 48 14.939 2.689 10.715 341 2HG2 VAL 48 2HG2 VAL 48 13.509 2.665 11.775 342 3HG2 VAL 48 3HG2 VAL 48 13.892 1.249 10.766 343 H GLY 49 HN GLY 49 10.060 3.169 10.320 344 1HA GLY 49 1HA GLY 49 8.545 1.162 11.415 345 2HA GLY 49 2HA GLY 49 9.784 1.480 12.613 346 H CYS 50 HN CYS 50 7.694 3.437 10.360 347 HA CYS 50 HA CYS 50 7.287 5.279 12.594 348 1HB CYS 50 2HB CYS 50 7.442 6.993 11.158 349 2HB CYS 50 3HB CYS 50 8.138 5.840 10.037 350 H LYS 51 HN LYS 51 5.296 5.176 13.578 351 HA LYS 51 HA LYS 51 3.275 3.506 12.419 352 1HB LYS 51 2HB LYS 51 3.762 3.454 14.822 353 2HB LYS 51 3HB LYS 51 3.324 5.144 14.971 354 1HG LYS 51 2HG LYS 51 1.134 3.911 13.631 355 2HG LYS 51 3HG LYS 51 1.588 2.797 14.905 356 1HD LYS 51 2HD LYS 51 1.594 5.596 15.836 357 2HD LYS 51 3HD LYS 51 0.030 5.120 15.204 358 1HE LYS 51 2HE LYS 51 0.329 2.960 16.672 359 2HE LYS 51 3HE LYS 51 1.592 3.860 17.488 360 1HZ LYS 51 1HZ LYS 51 -1.175 4.112 17.765 361 2HZ LYS 51 2HZ LYS 51 0.006 4.828 18.637 362 3HZ LYS 51 3HZ LYS 51 -0.563 5.548 17.286 363 H ARG 52 HN ARG 52 2.497 4.441 10.524 364 HA ARG 52 HA ARG 52 0.941 6.826 11.011 365 1HB ARG 52 2HB ARG 52 3.302 6.642 9.256 366 2HB ARG 52 3HB ARG 52 1.881 7.140 8.359 367 1HG ARG 52 2HG ARG 52 2.566 9.221 9.119 368 2HG ARG 52 3HG ARG 52 1.535 8.773 10.464 369 1HD ARG 52 2HD ARG 52 3.594 7.804 11.625 370 2HD ARG 52 3HD ARG 52 4.572 8.457 10.326 371 HE ARG 52 HE ARG 52 2.987 10.601 11.254 372 1HH1 ARG 52 1HH1 ARG 52 5.072 11.726 13.816 373 2HH1 ARG 52 2HH1 ARG 52 3.759 12.134 12.762 374 1HH2 ARG 52 1HH2 ARG 52 6.047 9.624 13.697 375 2HH2 ARG 52 2HH2 ARG 52 5.462 8.462 12.554 376 H CYS 53 HN CYS 53 1.894 4.240 8.643 377 HA CYS 53 HA CYS 53 -0.412 4.390 7.103 378 1HB CYS 53 2HB CYS 53 0.230 1.982 6.477 379 2HB CYS 53 3HB CYS 53 1.385 3.253 6.125 380 H GLU 54 HN GLU 54 0.463 1.623 9.296 381 HA GLU 54 HA GLU 54 -0.852 0.193 10.322 382 1HB GLU 54 2HB GLU 54 -0.561 2.265 11.865 383 2HB GLU 54 3HB GLU 54 -2.236 2.629 11.498 384 1HG GLU 54 2HG GLU 54 -2.562 0.030 12.151 385 2HG GLU 54 3HG GLU 54 -1.089 0.318 13.056 386 H THR 55 HN THR 55 -1.852 0.907 7.666 387 HA THR 55 HA THR 55 -4.692 0.324 8.132 388 HB THR 55 HB THR 55 -5.155 1.868 6.156 389 HG1 THR 55 1HG THR 55 -2.469 2.799 6.823 390 1HG2 THR 55 1HG2 THR 55 -4.013 3.975 7.593 391 2HG2 THR 55 2HG2 THR 55 -5.625 3.288 7.904 392 3HG2 THR 55 3HG2 THR 55 -4.221 2.722 8.841 393 H ALA 56 HN ALA 56 -2.918 0.845 5.061 394 HA ALA 56 HA ALA 56 -2.232 -0.608 3.513 395 1HB ALA 56 1HB ALA 56 -1.959 -2.122 5.796 396 2HB ALA 56 2HB ALA 56 -3.093 -3.107 4.841 397 3HB ALA 56 3HB ALA 56 -1.509 -2.660 4.160 398 H CYS 57 HN CYS 57 -5.198 -1.830 5.228 399 HA CYS 57 HA CYS 57 -6.960 -1.066 3.285 400 1HB CYS 57 2HB CYS 57 -5.423 -3.209 2.287 401 2HB CYS 57 3HB CYS 57 -6.961 -3.917 2.739 402 HA PRO 58 HA PRO 58 -9.345 -2.578 6.608 403 1HB PRO 58 2HB PRO 58 -11.866 -2.252 5.604 404 2HB PRO 58 3HB PRO 58 -10.937 -0.942 6.306 405 1HG PRO 58 2HG PRO 58 -11.508 -1.492 3.457 406 2HG PRO 58 3HG PRO 58 -10.963 -0.001 4.201 407 1HD PRO 58 2HD PRO 58 -9.368 -1.852 2.698 408 2HD PRO 58 3HD PRO 58 -8.803 -0.422 3.538 409 H THR 59 HN THR 59 -8.110 -4.643 5.492 410 HA THR 59 HA THR 59 -8.277 -6.833 5.146 411 HB THR 59 HB THR 59 -9.775 -7.964 6.587 412 HG1 THR 59 1HG THR 59 -11.801 -7.454 5.750 413 1HG2 THR 59 1HG2 THR 59 -9.631 -6.781 8.553 414 2HG2 THR 59 2HG2 THR 59 -8.792 -5.545 7.584 415 3HG2 THR 59 3HG2 THR 59 -10.542 -5.408 7.882 416 H ASP 60 HN ASP 60 -8.596 -8.056 3.372 417 HA ASP 60 HA ASP 60 -10.812 -8.596 2.075 418 1HB ASP 60 2HB ASP 60 -10.128 -5.779 1.603 419 2HB ASP 60 3HB ASP 60 -10.160 -6.673 0.096 420 H PHE 61 HN PHE 61 -7.440 -7.540 1.978 421 HA PHE 61 HA PHE 61 -6.923 -9.555 -0.083 422 1HB PHE 61 2HB PHE 61 -6.091 -6.630 0.176 423 2HB PHE 61 3HB PHE 61 -4.987 -7.741 -0.613 424 HD1 PHE 61 1HD PHE 61 -7.789 -5.621 -1.054 425 HD2 PHE 61 2HD PHE 61 -5.954 -9.131 -2.581 426 HE1 PHE 61 1HE PHE 61 -9.045 -5.341 -3.209 427 HE2 PHE 61 2HE PHE 61 -7.210 -8.850 -4.736 428 HZ PHE 61 HZ PHE 61 -8.740 -6.958 -5.024 429 H LEU 62 HN LEU 62 -4.923 -7.213 1.841 430 HA LEU 62 HA LEU 62 -2.815 -8.838 2.306 431 1HB LEU 62 2HB LEU 62 -2.222 -7.396 4.077 432 2HB LEU 62 3HB LEU 62 -3.013 -6.432 2.845 433 HG LEU 62 HG LEU 62 -4.826 -7.411 4.957 434 1HD1 LEU 62 1HD1 LEU 62 -2.348 -5.920 5.640 435 2HD1 LEU 62 2HD1 LEU 62 -3.866 -5.350 6.375 436 3HD1 LEU 62 3HD1 LEU 62 -3.335 -7.031 6.620 437 1HD2 LEU 62 1HD2 LEU 62 -5.944 -5.464 4.567 438 2HD2 LEU 62 2HD2 LEU 62 -4.458 -4.533 4.262 439 3HD2 LEU 62 3HD2 LEU 62 -5.095 -5.626 3.011 440 H SER 63 HN SER 63 -2.328 -10.615 3.523 441 HA SER 63 HA SER 63 -3.359 -11.300 5.897 442 1HB SER 63 2HB SER 63 -5.000 -13.185 5.175 443 2HB SER 63 3HB SER 63 -5.598 -11.538 5.207 444 HG SER 63 HG SER 63 -5.158 -13.257 3.016 445 H ILE 64 HN ILE 64 -0.927 -11.461 4.471 446 HA ILE 64 HA ILE 64 -0.544 -14.366 4.436 447 HB ILE 64 HB ILE 64 0.449 -12.364 2.411 448 1HG1 ILE 64 2HG1 ILE 64 -0.635 -14.632 1.169 449 2HG1 ILE 64 3HG1 ILE 64 -1.732 -14.286 2.492 450 1HG2 ILE 64 1HG2 ILE 64 1.780 -14.697 3.396 451 2HG2 ILE 64 2HG2 ILE 64 1.251 -14.996 1.723 452 3HG2 ILE 64 3HG2 ILE 64 2.270 -13.585 2.096 453 1HD1 ILE 64 1HD1 ILE 64 -2.197 -12.089 1.708 454 2HD1 ILE 64 2HD1 ILE 64 -0.749 -12.060 0.674 455 3HD1 ILE 64 3HD1 ILE 64 -2.143 -13.073 0.226 456 H ARG 65 HN ARG 65 1.547 -11.431 4.004 457 HA ARG 65 HA ARG 65 3.234 -12.530 6.065 458 1HB ARG 65 2HB ARG 65 3.551 -10.498 3.859 459 2HB ARG 65 3HB ARG 65 4.583 -10.312 5.263 460 1HG ARG 65 2HG ARG 65 4.562 -13.111 4.530 461 2HG ARG 65 3HG ARG 65 4.865 -12.171 3.081 462 1HD ARG 65 2HD ARG 65 6.903 -11.370 3.849 463 2HD ARG 65 3HD ARG 65 6.377 -11.306 5.520 464 HE ARG 65 HE ARG 65 7.280 -13.431 5.815 465 1HH1 ARG 65 1HH1 ARG 65 8.076 -15.959 3.546 466 2HH1 ARG 65 2HH1 ARG 65 8.132 -15.461 5.203 467 1HH2 ARG 65 1HH2 ARG 65 7.138 -14.564 1.946 468 2HH2 ARG 65 2HH2 ARG 65 6.493 -13.024 2.410 469 H VAL 66 HN VAL 66 3.993 -11.168 7.888 470 HA VAL 66 HA VAL 66 2.123 -8.975 8.473 471 HB VAL 66 HB VAL 66 1.711 -11.057 9.765 472 1HG1 VAL 66 1HG1 VAL 66 3.259 -11.910 11.348 473 2HG1 VAL 66 2HG1 VAL 66 4.175 -11.705 9.835 474 3HG1 VAL 66 3HG1 VAL 66 4.349 -10.517 11.149 475 1HG2 VAL 66 1HG2 VAL 66 2.733 -8.803 11.518 476 2HG2 VAL 66 2HG2 VAL 66 1.198 -8.745 10.617 477 3HG2 VAL 66 3HG2 VAL 66 1.441 -9.971 11.885 478 H TYR 67 HN TYR 67 3.016 -7.212 9.773 479 HA TYR 67 HA TYR 67 5.927 -7.179 9.953 480 1HB TYR 67 2HB TYR 67 4.077 -5.658 8.134 481 2HB TYR 67 3HB TYR 67 5.208 -4.634 8.994 482 HD1 TYR 67 HD1 TYR 67 5.054 -7.647 6.787 483 HD2 TYR 67 HD2 TYR 67 7.412 -4.374 8.213 484 HE1 TYR 67 HE1 TYR 67 6.856 -8.191 5.079 485 HE2 TYR 67 HE2 TYR 67 9.207 -4.929 6.500 486 HH TYR 67 HH TYR 67 8.637 -7.189 3.962 487 H LEU 68 HN LEU 68 2.923 -5.161 10.344 488 HA LEU 68 HA LEU 68 3.739 -3.415 12.200 489 1HB LEU 68 2HB LEU 68 1.228 -4.642 11.419 490 2HB LEU 68 3HB LEU 68 1.231 -4.219 13.121 491 HG LEU 68 HG LEU 68 0.289 -2.427 11.771 492 1HD1 LEU 68 1HD1 LEU 68 2.628 -2.098 13.494 493 2HD1 LEU 68 2HD1 LEU 68 2.376 -0.727 12.387 494 3HD1 LEU 68 3HD1 LEU 68 1.072 -1.236 13.487 495 1HD2 LEU 68 1HD2 LEU 68 2.354 -3.076 9.957 496 2HD2 LEU 68 2HD2 LEU 68 1.075 -1.849 9.781 497 3HD2 LEU 68 3HD2 LEU 68 2.647 -1.402 10.488 498 H GLY 69 HN GLY 69 2.495 -6.746 12.958 499 1HA GLY 69 1HA GLY 69 3.134 -6.554 15.721 500 2HA GLY 69 2HA GLY 69 2.707 -7.996 14.822 501 H ALA 70 HN ALA 70 5.447 -5.639 15.204 502 HA ALA 70 HA ALA 70 7.250 -7.953 15.170 503 1HB ALA 70 1HB ALA 70 7.798 -7.186 13.081 504 2HB ALA 70 2HB ALA 70 7.210 -5.539 13.413 505 3HB ALA 70 3HB ALA 70 8.799 -6.056 14.024 506 H GLU 71 HN GLU 71 7.816 -4.394 15.408 507 HA GLU 71 HA GLU 71 8.836 -3.212 16.923 508 1HB GLU 71 2HB GLU 71 6.697 -3.388 18.077 509 2HB GLU 71 3HB GLU 71 7.135 -4.938 18.770 510 1HG GLU 71 2HG GLU 71 7.773 -3.686 20.579 511 2HG GLU 71 3HG GLU 71 9.240 -3.425 19.656 512 H THR 72 HN THR 72 8.754 -5.657 19.462 513 HA THR 72 HA THR 72 11.594 -5.651 19.641 514 HB THR 72 HB THR 72 9.897 -5.826 21.548 515 HG1 THR 72 1HG THR 72 12.098 -7.567 20.893 516 1HG2 THR 72 1HG2 THR 72 8.308 -7.489 20.915 517 2HG2 THR 72 2HG2 THR 72 9.564 -8.555 20.242 518 3HG2 THR 72 3HG2 THR 72 9.399 -8.377 22.005 519 H THR 73 HN THR 73 9.556 -7.160 17.451 520 HA THR 73 HA THR 73 10.596 -9.760 17.364 521 HB THR 73 HB THR 73 9.268 -7.884 15.356 522 HG1 THR 73 1HG THR 73 8.526 -10.419 16.619 523 1HG2 THR 73 1HG2 THR 73 8.912 -9.848 13.914 524 2HG2 THR 73 2HG2 THR 73 10.664 -9.617 14.126 525 3HG2 THR 73 3HG2 THR 73 9.815 -10.882 15.047 526 H ARG 74 HN ARG 74 11.555 -6.803 15.496 527 HA ARG 74 HA ARG 74 13.578 -8.041 14.130 528 1HB ARG 74 2HB ARG 74 14.403 -5.776 13.661 529 2HB ARG 74 3HB ARG 74 12.651 -5.750 13.648 530 1HG ARG 74 2HG ARG 74 13.065 -5.194 16.284 531 2HG ARG 74 3HG ARG 74 14.557 -4.547 15.630 532 1HD ARG 74 2HD ARG 74 12.089 -3.810 14.112 533 2HD ARG 74 3HD ARG 74 12.188 -3.150 15.732 534 HE ARG 74 HE ARG 74 14.657 -2.844 14.163 535 1HH1 ARG 74 1HH1 ARG 74 14.214 0.604 13.861 536 2HH1 ARG 74 2HH1 ARG 74 15.314 -0.717 13.651 537 1HH2 ARG 74 1HH2 ARG 74 12.071 0.212 14.663 538 2HH2 ARG 74 2HH2 ARG 74 11.573 -1.400 15.051 539 H SER 75 HN SER 75 13.335 -7.106 17.489 540 HA SER 75 HA SER 75 16.221 -7.408 17.762 541 1HB SER 75 2HB SER 75 14.267 -5.598 18.987 542 2HB SER 75 3HB SER 75 15.177 -6.460 20.211 543 HG SER 75 HG SER 75 16.706 -5.439 18.060 544 H MET 76 HN MET 76 13.791 -9.408 17.606 545 HA MET 76 HA MET 76 13.312 -11.358 18.442 546 1HB MET 76 2HB MET 76 16.021 -11.129 18.906 547 2HB MET 76 3HB MET 76 15.460 -11.333 20.553 548 1HG MET 76 2HG MET 76 14.077 -13.252 18.877 549 2HG MET 76 3HG MET 76 15.792 -13.356 18.535 550 1HE MET 76 1HE MET 76 16.929 -15.644 21.049 551 2HE MET 76 2HE MET 76 16.860 -15.026 19.382 552 3HE MET 76 3HE MET 76 17.687 -14.085 20.646 553 H GLY 77 HN GLY 77 14.725 -9.729 21.377 554 1HA GLY 77 1HA GLY 77 12.071 -9.443 22.529 555 2HA GLY 77 2HA GLY 77 13.119 -10.601 23.321 556 H LEU 78 HN LEU 78 15.668 -9.348 22.963 557 HA LEU 78 HA LEU 78 15.263 -6.895 24.531 558 1HB LEU 78 2HB LEU 78 16.188 -8.223 26.104 559 2HB LEU 78 3HB LEU 78 16.983 -9.264 24.940 560 HG LEU 78 HG LEU 78 18.418 -7.795 26.505 561 1HD1 LEU 78 1HD1 LEU 78 18.991 -7.750 23.529 562 2HD1 LEU 78 2HD1 LEU 78 20.176 -7.622 24.851 563 3HD1 LEU 78 3HD1 LEU 78 19.270 -9.135 24.612 564 1HD2 LEU 78 1HD2 LEU 78 18.559 -5.628 24.592 565 2HD2 LEU 78 2HD2 LEU 78 16.930 -5.751 25.299 566 3HD2 LEU 78 3HD2 LEU 78 18.350 -5.580 26.359 567 H ALA 79 HN ALA 79 17.131 -8.615 21.995 568 HA ALA 79 HA ALA 79 17.494 -6.281 20.505 569 1HB ALA 79 1HB ALA 79 20.029 -7.202 21.907 570 2HB ALA 79 2HB ALA 79 19.821 -5.792 20.840 571 3HB ALA 79 3HB ALA 79 19.062 -5.810 22.450 572 H TYR 80 HN TYR 80 18.599 -9.554 21.461 573 HA TYR 80 HA TYR 80 20.034 -10.452 19.431 574 1HB TYR 80 2HB TYR 80 17.418 -11.731 20.440 575 2HB TYR 80 3HB TYR 80 18.806 -12.610 19.829 576 HD1 TYR 80 HD1 TYR 80 21.063 -11.317 21.217 577 HD2 TYR 80 HD2 TYR 80 17.178 -12.356 22.675 578 HE1 TYR 80 HE1 TYR 80 21.988 -11.488 23.579 579 HE2 TYR 80 HE2 TYR 80 18.116 -12.524 25.032 580 HH TYR 80 HH TYR 80 19.849 -12.324 26.294 Start of MODEL 8 1 H SER 1 HN SER 1 -5.254 -1.000 9.767 2 HA SER 1 HA SER 1 -6.016 -2.617 11.412 3 1HB SER 1 2HB SER 1 -5.685 -3.252 8.498 4 2HB SER 1 3HB SER 1 -6.225 -4.562 9.530 5 HG SER 1 HG SER 1 -7.504 -2.016 9.788 6 H HIS 2 HN HIS 2 -3.613 -4.191 9.168 7 HA HIS 2 HA HIS 2 -1.852 -4.972 11.146 8 1HB HIS 2 2HB HIS 2 -2.616 -7.547 10.853 9 2HB HIS 2 3HB HIS 2 -3.047 -6.538 12.220 10 HD1 HIS 2 HD1 HIS 2 -5.363 -7.386 12.758 11 HD2 HIS 2 HD2 HIS 2 -4.887 -6.460 8.695 12 HE1 HIS 2 HE1 HIS 2 -7.677 -7.591 11.701 13 H SER 3 HN SER 3 0.018 -5.719 10.166 14 HA SER 3 HA SER 3 1.404 -6.185 8.564 15 1HB SER 3 2HB SER 3 0.164 -8.351 8.529 16 2HB SER 3 3HB SER 3 -0.926 -7.711 7.315 17 HG SER 3 HG SER 3 1.855 -8.386 7.073 18 H VAL 4 HN VAL 4 1.913 -5.861 6.124 19 HA VAL 4 HA VAL 4 0.010 -4.198 4.728 20 HB VAL 4 HB VAL 4 2.643 -3.164 5.782 21 1HG1 VAL 4 1HG1 VAL 4 0.874 -1.959 3.627 22 2HG1 VAL 4 2HG1 VAL 4 2.252 -1.145 4.406 23 3HG1 VAL 4 3HG1 VAL 4 2.522 -2.597 3.414 24 1HG2 VAL 4 1HG2 VAL 4 1.264 -1.336 6.673 25 2HG2 VAL 4 2HG2 VAL 4 -0.194 -2.099 5.993 26 3HG2 VAL 4 3HG2 VAL 4 0.718 -2.916 7.286 27 H LYS 5 HN LYS 5 3.585 -4.877 4.719 28 HA LYS 5 HA LYS 5 4.895 -5.444 2.998 29 1HB LYS 5 2HB LYS 5 3.706 -7.573 4.004 30 2HB LYS 5 3HB LYS 5 2.966 -7.672 2.419 31 1HG LYS 5 2HG LYS 5 5.680 -7.141 1.863 32 2HG LYS 5 3HG LYS 5 5.740 -8.248 3.219 33 1HD LYS 5 2HD LYS 5 3.714 -9.162 1.347 34 2HD LYS 5 3HD LYS 5 5.201 -8.862 0.471 35 1HE LYS 5 2HE LYS 5 6.334 -10.185 2.478 36 2HE LYS 5 3HE LYS 5 4.712 -10.787 2.761 37 1HZ LYS 5 1HZ LYS 5 6.480 -11.710 0.916 38 2HZ LYS 5 2HZ LYS 5 4.900 -12.108 1.024 39 3HZ LYS 5 3HZ LYS 5 5.373 -10.907 0.025 40 H ILE 6 HN ILE 6 4.323 -6.769 0.511 41 HA ILE 6 HA ILE 6 2.986 -4.545 -0.850 42 HB ILE 6 HB ILE 6 4.833 -6.536 -2.131 43 1HG1 ILE 6 2HG1 ILE 6 6.036 -5.642 -0.197 44 2HG1 ILE 6 3HG1 ILE 6 6.716 -5.057 -1.703 45 1HG2 ILE 6 1HG2 ILE 6 5.271 -4.444 -3.559 46 2HG2 ILE 6 2HG2 ILE 6 3.716 -5.287 -3.758 47 3HG2 ILE 6 3HG2 ILE 6 3.798 -3.786 -2.804 48 1HD1 ILE 6 1HD1 ILE 6 5.634 -2.895 -1.455 49 2HD1 ILE 6 2HD1 ILE 6 4.673 -3.481 -0.075 50 3HD1 ILE 6 3HD1 ILE 6 6.435 -3.279 0.089 51 H TYR 7 HN TYR 7 0.932 -4.933 -1.460 52 HA TYR 7 HA TYR 7 0.342 -7.536 -2.626 53 1HB TYR 7 2HB TYR 7 -1.183 -6.110 -0.357 54 2HB TYR 7 3HB TYR 7 -1.742 -7.572 -1.144 55 HD1 TYR 7 HD1 TYR 7 -0.761 -6.720 1.860 56 HD2 TYR 7 HD2 TYR 7 0.739 -9.185 -1.298 57 HE1 TYR 7 HE1 TYR 7 0.513 -8.125 3.553 58 HE2 TYR 7 HE2 TYR 7 2.009 -10.582 0.406 59 HH TYR 7 HH TYR 7 2.919 -9.803 3.053 60 H ASP 8 HN ASP 8 -1.636 -7.525 -3.932 61 HA ASP 8 HA ASP 8 -1.993 -4.936 -5.094 62 1HB ASP 8 2HB ASP 8 -3.568 -6.314 -6.638 63 2HB ASP 8 3HB ASP 8 -1.852 -6.658 -6.710 64 H THR 9 HN THR 9 -2.967 -5.024 -2.422 65 HA THR 9 HA THR 9 -5.855 -5.434 -2.651 66 HB THR 9 HB THR 9 -4.639 -6.480 -0.745 67 HG1 THR 9 1HG THR 9 -6.795 -5.628 -0.389 68 1HG2 THR 9 1HG2 THR 9 -3.287 -3.918 -0.666 69 2HG2 THR 9 2HG2 THR 9 -4.192 -4.125 0.853 70 3HG2 THR 9 3HG2 THR 9 -2.993 -5.345 0.358 71 H CYS 10 HN CYS 10 -6.638 -3.723 -3.841 72 HA CYS 10 HA CYS 10 -6.687 -1.243 -2.396 73 1HB CYS 10 2HB CYS 10 -4.601 -1.169 -3.882 74 2HB CYS 10 3HB CYS 10 -5.691 -1.148 -5.253 75 H ILE 11 HN ILE 11 -8.696 -0.259 -2.739 76 HA ILE 11 HA ILE 11 -10.322 -1.439 -4.883 77 HB ILE 11 HB ILE 11 -12.263 -1.067 -3.438 78 1HG1 ILE 11 2HG1 ILE 11 -11.542 -0.775 -0.896 79 2HG1 ILE 11 3HG1 ILE 11 -10.194 0.090 -1.608 80 1HG2 ILE 11 1HG2 ILE 11 -10.248 -2.715 -1.913 81 2HG2 ILE 11 2HG2 ILE 11 -11.992 -2.995 -2.134 82 3HG2 ILE 11 3HG2 ILE 11 -10.875 -3.218 -3.502 83 1HD1 ILE 11 1HD1 ILE 11 -12.828 0.788 -2.793 84 2HD1 ILE 11 2HD1 ILE 11 -12.655 1.207 -1.072 85 3HD1 ILE 11 3HD1 ILE 11 -11.501 1.849 -2.265 86 H GLY 12 HN GLY 12 -9.274 1.471 -3.104 87 1HA GLY 12 1HA GLY 12 -9.021 3.361 -4.754 88 2HA GLY 12 2HA GLY 12 -10.728 3.129 -5.072 89 H CYS 13 HN CYS 13 -8.962 2.899 -1.919 90 HA CYS 13 HA CYS 13 -10.816 4.908 -0.903 91 1HB CYS 13 2HB CYS 13 -10.812 3.828 1.081 92 2HB CYS 13 3HB CYS 13 -10.265 2.466 0.123 93 H THR 14 HN THR 14 -9.510 6.079 1.155 94 HA THR 14 HA THR 14 -6.992 7.068 -0.016 95 HB THR 14 HB THR 14 -7.666 9.303 0.770 96 HG1 THR 14 1HG THR 14 -10.088 7.881 1.611 97 1HG2 THR 14 1HG2 THR 14 -8.872 9.447 -1.175 98 2HG2 THR 14 2HG2 THR 14 -9.393 7.750 -1.048 99 3HG2 THR 14 3HG2 THR 14 -10.298 9.025 -0.199 100 H GLN 15 HN GLN 15 -6.082 5.224 1.269 101 HA GLN 15 HA GLN 15 -5.180 6.307 3.724 102 1HB GLN 15 2HB GLN 15 -6.220 4.969 5.279 103 2HB GLN 15 3HB GLN 15 -7.500 4.987 4.082 104 1HG GLN 15 2HG GLN 15 -6.533 2.867 3.083 105 2HG GLN 15 3HG GLN 15 -5.357 2.832 4.382 106 1HE2 GLN 15 1HE2 GLN 15 -6.421 0.704 4.658 107 2HE2 GLN 15 2HE2 GLN 15 -7.794 0.589 5.707 108 H CYS 16 HN CYS 16 -3.254 5.218 4.486 109 HA CYS 16 HA CYS 16 -1.630 3.666 4.440 110 1HB CYS 16 2HB CYS 16 -1.787 1.680 3.362 111 2HB CYS 16 3HB CYS 16 -3.458 2.165 3.152 112 H VAL 17 HN VAL 17 -2.761 5.102 1.318 113 HA VAL 17 HA VAL 17 -0.044 5.496 0.434 114 HB VAL 17 HB VAL 17 -2.637 6.474 -0.770 115 1HG1 VAL 17 1HG1 VAL 17 0.199 6.544 -1.577 116 2HG1 VAL 17 2HG1 VAL 17 -0.909 5.935 -2.831 117 3HG1 VAL 17 3HG1 VAL 17 -1.175 7.542 -2.112 118 1HG2 VAL 17 1HG2 VAL 17 -1.328 3.776 -0.819 119 2HG2 VAL 17 2HG2 VAL 17 -3.053 4.208 -0.753 120 3HG2 VAL 17 3HG2 VAL 17 -2.154 4.362 -2.283 121 H ARG 18 HN ARG 18 -2.045 6.969 2.688 122 HA ARG 18 HA ARG 18 -0.720 9.512 2.186 123 1HB ARG 18 2HB ARG 18 -3.573 8.892 2.656 124 2HB ARG 18 3HB ARG 18 -2.971 10.097 3.777 125 1HG ARG 18 2HG ARG 18 -3.706 11.372 1.911 126 2HG ARG 18 3HG ARG 18 -1.967 11.303 1.712 127 1HD ARG 18 2HD ARG 18 -3.101 8.969 0.435 128 2HD ARG 18 3HD ARG 18 -4.004 10.371 -0.104 129 HE ARG 18 HE ARG 18 -1.075 10.712 -0.133 130 1HH1 ARG 18 1HH1 ARG 18 -0.988 10.774 -3.621 131 2HH1 ARG 18 2HH1 ARG 18 -0.092 11.058 -2.167 132 1HH2 ARG 18 1HH2 ARG 18 -3.189 10.046 -3.505 133 2HH2 ARG 18 2HH2 ARG 18 -3.934 9.784 -1.963 134 H ALA 19 HN ALA 19 -2.275 7.349 4.654 135 HA ALA 19 HA ALA 19 -1.604 8.510 6.966 136 1HB ALA 19 1HB ALA 19 -1.482 5.601 6.110 137 2HB ALA 19 2HB ALA 19 -1.253 6.105 7.802 138 3HB ALA 19 3HB ALA 19 -2.791 6.446 6.971 139 H CYS 20 HN CYS 20 0.616 6.544 4.884 140 HA CYS 20 HA CYS 20 2.801 6.403 6.405 141 1HB CYS 20 2HB CYS 20 2.703 5.492 4.149 142 2HB CYS 20 3HB CYS 20 2.696 7.100 3.453 143 HA PRO 21 HA PRO 21 3.705 10.614 7.243 144 1HB PRO 21 2HB PRO 21 5.908 10.226 8.814 145 2HB PRO 21 3HB PRO 21 4.268 10.144 9.427 146 1HG PRO 21 2HG PRO 21 6.150 7.935 8.863 147 2HG PRO 21 3HG PRO 21 4.703 7.919 9.851 148 1HD PRO 21 2HD PRO 21 4.984 6.849 7.206 149 2HD PRO 21 3HD PRO 21 3.510 6.938 8.148 150 H LEU 22 HN LEU 22 6.601 8.660 6.668 151 HA LEU 22 HA LEU 22 8.154 10.659 5.659 152 1HB LEU 22 2HB LEU 22 8.012 7.704 5.234 153 2HB LEU 22 3HB LEU 22 9.098 8.652 4.236 154 HG LEU 22 HG LEU 22 9.852 9.606 6.621 155 1HD1 LEU 22 1HD1 LEU 22 8.319 7.157 7.229 156 2HD1 LEU 22 2HD1 LEU 22 9.931 7.256 7.976 157 3HD1 LEU 22 3HD1 LEU 22 8.738 8.545 8.260 158 1HD2 LEU 22 1HD2 LEU 22 11.762 8.708 5.944 159 2HD2 LEU 22 2HD2 LEU 22 11.175 7.071 6.323 160 3HD2 LEU 22 3HD2 LEU 22 10.861 7.780 4.721 161 H ASP 23 HN ASP 23 7.294 8.281 3.182 162 HA ASP 23 HA ASP 23 5.425 9.693 1.796 163 1HB ASP 23 2HB ASP 23 7.685 11.214 1.736 164 2HB ASP 23 3HB ASP 23 8.025 10.172 0.369 165 H VAL 24 HN VAL 24 5.590 7.062 2.164 166 HA VAL 24 HA VAL 24 6.895 5.953 -0.223 167 HB VAL 24 HB VAL 24 7.522 5.270 2.218 168 1HG1 VAL 24 1HG1 VAL 24 5.578 3.081 2.049 169 2HG1 VAL 24 2HG1 VAL 24 6.079 4.066 3.445 170 3HG1 VAL 24 3HG1 VAL 24 4.824 4.668 2.335 171 1HG2 VAL 24 1HG2 VAL 24 7.297 2.721 1.047 172 2HG2 VAL 24 2HG2 VAL 24 7.437 3.863 -0.311 173 3HG2 VAL 24 3HG2 VAL 24 8.682 3.836 0.961 174 H LEU 25 HN LEU 25 5.523 3.526 -0.381 175 HA LEU 25 HA LEU 25 3.696 2.628 -1.230 176 1HB LEU 25 2HB LEU 25 2.359 4.596 0.626 177 2HB LEU 25 3HB LEU 25 1.479 3.393 -0.297 178 HG LEU 25 HG LEU 25 3.643 2.132 1.153 179 1HD1 LEU 25 1HD1 LEU 25 1.712 3.106 3.157 180 2HD1 LEU 25 2HD1 LEU 25 3.469 2.843 3.274 181 3HD1 LEU 25 3HD1 LEU 25 2.839 4.335 2.537 182 1HD2 LEU 25 1HD2 LEU 25 1.876 0.792 0.395 183 2HD2 LEU 25 2HD2 LEU 25 1.637 0.897 2.157 184 3HD2 LEU 25 3HD2 LEU 25 0.638 1.883 1.061 185 H GLU 26 HN GLU 26 4.275 3.305 -3.364 186 HA GLU 26 HA GLU 26 2.718 5.609 -4.248 187 1HB GLU 26 2HB GLU 26 5.243 4.475 -5.531 188 2HB GLU 26 3HB GLU 26 4.384 5.917 -6.036 189 1HG GLU 26 2HG GLU 26 5.041 6.005 -3.169 190 2HG GLU 26 3HG GLU 26 6.477 5.783 -4.148 191 H MET 27 HN MET 27 2.957 5.114 -7.063 192 HA MET 27 HA MET 27 1.005 3.041 -7.263 193 1HB MET 27 2HB MET 27 1.063 3.795 -9.732 194 2HB MET 27 3HB MET 27 0.646 5.050 -8.581 195 1HG MET 27 2HG MET 27 2.513 6.269 -9.077 196 2HG MET 27 3HG MET 27 3.560 4.869 -8.956 197 1HE MET 27 1HE MET 27 3.787 6.870 -12.465 198 2HE MET 27 2HE MET 27 2.334 7.464 -11.626 199 3HE MET 27 3HE MET 27 3.846 7.218 -10.720 200 H VAL 28 HN VAL 28 1.266 0.984 -8.114 201 HA VAL 28 HA VAL 28 3.916 0.388 -9.233 202 HB VAL 28 HB VAL 28 4.153 -1.479 -7.940 203 1HG1 VAL 28 1HG1 VAL 28 4.239 -0.649 -5.846 204 2HG1 VAL 28 2HG1 VAL 28 3.616 0.842 -6.595 205 3HG1 VAL 28 3HG1 VAL 28 2.495 -0.293 -5.805 206 1HG2 VAL 28 1HG2 VAL 28 1.224 -1.634 -8.144 207 2HG2 VAL 28 2HG2 VAL 28 2.442 -2.931 -8.063 208 3HG2 VAL 28 3HG2 VAL 28 1.862 -2.160 -6.567 209 HA PRO 29 HA PRO 29 1.785 -1.645 -12.403 210 1HB PRO 29 2HB PRO 29 3.141 -3.976 -12.844 211 2HB PRO 29 3HB PRO 29 3.707 -2.418 -13.409 212 1HG PRO 29 2HG PRO 29 4.694 -4.038 -11.142 213 2HG PRO 29 3HG PRO 29 5.490 -2.718 -11.977 214 1HD PRO 29 2HD PRO 29 4.218 -2.605 -9.408 215 2HD PRO 29 3HD PRO 29 4.912 -1.262 -10.295 216 H TRP 30 HN TRP 30 -0.288 -2.211 -12.293 217 HA TRP 30 HA TRP 30 -0.764 -4.826 -11.083 218 1HB TRP 30 2HB TRP 30 -1.165 -3.244 -9.294 219 2HB TRP 30 3HB TRP 30 -2.211 -2.284 -10.322 220 HD1 TRP 30 HD1 TRP 30 -4.720 -2.749 -9.806 221 HE1 TRP 30 HE1 TRP 30 -6.243 -4.736 -8.970 222 HE3 TRP 30 HE3 TRP 30 -0.969 -6.162 -9.428 223 HZ2 TRP 30 HZ2 TRP 30 -5.720 -7.450 -8.261 224 HZ3 TRP 30 HZ3 TRP 30 -1.561 -8.457 -8.657 225 HH2 TRP 30 HH2 TRP 30 -3.841 -9.123 -8.083 226 H ASP 31 HN ASP 31 -3.247 -5.374 -11.592 227 HA ASP 31 HA ASP 31 -3.951 -4.195 -14.144 228 1HB ASP 31 2HB ASP 31 -2.647 -6.541 -14.180 229 2HB ASP 31 3HB ASP 31 -4.226 -7.182 -13.771 230 H GLY 32 HN GLY 32 -5.370 -3.294 -12.144 231 1HA GLY 32 1HA GLY 32 -7.898 -4.719 -12.243 232 2HA GLY 32 2HA GLY 32 -7.156 -4.619 -10.658 233 H CYS 33 HN CYS 33 -5.826 -1.991 -11.179 234 HA CYS 33 HA CYS 33 -7.988 -0.364 -10.374 235 1HB CYS 33 2HB CYS 33 -5.165 -0.244 -10.259 236 2HB CYS 33 3HB CYS 33 -5.662 1.164 -11.175 237 HG CYS 33 HG CYS 33 -6.826 0.093 -8.261 238 H LYS 34 HN LYS 34 -8.389 1.837 -11.555 239 HA LYS 34 HA LYS 34 -9.312 1.281 -14.133 240 1HB LYS 34 2HB LYS 34 -9.724 3.231 -12.215 241 2HB LYS 34 3HB LYS 34 -8.923 4.120 -13.495 242 1HG LYS 34 2HG LYS 34 -11.282 2.258 -14.019 243 2HG LYS 34 3HG LYS 34 -11.486 3.960 -13.658 244 1HD LYS 34 2HD LYS 34 -9.504 3.921 -15.668 245 2HD LYS 34 3HD LYS 34 -10.637 2.680 -16.165 246 1HE LYS 34 2HE LYS 34 -12.519 4.383 -15.787 247 2HE LYS 34 3HE LYS 34 -11.280 5.600 -15.551 248 1HZ LYS 34 1HZ LYS 34 -10.465 4.547 -17.810 249 2HZ LYS 34 2HZ LYS 34 -12.062 4.247 -17.969 250 3HZ LYS 34 3HZ LYS 34 -11.537 5.778 -17.755 251 H ALA 35 HN ALA 35 -6.186 2.272 -12.895 252 HA ALA 35 HA ALA 35 -5.328 2.781 -15.662 253 1HB ALA 35 1HB ALA 35 -5.123 4.412 -13.361 254 2HB ALA 35 2HB ALA 35 -3.493 3.754 -13.634 255 3HB ALA 35 3HB ALA 35 -4.319 4.651 -14.930 256 H GLY 36 HN GLY 36 -5.684 0.201 -14.063 257 1HA GLY 36 1HA GLY 36 -4.527 -1.670 -13.549 258 2HA GLY 36 2HA GLY 36 -3.616 -1.277 -14.995 259 H GLN 37 HN GLN 37 -3.816 0.222 -11.683 260 HA GLN 37 HA GLN 37 -1.105 -0.550 -11.201 261 1HB GLN 37 2HB GLN 37 -0.346 1.805 -10.756 262 2HB GLN 37 3HB GLN 37 -0.676 1.487 -12.447 263 1HG GLN 37 2HG GLN 37 -2.044 3.300 -12.411 264 2HG GLN 37 3HG GLN 37 -3.165 2.331 -11.476 265 1HE2 GLN 37 1HE2 GLN 37 -3.692 2.967 -9.519 266 2HE2 GLN 37 2HE2 GLN 37 -2.879 4.156 -8.557 267 H ILE 38 HN ILE 38 -0.997 -1.151 -9.079 268 HA ILE 38 HA ILE 38 -3.112 -0.153 -7.327 269 HB ILE 38 HB ILE 38 -2.502 -2.660 -7.821 270 1HG1 ILE 38 2HG1 ILE 38 -2.934 -2.652 -5.009 271 2HG1 ILE 38 3HG1 ILE 38 -3.747 -1.241 -5.656 272 1HG2 ILE 38 1HG2 ILE 38 -0.682 -3.547 -6.883 273 2HG2 ILE 38 2HG2 ILE 38 -0.098 -1.873 -6.725 274 3HG2 ILE 38 3HG2 ILE 38 -0.923 -2.660 -5.359 275 1HD1 ILE 38 1HD1 ILE 38 -5.343 -3.014 -5.819 276 2HD1 ILE 38 2HD1 ILE 38 -4.719 -2.803 -7.473 277 3HD1 ILE 38 3HD1 ILE 38 -4.132 -4.147 -6.465 278 H ALA 39 HN ALA 39 -2.662 0.851 -5.332 279 HA ALA 39 HA ALA 39 -0.138 2.221 -5.297 280 1HB ALA 39 1HB ALA 39 -1.297 3.746 -4.096 281 2HB ALA 39 2HB ALA 39 -2.740 2.789 -4.509 282 3HB ALA 39 3HB ALA 39 -1.902 2.514 -2.963 283 H SER 40 HN SER 40 1.645 1.142 -4.595 284 HA SER 40 HA SER 40 1.503 0.003 -1.976 285 1HB SER 40 2HB SER 40 2.056 -1.672 -4.447 286 2HB SER 40 3HB SER 40 2.723 -2.124 -2.890 287 HG SER 40 HG SER 40 0.658 -2.419 -2.042 288 H SER 41 HN SER 41 3.922 -0.993 -1.529 289 HA SER 41 HA SER 41 5.629 1.213 -2.148 290 1HB SER 41 2HB SER 41 5.769 -1.188 -0.321 291 2HB SER 41 3HB SER 41 7.249 -0.330 -0.701 292 HG SER 41 HG SER 41 5.992 1.679 -0.036 293 HA PRO 42 HA PRO 42 7.464 -0.973 -5.479 294 1HB PRO 42 2HB PRO 42 9.239 0.954 -6.258 295 2HB PRO 42 3HB PRO 42 7.567 0.925 -6.779 296 1HG PRO 42 2HG PRO 42 8.855 2.682 -4.781 297 2HG PRO 42 3HG PRO 42 7.331 2.903 -5.616 298 1HD PRO 42 2HD PRO 42 7.691 2.048 -2.904 299 2HD PRO 42 3HD PRO 42 6.176 2.158 -3.775 300 H ARG 43 HN ARG 43 9.733 0.858 -3.474 301 HA ARG 43 HA ARG 43 11.152 -1.644 -3.156 302 1HB ARG 43 2HB ARG 43 12.542 1.005 -3.800 303 2HB ARG 43 3HB ARG 43 13.331 -0.542 -3.557 304 1HG ARG 43 2HG ARG 43 11.326 -0.958 -5.563 305 2HG ARG 43 3HG ARG 43 12.147 0.531 -5.983 306 1HD ARG 43 2HD ARG 43 13.639 -0.924 -6.980 307 2HD ARG 43 3HD ARG 43 14.330 -0.962 -5.371 308 HE ARG 43 HE ARG 43 12.463 -2.948 -5.189 309 1HH1 ARG 43 1HH1 ARG 43 13.858 -5.569 -7.025 310 2HH1 ARG 43 2HH1 ARG 43 12.727 -5.139 -5.785 311 1HH2 ARG 43 1HH2 ARG 43 15.103 -3.920 -8.081 312 2HH2 ARG 43 2HH2 ARG 43 14.903 -2.259 -7.629 313 H THR 44 HN THR 44 9.406 0.602 -1.674 314 HA THR 44 HA THR 44 9.399 1.687 0.289 315 HB THR 44 HB THR 44 10.952 -0.818 1.126 316 HG1 THR 44 1HG THR 44 8.517 -1.408 1.399 317 1HG2 THR 44 1HG2 THR 44 8.832 0.873 2.556 318 2HG2 THR 44 2HG2 THR 44 9.575 -0.615 3.188 319 3HG2 THR 44 3HG2 THR 44 10.563 0.848 2.970 320 H GLU 45 HN GLU 45 11.798 2.147 -1.550 321 HA GLU 45 HA GLU 45 14.050 2.456 0.006 322 1HB GLU 45 2HB GLU 45 14.786 4.049 -1.777 323 2HB GLU 45 3HB GLU 45 14.139 2.556 -2.428 324 1HG GLU 45 2HG GLU 45 12.085 3.585 -3.085 325 2HG GLU 45 3HG GLU 45 12.328 4.962 -2.028 326 H ASP 46 HN ASP 46 11.099 4.394 -0.270 327 HA ASP 46 HA ASP 46 12.365 6.511 1.252 328 1HB ASP 46 2HB ASP 46 9.925 6.263 -0.483 329 2HB ASP 46 3HB ASP 46 9.815 7.394 0.851 330 H CYS 47 HN CYS 47 12.199 4.325 2.842 331 HA CYS 47 HA CYS 47 10.278 5.077 4.785 332 1HB CYS 47 2HB CYS 47 8.619 3.836 3.755 333 2HB CYS 47 3HB CYS 47 9.736 2.657 3.098 334 H VAL 48 HN VAL 48 11.150 4.537 6.795 335 HA VAL 48 HA VAL 48 13.359 2.598 6.747 336 HB VAL 48 HB VAL 48 14.391 3.977 8.521 337 1HG1 VAL 48 1HG1 VAL 48 14.008 5.834 6.201 338 2HG1 VAL 48 2HG1 VAL 48 15.500 5.337 7.034 339 3HG1 VAL 48 3HG1 VAL 48 14.700 4.221 5.900 340 1HG2 VAL 48 1HG2 VAL 48 13.621 6.289 8.874 341 2HG2 VAL 48 2HG2 VAL 48 12.218 5.981 7.823 342 3HG2 VAL 48 3HG2 VAL 48 12.386 5.103 9.362 343 H GLY 49 HN GLY 49 10.798 1.650 7.097 344 1HA GLY 49 1HA GLY 49 9.376 0.664 8.551 345 2HA GLY 49 2HA GLY 49 10.854 0.173 9.355 346 H CYS 50 HN CYS 50 8.211 2.572 9.286 347 HA CYS 50 HA CYS 50 8.998 3.324 12.006 348 1HB CYS 50 2HB CYS 50 8.722 5.543 11.620 349 2HB CYS 50 3HB CYS 50 9.154 5.081 9.985 350 H LYS 51 HN LYS 51 7.220 3.523 13.506 351 HA LYS 51 HA LYS 51 5.071 1.799 12.989 352 1HB LYS 51 2HB LYS 51 6.124 2.343 15.221 353 2HB LYS 51 3HB LYS 51 5.281 3.879 15.181 354 1HG LYS 51 2HG LYS 51 3.168 2.278 14.643 355 2HG LYS 51 3HG LYS 51 4.159 1.101 15.485 356 1HD LYS 51 2HD LYS 51 4.038 3.743 16.838 357 2HD LYS 51 3HD LYS 51 2.482 2.947 16.709 358 1HE LYS 51 2HE LYS 51 4.265 0.886 17.479 359 2HE LYS 51 3HE LYS 51 4.772 2.275 18.420 360 1HZ LYS 51 1HZ LYS 51 3.109 1.499 19.703 361 2HZ LYS 51 2HZ LYS 51 2.204 2.475 18.757 362 3HZ LYS 51 3HZ LYS 51 2.246 0.868 18.468 363 H ARG 52 HN ARG 52 3.831 2.331 11.201 364 HA ARG 52 HA ARG 52 1.874 4.244 11.617 365 1HB ARG 52 2HB ARG 52 4.275 5.313 10.471 366 2HB ARG 52 3HB ARG 52 3.112 5.226 9.164 367 1HG ARG 52 2HG ARG 52 2.293 7.193 9.970 368 2HG ARG 52 3HG ARG 52 1.551 6.229 11.232 369 1HD ARG 52 2HD ARG 52 4.317 6.680 11.959 370 2HD ARG 52 3HD ARG 52 3.616 8.220 11.502 371 HE ARG 52 HE ARG 52 2.835 6.549 13.799 372 1HH1 ARG 52 1HH1 ARG 52 0.522 8.917 14.904 373 2HH1 ARG 52 2HH1 ARG 52 1.378 7.464 15.303 374 1HH2 ARG 52 1HH2 ARG 52 0.854 9.931 12.843 375 2HH2 ARG 52 2HH2 ARG 52 1.958 9.236 11.704 376 H CYS 53 HN CYS 53 1.221 4.803 8.836 377 HA CYS 53 HA CYS 53 -0.027 3.821 7.295 378 1HB CYS 53 2HB CYS 53 1.181 2.367 5.751 379 2HB CYS 53 3HB CYS 53 2.195 3.700 6.268 380 H GLU 54 HN GLU 54 -0.764 2.928 9.846 381 HA GLU 54 HA GLU 54 -0.785 0.067 9.811 382 1HB GLU 54 2HB GLU 54 -1.922 0.263 11.971 383 2HB GLU 54 3HB GLU 54 -0.541 1.340 11.936 384 1HG GLU 54 2HG GLU 54 -2.953 2.667 10.903 385 2HG GLU 54 3HG GLU 54 -3.215 2.043 12.519 386 H THR 55 HN THR 55 -1.954 0.904 7.464 387 HA THR 55 HA THR 55 -4.793 0.317 7.965 388 HB THR 55 HB THR 55 -5.385 1.973 6.265 389 HG1 THR 55 1HG THR 55 -3.442 3.133 5.317 390 1HG2 THR 55 1HG2 THR 55 -3.191 3.558 7.546 391 2HG2 THR 55 2HG2 THR 55 -4.934 3.908 7.458 392 3HG2 THR 55 3HG2 THR 55 -4.317 2.765 8.674 393 H ALA 56 HN ALA 56 -2.795 0.761 4.988 394 HA ALA 56 HA ALA 56 -2.207 -0.691 3.410 395 1HB ALA 56 1HB ALA 56 -3.258 -3.162 4.626 396 2HB ALA 56 2HB ALA 56 -1.613 -2.772 4.071 397 3HB ALA 56 3HB ALA 56 -2.150 -2.261 5.688 398 H CYS 57 HN CYS 57 -5.280 -1.848 4.980 399 HA CYS 57 HA CYS 57 -6.916 -0.921 2.960 400 1HB CYS 57 2HB CYS 57 -5.499 -3.194 2.071 401 2HB CYS 57 3HB CYS 57 -7.107 -3.771 2.457 402 HA PRO 58 HA PRO 58 -9.685 -2.285 6.033 403 1HB PRO 58 2HB PRO 58 -12.071 -2.410 4.706 404 2HB PRO 58 3HB PRO 58 -11.367 -0.908 5.272 405 1HG PRO 58 2HG PRO 58 -11.504 -1.968 2.517 406 2HG PRO 58 3HG PRO 58 -11.203 -0.326 3.047 407 1HD PRO 58 2HD PRO 58 -9.260 -2.200 2.080 408 2HD PRO 58 3HD PRO 58 -8.944 -0.600 2.719 409 H THR 59 HN THR 59 -10.584 -4.049 3.099 410 HA THR 59 HA THR 59 -10.089 -6.521 4.558 411 HB THR 59 HB THR 59 -12.363 -7.362 4.026 412 HG1 THR 59 1HG THR 59 -12.454 -5.859 2.095 413 1HG2 THR 59 1HG2 THR 59 -11.934 -5.707 6.089 414 2HG2 THR 59 2HG2 THR 59 -12.921 -4.591 5.115 415 3HG2 THR 59 3HG2 THR 59 -13.595 -6.155 5.634 416 H ASP 60 HN ASP 60 -11.465 -8.095 2.476 417 HA ASP 60 HA ASP 60 -11.243 -8.731 0.372 418 1HB ASP 60 2HB ASP 60 -10.585 -6.182 -0.066 419 2HB ASP 60 3HB ASP 60 -8.958 -6.823 -0.181 420 H PHE 61 HN PHE 61 -8.183 -7.585 1.965 421 HA PHE 61 HA PHE 61 -7.029 -10.224 1.391 422 1HB PHE 61 2HB PHE 61 -5.965 -7.361 1.437 423 2HB PHE 61 3HB PHE 61 -4.852 -8.678 1.752 424 HD1 PHE 61 1HD PHE 61 -7.627 -8.183 -0.709 425 HD2 PHE 61 2HD PHE 61 -3.530 -9.095 -0.080 426 HE1 PHE 61 1HE PHE 61 -7.322 -8.516 -3.178 427 HE2 PHE 61 2HE PHE 61 -3.226 -9.428 -2.550 428 HZ PHE 61 HZ PHE 61 -5.125 -9.135 -4.069 429 H LEU 62 HN LEU 62 -5.383 -7.800 3.355 430 HA LEU 62 HA LEU 62 -4.501 -8.186 5.405 431 1HB LEU 62 2HB LEU 62 -7.441 -7.682 5.673 432 2HB LEU 62 3HB LEU 62 -6.465 -7.918 7.109 433 HG LEU 62 HG LEU 62 -6.223 -5.730 5.039 434 1HD1 LEU 62 1HD1 LEU 62 -6.794 -5.719 8.014 435 2HD1 LEU 62 2HD1 LEU 62 -6.529 -4.265 7.021 436 3HD1 LEU 62 3HD1 LEU 62 -7.923 -5.325 6.695 437 1HD2 LEU 62 1HD2 LEU 62 -4.370 -5.067 6.927 438 2HD2 LEU 62 2HD2 LEU 62 -4.154 -6.831 6.824 439 3HD2 LEU 62 3HD2 LEU 62 -4.005 -5.828 5.360 440 H SER 63 HN SER 63 -3.941 -10.502 4.657 441 HA SER 63 HA SER 63 -4.371 -12.186 6.764 442 1HB SER 63 2HB SER 63 -6.709 -12.159 5.387 443 2HB SER 63 3HB SER 63 -5.876 -13.398 4.469 444 HG SER 63 HG SER 63 -5.545 -13.788 7.193 445 H ILE 64 HN ILE 64 -2.049 -11.635 5.761 446 HA ILE 64 HA ILE 64 -1.337 -13.981 4.177 447 HB ILE 64 HB ILE 64 -0.564 -11.136 3.525 448 1HG1 ILE 64 2HG1 ILE 64 -2.820 -12.000 2.759 449 2HG1 ILE 64 3HG1 ILE 64 -1.752 -11.395 1.509 450 1HG2 ILE 64 1HG2 ILE 64 0.775 -12.132 1.691 451 2HG2 ILE 64 2HG2 ILE 64 1.401 -12.519 3.312 452 3HG2 ILE 64 3HG2 ILE 64 0.489 -13.742 2.394 453 1HD1 ILE 64 1HD1 ILE 64 -1.738 -14.344 2.221 454 2HD1 ILE 64 2HD1 ILE 64 -2.969 -13.680 1.118 455 3HD1 ILE 64 3HD1 ILE 64 -1.242 -13.560 0.701 456 H ARG 65 HN ARG 65 0.817 -11.245 4.896 457 HA ARG 65 HA ARG 65 2.168 -13.018 6.749 458 1HB ARG 65 2HB ARG 65 3.033 -10.981 4.771 459 2HB ARG 65 3HB ARG 65 3.863 -10.832 6.308 460 1HG ARG 65 2HG ARG 65 5.105 -12.354 4.813 461 2HG ARG 65 3HG ARG 65 4.519 -13.228 6.215 462 1HD ARG 65 2HD ARG 65 2.461 -13.874 4.774 463 2HD ARG 65 3HD ARG 65 3.353 -13.256 3.398 464 HE ARG 65 HE ARG 65 5.177 -14.960 4.566 465 1HH1 ARG 65 1HH1 ARG 65 4.033 -18.094 3.542 466 2HH1 ARG 65 2HH1 ARG 65 5.394 -17.190 4.117 467 1HH2 ARG 65 1HH2 ARG 65 1.989 -17.040 3.229 468 2HH2 ARG 65 2HH2 ARG 65 1.825 -15.349 3.570 469 H VAL 66 HN VAL 66 3.428 -11.711 8.576 470 HA VAL 66 HA VAL 66 1.538 -9.734 9.649 471 HB VAL 66 HB VAL 66 2.326 -10.465 11.858 472 1HG1 VAL 66 1HG1 VAL 66 0.817 -12.108 9.958 473 2HG1 VAL 66 2HG1 VAL 66 1.502 -13.049 11.305 474 3HG1 VAL 66 3HG1 VAL 66 0.441 -11.660 11.639 475 1HG2 VAL 66 1HG2 VAL 66 4.400 -11.706 10.354 476 2HG2 VAL 66 2HG2 VAL 66 4.190 -11.656 12.121 477 3HG2 VAL 66 3HG2 VAL 66 3.490 -12.994 11.178 478 H TYR 67 HN TYR 67 2.437 -7.830 8.847 479 HA TYR 67 HA TYR 67 5.297 -7.440 9.137 480 1HB TYR 67 2HB TYR 67 3.026 -6.510 7.550 481 2HB TYR 67 3HB TYR 67 3.722 -5.111 8.342 482 HD1 TYR 67 HD1 TYR 67 5.198 -3.919 7.023 483 HD2 TYR 67 HD2 TYR 67 5.068 -8.178 6.626 484 HE1 TYR 67 HE1 TYR 67 7.008 -3.816 5.241 485 HE2 TYR 67 HE2 TYR 67 6.878 -8.060 4.846 486 HH TYR 67 HH TYR 67 8.880 -5.856 4.456 487 H LEU 68 HN LEU 68 2.487 -5.253 9.833 488 HA LEU 68 HA LEU 68 3.816 -3.735 11.700 489 1HB LEU 68 2HB LEU 68 1.086 -4.128 10.772 490 2HB LEU 68 3HB LEU 68 1.146 -3.709 12.473 491 HG LEU 68 HG LEU 68 0.898 -1.683 11.283 492 1HD1 LEU 68 1HD1 LEU 68 2.721 -0.396 12.032 493 2HD1 LEU 68 2HD1 LEU 68 2.638 -1.787 13.140 494 3HD1 LEU 68 3HD1 LEU 68 3.863 -1.750 11.849 495 1HD2 LEU 68 1HD2 LEU 68 1.394 -2.097 9.066 496 2HD2 LEU 68 2HD2 LEU 68 2.739 -1.041 9.557 497 3HD2 LEU 68 3HD2 LEU 68 2.987 -2.800 9.439 498 H GLY 69 HN GLY 69 4.610 -4.141 13.689 499 1HA GLY 69 1HA GLY 69 4.749 -4.994 15.780 500 2HA GLY 69 2HA GLY 69 3.185 -5.757 15.571 501 H ALA 70 HN ALA 70 6.407 -6.055 13.897 502 HA ALA 70 HA ALA 70 6.671 -8.759 14.834 503 1HB ALA 70 1HB ALA 70 6.863 -8.762 11.915 504 2HB ALA 70 2HB ALA 70 5.987 -9.871 12.998 505 3HB ALA 70 3HB ALA 70 5.224 -8.351 12.473 506 H GLU 71 HN GLU 71 7.717 -6.174 12.530 507 HA GLU 71 HA GLU 71 10.193 -6.939 11.960 508 1HB GLU 71 2HB GLU 71 9.091 -4.198 12.644 509 2HB GLU 71 3HB GLU 71 10.767 -4.385 12.167 510 1HG GLU 71 2HG GLU 71 8.640 -5.687 10.462 511 2HG GLU 71 3HG GLU 71 8.845 -3.951 10.350 512 H THR 72 HN THR 72 9.475 -4.820 14.838 513 HA THR 72 HA THR 72 11.738 -6.139 16.189 514 HB THR 72 HB THR 72 12.064 -3.826 17.259 515 HG1 THR 72 1HG THR 72 10.403 -3.115 14.956 516 1HG2 THR 72 1HG2 THR 72 12.349 -2.977 14.507 517 2HG2 THR 72 2HG2 THR 72 13.630 -3.486 15.633 518 3HG2 THR 72 3HG2 THR 72 12.813 -4.693 14.611 519 H THR 73 HN THR 73 9.031 -7.080 16.239 520 HA THR 73 HA THR 73 8.184 -6.237 18.925 521 HB THR 73 HB THR 73 6.819 -7.220 16.424 522 HG1 THR 73 1HG THR 73 5.276 -5.630 17.600 523 1HG2 THR 73 1HG2 THR 73 6.014 -7.905 19.272 524 2HG2 THR 73 2HG2 THR 73 4.761 -7.514 18.071 525 3HG2 THR 73 3HG2 THR 73 5.851 -8.895 17.802 526 H ARG 74 HN ARG 74 8.618 -9.197 16.876 527 HA ARG 74 HA ARG 74 9.039 -10.593 19.395 528 1HB ARG 74 2HB ARG 74 8.044 -11.636 16.696 529 2HB ARG 74 3HB ARG 74 8.429 -12.681 18.050 530 1HG ARG 74 2HG ARG 74 6.487 -12.181 19.145 531 2HG ARG 74 3HG ARG 74 6.645 -10.463 18.832 532 1HD ARG 74 2HD ARG 74 5.023 -10.636 17.253 533 2HD ARG 74 3HD ARG 74 6.092 -11.642 16.297 534 HE ARG 74 HE ARG 74 3.883 -12.561 18.007 535 1HH1 ARG 74 1HH1 ARG 74 4.410 -15.902 17.149 536 2HH1 ARG 74 2HH1 ARG 74 3.335 -14.776 17.908 537 1HH2 ARG 74 1HH2 ARG 74 6.409 -15.159 16.233 538 2HH2 ARG 74 2HH2 ARG 74 6.825 -13.479 16.308 539 H SER 75 HN SER 75 10.361 -9.602 16.309 540 HA SER 75 HA SER 75 12.519 -11.522 16.557 541 1HB SER 75 2HB SER 75 11.179 -10.894 14.345 542 2HB SER 75 3HB SER 75 12.281 -9.533 14.295 543 HG SER 75 HG SER 75 14.072 -11.001 14.285 544 H MET 76 HN MET 76 11.896 -8.894 18.174 545 HA MET 76 HA MET 76 13.441 -6.833 17.664 546 1HB MET 76 2HB MET 76 12.397 -8.155 20.024 547 2HB MET 76 3HB MET 76 14.015 -7.602 20.409 548 1HG MET 76 2HG MET 76 12.155 -5.694 18.980 549 2HG MET 76 3HG MET 76 11.894 -5.984 20.689 550 1HE MET 76 1HE MET 76 12.034 -3.710 20.927 551 2HE MET 76 2HE MET 76 13.245 -3.746 22.231 552 3HE MET 76 3HE MET 76 13.465 -2.654 20.842 553 H GLY 77 HN GLY 77 14.655 -9.954 19.048 554 1HA GLY 77 1HA GLY 77 17.115 -9.855 17.735 555 2HA GLY 77 2HA GLY 77 17.342 -9.140 19.317 556 H LEU 78 HN LEU 78 15.208 -11.855 18.183 557 HA LEU 78 HA LEU 78 16.630 -13.568 20.101 558 1HB LEU 78 2HB LEU 78 14.686 -13.421 21.217 559 2HB LEU 78 3HB LEU 78 13.763 -12.961 19.799 560 HG LEU 78 HG LEU 78 13.208 -15.192 20.911 561 1HD1 LEU 78 1HD1 LEU 78 13.745 -15.880 18.104 562 2HD1 LEU 78 2HD1 LEU 78 12.209 -15.790 18.999 563 3HD1 LEU 78 3HD1 LEU 78 12.940 -14.310 18.335 564 1HD2 LEU 78 1HD2 LEU 78 14.958 -16.858 19.475 565 2HD2 LEU 78 2HD2 LEU 78 15.986 -15.654 20.289 566 3HD2 LEU 78 3HD2 LEU 78 14.852 -16.644 21.239 567 H ALA 79 HN ALA 79 14.394 -13.627 17.233 568 HA ALA 79 HA ALA 79 15.566 -16.132 16.404 569 1HB ALA 79 1HB ALA 79 13.121 -14.636 15.972 570 2HB ALA 79 2HB ALA 79 13.844 -15.091 14.411 571 3HB ALA 79 3HB ALA 79 13.471 -16.345 15.619 572 H TYR 80 HN TYR 80 15.744 -12.654 15.667 573 HA TYR 80 HA TYR 80 16.704 -12.467 13.203 574 1HB TYR 80 2HB TYR 80 17.928 -10.539 14.093 575 2HB TYR 80 3HB TYR 80 16.562 -10.759 15.167 576 HD1 TYR 80 HD1 TYR 80 19.859 -9.916 15.199 577 HD2 TYR 80 HD2 TYR 80 17.224 -12.713 17.083 578 HE1 TYR 80 HE1 TYR 80 21.439 -10.079 17.184 579 HE2 TYR 80 HE2 TYR 80 18.814 -12.866 19.061 580 HH TYR 80 HH TYR 80 21.817 -10.960 19.113 Start of MODEL 9 1 H SER 1 HN SER 1 -3.142 -5.565 12.134 2 HA SER 1 HA SER 1 -3.553 -6.921 9.585 3 1HB SER 1 2HB SER 1 -5.124 -4.778 10.904 4 2HB SER 1 3HB SER 1 -4.710 -4.422 9.238 5 HG SER 1 HG SER 1 -6.135 -6.730 10.244 6 H HIS 2 HN HIS 2 -0.977 -6.478 10.313 7 HA HIS 2 HA HIS 2 -0.251 -3.871 9.230 8 1HB HIS 2 2HB HIS 2 2.091 -4.880 10.075 9 2HB HIS 2 3HB HIS 2 1.002 -3.964 11.097 10 HD1 HIS 2 HD1 HIS 2 0.541 -7.625 10.110 11 HD2 HIS 2 HD2 HIS 2 1.409 -5.288 13.483 12 HE1 HIS 2 HE1 HIS 2 0.506 -9.213 12.108 13 H SER 3 HN SER 3 2.249 -4.326 8.176 14 HA SER 3 HA SER 3 3.409 -5.313 6.582 15 1HB SER 3 2HB SER 3 2.994 -7.462 5.803 16 2HB SER 3 3HB SER 3 2.082 -7.493 7.299 17 HG SER 3 HG SER 3 0.666 -8.270 5.764 18 H VAL 4 HN VAL 4 3.619 -4.739 4.357 19 HA VAL 4 HA VAL 4 1.179 -3.953 2.974 20 HB VAL 4 HB VAL 4 3.514 -2.073 3.028 21 1HG1 VAL 4 1HG1 VAL 4 0.543 -1.591 2.633 22 2HG1 VAL 4 2HG1 VAL 4 1.866 -0.430 2.374 23 3HG1 VAL 4 3HG1 VAL 4 1.711 -1.852 1.316 24 1HG2 VAL 4 1HG2 VAL 4 2.942 -2.402 5.383 25 2HG2 VAL 4 2HG2 VAL 4 2.431 -0.789 4.832 26 3HG2 VAL 4 3HG2 VAL 4 1.227 -2.085 5.026 27 H LYS 5 HN LYS 5 3.488 -6.059 2.978 28 HA LYS 5 HA LYS 5 5.266 -5.771 1.004 29 1HB LYS 5 2HB LYS 5 4.130 -7.900 2.424 30 2HB LYS 5 3HB LYS 5 3.913 -8.335 0.740 31 1HG LYS 5 2HG LYS 5 6.585 -7.283 1.737 32 2HG LYS 5 3HG LYS 5 6.165 -8.975 1.922 33 1HD LYS 5 2HD LYS 5 5.876 -7.640 -0.787 34 2HD LYS 5 3HD LYS 5 7.454 -8.175 -0.246 35 1HE LYS 5 2HE LYS 5 6.323 -10.470 0.245 36 2HE LYS 5 3HE LYS 5 4.965 -9.874 -0.689 37 1HZ LYS 5 1HZ LYS 5 7.196 -11.019 -1.688 38 2HZ LYS 5 2HZ LYS 5 6.086 -10.187 -2.549 39 3HZ LYS 5 3HZ LYS 5 7.430 -9.434 -2.008 40 H ILE 6 HN ILE 6 5.364 -5.773 -1.249 41 HA ILE 6 HA ILE 6 3.424 -4.569 -2.666 42 HB ILE 6 HB ILE 6 5.501 -6.574 -3.526 43 1HG1 ILE 6 2HG1 ILE 6 6.160 -4.081 -4.512 44 2HG1 ILE 6 3HG1 ILE 6 5.446 -3.690 -2.960 45 1HG2 ILE 6 1HG2 ILE 6 3.365 -5.269 -5.110 46 2HG2 ILE 6 2HG2 ILE 6 5.007 -5.194 -5.792 47 3HG2 ILE 6 3HG2 ILE 6 4.275 -6.770 -5.408 48 1HD1 ILE 6 1HD1 ILE 6 7.088 -4.812 -1.753 49 2HD1 ILE 6 2HD1 ILE 6 7.383 -5.993 -3.051 50 3HD1 ILE 6 3HD1 ILE 6 8.037 -4.343 -3.183 51 H TYR 7 HN TYR 7 1.292 -5.049 -2.759 52 HA TYR 7 HA TYR 7 0.577 -7.686 -3.745 53 1HB TYR 7 2HB TYR 7 -0.193 -6.357 -1.089 54 2HB TYR 7 3HB TYR 7 -1.266 -7.535 -1.818 55 HD1 TYR 7 HD1 TYR 7 0.554 -7.446 0.857 56 HD2 TYR 7 HD2 TYR 7 0.740 -9.494 -2.895 57 HE1 TYR 7 HE1 TYR 7 1.875 -9.328 1.942 58 HE2 TYR 7 HE2 TYR 7 2.060 -11.370 -1.797 59 HH TYR 7 HH TYR 7 2.588 -12.273 0.187 60 H ASP 8 HN ASP 8 -1.770 -7.769 -4.396 61 HA ASP 8 HA ASP 8 -2.419 -5.235 -5.568 62 1HB ASP 8 2HB ASP 8 -3.908 -6.460 -6.971 63 2HB ASP 8 3HB ASP 8 -2.527 -7.516 -6.755 64 H THR 9 HN THR 9 -2.666 -5.174 -2.743 65 HA THR 9 HA THR 9 -5.473 -5.666 -2.131 66 HB THR 9 HB THR 9 -3.679 -6.394 -0.549 67 HG1 THR 9 1HG THR 9 -4.602 -4.903 1.239 68 1HG2 THR 9 1HG2 THR 9 -3.178 -3.561 0.287 69 2HG2 THR 9 2HG2 THR 9 -2.081 -4.962 0.332 70 3HG2 THR 9 3HG2 THR 9 -2.338 -4.081 -1.194 71 H CYS 10 HN CYS 10 -6.616 -4.150 -3.337 72 HA CYS 10 HA CYS 10 -6.653 -1.567 -2.140 73 1HB CYS 10 2HB CYS 10 -4.763 -1.465 -3.891 74 2HB CYS 10 3HB CYS 10 -6.027 -1.580 -5.099 75 H ILE 11 HN ILE 11 -8.478 -0.230 -3.307 76 HA ILE 11 HA ILE 11 -10.291 -1.825 -4.872 77 HB ILE 11 HB ILE 11 -12.159 -1.606 -3.315 78 1HG1 ILE 11 2HG1 ILE 11 -11.302 -1.216 -0.820 79 2HG1 ILE 11 3HG1 ILE 11 -10.105 -0.229 -1.635 80 1HG2 ILE 11 1HG2 ILE 11 -9.895 -3.054 -1.933 81 2HG2 ILE 11 2HG2 ILE 11 -11.626 -3.465 -1.964 82 3HG2 ILE 11 3HG2 ILE 11 -10.643 -3.642 -3.438 83 1HD1 ILE 11 1HD1 ILE 11 -11.620 1.425 -1.924 84 2HD1 ILE 11 2HD1 ILE 11 -12.690 0.316 -2.816 85 3HD1 ILE 11 3HD1 ILE 11 -12.819 0.445 -1.044 86 H GLY 12 HN GLY 12 -9.692 1.170 -2.942 87 1HA GLY 12 1HA GLY 12 -9.569 3.096 -4.646 88 2HA GLY 12 2HA GLY 12 -11.249 2.689 -4.927 89 H CYS 13 HN CYS 13 -9.352 2.656 -1.837 90 HA CYS 13 HA CYS 13 -11.369 4.482 -0.768 91 1HB CYS 13 2HB CYS 13 -11.279 3.393 1.219 92 2HB CYS 13 3HB CYS 13 -10.729 2.066 0.216 93 H THR 14 HN THR 14 -10.147 5.698 1.308 94 HA THR 14 HA THR 14 -7.696 6.862 0.154 95 HB THR 14 HB THR 14 -8.500 9.021 0.823 96 HG1 THR 14 1HG THR 14 -10.324 7.316 2.355 97 1HG2 THR 14 1HG2 THR 14 -10.179 7.452 -0.814 98 2HG2 THR 14 2HG2 THR 14 -11.279 8.121 0.415 99 3HG2 THR 14 3HG2 THR 14 -10.296 9.213 -0.589 100 H GLN 15 HN GLN 15 -6.403 5.303 1.284 101 HA GLN 15 HA GLN 15 -5.554 6.265 3.731 102 1HB GLN 15 2HB GLN 15 -6.500 4.935 5.353 103 2HB GLN 15 3HB GLN 15 -7.841 4.939 4.224 104 1HG GLN 15 2HG GLN 15 -6.981 2.806 3.213 105 2HG GLN 15 3HG GLN 15 -5.664 2.798 4.368 106 1HE2 GLN 15 1HE2 GLN 15 -6.806 0.640 4.654 107 2HE2 GLN 15 2HE2 GLN 15 -8.002 0.538 5.903 108 H CYS 16 HN CYS 16 -3.577 5.217 4.402 109 HA CYS 16 HA CYS 16 -1.942 3.678 4.300 110 1HB CYS 16 2HB CYS 16 -2.136 1.671 3.270 111 2HB CYS 16 3HB CYS 16 -3.819 2.139 3.131 112 H VAL 17 HN VAL 17 -3.260 5.138 1.278 113 HA VAL 17 HA VAL 17 -0.571 5.550 0.268 114 HB VAL 17 HB VAL 17 -3.239 6.334 -0.917 115 1HG1 VAL 17 1HG1 VAL 17 -1.548 5.842 -3.004 116 2HG1 VAL 17 2HG1 VAL 17 -1.853 7.451 -2.306 117 3HG1 VAL 17 3HG1 VAL 17 -0.424 6.517 -1.801 118 1HG2 VAL 17 1HG2 VAL 17 -2.673 4.203 -2.362 119 2HG2 VAL 17 2HG2 VAL 17 -1.760 3.721 -0.913 120 3HG2 VAL 17 3HG2 VAL 17 -3.507 4.044 -0.798 121 H ARG 18 HN ARG 18 -2.138 6.911 2.712 122 HA ARG 18 HA ARG 18 -1.379 9.593 1.868 123 1HB ARG 18 2HB ARG 18 -3.877 8.611 2.996 124 2HB ARG 18 3HB ARG 18 -3.160 9.753 4.114 125 1HG ARG 18 2HG ARG 18 -4.440 11.138 2.684 126 2HG ARG 18 3HG ARG 18 -2.817 11.302 2.045 127 1HD ARG 18 2HD ARG 18 -3.784 9.063 0.673 128 2HD ARG 18 3HD ARG 18 -5.209 10.073 0.802 129 HE ARG 18 HE ARG 18 -2.813 11.537 -0.049 130 1HH1 ARG 18 1HH1 ARG 18 -3.974 11.878 -3.321 131 2HH1 ARG 18 2HH1 ARG 18 -2.797 12.401 -2.164 132 1HH2 ARG 18 1HH2 ARG 18 -5.568 10.300 -2.723 133 2HH2 ARG 18 2HH2 ARG 18 -5.580 9.645 -1.120 134 H ALA 19 HN ALA 19 -1.798 7.322 4.669 135 HA ALA 19 HA ALA 19 -0.169 8.916 6.388 136 1HB ALA 19 1HB ALA 19 -1.191 6.056 6.609 137 2HB ALA 19 2HB ALA 19 -0.456 6.998 7.928 138 3HB ALA 19 3HB ALA 19 -2.008 7.511 7.225 139 H CYS 20 HN CYS 20 1.774 9.202 5.104 140 HA CYS 20 HA CYS 20 3.728 7.299 5.703 141 1HB CYS 20 2HB CYS 20 2.529 6.094 3.809 142 2HB CYS 20 3HB CYS 20 3.088 7.367 2.742 143 HA PRO 21 HA PRO 21 5.186 11.449 4.893 144 1HB PRO 21 2HB PRO 21 7.009 11.546 6.927 145 2HB PRO 21 3HB PRO 21 5.342 12.054 7.110 146 1HG PRO 21 2HG PRO 21 6.643 9.585 8.084 147 2HG PRO 21 3HG PRO 21 5.132 10.307 8.601 148 1HD PRO 21 2HD PRO 21 5.447 8.023 6.895 149 2HD PRO 21 3HD PRO 21 3.943 8.816 7.320 150 H LEU 22 HN LEU 22 7.098 8.584 5.467 151 HA LEU 22 HA LEU 22 9.420 9.621 4.251 152 1HB LEU 22 2HB LEU 22 8.427 6.936 5.096 153 2HB LEU 22 3HB LEU 22 9.809 7.017 4.021 154 HG LEU 22 HG LEU 22 10.615 8.787 5.896 155 1HD1 LEU 22 1HD1 LEU 22 8.640 8.552 7.286 156 2HD1 LEU 22 2HD1 LEU 22 8.892 6.792 7.390 157 3HD1 LEU 22 3HD1 LEU 22 10.069 7.904 8.130 158 1HD2 LEU 22 1HD2 LEU 22 11.141 6.015 6.723 159 2HD2 LEU 22 2HD2 LEU 22 11.415 6.332 4.993 160 3HD2 LEU 22 3HD2 LEU 22 12.261 7.305 6.221 161 H ASP 23 HN ASP 23 6.347 8.728 3.006 162 HA ASP 23 HA ASP 23 5.559 8.585 0.992 163 1HB ASP 23 2HB ASP 23 8.061 10.076 0.609 164 2HB ASP 23 3HB ASP 23 7.672 9.134 -0.816 165 H VAL 24 HN VAL 24 5.502 6.200 1.272 166 HA VAL 24 HA VAL 24 7.547 4.846 -0.348 167 HB VAL 24 HB VAL 24 6.197 4.004 2.216 168 1HG1 VAL 24 1HG1 VAL 24 6.118 2.117 0.650 169 2HG1 VAL 24 2HG1 VAL 24 7.864 2.288 0.344 170 3HG1 VAL 24 3HG1 VAL 24 7.286 1.815 1.959 171 1HG2 VAL 24 1HG2 VAL 24 8.708 3.533 2.744 172 2HG2 VAL 24 2HG2 VAL 24 9.021 4.631 1.379 173 3HG2 VAL 24 3HG2 VAL 24 8.103 5.206 2.791 174 H LEU 25 HN LEU 25 4.193 4.476 1.017 175 HA LEU 25 HA LEU 25 3.326 2.640 -0.851 176 1HB LEU 25 2HB LEU 25 1.837 4.740 0.724 177 2HB LEU 25 3HB LEU 25 1.043 3.510 -0.239 178 HG LEU 25 HG LEU 25 2.713 1.981 1.309 179 1HD1 LEU 25 1HD1 LEU 25 1.898 4.397 2.932 180 2HD1 LEU 25 2HD1 LEU 25 2.322 2.828 3.658 181 3HD1 LEU 25 3HD1 LEU 25 3.527 3.720 2.697 182 1HD2 LEU 25 1HD2 LEU 25 -0.095 2.505 1.049 183 2HD2 LEU 25 2HD2 LEU 25 0.735 1.012 1.546 184 3HD2 LEU 25 3HD2 LEU 25 0.302 2.237 2.762 185 H GLU 26 HN GLU 26 3.872 2.991 -2.990 186 HA GLU 26 HA GLU 26 2.780 5.455 -4.111 187 1HB GLU 26 2HB GLU 26 5.155 3.821 -5.113 188 2HB GLU 26 3HB GLU 26 4.532 5.272 -5.873 189 1HG GLU 26 2HG GLU 26 5.116 5.588 -2.973 190 2HG GLU 26 3HG GLU 26 6.527 5.217 -3.944 191 H MET 27 HN MET 27 2.904 4.803 -6.841 192 HA MET 27 HA MET 27 0.822 2.805 -6.920 193 1HB MET 27 2HB MET 27 0.540 3.707 -9.287 194 2HB MET 27 3HB MET 27 0.378 4.941 -8.053 195 1HG MET 27 2HG MET 27 2.194 6.088 -8.823 196 2HG MET 27 3HG MET 27 3.183 4.642 -8.869 197 1HE MET 27 1HE MET 27 0.853 7.033 -10.645 198 2HE MET 27 2HE MET 27 2.560 7.332 -11.052 199 3HE MET 27 3HE MET 27 1.415 6.837 -12.323 200 H VAL 28 HN VAL 28 0.968 0.837 -8.019 201 HA VAL 28 HA VAL 28 3.538 0.322 -9.345 202 HB VAL 28 HB VAL 28 3.820 -1.659 -8.248 203 1HG1 VAL 28 1HG1 VAL 28 3.874 0.300 -6.654 204 2HG1 VAL 28 2HG1 VAL 28 2.243 -0.177 -6.125 205 3HG1 VAL 28 3HG1 VAL 28 3.614 -1.290 -5.896 206 1HG2 VAL 28 1HG2 VAL 28 2.151 -3.077 -7.349 207 2HG2 VAL 28 2HG2 VAL 28 0.945 -1.768 -7.307 208 3HG2 VAL 28 3HG2 VAL 28 1.471 -2.444 -8.867 209 HA PRO 29 HA PRO 29 1.200 -1.391 -12.559 210 1HB PRO 29 2HB PRO 29 2.473 -3.701 -13.274 211 2HB PRO 29 3HB PRO 29 3.046 -2.110 -13.731 212 1HG PRO 29 2HG PRO 29 4.111 -3.943 -11.671 213 2HG PRO 29 3HG PRO 29 4.894 -2.571 -12.430 214 1HD PRO 29 2HD PRO 29 3.762 -2.660 -9.795 215 2HD PRO 29 3HD PRO 29 4.441 -1.258 -10.598 216 H TRP 30 HN TRP 30 -0.874 -1.938 -12.416 217 HA TRP 30 HA TRP 30 -1.342 -4.614 -11.322 218 1HB TRP 30 2HB TRP 30 -1.731 -3.065 -9.495 219 2HB TRP 30 3HB TRP 30 -2.796 -2.096 -10.494 220 HD1 TRP 30 HD1 TRP 30 -5.288 -2.590 -9.926 221 HE1 TRP 30 HE1 TRP 30 -6.784 -4.611 -9.128 222 HE3 TRP 30 HE3 TRP 30 -1.513 -5.990 -9.740 223 HZ2 TRP 30 HZ2 TRP 30 -6.233 -7.346 -8.523 224 HZ3 TRP 30 HZ3 TRP 30 -2.077 -8.314 -9.036 225 HH2 TRP 30 HH2 TRP 30 -4.343 -9.012 -8.438 226 H ASP 31 HN ASP 31 -3.837 -5.134 -11.828 227 HA ASP 31 HA ASP 31 -4.519 -3.913 -14.370 228 1HB ASP 31 2HB ASP 31 -3.289 -6.305 -14.392 229 2HB ASP 31 3HB ASP 31 -4.896 -6.887 -14.006 230 H GLY 32 HN GLY 32 -5.885 -2.994 -12.316 231 1HA GLY 32 1HA GLY 32 -8.466 -4.328 -12.437 232 2HA GLY 32 2HA GLY 32 -7.719 -4.259 -10.854 233 H CYS 33 HN CYS 33 -6.315 -1.681 -11.303 234 HA CYS 33 HA CYS 33 -8.449 0.008 -10.541 235 1HB CYS 33 2HB CYS 33 -5.634 0.022 -10.310 236 2HB CYS 33 3HB CYS 33 -6.036 1.457 -11.231 237 HG CYS 33 HG CYS 33 -6.293 2.626 -9.152 238 H LYS 34 HN LYS 34 -8.734 2.238 -11.697 239 HA LYS 34 HA LYS 34 -9.558 1.748 -14.328 240 1HB LYS 34 2HB LYS 34 -9.966 3.700 -12.372 241 2HB LYS 34 3HB LYS 34 -9.180 4.567 -13.675 242 1HG LYS 34 2HG LYS 34 -11.002 2.948 -15.043 243 2HG LYS 34 3HG LYS 34 -11.881 3.356 -13.582 244 1HD LYS 34 2HD LYS 34 -11.830 5.677 -14.031 245 2HD LYS 34 3HD LYS 34 -10.425 5.553 -15.071 246 1HE LYS 34 2HE LYS 34 -11.787 5.435 -16.879 247 2HE LYS 34 3HE LYS 34 -12.442 3.925 -16.278 248 1HZ LYS 34 1HZ LYS 34 -14.006 5.870 -16.619 249 2HZ LYS 34 2HZ LYS 34 -14.157 5.022 -15.233 250 3HZ LYS 34 3HZ LYS 34 -13.407 6.472 -15.224 251 H ALA 35 HN ALA 35 -6.472 2.610 -12.927 252 HA ALA 35 HA ALA 35 -5.482 3.219 -15.628 253 1HB ALA 35 1HB ALA 35 -4.354 4.086 -12.936 254 2HB ALA 35 2HB ALA 35 -3.750 4.556 -14.543 255 3HB ALA 35 3HB ALA 35 -5.352 5.106 -14.000 256 H GLY 36 HN GLY 36 -5.981 0.595 -14.054 257 1HA GLY 36 1HA GLY 36 -4.896 -1.328 -13.579 258 2HA GLY 36 2HA GLY 36 -3.984 -0.953 -15.027 259 H GLN 37 HN GLN 37 -4.094 0.493 -11.686 260 HA GLN 37 HA GLN 37 -1.395 -0.372 -11.271 261 1HB GLN 37 2HB GLN 37 -0.630 1.982 -10.701 262 2HB GLN 37 3HB GLN 37 -0.892 1.686 -12.409 263 1HG GLN 37 2HG GLN 37 -2.314 3.450 -12.443 264 2HG GLN 37 3HG GLN 37 -3.416 2.529 -11.438 265 1HE2 GLN 37 1HE2 GLN 37 -3.831 3.175 -9.445 266 2HE2 GLN 37 2HE2 GLN 37 -3.012 4.428 -8.575 267 H ILE 38 HN ILE 38 -1.325 -1.119 -9.199 268 HA ILE 38 HA ILE 38 -3.357 -0.111 -7.360 269 HB ILE 38 HB ILE 38 -2.942 -2.602 -7.980 270 1HG1 ILE 38 2HG1 ILE 38 -3.145 -2.673 -5.119 271 2HG1 ILE 38 3HG1 ILE 38 -3.979 -1.245 -5.699 272 1HG2 ILE 38 1HG2 ILE 38 -1.405 -3.653 -6.227 273 2HG2 ILE 38 2HG2 ILE 38 -0.640 -2.872 -7.632 274 3HG2 ILE 38 3HG2 ILE 38 -0.684 -2.035 -6.062 275 1HD1 ILE 38 1HD1 ILE 38 -5.546 -2.467 -6.910 276 2HD1 ILE 38 2HD1 ILE 38 -4.423 -3.817 -7.202 277 3HD1 ILE 38 3HD1 ILE 38 -5.196 -3.631 -5.609 278 H ALA 39 HN ALA 39 -2.851 0.928 -5.442 279 HA ALA 39 HA ALA 39 -0.233 2.077 -5.336 280 1HB ALA 39 1HB ALA 39 -1.297 3.655 -4.119 281 2HB ALA 39 2HB ALA 39 -2.800 2.798 -4.537 282 3HB ALA 39 3HB ALA 39 -1.975 2.449 -2.999 283 H SER 40 HN SER 40 1.464 0.856 -4.655 284 HA SER 40 HA SER 40 1.064 -0.551 -2.149 285 1HB SER 40 2HB SER 40 2.032 -1.709 -4.759 286 2HB SER 40 3HB SER 40 2.751 -2.302 -3.276 287 HG SER 40 HG SER 40 0.674 -2.931 -2.515 288 H SER 41 HN SER 41 3.591 -1.521 -1.671 289 HA SER 41 HA SER 41 5.233 0.873 -1.970 290 1HB SER 41 2HB SER 41 5.133 -1.139 0.321 291 2HB SER 41 3HB SER 41 6.320 0.145 0.197 292 HG SER 41 HG SER 41 4.689 0.981 1.479 293 HA PRO 42 HA PRO 42 7.499 -2.381 -4.074 294 1HB PRO 42 2HB PRO 42 8.530 -0.818 -6.064 295 2HB PRO 42 3HB PRO 42 7.012 -1.679 -6.212 296 1HG PRO 42 2HG PRO 42 7.469 1.208 -5.774 297 2HG PRO 42 3HG PRO 42 6.021 0.399 -6.341 298 1HD PRO 42 2HD PRO 42 6.485 1.446 -3.711 299 2HD PRO 42 3HD PRO 42 5.086 0.537 -4.245 300 H ARG 43 HN ARG 43 8.937 0.854 -4.026 301 HA ARG 43 HA ARG 43 11.370 -0.420 -3.160 302 1HB ARG 43 2HB ARG 43 10.863 2.530 -3.794 303 2HB ARG 43 3HB ARG 43 12.429 1.762 -3.628 304 1HG ARG 43 2HG ARG 43 10.400 0.836 -5.703 305 2HG ARG 43 3HG ARG 43 11.537 2.126 -6.036 306 1HD ARG 43 2HD ARG 43 12.939 0.444 -6.709 307 2HD ARG 43 3HD ARG 43 13.234 0.214 -4.997 308 HE ARG 43 HE ARG 43 10.877 -1.221 -6.024 309 1HH1 ARG 43 1HH1 ARG 43 12.430 -4.324 -5.647 310 2HH1 ARG 43 2HH1 ARG 43 10.935 -3.504 -5.953 311 1HH2 ARG 43 1HH2 ARG 43 14.375 -3.102 -5.310 312 2HH2 ARG 43 2HH2 ARG 43 14.330 -1.371 -5.364 313 H THR 44 HN THR 44 10.549 -0.965 -0.970 314 HA THR 44 HA THR 44 9.919 1.295 0.751 315 HB THR 44 HB THR 44 10.028 -1.718 1.297 316 HG1 THR 44 1HG THR 44 8.011 -1.649 0.352 317 1HG2 THR 44 1HG2 THR 44 9.705 0.438 3.090 318 2HG2 THR 44 2HG2 THR 44 8.039 -0.050 2.695 319 3HG2 THR 44 3HG2 THR 44 9.179 -1.239 3.371 320 H GLU 45 HN GLU 45 12.607 1.110 -0.458 321 HA GLU 45 HA GLU 45 14.384 0.081 1.410 322 1HB GLU 45 2HB GLU 45 16.081 1.145 0.127 323 2HB GLU 45 3HB GLU 45 14.820 0.766 -1.029 324 1HG GLU 45 2HG GLU 45 13.964 3.074 -0.934 325 2HG GLU 45 3HG GLU 45 15.089 3.479 0.348 326 H ASP 46 HN ASP 46 12.418 2.975 1.371 327 HA ASP 46 HA ASP 46 13.976 3.977 3.624 328 1HB ASP 46 2HB ASP 46 12.597 5.312 1.332 329 2HB ASP 46 3HB ASP 46 12.371 6.093 2.885 330 H CYS 47 HN CYS 47 12.840 3.084 5.397 331 HA CYS 47 HA CYS 47 10.547 4.152 6.306 332 1HB CYS 47 2HB CYS 47 9.060 3.433 4.702 333 2HB CYS 47 3HB CYS 47 9.941 1.955 4.369 334 H VAL 48 HN VAL 48 10.861 3.696 8.457 335 HA VAL 48 HA VAL 48 11.742 0.975 9.121 336 HB VAL 48 HB VAL 48 13.667 2.369 9.275 337 1HG1 VAL 48 1HG1 VAL 48 11.870 4.284 10.781 338 2HG1 VAL 48 2HG1 VAL 48 13.647 4.378 10.848 339 3HG1 VAL 48 3HG1 VAL 48 12.803 4.575 9.293 340 1HG2 VAL 48 1HG2 VAL 48 12.498 1.080 11.542 341 2HG2 VAL 48 2HG2 VAL 48 14.220 1.296 11.148 342 3HG2 VAL 48 3HG2 VAL 48 13.367 2.526 12.111 343 H GLY 49 HN GLY 49 9.082 1.418 9.017 344 1HA GLY 49 1HA GLY 49 7.178 1.471 10.212 345 2HA GLY 49 2HA GLY 49 8.138 0.814 11.521 346 H CYS 50 HN CYS 50 7.040 3.865 9.963 347 HA CYS 50 HA CYS 50 7.886 5.349 12.307 348 1HB CYS 50 2HB CYS 50 7.679 7.288 11.047 349 2HB CYS 50 3HB CYS 50 8.203 6.121 9.849 350 H LYS 51 HN LYS 51 5.615 3.234 12.086 351 HA LYS 51 HA LYS 51 3.452 2.998 12.582 352 1HB LYS 51 2HB LYS 51 4.886 4.009 14.715 353 2HB LYS 51 3HB LYS 51 3.485 5.061 14.678 354 1HG LYS 51 2HG LYS 51 2.561 2.367 14.218 355 2HG LYS 51 3HG LYS 51 3.649 2.324 15.592 356 1HD LYS 51 2HD LYS 51 2.117 4.626 16.068 357 2HD LYS 51 3HD LYS 51 0.955 3.515 15.371 358 1HE LYS 51 2HE LYS 51 0.887 2.277 17.275 359 2HE LYS 51 3HE LYS 51 2.630 2.092 17.286 360 1HZ LYS 51 1HZ LYS 51 2.838 3.737 18.745 361 2HZ LYS 51 2HZ LYS 51 1.737 4.703 18.024 362 3HZ LYS 51 3HZ LYS 51 1.247 3.530 19.049 363 H ARG 52 HN ARG 52 3.002 4.026 10.379 364 HA ARG 52 HA ARG 52 1.340 6.353 10.890 365 1HB ARG 52 2HB ARG 52 3.539 6.017 8.891 366 2HB ARG 52 3HB ARG 52 2.067 6.721 8.249 367 1HG ARG 52 2HG ARG 52 3.323 7.758 10.822 368 2HG ARG 52 3HG ARG 52 3.853 8.335 9.254 369 1HD ARG 52 2HD ARG 52 2.149 9.842 9.362 370 2HD ARG 52 3HD ARG 52 1.060 8.501 9.064 371 HE ARG 52 HE ARG 52 1.642 8.490 11.844 372 1HH1 ARG 52 1HH1 ARG 52 -0.957 10.575 12.879 373 2HH1 ARG 52 2HH1 ARG 52 0.206 9.391 13.375 374 1HH2 ARG 52 1HH2 ARG 52 -1.058 11.245 10.659 375 2HH2 ARG 52 2HH2 ARG 52 0.032 10.562 9.499 376 H CYS 53 HN CYS 53 2.216 3.880 8.356 377 HA CYS 53 HA CYS 53 -0.191 3.907 7.034 378 1HB CYS 53 2HB CYS 53 0.509 1.424 6.503 379 2HB CYS 53 3HB CYS 53 1.429 2.772 5.865 380 H GLU 54 HN GLU 54 0.457 0.730 8.377 381 HA GLU 54 HA GLU 54 -0.533 -0.511 9.888 382 1HB GLU 54 2HB GLU 54 -0.607 1.649 11.312 383 2HB GLU 54 3HB GLU 54 -2.271 1.817 10.790 384 1HG GLU 54 2HG GLU 54 -2.908 -0.285 11.813 385 2HG GLU 54 3HG GLU 54 -1.237 -0.753 12.061 386 H THR 55 HN THR 55 -2.768 1.876 8.326 387 HA THR 55 HA THR 55 -5.112 0.598 8.298 388 HB THR 55 HB THR 55 -5.336 1.618 5.936 389 HG1 THR 55 1HG THR 55 -3.262 1.635 5.098 390 1HG2 THR 55 1HG2 THR 55 -4.811 3.974 6.668 391 2HG2 THR 55 2HG2 THR 55 -5.754 3.088 7.889 392 3HG2 THR 55 3HG2 THR 55 -4.003 3.317 8.111 393 H ALA 56 HN ALA 56 -2.574 -0.067 5.786 394 HA ALA 56 HA ALA 56 -2.404 -1.788 4.375 395 1HB ALA 56 1HB ALA 56 -2.999 -3.477 6.826 396 2HB ALA 56 2HB ALA 56 -1.892 -3.838 5.479 397 3HB ALA 56 3HB ALA 56 -1.488 -2.554 6.644 398 H CYS 57 HN CYS 57 -4.929 -0.650 4.131 399 HA CYS 57 HA CYS 57 -6.897 -1.058 3.250 400 1HB CYS 57 2HB CYS 57 -5.369 -3.216 2.349 401 2HB CYS 57 3HB CYS 57 -6.825 -3.966 2.974 402 HA PRO 58 HA PRO 58 -9.246 -2.328 6.694 403 1HB PRO 58 2HB PRO 58 -11.775 -2.305 5.658 404 2HB PRO 58 3HB PRO 58 -10.941 -0.856 6.182 405 1HG PRO 58 2HG PRO 58 -11.450 -1.810 3.430 406 2HG PRO 58 3HG PRO 58 -11.013 -0.202 3.971 407 1HD PRO 58 2HD PRO 58 -9.286 -2.123 2.723 408 2HD PRO 58 3HD PRO 58 -8.823 -0.560 3.368 409 H THR 59 HN THR 59 -7.867 -4.433 5.768 410 HA THR 59 HA THR 59 -7.897 -6.656 5.905 411 HB THR 59 HB THR 59 -10.846 -6.433 6.686 412 HG1 THR 59 1HG THR 59 -9.129 -5.017 7.809 413 1HG2 THR 59 1HG2 THR 59 -10.445 -8.724 6.797 414 2HG2 THR 59 2HG2 THR 59 -8.681 -8.508 6.902 415 3HG2 THR 59 3HG2 THR 59 -9.693 -8.268 8.346 416 H ASP 60 HN ASP 60 -9.564 -4.798 3.708 417 HA ASP 60 HA ASP 60 -11.180 -6.331 2.291 418 1HB ASP 60 2HB ASP 60 -9.359 -4.135 1.745 419 2HB ASP 60 3HB ASP 60 -9.341 -5.228 0.375 420 H PHE 61 HN PHE 61 -7.662 -6.702 2.711 421 HA PHE 61 HA PHE 61 -7.815 -9.235 1.281 422 1HB PHE 61 2HB PHE 61 -6.179 -6.763 0.691 423 2HB PHE 61 3HB PHE 61 -5.306 -8.279 0.595 424 HD1 PHE 61 1HD PHE 61 -5.293 -9.419 -1.415 425 HD2 PHE 61 2HD PHE 61 -8.477 -6.729 -0.621 426 HE1 PHE 61 1HE PHE 61 -6.178 -9.782 -3.735 427 HE2 PHE 61 2HE PHE 61 -9.363 -7.092 -2.941 428 HZ PHE 61 HZ PHE 61 -8.203 -8.614 -4.470 429 H LEU 62 HN LEU 62 -5.012 -7.316 2.512 430 HA LEU 62 HA LEU 62 -3.360 -7.997 3.858 431 1HB LEU 62 2HB LEU 62 -5.885 -7.992 5.440 432 2HB LEU 62 3HB LEU 62 -4.431 -8.583 6.217 433 HG LEU 62 HG LEU 62 -4.366 -5.929 4.814 434 1HD1 LEU 62 1HD1 LEU 62 -5.995 -5.106 6.087 435 2HD1 LEU 62 2HD1 LEU 62 -6.073 -6.581 7.080 436 3HD1 LEU 62 3HD1 LEU 62 -4.891 -5.308 7.469 437 1HD2 LEU 62 1HD2 LEU 62 -3.018 -6.077 7.356 438 2HD2 LEU 62 2HD2 LEU 62 -2.545 -7.451 6.328 439 3HD2 LEU 62 3HD2 LEU 62 -2.351 -5.785 5.732 440 H SER 63 HN SER 63 -2.565 -9.824 2.707 441 HA SER 63 HA SER 63 -3.209 -12.292 4.087 442 1HB SER 63 2HB SER 63 -3.319 -11.797 1.101 443 2HB SER 63 3HB SER 63 -2.912 -13.392 1.703 444 HG SER 63 HG SER 63 -4.943 -13.709 2.385 445 H ILE 64 HN ILE 64 -1.335 -13.254 4.798 446 HA ILE 64 HA ILE 64 0.795 -13.812 4.968 447 HB ILE 64 HB ILE 64 0.988 -12.971 2.074 448 1HG1 ILE 64 2HG1 ILE 64 1.040 -15.688 2.079 449 2HG1 ILE 64 3HG1 ILE 64 -0.030 -15.400 3.436 450 1HG2 ILE 64 1HG2 ILE 64 3.188 -13.189 2.365 451 2HG2 ILE 64 2HG2 ILE 64 2.992 -13.903 3.984 452 3HG2 ILE 64 3HG2 ILE 64 2.879 -14.935 2.537 453 1HD1 ILE 64 1HD1 ILE 64 -1.717 -14.963 1.995 454 2HD1 ILE 64 2HD1 ILE 64 -0.805 -13.566 1.373 455 3HD1 ILE 64 3HD1 ILE 64 -0.606 -15.165 0.619 456 H ARG 65 HN ARG 65 2.802 -12.863 5.606 457 HA ARG 65 HA ARG 65 4.201 -11.272 6.098 458 1HB ARG 65 2HB ARG 65 2.589 -9.266 4.453 459 2HB ARG 65 3HB ARG 65 4.272 -9.133 4.923 460 1HG ARG 65 2HG ARG 65 3.197 -11.359 3.129 461 2HG ARG 65 3HG ARG 65 3.887 -9.870 2.513 462 1HD ARG 65 2HD ARG 65 6.063 -10.377 3.370 463 2HD ARG 65 3HD ARG 65 5.446 -11.580 4.483 464 HE ARG 65 HE ARG 65 4.934 -12.197 1.655 465 1HH1 ARG 65 1HH1 ARG 65 7.248 -14.810 1.648 466 2HH1 ARG 65 2HH1 ARG 65 5.957 -14.047 0.783 467 1HH2 ARG 65 1HH2 ARG 65 7.941 -13.955 3.692 468 2HH2 ARG 65 2HH2 ARG 65 7.166 -12.553 4.352 469 H VAL 66 HN VAL 66 4.218 -10.311 8.120 470 HA VAL 66 HA VAL 66 1.909 -8.693 8.873 471 HB VAL 66 HB VAL 66 2.130 -9.901 11.163 472 1HG1 VAL 66 1HG1 VAL 66 0.164 -9.900 9.578 473 2HG1 VAL 66 2HG1 VAL 66 0.811 -11.407 8.885 474 3HG1 VAL 66 3HG1 VAL 66 0.316 -11.354 10.594 475 1HG2 VAL 66 1HG2 VAL 66 3.190 -12.049 9.295 476 2HG2 VAL 66 2HG2 VAL 66 4.100 -11.248 10.598 477 3HG2 VAL 66 3HG2 VAL 66 2.708 -12.285 10.992 478 H TYR 67 HN TYR 67 3.452 -6.949 8.443 479 HA TYR 67 HA TYR 67 5.149 -6.521 10.773 480 1HB TYR 67 2HB TYR 67 6.195 -5.732 8.053 481 2HB TYR 67 3HB TYR 67 7.096 -6.333 9.431 482 HD1 TYR 67 HD1 TYR 67 6.510 -8.913 10.034 483 HD2 TYR 67 HD2 TYR 67 6.087 -7.096 6.184 484 HE1 TYR 67 HE1 TYR 67 6.658 -11.199 8.932 485 HE2 TYR 67 HE2 TYR 67 6.235 -9.388 5.094 486 HH TYR 67 HH TYR 67 6.671 -12.304 7.084 487 H LEU 68 HN LEU 68 4.932 -4.467 11.542 488 HA LEU 68 HA LEU 68 3.034 -2.752 10.662 489 1HB LEU 68 2HB LEU 68 4.985 -2.815 12.644 490 2HB LEU 68 3HB LEU 68 5.332 -1.344 11.756 491 HG LEU 68 HG LEU 68 2.668 -2.066 13.009 492 1HD1 LEU 68 1HD1 LEU 68 4.431 -1.560 14.653 493 2HD1 LEU 68 2HD1 LEU 68 4.709 0.007 13.857 494 3HD1 LEU 68 3HD1 LEU 68 3.144 -0.330 14.635 495 1HD2 LEU 68 1HD2 LEU 68 1.715 -0.479 11.790 496 2HD2 LEU 68 2HD2 LEU 68 2.917 0.710 12.347 497 3HD2 LEU 68 3HD2 LEU 68 3.240 -0.269 10.895 498 H GLY 69 HN GLY 69 6.241 -3.327 9.308 499 1HA GLY 69 1HA GLY 69 5.946 -2.475 6.839 500 2HA GLY 69 2HA GLY 69 6.084 -0.926 7.645 501 H ALA 70 HN ALA 70 7.849 -2.463 9.780 502 HA ALA 70 HA ALA 70 10.165 -3.266 8.380 503 1HB ALA 70 1HB ALA 70 9.967 -0.402 9.338 504 2HB ALA 70 2HB ALA 70 11.535 -1.242 9.269 505 3HB ALA 70 3HB ALA 70 10.574 -1.024 7.785 506 H GLU 71 HN GLU 71 9.435 -1.336 11.379 507 HA GLU 71 HA GLU 71 9.804 -1.745 13.481 508 1HB GLU 71 2HB GLU 71 9.447 -4.715 12.955 509 2HB GLU 71 3HB GLU 71 9.018 -3.816 14.396 510 1HG GLU 71 2HG GLU 71 6.948 -3.443 13.559 511 2HG GLU 71 3HG GLU 71 7.642 -2.566 12.211 512 H THR 72 HN THR 72 11.313 -2.747 15.141 513 HA THR 72 HA THR 72 13.658 -4.008 13.926 514 HB THR 72 HB THR 72 15.057 -2.311 15.269 515 HG1 THR 72 1HG THR 72 13.146 -1.646 16.559 516 1HG2 THR 72 1HG2 THR 72 13.414 -1.701 12.835 517 2HG2 THR 72 2HG2 THR 72 14.089 -0.289 13.686 518 3HG2 THR 72 3HG2 THR 72 15.173 -1.562 13.074 519 H THR 73 HN THR 73 11.681 -5.367 15.310 520 HA THR 73 HA THR 73 12.990 -5.787 17.919 521 HB THR 73 HB THR 73 10.075 -5.884 17.024 522 HG1 THR 73 1HG THR 73 10.045 -4.225 18.574 523 1HG2 THR 73 1HG2 THR 73 9.724 -6.569 19.510 524 2HG2 THR 73 2HG2 THR 73 10.217 -7.864 18.393 525 3HG2 THR 73 3HG2 THR 73 11.417 -7.115 19.474 526 H ARG 74 HN ARG 74 11.214 -7.393 15.205 527 HA ARG 74 HA ARG 74 12.671 -9.793 15.965 528 1HB ARG 74 2HB ARG 74 10.877 -11.068 14.818 529 2HB ARG 74 3HB ARG 74 10.193 -10.026 16.051 530 1HG ARG 74 2HG ARG 74 10.447 -8.918 13.256 531 2HG ARG 74 3HG ARG 74 9.195 -10.108 13.553 532 1HD ARG 74 2HD ARG 74 9.317 -8.019 15.653 533 2HD ARG 74 3HD ARG 74 8.983 -7.368 14.061 534 HE ARG 74 HE ARG 74 7.290 -9.566 14.236 535 1HH1 ARG 74 1HH1 ARG 74 4.653 -8.229 16.089 536 2HH1 ARG 74 2HH1 ARG 74 5.136 -9.483 14.998 537 1HH2 ARG 74 1HH2 ARG 74 6.191 -6.634 16.780 538 2HH2 ARG 74 2HH2 ARG 74 7.823 -6.697 16.203 539 H SER 75 HN SER 75 12.154 -7.324 13.548 540 HA SER 75 HA SER 75 13.574 -8.952 11.594 541 1HB SER 75 2HB SER 75 11.254 -7.340 11.352 542 2HB SER 75 3HB SER 75 12.522 -6.429 10.556 543 HG SER 75 HG SER 75 11.291 -8.068 9.228 544 H MET 76 HN MET 76 14.592 -7.329 14.016 545 HA MET 76 HA MET 76 15.706 -4.976 13.311 546 1HB MET 76 2HB MET 76 16.023 -6.996 15.355 547 2HB MET 76 3HB MET 76 17.635 -6.542 14.839 548 1HG MET 76 2HG MET 76 15.632 -4.340 15.373 549 2HG MET 76 3HG MET 76 16.350 -5.160 16.745 550 1HE MET 76 1HE MET 76 18.344 -1.806 16.465 551 2HE MET 76 2HE MET 76 16.627 -2.276 16.505 552 3HE MET 76 3HE MET 76 17.773 -2.993 17.663 553 H GLY 77 HN GLY 77 17.106 -8.287 12.824 554 1HA GLY 77 1HA GLY 77 18.218 -8.724 10.735 555 2HA GLY 77 2HA GLY 77 18.889 -7.106 10.783 556 H LEU 78 HN LEU 78 18.608 -9.172 13.691 557 HA LEU 78 HA LEU 78 21.525 -9.150 13.846 558 1HB LEU 78 2HB LEU 78 19.702 -9.979 16.071 559 2HB LEU 78 3HB LEU 78 21.319 -9.308 16.145 560 HG LEU 78 HG LEU 78 18.690 -7.922 15.813 561 1HD1 LEU 78 1HD1 LEU 78 20.747 -8.094 17.785 562 2HD1 LEU 78 2HD1 LEU 78 20.640 -6.408 17.225 563 3HD1 LEU 78 3HD1 LEU 78 19.193 -7.228 17.856 564 1HD2 LEU 78 1HD2 LEU 78 20.405 -5.884 15.259 565 2HD2 LEU 78 2HD2 LEU 78 21.146 -7.216 14.341 566 3HD2 LEU 78 3HD2 LEU 78 19.450 -6.767 14.044 567 H ALA 79 HN ALA 79 18.676 -11.359 14.255 568 HA ALA 79 HA ALA 79 20.414 -13.520 13.317 569 1HB ALA 79 1HB ALA 79 18.470 -13.765 15.643 570 2HB ALA 79 2HB ALA 79 19.609 -14.996 15.049 571 3HB ALA 79 3HB ALA 79 20.222 -13.523 15.838 572 H TYR 80 HN TYR 80 17.017 -12.601 14.236 573 HA TYR 80 HA TYR 80 15.560 -14.379 12.909 574 1HB TYR 80 2HB TYR 80 15.285 -11.322 12.646 575 2HB TYR 80 3HB TYR 80 13.961 -12.469 12.611 576 HD1 TYR 80 HD1 TYR 80 16.174 -10.508 14.717 577 HD2 TYR 80 HD2 TYR 80 13.313 -13.690 14.712 578 HE1 TYR 80 HE1 TYR 80 15.881 -10.259 17.231 579 HE2 TYR 80 HE2 TYR 80 13.030 -13.429 17.225 580 HH TYR 80 HH TYR 80 15.167 -11.468 19.085 Start of MODEL 10 1 H SER 1 HN SER 1 -5.355 -3.086 8.366 2 HA SER 1 HA SER 1 -4.976 -2.341 10.405 3 1HB SER 1 2HB SER 1 -4.342 -5.222 11.184 4 2HB SER 1 3HB SER 1 -4.372 -3.879 12.309 5 HG SER 1 HG SER 1 -6.436 -4.477 12.513 6 H HIS 2 HN HIS 2 -2.650 -5.082 9.781 7 HA HIS 2 HA HIS 2 -0.529 -3.068 9.741 8 1HB HIS 2 2HB HIS 2 0.909 -4.916 10.821 9 2HB HIS 2 3HB HIS 2 -0.161 -3.970 11.837 10 HD1 HIS 2 HD1 HIS 2 -2.514 -5.183 12.496 11 HD2 HIS 2 HD2 HIS 2 0.493 -7.642 10.912 12 HE1 HIS 2 HE1 HIS 2 -3.163 -7.578 13.088 13 H SER 3 HN SER 3 1.620 -4.667 9.047 14 HA SER 3 HA SER 3 2.589 -5.603 7.348 15 1HB SER 3 2HB SER 3 0.743 -7.259 6.038 16 2HB SER 3 3HB SER 3 1.844 -7.737 7.315 17 HG SER 3 HG SER 3 -0.913 -7.441 7.385 18 H VAL 4 HN VAL 4 3.125 -4.584 5.447 19 HA VAL 4 HA VAL 4 0.932 -3.788 3.683 20 HB VAL 4 HB VAL 4 3.168 -2.025 4.696 21 1HG1 VAL 4 1HG1 VAL 4 1.365 -1.775 2.308 22 2HG1 VAL 4 2HG1 VAL 4 1.839 -0.311 3.202 23 3HG1 VAL 4 3HG1 VAL 4 3.087 -1.360 2.486 24 1HG2 VAL 4 1HG2 VAL 4 1.263 -2.189 6.221 25 2HG2 VAL 4 2HG2 VAL 4 1.331 -0.576 5.471 26 3HG2 VAL 4 3HG2 VAL 4 0.147 -1.774 4.897 27 H LYS 5 HN LYS 5 2.065 -6.061 3.067 28 HA LYS 5 HA LYS 5 4.585 -5.905 1.829 29 1HB LYS 5 2HB LYS 5 2.501 -7.877 2.280 30 2HB LYS 5 3HB LYS 5 3.144 -8.014 0.656 31 1HG LYS 5 2HG LYS 5 5.483 -7.683 2.028 32 2HG LYS 5 3HG LYS 5 4.521 -8.429 3.287 33 1HD LYS 5 2HD LYS 5 5.535 -10.262 2.147 34 2HD LYS 5 3HD LYS 5 3.886 -10.237 1.557 35 1HE LYS 5 2HE LYS 5 4.501 -9.539 -0.571 36 2HE LYS 5 3HE LYS 5 5.845 -8.577 0.011 37 1HZ LYS 5 1HZ LYS 5 7.207 -10.288 -0.221 38 2HZ LYS 5 2HZ LYS 5 6.194 -11.357 0.484 39 3HZ LYS 5 3HZ LYS 5 6.039 -11.011 -1.104 40 H ILE 6 HN ILE 6 4.615 -6.704 -0.686 41 HA ILE 6 HA ILE 6 3.458 -4.453 -2.069 42 HB ILE 6 HB ILE 6 5.435 -6.602 -2.785 43 1HG1 ILE 6 2HG1 ILE 6 6.775 -4.399 -3.229 44 2HG1 ILE 6 3HG1 ILE 6 5.555 -3.651 -2.218 45 1HG2 ILE 6 1HG2 ILE 6 5.594 -4.979 -4.916 46 2HG2 ILE 6 2HG2 ILE 6 4.586 -6.447 -4.878 47 3HG2 ILE 6 3HG2 ILE 6 3.848 -4.853 -4.587 48 1HD1 ILE 6 1HD1 ILE 6 6.447 -4.533 -0.326 49 2HD1 ILE 6 2HD1 ILE 6 6.512 -6.163 -1.038 50 3HD1 ILE 6 3HD1 ILE 6 7.840 -5.014 -1.324 51 H TYR 7 HN TYR 7 1.323 -5.784 -1.175 52 HA TYR 7 HA TYR 7 0.530 -7.703 -3.221 53 1HB TYR 7 2HB TYR 7 -0.611 -6.596 -0.585 54 2HB TYR 7 3HB TYR 7 -1.510 -7.733 -1.572 55 HD1 TYR 7 HD1 TYR 7 0.679 -9.585 -2.426 56 HD2 TYR 7 HD2 TYR 7 -0.144 -7.802 1.375 57 HE1 TYR 7 HE1 TYR 7 1.849 -11.517 -1.257 58 HE2 TYR 7 HE2 TYR 7 1.028 -9.739 2.530 59 HH TYR 7 HH TYR 7 2.375 -11.464 2.226 60 H ASP 8 HN ASP 8 -1.615 -7.485 -4.273 61 HA ASP 8 HA ASP 8 -1.942 -4.768 -5.112 62 1HB ASP 8 2HB ASP 8 -3.264 -5.664 -6.889 63 2HB ASP 8 3HB ASP 8 -1.978 -6.829 -6.644 64 H THR 9 HN THR 9 -2.644 -5.189 -2.359 65 HA THR 9 HA THR 9 -5.489 -5.624 -2.187 66 HB THR 9 HB THR 9 -3.875 -6.372 -0.423 67 HG1 THR 9 1HG THR 9 -5.097 -5.022 1.296 68 1HG2 THR 9 1HG2 THR 9 -3.627 -3.505 0.493 69 2HG2 THR 9 2HG2 THR 9 -2.561 -4.889 0.832 70 3HG2 THR 9 3HG2 THR 9 -2.490 -4.078 -0.751 71 H CYS 10 HN CYS 10 -6.394 -4.051 -3.583 72 HA CYS 10 HA CYS 10 -6.608 -1.494 -2.262 73 1HB CYS 10 2HB CYS 10 -4.680 -1.503 -4.072 74 2HB CYS 10 3HB CYS 10 -6.013 -1.386 -5.205 75 H ILE 11 HN ILE 11 -8.769 -0.932 -2.299 76 HA ILE 11 HA ILE 11 -10.447 -2.387 -4.213 77 HB ILE 11 HB ILE 11 -12.256 -2.053 -2.655 78 1HG1 ILE 11 2HG1 ILE 11 -11.399 -1.167 -0.281 79 2HG1 ILE 11 3HG1 ILE 11 -10.302 -0.250 -1.295 80 1HG2 ILE 11 1HG2 ILE 11 -11.383 -4.054 -2.079 81 2HG2 ILE 11 2HG2 ILE 11 -9.742 -3.403 -1.851 82 3HG2 ILE 11 3HG2 ILE 11 -10.968 -3.188 -0.580 83 1HD1 ILE 11 1HD1 ILE 11 -12.521 0.276 -2.687 84 2HD1 ILE 11 2HD1 ILE 11 -13.308 -0.116 -1.140 85 3HD1 ILE 11 3HD1 ILE 11 -12.120 1.206 -1.223 86 H GLY 12 HN GLY 12 -9.187 0.734 -3.275 87 1HA GLY 12 1HA GLY 12 -9.356 2.386 -5.079 88 2HA GLY 12 2HA GLY 12 -11.067 2.019 -5.166 89 H CYS 13 HN CYS 13 -9.085 2.283 -2.165 90 HA CYS 13 HA CYS 13 -10.857 4.466 -1.369 91 1HB CYS 13 2HB CYS 13 -10.939 3.577 0.688 92 2HB CYS 13 3HB CYS 13 -10.289 2.124 -0.044 93 H THR 14 HN THR 14 -9.650 6.081 0.209 94 HA THR 14 HA THR 14 -7.006 6.641 -0.968 95 HB THR 14 HB THR 14 -8.802 8.261 -1.599 96 HG1 THR 14 1HG THR 14 -6.432 8.725 -0.744 97 1HG2 THR 14 1HG2 THR 14 -9.294 8.153 1.347 98 2HG2 THR 14 2HG2 THR 14 -9.228 9.792 0.656 99 3HG2 THR 14 3HG2 THR 14 -10.404 8.610 0.034 100 H GLN 15 HN GLN 15 -6.813 4.816 0.953 101 HA GLN 15 HA GLN 15 -5.895 6.436 3.190 102 1HB GLN 15 2HB GLN 15 -7.009 5.202 4.762 103 2HB GLN 15 3HB GLN 15 -8.098 4.862 3.432 104 1HG GLN 15 2HG GLN 15 -6.702 2.803 2.898 105 2HG GLN 15 3HG GLN 15 -5.762 3.120 4.342 106 1HE2 GLN 15 1HE2 GLN 15 -6.633 0.862 4.666 107 2HE2 GLN 15 2HE2 GLN 15 -8.111 0.693 5.551 108 H CYS 16 HN CYS 16 -3.985 5.604 4.284 109 HA CYS 16 HA CYS 16 -2.218 4.251 4.557 110 1HB CYS 16 2HB CYS 16 -2.050 2.165 3.677 111 2HB CYS 16 3HB CYS 16 -3.739 2.436 3.296 112 H VAL 17 HN VAL 17 -3.100 5.147 1.154 113 HA VAL 17 HA VAL 17 -0.455 5.585 0.314 114 HB VAL 17 HB VAL 17 -1.571 6.816 -1.542 115 1HG1 VAL 17 1HG1 VAL 17 -1.262 4.263 -1.361 116 2HG1 VAL 17 2HG1 VAL 17 -3.011 4.209 -1.036 117 3HG1 VAL 17 3HG1 VAL 17 -2.412 4.880 -2.571 118 1HG2 VAL 17 1HG2 VAL 17 -4.167 6.068 -0.162 119 2HG2 VAL 17 2HG2 VAL 17 -3.459 7.701 -0.132 120 3HG2 VAL 17 3HG2 VAL 17 -3.960 6.977 -1.678 121 H ARG 18 HN ARG 18 -2.519 7.296 2.484 122 HA ARG 18 HA ARG 18 -1.122 9.773 1.958 123 1HB ARG 18 2HB ARG 18 -3.760 9.056 2.963 124 2HB ARG 18 3HB ARG 18 -2.951 10.057 4.153 125 1HG ARG 18 2HG ARG 18 -3.961 11.671 2.774 126 2HG ARG 18 3HG ARG 18 -2.338 11.603 2.116 127 1HD ARG 18 2HD ARG 18 -4.026 9.567 0.858 128 2HD ARG 18 3HD ARG 18 -4.775 11.146 0.722 129 HE ARG 18 HE ARG 18 -1.892 10.908 0.008 130 1HH1 ARG 18 1HH1 ARG 18 -2.562 12.081 -3.209 131 2HH1 ARG 18 2HH1 ARG 18 -1.324 11.645 -2.079 132 1HH2 ARG 18 1HH2 ARG 18 -4.797 11.916 -2.603 133 2HH2 ARG 18 2HH2 ARG 18 -5.226 11.357 -1.021 134 H ALA 19 HN ALA 19 -2.169 7.816 4.856 135 HA ALA 19 HA ALA 19 -0.395 9.008 6.634 136 1HB ALA 19 1HB ALA 19 -1.485 7.664 8.078 137 2HB ALA 19 2HB ALA 19 -2.430 7.091 6.683 138 3HB ALA 19 3HB ALA 19 -0.982 6.196 7.204 139 H CYS 20 HN CYS 20 1.634 9.222 5.476 140 HA CYS 20 HA CYS 20 3.439 7.208 6.098 141 1HB CYS 20 2HB CYS 20 2.360 5.972 4.238 142 2HB CYS 20 3HB CYS 20 2.757 7.278 3.140 143 HA PRO 21 HA PRO 21 5.140 11.280 5.337 144 1HB PRO 21 2HB PRO 21 6.843 11.316 7.474 145 2HB PRO 21 3HB PRO 21 5.196 11.911 7.551 146 1HG PRO 21 2HG PRO 21 6.309 9.395 8.631 147 2HG PRO 21 3HG PRO 21 4.810 10.201 9.050 148 1HD PRO 21 2HD PRO 21 5.106 7.877 7.394 149 2HD PRO 21 3HD PRO 21 3.622 8.752 7.718 150 H LEU 22 HN LEU 22 6.627 8.212 5.698 151 HA LEU 22 HA LEU 22 9.141 9.168 4.668 152 1HB LEU 22 2HB LEU 22 8.040 6.544 5.595 153 2HB LEU 22 3HB LEU 22 9.489 6.571 4.611 154 HG LEU 22 HG LEU 22 9.477 8.403 6.948 155 1HD1 LEU 22 1HD1 LEU 22 8.417 6.010 7.512 156 2HD1 LEU 22 2HD1 LEU 22 10.142 5.582 7.610 157 3HD1 LEU 22 3HD1 LEU 22 9.489 6.886 8.632 158 1HD2 LEU 22 1HD2 LEU 22 11.579 6.438 6.025 159 2HD2 LEU 22 2HD2 LEU 22 11.386 8.064 5.329 160 3HD2 LEU 22 3HD2 LEU 22 11.786 7.876 7.053 161 H ASP 23 HN ASP 23 6.218 8.995 3.275 162 HA ASP 23 HA ASP 23 5.406 8.475 1.306 163 1HB ASP 23 2HB ASP 23 8.050 9.811 0.845 164 2HB ASP 23 3HB ASP 23 7.310 9.084 -0.567 165 H VAL 24 HN VAL 24 5.358 6.095 1.576 166 HA VAL 24 HA VAL 24 7.455 4.757 0.011 167 HB VAL 24 HB VAL 24 6.026 3.801 2.498 168 1HG1 VAL 24 1HG1 VAL 24 7.394 2.341 0.353 169 2HG1 VAL 24 2HG1 VAL 24 8.057 2.002 1.970 170 3HG1 VAL 24 3HG1 VAL 24 6.325 1.746 1.645 171 1HG2 VAL 24 1HG2 VAL 24 7.792 4.490 3.683 172 2HG2 VAL 24 2HG2 VAL 24 8.936 3.749 2.538 173 3HG2 VAL 24 3HG2 VAL 24 8.312 5.389 2.238 174 H LEU 25 HN LEU 25 4.059 4.497 1.276 175 HA LEU 25 HA LEU 25 3.298 2.629 -0.695 176 1HB LEU 25 2HB LEU 25 1.680 4.454 1.088 177 2HB LEU 25 3HB LEU 25 0.999 3.194 0.078 178 HG LEU 25 HG LEU 25 3.011 1.931 1.601 179 1HD1 LEU 25 1HD1 LEU 25 3.265 3.399 3.317 180 2HD1 LEU 25 2HD1 LEU 25 1.644 4.104 3.111 181 3HD1 LEU 25 3HD1 LEU 25 1.833 2.529 3.918 182 1HD2 LEU 25 1HD2 LEU 25 1.326 0.490 1.377 183 2HD2 LEU 25 2HD2 LEU 25 0.613 1.272 2.809 184 3HD2 LEU 25 3HD2 LEU 25 0.125 1.789 1.177 185 H GLU 26 HN GLU 26 3.993 3.415 -2.736 186 HA GLU 26 HA GLU 26 2.478 5.753 -3.604 187 1HB GLU 26 2HB GLU 26 5.075 4.791 -4.860 188 2HB GLU 26 3HB GLU 26 4.275 6.332 -5.103 189 1HG GLU 26 2HG GLU 26 4.590 6.533 -2.443 190 2HG GLU 26 3HG GLU 26 5.874 5.375 -2.728 191 H MET 27 HN MET 27 2.064 5.717 -6.091 192 HA MET 27 HA MET 27 0.560 3.487 -6.656 193 1HB MET 27 2HB MET 27 1.819 5.565 -8.533 194 2HB MET 27 3HB MET 27 0.524 4.483 -9.002 195 1HG MET 27 2HG MET 27 -0.890 6.130 -8.289 196 2HG MET 27 3HG MET 27 -0.502 5.588 -6.668 197 1HE MET 27 1HE MET 27 -0.269 9.346 -6.000 198 2HE MET 27 2HE MET 27 -1.503 8.297 -6.738 199 3HE MET 27 3HE MET 27 -0.631 7.758 -5.283 200 H VAL 28 HN VAL 28 0.929 1.540 -7.706 201 HA VAL 28 HA VAL 28 3.607 1.189 -8.860 202 HB VAL 28 HB VAL 28 3.838 -0.910 -7.839 203 1HG1 VAL 28 1HG1 VAL 28 4.484 0.063 -5.940 204 2HG1 VAL 28 2HG1 VAL 28 3.387 1.428 -6.253 205 3HG1 VAL 28 3HG1 VAL 28 2.808 0.012 -5.343 206 1HG2 VAL 28 1HG2 VAL 28 1.441 -1.109 -6.218 207 2HG2 VAL 28 2HG2 VAL 28 1.035 -1.027 -7.949 208 3HG2 VAL 28 3HG2 VAL 28 2.147 -2.284 -7.354 209 HA PRO 29 HA PRO 29 1.529 -0.579 -12.210 210 1HB PRO 29 2HB PRO 29 3.187 -2.581 -13.055 211 2HB PRO 29 3HB PRO 29 3.473 -0.889 -13.406 212 1HG PRO 29 2HG PRO 29 4.843 -2.634 -11.452 213 2HG PRO 29 3HG PRO 29 5.373 -1.102 -12.117 214 1HD PRO 29 2HD PRO 29 4.276 -1.553 -9.506 215 2HD PRO 29 3HD PRO 29 4.698 -0.006 -10.211 216 H TRP 30 HN TRP 30 -0.433 -1.447 -12.028 217 HA TRP 30 HA TRP 30 -0.424 -4.187 -10.958 218 1HB TRP 30 2HB TRP 30 -1.357 -2.633 -9.330 219 2HB TRP 30 3HB TRP 30 -2.482 -2.016 -10.524 220 HD1 TRP 30 HD1 TRP 30 -4.844 -2.982 -10.000 221 HE1 TRP 30 HE1 TRP 30 -5.934 -5.260 -9.234 222 HE3 TRP 30 HE3 TRP 30 -0.463 -5.517 -9.507 223 HZ2 TRP 30 HZ2 TRP 30 -4.865 -7.810 -8.523 224 HZ3 TRP 30 HZ3 TRP 30 -0.575 -7.896 -8.773 225 HH2 TRP 30 HH2 TRP 30 -2.678 -9.043 -8.287 226 H ASP 31 HN ASP 31 -3.528 -3.182 -11.808 227 HA ASP 31 HA ASP 31 -3.594 -3.062 -14.497 228 1HB ASP 31 2HB ASP 31 -2.594 -5.575 -13.846 229 2HB ASP 31 3HB ASP 31 -4.306 -5.908 -14.009 230 H GLY 32 HN GLY 32 -4.932 -4.986 -11.718 231 1HA GLY 32 1HA GLY 32 -7.606 -5.049 -12.504 232 2HA GLY 32 2HA GLY 32 -7.001 -5.167 -10.863 233 H CYS 33 HN CYS 33 -5.629 -2.347 -11.605 234 HA CYS 33 HA CYS 33 -7.772 -0.854 -10.422 235 1HB CYS 33 2HB CYS 33 -4.900 -0.614 -10.618 236 2HB CYS 33 3HB CYS 33 -5.648 0.881 -11.141 237 HG CYS 33 HG CYS 33 -4.926 0.367 -8.403 238 H LYS 34 HN LYS 34 -8.525 1.243 -11.426 239 HA LYS 34 HA LYS 34 -9.376 0.833 -14.051 240 1HB LYS 34 2HB LYS 34 -9.787 2.726 -11.926 241 2HB LYS 34 3HB LYS 34 -9.521 3.600 -13.420 242 1HG LYS 34 2HG LYS 34 -11.851 3.186 -13.448 243 2HG LYS 34 3HG LYS 34 -11.213 1.937 -14.497 244 1HD LYS 34 2HD LYS 34 -11.207 1.045 -11.705 245 2HD LYS 34 3HD LYS 34 -12.809 1.569 -12.182 246 1HE LYS 34 2HE LYS 34 -11.564 -0.029 -14.304 247 2HE LYS 34 3HE LYS 34 -11.581 -0.912 -12.790 248 1HZ LYS 34 1HZ LYS 34 -13.874 -0.726 -12.656 249 2HZ LYS 34 2HZ LYS 34 -13.969 0.472 -13.762 250 3HZ LYS 34 3HZ LYS 34 -13.615 -1.050 -14.235 251 H ALA 35 HN ALA 35 -6.434 2.208 -12.682 252 HA ALA 35 HA ALA 35 -5.674 3.102 -15.378 253 1HB ALA 35 1HB ALA 35 -3.838 4.242 -13.726 254 2HB ALA 35 2HB ALA 35 -5.370 5.024 -14.182 255 3HB ALA 35 3HB ALA 35 -5.238 4.163 -12.630 256 H GLY 36 HN GLY 36 -5.619 0.369 -13.738 257 1HA GLY 36 1HA GLY 36 -4.264 -1.419 -13.643 258 2HA GLY 36 2HA GLY 36 -3.380 -0.714 -14.982 259 H GLN 37 HN GLN 37 -3.770 0.926 -11.823 260 HA GLN 37 HA GLN 37 -1.053 0.172 -11.153 261 1HB GLN 37 2HB GLN 37 -0.519 2.560 -10.590 262 2HB GLN 37 3HB GLN 37 -0.769 2.292 -12.304 263 1HG GLN 37 2HG GLN 37 -2.399 3.864 -12.308 264 2HG GLN 37 3HG GLN 37 -3.344 2.881 -11.208 265 1HE2 GLN 37 1HE2 GLN 37 -3.594 3.465 -9.150 266 2HE2 GLN 37 2HE2 GLN 37 -2.865 4.839 -8.390 267 H ILE 38 HN ILE 38 -1.035 -0.584 -9.083 268 HA ILE 38 HA ILE 38 -3.209 0.317 -7.336 269 HB ILE 38 HB ILE 38 -2.714 -2.171 -8.038 270 1HG1 ILE 38 2HG1 ILE 38 -3.247 -2.224 -5.192 271 2HG1 ILE 38 3HG1 ILE 38 -4.090 -0.884 -5.942 272 1HG2 ILE 38 1HG2 ILE 38 -0.823 -1.752 -5.709 273 2HG2 ILE 38 2HG2 ILE 38 -1.352 -3.334 -6.330 274 3HG2 ILE 38 3HG2 ILE 38 -0.396 -2.245 -7.364 275 1HD1 ILE 38 1HD1 ILE 38 -5.429 -2.255 -7.239 276 2HD1 ILE 38 2HD1 ILE 38 -4.168 -3.500 -7.410 277 3HD1 ILE 38 3HD1 ILE 38 -5.107 -3.385 -5.903 278 H ALA 39 HN ALA 39 -2.777 1.232 -5.325 279 HA ALA 39 HA ALA 39 -0.189 2.411 -5.077 280 1HB ALA 39 1HB ALA 39 -2.873 2.761 -4.030 281 2HB ALA 39 2HB ALA 39 -1.684 2.787 -2.705 282 3HB ALA 39 3HB ALA 39 -1.520 3.918 -4.071 283 H SER 40 HN SER 40 1.563 1.546 -4.090 284 HA SER 40 HA SER 40 1.402 0.197 -1.686 285 1HB SER 40 2HB SER 40 1.490 -1.549 -4.157 286 2HB SER 40 3HB SER 40 2.314 -2.071 -2.701 287 HG SER 40 HG SER 40 -0.173 -1.202 -2.001 288 H SER 41 HN SER 41 3.695 -1.077 -1.352 289 HA SER 41 HA SER 41 5.623 0.872 -1.812 290 1HB SER 41 2HB SER 41 5.973 -2.051 -1.006 291 2HB SER 41 3HB SER 41 7.202 -0.810 -0.849 292 HG SER 41 HG SER 41 5.235 -1.429 0.895 293 HA PRO 42 HA PRO 42 6.747 -0.447 -5.850 294 1HB PRO 42 2HB PRO 42 8.562 1.525 -6.381 295 2HB PRO 42 3HB PRO 42 6.838 1.717 -6.632 296 1HG PRO 42 2HG PRO 42 8.531 2.825 -4.478 297 2HG PRO 42 3HG PRO 42 6.934 3.331 -4.988 298 1HD PRO 42 2HD PRO 42 7.580 1.781 -2.664 299 2HD PRO 42 3HD PRO 42 5.976 2.189 -3.238 300 H ARG 43 HN ARG 43 9.353 0.607 -3.710 301 HA ARG 43 HA ARG 43 10.598 -1.932 -4.290 302 1HB ARG 43 2HB ARG 43 11.961 0.787 -4.611 303 2HB ARG 43 3HB ARG 43 12.848 -0.722 -4.527 304 1HG ARG 43 2HG ARG 43 11.547 -1.568 -6.514 305 2HG ARG 43 3HG ARG 43 10.730 -0.020 -6.615 306 1HD ARG 43 2HD ARG 43 13.021 1.087 -6.850 307 2HD ARG 43 3HD ARG 43 13.728 -0.514 -6.937 308 HE ARG 43 HE ARG 43 12.892 -0.753 -9.119 309 1HH1 ARG 43 1HH1 ARG 43 10.863 1.379 -10.993 310 2HH1 ARG 43 2HH1 ARG 43 11.871 -0.028 -11.031 311 1HH2 ARG 43 1HH2 ARG 43 10.547 2.528 -9.001 312 2HH2 ARG 43 2HH2 ARG 43 11.322 1.978 -7.552 313 H THR 44 HN THR 44 9.228 -0.165 -2.036 314 HA THR 44 HA THR 44 9.570 0.387 0.115 315 HB THR 44 HB THR 44 10.986 -2.327 -0.011 316 HG1 THR 44 1HG THR 44 8.674 -2.948 0.415 317 1HG2 THR 44 1HG2 THR 44 9.186 -1.886 2.231 318 2HG2 THR 44 2HG2 THR 44 10.913 -2.312 2.272 319 3HG2 THR 44 3HG2 THR 44 10.420 -0.603 2.211 320 H GLU 45 HN GLU 45 11.706 1.284 -1.844 321 HA GLU 45 HA GLU 45 14.192 1.053 -0.767 322 1HB GLU 45 2HB GLU 45 14.685 3.209 -1.934 323 2HB GLU 45 3HB GLU 45 13.804 2.081 -2.943 324 1HG GLU 45 2HG GLU 45 11.741 3.274 -2.684 325 2HG GLU 45 3HG GLU 45 12.326 4.164 -1.293 326 H ASP 46 HN ASP 46 11.433 3.044 0.282 327 HA ASP 46 HA ASP 46 13.150 4.327 2.233 328 1HB ASP 46 2HB ASP 46 10.846 5.135 0.722 329 2HB ASP 46 3HB ASP 46 10.360 5.118 2.405 330 H CYS 47 HN CYS 47 11.028 4.845 4.176 331 HA CYS 47 HA CYS 47 9.833 3.937 5.796 332 1HB CYS 47 2HB CYS 47 8.714 2.523 4.070 333 2HB CYS 47 3HB CYS 47 9.934 1.290 4.313 334 H VAL 48 HN VAL 48 10.589 3.302 7.836 335 HA VAL 48 HA VAL 48 12.778 1.406 7.965 336 HB VAL 48 HB VAL 48 13.897 3.534 7.608 337 1HG1 VAL 48 1HG1 VAL 48 13.656 5.428 9.060 338 2HG1 VAL 48 2HG1 VAL 48 12.029 4.957 8.513 339 3HG1 VAL 48 3HG1 VAL 48 12.576 4.527 10.151 340 1HG2 VAL 48 1HG2 VAL 48 14.208 1.862 9.955 341 2HG2 VAL 48 2HG2 VAL 48 15.448 2.613 8.923 342 3HG2 VAL 48 3HG2 VAL 48 14.753 3.524 10.286 343 H GLY 49 HN GLY 49 10.093 1.033 8.659 344 1HA GLY 49 1HA GLY 49 8.929 0.170 10.386 345 2HA GLY 49 2HA GLY 49 10.342 0.345 11.406 346 H CYS 50 HN CYS 50 7.641 2.223 9.898 347 HA CYS 50 HA CYS 50 7.703 3.915 12.287 348 1HB CYS 50 2HB CYS 50 7.986 5.767 11.082 349 2HB CYS 50 3HB CYS 50 8.254 4.775 9.663 350 H LYS 51 HN LYS 51 5.825 3.575 13.421 351 HA LYS 51 HA LYS 51 3.651 2.201 12.191 352 1HB LYS 51 2HB LYS 51 4.295 1.767 14.503 353 2HB LYS 51 3HB LYS 51 3.979 3.434 14.942 354 1HG LYS 51 2HG LYS 51 1.566 3.037 14.049 355 2HG LYS 51 3HG LYS 51 1.965 1.331 14.053 356 1HD LYS 51 2HD LYS 51 2.175 1.240 16.404 357 2HD LYS 51 3HD LYS 51 2.506 2.954 16.548 358 1HE LYS 51 2HE LYS 51 0.287 3.487 16.693 359 2HE LYS 51 3HE LYS 51 -0.144 2.440 15.356 360 1HZ LYS 51 1HZ LYS 51 -1.086 1.679 17.418 361 2HZ LYS 51 2HZ LYS 51 -0.028 0.570 16.854 362 3HZ LYS 51 3HZ LYS 51 0.391 1.538 18.101 363 H ARG 52 HN ARG 52 3.340 3.795 10.399 364 HA ARG 52 HA ARG 52 1.424 5.750 11.309 365 1HB ARG 52 2HB ARG 52 3.811 6.771 10.889 366 2HB ARG 52 3HB ARG 52 3.475 6.512 9.189 367 1HG ARG 52 2HG ARG 52 2.681 8.698 9.477 368 2HG ARG 52 3HG ARG 52 1.208 7.773 9.693 369 1HD ARG 52 2HD ARG 52 2.157 7.773 12.275 370 2HD ARG 52 3HD ARG 52 2.802 9.303 11.712 371 HE ARG 52 HE ARG 52 0.136 9.285 10.843 372 1HH1 ARG 52 1HH1 ARG 52 -1.435 10.448 13.734 373 2HH1 ARG 52 2HH1 ARG 52 -1.578 10.234 12.020 374 1HH2 ARG 52 1HH2 ARG 52 0.493 9.771 14.833 375 2HH2 ARG 52 2HH2 ARG 52 1.792 9.051 13.940 376 H CYS 53 HN CYS 53 0.771 3.291 10.218 377 HA CYS 53 HA CYS 53 -0.696 4.027 7.957 378 1HB CYS 53 2HB CYS 53 0.325 2.741 6.201 379 2HB CYS 53 3HB CYS 53 1.517 3.863 6.828 380 H GLU 54 HN GLU 54 -1.740 3.105 10.165 381 HA GLU 54 HA GLU 54 -1.656 0.234 10.229 382 1HB GLU 54 2HB GLU 54 -2.440 2.401 12.047 383 2HB GLU 54 3HB GLU 54 -3.641 1.126 12.020 384 1HG GLU 54 2HG GLU 54 -1.801 -0.565 12.412 385 2HG GLU 54 3HG GLU 54 -0.651 0.754 12.533 386 H THR 55 HN THR 55 -2.784 1.751 7.864 387 HA THR 55 HA THR 55 -5.524 0.670 7.994 388 HB THR 55 HB THR 55 -6.246 2.553 6.713 389 HG1 THR 55 1HG THR 55 -4.491 3.880 5.689 390 1HG2 THR 55 1HG2 THR 55 -5.231 3.174 9.087 391 2HG2 THR 55 2HG2 THR 55 -3.917 3.894 8.127 392 3HG2 THR 55 3HG2 THR 55 -5.587 4.479 7.930 393 H ALA 56 HN ALA 56 -3.564 -1.146 7.478 394 HA ALA 56 HA ALA 56 -2.884 -1.281 4.740 395 1HB ALA 56 1HB ALA 56 -1.462 -2.550 6.028 396 2HB ALA 56 2HB ALA 56 -2.745 -3.038 7.161 397 3HB ALA 56 3HB ALA 56 -2.619 -3.822 5.569 398 H CYS 57 HN CYS 57 -5.339 -0.581 4.289 399 HA CYS 57 HA CYS 57 -7.240 -1.108 3.331 400 1HB CYS 57 2HB CYS 57 -5.421 -3.104 2.414 401 2HB CYS 57 3HB CYS 57 -6.958 -3.897 2.697 402 HA PRO 58 HA PRO 58 -9.746 -3.267 6.181 403 1HB PRO 58 2HB PRO 58 -11.717 -4.483 4.730 404 2HB PRO 58 3HB PRO 58 -11.716 -2.769 5.096 405 1HG PRO 58 2HG PRO 58 -11.091 -4.120 2.542 406 2HG PRO 58 3HG PRO 58 -11.506 -2.441 2.822 407 1HD PRO 58 2HD PRO 58 -8.891 -3.497 2.305 408 2HD PRO 58 3HD PRO 58 -9.292 -1.837 2.700 409 H THR 59 HN THR 59 -7.770 -4.978 4.242 410 HA THR 59 HA THR 59 -6.749 -6.934 4.705 411 HB THR 59 HB THR 59 -8.926 -7.764 6.646 412 HG1 THR 59 1HG THR 59 -7.755 -6.316 8.162 413 1HG2 THR 59 1HG2 THR 59 -6.654 -9.033 6.108 414 2HG2 THR 59 2HG2 THR 59 -5.923 -7.742 7.090 415 3HG2 THR 59 3HG2 THR 59 -7.147 -8.818 7.804 416 H ASP 60 HN ASP 60 -10.042 -6.474 3.764 417 HA ASP 60 HA ASP 60 -10.900 -8.957 3.194 418 1HB ASP 60 2HB ASP 60 -11.547 -6.300 2.436 419 2HB ASP 60 3HB ASP 60 -11.362 -7.159 0.919 420 H PHE 61 HN PHE 61 -8.278 -7.086 1.722 421 HA PHE 61 HA PHE 61 -8.111 -8.911 -0.538 422 1HB PHE 61 2HB PHE 61 -7.326 -6.155 0.213 423 2HB PHE 61 3HB PHE 61 -5.962 -7.020 -0.467 424 HD1 PHE 61 1HD PHE 61 -8.555 -4.909 -1.271 425 HD2 PHE 61 2HD PHE 61 -6.692 -8.455 -2.670 426 HE1 PHE 61 1HE PHE 61 -9.419 -4.449 -3.583 427 HE2 PHE 61 2HE PHE 61 -7.556 -7.996 -4.982 428 HZ PHE 61 HZ PHE 61 -8.909 -5.999 -5.410 429 H LEU 62 HN LEU 62 -5.600 -7.372 1.584 430 HA LEU 62 HA LEU 62 -4.004 -9.753 1.355 431 1HB LEU 62 2HB LEU 62 -2.287 -8.428 1.839 432 2HB LEU 62 3HB LEU 62 -3.410 -7.131 1.480 433 HG LEU 62 HG LEU 62 -3.084 -8.185 4.289 434 1HD1 LEU 62 1HD1 LEU 62 -1.590 -5.968 4.399 435 2HD1 LEU 62 2HD1 LEU 62 -0.909 -7.580 4.080 436 3HD1 LEU 62 3HD1 LEU 62 -1.226 -6.464 2.729 437 1HD2 LEU 62 1HD2 LEU 62 -3.584 -5.401 4.187 438 2HD2 LEU 62 2HD2 LEU 62 -4.698 -6.174 3.036 439 3HD2 LEU 62 3HD2 LEU 62 -4.668 -6.701 4.736 440 H SER 63 HN SER 63 -3.772 -11.367 2.846 441 HA SER 63 HA SER 63 -5.703 -11.585 4.826 442 1HB SER 63 2HB SER 63 -3.581 -13.192 3.698 443 2HB SER 63 3HB SER 63 -3.484 -13.301 5.445 444 HG SER 63 HG SER 63 -5.207 -14.559 5.435 445 H ILE 64 HN ILE 64 -2.162 -11.856 5.524 446 HA ILE 64 HA ILE 64 -1.986 -9.589 7.138 447 HB ILE 64 HB ILE 64 -3.646 -11.014 8.447 448 1HG1 ILE 64 2HG1 ILE 64 -1.542 -10.556 10.392 449 2HG1 ILE 64 3HG1 ILE 64 -1.599 -9.249 9.226 450 1HG2 ILE 64 1HG2 ILE 64 -3.039 -12.944 9.487 451 2HG2 ILE 64 2HG2 ILE 64 -2.014 -13.077 8.038 452 3HG2 ILE 64 3HG2 ILE 64 -1.317 -12.498 9.571 453 1HD1 ILE 64 1HD1 ILE 64 -3.216 -8.497 10.711 454 2HD1 ILE 64 2HD1 ILE 64 -4.249 -9.467 9.635 455 3HD1 ILE 64 3HD1 ILE 64 -3.696 -10.144 11.184 456 H ARG 65 HN ARG 65 0.167 -9.213 7.673 457 HA ARG 65 HA ARG 65 1.940 -11.478 7.317 458 1HB ARG 65 2HB ARG 65 1.817 -8.993 5.673 459 2HB ARG 65 3HB ARG 65 3.427 -9.389 6.241 460 1HG ARG 65 2HG ARG 65 2.046 -11.788 5.269 461 2HG ARG 65 3HG ARG 65 2.069 -10.541 4.037 462 1HD ARG 65 2HD ARG 65 4.196 -11.215 3.574 463 2HD ARG 65 3HD ARG 65 4.670 -10.426 5.065 464 HE ARG 65 HE ARG 65 3.837 -12.858 5.995 465 1HH1 ARG 65 1HH1 ARG 65 6.410 -15.024 5.064 466 2HH1 ARG 65 2HH1 ARG 65 5.084 -14.766 6.147 467 1HH2 ARG 65 1HH2 ARG 65 6.922 -13.429 3.457 468 2HH2 ARG 65 2HH2 ARG 65 5.976 -11.982 3.341 469 H VAL 66 HN VAL 66 4.391 -10.397 7.817 470 HA VAL 66 HA VAL 66 4.017 -8.830 10.275 471 HB VAL 66 HB VAL 66 4.477 -11.066 10.926 472 1HG1 VAL 66 1HG1 VAL 66 6.868 -11.047 9.052 473 2HG1 VAL 66 2HG1 VAL 66 6.348 -12.386 10.103 474 3HG1 VAL 66 3HG1 VAL 66 5.324 -11.876 8.741 475 1HG2 VAL 66 1HG2 VAL 66 5.652 -9.538 12.302 476 2HG2 VAL 66 2HG2 VAL 66 6.818 -10.827 11.921 477 3HG2 VAL 66 3HG2 VAL 66 6.908 -9.266 11.070 478 H TYR 67 HN TYR 67 4.342 -6.928 8.892 479 HA TYR 67 HA TYR 67 7.178 -6.639 8.154 480 1HB TYR 67 2HB TYR 67 4.517 -6.017 6.859 481 2HB TYR 67 3HB TYR 67 5.731 -4.766 6.685 482 HD1 TYR 67 HD1 TYR 67 5.661 -8.521 6.441 483 HD2 TYR 67 HD2 TYR 67 6.876 -4.817 4.678 484 HE1 TYR 67 HE1 TYR 67 6.689 -9.780 4.487 485 HE2 TYR 67 HE2 TYR 67 7.901 -6.089 2.730 486 HH TYR 67 HH TYR 67 7.160 -9.073 1.939 487 H LEU 68 HN LEU 68 4.168 -4.750 8.944 488 HA LEU 68 HA LEU 68 5.223 -2.367 9.542 489 1HB LEU 68 2HB LEU 68 2.899 -3.914 10.390 490 2HB LEU 68 3HB LEU 68 3.410 -2.755 11.602 491 HG LEU 68 HG LEU 68 1.679 -1.866 10.093 492 1HD1 LEU 68 1HD1 LEU 68 4.393 -0.545 10.085 493 2HD1 LEU 68 2HD1 LEU 68 2.945 0.241 9.412 494 3HD1 LEU 68 3HD1 LEU 68 2.992 -0.216 11.132 495 1HD2 LEU 68 1HD2 LEU 68 3.770 -2.150 7.916 496 2HD2 LEU 68 2HD2 LEU 68 2.269 -3.095 8.064 497 3HD2 LEU 68 3HD2 LEU 68 2.192 -1.343 7.758 498 H GLY 69 HN GLY 69 7.310 -2.266 10.360 499 1HA GLY 69 1HA GLY 69 9.025 -2.679 11.812 500 2HA GLY 69 2HA GLY 69 7.880 -1.947 12.918 501 H ALA 70 HN ALA 70 8.824 -5.136 11.479 502 HA ALA 70 HA ALA 70 8.388 -6.324 14.106 503 1HB ALA 70 1HB ALA 70 7.320 -8.303 12.762 504 2HB ALA 70 2HB ALA 70 6.316 -6.891 13.171 505 3HB ALA 70 3HB ALA 70 6.987 -7.060 11.532 506 H GLU 71 HN GLU 71 9.241 -7.158 10.665 507 HA GLU 71 HA GLU 71 10.905 -9.184 11.127 508 1HB GLU 71 2HB GLU 71 10.608 -7.139 9.031 509 2HB GLU 71 3HB GLU 71 12.246 -7.755 9.121 510 1HG GLU 71 2HG GLU 71 11.639 -9.882 8.447 511 2HG GLU 71 3HG GLU 71 10.106 -9.832 9.293 512 H THR 72 HN THR 72 12.207 -5.821 10.623 513 HA THR 72 HA THR 72 14.249 -5.031 11.206 514 HB THR 72 HB THR 72 14.262 -4.627 13.687 515 HG1 THR 72 1HG THR 72 12.300 -5.777 14.709 516 1HG2 THR 72 1HG2 THR 72 12.513 -3.464 12.129 517 2HG2 THR 72 2HG2 THR 72 11.354 -4.653 12.770 518 3HG2 THR 72 3HG2 THR 72 12.148 -3.503 13.870 519 H THR 73 HN THR 73 15.075 -7.162 10.067 520 HA THR 73 HA THR 73 17.176 -8.110 11.796 521 HB THR 73 HB THR 73 15.257 -9.653 12.315 522 HG1 THR 73 1HG THR 73 16.583 -11.577 11.341 523 1HG2 THR 73 1HG2 THR 73 14.349 -11.117 10.633 524 2HG2 THR 73 2HG2 THR 73 14.261 -9.492 9.912 525 3HG2 THR 73 3HG2 THR 73 15.562 -10.609 9.432 526 H ARG 74 HN ARG 74 15.464 -8.319 8.631 527 HA ARG 74 HA ARG 74 18.016 -8.881 7.413 528 1HB ARG 74 2HB ARG 74 16.691 -9.276 5.349 529 2HB ARG 74 3HB ARG 74 16.031 -10.196 6.687 530 1HG ARG 74 2HG ARG 74 14.786 -7.581 6.681 531 2HG ARG 74 3HG ARG 74 14.701 -8.234 5.058 532 1HD ARG 74 2HD ARG 74 13.881 -9.831 7.527 533 2HD ARG 74 3HD ARG 74 12.752 -8.859 6.607 534 HE ARG 74 HE ARG 74 13.793 -11.449 5.848 535 1HH1 ARG 74 1HH1 ARG 74 12.579 -11.314 2.579 536 2HH1 ARG 74 2HH1 ARG 74 13.216 -12.337 3.823 537 1HH2 ARG 74 1HH2 ARG 74 12.312 -9.042 2.968 538 2HH2 ARG 74 2HH2 ARG 74 12.749 -8.369 4.503 539 H SER 75 HN SER 75 15.721 -6.281 7.987 540 HA SER 75 HA SER 75 17.174 -4.639 6.063 541 1HB SER 75 2HB SER 75 14.362 -4.991 6.513 542 2HB SER 75 3HB SER 75 14.758 -3.360 7.016 543 HG SER 75 HG SER 75 15.010 -4.570 4.432 544 H MET 76 HN MET 76 16.884 -5.420 9.332 545 HA MET 76 HA MET 76 17.123 -4.318 11.238 546 1HB MET 76 2HB MET 76 19.440 -3.690 9.408 547 2HB MET 76 3HB MET 76 19.395 -2.811 10.924 548 1HG MET 76 2HG MET 76 18.851 -5.369 11.808 549 2HG MET 76 3HG MET 76 19.878 -5.717 10.431 550 1HE MET 76 1HE MET 76 20.599 -6.574 13.161 551 2HE MET 76 2HE MET 76 21.780 -5.609 14.078 552 3HE MET 76 3HE MET 76 20.049 -5.199 14.149 553 H GLY 77 HN GLY 77 18.713 -1.598 9.577 554 1HA GLY 77 1HA GLY 77 16.344 0.093 10.026 555 2HA GLY 77 2HA GLY 77 17.876 0.525 10.760 556 H LEU 78 HN LEU 78 19.681 -0.307 8.678 557 HA LEU 78 HA LEU 78 18.938 1.643 6.612 558 1HB LEU 78 2HB LEU 78 20.766 2.587 7.567 559 2HB LEU 78 3HB LEU 78 21.453 1.055 8.067 560 HG LEU 78 HG LEU 78 22.722 2.350 6.300 561 1HD1 LEU 78 1HD1 LEU 78 23.707 0.383 6.043 562 2HD1 LEU 78 2HD1 LEU 78 22.224 -0.455 6.562 563 3HD1 LEU 78 3HD1 LEU 78 22.474 -0.072 4.842 564 1HD2 LEU 78 1HD2 LEU 78 21.534 1.464 3.955 565 2HD2 LEU 78 2HD2 LEU 78 20.167 2.057 4.928 566 3HD2 LEU 78 3HD2 LEU 78 21.544 3.130 4.579 567 H ALA 79 HN ALA 79 20.379 -1.579 7.308 568 HA ALA 79 HA ALA 79 21.214 -2.456 4.952 569 1HB ALA 79 1HB ALA 79 19.829 -3.635 7.270 570 2HB ALA 79 2HB ALA 79 19.638 -4.581 5.774 571 3HB ALA 79 3HB ALA 79 21.266 -4.205 6.387 572 H TYR 80 HN TYR 80 17.840 -1.664 5.796 573 HA TYR 80 HA TYR 80 16.595 -2.896 3.625 574 1HB TYR 80 2HB TYR 80 14.756 -1.651 4.487 575 2HB TYR 80 3HB TYR 80 15.837 -1.581 5.866 576 HD1 TYR 80 HD1 TYR 80 13.949 0.329 3.521 577 HD2 TYR 80 HD2 TYR 80 17.419 0.486 6.021 578 HE1 TYR 80 HE1 TYR 80 13.903 2.870 3.438 579 HE2 TYR 80 HE2 TYR 80 17.361 3.026 5.928 580 HH TYR 80 HH TYR 80 15.498 4.705 3.687 Start of MODEL 11 1 H SER 1 HN SER 1 -5.660 -6.950 10.593 2 HA SER 1 HA SER 1 -5.736 -7.401 7.724 3 1HB SER 1 2HB SER 1 -6.076 -4.748 9.169 4 2HB SER 1 3HB SER 1 -5.520 -4.820 7.509 5 HG SER 1 HG SER 1 -7.774 -4.583 7.459 6 H HIS 2 HN HIS 2 -4.136 -4.644 9.323 7 HA HIS 2 HA HIS 2 -2.013 -4.064 9.407 8 1HB HIS 2 2HB HIS 2 -2.046 -6.814 10.597 9 2HB HIS 2 3HB HIS 2 -0.504 -6.012 10.378 10 HD1 HIS 2 HD1 HIS 2 -0.591 -6.199 13.129 11 HD2 HIS 2 HD2 HIS 2 -3.139 -3.409 11.307 12 HE1 HIS 2 HE1 HIS 2 -1.292 -4.568 14.962 13 H SER 3 HN SER 3 0.449 -5.120 8.869 14 HA SER 3 HA SER 3 1.821 -5.659 7.277 15 1HB SER 3 2HB SER 3 1.140 -7.890 7.131 16 2HB SER 3 3HB SER 3 -0.482 -7.478 6.613 17 HG SER 3 HG SER 3 0.373 -6.889 4.521 18 H VAL 4 HN VAL 4 2.219 -5.451 4.779 19 HA VAL 4 HA VAL 4 0.289 -4.171 3.195 20 HB VAL 4 HB VAL 4 0.651 -2.357 4.819 21 1HG1 VAL 4 1HG1 VAL 4 3.499 -2.884 4.140 22 2HG1 VAL 4 2HG1 VAL 4 3.026 -1.178 4.329 23 3HG1 VAL 4 3HG1 VAL 4 2.763 -2.328 5.662 24 1HG2 VAL 4 1HG2 VAL 4 0.432 -2.161 2.126 25 2HG2 VAL 4 2HG2 VAL 4 0.451 -0.760 3.223 26 3HG2 VAL 4 3HG2 VAL 4 1.941 -1.254 2.384 27 H LYS 5 HN LYS 5 2.020 -6.399 2.961 28 HA LYS 5 HA LYS 5 4.467 -5.891 1.799 29 1HB LYS 5 2HB LYS 5 2.593 -8.122 2.018 30 2HB LYS 5 3HB LYS 5 3.477 -8.151 0.504 31 1HG LYS 5 2HG LYS 5 4.890 -7.699 3.163 32 2HG LYS 5 3HG LYS 5 4.571 -9.312 2.558 33 1HD LYS 5 2HD LYS 5 5.923 -7.288 0.754 34 2HD LYS 5 3HD LYS 5 6.864 -8.106 1.985 35 1HE LYS 5 2HE LYS 5 6.060 -10.325 1.064 36 2HE LYS 5 3HE LYS 5 5.234 -9.461 -0.218 37 1HZ LYS 5 1HZ LYS 5 7.219 -9.859 -1.185 38 2HZ LYS 5 2HZ LYS 5 7.588 -8.420 -0.504 39 3HZ LYS 5 3HZ LYS 5 8.077 -9.808 0.203 40 H ILE 6 HN ILE 6 4.600 -6.877 -0.762 41 HA ILE 6 HA ILE 6 3.457 -4.656 -2.218 42 HB ILE 6 HB ILE 6 5.225 -6.834 -3.304 43 1HG1 ILE 6 2HG1 ILE 6 6.445 -6.173 -1.406 44 2HG1 ILE 6 3HG1 ILE 6 7.133 -5.261 -2.735 45 1HG2 ILE 6 1HG2 ILE 6 5.032 -3.912 -4.065 46 2HG2 ILE 6 2HG2 ILE 6 5.863 -5.224 -4.935 47 3HG2 ILE 6 3HG2 ILE 6 4.085 -5.202 -4.844 48 1HD1 ILE 6 1HD1 ILE 6 5.167 -4.258 -0.633 49 2HD1 ILE 6 2HD1 ILE 6 6.839 -3.713 -0.906 50 3HD1 ILE 6 3HD1 ILE 6 5.573 -3.334 -2.098 51 H TYR 7 HN TYR 7 1.348 -6.083 -1.329 52 HA TYR 7 HA TYR 7 0.650 -7.994 -3.422 53 1HB TYR 7 2HB TYR 7 -0.433 -7.046 -0.710 54 2HB TYR 7 3HB TYR 7 -1.429 -8.047 -1.748 55 HD1 TYR 7 HD1 TYR 7 0.535 -9.973 -2.841 56 HD2 TYR 7 HD2 TYR 7 0.129 -8.395 1.114 57 HE1 TYR 7 HE1 TYR 7 1.642 -12.055 -1.889 58 HE2 TYR 7 HE2 TYR 7 1.236 -10.482 2.053 59 HH TYR 7 HH TYR 7 1.786 -12.597 1.570 60 H ASP 8 HN ASP 8 -1.580 -7.854 -4.383 61 HA ASP 8 HA ASP 8 -1.976 -5.158 -5.246 62 1HB ASP 8 2HB ASP 8 -3.376 -6.099 -6.941 63 2HB ASP 8 3HB ASP 8 -2.064 -7.244 -6.738 64 H THR 9 HN THR 9 -2.548 -5.365 -2.498 65 HA THR 9 HA THR 9 -5.387 -5.857 -2.180 66 HB THR 9 HB THR 9 -3.903 -6.631 -0.413 67 HG1 THR 9 1HG THR 9 -4.980 -4.007 0.329 68 1HG2 THR 9 1HG2 THR 9 -2.474 -4.153 -0.991 69 2HG2 THR 9 2HG2 THR 9 -2.942 -4.190 0.726 70 3HG2 THR 9 3HG2 THR 9 -1.964 -5.510 0.042 71 H CYS 10 HN CYS 10 -6.520 -4.341 -3.363 72 HA CYS 10 HA CYS 10 -6.675 -1.787 -2.122 73 1HB CYS 10 2HB CYS 10 -4.692 -1.622 -3.776 74 2HB CYS 10 3HB CYS 10 -5.902 -1.699 -5.042 75 H ILE 11 HN ILE 11 -8.583 -0.572 -3.037 76 HA ILE 11 HA ILE 11 -10.307 -2.314 -4.649 77 HB ILE 11 HB ILE 11 -12.204 -1.684 -3.275 78 1HG1 ILE 11 2HG1 ILE 11 -11.323 -0.708 -0.900 79 2HG1 ILE 11 3HG1 ILE 11 -10.215 0.101 -1.989 80 1HG2 ILE 11 1HG2 ILE 11 -10.955 -3.749 -2.785 81 2HG2 ILE 11 2HG2 ILE 11 -9.956 -2.856 -1.613 82 3HG2 ILE 11 3HG2 ILE 11 -11.704 -3.047 -1.330 83 1HD1 ILE 11 1HD1 ILE 11 -12.741 0.294 -3.258 84 2HD1 ILE 11 2HD1 ILE 11 -13.047 0.621 -1.535 85 3HD1 ILE 11 3HD1 ILE 11 -11.857 1.597 -2.429 86 H GLY 12 HN GLY 12 -9.423 0.980 -3.512 87 1HA GLY 12 1HA GLY 12 -9.208 2.402 -5.655 88 2HA GLY 12 2HA GLY 12 -10.936 2.127 -5.760 89 H CYS 13 HN CYS 13 -8.962 2.558 -2.764 90 HA CYS 13 HA CYS 13 -10.482 5.022 -2.302 91 1HB CYS 13 2HB CYS 13 -11.125 4.324 -0.275 92 2HB CYS 13 3HB CYS 13 -10.665 2.715 -0.797 93 H THR 14 HN THR 14 -9.144 6.229 -0.314 94 HA THR 14 HA THR 14 -6.283 6.054 -0.919 95 HB THR 14 HB THR 14 -6.231 8.533 -1.195 96 HG1 THR 14 1HG THR 14 -8.597 9.368 -1.436 97 1HG2 THR 14 1HG2 THR 14 -6.878 6.971 -3.210 98 2HG2 THR 14 2HG2 THR 14 -8.535 7.557 -2.932 99 3HG2 THR 14 3HG2 THR 14 -7.244 8.707 -3.353 100 H GLN 15 HN GLN 15 -6.230 4.905 1.127 101 HA GLN 15 HA GLN 15 -6.434 6.816 3.321 102 1HB GLN 15 2HB GLN 15 -7.124 4.991 4.812 103 2HB GLN 15 3HB GLN 15 -8.240 5.120 3.467 104 1HG GLN 15 2HG GLN 15 -7.034 3.262 2.294 105 2HG GLN 15 3HG GLN 15 -5.928 3.130 3.646 106 1HE2 GLN 15 1HE2 GLN 15 -6.513 1.021 4.058 107 2HE2 GLN 15 2HE2 GLN 15 -8.013 0.570 4.796 108 H CYS 16 HN CYS 16 -4.870 3.818 2.036 109 HA CYS 16 HA CYS 16 -2.747 4.024 3.948 110 1HB CYS 16 2HB CYS 16 -1.881 2.019 2.963 111 2HB CYS 16 3HB CYS 16 -3.618 1.834 3.114 112 H VAL 17 HN VAL 17 -3.548 6.060 1.610 113 HA VAL 17 HA VAL 17 -0.820 6.273 0.534 114 HB VAL 17 HB VAL 17 -3.401 7.258 -0.694 115 1HG1 VAL 17 1HG1 VAL 17 -1.667 8.604 -1.531 116 2HG1 VAL 17 2HG1 VAL 17 -0.518 7.247 -1.596 117 3HG1 VAL 17 3HG1 VAL 17 -1.861 7.332 -2.761 118 1HG2 VAL 17 1HG2 VAL 17 -3.672 5.315 -1.817 119 2HG2 VAL 17 2HG2 VAL 17 -1.922 5.060 -2.012 120 3HG2 VAL 17 3HG2 VAL 17 -2.720 4.627 -0.480 121 H ARG 18 HN ARG 18 -2.308 7.279 3.102 122 HA ARG 18 HA ARG 18 -1.591 10.064 2.641 123 1HB ARG 18 2HB ARG 18 -4.058 8.881 3.740 124 2HB ARG 18 3HB ARG 18 -3.342 10.018 4.866 125 1HG ARG 18 2HG ARG 18 -4.743 11.379 3.517 126 2HG ARG 18 3HG ARG 18 -3.146 11.648 2.851 127 1HD ARG 18 2HD ARG 18 -4.043 9.408 1.423 128 2HD ARG 18 3HD ARG 18 -5.502 10.360 1.609 129 HE ARG 18 HE ARG 18 -3.102 11.108 0.075 130 1HH1 ARG 18 1HH1 ARG 18 -4.568 14.075 -1.032 131 2HH1 ARG 18 2HH1 ARG 18 -3.242 12.979 -1.231 132 1HH2 ARG 18 1HH2 ARG 18 -6.202 13.644 0.559 133 2HH2 ARG 18 2HH2 ARG 18 -6.095 12.226 1.548 134 H ALA 19 HN ALA 19 -1.979 7.397 5.071 135 HA ALA 19 HA ALA 19 -0.458 8.707 7.066 136 1HB ALA 19 1HB ALA 19 -1.526 5.923 6.589 137 2HB ALA 19 2HB ALA 19 -0.399 6.230 7.932 138 3HB ALA 19 3HB ALA 19 -1.955 7.093 7.861 139 H CYS 20 HN CYS 20 1.380 9.436 5.695 140 HA CYS 20 HA CYS 20 3.599 7.828 6.090 141 1HB CYS 20 2HB CYS 20 2.577 6.472 4.233 142 2HB CYS 20 3HB CYS 20 2.768 7.853 3.172 143 HA PRO 21 HA PRO 21 4.635 12.074 5.427 144 1HB PRO 21 2HB PRO 21 6.964 12.074 6.856 145 2HB PRO 21 3HB PRO 21 5.394 12.355 7.583 146 1HG PRO 21 2HG PRO 21 7.086 9.934 7.704 147 2HG PRO 21 3HG PRO 21 5.749 10.393 8.742 148 1HD PRO 21 2HD PRO 21 5.699 8.440 6.641 149 2HD PRO 21 3HD PRO 21 4.337 8.984 7.601 150 H LEU 22 HN LEU 22 7.613 10.194 5.584 151 HA LEU 22 HA LEU 22 8.950 11.503 3.644 152 1HB LEU 22 2HB LEU 22 9.971 9.130 3.211 153 2HB LEU 22 3HB LEU 22 10.250 9.998 4.708 154 HG LEU 22 HG LEU 22 7.901 8.176 4.677 155 1HD1 LEU 22 1HD1 LEU 22 9.278 6.681 3.523 156 2HD1 LEU 22 2HD1 LEU 22 10.739 7.200 4.396 157 3HD1 LEU 22 3HD1 LEU 22 9.496 6.241 5.234 158 1HD2 LEU 22 1HD2 LEU 22 9.764 7.833 6.849 159 2HD2 LEU 22 2HD2 LEU 22 9.432 9.563 6.588 160 3HD2 LEU 22 3HD2 LEU 22 8.088 8.431 6.872 161 H ASP 23 HN ASP 23 7.747 8.236 2.746 162 HA ASP 23 HA ASP 23 5.850 8.766 0.990 163 1HB ASP 23 2HB ASP 23 7.223 8.812 -1.242 164 2HB ASP 23 3HB ASP 23 6.988 10.312 -0.367 165 H VAL 24 HN VAL 24 5.305 6.567 1.265 166 HA VAL 24 HA VAL 24 7.269 4.635 0.245 167 HB VAL 24 HB VAL 24 5.512 4.490 2.695 168 1HG1 VAL 24 1HG1 VAL 24 6.616 2.311 0.993 169 2HG1 VAL 24 2HG1 VAL 24 6.800 2.124 2.754 170 3HG1 VAL 24 3HG1 VAL 24 5.181 2.334 2.046 171 1HG2 VAL 24 1HG2 VAL 24 8.460 3.871 2.532 172 2HG2 VAL 24 2HG2 VAL 24 7.883 5.548 2.688 173 3HG2 VAL 24 3HG2 VAL 24 7.481 4.349 3.941 174 H LEU 25 HN LEU 25 3.802 4.675 1.342 175 HA LEU 25 HA LEU 25 2.964 2.852 -0.574 176 1HB LEU 25 2HB LEU 25 1.453 4.985 0.938 177 2HB LEU 25 3HB LEU 25 0.690 3.743 -0.036 178 HG LEU 25 HG LEU 25 2.527 2.528 1.838 179 1HD1 LEU 25 1HD1 LEU 25 2.158 3.525 3.790 180 2HD1 LEU 25 2HD1 LEU 25 1.430 4.871 2.881 181 3HD1 LEU 25 3HD1 LEU 25 0.400 3.567 3.517 182 1HD2 LEU 25 1HD2 LEU 25 0.885 1.150 0.954 183 2HD2 LEU 25 2HD2 LEU 25 0.273 1.493 2.590 184 3HD2 LEU 25 3HD2 LEU 25 -0.404 2.356 1.189 185 H GLU 26 HN GLU 26 3.457 3.149 -2.709 186 HA GLU 26 HA GLU 26 2.486 5.657 -3.837 187 1HB GLU 26 2HB GLU 26 4.964 4.103 -4.706 188 2HB GLU 26 3HB GLU 26 4.347 5.541 -5.494 189 1HG GLU 26 2HG GLU 26 4.670 5.945 -2.594 190 2HG GLU 26 3HG GLU 26 6.174 5.460 -3.351 191 H MET 27 HN MET 27 2.805 5.046 -6.566 192 HA MET 27 HA MET 27 0.787 2.993 -6.802 193 1HB MET 27 2HB MET 27 0.531 3.942 -9.116 194 2HB MET 27 3HB MET 27 0.409 5.196 -7.898 195 1HG MET 27 2HG MET 27 2.137 6.310 -8.858 196 2HG MET 27 3HG MET 27 3.197 4.947 -8.555 197 1HE MET 27 1HE MET 27 4.590 5.509 -10.896 198 2HE MET 27 2HE MET 27 3.684 5.993 -12.349 199 3HE MET 27 3HE MET 27 3.513 6.926 -10.843 200 H VAL 28 HN VAL 28 1.065 1.049 -7.916 201 HA VAL 28 HA VAL 28 3.709 0.651 -9.130 202 HB VAL 28 HB VAL 28 4.052 -1.306 -8.018 203 1HG1 VAL 28 1HG1 VAL 28 3.793 -0.935 -5.702 204 2HG1 VAL 28 2HG1 VAL 28 3.826 0.691 -6.424 205 3HG1 VAL 28 3HG1 VAL 28 2.277 -0.030 -5.926 206 1HG2 VAL 28 1HG2 VAL 28 1.867 -2.288 -6.711 207 2HG2 VAL 28 2HG2 VAL 28 1.109 -1.565 -8.150 208 3HG2 VAL 28 3HG2 VAL 28 2.382 -2.794 -8.337 209 HA PRO 29 HA PRO 29 1.563 -1.142 -12.432 210 1HB PRO 29 2HB PRO 29 2.980 -3.373 -13.126 211 2HB PRO 29 3HB PRO 29 3.482 -1.749 -13.551 212 1HG PRO 29 2HG PRO 29 4.578 -3.543 -11.473 213 2HG PRO 29 3HG PRO 29 5.309 -2.124 -12.195 214 1HD PRO 29 2HD PRO 29 4.102 -2.300 -9.600 215 2HD PRO 29 3HD PRO 29 4.729 -0.855 -10.368 216 H TRP 30 HN TRP 30 -0.499 -1.742 -12.244 217 HA TRP 30 HA TRP 30 -0.855 -4.486 -11.284 218 1HB TRP 30 2HB TRP 30 -1.283 -3.027 -9.384 219 2HB TRP 30 3HB TRP 30 -2.409 -2.074 -10.330 220 HD1 TRP 30 HD1 TRP 30 -4.875 -2.729 -9.810 221 HE1 TRP 30 HE1 TRP 30 -6.253 -4.850 -9.060 222 HE3 TRP 30 HE3 TRP 30 -0.909 -5.907 -9.677 223 HZ2 TRP 30 HZ2 TRP 30 -5.546 -7.559 -8.508 224 HZ3 TRP 30 HZ3 TRP 30 -1.339 -8.275 -9.021 225 HH2 TRP 30 HH2 TRP 30 -3.562 -9.115 -8.449 226 H ASP 31 HN ASP 31 -3.340 -5.067 -11.794 227 HA ASP 31 HA ASP 31 -4.130 -3.728 -14.236 228 1HB ASP 31 2HB ASP 31 -2.709 -5.956 -14.544 229 2HB ASP 31 3HB ASP 31 -4.200 -6.755 -14.087 230 H GLY 32 HN GLY 32 -5.535 -3.093 -12.111 231 1HA GLY 32 1HA GLY 32 -8.007 -4.603 -12.319 232 2HA GLY 32 2HA GLY 32 -7.236 -4.640 -10.745 233 H CYS 33 HN CYS 33 -6.018 -1.894 -11.103 234 HA CYS 33 HA CYS 33 -8.250 -0.458 -10.087 235 1HB CYS 33 2HB CYS 33 -5.480 -0.283 -9.819 236 2HB CYS 33 3HB CYS 33 -5.897 1.158 -10.727 237 HG CYS 33 HG CYS 33 -7.140 2.372 -9.065 238 H LYS 34 HN LYS 34 -8.427 1.989 -11.047 239 HA LYS 34 HA LYS 34 -9.444 1.661 -13.660 240 1HB LYS 34 2HB LYS 34 -9.915 3.371 -11.588 241 2HB LYS 34 3HB LYS 34 -8.977 4.404 -12.648 242 1HG LYS 34 2HG LYS 34 -11.114 2.755 -13.959 243 2HG LYS 34 3HG LYS 34 -11.668 4.045 -12.911 244 1HD LYS 34 2HD LYS 34 -11.148 5.618 -14.460 245 2HD LYS 34 3HD LYS 34 -9.498 5.039 -14.571 246 1HE LYS 34 2HE LYS 34 -9.969 3.595 -16.366 247 2HE LYS 34 3HE LYS 34 -11.657 3.419 -15.926 248 1HZ LYS 34 1HZ LYS 34 -12.143 5.077 -17.264 249 2HZ LYS 34 2HZ LYS 34 -11.124 6.099 -16.500 250 3HZ LYS 34 3HZ LYS 34 -10.583 5.182 -17.738 251 H ALA 35 HN ALA 35 -6.330 2.633 -12.302 252 HA ALA 35 HA ALA 35 -5.447 3.297 -15.028 253 1HB ALA 35 1HB ALA 35 -3.536 4.273 -13.247 254 2HB ALA 35 2HB ALA 35 -4.798 5.230 -14.059 255 3HB ALA 35 3HB ALA 35 -5.079 4.593 -12.421 256 H GLY 36 HN GLY 36 -5.787 0.598 -13.782 257 1HA GLY 36 1HA GLY 36 -4.604 -1.280 -13.317 258 2HA GLY 36 2HA GLY 36 -3.681 -0.768 -14.716 259 H GLN 37 HN GLN 37 -3.943 0.508 -11.318 260 HA GLN 37 HA GLN 37 -1.205 -0.237 -10.886 261 1HB GLN 37 2HB GLN 37 -0.619 2.125 -10.134 262 2HB GLN 37 3HB GLN 37 -0.795 1.913 -11.864 263 1HG GLN 37 2HG GLN 37 -2.321 3.591 -11.849 264 2HG GLN 37 3HG GLN 37 -3.406 2.528 -10.975 265 1HE2 GLN 37 1HE2 GLN 37 -3.943 2.967 -8.949 266 2HE2 GLN 37 2HE2 GLN 37 -3.268 4.217 -7.957 267 H ILE 38 HN ILE 38 -1.091 -1.079 -8.849 268 HA ILE 38 HA ILE 38 -3.241 -0.359 -7.008 269 HB ILE 38 HB ILE 38 -2.460 -2.776 -7.787 270 1HG1 ILE 38 2HG1 ILE 38 -3.092 -3.057 -5.013 271 2HG1 ILE 38 3HG1 ILE 38 -3.970 -1.670 -5.626 272 1HG2 ILE 38 1HG2 ILE 38 -0.841 -3.812 -6.519 273 2HG2 ILE 38 2HG2 ILE 38 -0.140 -2.189 -6.733 274 3HG2 ILE 38 3HG2 ILE 38 -0.945 -2.617 -5.204 275 1HD1 ILE 38 1HD1 ILE 38 -4.873 -4.217 -5.887 276 2HD1 ILE 38 2HD1 ILE 38 -5.260 -2.936 -7.061 277 3HD1 ILE 38 3HD1 ILE 38 -3.942 -4.084 -7.398 278 H ALA 39 HN ALA 39 -2.881 0.770 -5.141 279 HA ALA 39 HA ALA 39 -0.409 2.111 -4.875 280 1HB ALA 39 1HB ALA 39 -1.481 2.997 -2.798 281 2HB ALA 39 2HB ALA 39 -2.527 3.134 -4.231 282 3HB ALA 39 3HB ALA 39 -2.820 1.849 -3.036 283 H SER 40 HN SER 40 1.386 0.857 -4.461 284 HA SER 40 HA SER 40 1.236 -0.658 -1.984 285 1HB SER 40 2HB SER 40 2.194 -1.597 -4.691 286 2HB SER 40 3HB SER 40 2.973 -2.230 -3.255 287 HG SER 40 HG SER 40 1.164 -3.551 -3.963 288 H SER 41 HN SER 41 3.865 -1.460 -1.712 289 HA SER 41 HA SER 41 5.305 1.065 -1.972 290 1HB SER 41 2HB SER 41 6.590 0.019 0.118 291 2HB SER 41 3HB SER 41 5.107 0.930 0.330 292 HG SER 41 HG SER 41 4.963 -1.903 -0.104 293 HA PRO 42 HA PRO 42 7.684 -2.003 -4.244 294 1HB PRO 42 2HB PRO 42 8.439 -0.371 -6.301 295 2HB PRO 42 3HB PRO 42 6.998 -1.366 -6.347 296 1HG PRO 42 2HG PRO 42 7.223 1.554 -5.948 297 2HG PRO 42 3HG PRO 42 5.819 0.616 -6.417 298 1HD PRO 42 2HD PRO 42 6.357 1.721 -3.825 299 2HD PRO 42 3HD PRO 42 5.013 0.686 -4.265 300 H ARG 43 HN ARG 43 8.861 1.331 -4.385 301 HA ARG 43 HA ARG 43 11.436 0.291 -3.647 302 1HB ARG 43 2HB ARG 43 10.628 3.178 -4.256 303 2HB ARG 43 3HB ARG 43 12.264 2.553 -4.195 304 1HG ARG 43 2HG ARG 43 10.181 1.447 -6.126 305 2HG ARG 43 3HG ARG 43 11.202 2.811 -6.539 306 1HD ARG 43 2HD ARG 43 12.689 1.238 -7.278 307 2HD ARG 43 3HD ARG 43 13.080 1.013 -5.585 308 HE ARG 43 HE ARG 43 11.831 -1.001 -5.557 309 1HH1 ARG 43 1HH1 ARG 43 10.330 -2.645 -8.245 310 2HH1 ARG 43 2HH1 ARG 43 10.842 -2.781 -6.596 311 1HH2 ARG 43 1HH2 ARG 43 10.647 -0.656 -9.398 312 2HH2 ARG 43 2HH2 ARG 43 11.396 0.692 -8.612 313 H THR 44 HN THR 44 10.879 -0.298 -1.402 314 HA THR 44 HA THR 44 10.094 1.875 0.357 315 HB THR 44 HB THR 44 10.680 -1.093 0.844 316 HG1 THR 44 1HG THR 44 8.727 -1.121 -0.208 317 1HG2 THR 44 1HG2 THR 44 8.710 0.068 2.600 318 2HG2 THR 44 2HG2 THR 44 10.280 -0.644 3.047 319 3HG2 THR 44 3HG2 THR 44 10.164 1.092 2.674 320 H GLU 45 HN GLU 45 12.792 1.687 -1.156 321 HA GLU 45 HA GLU 45 14.803 1.100 0.566 322 1HB GLU 45 2HB GLU 45 16.211 2.467 -0.831 323 2HB GLU 45 3HB GLU 45 14.986 1.767 -1.872 324 1HG GLU 45 2HG GLU 45 13.711 3.833 -1.916 325 2HG GLU 45 3HG GLU 45 14.668 4.530 -0.623 326 H ASP 46 HN ASP 46 12.565 3.841 0.587 327 HA ASP 46 HA ASP 46 14.138 5.003 2.747 328 1HB ASP 46 2HB ASP 46 12.258 6.148 0.677 329 2HB ASP 46 3HB ASP 46 12.385 6.969 2.220 330 H CYS 47 HN CYS 47 13.281 4.245 4.700 331 HA CYS 47 HA CYS 47 10.910 4.963 5.703 332 1HB CYS 47 2HB CYS 47 9.514 3.869 4.189 333 2HB CYS 47 3HB CYS 47 10.559 2.469 4.058 334 H VAL 48 HN VAL 48 12.332 5.033 7.522 335 HA VAL 48 HA VAL 48 13.664 2.613 8.334 336 HB VAL 48 HB VAL 48 14.681 4.860 8.497 337 1HG1 VAL 48 1HG1 VAL 48 12.322 5.794 9.341 338 2HG1 VAL 48 2HG1 VAL 48 13.071 5.499 10.928 339 3HG1 VAL 48 3HG1 VAL 48 13.863 6.582 9.759 340 1HG2 VAL 48 1HG2 VAL 48 15.766 3.344 9.867 341 2HG2 VAL 48 2HG2 VAL 48 15.290 4.598 11.037 342 3HG2 VAL 48 3HG2 VAL 48 14.343 3.097 10.906 343 H GLY 49 HN GLY 49 11.082 1.886 8.178 344 1HA GLY 49 1HA GLY 49 9.212 1.288 9.318 345 2HA GLY 49 2HA GLY 49 10.391 0.744 10.495 346 H CYS 50 HN CYS 50 8.562 3.694 9.452 347 HA CYS 50 HA CYS 50 8.874 4.770 12.127 348 1HB CYS 50 2HB CYS 50 8.535 6.823 11.234 349 2HB CYS 50 3HB CYS 50 8.996 6.024 9.744 350 H LYS 51 HN LYS 51 7.187 2.311 11.192 351 HA LYS 51 HA LYS 51 5.271 1.380 11.770 352 1HB LYS 51 2HB LYS 51 5.222 3.762 13.609 353 2HB LYS 51 3HB LYS 51 3.841 2.687 13.523 354 1HG LYS 51 2HG LYS 51 5.206 1.798 15.274 355 2HG LYS 51 3HG LYS 51 5.480 0.737 13.906 356 1HD LYS 51 2HD LYS 51 7.630 1.639 13.460 357 2HD LYS 51 3HD LYS 51 7.294 3.129 14.321 358 1HE LYS 51 2HE LYS 51 7.008 1.419 16.399 359 2HE LYS 51 3HE LYS 51 8.076 0.437 15.418 360 1HZ LYS 51 1HZ LYS 51 8.687 2.730 16.910 361 2HZ LYS 51 2HZ LYS 51 9.705 1.685 16.176 362 3HZ LYS 51 3HZ LYS 51 9.115 2.964 15.351 363 H ARG 52 HN ARG 52 3.383 4.210 12.393 364 HA ARG 52 HA ARG 52 1.563 4.859 11.359 365 1HB ARG 52 2HB ARG 52 3.868 5.915 10.142 366 2HB ARG 52 3HB ARG 52 2.887 5.431 8.773 367 1HG ARG 52 2HG ARG 52 1.383 7.110 9.117 368 2HG ARG 52 3HG ARG 52 1.267 6.769 10.833 369 1HD ARG 52 2HD ARG 52 3.299 8.063 11.296 370 2HD ARG 52 3HD ARG 52 3.627 8.256 9.586 371 HE ARG 52 HE ARG 52 1.112 9.343 9.810 372 1HH1 ARG 52 1HH1 ARG 52 1.743 12.458 11.251 373 2HH1 ARG 52 2HH1 ARG 52 0.627 11.518 10.316 374 1HH2 ARG 52 1HH2 ARG 52 3.728 11.508 11.989 375 2HH2 ARG 52 2HH2 ARG 52 4.095 9.859 11.604 376 H CYS 53 HN CYS 53 1.024 4.973 8.431 377 HA CYS 53 HA CYS 53 -0.251 3.742 7.092 378 1HB CYS 53 2HB CYS 53 1.046 1.878 5.957 379 2HB CYS 53 3HB CYS 53 1.793 3.464 5.938 380 H GLU 54 HN GLU 54 -1.296 3.278 9.503 381 HA GLU 54 HA GLU 54 -1.300 0.386 9.839 382 1HB GLU 54 2HB GLU 54 -2.175 0.813 12.104 383 2HB GLU 54 3HB GLU 54 -0.674 1.680 11.849 384 1HG GLU 54 2HG GLU 54 -1.690 3.674 12.225 385 2HG GLU 54 3HG GLU 54 -2.885 3.354 10.984 386 H THR 55 HN THR 55 -2.684 1.390 7.608 387 HA THR 55 HA THR 55 -5.470 0.989 8.472 388 HB THR 55 HB THR 55 -4.689 3.418 7.769 389 HG1 THR 55 1HG THR 55 -6.823 1.998 6.339 390 1HG2 THR 55 1HG2 THR 55 -4.972 3.780 5.311 391 2HG2 THR 55 2HG2 THR 55 -3.550 2.762 5.637 392 3HG2 THR 55 3HG2 THR 55 -5.063 2.020 5.066 393 H ALA 56 HN ALA 56 -3.146 0.855 5.698 394 HA ALA 56 HA ALA 56 -3.166 -0.434 3.877 395 1HB ALA 56 1HB ALA 56 -3.291 -2.901 4.452 396 2HB ALA 56 2HB ALA 56 -2.162 -1.953 5.450 397 3HB ALA 56 3HB ALA 56 -3.750 -2.420 6.104 398 H CYS 57 HN CYS 57 -5.524 -2.662 5.303 399 HA CYS 57 HA CYS 57 -7.754 -1.423 4.032 400 1HB CYS 57 2HB CYS 57 -6.199 -3.139 2.409 401 2HB CYS 57 3HB CYS 57 -7.614 -4.068 2.864 402 HA PRO 58 HA PRO 58 -9.680 -3.973 6.993 403 1HB PRO 58 2HB PRO 58 -12.166 -4.430 5.955 404 2HB PRO 58 3HB PRO 58 -11.716 -2.929 6.741 405 1HG PRO 58 2HG PRO 58 -12.068 -3.479 3.857 406 2HG PRO 58 3HG PRO 58 -12.041 -1.935 4.685 407 1HD PRO 58 2HD PRO 58 -9.925 -3.082 3.126 408 2HD PRO 58 3HD PRO 58 -9.859 -1.593 4.048 409 H THR 59 HN THR 59 -7.837 -5.451 5.758 410 HA THR 59 HA THR 59 -7.280 -7.575 5.406 411 HB THR 59 HB THR 59 -10.087 -8.155 6.490 412 HG1 THR 59 1HG THR 59 -8.262 -6.823 7.655 413 1HG2 THR 59 1HG2 THR 59 -7.746 -9.860 5.760 414 2HG2 THR 59 2HG2 THR 59 -8.370 -10.118 7.407 415 3HG2 THR 59 3HG2 THR 59 -9.447 -10.324 6.003 416 H ASP 60 HN ASP 60 -9.413 -5.866 3.613 417 HA ASP 60 HA ASP 60 -10.847 -7.400 2.049 418 1HB ASP 60 2HB ASP 60 -9.349 -4.938 1.727 419 2HB ASP 60 3HB ASP 60 -9.254 -5.842 0.230 420 H PHE 61 HN PHE 61 -7.292 -7.361 2.291 421 HA PHE 61 HA PHE 61 -7.195 -9.738 0.629 422 1HB PHE 61 2HB PHE 61 -5.695 -7.090 0.230 423 2HB PHE 61 3HB PHE 61 -5.081 -8.585 -0.447 424 HD1 PHE 61 1HD PHE 61 -7.530 -5.941 -0.777 425 HD2 PHE 61 2HD PHE 61 -6.380 -9.768 -2.206 426 HE1 PHE 61 1HE PHE 61 -8.980 -5.621 -2.801 427 HE2 PHE 61 2HE PHE 61 -7.830 -9.448 -4.230 428 HZ PHE 61 HZ PHE 61 -9.113 -7.379 -4.503 429 H LEU 62 HN LEU 62 -5.432 -7.331 2.677 430 HA LEU 62 HA LEU 62 -3.195 -8.793 3.241 431 1HB LEU 62 2HB LEU 62 -4.704 -7.049 5.189 432 2HB LEU 62 3HB LEU 62 -2.999 -7.451 5.232 433 HG LEU 62 HG LEU 62 -3.229 -6.316 2.740 434 1HD1 LEU 62 1HD1 LEU 62 -4.717 -4.310 4.327 435 2HD1 LEU 62 2HD1 LEU 62 -4.790 -4.698 2.592 436 3HD1 LEU 62 3HD1 LEU 62 -5.655 -5.715 3.768 437 1HD2 LEU 62 1HD2 LEU 62 -1.548 -5.945 4.605 438 2HD2 LEU 62 2HD2 LEU 62 -1.960 -4.526 3.611 439 3HD2 LEU 62 3HD2 LEU 62 -2.664 -4.710 5.236 440 H SER 63 HN SER 63 -2.828 -9.572 5.753 441 HA SER 63 HA SER 63 -3.421 -10.931 7.396 442 1HB SER 63 2HB SER 63 -5.597 -11.631 7.803 443 2HB SER 63 3HB SER 63 -5.908 -10.268 6.747 444 HG SER 63 HG SER 63 -6.969 -12.480 6.294 445 H ILE 64 HN ILE 64 -2.024 -11.456 4.789 446 HA ILE 64 HA ILE 64 -2.453 -14.359 4.648 447 HB ILE 64 HB ILE 64 -3.015 -13.203 2.586 448 1HG1 ILE 64 2HG1 ILE 64 -0.411 -14.676 2.158 449 2HG1 ILE 64 3HG1 ILE 64 -1.866 -15.497 2.686 450 1HG2 ILE 64 1HG2 ILE 64 -1.070 -12.177 1.274 451 2HG2 ILE 64 2HG2 ILE 64 -1.771 -11.217 2.600 452 3HG2 ILE 64 3HG2 ILE 64 -0.229 -12.073 2.839 453 1HD1 ILE 64 1HD1 ILE 64 -3.082 -14.792 0.690 454 2HD1 ILE 64 2HD1 ILE 64 -1.733 -13.743 0.192 455 3HD1 ILE 64 3HD1 ILE 64 -1.537 -15.512 0.180 456 H ARG 65 HN ARG 65 -0.138 -11.655 4.982 457 HA ARG 65 HA ARG 65 1.873 -13.668 5.595 458 1HB ARG 65 2HB ARG 65 2.554 -12.301 3.678 459 2HB ARG 65 3HB ARG 65 2.166 -10.819 4.529 460 1HG ARG 65 2HG ARG 65 4.119 -10.840 5.751 461 2HG ARG 65 3HG ARG 65 4.095 -12.580 5.961 462 1HD ARG 65 2HD ARG 65 4.641 -12.634 3.361 463 2HD ARG 65 3HD ARG 65 5.150 -10.976 3.614 464 HE ARG 65 HE ARG 65 6.350 -12.515 5.669 465 1HH1 ARG 65 1HH1 ARG 65 9.286 -13.370 3.989 466 2HH1 ARG 65 2HH1 ARG 65 8.514 -13.236 5.533 467 1HH2 ARG 65 1HH2 ARG 65 8.122 -12.820 2.058 468 2HH2 ARG 65 2HH2 ARG 65 6.482 -12.274 2.162 469 H VAL 66 HN VAL 66 0.403 -10.498 6.487 470 HA VAL 66 HA VAL 66 0.272 -9.407 8.403 471 HB VAL 66 HB VAL 66 1.016 -12.107 9.538 472 1HG1 VAL 66 1HG1 VAL 66 1.200 -9.712 10.900 473 2HG1 VAL 66 2HG1 VAL 66 -0.445 -10.264 11.297 474 3HG1 VAL 66 3HG1 VAL 66 0.953 -11.313 11.638 475 1HG2 VAL 66 1HG2 VAL 66 -1.644 -10.695 9.166 476 2HG2 VAL 66 2HG2 VAL 66 -1.077 -12.160 8.331 477 3HG2 VAL 66 3HG2 VAL 66 -1.419 -12.208 10.076 478 H TYR 67 HN TYR 67 1.586 -7.947 9.476 479 HA TYR 67 HA TYR 67 4.378 -8.672 9.868 480 1HB TYR 67 2HB TYR 67 3.194 -6.950 7.773 481 2HB TYR 67 3HB TYR 67 4.250 -6.001 8.799 482 HD1 TYR 67 HD1 TYR 67 4.073 -8.573 6.227 483 HD2 TYR 67 HD2 TYR 67 6.675 -6.577 8.974 484 HE1 TYR 67 HE1 TYR 67 6.095 -9.423 4.941 485 HE2 TYR 67 HE2 TYR 67 8.687 -7.435 7.680 486 HH TYR 67 HH TYR 67 8.249 -9.320 4.707 487 H LEU 68 HN LEU 68 2.411 -5.618 9.813 488 HA LEU 68 HA LEU 68 3.512 -4.361 11.900 489 1HB LEU 68 2HB LEU 68 0.932 -4.349 10.557 490 2HB LEU 68 3HB LEU 68 0.794 -3.875 12.238 491 HG LEU 68 HG LEU 68 1.069 -1.892 10.964 492 1HD1 LEU 68 1HD1 LEU 68 2.327 -1.104 12.611 493 2HD1 LEU 68 2HD1 LEU 68 3.040 -2.710 12.890 494 3HD1 LEU 68 3HD1 LEU 68 3.777 -1.602 11.708 495 1HD2 LEU 68 1HD2 LEU 68 2.049 -1.922 8.976 496 2HD2 LEU 68 2HD2 LEU 68 3.632 -2.064 9.776 497 3HD2 LEU 68 3HD2 LEU 68 2.740 -3.530 9.304 498 H GLY 69 HN GLY 69 3.149 -4.198 14.194 499 1HA GLY 69 1HA GLY 69 2.823 -5.020 16.260 500 2HA GLY 69 2HA GLY 69 1.450 -5.909 15.631 501 H ALA 70 HN ALA 70 5.042 -6.059 15.042 502 HA ALA 70 HA ALA 70 5.000 -8.800 16.041 503 1HB ALA 70 1HB ALA 70 6.267 -8.063 13.379 504 2HB ALA 70 2HB ALA 70 6.037 -9.685 14.073 505 3HB ALA 70 3HB ALA 70 4.630 -8.748 13.515 506 H GLU 71 HN GLU 71 6.970 -6.093 14.639 507 HA GLU 71 HA GLU 71 8.515 -5.862 16.919 508 1HB GLU 71 2HB GLU 71 9.464 -8.047 16.258 509 2HB GLU 71 3HB GLU 71 9.856 -7.424 14.668 510 1HG GLU 71 2HG GLU 71 11.717 -6.311 15.419 511 2HG GLU 71 3HG GLU 71 10.920 -5.751 16.876 512 H THR 72 HN THR 72 9.710 -5.905 13.502 513 HA THR 72 HA THR 72 10.756 -4.210 12.415 514 HB THR 72 HB THR 72 8.861 -2.452 11.851 515 HG1 THR 72 1HG THR 72 7.646 -2.918 13.812 516 1HG2 THR 72 1HG2 THR 72 9.051 -4.170 10.217 517 2HG2 THR 72 2HG2 THR 72 8.722 -5.456 11.403 518 3HG2 THR 72 3HG2 THR 72 7.399 -4.411 10.834 519 H THR 73 HN THR 73 11.481 -4.093 15.151 520 HA THR 73 HA THR 73 11.571 -1.170 15.526 521 HB THR 73 HB THR 73 11.422 -3.487 17.516 522 HG1 THR 73 1HG THR 73 9.605 -1.886 18.121 523 1HG2 THR 73 1HG2 THR 73 11.405 -0.621 18.415 524 2HG2 THR 73 2HG2 THR 73 11.995 -2.067 19.267 525 3HG2 THR 73 3HG2 THR 73 12.996 -1.306 18.008 526 H ARG 74 HN ARG 74 13.364 -4.281 15.972 527 HA ARG 74 HA ARG 74 15.759 -2.688 15.530 528 1HB ARG 74 2HB ARG 74 16.928 -4.447 17.032 529 2HB ARG 74 3HB ARG 74 15.899 -3.285 17.845 530 1HG ARG 74 2HG ARG 74 14.835 -5.987 16.933 531 2HG ARG 74 3HG ARG 74 15.622 -5.790 18.485 532 1HD ARG 74 2HD ARG 74 13.653 -3.671 18.123 533 2HD ARG 74 3HD ARG 74 12.897 -5.225 17.835 534 HE ARG 74 HE ARG 74 13.315 -5.854 20.089 535 1HH1 ARG 74 1HH1 ARG 74 14.478 -3.829 22.682 536 2HH1 ARG 74 2HH1 ARG 74 13.715 -5.330 22.277 537 1HH2 ARG 74 1HH2 ARG 74 15.093 -2.350 21.002 538 2HH2 ARG 74 2HH2 ARG 74 14.790 -2.748 19.344 539 H SER 75 HN SER 75 14.001 -5.798 15.209 540 HA SER 75 HA SER 75 16.081 -6.789 13.464 541 1HB SER 75 2HB SER 75 14.452 -8.032 15.333 542 2HB SER 75 3HB SER 75 13.633 -8.426 13.834 543 HG SER 75 HG SER 75 16.415 -8.932 14.469 544 H MET 76 HN MET 76 14.337 -4.456 12.742 545 HA MET 76 HA MET 76 12.218 -4.848 11.252 546 1HB MET 76 2HB MET 76 14.645 -3.106 11.021 547 2HB MET 76 3HB MET 76 13.688 -3.202 9.556 548 1HG MET 76 2HG MET 76 11.661 -2.810 11.311 549 2HG MET 76 3HG MET 76 12.943 -2.059 12.241 550 1HE MET 76 1HE MET 76 10.288 -1.011 9.419 551 2HE MET 76 2HE MET 76 11.461 -1.003 8.080 552 3HE MET 76 3HE MET 76 11.211 -2.483 9.036 553 H GLY 77 HN GLY 77 15.571 -5.721 10.264 554 1HA GLY 77 1HA GLY 77 15.816 -7.729 8.952 555 2HA GLY 77 2HA GLY 77 14.401 -7.262 8.029 556 H LEU 78 HN LEU 78 16.878 -4.909 9.091 557 HA LEU 78 HA LEU 78 17.467 -4.431 6.271 558 1HB LEU 78 2HB LEU 78 18.291 -2.653 8.539 559 2HB LEU 78 3HB LEU 78 18.034 -2.253 6.852 560 HG LEU 78 HG LEU 78 16.032 -2.601 9.054 561 1HD1 LEU 78 1HD1 LEU 78 17.106 -0.437 7.608 562 2HD1 LEU 78 2HD1 LEU 78 15.423 -0.616 7.057 563 3HD1 LEU 78 3HD1 LEU 78 15.774 -0.414 8.790 564 1HD2 LEU 78 1HD2 LEU 78 14.931 -4.043 7.658 565 2HD2 LEU 78 2HD2 LEU 78 14.304 -2.486 7.067 566 3HD2 LEU 78 3HD2 LEU 78 15.606 -3.316 6.181 567 H ALA 79 HN ALA 79 19.085 -4.849 9.488 568 HA ALA 79 HA ALA 79 21.282 -6.143 8.084 569 1HB ALA 79 1HB ALA 79 22.210 -3.989 8.133 570 2HB ALA 79 2HB ALA 79 21.456 -3.591 9.696 571 3HB ALA 79 3HB ALA 79 22.834 -4.718 9.632 572 H TYR 80 HN TYR 80 19.911 -5.019 11.251 573 HA TYR 80 HA TYR 80 20.669 -7.651 12.330 574 1HB TYR 80 2HB TYR 80 20.488 -6.085 14.523 575 2HB TYR 80 3HB TYR 80 21.956 -6.070 13.566 576 HD1 TYR 80 HD1 TYR 80 22.835 -3.922 13.560 577 HD2 TYR 80 HD2 TYR 80 18.615 -4.425 13.066 578 HE1 TYR 80 HE1 TYR 80 22.570 -1.418 13.205 579 HE2 TYR 80 HE2 TYR 80 18.364 -1.920 12.713 580 HH TYR 80 HH TYR 80 20.173 -0.044 11.787 Start of MODEL 12 1 H SER 1 HN SER 1 -6.893 -2.180 10.465 2 HA SER 1 HA SER 1 -6.044 -4.725 9.591 3 1HB SER 1 2HB SER 1 -5.640 -3.672 7.491 4 2HB SER 1 3HB SER 1 -7.026 -2.835 8.164 5 HG SER 1 HG SER 1 -4.624 -1.800 7.418 6 H HIS 2 HN HIS 2 -4.140 -5.660 10.238 7 HA HIS 2 HA HIS 2 -1.962 -3.871 10.973 8 1HB HIS 2 2HB HIS 2 -2.375 -6.826 11.508 9 2HB HIS 2 3HB HIS 2 -0.993 -5.889 12.041 10 HD1 HIS 2 HD1 HIS 2 -1.227 -4.567 14.199 11 HD2 HIS 2 HD2 HIS 2 -4.889 -6.037 12.776 12 HE1 HIS 2 HE1 HIS 2 -2.937 -4.129 16.041 13 H SER 3 HN SER 3 0.273 -5.420 10.558 14 HA SER 3 HA SER 3 1.734 -5.974 9.054 15 1HB SER 3 2HB SER 3 1.200 -7.628 7.443 16 2HB SER 3 3HB SER 3 0.011 -7.866 8.708 17 HG SER 3 HG SER 3 -1.532 -7.473 7.289 18 H VAL 4 HN VAL 4 2.549 -5.507 6.737 19 HA VAL 4 HA VAL 4 1.034 -3.584 5.244 20 HB VAL 4 HB VAL 4 1.975 -2.233 7.090 21 1HG1 VAL 4 1HG1 VAL 4 4.710 -2.767 5.911 22 2HG1 VAL 4 2HG1 VAL 4 4.296 -1.925 7.423 23 3HG1 VAL 4 3HG1 VAL 4 4.069 -3.686 7.295 24 1HG2 VAL 4 1HG2 VAL 4 3.544 -0.946 5.117 25 2HG2 VAL 4 2HG2 VAL 4 2.223 -1.772 4.255 26 3HG2 VAL 4 3HG2 VAL 4 1.851 -0.617 5.558 27 H LYS 5 HN LYS 5 1.841 -6.169 4.597 28 HA LYS 5 HA LYS 5 4.380 -6.096 3.288 29 1HB LYS 5 2HB LYS 5 3.508 -8.157 4.264 30 2HB LYS 5 3HB LYS 5 2.111 -8.107 3.208 31 1HG LYS 5 2HG LYS 5 3.680 -9.629 2.190 32 2HG LYS 5 3HG LYS 5 3.700 -8.171 1.217 33 1HD LYS 5 2HD LYS 5 5.833 -7.542 1.932 34 2HD LYS 5 3HD LYS 5 5.660 -8.316 3.495 35 1HE LYS 5 2HE LYS 5 6.766 -10.135 2.720 36 2HE LYS 5 3HE LYS 5 5.500 -10.405 1.538 37 1HZ LYS 5 1HZ LYS 5 7.193 -10.019 0.148 38 2HZ LYS 5 2HZ LYS 5 6.811 -8.448 0.377 39 3HZ LYS 5 3HZ LYS 5 8.051 -9.116 1.204 40 H ILE 6 HN ILE 6 4.715 -6.286 0.955 41 HA ILE 6 HA ILE 6 3.042 -4.447 -0.439 42 HB ILE 6 HB ILE 6 5.234 -6.153 -1.599 43 1HG1 ILE 6 2HG1 ILE 6 6.263 -5.288 0.338 44 2HG1 ILE 6 3HG1 ILE 6 6.760 -4.239 -0.975 45 1HG2 ILE 6 1HG2 ILE 6 4.613 -3.299 -2.301 46 2HG2 ILE 6 2HG2 ILE 6 5.399 -4.567 -3.273 47 3HG2 ILE 6 3HG2 ILE 6 3.644 -4.628 -2.983 48 1HD1 ILE 6 1HD1 ILE 6 4.412 -3.015 -0.121 49 2HD1 ILE 6 2HD1 ILE 6 5.112 -3.623 1.399 50 3HD1 ILE 6 3HD1 ILE 6 6.057 -2.531 0.360 51 H TYR 7 HN TYR 7 1.348 -4.843 -1.787 52 HA TYR 7 HA TYR 7 1.070 -7.288 -3.184 53 1HB TYR 7 2HB TYR 7 -0.375 -6.709 -0.554 54 2HB TYR 7 3HB TYR 7 -1.235 -7.607 -1.789 55 HD1 TYR 7 HD1 TYR 7 0.666 -9.441 -2.917 56 HD2 TYR 7 HD2 TYR 7 0.316 -8.131 1.140 57 HE1 TYR 7 HE1 TYR 7 1.775 -11.586 -2.122 58 HE2 TYR 7 HE2 TYR 7 1.425 -10.280 1.923 59 HH TYR 7 HH TYR 7 3.207 -12.000 0.517 60 H ASP 8 HN ASP 8 -1.284 -7.395 -4.166 61 HA ASP 8 HA ASP 8 -1.744 -4.756 -5.171 62 1HB ASP 8 2HB ASP 8 -3.462 -6.013 -6.615 63 2HB ASP 8 3HB ASP 8 -1.783 -6.470 -6.831 64 H THR 9 HN THR 9 -2.394 -4.907 -2.421 65 HA THR 9 HA THR 9 -5.249 -5.427 -2.222 66 HB THR 9 HB THR 9 -3.689 -6.206 -0.443 67 HG1 THR 9 1HG THR 9 -5.945 -5.005 -0.190 68 1HG2 THR 9 1HG2 THR 9 -2.319 -3.819 -0.835 69 2HG2 THR 9 2HG2 THR 9 -3.279 -3.455 0.618 70 3HG2 THR 9 3HG2 THR 9 -2.162 -4.840 0.614 71 H CYS 10 HN CYS 10 -6.335 -3.893 -3.416 72 HA CYS 10 HA CYS 10 -6.478 -1.336 -2.163 73 1HB CYS 10 2HB CYS 10 -4.489 -1.179 -3.791 74 2HB CYS 10 3HB CYS 10 -5.673 -1.292 -5.078 75 H ILE 11 HN ILE 11 -8.292 -0.026 -3.287 76 HA ILE 11 HA ILE 11 -9.976 -1.583 -5.040 77 HB ILE 11 HB ILE 11 -11.929 -1.435 -3.572 78 1HG1 ILE 11 2HG1 ILE 11 -11.149 -1.161 -1.018 79 2HG1 ILE 11 3HG1 ILE 11 -9.978 -0.089 -1.762 80 1HG2 ILE 11 1HG2 ILE 11 -9.632 -2.947 -2.300 81 2HG2 ILE 11 2HG2 ILE 11 -11.368 -3.298 -2.134 82 3HG2 ILE 11 3HG2 ILE 11 -10.567 -3.494 -3.712 83 1HD1 ILE 11 1HD1 ILE 11 -12.987 0.131 -1.700 84 2HD1 ILE 11 2HD1 ILE 11 -11.757 1.385 -1.410 85 3HD1 ILE 11 3HD1 ILE 11 -12.104 0.845 -3.070 86 H GLY 12 HN GLY 12 -9.514 1.352 -2.988 87 1HA GLY 12 1HA GLY 12 -9.358 3.323 -4.660 88 2HA GLY 12 2HA GLY 12 -11.037 2.917 -4.956 89 H CYS 13 HN CYS 13 -9.176 2.781 -1.850 90 HA CYS 13 HA CYS 13 -11.176 4.614 -0.759 91 1HB CYS 13 2HB CYS 13 -11.189 3.431 1.166 92 2HB CYS 13 3HB CYS 13 -10.575 2.140 0.153 93 H THR 14 HN THR 14 -9.951 5.705 1.397 94 HA THR 14 HA THR 14 -7.463 6.862 0.320 95 HB THR 14 HB THR 14 -9.302 8.485 0.190 96 HG1 THR 14 1HG THR 14 -7.111 9.007 1.182 97 1HG2 THR 14 1HG2 THR 14 -10.077 7.249 2.740 98 2HG2 THR 14 2HG2 THR 14 -9.899 9.013 2.911 99 3HG2 THR 14 3HG2 THR 14 -11.018 8.344 1.698 100 H GLN 15 HN GLN 15 -6.221 5.213 1.384 101 HA GLN 15 HA GLN 15 -5.396 6.040 3.899 102 1HB GLN 15 2HB GLN 15 -6.363 4.601 5.414 103 2HB GLN 15 3HB GLN 15 -7.686 4.680 4.267 104 1HG GLN 15 2HG GLN 15 -6.853 2.617 3.142 105 2HG GLN 15 3HG GLN 15 -5.501 2.544 4.255 106 1HE2 GLN 15 1HE2 GLN 15 -6.354 0.414 4.706 107 2HE2 GLN 15 2HE2 GLN 15 -7.604 0.206 5.886 108 H CYS 16 HN CYS 16 -3.390 5.044 4.463 109 HA CYS 16 HA CYS 16 -1.706 3.578 4.298 110 1HB CYS 16 2HB CYS 16 -1.886 1.551 3.307 111 2HB CYS 16 3HB CYS 16 -3.584 1.973 3.216 112 H VAL 17 HN VAL 17 -3.141 4.747 1.175 113 HA VAL 17 HA VAL 17 -0.524 5.274 0.096 114 HB VAL 17 HB VAL 17 -3.209 6.086 -1.012 115 1HG1 VAL 17 1HG1 VAL 17 -2.120 6.041 -3.147 116 2HG1 VAL 17 2HG1 VAL 17 -1.099 6.993 -2.043 117 3HG1 VAL 17 3HG1 VAL 17 -0.651 5.318 -2.449 118 1HG2 VAL 17 1HG2 VAL 17 -1.855 3.382 -1.056 119 2HG2 VAL 17 2HG2 VAL 17 -3.525 3.785 -0.592 120 3HG2 VAL 17 3HG2 VAL 17 -3.030 3.876 -2.299 121 H ARG 18 HN ARG 18 -2.538 6.771 2.356 122 HA ARG 18 HA ARG 18 -1.460 9.367 1.595 123 1HB ARG 18 2HB ARG 18 -4.157 8.581 2.187 124 2HB ARG 18 3HB ARG 18 -3.628 9.573 3.531 125 1HG ARG 18 2HG ARG 18 -4.270 11.301 2.157 126 2HG ARG 18 3HG ARG 18 -2.667 11.089 1.483 127 1HD ARG 18 2HD ARG 18 -3.870 9.283 -0.067 128 2HD ARG 18 3HD ARG 18 -5.325 10.156 0.371 129 HE ARG 18 HE ARG 18 -4.587 12.016 -0.881 130 1HH1 ARG 18 1HH1 ARG 18 -1.691 12.368 -2.795 131 2HH1 ARG 18 2HH1 ARG 18 -3.245 13.037 -2.423 132 1HH2 ARG 18 1HH2 ARG 18 -0.971 10.438 -1.727 133 2HH2 ARG 18 2HH2 ARG 18 -1.989 9.664 -0.557 134 H ALA 19 HN ALA 19 -2.266 7.079 4.265 135 HA ALA 19 HA ALA 19 -1.066 8.699 6.279 136 1HB ALA 19 1HB ALA 19 -1.431 6.675 7.676 137 2HB ALA 19 2HB ALA 19 -2.891 7.134 6.767 138 3HB ALA 19 3HB ALA 19 -1.891 5.768 6.216 139 H CYS 20 HN CYS 20 1.020 9.174 5.252 140 HA CYS 20 HA CYS 20 3.017 7.450 6.163 141 1HB CYS 20 2HB CYS 20 2.493 5.992 4.317 142 2HB CYS 20 3HB CYS 20 2.496 7.325 3.178 143 HA PRO 21 HA PRO 21 4.549 11.548 5.657 144 1HB PRO 21 2HB PRO 21 6.737 11.308 7.277 145 2HB PRO 21 3HB PRO 21 5.139 11.709 7.877 146 1HG PRO 21 2HG PRO 21 6.601 9.146 8.065 147 2HG PRO 21 3HG PRO 21 5.223 9.695 8.999 148 1HD PRO 21 2HD PRO 21 5.190 7.806 6.841 149 2HD PRO 21 3HD PRO 21 3.800 8.444 7.699 150 H LEU 22 HN LEU 22 7.113 9.111 5.813 151 HA LEU 22 HA LEU 22 8.805 10.440 4.083 152 1HB LEU 22 2HB LEU 22 8.521 7.471 4.563 153 2HB LEU 22 3HB LEU 22 9.895 8.255 3.809 154 HG LEU 22 HG LEU 22 9.303 9.424 6.411 155 1HD1 LEU 22 1HD1 LEU 22 8.512 7.426 7.257 156 2HD1 LEU 22 2HD1 LEU 22 9.561 6.439 6.210 157 3HD1 LEU 22 3HD1 LEU 22 10.254 7.307 7.600 158 1HD2 LEU 22 1HD2 LEU 22 11.832 8.025 6.163 159 2HD2 LEU 22 2HD2 LEU 22 11.496 9.030 4.732 160 3HD2 LEU 22 3HD2 LEU 22 11.498 9.763 6.356 161 H ASP 23 HN ASP 23 5.786 8.826 3.471 162 HA ASP 23 HA ASP 23 4.639 8.483 1.665 163 1HB ASP 23 2HB ASP 23 6.336 10.731 0.991 164 2HB ASP 23 3HB ASP 23 6.167 9.730 -0.438 165 H VAL 24 HN VAL 24 5.223 6.190 1.603 166 HA VAL 24 HA VAL 24 7.366 5.553 -0.304 167 HB VAL 24 HB VAL 24 7.552 3.429 0.838 168 1HG1 VAL 24 1HG1 VAL 24 8.117 4.395 3.217 169 2HG1 VAL 24 2HG1 VAL 24 9.045 4.917 1.790 170 3HG1 VAL 24 3HG1 VAL 24 7.760 5.959 2.445 171 1HG2 VAL 24 1HG2 VAL 24 5.226 4.440 2.490 172 2HG2 VAL 24 2HG2 VAL 24 5.347 2.934 1.548 173 3HG2 VAL 24 3HG2 VAL 24 6.299 3.131 3.040 174 H LEU 25 HN LEU 25 4.109 4.482 0.900 175 HA LEU 25 HA LEU 25 3.559 2.701 -1.114 176 1HB LEU 25 2HB LEU 25 1.622 4.526 0.315 177 2HB LEU 25 3HB LEU 25 1.216 3.052 -0.541 178 HG LEU 25 HG LEU 25 3.047 2.084 1.217 179 1HD1 LEU 25 1HD1 LEU 25 3.503 3.496 2.864 180 2HD1 LEU 25 2HD1 LEU 25 2.363 4.697 2.211 181 3HD1 LEU 25 3HD1 LEU 25 1.788 3.445 3.338 182 1HD2 LEU 25 1HD2 LEU 25 0.236 2.380 2.200 183 2HD2 LEU 25 2HD2 LEU 25 0.530 1.529 0.664 184 3HD2 LEU 25 3HD2 LEU 25 1.296 0.950 2.163 185 H GLU 26 HN GLU 26 4.059 3.175 -3.222 186 HA GLU 26 HA GLU 26 2.854 5.626 -4.248 187 1HB GLU 26 2HB GLU 26 5.269 4.096 -5.316 188 2HB GLU 26 3HB GLU 26 4.600 5.552 -6.027 189 1HG GLU 26 2HG GLU 26 4.981 6.159 -3.269 190 2HG GLU 26 3HG GLU 26 6.419 5.284 -3.758 191 H MET 27 HN MET 27 2.766 5.223 -6.934 192 HA MET 27 HA MET 27 0.817 3.126 -7.100 193 1HB MET 27 2HB MET 27 0.479 4.135 -9.423 194 2HB MET 27 3HB MET 27 0.285 5.292 -8.122 195 1HG MET 27 2HG MET 27 2.053 6.544 -8.837 196 2HG MET 27 3HG MET 27 3.092 5.139 -8.976 197 1HE MET 27 1HE MET 27 1.800 7.907 -10.526 198 2HE MET 27 2HE MET 27 3.333 7.485 -11.325 199 3HE MET 27 3HE MET 27 1.835 7.599 -12.279 200 H VAL 28 HN VAL 28 1.031 1.184 -8.204 201 HA VAL 28 HA VAL 28 3.529 0.830 -9.706 202 HB VAL 28 HB VAL 28 4.016 -1.136 -8.652 203 1HG1 VAL 28 1HG1 VAL 28 2.628 0.589 -6.582 204 2HG1 VAL 28 2HG1 VAL 28 3.598 -0.844 -6.165 205 3HG1 VAL 28 3HG1 VAL 28 4.360 0.535 -6.992 206 1HG2 VAL 28 1HG2 VAL 28 1.180 -1.380 -7.600 207 2HG2 VAL 28 2HG2 VAL 28 1.776 -2.154 -9.088 208 3HG2 VAL 28 3HG2 VAL 28 2.473 -2.600 -7.512 209 HA PRO 29 HA PRO 29 1.060 -1.009 -12.745 210 1HB PRO 29 2HB PRO 29 2.426 -3.221 -13.589 211 2HB PRO 29 3HB PRO 29 2.851 -1.589 -14.070 212 1HG PRO 29 2HG PRO 29 4.201 -3.360 -12.124 213 2HG PRO 29 3HG PRO 29 4.825 -1.931 -12.926 214 1HD PRO 29 2HD PRO 29 3.917 -2.118 -10.211 215 2HD PRO 29 3HD PRO 29 4.430 -0.666 -11.047 216 H TRP 30 HN TRP 30 -0.957 -1.667 -12.377 217 HA TRP 30 HA TRP 30 -1.146 -4.382 -11.284 218 1HB TRP 30 2HB TRP 30 -1.525 -2.860 -9.439 219 2HB TRP 30 3HB TRP 30 -2.709 -1.963 -10.368 220 HD1 TRP 30 HD1 TRP 30 -5.135 -2.616 -9.683 221 HE1 TRP 30 HE1 TRP 30 -6.446 -4.719 -8.776 222 HE3 TRP 30 HE3 TRP 30 -1.131 -5.752 -9.641 223 HZ2 TRP 30 HZ2 TRP 30 -5.680 -7.397 -8.158 224 HZ3 TRP 30 HZ3 TRP 30 -1.500 -8.094 -8.871 225 HH2 TRP 30 HH2 TRP 30 -3.679 -8.931 -8.147 226 H ASP 31 HN ASP 31 -3.615 -5.101 -11.620 227 HA ASP 31 HA ASP 31 -4.566 -3.956 -14.111 228 1HB ASP 31 2HB ASP 31 -3.157 -6.245 -14.212 229 2HB ASP 31 3HB ASP 31 -4.682 -6.948 -13.714 230 H GLY 32 HN GLY 32 -5.863 -3.124 -11.984 231 1HA GLY 32 1HA GLY 32 -8.326 -4.671 -11.909 232 2HA GLY 32 2HA GLY 32 -7.482 -4.504 -10.383 233 H CYS 33 HN CYS 33 -6.337 -1.827 -10.979 234 HA CYS 33 HA CYS 33 -8.592 -0.313 -10.143 235 1HB CYS 33 2HB CYS 33 -5.761 -0.067 -9.995 236 2HB CYS 33 3HB CYS 33 -6.349 1.353 -10.837 237 HG CYS 33 HG CYS 33 -7.006 2.506 -8.885 238 H LYS 34 HN LYS 34 -9.125 1.843 -11.300 239 HA LYS 34 HA LYS 34 -9.904 1.289 -13.924 240 1HB LYS 34 2HB LYS 34 -10.509 3.170 -11.980 241 2HB LYS 34 3HB LYS 34 -9.737 4.133 -13.223 242 1HG LYS 34 2HG LYS 34 -11.431 2.345 -14.636 243 2HG LYS 34 3HG LYS 34 -12.372 2.853 -13.247 244 1HD LYS 34 2HD LYS 34 -12.750 4.874 -14.200 245 2HD LYS 34 3HD LYS 34 -11.028 5.183 -14.291 246 1HE LYS 34 2HE LYS 34 -10.972 4.759 -16.530 247 2HE LYS 34 3HE LYS 34 -11.850 3.255 -16.345 248 1HZ LYS 34 1HZ LYS 34 -13.034 4.955 -17.625 249 2HZ LYS 34 2HZ LYS 34 -13.883 4.448 -16.325 250 3HZ LYS 34 3HZ LYS 34 -13.131 5.897 -16.295 251 H ALA 35 HN ALA 35 -6.903 2.470 -12.546 252 HA ALA 35 HA ALA 35 -5.995 3.170 -15.253 253 1HB ALA 35 1HB ALA 35 -4.265 4.519 -14.073 254 2HB ALA 35 2HB ALA 35 -5.919 5.050 -13.685 255 3HB ALA 35 3HB ALA 35 -5.003 4.068 -12.518 256 H GLY 36 HN GLY 36 -6.279 0.475 -13.728 257 1HA GLY 36 1HA GLY 36 -5.037 -1.364 -13.288 258 2HA GLY 36 2HA GLY 36 -4.244 -0.933 -14.790 259 H GLN 37 HN GLN 37 -4.238 0.511 -11.448 260 HA GLN 37 HA GLN 37 -1.456 -0.159 -11.226 261 1HB GLN 37 2HB GLN 37 -0.840 2.235 -10.660 262 2HB GLN 37 3HB GLN 37 -1.209 1.957 -12.349 263 1HG GLN 37 2HG GLN 37 -2.768 3.597 -12.229 264 2HG GLN 37 3HG GLN 37 -3.709 2.572 -11.164 265 1HE2 GLN 37 1HE2 GLN 37 -4.025 3.160 -9.137 266 2HE2 GLN 37 2HE2 GLN 37 -3.235 4.454 -8.302 267 H ILE 38 HN ILE 38 -1.178 -0.932 -9.180 268 HA ILE 38 HA ILE 38 -3.156 -0.133 -7.186 269 HB ILE 38 HB ILE 38 -2.670 -2.556 -7.848 270 1HG1 ILE 38 2HG1 ILE 38 -2.447 -2.860 -5.063 271 2HG1 ILE 38 3HG1 ILE 38 -3.244 -1.316 -5.287 272 1HG2 ILE 38 1HG2 ILE 38 -0.811 -3.572 -6.460 273 2HG2 ILE 38 2HG2 ILE 38 -0.308 -2.632 -7.884 274 3HG2 ILE 38 3HG2 ILE 38 -0.180 -1.920 -6.258 275 1HD1 ILE 38 1HD1 ILE 38 -4.856 -3.234 -5.192 276 2HD1 ILE 38 2HD1 ILE 38 -4.951 -2.342 -6.728 277 3HD1 ILE 38 3HD1 ILE 38 -4.103 -3.905 -6.659 278 H ALA 39 HN ALA 39 -2.570 0.762 -5.179 279 HA ALA 39 HA ALA 39 -0.039 2.149 -5.250 280 1HB ALA 39 1HB ALA 39 -2.215 3.232 -4.615 281 2HB ALA 39 2HB ALA 39 -2.261 2.193 -3.172 282 3HB ALA 39 3HB ALA 39 -0.953 3.383 -3.370 283 H SER 40 HN SER 40 1.707 0.872 -4.758 284 HA SER 40 HA SER 40 1.515 -0.504 -2.201 285 1HB SER 40 2HB SER 40 2.181 -1.637 -4.870 286 2HB SER 40 3HB SER 40 3.307 -2.075 -3.600 287 HG SER 40 HG SER 40 0.989 -3.232 -4.076 288 H SER 41 HN SER 41 4.140 -1.401 -1.950 289 HA SER 41 HA SER 41 5.704 1.012 -2.423 290 1HB SER 41 2HB SER 41 5.496 -0.635 0.128 291 2HB SER 41 3HB SER 41 6.827 0.467 -0.165 292 HG SER 41 HG SER 41 5.325 2.222 -0.315 293 HA PRO 42 HA PRO 42 7.990 -2.470 -4.080 294 1HB PRO 42 2HB PRO 42 9.060 -1.157 -6.225 295 2HB PRO 42 3HB PRO 42 7.536 -2.021 -6.292 296 1HG PRO 42 2HG PRO 42 8.009 0.895 -6.189 297 2HG PRO 42 3HG PRO 42 6.563 0.034 -6.677 298 1HD PRO 42 2HD PRO 42 7.001 1.379 -4.182 299 2HD PRO 42 3HD PRO 42 5.602 0.422 -4.625 300 H ARG 43 HN ARG 43 9.423 0.757 -4.332 301 HA ARG 43 HA ARG 43 11.853 -0.422 -3.334 302 1HB ARG 43 2HB ARG 43 11.353 2.459 -4.230 303 2HB ARG 43 3HB ARG 43 12.916 1.699 -4.001 304 1HG ARG 43 2HG ARG 43 10.879 0.603 -5.984 305 2HG ARG 43 3HG ARG 43 12.013 1.861 -6.432 306 1HD ARG 43 2HD ARG 43 13.432 0.145 -6.951 307 2HD ARG 43 3HD ARG 43 13.704 0.030 -5.223 308 HE ARG 43 HE ARG 43 12.371 -1.915 -5.141 309 1HH1 ARG 43 1HH1 ARG 43 10.772 -3.599 -7.747 310 2HH1 ARG 43 2HH1 ARG 43 11.272 -3.680 -6.090 311 1HH2 ARG 43 1HH2 ARG 43 11.221 -1.699 -9.002 312 2HH2 ARG 43 2HH2 ARG 43 12.054 -0.362 -8.283 313 H THR 44 HN THR 44 11.015 -0.766 -1.110 314 HA THR 44 HA THR 44 10.365 1.643 0.389 315 HB THR 44 HB THR 44 10.484 -1.296 1.244 316 HG1 THR 44 1HG THR 44 8.081 -0.931 0.802 317 1HG2 THR 44 1HG2 THR 44 10.255 0.087 3.213 318 2HG2 THR 44 2HG2 THR 44 9.184 1.230 2.367 319 3HG2 THR 44 3HG2 THR 44 8.597 -0.398 2.784 320 H GLU 45 HN GLU 45 13.096 1.195 -0.793 321 HA GLU 45 HA GLU 45 14.883 0.354 1.072 322 1HB GLU 45 2HB GLU 45 16.538 1.564 -0.173 323 2HB GLU 45 3HB GLU 45 15.321 1.067 -1.333 324 1HG GLU 45 2HG GLU 45 14.312 3.287 -1.350 325 2HG GLU 45 3HG GLU 45 15.282 3.804 0.015 326 H ASP 46 HN ASP 46 12.977 3.343 0.959 327 HA ASP 46 HA ASP 46 14.448 4.264 3.298 328 1HB ASP 46 2HB ASP 46 12.890 5.684 1.122 329 2HB ASP 46 3HB ASP 46 13.064 6.454 2.686 330 H CYS 47 HN CYS 47 13.310 3.578 5.131 331 HA CYS 47 HA CYS 47 10.907 4.567 5.856 332 1HB CYS 47 2HB CYS 47 9.564 3.546 4.275 333 2HB CYS 47 3HB CYS 47 10.554 2.103 4.186 334 H VAL 48 HN VAL 48 11.942 4.582 7.885 335 HA VAL 48 HA VAL 48 12.935 2.038 8.898 336 HB VAL 48 HB VAL 48 13.146 4.886 9.890 337 1HG1 VAL 48 1HG1 VAL 48 15.067 3.279 11.175 338 2HG1 VAL 48 2HG1 VAL 48 13.638 4.052 11.901 339 3HG1 VAL 48 3HG1 VAL 48 13.534 2.382 11.293 340 1HG2 VAL 48 1HG2 VAL 48 15.600 3.418 9.222 341 2HG2 VAL 48 2HG2 VAL 48 14.512 3.653 7.834 342 3HG2 VAL 48 3HG2 VAL 48 15.082 5.058 8.765 343 H GLY 49 HN GLY 49 10.122 2.173 8.472 344 1HA GLY 49 1HA GLY 49 8.142 1.940 9.522 345 2HA GLY 49 2HA GLY 49 9.086 1.176 10.786 346 H CYS 50 HN CYS 50 7.838 4.344 9.604 347 HA CYS 50 HA CYS 50 8.560 5.697 11.994 348 1HB CYS 50 2HB CYS 50 7.414 7.597 11.059 349 2HB CYS 50 3HB CYS 50 8.351 6.831 9.791 350 H LYS 51 HN LYS 51 5.830 3.792 10.764 351 HA LYS 51 HA LYS 51 4.181 2.842 11.947 352 1HB LYS 51 2HB LYS 51 5.755 3.726 14.028 353 2HB LYS 51 3HB LYS 51 4.243 4.554 14.341 354 1HG LYS 51 2HG LYS 51 3.001 2.499 14.432 355 2HG LYS 51 3HG LYS 51 4.290 1.588 13.672 356 1HD LYS 51 2HD LYS 51 5.000 1.032 15.755 357 2HD LYS 51 3HD LYS 51 5.529 2.693 15.940 358 1HE LYS 51 2HE LYS 51 2.763 2.832 16.437 359 2HE LYS 51 3HE LYS 51 3.232 1.313 17.177 360 1HZ LYS 51 1HZ LYS 51 4.016 2.515 18.828 361 2HZ LYS 51 2HZ LYS 51 5.187 3.098 17.850 362 3HZ LYS 51 3HZ LYS 51 3.790 3.924 18.034 363 H ARG 52 HN ARG 52 3.544 4.392 9.953 364 HA ARG 52 HA ARG 52 1.544 6.187 11.072 365 1HB ARG 52 2HB ARG 52 3.530 6.585 8.874 366 2HB ARG 52 3HB ARG 52 1.911 7.144 8.503 367 1HG ARG 52 2HG ARG 52 3.075 9.005 9.514 368 2HG ARG 52 3HG ARG 52 1.920 8.429 10.699 369 1HD ARG 52 2HD ARG 52 4.216 6.884 11.220 370 2HD ARG 52 3HD ARG 52 4.866 8.463 10.830 371 HE ARG 52 HE ARG 52 3.252 7.768 13.174 372 1HH1 ARG 52 1HH1 ARG 52 3.254 11.044 14.377 373 2HH1 ARG 52 2HH1 ARG 52 2.914 9.388 14.751 374 1HH2 ARG 52 1HH2 ARG 52 4.053 11.619 12.275 375 2HH2 ARG 52 2HH2 ARG 52 4.310 10.392 11.081 376 H CYS 53 HN CYS 53 2.509 4.125 8.244 377 HA CYS 53 HA CYS 53 0.178 4.096 6.867 378 1HB CYS 53 2HB CYS 53 0.901 1.600 6.376 379 2HB CYS 53 3HB CYS 53 1.831 2.954 5.767 380 H GLU 54 HN GLU 54 0.890 0.997 8.476 381 HA GLU 54 HA GLU 54 -0.399 -0.400 9.539 382 1HB GLU 54 2HB GLU 54 0.188 1.305 11.345 383 2HB GLU 54 3HB GLU 54 -1.396 2.016 11.106 384 1HG GLU 54 2HG GLU 54 -2.372 0.418 12.387 385 2HG GLU 54 3HG GLU 54 -1.700 -0.856 11.389 386 H THR 55 HN THR 55 -1.534 0.844 7.098 387 HA THR 55 HA THR 55 -4.348 0.259 7.672 388 HB THR 55 HB THR 55 -4.895 2.228 6.117 389 HG1 THR 55 1HG THR 55 -2.074 2.683 6.795 390 1HG2 THR 55 1HG2 THR 55 -3.487 2.644 8.786 391 2HG2 THR 55 2HG2 THR 55 -4.066 4.034 7.838 392 3HG2 THR 55 3HG2 THR 55 -5.220 2.809 8.416 393 H ALA 56 HN ALA 56 -2.722 -1.700 6.792 394 HA ALA 56 HA ALA 56 -2.459 -1.719 3.968 395 1HB ALA 56 1HB ALA 56 -1.787 -4.034 4.309 396 2HB ALA 56 2HB ALA 56 -1.061 -3.026 5.585 397 3HB ALA 56 3HB ALA 56 -2.484 -4.032 5.947 398 H CYS 57 HN CYS 57 -4.779 -0.867 3.660 399 HA CYS 57 HA CYS 57 -6.828 -1.200 2.954 400 1HB CYS 57 2HB CYS 57 -5.382 -3.402 1.956 401 2HB CYS 57 3HB CYS 57 -6.878 -4.078 2.567 402 HA PRO 58 HA PRO 58 -9.082 -2.587 6.413 403 1HB PRO 58 2HB PRO 58 -11.626 -2.758 5.430 404 2HB PRO 58 3HB PRO 58 -10.879 -1.243 5.898 405 1HG PRO 58 2HG PRO 58 -11.377 -2.304 3.184 406 2HG PRO 58 3HG PRO 58 -11.036 -0.656 3.672 407 1HD PRO 58 2HD PRO 58 -9.210 -2.493 2.440 408 2HD PRO 58 3HD PRO 58 -8.839 -0.887 3.035 409 H THR 59 HN THR 59 -7.647 -4.624 5.049 410 HA THR 59 HA THR 59 -7.562 -6.843 4.901 411 HB THR 59 HB THR 59 -8.328 -7.976 6.840 412 HG1 THR 59 1HG THR 59 -10.570 -7.803 6.700 413 1HG2 THR 59 1HG2 THR 59 -8.174 -6.475 8.712 414 2HG2 THR 59 2HG2 THR 59 -7.172 -5.716 7.452 415 3HG2 THR 59 3HG2 THR 59 -8.816 -5.111 7.767 416 H ASP 60 HN ASP 60 -8.175 -8.160 3.304 417 HA ASP 60 HA ASP 60 -10.492 -9.292 2.871 418 1HB ASP 60 2HB ASP 60 -10.767 -6.441 2.264 419 2HB ASP 60 3HB ASP 60 -11.066 -7.397 0.826 420 H PHE 61 HN PHE 61 -7.711 -7.528 1.629 421 HA PHE 61 HA PHE 61 -7.721 -9.170 -0.801 422 1HB PHE 61 2HB PHE 61 -7.362 -6.400 -0.287 423 2HB PHE 61 3HB PHE 61 -5.720 -6.985 -0.476 424 HD1 PHE 61 1HD PHE 61 -5.936 -9.000 -2.557 425 HD2 PHE 61 2HD PHE 61 -7.920 -5.264 -2.219 426 HE1 PHE 61 1HE PHE 61 -6.191 -8.909 -5.052 427 HE2 PHE 61 2HE PHE 61 -8.174 -5.173 -4.715 428 HZ PHE 61 HZ PHE 61 -7.306 -6.997 -6.101 429 H LEU 62 HN LEU 62 -5.222 -7.570 1.305 430 HA LEU 62 HA LEU 62 -3.203 -9.336 0.734 431 1HB LEU 62 2HB LEU 62 -2.181 -8.534 2.826 432 2HB LEU 62 3HB LEU 62 -2.763 -7.254 1.779 433 HG LEU 62 HG LEU 62 -4.894 -7.313 3.289 434 1HD1 LEU 62 1HD1 LEU 62 -4.053 -7.850 5.714 435 2HD1 LEU 62 2HD1 LEU 62 -4.688 -9.142 4.667 436 3HD1 LEU 62 3HD1 LEU 62 -2.931 -8.939 4.865 437 1HD2 LEU 62 1HD2 LEU 62 -3.648 -5.816 4.979 438 2HD2 LEU 62 2HD2 LEU 62 -2.213 -6.121 3.971 439 3HD2 LEU 62 3HD2 LEU 62 -3.650 -5.344 3.263 440 H SER 63 HN SER 63 -2.410 -11.261 1.654 441 HA SER 63 HA SER 63 -4.484 -12.793 2.921 442 1HB SER 63 2HB SER 63 -1.761 -13.487 1.757 443 2HB SER 63 3HB SER 63 -2.714 -14.665 2.637 444 HG SER 63 HG SER 63 -2.955 -13.901 0.042 445 H ILE 64 HN ILE 64 -3.598 -10.738 4.609 446 HA ILE 64 HA ILE 64 -2.375 -10.252 6.450 447 HB ILE 64 HB ILE 64 -3.044 -11.809 8.306 448 1HG1 ILE 64 2HG1 ILE 64 -4.843 -13.218 6.370 449 2HG1 ILE 64 3HG1 ILE 64 -3.187 -13.770 6.522 450 1HG2 ILE 64 1HG2 ILE 64 -5.260 -10.834 6.483 451 2HG2 ILE 64 2HG2 ILE 64 -5.381 -11.155 8.229 452 3HG2 ILE 64 3HG2 ILE 64 -4.349 -9.831 7.638 453 1HD1 ILE 64 1HD1 ILE 64 -4.421 -15.038 8.131 454 2HD1 ILE 64 2HD1 ILE 64 -3.573 -13.793 9.078 455 3HD1 ILE 64 3HD1 ILE 64 -5.302 -13.599 8.702 456 H ARG 65 HN ARG 65 -0.200 -10.339 5.675 457 HA ARG 65 HA ARG 65 1.118 -12.874 5.879 458 1HB ARG 65 2HB ARG 65 1.692 -11.405 3.989 459 2HB ARG 65 3HB ARG 65 2.094 -10.090 5.077 460 1HG ARG 65 2HG ARG 65 4.195 -10.892 5.420 461 2HG ARG 65 3HG ARG 65 3.599 -12.499 5.786 462 1HD ARG 65 2HD ARG 65 3.204 -12.609 3.136 463 2HD ARG 65 3HD ARG 65 4.413 -11.341 3.114 464 HE ARG 65 HE ARG 65 5.553 -13.240 4.768 465 1HH1 ARG 65 1HH1 ARG 65 6.761 -15.569 2.466 466 2HH1 ARG 65 2HH1 ARG 65 6.900 -14.952 4.079 467 1HH2 ARG 65 1HH2 ARG 65 5.204 -14.656 1.007 468 2HH2 ARG 65 2HH2 ARG 65 4.184 -13.358 1.528 469 H VAL 66 HN VAL 66 0.519 -10.019 7.796 470 HA VAL 66 HA VAL 66 1.176 -9.370 9.802 471 HB VAL 66 HB VAL 66 2.145 -12.228 9.981 472 1HG1 VAL 66 1HG1 VAL 66 2.438 -11.988 12.296 473 2HG1 VAL 66 2HG1 VAL 66 3.181 -10.520 11.617 474 3HG1 VAL 66 3HG1 VAL 66 1.559 -10.441 12.345 475 1HG2 VAL 66 1HG2 VAL 66 -0.339 -11.064 11.245 476 2HG2 VAL 66 2HG2 VAL 66 -0.346 -11.691 9.579 477 3HG2 VAL 66 3HG2 VAL 66 0.069 -12.769 10.934 478 H TYR 67 HN TYR 67 2.706 -7.814 9.892 479 HA TYR 67 HA TYR 67 5.490 -8.658 9.645 480 1HB TYR 67 2HB TYR 67 3.841 -7.135 7.745 481 2HB TYR 67 3HB TYR 67 5.077 -6.073 8.392 482 HD1 TYR 67 HD1 TYR 67 4.674 -9.457 6.834 483 HD2 TYR 67 HD2 TYR 67 7.208 -6.063 7.433 484 HE1 TYR 67 HE1 TYR 67 6.369 -10.425 5.204 485 HE2 TYR 67 HE2 TYR 67 8.895 -7.042 5.801 486 HH TYR 67 HH TYR 67 9.453 -8.776 4.619 487 H LEU 68 HN LEU 68 3.380 -5.715 10.031 488 HA LEU 68 HA LEU 68 5.022 -4.142 11.447 489 1HB LEU 68 2HB LEU 68 2.151 -4.494 11.175 490 2HB LEU 68 3HB LEU 68 2.578 -3.869 12.755 491 HG LEU 68 HG LEU 68 2.076 -2.063 11.208 492 1HD1 LEU 68 1HD1 LEU 68 4.448 -0.922 11.298 493 2HD1 LEU 68 2HD1 LEU 68 3.527 -1.253 12.786 494 3HD1 LEU 68 3HD1 LEU 68 4.850 -2.340 12.297 495 1HD2 LEU 68 1HD2 LEU 68 2.621 -2.146 9.062 496 2HD2 LEU 68 2HD2 LEU 68 4.350 -2.077 9.485 497 3HD2 LEU 68 3HD2 LEU 68 3.529 -3.650 9.346 498 H GLY 69 HN GLY 69 5.627 -3.815 13.638 499 1HA GLY 69 1HA GLY 69 5.997 -4.378 15.802 500 2HA GLY 69 2HA GLY 69 4.791 -5.643 15.683 501 H ALA 70 HN ALA 70 7.890 -5.015 13.881 502 HA ALA 70 HA ALA 70 9.033 -7.402 15.055 503 1HB ALA 70 1HB ALA 70 9.165 -8.672 13.123 504 2HB ALA 70 2HB ALA 70 7.591 -7.880 12.870 505 3HB ALA 70 3HB ALA 70 9.043 -7.254 12.053 506 H GLU 71 HN GLU 71 9.397 -4.979 12.363 507 HA GLU 71 HA GLU 71 12.168 -4.933 12.560 508 1HB GLU 71 2HB GLU 71 11.998 -2.879 11.160 509 2HB GLU 71 3HB GLU 71 10.994 -4.180 10.549 510 1HG GLU 71 2HG GLU 71 9.084 -3.094 11.995 511 2HG GLU 71 3HG GLU 71 10.127 -1.686 12.053 512 H THR 72 HN THR 72 13.492 -4.040 14.083 513 HA THR 72 HA THR 72 13.112 -1.514 15.194 514 HB THR 72 HB THR 72 11.184 -2.511 16.370 515 HG1 THR 72 1HG THR 72 12.279 -1.167 17.801 516 1HG2 THR 72 1HG2 THR 72 12.673 -4.888 16.383 517 2HG2 THR 72 2HG2 THR 72 12.812 -4.313 18.062 518 3HG2 THR 72 3HG2 THR 72 11.205 -4.590 17.346 519 H THR 73 HN THR 73 15.277 -2.252 14.022 520 HA THR 73 HA THR 73 17.492 -2.188 14.431 521 HB THR 73 HB THR 73 16.466 -1.675 16.968 522 HG1 THR 73 1HG THR 73 18.904 -1.409 17.317 523 1HG2 THR 73 1HG2 THR 73 18.540 -3.905 17.231 524 2HG2 THR 73 2HG2 THR 73 17.686 -3.057 18.542 525 3HG2 THR 73 3HG2 THR 73 16.801 -4.186 17.488 526 H ARG 74 HN ARG 74 15.662 -4.885 15.970 527 HA ARG 74 HA ARG 74 17.793 -6.670 15.339 528 1HB ARG 74 2HB ARG 74 16.713 -7.355 17.304 529 2HB ARG 74 3HB ARG 74 15.133 -6.842 16.746 530 1HG ARG 74 2HG ARG 74 16.449 -9.091 15.240 531 2HG ARG 74 3HG ARG 74 15.864 -9.450 16.852 532 1HD ARG 74 2HD ARG 74 13.616 -8.401 16.147 533 2HD ARG 74 3HD ARG 74 14.237 -8.365 14.508 534 HE ARG 74 HE ARG 74 14.077 -10.723 14.391 535 1HH1 ARG 74 1HH1 ARG 74 12.770 -12.934 16.753 536 2HH1 ARG 74 2HH1 ARG 74 13.285 -12.742 15.111 537 1HH2 ARG 74 1HH2 ARG 74 12.882 -11.141 18.221 538 2HH2 ARG 74 2HH2 ARG 74 13.482 -9.611 17.676 539 H SER 75 HN SER 75 14.666 -5.623 14.007 540 HA SER 75 HA SER 75 15.164 -7.402 11.761 541 1HB SER 75 2HB SER 75 12.720 -7.190 13.461 542 2HB SER 75 3HB SER 75 12.424 -7.224 11.733 543 HG SER 75 HG SER 75 12.500 -9.366 12.816 544 H MET 76 HN MET 76 15.677 -4.466 12.438 545 HA MET 76 HA MET 76 13.997 -2.683 11.477 546 1HB MET 76 2HB MET 76 16.870 -2.969 11.720 547 2HB MET 76 3HB MET 76 16.557 -2.180 10.187 548 1HG MET 76 2HG MET 76 14.939 -1.134 12.465 549 2HG MET 76 3HG MET 76 16.664 -0.875 12.622 550 1HE MET 76 1HE MET 76 16.032 1.986 12.365 551 2HE MET 76 2HE MET 76 17.540 1.075 12.114 552 3HE MET 76 3HE MET 76 17.027 2.293 10.922 553 H GLY 77 HN GLY 77 16.359 -4.405 9.299 554 1HA GLY 77 1HA GLY 77 14.434 -4.884 7.279 555 2HA GLY 77 2HA GLY 77 15.356 -3.445 6.894 556 H LEU 78 HN LEU 78 17.877 -4.195 8.128 557 HA LEU 78 HA LEU 78 18.656 -6.296 6.236 558 1HB LEU 78 2HB LEU 78 19.886 -4.500 5.602 559 2HB LEU 78 3HB LEU 78 19.910 -3.789 7.203 560 HG LEU 78 HG LEU 78 22.123 -4.610 6.255 561 1HD1 LEU 78 1HD1 LEU 78 21.576 -5.937 8.890 562 2HD1 LEU 78 2HD1 LEU 78 22.980 -4.978 8.364 563 3HD1 LEU 78 3HD1 LEU 78 21.439 -4.169 8.737 564 1HD2 LEU 78 1HD2 LEU 78 21.793 -7.323 7.224 565 2HD2 LEU 78 2HD2 LEU 78 20.694 -6.978 5.867 566 3HD2 LEU 78 3HD2 LEU 78 22.447 -6.731 5.678 567 H ALA 79 HN ALA 79 19.126 -5.071 9.609 568 HA ALA 79 HA ALA 79 20.799 -6.877 10.645 569 1HB ALA 79 1HB ALA 79 20.047 -6.068 12.630 570 2HB ALA 79 2HB ALA 79 19.047 -4.997 11.620 571 3HB ALA 79 3HB ALA 79 18.357 -6.500 12.278 572 H TYR 80 HN TYR 80 17.485 -7.471 9.491 573 HA TYR 80 HA TYR 80 17.141 -9.975 10.724 574 1HB TYR 80 2HB TYR 80 15.151 -9.856 9.448 575 2HB TYR 80 3HB TYR 80 15.637 -8.177 9.313 576 HD1 TYR 80 HD1 TYR 80 14.397 -10.796 7.477 577 HD2 TYR 80 HD2 TYR 80 17.527 -7.886 7.294 578 HE1 TYR 80 HE1 TYR 80 14.458 -11.011 4.944 579 HE2 TYR 80 HE2 TYR 80 17.579 -8.111 4.763 580 HH TYR 80 HH TYR 80 15.149 -9.483 3.026 Start of MODEL 13 1 H SER 1 HN SER 1 0.177 -1.621 15.504 2 HA SER 1 HA SER 1 -1.774 -1.562 14.001 3 1HB SER 1 2HB SER 1 0.819 -1.831 12.440 4 2HB SER 1 3HB SER 1 -0.533 -0.768 12.105 5 HG SER 1 HG SER 1 0.069 0.609 13.727 6 H HIS 2 HN HIS 2 0.606 -4.236 13.610 7 HA HIS 2 HA HIS 2 0.392 -6.265 12.792 8 1HB HIS 2 2HB HIS 2 -2.456 -6.201 12.062 9 2HB HIS 2 3HB HIS 2 -1.565 -7.347 13.044 10 HD1 HIS 2 HD1 HIS 2 -0.774 -6.034 15.522 11 HD2 HIS 2 HD2 HIS 2 -4.324 -4.934 13.575 12 HE1 HIS 2 HE1 HIS 2 -2.240 -4.916 17.286 13 H SER 3 HN SER 3 1.227 -6.809 10.840 14 HA SER 3 HA SER 3 1.733 -6.707 8.730 15 1HB SER 3 2HB SER 3 -0.643 -7.650 8.631 16 2HB SER 3 3HB SER 3 -1.195 -6.042 8.206 17 HG SER 3 HG SER 3 -0.551 -7.747 6.448 18 H VAL 4 HN VAL 4 1.121 -5.208 6.504 19 HA VAL 4 HA VAL 4 0.513 -2.542 6.884 20 HB VAL 4 HB VAL 4 2.976 -3.176 8.051 21 1HG1 VAL 4 1HG1 VAL 4 3.476 -1.487 5.585 22 2HG1 VAL 4 2HG1 VAL 4 4.662 -2.076 6.774 23 3HG1 VAL 4 3HG1 VAL 4 3.859 -3.223 5.677 24 1HG2 VAL 4 1HG2 VAL 4 3.135 -0.738 8.401 25 2HG2 VAL 4 2HG2 VAL 4 1.846 -0.488 7.199 26 3HG2 VAL 4 3HG2 VAL 4 1.494 -1.351 8.716 27 H LYS 5 HN LYS 5 2.514 -5.022 5.245 28 HA LYS 5 HA LYS 5 3.111 -3.883 2.898 29 1HB LYS 5 2HB LYS 5 2.997 -6.463 3.903 30 2HB LYS 5 3HB LYS 5 1.916 -6.536 2.527 31 1HG LYS 5 2HG LYS 5 4.519 -5.092 2.117 32 2HG LYS 5 3HG LYS 5 4.609 -6.831 2.305 33 1HD LYS 5 2HD LYS 5 2.416 -6.295 0.527 34 2HD LYS 5 3HD LYS 5 3.761 -5.307 -0.009 35 1HE LYS 5 2HE LYS 5 5.192 -7.503 0.274 36 2HE LYS 5 3HE LYS 5 3.647 -8.328 0.280 37 1HZ LYS 5 1HZ LYS 5 4.748 -6.646 -1.852 38 2HZ LYS 5 2HZ LYS 5 4.362 -8.230 -1.926 39 3HZ LYS 5 3HZ LYS 5 3.182 -7.107 -1.826 40 H ILE 6 HN ILE 6 2.107 -3.488 0.868 41 HA ILE 6 HA ILE 6 -0.825 -3.395 1.043 42 HB ILE 6 HB ILE 6 1.005 -1.470 -0.395 43 1HG1 ILE 6 2HG1 ILE 6 -0.081 0.084 1.447 44 2HG1 ILE 6 3HG1 ILE 6 -0.228 -1.418 2.339 45 1HG2 ILE 6 1HG2 ILE 6 -0.889 -1.214 -1.605 46 2HG2 ILE 6 2HG2 ILE 6 -1.935 -1.874 -0.326 47 3HG2 ILE 6 3HG2 ILE 6 -1.353 -0.196 -0.221 48 1HD1 ILE 6 1HD1 ILE 6 2.396 -0.591 1.039 49 2HD1 ILE 6 2HD1 ILE 6 1.948 -0.075 2.682 50 3HD1 ILE 6 3HD1 ILE 6 2.134 -1.806 2.313 51 H TYR 7 HN TYR 7 -1.413 -5.248 -0.031 52 HA TYR 7 HA TYR 7 0.023 -6.018 -2.413 53 1HB TYR 7 2HB TYR 7 -2.630 -7.083 -1.307 54 2HB TYR 7 3HB TYR 7 -1.404 -7.990 -2.169 55 HD1 TYR 7 HD1 TYR 7 -2.809 -7.464 0.970 56 HD2 TYR 7 HD2 TYR 7 1.006 -7.954 -0.905 57 HE1 TYR 7 HE1 TYR 7 -1.812 -8.228 3.181 58 HE2 TYR 7 HE2 TYR 7 1.990 -8.715 1.313 59 HH TYR 7 HH TYR 7 0.107 -9.652 3.892 60 H ASP 8 HN ASP 8 -1.615 -6.882 -4.263 61 HA ASP 8 HA ASP 8 -2.400 -4.788 -5.679 62 1HB ASP 8 2HB ASP 8 -3.636 -6.292 -7.051 63 2HB ASP 8 3HB ASP 8 -2.409 -7.290 -6.298 64 H THR 9 HN THR 9 -4.005 -6.212 -2.874 65 HA THR 9 HA THR 9 -6.631 -5.520 -3.200 66 HB THR 9 HB THR 9 -5.699 -6.826 -1.302 67 HG1 THR 9 1HG THR 9 -7.599 -5.937 -0.558 68 1HG2 THR 9 1HG2 THR 9 -3.946 -6.015 -0.084 69 2HG2 THR 9 2HG2 THR 9 -3.996 -4.491 -1.004 70 3HG2 THR 9 3HG2 THR 9 -4.984 -4.676 0.465 71 H CYS 10 HN CYS 10 -7.032 -3.650 -4.370 72 HA CYS 10 HA CYS 10 -6.851 -1.267 -2.768 73 1HB CYS 10 2HB CYS 10 -4.732 -1.610 -4.394 74 2HB CYS 10 3HB CYS 10 -5.834 -0.881 -5.546 75 H ILE 11 HN ILE 11 -8.804 -0.212 -3.010 76 HA ILE 11 HA ILE 11 -10.340 -0.864 -5.428 77 HB ILE 11 HB ILE 11 -12.312 -0.883 -4.186 78 1HG1 ILE 11 2HG1 ILE 11 -11.756 1.173 -2.848 79 2HG1 ILE 11 3HG1 ILE 11 -12.632 -0.074 -1.982 80 1HG2 ILE 11 1HG2 ILE 11 -11.325 -2.279 -2.002 81 2HG2 ILE 11 2HG2 ILE 11 -11.733 -2.952 -3.599 82 3HG2 ILE 11 3HG2 ILE 11 -10.058 -2.469 -3.238 83 1HD1 ILE 11 1HD1 ILE 11 -9.953 -0.781 -1.560 84 2HD1 ILE 11 2HD1 ILE 11 -9.939 0.998 -1.487 85 3HD1 ILE 11 3HD1 ILE 11 -11.005 0.072 -0.403 86 H GLY 12 HN GLY 12 -9.149 1.602 -3.158 87 1HA GLY 12 1HA GLY 12 -8.673 3.704 -4.477 88 2HA GLY 12 2HA GLY 12 -10.387 3.691 -4.842 89 H CYS 13 HN CYS 13 -8.580 2.896 -1.790 90 HA CYS 13 HA CYS 13 -10.305 4.844 -0.457 91 1HB CYS 13 2HB CYS 13 -10.440 3.475 1.338 92 2HB CYS 13 3HB CYS 13 -10.045 2.233 0.167 93 H THR 14 HN THR 14 -9.338 6.543 0.726 94 HA THR 14 HA THR 14 -6.568 7.051 0.098 95 HB THR 14 HB THR 14 -7.125 9.248 1.190 96 HG1 THR 14 1HG THR 14 -8.667 7.972 2.678 97 1HG2 THR 14 1HG2 THR 14 -8.240 9.931 -0.688 98 2HG2 THR 14 2HG2 THR 14 -8.332 8.220 -1.171 99 3HG2 THR 14 3HG2 THR 14 -9.663 8.957 -0.248 100 H GLN 15 HN GLN 15 -6.045 4.913 1.321 101 HA GLN 15 HA GLN 15 -5.115 5.799 3.895 102 1HB GLN 15 2HB GLN 15 -6.430 4.480 5.176 103 2HB GLN 15 3HB GLN 15 -7.433 4.236 3.760 104 1HG GLN 15 2HG GLN 15 -5.838 2.313 3.115 105 2HG GLN 15 3HG GLN 15 -5.128 2.480 4.709 106 1HE2 GLN 15 1HE2 GLN 15 -6.104 0.123 4.225 107 2HE2 GLN 15 2HE2 GLN 15 -7.621 -0.181 5.003 108 H CYS 16 HN CYS 16 -3.097 4.912 4.418 109 HA CYS 16 HA CYS 16 -1.387 3.467 4.318 110 1HB CYS 16 2HB CYS 16 -1.482 1.434 3.314 111 2HB CYS 16 3HB CYS 16 -3.192 1.808 3.225 112 H VAL 17 HN VAL 17 -2.804 4.844 1.308 113 HA VAL 17 HA VAL 17 -0.128 5.373 0.286 114 HB VAL 17 HB VAL 17 -2.856 5.813 -0.943 115 1HG1 VAL 17 1HG1 VAL 17 -1.575 7.174 -2.250 116 2HG1 VAL 17 2HG1 VAL 17 -0.065 6.316 -1.862 117 3HG1 VAL 17 3HG1 VAL 17 -1.200 5.628 -3.048 118 1HG2 VAL 17 1HG2 VAL 17 -2.863 3.548 -0.982 119 2HG2 VAL 17 2HG2 VAL 17 -1.768 3.778 -2.366 120 3HG2 VAL 17 3HG2 VAL 17 -1.101 3.429 -0.754 121 H ARG 18 HN ARG 18 -1.866 6.704 2.638 122 HA ARG 18 HA ARG 18 -1.097 9.373 1.796 123 1HB ARG 18 2HB ARG 18 -3.787 8.421 2.431 124 2HB ARG 18 3HB ARG 18 -3.314 9.658 3.578 125 1HG ARG 18 2HG ARG 18 -4.334 10.824 1.741 126 2HG ARG 18 3HG ARG 18 -2.611 11.109 1.590 127 1HD ARG 18 2HD ARG 18 -2.916 8.764 0.128 128 2HD ARG 18 3HD ARG 18 -4.433 9.579 -0.194 129 HE ARG 18 HE ARG 18 -1.732 10.528 -0.952 130 1HH1 ARG 18 1HH1 ARG 18 -3.086 13.104 -2.877 131 2HH1 ARG 18 2HH1 ARG 18 -1.643 12.241 -2.462 132 1HH2 ARG 18 1HH2 ARG 18 -5.109 12.521 -1.899 133 2HH2 ARG 18 2HH2 ARG 18 -5.176 11.224 -0.754 134 H ALA 19 HN ALA 19 -2.135 7.220 4.529 135 HA ALA 19 HA ALA 19 -1.462 8.638 6.692 136 1HB ALA 19 1HB ALA 19 -1.993 5.981 6.097 137 2HB ALA 19 2HB ALA 19 -0.357 5.911 6.794 138 3HB ALA 19 3HB ALA 19 -1.690 6.639 7.723 139 H CYS 20 HN CYS 20 0.885 6.663 4.737 140 HA CYS 20 HA CYS 20 3.147 7.085 6.071 141 1HB CYS 20 2HB CYS 20 2.926 5.817 3.938 142 2HB CYS 20 3HB CYS 20 2.897 7.330 3.055 143 HA PRO 21 HA PRO 21 3.390 11.482 6.109 144 1HB PRO 21 2HB PRO 21 5.528 11.701 7.798 145 2HB PRO 21 3HB PRO 21 3.876 11.534 8.359 146 1HG PRO 21 2HG PRO 21 6.037 9.516 8.326 147 2HG PRO 21 3HG PRO 21 4.545 9.514 9.248 148 1HD PRO 21 2HD PRO 21 5.107 7.981 6.890 149 2HD PRO 21 3HD PRO 21 3.580 8.067 7.745 150 H LEU 22 HN LEU 22 6.464 9.738 5.946 151 HA LEU 22 HA LEU 22 7.675 11.794 4.435 152 1HB LEU 22 2HB LEU 22 9.392 9.956 4.019 153 2HB LEU 22 3HB LEU 22 9.141 10.513 5.661 154 HG LEU 22 HG LEU 22 7.439 8.228 5.005 155 1HD1 LEU 22 1HD1 LEU 22 9.343 7.703 3.515 156 2HD1 LEU 22 2HD1 LEU 22 10.434 7.777 4.920 157 3HD1 LEU 22 3HD1 LEU 22 9.158 6.538 4.849 158 1HD2 LEU 22 1HD2 LEU 22 7.611 8.786 7.263 159 2HD2 LEU 22 2HD2 LEU 22 8.666 7.361 7.097 160 3HD2 LEU 22 3HD2 LEU 22 9.378 8.990 7.182 161 H ASP 23 HN ASP 23 5.220 9.592 3.669 162 HA ASP 23 HA ASP 23 4.254 9.030 1.812 163 1HB ASP 23 2HB ASP 23 5.943 11.338 0.908 164 2HB ASP 23 3HB ASP 23 5.316 10.306 -0.363 165 H VAL 24 HN VAL 24 4.951 6.856 1.563 166 HA VAL 24 HA VAL 24 7.396 6.493 -0.029 167 HB VAL 24 HB VAL 24 6.253 4.862 2.239 168 1HG1 VAL 24 1HG1 VAL 24 8.424 3.462 1.725 169 2HG1 VAL 24 2HG1 VAL 24 6.911 3.141 0.844 170 3HG1 VAL 24 3HG1 VAL 24 8.199 4.103 0.080 171 1HG2 VAL 24 1HG2 VAL 24 8.716 5.177 3.015 172 2HG2 VAL 24 2HG2 VAL 24 8.746 6.508 1.833 173 3HG2 VAL 24 3HG2 VAL 24 7.578 6.536 3.176 174 H LEU 25 HN LEU 25 4.235 4.955 0.899 175 HA LEU 25 HA LEU 25 4.085 3.146 -1.138 176 1HB LEU 25 2HB LEU 25 1.796 4.728 0.036 177 2HB LEU 25 3HB LEU 25 1.684 3.187 -0.790 178 HG LEU 25 HG LEU 25 3.385 2.455 1.145 179 1HD1 LEU 25 1HD1 LEU 25 3.718 4.100 2.619 180 2HD1 LEU 25 2HD1 LEU 25 2.334 5.046 2.021 181 3HD1 LEU 25 3HD1 LEU 25 2.075 3.736 3.198 182 1HD2 LEU 25 1HD2 LEU 25 1.307 1.803 2.487 183 2HD2 LEU 25 2HD2 LEU 25 0.373 2.619 1.209 184 3HD2 LEU 25 3HD2 LEU 25 1.414 1.232 0.804 185 H GLU 26 HN GLU 26 3.721 3.180 -3.318 186 HA GLU 26 HA GLU 26 2.769 5.680 -4.433 187 1HB GLU 26 2HB GLU 26 5.248 4.209 -5.434 188 2HB GLU 26 3HB GLU 26 4.520 5.603 -6.206 189 1HG GLU 26 2HG GLU 26 4.886 6.313 -3.458 190 2HG GLU 26 3HG GLU 26 6.368 5.522 -3.960 191 H MET 27 HN MET 27 2.930 5.015 -7.161 192 HA MET 27 HA MET 27 0.919 2.970 -7.236 193 1HB MET 27 2HB MET 27 0.737 3.724 -9.649 194 2HB MET 27 3HB MET 27 0.578 5.053 -8.518 195 1HG MET 27 2HG MET 27 2.394 6.099 -9.399 196 2HG MET 27 3HG MET 27 3.393 4.681 -9.146 197 1HE MET 27 1HE MET 27 4.748 4.895 -10.765 198 2HE MET 27 2HE MET 27 4.433 3.482 -11.801 199 3HE MET 27 3HE MET 27 4.474 5.114 -12.510 200 H VAL 28 HN VAL 28 1.128 0.920 -8.141 201 HA VAL 28 HA VAL 28 3.776 0.305 -9.260 202 HB VAL 28 HB VAL 28 3.872 -1.660 -8.086 203 1HG1 VAL 28 1HG1 VAL 28 4.113 0.120 -6.487 204 2HG1 VAL 28 2HG1 VAL 28 2.349 0.262 -6.299 205 3HG1 VAL 28 3HG1 VAL 28 3.191 -1.193 -5.716 206 1HG2 VAL 28 1HG2 VAL 28 0.971 -1.657 -8.417 207 2HG2 VAL 28 2HG2 VAL 28 2.102 -3.021 -8.247 208 3HG2 VAL 28 3HG2 VAL 28 1.465 -2.207 -6.797 209 HA PRO 29 HA PRO 29 1.699 -1.403 -12.644 210 1HB PRO 29 2HB PRO 29 3.097 -3.667 -13.269 211 2HB PRO 29 3HB PRO 29 3.648 -2.055 -13.683 212 1HG PRO 29 2HG PRO 29 4.625 -3.857 -11.552 213 2HG PRO 29 3HG PRO 29 5.413 -2.457 -12.253 214 1HD PRO 29 2HD PRO 29 4.100 -2.592 -9.706 215 2HD PRO 29 3HD PRO 29 4.786 -1.165 -10.458 216 H TRP 30 HN TRP 30 -0.385 -1.940 -12.494 217 HA TRP 30 HA TRP 30 -0.838 -4.598 -11.314 218 1HB TRP 30 2HB TRP 30 -1.612 -2.767 -9.859 219 2HB TRP 30 3HB TRP 30 -2.630 -2.168 -11.153 220 HD1 TRP 30 HD1 TRP 30 -5.090 -2.832 -10.606 221 HE1 TRP 30 HE1 TRP 30 -6.426 -4.915 -9.686 222 HE3 TRP 30 HE3 TRP 30 -1.008 -5.746 -9.770 223 HZ2 TRP 30 HZ2 TRP 30 -5.643 -7.488 -8.734 224 HZ3 TRP 30 HZ3 TRP 30 -1.381 -8.030 -8.844 225 HH2 TRP 30 HH2 TRP 30 -3.601 -8.912 -8.330 226 H ASP 31 HN ASP 31 -3.741 -3.340 -12.365 227 HA ASP 31 HA ASP 31 -3.677 -3.278 -15.053 228 1HB ASP 31 2HB ASP 31 -2.935 -5.859 -14.292 229 2HB ASP 31 3HB ASP 31 -4.655 -6.039 -14.571 230 H GLY 32 HN GLY 32 -5.252 -4.847 -12.201 231 1HA GLY 32 1HA GLY 32 -7.894 -4.858 -13.086 232 2HA GLY 32 2HA GLY 32 -7.357 -4.807 -11.419 233 H CYS 33 HN CYS 33 -5.785 -2.187 -12.271 234 HA CYS 33 HA CYS 33 -7.927 -0.455 -11.483 235 1HB CYS 33 2HB CYS 33 -5.149 -0.462 -11.130 236 2HB CYS 33 3HB CYS 33 -5.440 0.884 -12.213 237 HG CYS 33 HG CYS 33 -5.360 1.499 -9.554 238 H LYS 34 HN LYS 34 -8.174 1.710 -12.757 239 HA LYS 34 HA LYS 34 -8.881 1.068 -15.408 240 1HB LYS 34 2HB LYS 34 -9.159 3.311 -13.555 241 2HB LYS 34 3HB LYS 34 -8.876 3.846 -15.198 242 1HG LYS 34 2HG LYS 34 -10.752 1.618 -15.215 243 2HG LYS 34 3HG LYS 34 -11.309 2.839 -14.088 244 1HD LYS 34 2HD LYS 34 -10.347 3.666 -16.843 245 2HD LYS 34 3HD LYS 34 -11.962 3.018 -16.647 246 1HE LYS 34 2HE LYS 34 -12.221 4.777 -14.721 247 2HE LYS 34 3HE LYS 34 -10.790 5.530 -15.396 248 1HZ LYS 34 1HZ LYS 34 -13.245 6.015 -16.237 249 2HZ LYS 34 2HZ LYS 34 -11.922 6.218 -17.172 250 3HZ LYS 34 3HZ LYS 34 -12.819 4.860 -17.309 251 H ALA 35 HN ALA 35 -5.959 2.300 -13.864 252 HA ALA 35 HA ALA 35 -4.845 2.829 -16.532 253 1HB ALA 35 1HB ALA 35 -4.724 4.219 -13.965 254 2HB ALA 35 2HB ALA 35 -3.099 3.843 -14.588 255 3HB ALA 35 3HB ALA 35 -4.239 4.779 -15.584 256 H GLY 36 HN GLY 36 -5.251 0.287 -14.636 257 1HA GLY 36 1HA GLY 36 -4.117 -1.607 -14.223 258 2HA GLY 36 2HA GLY 36 -3.069 -1.164 -15.555 259 H GLN 37 HN GLN 37 -3.544 0.727 -12.525 260 HA GLN 37 HA GLN 37 -0.913 -0.137 -11.667 261 1HB GLN 37 2HB GLN 37 -0.267 2.233 -11.186 262 2HB GLN 37 3HB GLN 37 -0.466 1.917 -12.897 263 1HG GLN 37 2HG GLN 37 -1.903 3.671 -12.963 264 2HG GLN 37 3HG GLN 37 -3.044 2.679 -12.076 265 1HE2 GLN 37 1HE2 GLN 37 -3.726 3.370 -10.196 266 2HE2 GLN 37 2HE2 GLN 37 -2.989 4.575 -9.193 267 H ILE 38 HN ILE 38 -1.058 -0.803 -9.571 268 HA ILE 38 HA ILE 38 -3.286 0.264 -8.000 269 HB ILE 38 HB ILE 38 -2.923 -2.245 -8.520 270 1HG1 ILE 38 2HG1 ILE 38 -3.388 -2.363 -5.731 271 2HG1 ILE 38 3HG1 ILE 38 -3.999 -0.809 -6.261 272 1HG2 ILE 38 1HG2 ILE 38 -0.793 -1.728 -6.451 273 2HG2 ILE 38 2HG2 ILE 38 -1.576 -3.317 -6.619 274 3HG2 ILE 38 3HG2 ILE 38 -0.677 -2.619 -7.987 275 1HD1 ILE 38 1HD1 ILE 38 -5.716 -2.624 -6.436 276 2HD1 ILE 38 2HD1 ILE 38 -5.357 -1.883 -8.013 277 3HD1 ILE 38 3HD1 ILE 38 -4.669 -3.471 -7.599 278 H ALA 39 HN ALA 39 -2.938 1.465 -6.172 279 HA ALA 39 HA ALA 39 -0.298 2.454 -5.770 280 1HB ALA 39 1HB ALA 39 -1.337 3.986 -4.311 281 2HB ALA 39 2HB ALA 39 -2.601 3.639 -5.515 282 3HB ALA 39 3HB ALA 39 -2.657 2.859 -3.917 283 H SER 40 HN SER 40 1.211 1.074 -4.923 284 HA SER 40 HA SER 40 0.534 -0.042 -2.341 285 1HB SER 40 2HB SER 40 1.500 -1.602 -4.753 286 2HB SER 40 3HB SER 40 1.894 -2.152 -3.136 287 HG SER 40 HG SER 40 -0.688 -1.895 -4.372 288 H SER 41 HN SER 41 2.804 -1.179 -1.506 289 HA SER 41 HA SER 41 4.876 0.761 -2.184 290 1HB SER 41 2HB SER 41 3.652 0.720 0.212 291 2HB SER 41 3HB SER 41 4.819 -0.548 0.526 292 HG SER 41 HG SER 41 5.388 1.849 0.966 293 HA PRO 42 HA PRO 42 6.480 -3.382 -3.025 294 1HB PRO 42 2HB PRO 42 7.628 -2.820 -5.442 295 2HB PRO 42 3HB PRO 42 6.000 -3.448 -5.276 296 1HG PRO 42 2HG PRO 42 6.867 -0.699 -5.928 297 2HG PRO 42 3HG PRO 42 5.299 -1.442 -6.172 298 1HD PRO 42 2HD PRO 42 6.016 0.417 -4.108 299 2HD PRO 42 3HD PRO 42 4.484 -0.415 -4.283 300 H ARG 43 HN ARG 43 8.365 -0.623 -4.197 301 HA ARG 43 HA ARG 43 10.659 -1.828 -2.987 302 1HB ARG 43 2HB ARG 43 10.241 0.711 -4.635 303 2HB ARG 43 3HB ARG 43 11.802 0.280 -3.967 304 1HG ARG 43 2HG ARG 43 11.846 -1.815 -5.232 305 2HG ARG 43 3HG ARG 43 10.188 -1.593 -5.756 306 1HD ARG 43 2HD ARG 43 10.787 0.333 -7.124 307 2HD ARG 43 3HD ARG 43 12.394 0.406 -6.430 308 HE ARG 43 HE ARG 43 11.956 -2.189 -7.614 309 1HH1 ARG 43 1HH1 ARG 43 13.561 -1.449 -10.622 310 2HH1 ARG 43 2HH1 ARG 43 12.961 -2.711 -9.599 311 1HH2 ARG 43 1HH2 ARG 43 13.346 0.769 -9.978 312 2HH2 ARG 43 2HH2 ARG 43 12.585 1.165 -8.473 313 H THR 44 HN THR 44 10.098 -1.651 -0.703 314 HA THR 44 HA THR 44 9.587 0.988 0.367 315 HB THR 44 HB THR 44 9.966 -1.745 1.703 316 HG1 THR 44 1HG THR 44 7.599 -0.166 0.993 317 1HG2 THR 44 1HG2 THR 44 8.472 -0.673 3.456 318 2HG2 THR 44 2HG2 THR 44 10.087 0.070 3.366 319 3HG2 THR 44 3HG2 THR 44 8.690 0.884 2.622 320 H GLU 45 HN GLU 45 12.222 0.163 -1.033 321 HA GLU 45 HA GLU 45 14.243 -0.119 0.715 322 1HB GLU 45 2HB GLU 45 15.679 0.821 -0.974 323 2HB GLU 45 3HB GLU 45 14.372 0.011 -1.814 324 1HG GLU 45 2HG GLU 45 13.225 2.118 -2.238 325 2HG GLU 45 3HG GLU 45 14.307 2.992 -1.171 326 H ASP 46 HN ASP 46 12.145 2.678 0.267 327 HA ASP 46 HA ASP 46 13.904 4.202 2.016 328 1HB ASP 46 2HB ASP 46 12.000 4.907 -0.183 329 2HB ASP 46 3HB ASP 46 11.991 5.997 1.189 330 H CYS 47 HN CYS 47 13.112 3.216 4.011 331 HA CYS 47 HA CYS 47 11.023 4.440 5.245 332 1HB CYS 47 2HB CYS 47 9.285 3.542 4.021 333 2HB CYS 47 3HB CYS 47 10.119 2.033 3.712 334 H VAL 48 HN VAL 48 10.877 3.680 7.469 335 HA VAL 48 HA VAL 48 12.415 1.296 8.110 336 HB VAL 48 HB VAL 48 13.972 3.252 8.066 337 1HG1 VAL 48 1HG1 VAL 48 13.427 4.480 10.528 338 2HG1 VAL 48 2HG1 VAL 48 13.262 5.196 8.907 339 3HG1 VAL 48 3HG1 VAL 48 11.861 4.420 9.683 340 1HG2 VAL 48 1HG2 VAL 48 14.397 2.786 10.783 341 2HG2 VAL 48 2HG2 VAL 48 13.535 1.333 10.221 342 3HG2 VAL 48 3HG2 VAL 48 15.047 1.835 9.425 343 H GLY 49 HN GLY 49 9.683 1.411 8.105 344 1HA GLY 49 1HA GLY 49 7.807 1.454 9.392 345 2HA GLY 49 2HA GLY 49 8.828 0.513 10.461 346 H CYS 50 HN CYS 50 7.695 3.833 9.683 347 HA CYS 50 HA CYS 50 8.800 4.816 12.166 348 1HB CYS 50 2HB CYS 50 8.240 6.993 11.407 349 2HB CYS 50 3HB CYS 50 8.887 6.142 10.019 350 H LYS 51 HN LYS 51 6.985 2.734 12.614 351 HA LYS 51 HA LYS 51 4.963 2.184 13.405 352 1HB LYS 51 2HB LYS 51 6.312 4.080 15.092 353 2HB LYS 51 3HB LYS 51 4.583 4.309 15.259 354 1HG LYS 51 2HG LYS 51 4.344 1.797 15.588 355 2HG LYS 51 3HG LYS 51 6.092 1.673 15.576 356 1HD LYS 51 2HD LYS 51 4.839 3.672 17.456 357 2HD LYS 51 3HD LYS 51 4.710 1.973 17.866 358 1HE LYS 51 2HE LYS 51 6.839 2.001 18.645 359 2HE LYS 51 3HE LYS 51 7.420 2.394 17.039 360 1HZ LYS 51 1HZ LYS 51 7.765 4.470 17.660 361 2HZ LYS 51 2HZ LYS 51 6.283 4.643 18.323 362 3HZ LYS 51 3HZ LYS 51 7.504 4.011 19.205 363 H ARG 52 HN ARG 52 4.206 2.895 11.083 364 HA ARG 52 HA ARG 52 1.896 4.516 11.578 365 1HB ARG 52 2HB ARG 52 4.093 5.768 10.447 366 2HB ARG 52 3HB ARG 52 3.251 5.219 9.011 367 1HG ARG 52 2HG ARG 52 1.934 7.059 9.223 368 2HG ARG 52 3HG ARG 52 1.175 6.247 10.579 369 1HD ARG 52 2HD ARG 52 2.680 7.319 12.172 370 2HD ARG 52 3HD ARG 52 3.697 7.939 10.887 371 HE ARG 52 HE ARG 52 1.174 8.980 10.315 372 1HH1 ARG 52 1HH1 ARG 52 1.128 11.745 12.444 373 2HH1 ARG 52 2HH1 ARG 52 0.442 11.025 11.025 374 1HH2 ARG 52 1HH2 ARG 52 2.788 10.632 13.622 375 2HH2 ARG 52 2HH2 ARG 52 3.343 9.082 13.083 376 H CYS 53 HN CYS 53 1.325 4.762 8.648 377 HA CYS 53 HA CYS 53 0.117 3.591 7.213 378 1HB CYS 53 2HB CYS 53 1.438 1.539 6.261 379 2HB CYS 53 3HB CYS 53 2.040 3.167 6.015 380 H GLU 54 HN GLU 54 -0.568 3.081 9.968 381 HA GLU 54 HA GLU 54 -0.772 0.262 10.291 382 1HB GLU 54 2HB GLU 54 -1.931 0.812 12.385 383 2HB GLU 54 3HB GLU 54 -0.487 1.791 12.226 384 1HG GLU 54 2HG GLU 54 -1.672 3.751 12.041 385 2HG GLU 54 3HG GLU 54 -2.901 3.032 11.019 386 H THR 55 HN THR 55 -1.873 0.655 7.861 387 HA THR 55 HA THR 55 -4.740 0.307 8.393 388 HB THR 55 HB THR 55 -5.300 1.784 6.571 389 HG1 THR 55 1HG THR 55 -2.412 1.979 6.138 390 1HG2 THR 55 1HG2 THR 55 -4.487 3.083 8.576 391 2HG2 THR 55 2HG2 THR 55 -2.839 3.030 7.906 392 3HG2 THR 55 3HG2 THR 55 -4.123 3.913 7.044 393 H ALA 56 HN ALA 56 -2.271 0.088 5.737 394 HA ALA 56 HA ALA 56 -1.835 -1.534 4.298 395 1HB ALA 56 1HB ALA 56 -1.156 -3.040 5.910 396 2HB ALA 56 2HB ALA 56 -2.731 -3.031 6.738 397 3HB ALA 56 3HB ALA 56 -2.528 -3.944 5.224 398 H CYS 57 HN CYS 57 -4.591 -3.447 5.486 399 HA CYS 57 HA CYS 57 -6.588 -2.368 3.933 400 1HB CYS 57 2HB CYS 57 -4.731 -3.415 2.201 401 2HB CYS 57 3HB CYS 57 -5.820 -4.773 2.399 402 HA PRO 58 HA PRO 58 -7.602 -5.685 6.827 403 1HB PRO 58 2HB PRO 58 -9.491 -4.320 8.255 404 2HB PRO 58 3HB PRO 58 -7.801 -4.378 8.713 405 1HG PRO 58 2HG PRO 58 -9.310 -2.157 7.475 406 2HG PRO 58 3HG PRO 58 -7.773 -2.106 8.317 407 1HD PRO 58 2HD PRO 58 -8.181 -1.989 5.480 408 2HD PRO 58 3HD PRO 58 -6.642 -2.053 6.316 409 H THR 59 HN THR 59 -9.157 -7.271 6.746 410 HA THR 59 HA THR 59 -10.950 -8.313 5.942 411 HB THR 59 HB THR 59 -12.039 -5.476 5.545 412 HG1 THR 59 1HG THR 59 -11.978 -7.500 7.662 413 1HG2 THR 59 1HG2 THR 59 -13.627 -7.985 6.195 414 2HG2 THR 59 2HG2 THR 59 -14.213 -6.440 5.533 415 3HG2 THR 59 3HG2 THR 59 -13.293 -7.559 4.499 416 H ASP 60 HN ASP 60 -10.499 -5.381 3.845 417 HA ASP 60 HA ASP 60 -11.311 -6.220 1.533 418 1HB ASP 60 2HB ASP 60 -9.271 -4.425 2.432 419 2HB ASP 60 3HB ASP 60 -8.573 -5.321 1.097 420 H PHE 61 HN PHE 61 -8.166 -7.202 3.056 421 HA PHE 61 HA PHE 61 -8.257 -9.752 1.845 422 1HB PHE 61 2HB PHE 61 -6.922 -7.480 0.503 423 2HB PHE 61 3HB PHE 61 -5.750 -8.719 0.902 424 HD1 PHE 61 1HD PHE 61 -6.518 -11.185 0.252 425 HD2 PHE 61 2HD PHE 61 -8.014 -7.633 -1.523 426 HE1 PHE 61 1HE PHE 61 -7.207 -12.490 -1.778 427 HE2 PHE 61 2HE PHE 61 -8.703 -8.938 -3.554 428 HZ PHE 61 HZ PHE 61 -8.291 -11.351 -3.657 429 H LEU 62 HN LEU 62 -5.390 -7.640 2.480 430 HA LEU 62 HA LEU 62 -3.658 -7.986 3.835 431 1HB LEU 62 2HB LEU 62 -6.066 -7.593 5.383 432 2HB LEU 62 3HB LEU 62 -4.900 -8.532 6.291 433 HG LEU 62 HG LEU 62 -4.504 -5.776 5.104 434 1HD1 LEU 62 1HD1 LEU 62 -3.860 -5.763 7.814 435 2HD1 LEU 62 2HD1 LEU 62 -5.339 -5.121 7.058 436 3HD1 LEU 62 3HD1 LEU 62 -5.319 -6.778 7.707 437 1HD2 LEU 62 1HD2 LEU 62 -2.267 -6.077 6.511 438 2HD2 LEU 62 2HD2 LEU 62 -2.516 -7.781 6.061 439 3HD2 LEU 62 3HD2 LEU 62 -2.381 -6.536 4.796 440 H SER 63 HN SER 63 -2.781 -9.883 2.878 441 HA SER 63 HA SER 63 -3.735 -12.417 3.433 442 1HB SER 63 2HB SER 63 -1.328 -13.096 2.731 443 2HB SER 63 3HB SER 63 -2.308 -12.233 1.562 444 HG SER 63 HG SER 63 -0.726 -10.802 1.490 445 H ILE 64 HN ILE 64 -0.335 -12.095 4.250 446 HA ILE 64 HA ILE 64 -0.529 -11.747 7.005 447 HB ILE 64 HB ILE 64 -1.799 -13.905 6.772 448 1HG1 ILE 64 2HG1 ILE 64 -0.897 -13.202 8.902 449 2HG1 ILE 64 3HG1 ILE 64 -0.711 -14.936 8.725 450 1HG2 ILE 64 1HG2 ILE 64 0.345 -14.641 5.150 451 2HG2 ILE 64 2HG2 ILE 64 0.577 -15.572 6.649 452 3HG2 ILE 64 3HG2 ILE 64 -0.957 -15.694 5.754 453 1HD1 ILE 64 1HD1 ILE 64 1.438 -12.803 8.399 454 2HD1 ILE 64 2HD1 ILE 64 1.378 -14.121 9.593 455 3HD1 ILE 64 3HD1 ILE 64 1.670 -14.488 7.876 456 H ARG 65 HN ARG 65 1.198 -10.380 6.025 457 HA ARG 65 HA ARG 65 3.591 -11.975 5.580 458 1HB ARG 65 2HB ARG 65 2.587 -9.386 4.422 459 2HB ARG 65 3HB ARG 65 4.317 -9.508 4.668 460 1HG ARG 65 2HG ARG 65 3.800 -10.291 2.413 461 2HG ARG 65 3HG ARG 65 4.335 -11.660 3.367 462 1HD ARG 65 2HD ARG 65 1.951 -12.307 3.779 463 2HD ARG 65 3HD ARG 65 1.412 -10.934 2.832 464 HE ARG 65 HE ARG 65 3.027 -12.153 1.027 465 1HH1 ARG 65 1HH1 ARG 65 1.317 -15.050 0.096 466 2HH1 ARG 65 2HH1 ARG 65 2.521 -13.892 -0.366 467 1HH2 ARG 65 1HH2 ARG 65 0.219 -14.833 2.129 468 2HH2 ARG 65 2HH2 ARG 65 0.604 -13.514 3.185 469 H VAL 66 HN VAL 66 5.113 -11.889 7.206 470 HA VAL 66 HA VAL 66 4.796 -10.622 9.567 471 HB VAL 66 HB VAL 66 7.307 -11.366 8.066 472 1HG1 VAL 66 1HG1 VAL 66 6.988 -9.979 10.646 473 2HG1 VAL 66 2HG1 VAL 66 7.997 -11.443 10.723 474 3HG1 VAL 66 3HG1 VAL 66 8.414 -10.134 9.592 475 1HG2 VAL 66 1HG2 VAL 66 7.023 -13.103 10.172 476 2HG2 VAL 66 2HG2 VAL 66 5.330 -12.800 9.713 477 3HG2 VAL 66 3HG2 VAL 66 6.484 -13.415 8.504 478 H TYR 67 HN TYR 67 4.242 -8.502 9.821 479 HA TYR 67 HA TYR 67 6.196 -6.545 8.948 480 1HB TYR 67 2HB TYR 67 3.450 -7.047 7.850 481 2HB TYR 67 3HB TYR 67 3.693 -5.383 8.343 482 HD1 TYR 67 HD1 TYR 67 5.343 -3.955 7.197 483 HD2 TYR 67 HD2 TYR 67 4.640 -7.984 5.940 484 HE1 TYR 67 HE1 TYR 67 6.526 -3.482 4.996 485 HE2 TYR 67 HE2 TYR 67 5.825 -7.498 3.745 486 HH TYR 67 HH TYR 67 7.602 -5.865 2.983 487 H LEU 68 HN LEU 68 4.640 -4.241 9.523 488 HA LEU 68 HA LEU 68 5.042 -3.711 12.057 489 1HB LEU 68 2HB LEU 68 3.056 -2.842 10.087 490 2HB LEU 68 3HB LEU 68 2.559 -2.566 11.745 491 HG LEU 68 HG LEU 68 3.603 -0.581 11.204 492 1HD1 LEU 68 1HD1 LEU 68 5.210 -0.387 12.779 493 2HD1 LEU 68 2HD1 LEU 68 4.728 -2.058 13.159 494 3HD1 LEU 68 3HD1 LEU 68 6.158 -1.753 12.145 495 1HD2 LEU 68 1HD2 LEU 68 4.883 -2.115 9.194 496 2HD2 LEU 68 2HD2 LEU 68 4.830 -0.345 9.373 497 3HD2 LEU 68 3HD2 LEU 68 6.158 -1.275 10.111 498 H GLY 69 HN GLY 69 4.547 -4.487 14.041 499 1HA GLY 69 1HA GLY 69 3.377 -5.492 15.694 500 2HA GLY 69 2HA GLY 69 1.966 -5.544 14.656 501 H ALA 70 HN ALA 70 5.257 -6.925 14.052 502 HA ALA 70 HA ALA 70 4.595 -9.550 14.755 503 1HB ALA 70 1HB ALA 70 3.030 -9.323 12.827 504 2HB ALA 70 2HB ALA 70 4.416 -8.950 11.774 505 3HB ALA 70 3HB ALA 70 4.287 -10.550 12.543 506 H GLU 71 HN GLU 71 6.334 -7.604 12.225 507 HA GLU 71 HA GLU 71 8.576 -9.262 12.266 508 1HB GLU 71 2HB GLU 71 9.657 -7.456 10.970 509 2HB GLU 71 3HB GLU 71 8.039 -7.770 10.376 510 1HG GLU 71 2HG GLU 71 7.146 -5.798 11.417 511 2HG GLU 71 3HG GLU 71 8.544 -5.610 12.457 512 H THR 72 HN THR 72 10.825 -7.611 12.566 513 HA THR 72 HA THR 72 12.264 -7.306 14.294 514 HB THR 72 HB THR 72 11.213 -5.069 13.477 515 HG1 THR 72 1HG THR 72 12.216 -5.458 16.211 516 1HG2 THR 72 1HG2 THR 72 9.383 -5.743 15.643 517 2HG2 THR 72 2HG2 THR 72 10.300 -4.280 16.074 518 3HG2 THR 72 3HG2 THR 72 9.349 -4.325 14.569 519 H THR 73 HN THR 73 10.634 -9.454 14.988 520 HA THR 73 HA THR 73 10.060 -8.888 17.822 521 HB THR 73 HB THR 73 8.876 -10.780 15.751 522 HG1 THR 73 1HG THR 73 7.594 -9.256 17.852 523 1HG2 THR 73 1HG2 THR 73 7.554 -11.802 17.583 524 2HG2 THR 73 2HG2 THR 73 9.286 -12.121 17.848 525 3HG2 THR 73 3HG2 THR 73 8.460 -10.853 18.786 526 H ARG 74 HN ARG 74 11.540 -11.258 15.534 527 HA ARG 74 HA ARG 74 13.003 -12.251 17.845 528 1HB ARG 74 2HB ARG 74 13.333 -14.346 16.518 529 2HB ARG 74 3HB ARG 74 11.633 -13.989 16.745 530 1HG ARG 74 2HG ARG 74 12.935 -12.849 14.287 531 2HG ARG 74 3HG ARG 74 12.695 -14.585 14.318 532 1HD ARG 74 2HD ARG 74 10.297 -13.190 15.276 533 2HD ARG 74 3HD ARG 74 10.758 -12.610 13.688 534 HE ARG 74 HE ARG 74 9.841 -15.324 14.368 535 1HH1 ARG 74 1HH1 ARG 74 9.986 -16.359 11.039 536 2HH1 ARG 74 2HH1 ARG 74 9.431 -16.752 12.632 537 1HH2 ARG 74 1HH2 ARG 74 11.145 -14.383 10.668 538 2HH2 ARG 74 2HH2 ARG 74 11.456 -13.300 11.984 539 H SER 75 HN SER 75 13.150 -10.667 14.719 540 HA SER 75 HA SER 75 16.052 -10.963 14.752 541 1HB SER 75 2HB SER 75 14.538 -11.733 12.712 542 2HB SER 75 3HB SER 75 14.510 -10.024 12.326 543 HG SER 75 HG SER 75 16.773 -11.801 12.452 544 H MET 76 HN MET 76 14.103 -9.031 16.195 545 HA MET 76 HA MET 76 13.879 -6.604 15.244 546 1HB MET 76 2HB MET 76 14.527 -5.802 17.629 547 2HB MET 76 3HB MET 76 13.294 -7.046 17.548 548 1HG MET 76 2HG MET 76 15.406 -8.694 17.701 549 2HG MET 76 3HG MET 76 16.183 -7.290 18.408 550 1HE MET 76 1HE MET 76 15.062 -7.235 21.899 551 2HE MET 76 2HE MET 76 16.460 -7.685 20.891 552 3HE MET 76 3HE MET 76 15.576 -6.174 20.565 553 H GLY 77 HN GLY 77 16.990 -7.893 16.600 554 1HA GLY 77 1HA GLY 77 18.634 -6.642 14.740 555 2HA GLY 77 2HA GLY 77 18.486 -5.545 16.098 556 H LEU 78 HN LEU 78 18.126 -7.607 18.172 557 HA LEU 78 HA LEU 78 20.874 -8.638 18.179 558 1HB LEU 78 2HB LEU 78 20.806 -7.188 19.938 559 2HB LEU 78 3HB LEU 78 19.104 -7.458 20.257 560 HG LEU 78 HG LEU 78 20.676 -8.282 22.027 561 1HD1 LEU 78 1HD1 LEU 78 18.280 -9.235 21.304 562 2HD1 LEU 78 2HD1 LEU 78 19.250 -10.711 21.075 563 3HD1 LEU 78 3HD1 LEU 78 19.222 -9.901 22.661 564 1HD2 LEU 78 1HD2 LEU 78 21.768 -10.506 21.589 565 2HD2 LEU 78 2HD2 LEU 78 21.458 -10.240 19.856 566 3HD2 LEU 78 3HD2 LEU 78 22.506 -9.116 20.756 567 H ALA 79 HN ALA 79 17.546 -9.394 19.440 568 HA ALA 79 HA ALA 79 17.857 -11.948 20.168 569 1HB ALA 79 1HB ALA 79 15.452 -11.941 18.701 570 2HB ALA 79 2HB ALA 79 15.660 -11.542 20.423 571 3HB ALA 79 3HB ALA 79 15.701 -10.250 19.200 572 H TYR 80 HN TYR 80 17.947 -10.652 16.852 573 HA TYR 80 HA TYR 80 17.480 -12.697 15.237 574 1HB TYR 80 2HB TYR 80 18.880 -11.448 13.798 575 2HB TYR 80 3HB TYR 80 18.791 -10.296 15.117 576 HD1 TYR 80 HD1 TYR 80 20.906 -12.830 13.468 577 HD2 TYR 80 HD2 TYR 80 20.705 -9.867 16.547 578 HE1 TYR 80 HE1 TYR 80 23.435 -12.908 13.718 579 HE2 TYR 80 HE2 TYR 80 23.235 -9.956 16.787 580 HH TYR 80 HH TYR 80 25.161 -10.560 15.309 Start of MODEL 14 1 H SER 1 HN SER 1 7.340 -3.700 3.622 2 HA SER 1 HA SER 1 9.318 -4.802 5.275 3 1HB SER 1 2HB SER 1 9.668 -2.055 4.799 4 2HB SER 1 3HB SER 1 8.834 -2.101 6.340 5 HG SER 1 HG SER 1 10.482 -3.453 7.197 6 H HIS 2 HN HIS 2 8.397 -3.410 7.728 7 HA HIS 2 HA HIS 2 6.357 -4.940 8.512 8 1HB HIS 2 2HB HIS 2 6.466 -2.062 9.391 9 2HB HIS 2 3HB HIS 2 6.062 -3.486 10.331 10 HD1 HIS 2 HD1 HIS 2 8.273 -5.284 10.461 11 HD2 HIS 2 HD2 HIS 2 8.997 -1.192 9.893 12 HE1 HIS 2 HE1 HIS 2 10.697 -4.884 11.153 13 H SER 3 HN SER 3 4.140 -5.081 8.290 14 HA SER 3 HA SER 3 2.256 -4.876 7.199 15 1HB SER 3 2HB SER 3 1.010 -2.940 7.757 16 2HB SER 3 3HB SER 3 2.225 -3.039 9.015 17 HG SER 3 HG SER 3 2.611 -1.000 8.446 18 H VAL 4 HN VAL 4 1.240 -2.433 5.757 19 HA VAL 4 HA VAL 4 1.053 -2.134 3.513 20 HB VAL 4 HB VAL 4 2.616 -0.438 2.822 21 1HG1 VAL 4 1HG1 VAL 4 2.403 0.037 5.782 22 2HG1 VAL 4 2HG1 VAL 4 2.099 1.148 4.426 23 3HG1 VAL 4 3HG1 VAL 4 0.923 -0.133 4.807 24 1HG2 VAL 4 1HG2 VAL 4 4.781 -0.976 3.248 25 2HG2 VAL 4 2HG2 VAL 4 4.498 0.005 4.706 26 3HG2 VAL 4 3HG2 VAL 4 4.398 -1.771 4.794 27 H LYS 5 HN LYS 5 1.484 -4.715 3.484 28 HA LYS 5 HA LYS 5 3.932 -5.602 2.476 29 1HB LYS 5 2HB LYS 5 2.434 -7.558 1.670 30 2HB LYS 5 3HB LYS 5 2.613 -7.268 3.390 31 1HG LYS 5 2HG LYS 5 0.421 -6.618 3.648 32 2HG LYS 5 3HG LYS 5 0.392 -5.738 2.133 33 1HD LYS 5 2HD LYS 5 -1.112 -7.622 1.895 34 2HD LYS 5 3HD LYS 5 0.294 -7.953 0.903 35 1HE LYS 5 2HE LYS 5 1.205 -9.496 2.528 36 2HE LYS 5 3HE LYS 5 0.083 -8.969 3.769 37 1HZ LYS 5 1HZ LYS 5 -0.820 -10.905 2.949 38 2HZ LYS 5 2HZ LYS 5 -1.684 -9.766 2.159 39 3HZ LYS 5 3HZ LYS 5 -0.485 -10.563 1.388 40 H ILE 6 HN ILE 6 3.918 -6.797 0.170 41 HA ILE 6 HA ILE 6 3.196 -4.679 -1.721 42 HB ILE 6 HB ILE 6 5.330 -6.806 -1.757 43 1HG1 ILE 6 2HG1 ILE 6 6.597 -4.476 -2.221 44 2HG1 ILE 6 3HG1 ILE 6 5.250 -3.866 -1.281 45 1HG2 ILE 6 1HG2 ILE 6 3.948 -5.716 -3.994 46 2HG2 ILE 6 2HG2 ILE 6 5.586 -5.018 -3.964 47 3HG2 ILE 6 3HG2 ILE 6 5.370 -6.785 -3.972 48 1HD1 ILE 6 1HD1 ILE 6 6.645 -4.408 0.474 49 2HD1 ILE 6 2HD1 ILE 6 5.888 -6.005 0.265 50 3HD1 ILE 6 3HD1 ILE 6 7.484 -5.677 -0.449 51 H TYR 7 HN TYR 7 0.919 -5.526 -1.555 52 HA TYR 7 HA TYR 7 0.630 -7.790 -3.406 53 1HB TYR 7 2HB TYR 7 -0.539 -7.122 -0.679 54 2HB TYR 7 3HB TYR 7 -1.613 -7.900 -1.824 55 HD1 TYR 7 HD1 TYR 7 1.954 -8.354 -0.712 56 HD2 TYR 7 HD2 TYR 7 -1.823 -10.184 -1.544 57 HE1 TYR 7 HE1 TYR 7 2.904 -10.624 -0.073 58 HE2 TYR 7 HE2 TYR 7 -0.860 -12.448 -0.901 59 HH TYR 7 HH TYR 7 1.119 -13.169 0.705 60 H ASP 8 HN ASP 8 -1.665 -7.829 -4.378 61 HA ASP 8 HA ASP 8 -2.174 -5.155 -5.276 62 1HB ASP 8 2HB ASP 8 -3.787 -6.329 -6.838 63 2HB ASP 8 3HB ASP 8 -2.127 -6.870 -6.978 64 H THR 9 HN THR 9 -2.829 -5.475 -2.536 65 HA THR 9 HA THR 9 -5.695 -6.014 -2.422 66 HB THR 9 HB THR 9 -4.385 -7.045 -0.667 67 HG1 THR 9 1HG THR 9 -6.338 -5.484 -0.220 68 1HG2 THR 9 1HG2 THR 9 -3.044 -5.504 0.905 69 2HG2 THR 9 2HG2 THR 9 -2.297 -5.798 -0.683 70 3HG2 THR 9 3HG2 THR 9 -3.145 -4.265 -0.369 71 H CYS 10 HN CYS 10 -6.668 -4.317 -3.521 72 HA CYS 10 HA CYS 10 -6.780 -1.903 -1.982 73 1HB CYS 10 2HB CYS 10 -4.803 -1.549 -3.508 74 2HB CYS 10 3HB CYS 10 -5.892 -1.686 -4.874 75 H ILE 11 HN ILE 11 -8.734 -0.692 -2.525 76 HA ILE 11 HA ILE 11 -10.549 -2.248 -4.230 77 HB ILE 11 HB ILE 11 -12.355 -1.391 -2.868 78 1HG1 ILE 11 2HG1 ILE 11 -11.280 -0.319 -0.581 79 2HG1 ILE 11 3HG1 ILE 11 -10.242 0.376 -1.809 80 1HG2 ILE 11 1HG2 ILE 11 -10.494 -2.387 -0.775 81 2HG2 ILE 11 2HG2 ILE 11 -12.120 -2.945 -1.237 82 3HG2 ILE 11 3HG2 ILE 11 -10.709 -3.404 -2.221 83 1HD1 ILE 11 1HD1 ILE 11 -13.198 0.734 -1.389 84 2HD1 ILE 11 2HD1 ILE 11 -11.963 1.934 -1.840 85 3HD1 ILE 11 3HD1 ILE 11 -12.586 0.796 -3.059 86 H GLY 12 HN GLY 12 -8.848 0.753 -3.761 87 1HA GLY 12 1HA GLY 12 -8.716 2.083 -5.814 88 2HA GLY 12 2HA GLY 12 -10.461 1.971 -5.924 89 H CYS 13 HN CYS 13 -8.638 2.383 -2.855 90 HA CYS 13 HA CYS 13 -9.867 5.036 -2.654 91 1HB CYS 13 2HB CYS 13 -10.672 4.458 -0.658 92 2HB CYS 13 3HB CYS 13 -10.099 2.823 -0.924 93 H THR 14 HN THR 14 -8.479 6.445 -0.980 94 HA THR 14 HA THR 14 -5.623 5.923 -1.440 95 HB THR 14 HB THR 14 -5.363 8.332 -2.011 96 HG1 THR 14 1HG THR 14 -7.562 9.423 -2.288 97 1HG2 THR 14 1HG2 THR 14 -5.843 7.012 -4.001 98 2HG2 THR 14 2HG2 THR 14 -7.563 6.877 -3.562 99 3HG2 THR 14 3HG2 THR 14 -6.897 8.445 -4.075 100 H GLN 15 HN GLN 15 -5.978 4.966 0.774 101 HA GLN 15 HA GLN 15 -6.014 7.133 2.727 102 1HB GLN 15 2HB GLN 15 -6.807 5.524 4.369 103 2HB GLN 15 3HB GLN 15 -7.838 5.430 2.955 104 1HG GLN 15 2HG GLN 15 -6.416 3.478 2.136 105 2HG GLN 15 3HG GLN 15 -5.556 3.528 3.663 106 1HE2 GLN 15 1HE2 GLN 15 -6.280 1.374 3.984 107 2HE2 GLN 15 2HE2 GLN 15 -7.866 1.033 4.592 108 H CYS 16 HN CYS 16 -4.485 3.967 1.848 109 HA CYS 16 HA CYS 16 -2.385 4.382 3.750 110 1HB CYS 16 2HB CYS 16 -1.589 2.246 3.125 111 2HB CYS 16 3HB CYS 16 -3.337 2.121 3.103 112 H VAL 17 HN VAL 17 -3.103 6.139 1.181 113 HA VAL 17 HA VAL 17 -0.367 6.143 0.107 114 HB VAL 17 HB VAL 17 -2.823 7.209 -1.276 115 1HG1 VAL 17 1HG1 VAL 17 -1.209 6.485 -3.261 116 2HG1 VAL 17 2HG1 VAL 17 -1.038 8.056 -2.442 117 3HG1 VAL 17 3HG1 VAL 17 0.035 6.703 -2.007 118 1HG2 VAL 17 1HG2 VAL 17 -2.798 5.053 -2.585 119 2HG2 VAL 17 2HG2 VAL 17 -1.705 4.391 -1.345 120 3HG2 VAL 17 3HG2 VAL 17 -3.350 4.906 -0.899 121 H ARG 18 HN ARG 18 -2.169 7.559 2.416 122 HA ARG 18 HA ARG 18 -1.155 10.202 1.732 123 1HB ARG 18 2HB ARG 18 -3.780 9.312 2.684 124 2HB ARG 18 3HB ARG 18 -3.092 10.469 3.806 125 1HG ARG 18 2HG ARG 18 -4.195 11.872 2.269 126 2HG ARG 18 3HG ARG 18 -2.548 11.898 1.670 127 1HD ARG 18 2HD ARG 18 -3.744 9.633 0.434 128 2HD ARG 18 3HD ARG 18 -4.966 10.886 0.366 129 HE ARG 18 HE ARG 18 -2.266 11.763 -0.424 130 1HH1 ARG 18 1HH1 ARG 18 -3.227 12.153 -3.756 131 2HH1 ARG 18 2HH1 ARG 18 -1.993 12.465 -2.582 132 1HH2 ARG 18 1HH2 ARG 18 -5.158 11.024 -3.138 133 2HH2 ARG 18 2HH2 ARG 18 -5.364 10.492 -1.501 134 H ALA 19 HN ALA 19 -2.030 8.000 4.496 135 HA ALA 19 HA ALA 19 -0.451 9.435 6.363 136 1HB ALA 19 1HB ALA 19 -2.266 8.218 7.248 137 2HB ALA 19 2HB ALA 19 -1.872 6.762 6.303 138 3HB ALA 19 3HB ALA 19 -0.851 7.231 7.683 139 H CYS 20 HN CYS 20 1.664 9.676 5.523 140 HA CYS 20 HA CYS 20 3.431 7.648 6.157 141 1HB CYS 20 2HB CYS 20 2.560 6.453 4.199 142 2HB CYS 20 3HB CYS 20 2.907 7.831 3.172 143 HA PRO 21 HA PRO 21 5.266 11.680 5.784 144 1HB PRO 21 2HB PRO 21 7.092 11.384 7.797 145 2HB PRO 21 3HB PRO 21 5.465 11.980 8.058 146 1HG PRO 21 2HG PRO 21 6.589 9.320 8.692 147 2HG PRO 21 3HG PRO 21 5.134 10.074 9.314 148 1HD PRO 21 2HD PRO 21 5.285 8.014 7.323 149 2HD PRO 21 3HD PRO 21 3.841 8.848 7.861 150 H LEU 22 HN LEU 22 7.264 8.818 6.330 151 HA LEU 22 HA LEU 22 9.493 9.860 5.011 152 1HB LEU 22 2HB LEU 22 8.549 7.139 5.812 153 2HB LEU 22 3HB LEU 22 9.929 7.278 4.740 154 HG LEU 22 HG LEU 22 10.331 9.083 6.923 155 1HD1 LEU 22 1HD1 LEU 22 10.433 7.401 8.779 156 2HD1 LEU 22 2HD1 LEU 22 8.789 7.852 8.267 157 3HD1 LEU 22 3HD1 LEU 22 9.486 6.298 7.752 158 1HD2 LEU 22 1HD2 LEU 22 12.417 8.255 6.827 159 2HD2 LEU 22 2HD2 LEU 22 11.865 6.563 6.872 160 3HD2 LEU 22 3HD2 LEU 22 11.840 7.467 5.339 161 H ASP 23 HN ASP 23 6.415 8.723 3.843 162 HA ASP 23 HA ASP 23 5.580 8.518 1.854 163 1HB ASP 23 2HB ASP 23 8.023 10.183 1.257 164 2HB ASP 23 3HB ASP 23 7.154 9.507 -0.106 165 H VAL 24 HN VAL 24 5.988 6.131 2.118 166 HA VAL 24 HA VAL 24 8.178 5.187 0.402 167 HB VAL 24 HB VAL 24 8.331 4.605 2.802 168 1HG1 VAL 24 1HG1 VAL 24 6.121 2.625 2.589 169 2HG1 VAL 24 2HG1 VAL 24 6.708 3.548 3.993 170 3HG1 VAL 24 3HG1 VAL 24 5.648 4.329 2.795 171 1HG2 VAL 24 1HG2 VAL 24 8.602 2.913 0.548 172 2HG2 VAL 24 2HG2 VAL 24 9.435 2.795 2.117 173 3HG2 VAL 24 3HG2 VAL 24 7.908 1.919 1.852 174 H LEU 25 HN LEU 25 4.703 5.006 1.240 175 HA LEU 25 HA LEU 25 4.117 2.922 -0.573 176 1HB LEU 25 2HB LEU 25 2.357 5.036 0.675 177 2HB LEU 25 3HB LEU 25 1.778 3.642 -0.216 178 HG LEU 25 HG LEU 25 3.497 2.612 1.775 179 1HD1 LEU 25 1HD1 LEU 25 2.762 5.114 2.649 180 2HD1 LEU 25 2HD1 LEU 25 1.524 4.067 3.383 181 3HD1 LEU 25 3HD1 LEU 25 3.250 3.750 3.682 182 1HD2 LEU 25 1HD2 LEU 25 1.765 1.225 2.134 183 2HD2 LEU 25 2HD2 LEU 25 0.595 2.554 2.317 184 3HD2 LEU 25 3HD2 LEU 25 1.079 2.011 0.692 185 H GLU 26 HN GLU 26 3.857 2.941 -2.751 186 HA GLU 26 HA GLU 26 3.388 5.532 -3.974 187 1HB GLU 26 2HB GLU 26 5.498 3.526 -4.883 188 2HB GLU 26 3HB GLU 26 5.044 4.967 -5.771 189 1HG GLU 26 2HG GLU 26 5.723 5.480 -2.922 190 2HG GLU 26 3HG GLU 26 7.056 4.837 -3.861 191 H MET 27 HN MET 27 3.347 4.738 -6.666 192 HA MET 27 HA MET 27 1.086 2.914 -6.584 193 1HB MET 27 2HB MET 27 0.688 3.921 -8.932 194 2HB MET 27 3HB MET 27 0.538 5.049 -7.598 195 1HG MET 27 2HG MET 27 2.686 6.033 -8.033 196 2HG MET 27 3HG MET 27 3.195 4.691 -9.039 197 1HE MET 27 1HE MET 27 3.565 6.983 -11.417 198 2HE MET 27 2HE MET 27 3.829 5.312 -10.863 199 3HE MET 27 3HE MET 27 2.777 5.630 -12.263 200 H VAL 28 HN VAL 28 1.099 0.954 -7.672 201 HA VAL 28 HA VAL 28 3.508 0.410 -9.268 202 HB VAL 28 HB VAL 28 3.425 -1.865 -8.461 203 1HG1 VAL 28 1HG1 VAL 28 4.849 -0.736 -7.066 204 2HG1 VAL 28 2HG1 VAL 28 3.593 0.400 -6.515 205 3HG1 VAL 28 3HG1 VAL 28 3.635 -1.262 -5.875 206 1HG2 VAL 28 1HG2 VAL 28 1.595 -2.796 -7.593 207 2HG2 VAL 28 2HG2 VAL 28 1.585 -1.617 -6.259 208 3HG2 VAL 28 3HG2 VAL 28 0.746 -1.243 -7.784 209 HA PRO 29 HA PRO 29 0.841 -0.852 -12.425 210 1HB PRO 29 2HB PRO 29 2.142 -2.947 -13.602 211 2HB PRO 29 3HB PRO 29 2.575 -1.272 -13.880 212 1HG PRO 29 2HG PRO 29 3.965 -3.297 -12.235 213 2HG PRO 29 3HG PRO 29 4.582 -1.783 -12.865 214 1HD PRO 29 2HD PRO 29 3.769 -2.315 -10.167 215 2HD PRO 29 3HD PRO 29 4.276 -0.772 -10.823 216 H TRP 30 HN TRP 30 -1.168 -1.494 -11.968 217 HA TRP 30 HA TRP 30 -1.358 -4.333 -11.231 218 1HB TRP 30 2HB TRP 30 -1.700 -3.020 -9.233 219 2HB TRP 30 3HB TRP 30 -2.878 -2.008 -10.044 220 HD1 TRP 30 HD1 TRP 30 -5.308 -2.690 -9.403 221 HE1 TRP 30 HE1 TRP 30 -6.647 -4.857 -8.711 222 HE3 TRP 30 HE3 TRP 30 -1.362 -5.879 -9.749 223 HZ2 TRP 30 HZ2 TRP 30 -5.922 -7.598 -8.393 224 HZ3 TRP 30 HZ3 TRP 30 -1.763 -8.284 -9.231 225 HH2 TRP 30 HH2 TRP 30 -3.949 -9.158 -8.572 226 H ASP 31 HN ASP 31 -3.842 -4.996 -11.592 227 HA ASP 31 HA ASP 31 -4.814 -3.606 -13.948 228 1HB ASP 31 2HB ASP 31 -3.441 -5.892 -14.287 229 2HB ASP 31 3HB ASP 31 -4.967 -6.621 -13.828 230 H GLY 32 HN GLY 32 -6.084 -2.946 -11.758 231 1HA GLY 32 1HA GLY 32 -8.564 -4.461 -11.784 232 2HA GLY 32 2HA GLY 32 -7.699 -4.454 -10.260 233 H CYS 33 HN CYS 33 -6.516 -1.753 -10.600 234 HA CYS 33 HA CYS 33 -8.707 -0.291 -9.564 235 1HB CYS 33 2HB CYS 33 -5.920 -0.115 -9.417 236 2HB CYS 33 3HB CYS 33 -6.386 1.324 -10.301 237 HG CYS 33 HG CYS 33 -8.617 1.423 -8.438 238 H LYS 34 HN LYS 34 -9.066 2.077 -10.521 239 HA LYS 34 HA LYS 34 -10.084 1.726 -13.123 240 1HB LYS 34 2HB LYS 34 -10.092 3.778 -11.028 241 2HB LYS 34 3HB LYS 34 -10.064 4.453 -12.644 242 1HG LYS 34 2HG LYS 34 -11.936 2.158 -12.292 243 2HG LYS 34 3HG LYS 34 -12.344 3.582 -11.356 244 1HD LYS 34 2HD LYS 34 -11.700 3.726 -14.333 245 2HD LYS 34 3HD LYS 34 -13.325 3.441 -13.743 246 1HE LYS 34 2HE LYS 34 -13.619 5.641 -13.243 247 2HE LYS 34 3HE LYS 34 -12.130 5.699 -12.322 248 1HZ LYS 34 1HZ LYS 34 -11.032 6.522 -14.056 249 2HZ LYS 34 2HZ LYS 34 -11.757 5.557 -15.156 250 3HZ LYS 34 3HZ LYS 34 -12.500 6.920 -14.649 251 H ALA 35 HN ALA 35 -6.961 2.645 -11.846 252 HA ALA 35 HA ALA 35 -6.175 3.493 -14.551 253 1HB ALA 35 1HB ALA 35 -5.747 4.655 -11.899 254 2HB ALA 35 2HB ALA 35 -4.214 4.364 -12.756 255 3HB ALA 35 3HB ALA 35 -5.478 5.366 -13.509 256 H GLY 36 HN GLY 36 -6.429 0.749 -13.127 257 1HA GLY 36 1HA GLY 36 -5.214 -1.133 -12.848 258 2HA GLY 36 2HA GLY 36 -4.411 -0.611 -14.315 259 H GLN 37 HN GLN 37 -4.404 0.572 -10.872 260 HA GLN 37 HA GLN 37 -1.626 -0.121 -10.698 261 1HB GLN 37 2HB GLN 37 -1.005 2.225 -9.948 262 2HB GLN 37 3HB GLN 37 -1.351 2.065 -11.658 263 1HG GLN 37 2HG GLN 37 -2.866 3.738 -11.420 264 2HG GLN 37 3HG GLN 37 -3.870 2.612 -10.528 265 1HE2 GLN 37 1HE2 GLN 37 -4.353 3.044 -8.507 266 2HE2 GLN 37 2HE2 GLN 37 -3.584 4.207 -7.478 267 H ILE 38 HN ILE 38 -1.370 -1.057 -8.719 268 HA ILE 38 HA ILE 38 -3.359 -0.428 -6.685 269 HB ILE 38 HB ILE 38 -2.782 -2.785 -7.503 270 1HG1 ILE 38 2HG1 ILE 38 -2.588 -3.278 -4.749 271 2HG1 ILE 38 3HG1 ILE 38 -3.418 -1.739 -4.866 272 1HG2 ILE 38 1HG2 ILE 38 -0.456 -2.888 -7.525 273 2HG2 ILE 38 2HG2 ILE 38 -0.304 -2.106 -5.933 274 3HG2 ILE 38 3HG2 ILE 38 -0.897 -3.781 -6.049 275 1HD1 ILE 38 1HD1 ILE 38 -4.986 -2.776 -6.570 276 2HD1 ILE 38 2HD1 ILE 38 -4.204 -4.343 -6.250 277 3HD1 ILE 38 3HD1 ILE 38 -5.087 -3.507 -4.951 278 H ALA 39 HN ALA 39 -2.873 0.555 -4.743 279 HA ALA 39 HA ALA 39 -0.373 1.952 -4.659 280 1HB ALA 39 1HB ALA 39 -2.861 1.835 -2.931 281 2HB ALA 39 2HB ALA 39 -1.421 2.760 -2.443 282 3HB ALA 39 3HB ALA 39 -2.277 3.173 -3.949 283 H SER 40 HN SER 40 1.405 0.686 -4.238 284 HA SER 40 HA SER 40 1.259 -0.797 -1.741 285 1HB SER 40 2HB SER 40 2.742 -1.806 -4.204 286 2HB SER 40 3HB SER 40 2.509 -2.656 -2.690 287 HG SER 40 HG SER 40 0.141 -2.536 -3.159 288 H SER 41 HN SER 41 3.950 -1.686 -1.674 289 HA SER 41 HA SER 41 5.377 0.852 -1.856 290 1HB SER 41 2HB SER 41 4.849 -0.806 0.448 291 2HB SER 41 3HB SER 41 6.574 -0.837 0.140 292 HG SER 41 HG SER 41 5.936 0.942 1.533 293 HA PRO 42 HA PRO 42 7.678 -2.082 -4.349 294 1HB PRO 42 2HB PRO 42 8.472 -0.312 -6.274 295 2HB PRO 42 3HB PRO 42 6.998 -1.253 -6.387 296 1HG PRO 42 2HG PRO 42 7.321 1.617 -5.752 297 2HG PRO 42 3HG PRO 42 5.884 0.764 -6.283 298 1HD PRO 42 2HD PRO 42 6.477 1.636 -3.614 299 2HD PRO 42 3HD PRO 42 5.097 0.683 -4.124 300 H ARG 43 HN ARG 43 8.972 1.210 -4.253 301 HA ARG 43 HA ARG 43 11.500 0.013 -3.564 302 1HB ARG 43 2HB ARG 43 10.848 2.955 -4.089 303 2HB ARG 43 3HB ARG 43 12.447 2.240 -4.043 304 1HG ARG 43 2HG ARG 43 10.306 1.339 -6.020 305 2HG ARG 43 3HG ARG 43 11.442 2.624 -6.382 306 1HD ARG 43 2HD ARG 43 12.853 0.992 -7.116 307 2HD ARG 43 3HD ARG 43 13.116 0.598 -5.429 308 HE ARG 43 HE ARG 43 10.812 -0.794 -5.985 309 1HH1 ARG 43 1HH1 ARG 43 11.982 -3.536 -7.798 310 2HH1 ARG 43 2HH1 ARG 43 10.691 -2.916 -6.824 311 1HH2 ARG 43 1HH2 ARG 43 13.834 -2.212 -8.251 312 2HH2 ARG 43 2HH2 ARG 43 13.926 -0.604 -7.614 313 H THR 44 HN THR 44 10.876 -0.613 -1.343 314 HA THR 44 HA THR 44 10.226 1.566 0.472 315 HB THR 44 HB THR 44 10.533 -1.458 0.866 316 HG1 THR 44 1HG THR 44 8.237 0.357 0.660 317 1HG2 THR 44 1HG2 THR 44 10.652 -0.366 3.048 318 2HG2 THR 44 2HG2 THR 44 9.366 0.780 2.597 319 3HG2 THR 44 3HG2 THR 44 8.980 -0.940 2.841 320 H GLU 45 HN GLU 45 12.836 1.571 -0.925 321 HA GLU 45 HA GLU 45 14.811 0.622 0.755 322 1HB GLU 45 2HB GLU 45 16.323 2.021 -0.522 323 2HB GLU 45 3HB GLU 45 15.109 1.396 -1.622 324 1HG GLU 45 2HG GLU 45 13.904 3.494 -1.646 325 2HG GLU 45 3HG GLU 45 14.805 4.112 -0.275 326 H ASP 46 HN ASP 46 12.639 3.352 1.038 327 HA ASP 46 HA ASP 46 14.216 4.244 3.323 328 1HB ASP 46 2HB ASP 46 12.838 5.776 1.133 329 2HB ASP 46 3HB ASP 46 12.743 6.458 2.744 330 H CYS 47 HN CYS 47 13.031 3.335 5.041 331 HA CYS 47 HA CYS 47 10.666 4.371 5.860 332 1HB CYS 47 2HB CYS 47 9.255 3.563 4.239 333 2HB CYS 47 3HB CYS 47 10.232 2.144 3.919 334 H VAL 48 HN VAL 48 11.805 4.161 7.844 335 HA VAL 48 HA VAL 48 12.575 1.462 8.637 336 HB VAL 48 HB VAL 48 13.727 2.608 10.472 337 1HG1 VAL 48 1HG1 VAL 48 15.380 3.889 9.039 338 2HG1 VAL 48 2HG1 VAL 48 15.030 2.225 8.513 339 3HG1 VAL 48 3HG1 VAL 48 14.287 3.602 7.664 340 1HG2 VAL 48 1HG2 VAL 48 12.091 4.528 10.605 341 2HG2 VAL 48 2HG2 VAL 48 13.809 4.986 10.690 342 3HG2 VAL 48 3HG2 VAL 48 12.899 5.222 9.179 343 H GLY 49 HN GLY 49 9.870 1.563 8.384 344 1HA GLY 49 1HA GLY 49 7.889 1.480 9.475 345 2HA GLY 49 2HA GLY 49 8.836 0.675 10.709 346 H CYS 50 HN CYS 50 7.761 3.923 9.554 347 HA CYS 50 HA CYS 50 8.545 5.181 11.985 348 1HB CYS 50 2HB CYS 50 7.681 7.186 11.048 349 2HB CYS 50 3HB CYS 50 8.451 6.318 9.735 350 H LYS 51 HN LYS 51 5.728 3.492 10.663 351 HA LYS 51 HA LYS 51 3.921 2.718 11.708 352 1HB LYS 51 2HB LYS 51 5.418 2.766 13.795 353 2HB LYS 51 3HB LYS 51 4.625 4.274 14.202 354 1HG LYS 51 2HG LYS 51 2.412 3.167 14.165 355 2HG LYS 51 3HG LYS 51 3.141 1.665 13.635 356 1HD LYS 51 2HD LYS 51 3.930 1.143 15.735 357 2HD LYS 51 3HD LYS 51 4.353 2.802 16.106 358 1HE LYS 51 2HE LYS 51 1.503 1.696 16.093 359 2HE LYS 51 3HE LYS 51 2.472 1.937 17.531 360 1HZ LYS 51 1HZ LYS 51 1.300 3.931 15.777 361 2HZ LYS 51 2HZ LYS 51 1.328 3.875 17.409 362 3HZ LYS 51 3HZ LYS 51 2.666 4.317 16.586 363 H ARG 52 HN ARG 52 3.515 4.525 9.865 364 HA ARG 52 HA ARG 52 1.730 6.437 11.143 365 1HB ARG 52 2HB ARG 52 3.764 7.467 10.003 366 2HB ARG 52 3HB ARG 52 3.197 6.807 8.482 367 1HG ARG 52 2HG ARG 52 1.883 8.632 8.208 368 2HG ARG 52 3HG ARG 52 0.951 8.147 9.611 369 1HD ARG 52 2HD ARG 52 3.450 9.354 10.493 370 2HD ARG 52 3HD ARG 52 2.662 10.428 9.355 371 HE ARG 52 HE ARG 52 1.671 9.658 12.015 372 1HH1 ARG 52 1HH1 ARG 52 -1.158 11.677 11.712 373 2HH1 ARG 52 2HH1 ARG 52 -0.187 10.736 12.793 374 1HH2 ARG 52 1HH2 ARG 52 -0.574 11.843 9.472 375 2HH2 ARG 52 2HH2 ARG 52 0.836 11.026 8.882 376 H CYS 53 HN CYS 53 2.421 4.303 8.322 377 HA CYS 53 HA CYS 53 0.215 4.718 6.805 378 1HB CYS 53 2HB CYS 53 0.468 2.093 6.408 379 2HB CYS 53 3HB CYS 53 1.624 3.250 5.779 380 H GLU 54 HN GLU 54 0.368 1.702 8.787 381 HA GLU 54 HA GLU 54 -1.301 0.549 9.650 382 1HB GLU 54 2HB GLU 54 -0.459 1.967 11.520 383 2HB GLU 54 3HB GLU 54 -1.672 3.178 11.154 384 1HG GLU 54 2HG GLU 54 -2.986 0.606 11.392 385 2HG GLU 54 3HG GLU 54 -1.950 0.828 12.787 386 H THR 55 HN THR 55 -2.232 1.238 7.212 387 HA THR 55 HA THR 55 -5.034 1.331 7.603 388 HB THR 55 HB THR 55 -4.363 3.782 7.934 389 HG1 THR 55 1HG THR 55 -5.895 2.822 5.626 390 1HG2 THR 55 1HG2 THR 55 -3.580 3.389 5.005 391 2HG2 THR 55 2HG2 THR 55 -4.024 4.979 5.673 392 3HG2 THR 55 3HG2 THR 55 -2.598 4.116 6.299 393 H ALA 56 HN ALA 56 -2.903 -0.324 6.399 394 HA ALA 56 HA ALA 56 -2.787 -0.057 3.654 395 1HB ALA 56 1HB ALA 56 -1.396 -1.584 5.008 396 2HB ALA 56 2HB ALA 56 -2.829 -2.584 5.355 397 3HB ALA 56 3HB ALA 56 -2.214 -2.458 3.690 398 H CYS 57 HN CYS 57 -4.841 -2.528 5.346 399 HA CYS 57 HA CYS 57 -7.263 -1.751 4.386 400 1HB CYS 57 2HB CYS 57 -5.665 -2.740 2.214 401 2HB CYS 57 3HB CYS 57 -6.959 -3.883 2.513 402 HA PRO 58 HA PRO 58 -8.241 -5.380 6.595 403 1HB PRO 58 2HB PRO 58 -10.574 -6.296 5.507 404 2HB PRO 58 3HB PRO 58 -10.501 -4.940 6.615 405 1HG PRO 58 2HG PRO 58 -10.906 -4.922 3.686 406 2HG PRO 58 3HG PRO 58 -11.246 -3.656 4.849 407 1HD PRO 58 2HD PRO 58 -9.022 -3.773 3.043 408 2HD PRO 58 3HD PRO 58 -9.301 -2.569 4.285 409 H THR 59 HN THR 59 -8.796 -7.808 6.610 410 HA THR 59 HA THR 59 -6.833 -9.001 4.934 411 HB THR 59 HB THR 59 -8.997 -10.218 6.729 412 HG1 THR 59 1HG THR 59 -6.175 -9.509 7.112 413 1HG2 THR 59 1HG2 THR 59 -7.404 -11.632 5.031 414 2HG2 THR 59 2HG2 THR 59 -6.248 -11.382 6.362 415 3HG2 THR 59 3HG2 THR 59 -7.791 -12.213 6.668 416 H ASP 60 HN ASP 60 -9.994 -7.950 4.303 417 HA ASP 60 HA ASP 60 -11.209 -9.877 2.940 418 1HB ASP 60 2HB ASP 60 -11.186 -6.994 2.932 419 2HB ASP 60 3HB ASP 60 -11.256 -7.519 1.261 420 H PHE 61 HN PHE 61 -8.173 -8.243 2.156 421 HA PHE 61 HA PHE 61 -8.078 -9.726 -0.378 422 1HB PHE 61 2HB PHE 61 -7.808 -6.904 0.285 423 2HB PHE 61 3HB PHE 61 -6.227 -7.474 -0.208 424 HD1 PHE 61 1HD PHE 61 -8.738 -5.710 -1.454 425 HD2 PHE 61 2HD PHE 61 -6.747 -9.353 -2.330 426 HE1 PHE 61 1HE PHE 61 -9.413 -5.499 -3.862 427 HE2 PHE 61 2HE PHE 61 -7.422 -9.144 -4.738 428 HZ PHE 61 HZ PHE 61 -8.746 -7.218 -5.476 429 H LEU 62 HN LEU 62 -5.717 -7.875 1.669 430 HA LEU 62 HA LEU 62 -3.572 -9.493 1.181 431 1HB LEU 62 2HB LEU 62 -2.694 -8.596 3.351 432 2HB LEU 62 3HB LEU 62 -3.206 -7.412 2.165 433 HG LEU 62 HG LEU 62 -5.489 -7.575 3.570 434 1HD1 LEU 62 1HD1 LEU 62 -4.202 -9.302 5.067 435 2HD1 LEU 62 2HD1 LEU 62 -3.526 -7.837 5.818 436 3HD1 LEU 62 3HD1 LEU 62 -5.287 -8.097 5.799 437 1HD2 LEU 62 1HD2 LEU 62 -3.533 -5.861 4.942 438 2HD2 LEU 62 2HD2 LEU 62 -3.535 -5.702 3.170 439 3HD2 LEU 62 3HD2 LEU 62 -5.039 -5.443 4.087 440 H SER 63 HN SER 63 -2.953 -11.524 1.733 441 HA SER 63 HA SER 63 -4.799 -13.126 3.115 442 1HB SER 63 2HB SER 63 -2.216 -13.474 1.699 443 2HB SER 63 3HB SER 63 -2.456 -14.612 3.010 444 HG SER 63 HG SER 63 -4.178 -14.163 0.730 445 H ILE 64 HN ILE 64 -1.254 -12.794 3.839 446 HA ILE 64 HA ILE 64 -1.481 -11.706 6.354 447 HB ILE 64 HB ILE 64 -2.739 -13.465 7.191 448 1HG1 ILE 64 2HG1 ILE 64 0.075 -14.352 7.861 449 2HG1 ILE 64 3HG1 ILE 64 -0.618 -12.864 8.476 450 1HG2 ILE 64 1HG2 ILE 64 -2.697 -15.043 5.427 451 2HG2 ILE 64 2HG2 ILE 64 -0.946 -15.309 5.601 452 3HG2 ILE 64 3HG2 ILE 64 -2.064 -15.883 6.862 453 1HD1 ILE 64 1HD1 ILE 64 -1.379 -14.186 10.180 454 2HD1 ILE 64 2HD1 ILE 64 -2.653 -14.645 9.025 455 3HD1 ILE 64 3HD1 ILE 64 -1.214 -15.676 9.220 456 H ARG 65 HN ARG 65 0.390 -10.652 5.642 457 HA ARG 65 HA ARG 65 2.667 -12.434 5.301 458 1HB ARG 65 2HB ARG 65 2.186 -11.070 3.286 459 2HB ARG 65 3HB ARG 65 2.208 -9.600 4.240 460 1HG ARG 65 2HG ARG 65 4.526 -9.586 4.440 461 2HG ARG 65 3HG ARG 65 4.651 -11.333 4.419 462 1HD ARG 65 2HD ARG 65 3.762 -11.003 1.889 463 2HD ARG 65 3HD ARG 65 4.471 -9.414 2.101 464 HE ARG 65 HE ARG 65 6.281 -11.504 2.997 465 1HH1 ARG 65 1HH1 ARG 65 8.251 -11.394 0.119 466 2HH1 ARG 65 2HH1 ARG 65 8.147 -11.949 1.756 467 1HH2 ARG 65 1HH2 ARG 65 6.494 -10.197 -0.814 468 2HH2 ARG 65 2HH2 ARG 65 5.079 -9.860 0.127 469 H VAL 66 HN VAL 66 1.886 -9.011 6.301 470 HA VAL 66 HA VAL 66 3.020 -9.362 8.866 471 HB VAL 66 HB VAL 66 5.079 -9.343 7.500 472 1HG1 VAL 66 1HG1 VAL 66 4.056 -6.617 6.661 473 2HG1 VAL 66 2HG1 VAL 66 5.764 -7.102 6.518 474 3HG1 VAL 66 3HG1 VAL 66 4.508 -7.994 5.627 475 1HG2 VAL 66 1HG2 VAL 66 6.293 -7.791 8.869 476 2HG2 VAL 66 2HG2 VAL 66 4.829 -6.825 9.173 477 3HG2 VAL 66 3HG2 VAL 66 4.971 -8.464 9.855 478 H TYR 67 HN TYR 67 2.649 -7.487 10.207 479 HA TYR 67 HA TYR 67 1.586 -5.111 9.036 480 1HB TYR 67 2HB TYR 67 -0.220 -6.868 10.792 481 2HB TYR 67 3HB TYR 67 -0.706 -5.458 9.873 482 HD1 TYR 67 HD1 TYR 67 -0.910 -5.594 7.384 483 HD2 TYR 67 HD2 TYR 67 -0.124 -9.050 9.781 484 HE1 TYR 67 HE1 TYR 67 -1.605 -7.099 5.456 485 HE2 TYR 67 HE2 TYR 67 -0.822 -10.542 7.845 486 HH TYR 67 HH TYR 67 -2.508 -10.078 5.732 487 H LEU 68 HN LEU 68 1.229 -3.428 10.634 488 HA LEU 68 HA LEU 68 3.039 -3.229 12.586 489 1HB LEU 68 2HB LEU 68 0.492 -1.960 11.945 490 2HB LEU 68 3HB LEU 68 0.865 -1.886 13.655 491 HG LEU 68 HG LEU 68 1.638 0.106 12.480 492 1HD1 LEU 68 1HD1 LEU 68 3.757 -1.701 13.643 493 2HD1 LEU 68 2HD1 LEU 68 4.093 -0.021 13.163 494 3HD1 LEU 68 3HD1 LEU 68 2.879 -0.363 14.420 495 1HD2 LEU 68 1HD2 LEU 68 2.364 -1.676 10.447 496 2HD2 LEU 68 2HD2 LEU 68 2.629 0.084 10.492 497 3HD2 LEU 68 3HD2 LEU 68 3.899 -1.023 11.066 498 H GLY 69 HN GLY 69 -0.124 -4.907 12.795 499 1HA GLY 69 1HA GLY 69 0.014 -5.391 15.597 500 2HA GLY 69 2HA GLY 69 -1.039 -6.165 14.430 501 H ALA 70 HN ALA 70 2.553 -6.025 15.030 502 HA ALA 70 HA ALA 70 2.586 -8.874 15.455 503 1HB ALA 70 1HB ALA 70 4.401 -7.897 13.271 504 2HB ALA 70 2HB ALA 70 3.724 -9.519 13.548 505 3HB ALA 70 3HB ALA 70 2.700 -8.232 12.869 506 H GLU 71 HN GLU 71 4.439 -5.824 14.849 507 HA GLU 71 HA GLU 71 6.609 -6.752 16.424 508 1HB GLU 71 2HB GLU 71 5.936 -4.333 14.824 509 2HB GLU 71 3HB GLU 71 6.994 -4.032 16.189 510 1HG GLU 71 2HG GLU 71 8.238 -6.234 15.246 511 2HG GLU 71 3HG GLU 71 7.477 -5.736 13.749 512 H THR 72 HN THR 72 4.071 -4.174 16.802 513 HA THR 72 HA THR 72 4.812 -3.744 19.546 514 HB THR 72 HB THR 72 4.010 -1.912 18.065 515 HG1 THR 72 1HG THR 72 2.120 -1.400 19.598 516 1HG2 THR 72 1HG2 THR 72 2.392 -2.925 16.592 517 2HG2 THR 72 2HG2 THR 72 1.517 -3.670 17.952 518 3HG2 THR 72 3HG2 THR 72 1.434 -1.911 17.697 519 H THR 73 HN THR 73 3.345 -6.315 18.079 520 HA THR 73 HA THR 73 1.039 -6.706 19.623 521 HB THR 73 HB THR 73 2.985 -8.536 18.139 522 HG1 THR 73 1HG THR 73 0.867 -8.529 16.838 523 1HG2 THR 73 1HG2 THR 73 1.169 -9.418 20.107 524 2HG2 THR 73 2HG2 THR 73 0.244 -9.534 18.590 525 3HG2 THR 73 3HG2 THR 73 1.793 -10.395 18.757 526 H ARG 74 HN ARG 74 4.375 -8.062 20.097 527 HA ARG 74 HA ARG 74 3.582 -8.397 22.878 528 1HB ARG 74 2HB ARG 74 5.364 -10.180 22.968 529 2HB ARG 74 3HB ARG 74 4.087 -10.553 21.826 530 1HG ARG 74 2HG ARG 74 6.452 -9.022 20.771 531 2HG ARG 74 3HG ARG 74 6.716 -10.706 21.178 532 1HD ARG 74 2HD ARG 74 4.288 -9.983 19.523 533 2HD ARG 74 3HD ARG 74 5.858 -10.004 18.744 534 HE ARG 74 HE ARG 74 5.793 -12.408 20.135 535 1HH1 ARG 74 1HH1 ARG 74 3.903 -14.388 17.970 536 2HH1 ARG 74 2HH1 ARG 74 5.048 -14.388 19.270 537 1HH2 ARG 74 1HH2 ARG 74 3.126 -12.379 17.107 538 2HH2 ARG 74 2HH2 ARG 74 3.691 -10.878 17.764 539 H SER 75 HN SER 75 5.841 -6.986 20.569 540 HA SER 75 HA SER 75 7.828 -6.430 22.526 541 1HB SER 75 2HB SER 75 7.789 -6.571 19.758 542 2HB SER 75 3HB SER 75 7.844 -4.839 20.019 543 HG SER 75 HG SER 75 9.610 -6.254 21.669 544 H MET 76 HN MET 76 4.783 -5.104 21.636 545 HA MET 76 HA MET 76 3.711 -3.283 22.144 546 1HB MET 76 2HB MET 76 5.479 -3.816 24.367 547 2HB MET 76 3HB MET 76 5.448 -2.076 24.155 548 1HG MET 76 2HG MET 76 2.827 -3.588 24.102 549 2HG MET 76 3HG MET 76 3.600 -3.302 25.648 550 1HE MET 76 1HE MET 76 2.693 -0.814 26.948 551 2HE MET 76 2HE MET 76 4.345 -1.321 26.521 552 3HE MET 76 3HE MET 76 3.799 0.333 26.155 553 H GLY 77 HN GLY 77 7.008 -2.017 22.977 554 1HA GLY 77 1HA GLY 77 7.318 -0.592 20.529 555 2HA GLY 77 2HA GLY 77 6.709 0.456 21.795 556 H LEU 78 HN LEU 78 8.006 -0.924 24.050 557 HA LEU 78 HA LEU 78 10.730 0.010 23.531 558 1HB LEU 78 2HB LEU 78 9.989 1.248 25.284 559 2HB LEU 78 3HB LEU 78 8.916 -0.003 25.881 560 HG LEU 78 HG LEU 78 10.902 0.596 27.338 561 1HD1 LEU 78 1HD1 LEU 78 9.661 -1.898 26.805 562 2HD1 LEU 78 2HD1 LEU 78 11.387 -2.214 27.104 563 3HD1 LEU 78 3HD1 LEU 78 10.422 -1.334 28.313 564 1HD2 LEU 78 1HD2 LEU 78 12.313 -0.189 24.914 565 2HD2 LEU 78 2HD2 LEU 78 12.893 0.695 26.346 566 3HD2 LEU 78 3HD2 LEU 78 12.875 -1.085 26.346 567 H ALA 79 HN ALA 79 8.802 -2.703 24.934 568 HA ALA 79 HA ALA 79 10.747 -4.333 25.835 569 1HB ALA 79 1HB ALA 79 8.066 -4.534 25.329 570 2HB ALA 79 2HB ALA 79 8.722 -5.670 24.126 571 3HB ALA 79 3HB ALA 79 9.090 -5.893 25.852 572 H TYR 80 HN TYR 80 10.072 -3.416 22.473 573 HA TYR 80 HA TYR 80 11.592 -5.505 21.300 574 1HB TYR 80 2HB TYR 80 10.873 -4.367 19.354 575 2HB TYR 80 3HB TYR 80 9.754 -3.646 20.494 576 HD1 TYR 80 HD1 TYR 80 11.460 -1.719 21.941 577 HD2 TYR 80 HD2 TYR 80 11.349 -2.710 17.781 578 HE1 TYR 80 HE1 TYR 80 12.363 0.586 21.361 579 HE2 TYR 80 HE2 TYR 80 12.252 -0.402 17.214 580 HH TYR 80 HH TYR 80 12.790 1.999 19.768 Start of MODEL 15 1 H SER 1 HN SER 1 -5.692 -3.599 11.753 2 HA SER 1 HA SER 1 -5.056 -5.552 13.674 3 1HB SER 1 2HB SER 1 -4.350 -6.862 11.554 4 2HB SER 1 3HB SER 1 -6.030 -6.376 11.683 5 HG SER 1 HG SER 1 -5.819 -5.118 9.959 6 H HIS 2 HN HIS 2 -2.944 -5.145 10.823 7 HA HIS 2 HA HIS 2 -0.851 -3.775 11.837 8 1HB HIS 2 2HB HIS 2 0.624 -5.914 12.422 9 2HB HIS 2 3HB HIS 2 -0.264 -5.014 13.634 10 HD1 HIS 2 HD1 HIS 2 -1.640 -7.645 11.212 11 HD2 HIS 2 HD2 HIS 2 -1.112 -7.000 15.323 12 HE1 HIS 2 HE1 HIS 2 -2.781 -9.598 12.393 13 H SER 3 HN SER 3 1.403 -5.040 10.862 14 HA SER 3 HA SER 3 2.452 -5.487 9.017 15 1HB SER 3 2HB SER 3 1.554 -7.697 9.057 16 2HB SER 3 3HB SER 3 -0.039 -7.159 8.564 17 HG SER 3 HG SER 3 1.814 -8.125 6.972 18 H VAL 4 HN VAL 4 2.562 -5.030 6.603 19 HA VAL 4 HA VAL 4 0.369 -3.666 5.402 20 HB VAL 4 HB VAL 4 1.086 -1.912 6.906 21 1HG1 VAL 4 1HG1 VAL 4 3.242 -1.998 7.559 22 2HG1 VAL 4 2HG1 VAL 4 3.774 -2.770 6.046 23 3HG1 VAL 4 3HG1 VAL 4 3.547 -1.006 6.113 24 1HG2 VAL 4 1HG2 VAL 4 0.918 -1.705 4.091 25 2HG2 VAL 4 2HG2 VAL 4 0.628 -0.432 5.302 26 3HG2 VAL 4 3HG2 VAL 4 2.249 -0.636 4.595 27 H LYS 5 HN LYS 5 2.170 -5.978 4.971 28 HA LYS 5 HA LYS 5 4.226 -5.452 3.225 29 1HB LYS 5 2HB LYS 5 2.622 -7.733 4.044 30 2HB LYS 5 3HB LYS 5 3.038 -7.835 2.346 31 1HG LYS 5 2HG LYS 5 5.282 -6.943 4.079 32 2HG LYS 5 3HG LYS 5 4.709 -8.558 4.441 33 1HD LYS 5 2HD LYS 5 4.813 -8.404 1.596 34 2HD LYS 5 3HD LYS 5 6.284 -7.638 2.161 35 1HE LYS 5 2HE LYS 5 6.635 -9.683 3.685 36 2HE LYS 5 3HE LYS 5 5.304 -10.447 2.839 37 1HZ LYS 5 1HZ LYS 5 7.296 -9.302 1.130 38 2HZ LYS 5 2HZ LYS 5 7.829 -10.546 2.042 39 3HZ LYS 5 3HZ LYS 5 6.556 -10.756 1.041 40 H ILE 6 HN ILE 6 4.368 -4.610 1.212 41 HA ILE 6 HA ILE 6 2.204 -3.476 -0.049 42 HB ILE 6 HB ILE 6 3.661 -2.896 -1.723 43 1HG1 ILE 6 2HG1 ILE 6 4.079 -5.268 -2.444 44 2HG1 ILE 6 3HG1 ILE 6 5.444 -4.182 -2.614 45 1HG2 ILE 6 1HG2 ILE 6 5.927 -3.493 0.063 46 2HG2 ILE 6 2HG2 ILE 6 5.318 -1.938 -0.554 47 3HG2 ILE 6 3HG2 ILE 6 4.540 -2.703 0.851 48 1HD1 ILE 6 1HD1 ILE 6 5.133 -5.787 -0.066 49 2HD1 ILE 6 2HD1 ILE 6 5.809 -6.551 -1.524 50 3HD1 ILE 6 3HD1 ILE 6 6.614 -5.135 -0.806 51 H TYR 7 HN TYR 7 0.634 -4.154 -1.454 52 HA TYR 7 HA TYR 7 0.940 -6.618 -2.890 53 1HB TYR 7 2HB TYR 7 -0.771 -6.209 -0.397 54 2HB TYR 7 3HB TYR 7 -1.417 -7.231 -1.666 55 HD1 TYR 7 HD1 TYR 7 0.670 -8.882 -2.619 56 HD2 TYR 7 HD2 TYR 7 0.099 -7.427 1.364 57 HE1 TYR 7 HE1 TYR 7 1.999 -10.846 -1.703 58 HE2 TYR 7 HE2 TYR 7 1.429 -9.397 2.266 59 HH TYR 7 HH TYR 7 3.447 -11.019 0.825 60 H ASP 8 HN ASP 8 -1.344 -7.136 -3.985 61 HA ASP 8 HA ASP 8 -2.066 -4.657 -5.211 62 1HB ASP 8 2HB ASP 8 -3.463 -6.158 -6.691 63 2HB ASP 8 3HB ASP 8 -1.759 -6.566 -6.669 64 H THR 9 HN THR 9 -2.853 -4.670 -2.498 65 HA THR 9 HA THR 9 -5.705 -5.368 -2.537 66 HB THR 9 HB THR 9 -4.439 -6.358 -0.694 67 HG1 THR 9 1HG THR 9 -6.519 -5.347 -0.184 68 1HG2 THR 9 1HG2 THR 9 -3.124 -3.695 -0.679 69 2HG2 THR 9 2HG2 THR 9 -3.648 -4.232 0.935 70 3HG2 THR 9 3HG2 THR 9 -2.540 -5.244 -0.024 71 H CYS 10 HN CYS 10 -6.540 -3.674 -3.784 72 HA CYS 10 HA CYS 10 -6.807 -1.246 -2.270 73 1HB CYS 10 2HB CYS 10 -4.705 -1.031 -3.775 74 2HB CYS 10 3HB CYS 10 -5.834 -0.945 -5.112 75 H ILE 11 HN ILE 11 -8.960 -0.691 -2.431 76 HA ILE 11 HA ILE 11 -10.427 -1.824 -4.707 77 HB ILE 11 HB ILE 11 -12.250 -2.135 -3.361 78 1HG1 ILE 11 2HG1 ILE 11 -12.223 0.262 -2.532 79 2HG1 ILE 11 3HG1 ILE 11 -12.855 -0.942 -1.427 80 1HG2 ILE 11 1HG2 ILE 11 -10.605 -3.707 -2.661 81 2HG2 ILE 11 2HG2 ILE 11 -9.815 -2.511 -1.606 82 3HG2 ILE 11 3HG2 ILE 11 -11.435 -3.125 -1.198 83 1HD1 ILE 11 1HD1 ILE 11 -11.392 0.432 -0.116 84 2HD1 ILE 11 2HD1 ILE 11 -10.488 -1.074 -0.411 85 3HD1 ILE 11 3HD1 ILE 11 -10.118 0.387 -1.359 86 H GLY 12 HN GLY 12 -9.343 1.083 -3.092 87 1HA GLY 12 1HA GLY 12 -9.383 3.023 -4.614 88 2HA GLY 12 2HA GLY 12 -11.083 2.682 -4.874 89 H CYS 13 HN CYS 13 -9.021 2.708 -1.877 90 HA CYS 13 HA CYS 13 -10.971 4.590 -0.764 91 1HB CYS 13 2HB CYS 13 -11.084 3.388 1.124 92 2HB CYS 13 3HB CYS 13 -10.356 2.087 0.203 93 H THR 14 HN THR 14 -9.789 5.877 1.174 94 HA THR 14 HA THR 14 -7.182 6.750 0.113 95 HB THR 14 HB THR 14 -7.832 8.991 0.663 96 HG1 THR 14 1HG THR 14 -9.865 7.516 2.176 97 1HG2 THR 14 1HG2 THR 14 -10.383 7.506 -0.162 98 2HG2 THR 14 2HG2 THR 14 -10.199 9.276 -0.178 99 3HG2 THR 14 3HG2 THR 14 -9.211 8.269 -1.263 100 H GLN 15 HN GLN 15 -6.557 4.750 1.500 101 HA GLN 15 HA GLN 15 -5.737 5.878 4.022 102 1HB GLN 15 2HB GLN 15 -6.781 4.376 5.410 103 2HB GLN 15 3HB GLN 15 -7.952 4.331 4.108 104 1HG GLN 15 2HG GLN 15 -6.740 2.363 3.111 105 2HG GLN 15 3HG GLN 15 -5.617 2.392 4.456 106 1HE2 GLN 15 1HE2 GLN 15 -6.501 0.142 4.540 107 2HE2 GLN 15 2HE2 GLN 15 -7.879 -0.157 5.546 108 H CYS 16 HN CYS 16 -3.718 5.058 4.747 109 HA CYS 16 HA CYS 16 -1.927 3.706 4.754 110 1HB CYS 16 2HB CYS 16 -1.842 1.687 3.726 111 2HB CYS 16 3HB CYS 16 -3.558 1.969 3.513 112 H VAL 17 HN VAL 17 -3.254 5.432 1.976 113 HA VAL 17 HA VAL 17 -0.542 5.963 0.997 114 HB VAL 17 HB VAL 17 -3.270 6.242 -0.271 115 1HG1 VAL 17 1HG1 VAL 17 -0.613 7.355 -1.051 116 2HG1 VAL 17 2HG1 VAL 17 -1.630 6.667 -2.341 117 3HG1 VAL 17 3HG1 VAL 17 -2.252 7.993 -1.327 118 1HG2 VAL 17 1HG2 VAL 17 -1.512 4.051 -0.066 119 2HG2 VAL 17 2HG2 VAL 17 -2.938 4.204 -1.121 120 3HG2 VAL 17 3HG2 VAL 17 -1.328 4.664 -1.726 121 H ARG 18 HN ARG 18 -2.077 7.086 3.451 122 HA ARG 18 HA ARG 18 -1.826 9.866 2.616 123 1HB ARG 18 2HB ARG 18 -3.963 8.462 4.078 124 2HB ARG 18 3HB ARG 18 -3.360 9.827 4.996 125 1HG ARG 18 2HG ARG 18 -5.193 10.580 3.554 126 2HG ARG 18 3HG ARG 18 -3.697 11.312 3.008 127 1HD ARG 18 2HD ARG 18 -3.928 8.802 1.634 128 2HD ARG 18 3HD ARG 18 -5.500 9.569 1.542 129 HE ARG 18 HE ARG 18 -2.947 10.677 0.478 130 1HH1 ARG 18 1HH1 ARG 18 -4.720 12.966 -1.470 131 2HH1 ARG 18 2HH1 ARG 18 -3.160 12.301 -1.115 132 1HH2 ARG 18 1HH2 ARG 18 -6.591 12.209 -0.326 133 2HH2 ARG 18 2HH2 ARG 18 -6.429 10.977 0.882 134 H ALA 19 HN ALA 19 -1.593 7.526 5.385 135 HA ALA 19 HA ALA 19 0.033 9.360 6.895 136 1HB ALA 19 1HB ALA 19 0.092 7.413 8.496 137 2HB ALA 19 2HB ALA 19 -1.548 7.955 8.071 138 3HB ALA 19 3HB ALA 19 -0.875 6.488 7.323 139 H CYS 20 HN CYS 20 1.649 9.581 5.066 140 HA CYS 20 HA CYS 20 3.781 7.724 5.576 141 1HB CYS 20 2HB CYS 20 2.476 6.672 3.693 142 2HB CYS 20 3HB CYS 20 2.836 8.081 2.715 143 HA PRO 21 HA PRO 21 5.124 11.969 5.082 144 1HB PRO 21 2HB PRO 21 7.055 11.917 7.013 145 2HB PRO 21 3HB PRO 21 5.395 12.379 7.331 146 1HG PRO 21 2HG PRO 21 6.778 9.856 8.010 147 2HG PRO 21 3HG PRO 21 5.291 10.504 8.671 148 1HD PRO 21 2HD PRO 21 5.536 8.385 6.754 149 2HD PRO 21 3HD PRO 21 4.049 9.112 7.329 150 H LEU 22 HN LEU 22 7.177 9.144 5.389 151 HA LEU 22 HA LEU 22 9.392 10.298 4.132 152 1HB LEU 22 2HB LEU 22 8.653 7.823 5.271 153 2HB LEU 22 3HB LEU 22 9.193 7.473 3.641 154 HG LEU 22 HG LEU 22 11.098 9.267 4.703 155 1HD1 LEU 22 1HD1 LEU 22 10.554 7.030 6.671 156 2HD1 LEU 22 2HD1 LEU 22 11.837 8.260 6.755 157 3HD1 LEU 22 3HD1 LEU 22 10.133 8.740 6.935 158 1HD2 LEU 22 1HD2 LEU 22 12.217 6.724 4.839 159 2HD2 LEU 22 2HD2 LEU 22 10.949 6.582 3.596 160 3HD2 LEU 22 3HD2 LEU 22 12.217 7.821 3.436 161 H ASP 23 HN ASP 23 6.276 9.373 2.937 162 HA ASP 23 HA ASP 23 5.396 9.388 0.955 163 1HB ASP 23 2HB ASP 23 7.889 10.993 0.501 164 2HB ASP 23 3HB ASP 23 7.094 10.395 -0.943 165 H VAL 24 HN VAL 24 5.881 6.929 1.274 166 HA VAL 24 HA VAL 24 7.754 6.025 -0.804 167 HB VAL 24 HB VAL 24 6.858 4.486 1.633 168 1HG1 VAL 24 1HG1 VAL 24 9.282 4.072 -0.144 169 2HG1 VAL 24 2HG1 VAL 24 8.651 2.985 1.118 170 3HG1 VAL 24 3HG1 VAL 24 7.726 3.239 -0.383 171 1HG2 VAL 24 1HG2 VAL 24 8.255 5.643 2.925 172 2HG2 VAL 24 2HG2 VAL 24 9.602 5.286 1.820 173 3HG2 VAL 24 3HG2 VAL 24 8.603 6.736 1.564 174 H LEU 25 HN LEU 25 4.676 5.235 0.955 175 HA LEU 25 HA LEU 25 3.806 3.327 -0.868 176 1HB LEU 25 2HB LEU 25 2.285 5.152 0.993 177 2HB LEU 25 3HB LEU 25 1.555 3.832 0.103 178 HG LEU 25 HG LEU 25 3.847 2.837 1.530 179 1HD1 LEU 25 1HD1 LEU 25 2.415 3.279 3.811 180 2HD1 LEU 25 2HD1 LEU 25 3.864 4.187 3.319 181 3HD1 LEU 25 3HD1 LEU 25 2.246 4.841 2.975 182 1HD2 LEU 25 1HD2 LEU 25 1.802 1.614 0.686 183 2HD2 LEU 25 2HD2 LEU 25 2.320 1.219 2.344 184 3HD2 LEU 25 3HD2 LEU 25 0.924 2.292 2.078 185 H GLU 26 HN GLU 26 3.737 3.677 -3.035 186 HA GLU 26 HA GLU 26 2.192 6.002 -3.856 187 1HB GLU 26 2HB GLU 26 4.698 5.021 -5.288 188 2HB GLU 26 3HB GLU 26 3.727 6.414 -5.722 189 1HG GLU 26 2HG GLU 26 4.536 7.713 -3.965 190 2HG GLU 26 3HG GLU 26 4.771 6.337 -2.907 191 H MET 27 HN MET 27 2.375 5.439 -6.689 192 HA MET 27 HA MET 27 0.600 3.174 -6.725 193 1HB MET 27 2HB MET 27 0.139 3.975 -9.064 194 2HB MET 27 3HB MET 27 -0.033 5.275 -7.901 195 1HG MET 27 2HG MET 27 1.559 6.486 -8.975 196 2HG MET 27 3HG MET 27 2.733 5.208 -8.729 197 1HE MET 27 1HE MET 27 1.923 6.861 -12.366 198 2HE MET 27 2HE MET 27 0.228 6.627 -11.872 199 3HE MET 27 3HE MET 27 1.384 7.389 -10.753 200 H VAL 28 HN VAL 28 0.964 1.227 -7.834 201 HA VAL 28 HA VAL 28 3.610 0.985 -9.089 202 HB VAL 28 HB VAL 28 4.091 -0.918 -7.948 203 1HG1 VAL 28 1HG1 VAL 28 2.201 0.272 -5.901 204 2HG1 VAL 28 2HG1 VAL 28 3.735 -0.587 -5.620 205 3HG1 VAL 28 3HG1 VAL 28 3.744 1.035 -6.355 206 1HG2 VAL 28 1HG2 VAL 28 1.939 -2.032 -6.654 207 2HG2 VAL 28 2HG2 VAL 28 1.195 -1.418 -8.149 208 3HG2 VAL 28 3HG2 VAL 28 2.567 -2.550 -8.236 209 HA PRO 29 HA PRO 29 1.572 -1.028 -12.338 210 1HB PRO 29 2HB PRO 29 3.014 -3.280 -12.906 211 2HB PRO 29 3HB PRO 29 3.515 -1.673 -13.393 212 1HG PRO 29 2HG PRO 29 4.581 -3.367 -11.217 213 2HG PRO 29 3HG PRO 29 5.319 -1.976 -11.986 214 1HD PRO 29 2HD PRO 29 4.062 -2.045 -9.409 215 2HD PRO 29 3HD PRO 29 4.697 -0.632 -10.228 216 H TRP 30 HN TRP 30 -0.486 -1.647 -12.190 217 HA TRP 30 HA TRP 30 -0.848 -4.341 -11.104 218 1HB TRP 30 2HB TRP 30 -1.325 -2.799 -9.282 219 2HB TRP 30 3HB TRP 30 -2.439 -1.902 -10.294 220 HD1 TRP 30 HD1 TRP 30 -4.905 -2.543 -9.763 221 HE1 TRP 30 HE1 TRP 30 -6.283 -4.644 -8.957 222 HE3 TRP 30 HE3 TRP 30 -0.929 -5.700 -9.480 223 HZ2 TRP 30 HZ2 TRP 30 -5.573 -7.329 -8.306 224 HZ3 TRP 30 HZ3 TRP 30 -1.358 -8.045 -8.751 225 HH2 TRP 30 HH2 TRP 30 -3.583 -8.875 -8.173 226 H ASP 31 HN ASP 31 -3.329 -4.949 -11.632 227 HA ASP 31 HA ASP 31 -4.056 -3.739 -14.161 228 1HB ASP 31 2HB ASP 31 -2.653 -6.037 -14.241 229 2HB ASP 31 3HB ASP 31 -4.220 -6.742 -13.893 230 H GLY 32 HN GLY 32 -5.490 -2.994 -12.076 231 1HA GLY 32 1HA GLY 32 -7.962 -4.523 -12.251 232 2HA GLY 32 2HA GLY 32 -7.231 -4.416 -10.661 233 H CYS 33 HN CYS 33 -6.035 -1.718 -11.112 234 HA CYS 33 HA CYS 33 -8.335 -0.225 -10.363 235 1HB CYS 33 2HB CYS 33 -5.488 0.032 -10.107 236 2HB CYS 33 3HB CYS 33 -6.109 1.499 -10.836 237 HG CYS 33 HG CYS 33 -6.565 0.126 -7.934 238 H LYS 34 HN LYS 34 -8.739 2.002 -11.482 239 HA LYS 34 HA LYS 34 -9.412 1.535 -14.148 240 1HB LYS 34 2HB LYS 34 -9.638 3.694 -12.186 241 2HB LYS 34 3HB LYS 34 -9.403 4.295 -13.815 242 1HG LYS 34 2HG LYS 34 -11.592 3.882 -14.228 243 2HG LYS 34 3HG LYS 34 -11.250 2.167 -14.104 244 1HD LYS 34 2HD LYS 34 -11.728 3.824 -11.602 245 2HD LYS 34 3HD LYS 34 -13.081 3.216 -12.535 246 1HE LYS 34 2HE LYS 34 -11.597 0.925 -12.357 247 2HE LYS 34 3HE LYS 34 -11.091 1.712 -10.875 248 1HZ LYS 34 1HZ LYS 34 -13.214 0.276 -10.938 249 2HZ LYS 34 2HZ LYS 34 -13.189 1.642 -10.043 250 3HZ LYS 34 3HZ LYS 34 -13.926 1.633 -11.500 251 H ALA 35 HN ALA 35 -6.435 2.574 -12.613 252 HA ALA 35 HA ALA 35 -5.370 3.223 -15.278 253 1HB ALA 35 1HB ALA 35 -5.401 5.150 -13.734 254 2HB ALA 35 2HB ALA 35 -4.488 4.206 -12.532 255 3HB ALA 35 3HB ALA 35 -3.734 4.638 -14.085 256 H GLY 36 HN GLY 36 -5.774 0.559 -13.863 257 1HA GLY 36 1HA GLY 36 -4.591 -1.283 -13.275 258 2HA GLY 36 2HA GLY 36 -3.636 -0.843 -14.677 259 H GLN 37 HN GLN 37 -3.994 0.613 -11.360 260 HA GLN 37 HA GLN 37 -1.235 -0.046 -10.862 261 1HB GLN 37 2HB GLN 37 -0.810 2.368 -10.105 262 2HB GLN 37 3HB GLN 37 -0.871 2.098 -11.835 263 1HG GLN 37 2HG GLN 37 -2.488 3.682 -11.965 264 2HG GLN 37 3HG GLN 37 -3.560 2.593 -11.108 265 1HE2 GLN 37 1HE2 GLN 37 -4.214 3.060 -9.120 266 2HE2 GLN 37 2HE2 GLN 37 -3.664 4.383 -8.146 267 H ILE 38 HN ILE 38 -1.107 -0.857 -8.813 268 HA ILE 38 HA ILE 38 -3.297 -0.177 -6.998 269 HB ILE 38 HB ILE 38 -2.593 -2.583 -7.758 270 1HG1 ILE 38 2HG1 ILE 38 -3.001 -2.875 -4.945 271 2HG1 ILE 38 3HG1 ILE 38 -3.903 -1.468 -5.472 272 1HG2 ILE 38 1HG2 ILE 38 -0.193 -2.134 -6.994 273 2HG2 ILE 38 2HG2 ILE 38 -0.812 -2.328 -5.337 274 3HG2 ILE 38 3HG2 ILE 38 -0.941 -3.671 -6.498 275 1HD1 ILE 38 1HD1 ILE 38 -4.059 -4.271 -6.667 276 2HD1 ILE 38 2HD1 ILE 38 -5.319 -3.439 -5.726 277 3HD1 ILE 38 3HD1 ILE 38 -4.885 -2.850 -7.348 278 H ALA 39 HN ALA 39 -2.927 1.310 -5.451 279 HA ALA 39 HA ALA 39 -0.473 2.524 -5.077 280 1HB ALA 39 1HB ALA 39 -1.746 3.046 -2.744 281 2HB ALA 39 2HB ALA 39 -2.180 3.827 -4.284 282 3HB ALA 39 3HB ALA 39 -3.117 2.431 -3.699 283 H SER 40 HN SER 40 1.355 1.400 -4.544 284 HA SER 40 HA SER 40 1.299 0.088 -1.988 285 1HB SER 40 2HB SER 40 1.959 -1.333 -4.589 286 2HB SER 40 3HB SER 40 2.643 -1.875 -3.070 287 HG SER 40 HG SER 40 0.510 -2.850 -3.838 288 H SER 41 HN SER 41 3.836 -0.910 -1.800 289 HA SER 41 HA SER 41 5.475 1.350 -2.646 290 1HB SER 41 2HB SER 41 5.182 -0.040 -0.027 291 2HB SER 41 3HB SER 41 6.836 0.298 -0.498 292 HG SER 41 HG SER 41 6.286 2.176 0.483 293 HA PRO 42 HA PRO 42 7.366 -2.176 -4.628 294 1HB PRO 42 2HB PRO 42 8.369 -0.825 -6.781 295 2HB PRO 42 3HB PRO 42 6.775 -1.551 -6.765 296 1HG PRO 42 2HG PRO 42 7.513 1.302 -6.541 297 2HG PRO 42 3HG PRO 42 5.960 0.599 -6.948 298 1HD PRO 42 2HD PRO 42 6.718 1.743 -4.430 299 2HD PRO 42 3HD PRO 42 5.208 0.935 -4.802 300 H ARG 43 HN ARG 43 8.976 0.972 -4.594 301 HA ARG 43 HA ARG 43 11.421 -0.455 -4.052 302 1HB ARG 43 2HB ARG 43 11.029 2.553 -4.431 303 2HB ARG 43 3HB ARG 43 12.544 1.678 -4.519 304 1HG ARG 43 2HG ARG 43 10.229 1.025 -6.384 305 2HG ARG 43 3HG ARG 43 11.368 2.302 -6.760 306 1HD ARG 43 2HD ARG 43 12.593 0.632 -7.743 307 2HD ARG 43 3HD ARG 43 13.107 0.264 -6.109 308 HE ARG 43 HE ARG 43 10.607 -1.053 -6.618 309 1HH1 ARG 43 1HH1 ARG 43 11.988 -4.115 -7.565 310 2HH1 ARG 43 2HH1 ARG 43 10.553 -3.298 -7.042 311 1HH2 ARG 43 1HH2 ARG 43 13.965 -2.930 -7.832 312 2HH2 ARG 43 2HH2 ARG 43 14.005 -1.229 -7.511 313 H THR 44 HN THR 44 10.796 -1.103 -1.832 314 HA THR 44 HA THR 44 10.406 1.062 0.071 315 HB THR 44 HB THR 44 10.289 -1.991 0.176 316 HG1 THR 44 1HG THR 44 8.387 0.159 0.756 317 1HG2 THR 44 1HG2 THR 44 10.691 -1.741 2.438 318 2HG2 THR 44 2HG2 THR 44 10.459 0.022 2.375 319 3HG2 THR 44 3HG2 THR 44 9.048 -1.059 2.466 320 H GLU 45 HN GLU 45 12.991 0.684 -1.457 321 HA GLU 45 HA GLU 45 14.937 -0.471 -0.017 322 1HB GLU 45 2HB GLU 45 16.477 1.000 -1.127 323 2HB GLU 45 3HB GLU 45 15.132 0.771 -2.228 324 1HG GLU 45 2HG GLU 45 14.177 2.933 -1.654 325 2HG GLU 45 3HG GLU 45 15.273 3.130 -0.301 326 H ASP 46 HN ASP 46 13.022 2.356 0.843 327 HA ASP 46 HA ASP 46 14.460 2.434 3.346 328 1HB ASP 46 2HB ASP 46 14.280 4.634 1.335 329 2HB ASP 46 3HB ASP 46 13.908 5.113 2.979 330 H CYS 47 HN CYS 47 12.623 1.638 4.488 331 HA CYS 47 HA CYS 47 10.683 3.327 5.308 332 1HB CYS 47 2HB CYS 47 9.537 3.635 3.333 333 2HB CYS 47 3HB CYS 47 9.917 2.039 2.717 334 H VAL 48 HN VAL 48 9.705 2.307 7.078 335 HA VAL 48 HA VAL 48 9.034 -0.402 7.138 336 HB VAL 48 HB VAL 48 11.455 -0.733 7.063 337 1HG1 VAL 48 1HG1 VAL 48 11.405 1.335 9.177 338 2HG1 VAL 48 2HG1 VAL 48 12.496 -0.036 9.488 339 3HG1 VAL 48 3HG1 VAL 48 12.675 0.924 7.999 340 1HG2 VAL 48 1HG2 VAL 48 11.663 -2.099 9.165 341 2HG2 VAL 48 2HG2 VAL 48 10.111 -1.407 9.698 342 3HG2 VAL 48 3HG2 VAL 48 10.183 -2.403 8.225 343 H GLY 49 HN GLY 49 7.453 1.618 7.711 344 1HA GLY 49 1HA GLY 49 6.053 2.355 9.316 345 2HA GLY 49 2HA GLY 49 6.838 1.285 10.461 346 H CYS 50 HN CYS 50 6.458 4.555 9.391 347 HA CYS 50 HA CYS 50 8.578 5.360 11.247 348 1HB CYS 50 2HB CYS 50 9.075 7.278 9.894 349 2HB CYS 50 3HB CYS 50 9.166 5.856 8.874 350 H LYS 51 HN LYS 51 5.460 6.246 9.604 351 HA LYS 51 HA LYS 51 4.644 7.494 12.131 352 1HB LYS 51 2HB LYS 51 5.283 8.995 9.998 353 2HB LYS 51 3HB LYS 51 3.623 8.632 9.572 354 1HG LYS 51 2HG LYS 51 2.743 9.752 11.432 355 2HG LYS 51 3HG LYS 51 4.170 9.481 12.411 356 1HD LYS 51 2HD LYS 51 4.085 11.364 10.007 357 2HD LYS 51 3HD LYS 51 3.870 11.886 11.666 358 1HE LYS 51 2HE LYS 51 6.292 10.214 11.256 359 2HE LYS 51 3HE LYS 51 6.312 11.710 10.344 360 1HZ LYS 51 1HZ LYS 51 5.729 11.562 13.219 361 2HZ LYS 51 2HZ LYS 51 7.199 11.910 12.598 362 3HZ LYS 51 3HZ LYS 51 5.942 12.920 12.337 363 H ARG 52 HN ARG 52 4.200 4.810 11.665 364 HA ARG 52 HA ARG 52 2.611 3.345 11.717 365 1HB ARG 52 2HB ARG 52 1.156 5.842 12.245 366 2HB ARG 52 3HB ARG 52 0.127 4.691 11.416 367 1HG ARG 52 2HG ARG 52 0.667 2.955 13.121 368 2HG ARG 52 3HG ARG 52 1.741 4.074 13.937 369 1HD ARG 52 2HD ARG 52 -0.021 5.387 14.767 370 2HD ARG 52 3HD ARG 52 -1.101 4.967 13.454 371 HE ARG 52 HE ARG 52 -0.373 2.709 15.199 372 1HH1 ARG 52 1HH1 ARG 52 -3.597 2.513 16.519 373 2HH1 ARG 52 2HH1 ARG 52 -2.060 1.728 16.390 374 1HH2 ARG 52 1HH2 ARG 52 -3.945 4.561 15.485 375 2HH2 ARG 52 2HH2 ARG 52 -2.668 5.304 14.582 376 H CYS 53 HN CYS 53 0.852 2.278 10.315 377 HA CYS 53 HA CYS 53 -0.144 3.238 8.009 378 1HB CYS 53 2HB CYS 53 1.509 2.236 6.294 379 2HB CYS 53 3HB CYS 53 1.858 3.816 6.968 380 H GLU 54 HN GLU 54 -0.795 1.434 10.081 381 HA GLU 54 HA GLU 54 -0.470 -1.189 8.901 382 1HB GLU 54 2HB GLU 54 -1.468 -0.243 11.616 383 2HB GLU 54 3HB GLU 54 -1.588 -1.915 11.106 384 1HG GLU 54 2HG GLU 54 0.870 -2.024 10.784 385 2HG GLU 54 3HG GLU 54 1.021 -0.328 11.197 386 H THR 55 HN THR 55 -2.049 0.490 7.332 387 HA THR 55 HA THR 55 -4.664 -0.779 7.668 388 HB THR 55 HB THR 55 -4.758 1.516 8.695 389 HG1 THR 55 1HG THR 55 -6.471 0.431 7.263 390 1HG2 THR 55 1HG2 THR 55 -3.029 2.618 7.207 391 2HG2 THR 55 2HG2 THR 55 -4.150 2.437 5.837 392 3HG2 THR 55 3HG2 THR 55 -4.584 3.483 7.210 393 H ALA 56 HN ALA 56 -2.519 -1.616 6.013 394 HA ALA 56 HA ALA 56 -2.400 -0.591 3.500 395 1HB ALA 56 1HB ALA 56 -0.953 -2.352 3.847 396 2HB ALA 56 2HB ALA 56 -2.167 -3.323 4.714 397 3HB ALA 56 3HB ALA 56 -2.225 -3.204 2.939 398 H CYS 57 HN CYS 57 -4.881 -2.856 4.855 399 HA CYS 57 HA CYS 57 -6.936 -1.759 3.362 400 1HB CYS 57 2HB CYS 57 -5.330 -3.453 1.753 401 2HB CYS 57 3HB CYS 57 -6.789 -4.357 2.105 402 HA PRO 58 HA PRO 58 -8.911 -4.333 6.269 403 1HB PRO 58 2HB PRO 58 -11.480 -4.388 5.338 404 2HB PRO 58 3HB PRO 58 -10.819 -3.043 6.246 405 1HG PRO 58 2HG PRO 58 -11.367 -3.231 3.348 406 2HG PRO 58 3HG PRO 58 -11.118 -1.799 4.328 407 1HD PRO 58 2HD PRO 58 -9.229 -3.001 2.535 408 2HD PRO 58 3HD PRO 58 -8.943 -1.640 3.601 409 H THR 59 HN THR 59 -7.315 -5.892 4.864 410 HA THR 59 HA THR 59 -7.032 -8.006 4.236 411 HB THR 59 HB THR 59 -9.823 -8.781 5.085 412 HG1 THR 59 1HG THR 59 -9.327 -8.118 7.204 413 1HG2 THR 59 1HG2 THR 59 -6.979 -9.794 5.439 414 2HG2 THR 59 2HG2 THR 59 -8.245 -10.291 6.587 415 3HG2 THR 59 3HG2 THR 59 -8.410 -10.679 4.857 416 H ASP 60 HN ASP 60 -9.240 -9.841 3.305 417 HA ASP 60 HA ASP 60 -10.521 -10.184 1.541 418 1HB ASP 60 2HB ASP 60 -10.690 -7.459 1.563 419 2HB ASP 60 3HB ASP 60 -9.785 -7.669 0.077 420 H PHE 61 HN PHE 61 -7.462 -8.315 1.019 421 HA PHE 61 HA PHE 61 -6.798 -10.158 -1.163 422 1HB PHE 61 2HB PHE 61 -6.164 -7.278 -0.396 423 2HB PHE 61 3HB PHE 61 -4.985 -8.143 -1.362 424 HD1 PHE 61 1HD PHE 61 -5.859 -9.239 -3.547 425 HD2 PHE 61 2HD PHE 61 -7.948 -6.207 -1.437 426 HE1 PHE 61 1HE PHE 61 -7.154 -8.685 -5.625 427 HE2 PHE 61 2HE PHE 61 -9.243 -5.653 -3.515 428 HZ PHE 61 HZ PHE 61 -8.830 -6.900 -5.584 429 H LEU 62 HN LEU 62 -5.128 -8.192 1.410 430 HA LEU 62 HA LEU 62 -2.990 -10.109 1.479 431 1HB LEU 62 2HB LEU 62 -1.829 -8.552 2.653 432 2HB LEU 62 3HB LEU 62 -2.924 -7.526 1.747 433 HG LEU 62 HG LEU 62 -3.842 -8.377 4.447 434 1HD1 LEU 62 1HD1 LEU 62 -1.672 -7.939 5.163 435 2HD1 LEU 62 2HD1 LEU 62 -1.440 -6.622 3.989 436 3HD1 LEU 62 3HD1 LEU 62 -2.503 -6.382 5.395 437 1HD2 LEU 62 1HD2 LEU 62 -4.106 -5.998 2.644 438 2HD2 LEU 62 2HD2 LEU 62 -5.360 -6.959 3.466 439 3HD2 LEU 62 3HD2 LEU 62 -4.371 -5.806 4.395 440 H SER 63 HN SER 63 -2.642 -11.720 2.971 441 HA SER 63 HA SER 63 -4.887 -12.208 4.724 442 1HB SER 63 2HB SER 63 -3.997 -14.486 4.910 443 2HB SER 63 3HB SER 63 -4.113 -14.030 3.221 444 HG SER 63 HG SER 63 -2.050 -14.578 3.108 445 H ILE 64 HN ILE 64 -3.193 -10.018 5.455 446 HA ILE 64 HA ILE 64 -1.814 -9.250 7.025 447 HB ILE 64 HB ILE 64 -3.456 -11.261 8.559 448 1HG1 ILE 64 2HG1 ILE 64 -4.418 -8.837 9.243 449 2HG1 ILE 64 3HG1 ILE 64 -3.855 -8.463 7.626 450 1HG2 ILE 64 1HG2 ILE 64 -2.493 -9.028 10.130 451 2HG2 ILE 64 2HG2 ILE 64 -2.403 -10.776 10.453 452 3HG2 ILE 64 3HG2 ILE 64 -1.142 -9.986 9.476 453 1HD1 ILE 64 1HD1 ILE 64 -6.003 -9.235 7.154 454 2HD1 ILE 64 2HD1 ILE 64 -5.085 -10.753 7.005 455 3HD1 ILE 64 3HD1 ILE 64 -5.991 -10.403 8.496 456 H ARG 65 HN ARG 65 0.240 -9.815 6.231 457 HA ARG 65 HA ARG 65 1.238 -12.414 6.773 458 1HB ARG 65 2HB ARG 65 1.949 -10.162 5.107 459 2HB ARG 65 3HB ARG 65 3.351 -10.559 6.081 460 1HG ARG 65 2HG ARG 65 3.490 -11.893 4.068 461 2HG ARG 65 3HG ARG 65 3.083 -12.986 5.376 462 1HD ARG 65 2HD ARG 65 0.645 -12.797 4.731 463 2HD ARG 65 3HD ARG 65 1.105 -11.782 3.379 464 HE ARG 65 HE ARG 65 1.832 -13.685 2.228 465 1HH1 ARG 65 1HH1 ARG 65 2.236 -16.982 3.300 466 2HH1 ARG 65 2HH1 ARG 65 2.223 -15.917 1.933 467 1HH2 ARG 65 1HH2 ARG 65 1.855 -16.141 5.429 468 2HH2 ARG 65 2HH2 ARG 65 1.559 -14.449 5.651 469 H VAL 66 HN VAL 66 0.749 -9.675 8.667 470 HA VAL 66 HA VAL 66 1.525 -8.948 10.603 471 HB VAL 66 HB VAL 66 2.622 -11.762 10.744 472 1HG1 VAL 66 1HG1 VAL 66 3.183 -11.477 12.953 473 2HG1 VAL 66 2HG1 VAL 66 3.543 -9.846 12.339 474 3HG1 VAL 66 3HG1 VAL 66 2.016 -10.156 13.197 475 1HG2 VAL 66 1HG2 VAL 66 0.478 -11.594 12.463 476 2HG2 VAL 66 2HG2 VAL 66 -0.045 -10.574 11.102 477 3HG2 VAL 66 3HG2 VAL 66 0.431 -12.265 10.814 478 H TYR 67 HN TYR 67 2.941 -7.287 10.323 479 HA TYR 67 HA TYR 67 5.756 -8.041 9.985 480 1HB TYR 67 2HB TYR 67 3.920 -6.623 8.213 481 2HB TYR 67 3HB TYR 67 5.072 -5.449 8.819 482 HD1 TYR 67 HD1 TYR 67 5.071 -8.928 7.397 483 HD2 TYR 67 HD2 TYR 67 7.012 -5.121 7.593 484 HE1 TYR 67 HE1 TYR 67 6.774 -9.700 5.675 485 HE2 TYR 67 HE2 TYR 67 8.709 -5.906 5.871 486 HH TYR 67 HH TYR 67 9.191 -9.059 5.124 487 H LEU 68 HN LEU 68 3.797 -5.002 10.367 488 HA LEU 68 HA LEU 68 5.557 -3.601 11.855 489 1HB LEU 68 2HB LEU 68 2.761 -3.519 11.251 490 2HB LEU 68 3HB LEU 68 2.982 -3.101 12.938 491 HG LEU 68 HG LEU 68 3.039 -1.055 11.816 492 1HD1 LEU 68 1HD1 LEU 68 5.093 -1.707 13.341 493 2HD1 LEU 68 2HD1 LEU 68 5.997 -1.492 11.822 494 3HD1 LEU 68 3HD1 LEU 68 5.032 -0.149 12.482 495 1HD2 LEU 68 1HD2 LEU 68 3.172 -1.884 9.537 496 2HD2 LEU 68 2HD2 LEU 68 4.371 -0.594 9.800 497 3HD2 LEU 68 3HD2 LEU 68 4.890 -2.297 9.761 498 H GLY 69 HN GLY 69 6.523 -3.782 13.809 499 1HA GLY 69 1HA GLY 69 7.148 -4.852 15.713 500 2HA GLY 69 2HA GLY 69 5.526 -4.408 16.205 501 H ALA 70 HN ALA 70 7.368 -6.980 14.439 502 HA ALA 70 HA ALA 70 5.886 -8.984 15.877 503 1HB ALA 70 1HB ALA 70 5.208 -8.212 13.123 504 2HB ALA 70 2HB ALA 70 5.614 -9.938 13.280 505 3HB ALA 70 3HB ALA 70 4.315 -9.234 14.274 506 H GLU 71 HN GLU 71 8.092 -8.271 13.084 507 HA GLU 71 HA GLU 71 9.439 -10.670 13.201 508 1HB GLU 71 2HB GLU 71 9.975 -7.947 12.065 509 2HB GLU 71 3HB GLU 71 11.354 -9.019 12.208 510 1HG GLU 71 2HG GLU 71 9.515 -10.755 11.141 511 2HG GLU 71 3HG GLU 71 8.943 -9.249 10.452 512 H THR 72 HN THR 72 10.755 -7.454 14.295 513 HA THR 72 HA THR 72 12.450 -7.051 15.729 514 HB THR 72 HB THR 72 11.713 -7.650 18.078 515 HG1 THR 72 1HG THR 72 10.887 -9.801 17.160 516 1HG2 THR 72 1HG2 THR 72 10.480 -5.850 16.538 517 2HG2 THR 72 2HG2 THR 72 9.177 -7.062 16.522 518 3HG2 THR 72 3HG2 THR 72 9.727 -6.368 18.066 519 H THR 73 HN THR 73 13.926 -8.411 14.358 520 HA THR 73 HA THR 73 15.392 -10.124 16.087 521 HB THR 73 HB THR 73 13.613 -11.727 15.466 522 HG1 THR 73 1HG THR 73 15.191 -13.138 14.150 523 1HG2 THR 73 1HG2 THR 73 14.498 -11.641 12.582 524 2HG2 THR 73 2HG2 THR 73 12.943 -12.171 13.266 525 3HG2 THR 73 3HG2 THR 73 13.300 -10.435 13.110 526 H ARG 74 HN ARG 74 14.715 -9.163 12.672 527 HA ARG 74 HA ARG 74 17.604 -9.014 12.365 528 1HB ARG 74 2HB ARG 74 17.190 -9.200 9.916 529 2HB ARG 74 3HB ARG 74 16.494 -10.561 10.773 530 1HG ARG 74 2HG ARG 74 14.412 -8.691 10.800 531 2HG ARG 74 3HG ARG 74 15.148 -8.423 9.233 532 1HD ARG 74 2HD ARG 74 14.537 -11.250 10.167 533 2HD ARG 74 3HD ARG 74 13.272 -10.260 9.467 534 HE ARG 74 HE ARG 74 15.460 -11.512 8.038 535 1HH1 ARG 74 1HH1 ARG 74 14.833 -9.841 5.039 536 2HH1 ARG 74 2HH1 ARG 74 15.660 -11.167 5.788 537 1HH2 ARG 74 1HH2 ARG 74 13.523 -8.418 6.321 538 2HH2 ARG 74 2HH2 ARG 74 13.371 -8.680 8.026 539 H SER 75 HN SER 75 14.518 -7.294 12.284 540 HA SER 75 HA SER 75 15.975 -4.897 11.481 541 1HB SER 75 2HB SER 75 14.004 -4.058 10.406 542 2HB SER 75 3HB SER 75 14.182 -5.715 9.865 543 HG SER 75 HG SER 75 12.428 -4.800 11.985 544 H MET 76 HN MET 76 15.041 -6.462 14.139 545 HA MET 76 HA MET 76 13.236 -5.204 15.568 546 1HB MET 76 2HB MET 76 14.499 -6.871 16.698 547 2HB MET 76 3HB MET 76 16.035 -6.174 16.220 548 1HG MET 76 2HG MET 76 15.683 -4.272 17.789 549 2HG MET 76 3HG MET 76 14.113 -4.910 18.236 550 1HE MET 76 1HE MET 76 16.963 -5.479 21.113 551 2HE MET 76 2HE MET 76 17.228 -4.368 19.747 552 3HE MET 76 3HE MET 76 15.665 -4.376 20.599 553 H GLY 77 HN GLY 77 16.681 -4.016 15.511 554 1HA GLY 77 1HA GLY 77 16.510 -1.471 14.886 555 2HA GLY 77 2HA GLY 77 15.757 -1.410 16.467 556 H LEU 78 HN LEU 78 18.462 -3.527 15.317 557 HA LEU 78 HA LEU 78 20.160 -2.193 17.310 558 1HB LEU 78 2HB LEU 78 19.806 -4.211 18.315 559 2HB LEU 78 3HB LEU 78 19.611 -5.074 16.801 560 HG LEU 78 HG LEU 78 21.660 -5.655 18.137 561 1HD1 LEU 78 1HD1 LEU 78 22.741 -6.284 16.259 562 2HD1 LEU 78 2HD1 LEU 78 21.270 -5.669 15.468 563 3HD1 LEU 78 3HD1 LEU 78 22.724 -4.646 15.562 564 1HD2 LEU 78 1HD2 LEU 78 22.434 -2.830 17.387 565 2HD2 LEU 78 2HD2 LEU 78 22.362 -3.567 19.007 566 3HD2 LEU 78 3HD2 LEU 78 23.617 -4.077 17.850 567 H ALA 79 HN ALA 79 20.290 -4.375 14.400 568 HA ALA 79 HA ALA 79 22.825 -3.222 13.668 569 1HB ALA 79 1HB ALA 79 22.802 -5.466 13.141 570 2HB ALA 79 2HB ALA 79 21.061 -5.475 12.771 571 3HB ALA 79 3HB ALA 79 22.217 -4.805 11.596 572 H TYR 80 HN TYR 80 19.375 -2.910 12.857 573 HA TYR 80 HA TYR 80 19.302 -1.856 10.415 574 1HB TYR 80 2HB TYR 80 17.348 -0.665 11.273 575 2HB TYR 80 3HB TYR 80 17.521 -2.062 12.315 576 HD1 TYR 80 HD1 TYR 80 19.459 -1.430 14.291 577 HD2 TYR 80 HD2 TYR 80 16.635 1.199 12.443 578 HE1 TYR 80 HE1 TYR 80 19.545 0.100 16.321 579 HE2 TYR 80 HE2 TYR 80 16.731 2.720 14.478 580 HH TYR 80 HH TYR 80 17.574 1.940 17.270 Start of MODEL 16 1 H SER 1 HN SER 1 -5.766 -4.333 7.802 2 HA SER 1 HA SER 1 -5.568 -3.049 10.256 3 1HB SER 1 2HB SER 1 -6.156 -5.343 11.179 4 2HB SER 1 3HB SER 1 -7.251 -4.735 9.954 5 HG SER 1 HG SER 1 -6.821 -6.470 8.794 6 H HIS 2 HN HIS 2 -3.791 -5.968 8.984 7 HA HIS 2 HA HIS 2 -1.521 -5.110 10.615 8 1HB HIS 2 2HB HIS 2 -2.381 -7.997 10.328 9 2HB HIS 2 3HB HIS 2 -1.092 -7.362 11.331 10 HD1 HIS 2 HD1 HIS 2 -4.676 -8.175 11.371 11 HD2 HIS 2 HD2 HIS 2 -2.080 -5.730 13.580 12 HE1 HIS 2 HE1 HIS 2 -5.897 -7.612 13.539 13 H SER 3 HN SER 3 0.561 -5.616 9.724 14 HA SER 3 HA SER 3 2.000 -5.819 8.115 15 1HB SER 3 2HB SER 3 1.998 -7.790 6.822 16 2HB SER 3 3HB SER 3 1.014 -8.222 8.207 17 HG SER 3 HG SER 3 0.239 -8.660 5.846 18 H VAL 4 HN VAL 4 2.472 -5.300 5.772 19 HA VAL 4 HA VAL 4 0.266 -4.386 4.180 20 HB VAL 4 HB VAL 4 0.551 -2.530 5.754 21 1HG1 VAL 4 1HG1 VAL 4 3.391 -2.944 5.118 22 2HG1 VAL 4 2HG1 VAL 4 2.882 -1.239 5.057 23 3HG1 VAL 4 3HG1 VAL 4 2.629 -2.190 6.539 24 1HG2 VAL 4 1HG2 VAL 4 1.263 -0.787 3.870 25 2HG2 VAL 4 2HG2 VAL 4 1.120 -2.227 2.834 26 3HG2 VAL 4 3HG2 VAL 4 -0.276 -1.679 3.794 27 H LYS 5 HN LYS 5 1.891 -6.470 3.611 28 HA LYS 5 HA LYS 5 4.335 -5.876 2.438 29 1HB LYS 5 2HB LYS 5 2.520 -8.128 2.642 30 2HB LYS 5 3HB LYS 5 3.212 -8.046 1.035 31 1HG LYS 5 2HG LYS 5 4.892 -7.835 3.574 32 2HG LYS 5 3HG LYS 5 4.577 -9.358 2.765 33 1HD LYS 5 2HD LYS 5 5.726 -6.999 1.230 34 2HD LYS 5 3HD LYS 5 6.771 -8.044 2.170 35 1HE LYS 5 2HE LYS 5 5.674 -10.026 0.889 36 2HE LYS 5 3HE LYS 5 5.011 -8.817 -0.194 37 1HZ LYS 5 1HZ LYS 5 7.768 -9.602 0.184 38 2HZ LYS 5 2HZ LYS 5 6.973 -9.228 -1.191 39 3HZ LYS 5 3HZ LYS 5 7.487 -8.039 -0.197 40 H ILE 6 HN ILE 6 4.228 -6.812 -0.218 41 HA ILE 6 HA ILE 6 2.955 -4.496 -1.462 42 HB ILE 6 HB ILE 6 4.942 -6.347 -2.749 43 1HG1 ILE 6 2HG1 ILE 6 6.050 -5.760 -0.728 44 2HG1 ILE 6 3HG1 ILE 6 6.714 -4.746 -1.994 45 1HG2 ILE 6 1HG2 ILE 6 4.863 -3.419 -3.248 46 2HG2 ILE 6 2HG2 ILE 6 5.141 -4.775 -4.367 47 3HG2 ILE 6 3HG2 ILE 6 3.486 -4.379 -3.843 48 1HD1 ILE 6 1HD1 ILE 6 6.222 -2.954 -0.698 49 2HD1 ILE 6 2HD1 ILE 6 4.501 -3.285 -1.009 50 3HD1 ILE 6 3HD1 ILE 6 5.291 -3.964 0.434 51 H TYR 7 HN TYR 7 0.808 -5.581 -1.140 52 HA TYR 7 HA TYR 7 0.407 -7.699 -3.142 53 1HB TYR 7 2HB TYR 7 -0.785 -6.862 -0.462 54 2HB TYR 7 3HB TYR 7 -1.837 -7.692 -1.590 55 HD1 TYR 7 HD1 TYR 7 -1.309 -10.036 -2.301 56 HD2 TYR 7 HD2 TYR 7 0.917 -8.040 0.759 57 HE1 TYR 7 HE1 TYR 7 -0.394 -12.268 -1.501 58 HE2 TYR 7 HE2 TYR 7 1.825 -10.280 1.549 59 HH TYR 7 HH TYR 7 0.722 -12.865 1.275 60 H ASP 8 HN ASP 8 -1.858 -7.655 -4.154 61 HA ASP 8 HA ASP 8 -2.216 -5.017 -5.180 62 1HB ASP 8 2HB ASP 8 -3.898 -6.131 -6.668 63 2HB ASP 8 3HB ASP 8 -2.326 -6.904 -6.723 64 H THR 9 HN THR 9 -2.832 -5.000 -2.447 65 HA THR 9 HA THR 9 -5.714 -5.372 -2.200 66 HB THR 9 HB THR 9 -4.341 -6.261 -0.390 67 HG1 THR 9 1HG THR 9 -6.277 -5.029 0.206 68 1HG2 THR 9 1HG2 THR 9 -2.305 -5.248 -0.039 69 2HG2 THR 9 2HG2 THR 9 -2.844 -3.730 -0.796 70 3HG2 THR 9 3HG2 THR 9 -3.226 -4.058 0.912 71 H CYS 10 HN CYS 10 -6.686 -3.771 -3.413 72 HA CYS 10 HA CYS 10 -6.651 -1.204 -2.169 73 1HB CYS 10 2HB CYS 10 -4.661 -1.182 -3.792 74 2HB CYS 10 3HB CYS 10 -5.843 -1.242 -5.085 75 H ILE 11 HN ILE 11 -8.846 -0.894 -2.025 76 HA ILE 11 HA ILE 11 -10.498 -1.973 -4.184 77 HB ILE 11 HB ILE 11 -12.245 -2.122 -2.671 78 1HG1 ILE 11 2HG1 ILE 11 -12.118 0.170 -1.792 79 2HG1 ILE 11 3HG1 ILE 11 -12.384 -1.011 -0.525 80 1HG2 ILE 11 1HG2 ILE 11 -9.687 -3.166 -1.930 81 2HG2 ILE 11 2HG2 ILE 11 -10.601 -2.775 -0.454 82 3HG2 ILE 11 3HG2 ILE 11 -11.304 -3.862 -1.674 83 1HD1 ILE 11 1HD1 ILE 11 -9.859 0.533 -1.169 84 2HD1 ILE 11 2HD1 ILE 11 -10.696 0.354 0.393 85 3HD1 ILE 11 3HD1 ILE 11 -9.764 -1.007 -0.279 86 H GLY 12 HN GLY 12 -8.811 0.733 -3.745 87 1HA GLY 12 1HA GLY 12 -9.057 2.687 -4.923 88 2HA GLY 12 2HA GLY 12 -10.758 2.349 -5.172 89 H CYS 13 HN CYS 13 -8.652 2.653 -2.217 90 HA CYS 13 HA CYS 13 -10.584 4.638 -1.260 91 1HB CYS 13 2HB CYS 13 -10.829 3.560 0.685 92 2HB CYS 13 3HB CYS 13 -10.096 2.176 -0.101 93 H THR 14 HN THR 14 -9.634 6.430 -0.031 94 HA THR 14 HA THR 14 -6.885 6.947 -0.859 95 HB THR 14 HB THR 14 -8.542 8.669 -1.377 96 HG1 THR 14 1HG THR 14 -7.113 10.141 -0.528 97 1HG2 THR 14 1HG2 THR 14 -10.371 8.459 0.116 98 2HG2 THR 14 2HG2 THR 14 -9.311 8.255 1.532 99 3HG2 THR 14 3HG2 THR 14 -9.512 9.863 0.794 100 H GLN 15 HN GLN 15 -6.328 5.075 0.724 101 HA GLN 15 HA GLN 15 -5.493 6.424 3.130 102 1HB GLN 15 2HB GLN 15 -6.660 5.167 4.631 103 2HB GLN 15 3HB GLN 15 -7.753 4.884 3.291 104 1HG GLN 15 2HG GLN 15 -6.232 2.863 2.685 105 2HG GLN 15 3HG GLN 15 -5.501 3.080 4.264 106 1HE2 GLN 15 1HE2 GLN 15 -6.434 0.790 4.227 107 2HE2 GLN 15 2HE2 GLN 15 -8.008 0.578 4.920 108 H CYS 16 HN CYS 16 -3.529 5.572 3.999 109 HA CYS 16 HA CYS 16 -1.773 4.195 4.144 110 1HB CYS 16 2HB CYS 16 -1.783 2.072 3.372 111 2HB CYS 16 3HB CYS 16 -3.470 2.405 3.030 112 H VAL 17 HN VAL 17 -3.015 5.779 1.278 113 HA VAL 17 HA VAL 17 -0.312 6.004 0.171 114 HB VAL 17 HB VAL 17 -2.926 6.815 -1.100 115 1HG1 VAL 17 1HG1 VAL 17 -1.370 6.175 -3.161 116 2HG1 VAL 17 2HG1 VAL 17 -1.308 7.786 -2.406 117 3HG1 VAL 17 3HG1 VAL 17 -0.080 6.563 -1.996 118 1HG2 VAL 17 1HG2 VAL 17 -2.958 4.660 -2.249 119 2HG2 VAL 17 2HG2 VAL 17 -1.505 4.143 -1.361 120 3HG2 VAL 17 3HG2 VAL 17 -3.029 4.425 -0.486 121 H ARG 18 HN ARG 18 -1.941 7.439 2.543 122 HA ARG 18 HA ARG 18 -1.119 10.087 1.650 123 1HB ARG 18 2HB ARG 18 -3.675 9.156 2.785 124 2HB ARG 18 3HB ARG 18 -2.996 10.464 3.733 125 1HG ARG 18 2HG ARG 18 -4.384 11.459 2.008 126 2HG ARG 18 3HG ARG 18 -2.714 11.806 1.606 127 1HD ARG 18 2HD ARG 18 -3.223 9.315 0.363 128 2HD ARG 18 3HD ARG 18 -4.694 10.232 0.108 129 HE ARG 18 HE ARG 18 -2.203 10.683 -1.218 130 1HH1 ARG 18 1HH1 ARG 18 -2.878 13.941 -2.272 131 2HH1 ARG 18 2HH1 ARG 18 -1.877 12.546 -2.501 132 1HH2 ARG 18 1HH2 ARG 18 -4.550 13.918 -0.662 133 2HH2 ARG 18 2HH2 ARG 18 -4.797 12.506 0.310 134 H ALA 19 HN ALA 19 -1.934 8.123 4.613 135 HA ALA 19 HA ALA 19 -0.308 9.684 6.314 136 1HB ALA 19 1HB ALA 19 -2.237 8.383 7.102 137 2HB ALA 19 2HB ALA 19 -1.441 6.871 6.603 138 3HB ALA 19 3HB ALA 19 -0.752 7.847 7.923 139 H CYS 20 HN CYS 20 1.737 9.855 5.194 140 HA CYS 20 HA CYS 20 3.552 7.865 5.986 141 1HB CYS 20 2HB CYS 20 2.639 6.616 4.078 142 2HB CYS 20 3HB CYS 20 2.976 7.961 3.006 143 HA PRO 21 HA PRO 21 5.353 11.898 5.452 144 1HB PRO 21 2HB PRO 21 7.190 11.693 7.465 145 2HB PRO 21 3HB PRO 21 5.561 12.291 7.711 146 1HG PRO 21 2HG PRO 21 6.703 9.664 8.447 147 2HG PRO 21 3HG PRO 21 5.245 10.435 9.044 148 1HD PRO 21 2HD PRO 21 5.398 8.297 7.139 149 2HD PRO 21 3HD PRO 21 3.952 9.145 7.648 150 H LEU 22 HN LEU 22 7.113 8.893 5.795 151 HA LEU 22 HA LEU 22 9.450 9.917 4.566 152 1HB LEU 22 2HB LEU 22 8.419 7.262 5.431 153 2HB LEU 22 3HB LEU 22 9.720 7.283 4.257 154 HG LEU 22 HG LEU 22 10.677 9.043 6.121 155 1HD1 LEU 22 1HD1 LEU 22 10.360 7.796 8.323 156 2HD1 LEU 22 2HD1 LEU 22 9.004 8.799 7.753 157 3HD1 LEU 22 3HD1 LEU 22 8.947 7.031 7.558 158 1HD2 LEU 22 1HD2 LEU 22 12.372 7.577 6.248 159 2HD2 LEU 22 2HD2 LEU 22 11.311 6.226 6.715 160 3HD2 LEU 22 3HD2 LEU 22 11.463 6.688 5.002 161 H ASP 23 HN ASP 23 6.338 8.778 3.420 162 HA ASP 23 HA ASP 23 5.481 8.611 1.437 163 1HB ASP 23 2HB ASP 23 6.517 10.827 1.006 164 2HB ASP 23 3HB ASP 23 8.012 10.056 0.518 165 H VAL 24 HN VAL 24 5.735 6.257 1.422 166 HA VAL 24 HA VAL 24 7.945 5.351 -0.291 167 HB VAL 24 HB VAL 24 8.264 4.736 2.072 168 1HG1 VAL 24 1HG1 VAL 24 6.764 3.500 3.335 169 2HG1 VAL 24 2HG1 VAL 24 5.671 4.561 2.414 170 3HG1 VAL 24 3HG1 VAL 24 5.909 2.872 1.906 171 1HG2 VAL 24 1HG2 VAL 24 7.713 2.533 0.071 172 2HG2 VAL 24 2HG2 VAL 24 9.271 3.271 0.509 173 3HG2 VAL 24 3HG2 VAL 24 8.427 2.217 1.670 174 H LEU 25 HN LEU 25 4.553 4.903 0.843 175 HA LEU 25 HA LEU 25 3.916 2.911 -1.026 176 1HB LEU 25 2HB LEU 25 2.154 4.900 0.412 177 2HB LEU 25 3HB LEU 25 1.585 3.496 -0.468 178 HG LEU 25 HG LEU 25 3.457 2.451 1.324 179 1HD1 LEU 25 1HD1 LEU 25 3.014 4.911 2.340 180 2HD1 LEU 25 2HD1 LEU 25 1.681 4.015 3.108 181 3HD1 LEU 25 3HD1 LEU 25 3.362 3.475 3.333 182 1HD2 LEU 25 1HD2 LEU 25 0.693 2.374 2.286 183 2HD2 LEU 25 2HD2 LEU 25 0.848 1.996 0.553 184 3HD2 LEU 25 3HD2 LEU 25 1.768 1.057 1.755 185 H GLU 26 HN GLU 26 3.830 3.044 -3.197 186 HA GLU 26 HA GLU 26 2.952 5.594 -4.291 187 1HB GLU 26 2HB GLU 26 5.264 3.914 -5.358 188 2HB GLU 26 3HB GLU 26 4.632 5.359 -6.120 189 1HG GLU 26 2HG GLU 26 5.463 5.548 -3.227 190 2HG GLU 26 3HG GLU 26 6.729 5.447 -4.434 191 H MET 27 HN MET 27 2.997 4.887 -7.027 192 HA MET 27 HA MET 27 0.872 2.926 -7.003 193 1HB MET 27 2HB MET 27 0.415 3.831 -9.297 194 2HB MET 27 3HB MET 27 0.497 5.127 -8.120 195 1HG MET 27 2HG MET 27 2.171 6.108 -9.297 196 2HG MET 27 3HG MET 27 3.177 4.690 -9.071 197 1HE MET 27 1HE MET 27 2.068 6.189 -12.960 198 2HE MET 27 2HE MET 27 1.371 6.894 -11.481 199 3HE MET 27 3HE MET 27 3.133 6.685 -11.621 200 H VAL 28 HN VAL 28 0.956 0.947 -8.089 201 HA VAL 28 HA VAL 28 3.460 0.398 -9.523 202 HB VAL 28 HB VAL 28 3.781 -1.574 -8.418 203 1HG1 VAL 28 1HG1 VAL 28 2.326 -0.235 -6.146 204 2HG1 VAL 28 2HG1 VAL 28 3.883 -1.097 -6.142 205 3HG1 VAL 28 3HG1 VAL 28 3.765 0.524 -6.868 206 1HG2 VAL 28 1HG2 VAL 28 0.807 -1.562 -7.953 207 2HG2 VAL 28 2HG2 VAL 28 1.830 -2.798 -8.723 208 3HG2 VAL 28 3HG2 VAL 28 1.866 -2.587 -6.956 209 HA PRO 29 HA PRO 29 0.950 -1.305 -12.606 210 1HB PRO 29 2HB PRO 29 2.235 -3.572 -13.427 211 2HB PRO 29 3HB PRO 29 2.737 -1.962 -13.901 212 1HG PRO 29 2HG PRO 29 3.978 -3.786 -11.933 213 2HG PRO 29 3HG PRO 29 4.674 -2.386 -12.723 214 1HD PRO 29 2HD PRO 29 3.715 -2.532 -10.025 215 2HD PRO 29 3HD PRO 29 4.304 -1.104 -10.852 216 H TRP 30 HN TRP 30 -1.098 -1.884 -12.290 217 HA TRP 30 HA TRP 30 -1.425 -4.591 -11.216 218 1HB TRP 30 2HB TRP 30 -1.736 -3.072 -9.352 219 2HB TRP 30 3HB TRP 30 -2.881 -2.116 -10.272 220 HD1 TRP 30 HD1 TRP 30 -5.327 -2.672 -9.575 221 HE1 TRP 30 HE1 TRP 30 -6.728 -4.731 -8.703 222 HE3 TRP 30 HE3 TRP 30 -1.469 -5.983 -9.618 223 HZ2 TRP 30 HZ2 TRP 30 -6.079 -7.453 -8.141 224 HZ3 TRP 30 HZ3 TRP 30 -1.938 -8.321 -8.892 225 HH2 TRP 30 HH2 TRP 30 -4.148 -9.075 -8.172 226 H ASP 31 HN ASP 31 -3.949 -5.151 -11.554 227 HA ASP 31 HA ASP 31 -4.843 -3.920 -14.018 228 1HB ASP 31 2HB ASP 31 -3.498 -6.214 -14.252 229 2HB ASP 31 3HB ASP 31 -5.002 -6.928 -13.704 230 H GLY 32 HN GLY 32 -6.119 -3.123 -11.873 231 1HA GLY 32 1HA GLY 32 -8.624 -4.601 -11.844 232 2HA GLY 32 2HA GLY 32 -7.774 -4.516 -10.314 233 H CYS 33 HN CYS 33 -6.549 -1.848 -10.842 234 HA CYS 33 HA CYS 33 -8.743 -0.299 -9.918 235 1HB CYS 33 2HB CYS 33 -5.977 -0.167 -9.663 236 2HB CYS 33 3HB CYS 33 -6.348 1.206 -10.687 237 HG CYS 33 HG CYS 33 -6.925 0.583 -7.601 238 H LYS 34 HN LYS 34 -8.983 2.038 -11.023 239 HA LYS 34 HA LYS 34 -9.963 1.559 -13.622 240 1HB LYS 34 2HB LYS 34 -10.092 3.622 -11.613 241 2HB LYS 34 3HB LYS 34 -9.735 4.349 -13.167 242 1HG LYS 34 2HG LYS 34 -11.664 2.582 -13.948 243 2HG LYS 34 3HG LYS 34 -12.173 2.838 -12.290 244 1HD LYS 34 2HD LYS 34 -13.312 4.573 -13.370 245 2HD LYS 34 3HD LYS 34 -11.857 5.407 -12.859 246 1HE LYS 34 2HE LYS 34 -10.850 4.818 -15.157 247 2HE LYS 34 3HE LYS 34 -12.447 4.276 -15.631 248 1HZ LYS 34 1HZ LYS 34 -12.700 6.399 -16.184 249 2HZ LYS 34 2HZ LYS 34 -12.969 6.668 -14.596 250 3HZ LYS 34 3HZ LYS 34 -11.489 6.938 -15.231 251 H ALA 35 HN ALA 35 -6.851 2.546 -12.313 252 HA ALA 35 HA ALA 35 -5.974 3.173 -15.049 253 1HB ALA 35 1HB ALA 35 -4.984 4.120 -12.333 254 2HB ALA 35 2HB ALA 35 -4.112 4.406 -13.858 255 3HB ALA 35 3HB ALA 35 -5.734 5.098 -13.616 256 H GLY 36 HN GLY 36 -6.365 0.501 -13.615 257 1HA GLY 36 1HA GLY 36 -5.200 -1.387 -13.137 258 2HA GLY 36 2HA GLY 36 -4.392 -0.989 -14.640 259 H GLN 37 HN GLN 37 -4.311 0.473 -11.307 260 HA GLN 37 HA GLN 37 -1.557 -0.321 -11.097 261 1HB GLN 37 2HB GLN 37 -0.872 2.058 -10.493 262 2HB GLN 37 3HB GLN 37 -1.204 1.781 -12.191 263 1HG GLN 37 2HG GLN 37 -2.734 3.451 -12.130 264 2HG GLN 37 3HG GLN 37 -3.713 2.480 -11.049 265 1HE2 GLN 37 1HE2 GLN 37 -3.949 3.041 -8.988 266 2HE2 GLN 37 2HE2 GLN 37 -3.156 4.362 -8.194 267 H ILE 38 HN ILE 38 -1.303 -1.126 -9.060 268 HA ILE 38 HA ILE 38 -3.248 -0.287 -7.054 269 HB ILE 38 HB ILE 38 -2.806 -2.715 -7.724 270 1HG1 ILE 38 2HG1 ILE 38 -2.600 -3.090 -4.971 271 2HG1 ILE 38 3HG1 ILE 38 -3.286 -1.484 -5.119 272 1HG2 ILE 38 1HG2 ILE 38 -0.245 -2.038 -6.313 273 2HG2 ILE 38 2HG2 ILE 38 -0.932 -3.675 -6.179 274 3HG2 ILE 38 3HG2 ILE 38 -0.520 -3.011 -7.779 275 1HD1 ILE 38 1HD1 ILE 38 -5.007 -2.409 -6.722 276 2HD1 ILE 38 2HD1 ILE 38 -4.354 -4.035 -6.409 277 3HD1 ILE 38 3HD1 ILE 38 -5.107 -3.108 -5.088 278 H ALA 39 HN ALA 39 -2.653 0.622 -5.066 279 HA ALA 39 HA ALA 39 -0.121 1.987 -5.132 280 1HB ALA 39 1HB ALA 39 -1.285 3.485 -3.931 281 2HB ALA 39 2HB ALA 39 -2.705 2.418 -4.047 282 3HB ALA 39 3HB ALA 39 -1.598 2.279 -2.660 283 H SER 40 HN SER 40 1.664 0.774 -4.659 284 HA SER 40 HA SER 40 1.531 -0.676 -2.145 285 1HB SER 40 2HB SER 40 2.302 -1.738 -4.850 286 2HB SER 40 3HB SER 40 3.232 -2.296 -3.475 287 HG SER 40 HG SER 40 0.488 -2.731 -4.108 288 H SER 41 HN SER 41 4.159 -1.558 -1.956 289 HA SER 41 HA SER 41 5.617 0.955 -2.209 290 1HB SER 41 2HB SER 41 5.518 -1.147 -0.057 291 2HB SER 41 3HB SER 41 7.039 -0.312 -0.306 292 HG SER 41 HG SER 41 5.241 1.634 -0.313 293 HA PRO 42 HA PRO 42 7.857 -1.850 -4.885 294 1HB PRO 42 2HB PRO 42 8.663 0.024 -6.704 295 2HB PRO 42 3HB PRO 42 7.169 -0.881 -6.857 296 1HG PRO 42 2HG PRO 42 7.555 1.936 -6.047 297 2HG PRO 42 3HG PRO 42 6.096 1.146 -6.610 298 1HD PRO 42 2HD PRO 42 6.737 1.836 -3.901 299 2HD PRO 42 3HD PRO 42 5.332 0.943 -4.451 300 H ARG 43 HN ARG 43 9.153 1.412 -4.426 301 HA ARG 43 HA ARG 43 11.708 0.161 -3.986 302 1HB ARG 43 2HB ARG 43 11.038 3.144 -4.043 303 2HB ARG 43 3HB ARG 43 12.632 2.430 -4.187 304 1HG ARG 43 2HG ARG 43 10.419 1.760 -6.167 305 2HG ARG 43 3HG ARG 43 11.428 3.179 -6.376 306 1HD ARG 43 2HD ARG 43 12.858 1.777 -7.482 307 2HD ARG 43 3HD ARG 43 13.340 1.233 -5.888 308 HE ARG 43 HE ARG 43 12.285 -0.803 -6.314 309 1HH1 ARG 43 1HH1 ARG 43 9.962 -1.738 -8.745 310 2HH1 ARG 43 2HH1 ARG 43 10.981 -2.291 -7.458 311 1HH2 ARG 43 1HH2 ARG 43 9.923 0.514 -9.309 312 2HH2 ARG 43 2HH2 ARG 43 10.912 1.641 -8.442 313 H THR 44 HN THR 44 11.140 -0.785 -1.861 314 HA THR 44 HA THR 44 10.496 1.084 0.264 315 HB THR 44 HB THR 44 10.996 -1.937 0.307 316 HG1 THR 44 1HG THR 44 8.519 -1.738 0.249 317 1HG2 THR 44 1HG2 THR 44 9.659 0.059 2.188 318 2HG2 THR 44 2HG2 THR 44 9.227 -1.668 2.203 319 3HG2 THR 44 3HG2 THR 44 10.892 -1.163 2.584 320 H GLU 45 HN GLU 45 13.039 1.458 -1.163 321 HA GLU 45 HA GLU 45 15.132 0.358 0.249 322 1HB GLU 45 2HB GLU 45 16.498 2.097 -0.768 323 2HB GLU 45 3HB GLU 45 15.305 1.569 -1.938 324 1HG GLU 45 2HG GLU 45 13.932 3.526 -1.577 325 2HG GLU 45 3HG GLU 45 14.814 3.970 -0.130 326 H ASP 46 HN ASP 46 12.731 2.608 1.259 327 HA ASP 46 HA ASP 46 14.443 3.349 3.501 328 1HB ASP 46 2HB ASP 46 13.374 5.112 1.680 329 2HB ASP 46 3HB ASP 46 12.075 5.063 2.855 330 H CYS 47 HN CYS 47 12.012 4.706 4.750 331 HA CYS 47 HA CYS 47 10.251 4.254 5.985 332 1HB CYS 47 2HB CYS 47 9.031 3.384 4.141 333 2HB CYS 47 3HB CYS 47 9.952 1.893 4.118 334 H VAL 48 HN VAL 48 10.003 3.293 8.062 335 HA VAL 48 HA VAL 48 11.382 0.826 8.625 336 HB VAL 48 HB VAL 48 12.712 1.842 10.453 337 1HG1 VAL 48 1HG1 VAL 48 13.375 2.921 7.691 338 2HG1 VAL 48 2HG1 VAL 48 14.516 2.665 9.033 339 3HG1 VAL 48 3HG1 VAL 48 13.717 1.271 8.267 340 1HG2 VAL 48 1HG2 VAL 48 11.333 4.266 9.530 341 2HG2 VAL 48 2HG2 VAL 48 12.118 3.913 11.088 342 3HG2 VAL 48 3HG2 VAL 48 13.092 4.470 9.707 343 H GLY 49 HN GLY 49 8.627 1.520 8.525 344 1HA GLY 49 1HA GLY 49 6.744 1.464 9.752 345 2HA GLY 49 2HA GLY 49 7.675 0.535 10.909 346 H CYS 50 HN CYS 50 6.671 3.841 9.945 347 HA CYS 50 HA CYS 50 7.675 4.867 12.470 348 1HB CYS 50 2HB CYS 50 7.333 7.054 11.580 349 2HB CYS 50 3HB CYS 50 8.101 6.102 10.326 350 H LYS 51 HN LYS 51 5.363 2.903 12.132 351 HA LYS 51 HA LYS 51 3.198 2.672 12.640 352 1HB LYS 51 2HB LYS 51 4.735 3.416 14.833 353 2HB LYS 51 3HB LYS 51 3.315 4.431 14.977 354 1HG LYS 51 2HG LYS 51 1.902 2.648 15.358 355 2HG LYS 51 3HG LYS 51 2.745 1.598 14.237 356 1HD LYS 51 2HD LYS 51 4.495 2.212 16.481 357 2HD LYS 51 3HD LYS 51 2.956 1.637 17.089 358 1HE LYS 51 2HE LYS 51 3.200 -0.271 15.298 359 2HE LYS 51 3HE LYS 51 4.881 0.215 15.214 360 1HZ LYS 51 1HZ LYS 51 4.094 -0.008 17.889 361 2HZ LYS 51 2HZ LYS 51 3.715 -1.389 17.104 362 3HZ LYS 51 3HZ LYS 51 5.252 -0.840 17.093 363 H ARG 52 HN ARG 52 2.568 3.893 10.646 364 HA ARG 52 HA ARG 52 0.939 6.115 11.485 365 1HB ARG 52 2HB ARG 52 3.301 6.766 10.353 366 2HB ARG 52 3HB ARG 52 2.428 6.429 8.872 367 1HG ARG 52 2HG ARG 52 1.758 8.614 9.045 368 2HG ARG 52 3HG ARG 52 0.568 7.975 10.161 369 1HD ARG 52 2HD ARG 52 3.051 8.378 11.604 370 2HD ARG 52 3HD ARG 52 2.683 9.843 10.715 371 HE ARG 52 HE ARG 52 1.254 8.840 13.017 372 1HH1 ARG 52 1HH1 ARG 52 -1.456 11.012 12.674 373 2HH1 ARG 52 2HH1 ARG 52 -0.624 9.925 13.736 374 1HH2 ARG 52 1HH2 ARG 52 -0.663 11.365 10.521 375 2HH2 ARG 52 2HH2 ARG 52 0.760 10.543 9.976 376 H CYS 53 HN CYS 53 2.006 3.886 8.839 377 HA CYS 53 HA CYS 53 -0.528 4.150 7.510 378 1HB CYS 53 2HB CYS 53 0.459 2.414 5.960 379 2HB CYS 53 3HB CYS 53 1.329 3.931 6.052 380 H GLU 54 HN GLU 54 -1.149 3.405 10.040 381 HA GLU 54 HA GLU 54 -1.116 0.549 10.244 382 1HB GLU 54 2HB GLU 54 -0.888 2.280 12.176 383 2HB GLU 54 3HB GLU 54 -2.627 2.464 12.057 384 1HG GLU 54 2HG GLU 54 -2.810 -0.086 12.302 385 2HG GLU 54 3HG GLU 54 -1.095 -0.105 12.663 386 H THR 55 HN THR 55 -2.342 0.558 8.020 387 HA THR 55 HA THR 55 -5.121 0.062 8.639 388 HB THR 55 HB THR 55 -5.057 2.516 8.110 389 HG1 THR 55 1HG THR 55 -6.892 2.072 6.932 390 1HG2 THR 55 1HG2 THR 55 -4.257 1.660 5.293 391 2HG2 THR 55 2HG2 THR 55 -4.395 3.313 5.940 392 3HG2 THR 55 3HG2 THR 55 -3.051 2.265 6.453 393 H ALA 56 HN ALA 56 -2.695 0.414 5.966 394 HA ALA 56 HA ALA 56 -2.095 -0.999 4.372 395 1HB ALA 56 1HB ALA 56 -2.960 -2.729 6.564 396 2HB ALA 56 2HB ALA 56 -3.210 -3.497 4.976 397 3HB ALA 56 3HB ALA 56 -1.593 -2.917 5.440 398 H CYS 57 HN CYS 57 -5.237 -2.579 5.238 399 HA CYS 57 HA CYS 57 -6.713 -1.237 3.281 400 1HB CYS 57 2HB CYS 57 -5.027 -2.967 2.027 401 2HB CYS 57 3HB CYS 57 -6.396 -4.024 2.309 402 HA PRO 58 HA PRO 58 -9.605 -3.267 5.841 403 1HB PRO 58 2HB PRO 58 -11.931 -2.602 4.571 404 2HB PRO 58 3HB PRO 58 -11.094 -1.519 5.666 405 1HG PRO 58 2HG PRO 58 -11.225 -1.431 2.714 406 2HG PRO 58 3HG PRO 58 -10.771 -0.160 3.831 407 1HD PRO 58 2HD PRO 58 -9.002 -1.741 2.219 408 2HD PRO 58 3HD PRO 58 -8.543 -0.549 3.421 409 H THR 59 HN THR 59 -8.854 -5.403 5.566 410 HA THR 59 HA THR 59 -8.964 -7.490 4.768 411 HB THR 59 HB THR 59 -11.261 -8.395 4.802 412 HG1 THR 59 1HG THR 59 -12.992 -6.846 4.566 413 1HG2 THR 59 1HG2 THR 59 -12.254 -6.982 6.784 414 2HG2 THR 59 2HG2 THR 59 -10.714 -7.830 7.060 415 3HG2 THR 59 3HG2 THR 59 -10.718 -6.084 6.711 416 H ASP 60 HN ASP 60 -10.681 -8.768 2.894 417 HA ASP 60 HA ASP 60 -11.175 -8.880 0.737 418 1HB ASP 60 2HB ASP 60 -10.934 -6.186 0.842 419 2HB ASP 60 3HB ASP 60 -9.476 -6.525 -0.070 420 H PHE 61 HN PHE 61 -7.926 -7.728 1.787 421 HA PHE 61 HA PHE 61 -6.740 -9.961 0.355 422 1HB PHE 61 2HB PHE 61 -6.122 -6.970 0.085 423 2HB PHE 61 3HB PHE 61 -4.903 -8.168 -0.304 424 HD1 PHE 61 1HD PHE 61 -5.349 -9.804 -2.162 425 HD2 PHE 61 2HD PHE 61 -7.856 -6.457 -1.442 426 HE1 PHE 61 1HE PHE 61 -6.292 -10.011 -4.478 427 HE2 PHE 61 2HE PHE 61 -8.799 -6.664 -3.760 428 HZ PHE 61 HZ PHE 61 -8.005 -8.439 -5.250 429 H LEU 62 HN LEU 62 -4.815 -7.230 1.491 430 HA LEU 62 HA LEU 62 -3.479 -6.947 3.228 431 1HB LEU 62 2HB LEU 62 -5.757 -8.337 4.366 432 2HB LEU 62 3HB LEU 62 -4.279 -8.720 5.226 433 HG LEU 62 HG LEU 62 -5.420 -5.955 4.747 434 1HD1 LEU 62 1HD1 LEU 62 -6.370 -6.054 6.767 435 2HD1 LEU 62 2HD1 LEU 62 -6.167 -7.816 6.625 436 3HD1 LEU 62 3HD1 LEU 62 -4.957 -6.848 7.500 437 1HD2 LEU 62 1HD2 LEU 62 -3.531 -5.373 6.452 438 2HD2 LEU 62 2HD2 LEU 62 -2.767 -6.853 5.825 439 3HD2 LEU 62 3HD2 LEU 62 -3.156 -5.515 4.718 440 H SER 63 HN SER 63 -4.332 -10.485 3.250 441 HA SER 63 HA SER 63 -3.110 -12.251 2.903 442 1HB SER 63 2HB SER 63 -1.939 -10.463 1.165 443 2HB SER 63 3HB SER 63 -0.561 -10.906 2.152 444 HG SER 63 HG SER 63 -1.824 -12.360 0.191 445 H ILE 64 HN ILE 64 -1.767 -13.579 4.227 446 HA ILE 64 HA ILE 64 -0.963 -12.351 6.674 447 HB ILE 64 HB ILE 64 -2.055 -14.550 6.529 448 1HG1 ILE 64 2HG1 ILE 64 0.572 -15.216 7.732 449 2HG1 ILE 64 3HG1 ILE 64 -0.151 -13.716 8.280 450 1HG2 ILE 64 1HG2 ILE 64 0.548 -15.432 5.253 451 2HG2 ILE 64 2HG2 ILE 64 -0.726 -16.522 5.850 452 3HG2 ILE 64 3HG2 ILE 64 -1.064 -15.413 4.499 453 1HD1 ILE 64 1HD1 ILE 64 -2.078 -15.967 8.096 454 2HD1 ILE 64 2HD1 ILE 64 -0.773 -16.211 9.281 455 3HD1 ILE 64 3HD1 ILE 64 -1.830 -14.785 9.404 456 H ARG 65 HN ARG 65 0.994 -11.525 7.193 457 HA ARG 65 HA ARG 65 3.289 -12.586 5.834 458 1HB ARG 65 2HB ARG 65 2.359 -9.698 5.613 459 2HB ARG 65 3HB ARG 65 4.063 -10.083 5.487 460 1HG ARG 65 2HG ARG 65 1.971 -11.509 3.791 461 2HG ARG 65 3HG ARG 65 2.694 -9.996 3.282 462 1HD ARG 65 2HD ARG 65 4.985 -11.284 3.837 463 2HD ARG 65 3HD ARG 65 3.991 -12.707 3.599 464 HE ARG 65 HE ARG 65 3.712 -10.698 1.473 465 1HH1 ARG 65 1HH1 ARG 65 5.421 -12.677 -0.837 466 2HH1 ARG 65 2HH1 ARG 65 4.427 -11.277 -0.618 467 1HH2 ARG 65 1HH2 ARG 65 6.029 -13.966 0.995 468 2HH2 ARG 65 2HH2 ARG 65 5.488 -13.527 2.580 469 H VAL 66 HN VAL 66 1.881 -10.221 8.177 470 HA VAL 66 HA VAL 66 2.468 -9.639 10.226 471 HB VAL 66 HB VAL 66 4.118 -12.161 10.022 472 1HG1 VAL 66 1HG1 VAL 66 3.506 -10.666 12.584 473 2HG1 VAL 66 2HG1 VAL 66 4.591 -12.056 12.347 474 3HG1 VAL 66 3HG1 VAL 66 5.028 -10.462 11.686 475 1HG2 VAL 66 1HG2 VAL 66 2.235 -13.242 10.535 476 2HG2 VAL 66 2HG2 VAL 66 1.952 -12.186 11.940 477 3HG2 VAL 66 3HG2 VAL 66 1.353 -11.710 10.334 478 H TYR 67 HN TYR 67 3.373 -7.646 9.592 479 HA TYR 67 HA TYR 67 6.306 -7.648 9.643 480 1HB TYR 67 2HB TYR 67 4.263 -6.529 7.681 481 2HB TYR 67 3HB TYR 67 5.702 -5.570 7.965 482 HD1 TYR 67 HD1 TYR 67 4.808 -9.145 7.219 483 HD2 TYR 67 HD2 TYR 67 7.486 -5.883 6.519 484 HE1 TYR 67 HE1 TYR 67 6.085 -10.547 5.526 485 HE2 TYR 67 HE2 TYR 67 8.754 -7.296 4.828 486 HH TYR 67 HH TYR 67 9.035 -9.309 4.020 487 H LEU 68 HN LEU 68 3.412 -5.440 9.555 488 HA LEU 68 HA LEU 68 4.457 -3.280 10.764 489 1HB LEU 68 2HB LEU 68 1.741 -4.550 10.943 490 2HB LEU 68 3HB LEU 68 2.097 -3.070 11.810 491 HG LEU 68 HG LEU 68 2.436 -3.393 8.818 492 1HD1 LEU 68 1HD1 LEU 68 0.081 -2.454 10.449 493 2HD1 LEU 68 2HD1 LEU 68 0.345 -1.905 8.775 494 3HD1 LEU 68 3HD1 LEU 68 0.131 -3.639 9.121 495 1HD2 LEU 68 1HD2 LEU 68 3.181 -1.280 8.727 496 2HD2 LEU 68 2HD2 LEU 68 2.051 -0.716 9.981 497 3HD2 LEU 68 3HD2 LEU 68 3.568 -1.520 10.448 498 H GLY 69 HN GLY 69 5.847 -3.205 12.452 499 1HA GLY 69 1HA GLY 69 6.834 -3.806 14.409 500 2HA GLY 69 2HA GLY 69 5.242 -3.433 15.040 501 H ALA 70 HN ALA 70 7.206 -6.106 13.594 502 HA ALA 70 HA ALA 70 6.079 -7.916 15.538 503 1HB ALA 70 1HB ALA 70 4.522 -8.761 14.150 504 2HB ALA 70 2HB ALA 70 5.123 -7.788 12.787 505 3HB ALA 70 3HB ALA 70 5.856 -9.371 13.142 506 H GLU 71 HN GLU 71 7.965 -7.747 12.430 507 HA GLU 71 HA GLU 71 9.717 -9.771 13.287 508 1HB GLU 71 2HB GLU 71 11.049 -9.064 11.255 509 2HB GLU 71 3HB GLU 71 9.374 -9.453 10.921 510 1HG GLU 71 2HG GLU 71 8.939 -7.345 10.188 511 2HG GLU 71 3HG GLU 71 9.631 -6.627 11.630 512 H THR 72 HN THR 72 11.379 -9.608 14.726 513 HA THR 72 HA THR 72 13.115 -7.348 14.713 514 HB THR 72 HB THR 72 11.085 -6.478 15.980 515 HG1 THR 72 1HG THR 72 13.357 -5.838 16.412 516 1HG2 THR 72 1HG2 THR 72 11.681 -8.961 17.560 517 2HG2 THR 72 2HG2 THR 72 11.379 -7.484 18.507 518 3HG2 THR 72 3HG2 THR 72 10.144 -8.083 17.374 519 H THR 73 HN THR 73 13.109 -10.309 14.372 520 HA THR 73 HA THR 73 14.626 -11.122 16.738 521 HB THR 73 HB THR 73 12.731 -12.538 15.800 522 HG1 THR 73 1HG THR 73 15.520 -13.433 15.613 523 1HG2 THR 73 1HG2 THR 73 13.815 -13.981 13.780 524 2HG2 THR 73 2HG2 THR 73 12.778 -12.570 13.460 525 3HG2 THR 73 3HG2 THR 73 14.550 -12.405 13.397 526 H ARG 74 HN ARG 74 14.989 -10.169 13.361 527 HA ARG 74 HA ARG 74 17.632 -11.245 13.263 528 1HB ARG 74 2HB ARG 74 16.212 -9.362 11.313 529 2HB ARG 74 3HB ARG 74 17.686 -10.250 10.982 530 1HG ARG 74 2HG ARG 74 16.371 -11.923 10.186 531 2HG ARG 74 3HG ARG 74 15.930 -12.255 11.849 532 1HD ARG 74 2HD ARG 74 13.832 -11.347 11.613 533 2HD ARG 74 3HD ARG 74 14.414 -9.993 10.664 534 HE ARG 74 HE ARG 74 13.311 -12.452 9.627 535 1HH1 ARG 74 1HH1 ARG 74 14.313 -11.886 6.332 536 2HH1 ARG 74 2HH1 ARG 74 13.280 -12.810 7.370 537 1HH2 ARG 74 1HH2 ARG 74 15.731 -10.284 7.234 538 2HH2 ARG 74 2HH2 ARG 74 15.754 -10.013 8.945 539 H SER 75 HN SER 75 16.046 -8.351 14.340 540 HA SER 75 HA SER 75 18.521 -6.847 14.086 541 1HB SER 75 2HB SER 75 16.086 -6.023 13.359 542 2HB SER 75 3HB SER 75 15.941 -5.625 15.060 543 HG SER 75 HG SER 75 17.060 -4.119 13.215 544 H MET 76 HN MET 76 16.995 -8.919 16.199 545 HA MET 76 HA MET 76 16.723 -7.818 18.584 546 1HB MET 76 2HB MET 76 17.558 -10.422 17.514 547 2HB MET 76 3HB MET 76 18.354 -10.132 19.049 548 1HG MET 76 2HG MET 76 15.361 -9.672 18.731 549 2HG MET 76 3HG MET 76 15.994 -11.269 19.072 550 1HE MET 76 1HE MET 76 16.521 -11.859 22.049 551 2HE MET 76 2HE MET 76 15.012 -11.003 22.450 552 3HE MET 76 3HE MET 76 15.169 -11.848 20.891 553 H GLY 77 HN GLY 77 19.859 -8.465 16.948 554 1HA GLY 77 1HA GLY 77 21.551 -6.735 17.444 555 2HA GLY 77 2HA GLY 77 21.205 -7.001 19.141 556 H LEU 78 HN LEU 78 21.366 -9.524 16.569 557 HA LEU 78 HA LEU 78 23.639 -10.668 18.035 558 1HB LEU 78 2HB LEU 78 21.862 -12.252 16.222 559 2HB LEU 78 3HB LEU 78 22.866 -12.793 17.552 560 HG LEU 78 HG LEU 78 20.192 -11.397 17.684 561 1HD1 LEU 78 1HD1 LEU 78 21.230 -14.132 18.292 562 2HD1 LEU 78 2HD1 LEU 78 19.899 -13.485 19.281 563 3HD1 LEU 78 3HD1 LEU 78 19.710 -13.624 17.517 564 1HD2 LEU 78 1HD2 LEU 78 22.165 -10.691 19.380 565 2HD2 LEU 78 2HD2 LEU 78 20.446 -10.760 19.834 566 3HD2 LEU 78 3HD2 LEU 78 21.527 -12.118 20.230 567 H ALA 79 HN ALA 79 22.192 -10.748 14.696 568 HA ALA 79 HA ALA 79 24.895 -10.858 13.633 569 1HB ALA 79 1HB ALA 79 22.968 -12.377 12.906 570 2HB ALA 79 2HB ALA 79 22.261 -10.941 12.125 571 3HB ALA 79 3HB ALA 79 23.849 -11.549 11.601 572 H TYR 80 HN TYR 80 22.014 -8.734 13.818 573 HA TYR 80 HA TYR 80 22.376 -6.883 11.960 574 1HB TYR 80 2HB TYR 80 21.241 -5.464 13.538 575 2HB TYR 80 3HB TYR 80 20.906 -7.062 14.176 576 HD1 TYR 80 HD1 TYR 80 21.123 -4.172 15.522 577 HD2 TYR 80 HD2 TYR 80 23.646 -7.625 15.390 578 HE1 TYR 80 HE1 TYR 80 22.162 -3.507 17.744 579 HE2 TYR 80 HE2 TYR 80 24.677 -6.947 17.613 580 HH TYR 80 HH TYR 80 23.302 -4.498 19.564 Start of MODEL 17 1 H SER 1 HN SER 1 9.834 -6.603 5.461 2 HA SER 1 HA SER 1 10.776 -4.342 5.558 3 1HB SER 1 2HB SER 1 10.249 -4.543 2.755 4 2HB SER 1 3HB SER 1 9.194 -3.284 3.366 5 HG SER 1 HG SER 1 10.881 -1.989 3.551 6 H HIS 2 HN HIS 2 9.217 -5.115 7.318 7 HA HIS 2 HA HIS 2 7.362 -4.953 8.487 8 1HB HIS 2 2HB HIS 2 7.012 -2.373 6.934 9 2HB HIS 2 3HB HIS 2 6.186 -2.784 8.425 10 HD1 HIS 2 HD1 HIS 2 7.974 -0.272 8.288 11 HD2 HIS 2 HD2 HIS 2 9.314 -4.033 9.577 12 HE1 HIS 2 HE1 HIS 2 10.017 0.160 9.755 13 H SER 3 HN SER 3 4.798 -4.547 8.320 14 HA SER 3 HA SER 3 3.892 -6.479 6.579 15 1HB SER 3 2HB SER 3 2.862 -5.316 8.764 16 2HB SER 3 3HB SER 3 2.019 -4.341 7.578 17 HG SER 3 HG SER 3 1.596 -6.675 6.598 18 H VAL 4 HN VAL 4 1.397 -4.970 5.685 19 HA VAL 4 HA VAL 4 0.745 -4.259 3.666 20 HB VAL 4 HB VAL 4 0.864 -2.239 4.973 21 1HG1 VAL 4 1HG1 VAL 4 3.086 -2.145 5.766 22 2HG1 VAL 4 2HG1 VAL 4 3.767 -2.192 4.123 23 3HG1 VAL 4 3HG1 VAL 4 2.918 -0.735 4.692 24 1HG2 VAL 4 1HG2 VAL 4 0.417 -0.899 3.218 25 2HG2 VAL 4 2HG2 VAL 4 2.029 -1.134 2.500 26 3HG2 VAL 4 3HG2 VAL 4 0.751 -2.345 2.235 27 H LYS 5 HN LYS 5 2.389 -6.240 3.066 28 HA LYS 5 HA LYS 5 4.708 -5.458 1.646 29 1HB LYS 5 2HB LYS 5 3.187 -7.964 2.147 30 2HB LYS 5 3HB LYS 5 4.174 -7.932 0.699 31 1HG LYS 5 2HG LYS 5 5.946 -6.838 2.468 32 2HG LYS 5 3HG LYS 5 5.012 -7.825 3.575 33 1HD LYS 5 2HD LYS 5 5.373 -9.612 1.515 34 2HD LYS 5 3HD LYS 5 6.839 -8.663 1.364 35 1HE LYS 5 2HE LYS 5 7.205 -9.008 3.882 36 2HE LYS 5 3HE LYS 5 5.869 -10.142 3.851 37 1HZ LYS 5 1HZ LYS 5 7.717 -10.669 1.784 38 2HZ LYS 5 2HZ LYS 5 8.452 -10.690 3.243 39 3HZ LYS 5 3HZ LYS 5 7.171 -11.663 2.959 40 H ILE 6 HN ILE 6 4.743 -6.536 -0.814 41 HA ILE 6 HA ILE 6 3.164 -4.688 -2.284 42 HB ILE 6 HB ILE 6 5.138 -6.842 -2.977 43 1HG1 ILE 6 2HG1 ILE 6 6.014 -4.499 -4.067 44 2HG1 ILE 6 3HG1 ILE 6 5.148 -3.899 -2.665 45 1HG2 ILE 6 1HG2 ILE 6 3.340 -6.820 -4.701 46 2HG2 ILE 6 2HG2 ILE 6 3.695 -5.101 -4.992 47 3HG2 ILE 6 3HG2 ILE 6 4.938 -6.334 -5.314 48 1HD1 ILE 6 1HD1 ILE 6 7.465 -4.344 -2.029 49 2HD1 ILE 6 2HD1 ILE 6 6.418 -5.538 -1.224 50 3HD1 ILE 6 3HD1 ILE 6 7.359 -6.004 -2.662 51 H TYR 7 HN TYR 7 0.981 -4.984 -2.331 52 HA TYR 7 HA TYR 7 0.077 -7.557 -3.393 53 1HB TYR 7 2HB TYR 7 -0.903 -5.958 -0.950 54 2HB TYR 7 3HB TYR 7 -1.859 -7.241 -1.666 55 HD1 TYR 7 HD1 TYR 7 -0.093 -9.429 -2.151 56 HD2 TYR 7 HD2 TYR 7 0.005 -6.619 1.074 57 HE1 TYR 7 HE1 TYR 7 1.112 -11.130 -0.695 58 HE2 TYR 7 HE2 TYR 7 1.210 -8.329 2.518 59 HH TYR 7 HH TYR 7 2.785 -10.401 1.917 60 H ASP 8 HN ASP 8 -1.945 -7.444 -4.551 61 HA ASP 8 HA ASP 8 -2.360 -4.797 -5.597 62 1HB ASP 8 2HB ASP 8 -3.904 -6.067 -7.202 63 2HB ASP 8 3HB ASP 8 -2.206 -6.493 -7.277 64 H THR 9 HN THR 9 -3.215 -5.260 -2.852 65 HA THR 9 HA THR 9 -6.092 -5.691 -2.993 66 HB THR 9 HB THR 9 -4.952 -6.806 -1.172 67 HG1 THR 9 1HG THR 9 -6.922 -5.448 -0.710 68 1HG2 THR 9 1HG2 THR 9 -3.719 -5.322 0.554 69 2HG2 THR 9 2HG2 THR 9 -2.842 -5.633 -0.964 70 3HG2 THR 9 3HG2 THR 9 -3.662 -4.073 -0.714 71 H CYS 10 HN CYS 10 -6.938 -3.940 -4.110 72 HA CYS 10 HA CYS 10 -7.101 -1.563 -2.512 73 1HB CYS 10 2HB CYS 10 -5.008 -1.371 -4.059 74 2HB CYS 10 3HB CYS 10 -6.172 -1.146 -5.351 75 H ILE 11 HN ILE 11 -9.160 -0.675 -2.789 76 HA ILE 11 HA ILE 11 -10.749 -1.864 -4.952 77 HB ILE 11 HB ILE 11 -12.601 -1.844 -3.584 78 1HG1 ILE 11 2HG1 ILE 11 -12.242 0.569 -2.875 79 2HG1 ILE 11 3HG1 ILE 11 -13.007 -0.489 -1.707 80 1HG2 ILE 11 1HG2 ILE 11 -10.166 -2.473 -1.910 81 2HG2 ILE 11 2HG2 ILE 11 -11.828 -2.783 -1.353 82 3HG2 ILE 11 3HG2 ILE 11 -11.215 -3.590 -2.816 83 1HD1 ILE 11 1HD1 ILE 11 -10.584 -0.898 -0.794 84 2HD1 ILE 11 2HD1 ILE 11 -10.164 0.566 -1.717 85 3HD1 ILE 11 3HD1 ILE 11 -11.382 0.650 -0.421 86 H GLY 12 HN GLY 12 -9.214 0.988 -3.800 87 1HA GLY 12 1HA GLY 12 -9.186 2.770 -5.486 88 2HA GLY 12 2HA GLY 12 -10.931 2.632 -5.566 89 H CYS 13 HN CYS 13 -8.982 2.379 -2.555 90 HA CYS 13 HA CYS 13 -10.321 4.825 -1.661 91 1HB CYS 13 2HB CYS 13 -10.941 3.715 0.166 92 2HB CYS 13 3HB CYS 13 -10.235 2.250 -0.488 93 H THR 14 HN THR 14 -8.907 5.972 0.144 94 HA THR 14 HA THR 14 -6.054 5.721 -0.492 95 HB THR 14 HB THR 14 -5.882 8.080 -0.946 96 HG1 THR 14 1HG THR 14 -8.602 7.974 0.141 97 1HG2 THR 14 1HG2 THR 14 -7.373 6.604 -2.657 98 2HG2 THR 14 2HG2 THR 14 -8.648 7.712 -2.095 99 3HG2 THR 14 3HG2 THR 14 -7.183 8.360 -2.871 100 H GLN 15 HN GLN 15 -6.059 4.512 1.541 101 HA GLN 15 HA GLN 15 -6.193 6.384 3.776 102 1HB GLN 15 2HB GLN 15 -6.848 4.513 5.229 103 2HB GLN 15 3HB GLN 15 -7.987 4.679 3.909 104 1HG GLN 15 2HG GLN 15 -6.669 2.887 2.652 105 2HG GLN 15 3HG GLN 15 -5.715 2.649 4.103 106 1HE2 GLN 15 1HE2 GLN 15 -6.528 0.468 3.960 107 2HE2 GLN 15 2HE2 GLN 15 -8.064 0.056 4.645 108 H CYS 16 HN CYS 16 -4.660 3.366 2.477 109 HA CYS 16 HA CYS 16 -2.476 3.642 4.322 110 1HB CYS 16 2HB CYS 16 -1.780 1.539 3.620 111 2HB CYS 16 3HB CYS 16 -3.521 1.436 3.445 112 H VAL 17 HN VAL 17 -3.309 5.619 1.994 113 HA VAL 17 HA VAL 17 -0.626 5.737 0.799 114 HB VAL 17 HB VAL 17 -3.105 6.824 -0.505 115 1HG1 VAL 17 1HG1 VAL 17 -0.650 7.346 -1.194 116 2HG1 VAL 17 2HG1 VAL 17 -0.665 5.700 -1.870 117 3HG1 VAL 17 3HG1 VAL 17 -1.830 6.913 -2.454 118 1HG2 VAL 17 1HG2 VAL 17 -2.171 3.966 -0.412 119 2HG2 VAL 17 2HG2 VAL 17 -3.823 4.625 -0.336 120 3HG2 VAL 17 3HG2 VAL 17 -2.944 4.603 -1.884 121 H ARG 18 HN ARG 18 -2.109 6.901 3.318 122 HA ARG 18 HA ARG 18 -1.505 9.670 2.647 123 1HB ARG 18 2HB ARG 18 -3.770 8.428 4.069 124 2HB ARG 18 3HB ARG 18 -3.010 9.672 5.044 125 1HG ARG 18 2HG ARG 18 -4.608 10.882 3.785 126 2HG ARG 18 3HG ARG 18 -3.117 11.165 2.909 127 1HD ARG 18 2HD ARG 18 -4.229 8.733 1.866 128 2HD ARG 18 3HD ARG 18 -5.549 9.881 1.975 129 HE ARG 18 HE ARG 18 -3.239 10.045 0.189 130 1HH1 ARG 18 1HH1 ARG 18 -4.195 13.145 -1.098 131 2HH1 ARG 18 2HH1 ARG 18 -3.157 11.774 -1.302 132 1HH2 ARG 18 1HH2 ARG 18 -5.671 13.225 0.693 133 2HH2 ARG 18 2HH2 ARG 18 -5.734 11.915 1.823 134 H ALA 19 HN ALA 19 -1.506 7.164 5.275 135 HA ALA 19 HA ALA 19 0.248 8.704 6.925 136 1HB ALA 19 1HB ALA 19 -0.876 7.347 8.341 137 2HB ALA 19 2HB ALA 19 -1.298 6.202 7.044 138 3HB ALA 19 3HB ALA 19 0.285 6.088 7.853 139 H CYS 20 HN CYS 20 2.004 9.151 5.413 140 HA CYS 20 HA CYS 20 4.085 7.302 5.666 141 1HB CYS 20 2HB CYS 20 2.706 6.167 3.848 142 2HB CYS 20 3HB CYS 20 3.104 7.521 2.808 143 HA PRO 21 HA PRO 21 5.082 11.643 4.866 144 1HB PRO 21 2HB PRO 21 6.677 12.037 7.050 145 2HB PRO 21 3HB PRO 21 4.960 12.394 7.039 146 1HG PRO 21 2HG PRO 21 6.373 10.125 8.302 147 2HG PRO 21 3HG PRO 21 4.760 10.731 8.624 148 1HD PRO 21 2HD PRO 21 5.444 8.387 7.119 149 2HD PRO 21 3HD PRO 21 3.841 9.057 7.344 150 H LEU 22 HN LEU 22 6.418 8.874 4.307 151 HA LEU 22 HA LEU 22 9.023 10.094 3.703 152 1HB LEU 22 2HB LEU 22 8.284 7.300 4.538 153 2HB LEU 22 3HB LEU 22 9.782 7.642 3.696 154 HG LEU 22 HG LEU 22 9.039 9.077 6.247 155 1HD1 LEU 22 1HD1 LEU 22 10.970 6.985 6.685 156 2HD1 LEU 22 2HD1 LEU 22 9.423 7.296 7.510 157 3HD1 LEU 22 3HD1 LEU 22 9.461 6.301 6.034 158 1HD2 LEU 22 1HD2 LEU 22 11.850 8.479 5.547 159 2HD2 LEU 22 2HD2 LEU 22 11.007 9.621 4.473 160 3HD2 LEU 22 3HD2 LEU 22 11.114 9.954 6.219 161 H ASP 23 HN ASP 23 8.109 6.927 2.479 162 HA ASP 23 HA ASP 23 6.774 7.691 0.206 163 1HB ASP 23 2HB ASP 23 8.999 8.846 -0.269 164 2HB ASP 23 3HB ASP 23 9.759 7.267 -0.277 165 H VAL 24 HN VAL 24 5.772 5.655 0.933 166 HA VAL 24 HA VAL 24 7.327 3.307 0.120 167 HB VAL 24 HB VAL 24 5.721 3.709 2.644 168 1HG1 VAL 24 1HG1 VAL 24 4.967 1.601 2.176 169 2HG1 VAL 24 2HG1 VAL 24 6.362 1.207 1.143 170 3HG1 VAL 24 3HG1 VAL 24 6.528 1.174 2.916 171 1HG2 VAL 24 1HG2 VAL 24 7.868 4.338 3.182 172 2HG2 VAL 24 2HG2 VAL 24 7.962 2.590 3.502 173 3HG2 VAL 24 3HG2 VAL 24 8.609 3.252 1.982 174 H LEU 25 HN LEU 25 3.995 4.126 1.329 175 HA LEU 25 HA LEU 25 2.799 2.338 -0.502 176 1HB LEU 25 2HB LEU 25 1.503 4.596 1.024 177 2HB LEU 25 3HB LEU 25 0.719 3.183 0.347 178 HG LEU 25 HG LEU 25 2.809 2.355 2.161 179 1HD1 LEU 25 1HD1 LEU 25 1.285 3.273 4.180 180 2HD1 LEU 25 2HD1 LEU 25 2.740 4.108 3.585 181 3HD1 LEU 25 3HD1 LEU 25 1.128 4.634 3.045 182 1HD2 LEU 25 1HD2 LEU 25 1.330 0.738 2.537 183 2HD2 LEU 25 2HD2 LEU 25 0.086 1.897 3.064 184 3HD2 LEU 25 3HD2 LEU 25 0.280 1.525 1.333 185 H GLU 26 HN GLU 26 3.890 3.039 -2.507 186 HA GLU 26 HA GLU 26 2.770 5.533 -3.508 187 1HB GLU 26 2HB GLU 26 5.157 3.920 -4.513 188 2HB GLU 26 3HB GLU 26 4.594 5.425 -5.215 189 1HG GLU 26 2HG GLU 26 4.978 5.654 -2.302 190 2HG GLU 26 3HG GLU 26 6.449 5.154 -3.113 191 H MET 27 HN MET 27 2.960 5.135 -6.264 192 HA MET 27 HA MET 27 0.836 3.223 -6.605 193 1HB MET 27 2HB MET 27 0.631 4.313 -8.854 194 2HB MET 27 3HB MET 27 0.646 5.515 -7.579 195 1HG MET 27 2HG MET 27 2.390 6.522 -8.631 196 2HG MET 27 3HG MET 27 3.380 5.136 -8.219 197 1HE MET 27 1HE MET 27 2.999 7.317 -10.752 198 2HE MET 27 2HE MET 27 2.514 6.532 -12.276 199 3HE MET 27 3HE MET 27 1.288 6.919 -11.043 200 H VAL 28 HN VAL 28 0.970 1.311 -7.787 201 HA VAL 28 HA VAL 28 3.546 0.791 -9.094 202 HB VAL 28 HB VAL 28 3.776 -1.262 -8.087 203 1HG1 VAL 28 1HG1 VAL 28 2.426 -0.247 -5.669 204 2HG1 VAL 28 2HG1 VAL 28 4.132 -0.674 -5.941 205 3HG1 VAL 28 3HG1 VAL 28 3.521 0.919 -6.448 206 1HG2 VAL 28 1HG2 VAL 28 0.853 -1.249 -8.056 207 2HG2 VAL 28 2HG2 VAL 28 1.991 -2.615 -8.130 208 3HG2 VAL 28 3HG2 VAL 28 1.547 -1.912 -6.556 209 HA PRO 29 HA PRO 29 1.146 -0.692 -12.367 210 1HB PRO 29 2HB PRO 29 2.569 -2.803 -13.359 211 2HB PRO 29 3HB PRO 29 2.985 -1.131 -13.679 212 1HG PRO 29 2HG PRO 29 4.300 -3.051 -11.856 213 2HG PRO 29 3HG PRO 29 4.926 -1.549 -12.507 214 1HD PRO 29 2HD PRO 29 3.938 -1.988 -9.850 215 2HD PRO 29 3HD PRO 29 4.456 -0.461 -10.537 216 H TRP 30 HN TRP 30 -0.861 -1.455 -12.246 217 HA TRP 30 HA TRP 30 -1.040 -4.196 -11.203 218 1HB TRP 30 2HB TRP 30 -1.766 -2.683 -9.465 219 2HB TRP 30 3HB TRP 30 -2.838 -1.852 -10.574 220 HD1 TRP 30 HD1 TRP 30 -5.278 -2.538 -9.959 221 HE1 TRP 30 HE1 TRP 30 -6.625 -4.716 -9.324 222 HE3 TRP 30 HE3 TRP 30 -1.260 -5.655 -9.950 223 HZ2 TRP 30 HZ2 TRP 30 -5.876 -7.438 -8.899 224 HZ3 TRP 30 HZ3 TRP 30 -1.654 -8.057 -9.415 225 HH2 TRP 30 HH2 TRP 30 -3.867 -8.960 -8.902 226 H ASP 31 HN ASP 31 -4.057 -2.788 -11.904 227 HA ASP 31 HA ASP 31 -4.215 -2.634 -14.581 228 1HB ASP 31 2HB ASP 31 -3.515 -5.263 -13.988 229 2HB ASP 31 3HB ASP 31 -5.260 -5.374 -14.103 230 H GLY 32 HN GLY 32 -5.717 -4.535 -11.858 231 1HA GLY 32 1HA GLY 32 -8.383 -4.233 -12.506 232 2HA GLY 32 2HA GLY 32 -7.739 -4.421 -10.886 233 H CYS 33 HN CYS 33 -6.069 -1.796 -11.550 234 HA CYS 33 HA CYS 33 -8.024 -0.069 -10.372 235 1HB CYS 33 2HB CYS 33 -5.127 -0.150 -10.613 236 2HB CYS 33 3HB CYS 33 -5.740 1.442 -11.016 237 HG CYS 33 HG CYS 33 -5.013 0.653 -8.334 238 H LYS 34 HN LYS 34 -8.596 2.068 -11.347 239 HA LYS 34 HA LYS 34 -9.445 1.815 -13.978 240 1HB LYS 34 2HB LYS 34 -9.933 3.514 -11.864 241 2HB LYS 34 3HB LYS 34 -9.106 4.569 -12.993 242 1HG LYS 34 2HG LYS 34 -11.397 2.758 -13.867 243 2HG LYS 34 3HG LYS 34 -11.680 4.367 -13.232 244 1HD LYS 34 2HD LYS 34 -9.624 4.690 -15.167 245 2HD LYS 34 3HD LYS 34 -10.759 3.570 -15.894 246 1HE LYS 34 2HE LYS 34 -12.469 5.136 -15.992 247 2HE LYS 34 3HE LYS 34 -11.977 5.931 -14.511 248 1HZ LYS 34 1HZ LYS 34 -11.186 7.448 -15.907 249 2HZ LYS 34 2HZ LYS 34 -9.919 6.440 -16.119 250 3HZ LYS 34 3HZ LYS 34 -11.147 6.444 -17.195 251 H ALA 35 HN ALA 35 -6.376 2.857 -12.580 252 HA ALA 35 HA ALA 35 -5.505 3.670 -15.268 253 1HB ALA 35 1HB ALA 35 -4.019 5.179 -14.257 254 2HB ALA 35 2HB ALA 35 -5.460 5.292 -13.219 255 3HB ALA 35 3HB ALA 35 -4.060 4.326 -12.695 256 H GLY 36 HN GLY 36 -5.790 0.917 -13.779 257 1HA GLY 36 1HA GLY 36 -4.619 -0.996 -13.606 258 2HA GLY 36 2HA GLY 36 -3.700 -0.408 -14.978 259 H GLN 37 HN GLN 37 -3.907 0.996 -11.648 260 HA GLN 37 HA GLN 37 -1.243 0.051 -11.117 261 1HB GLN 37 2HB GLN 37 -0.446 2.373 -10.529 262 2HB GLN 37 3HB GLN 37 -0.711 2.124 -12.243 263 1HG GLN 37 2HG GLN 37 -2.121 3.896 -12.250 264 2HG GLN 37 3HG GLN 37 -3.219 2.992 -11.226 265 1HE2 GLN 37 1HE2 GLN 37 -3.470 3.505 -9.140 266 2HE2 GLN 37 2HE2 GLN 37 -2.647 4.784 -8.311 267 H ILE 38 HN ILE 38 -1.296 -0.743 -9.062 268 HA ILE 38 HA ILE 38 -3.353 0.322 -7.280 269 HB ILE 38 HB ILE 38 -2.912 -2.202 -7.955 270 1HG1 ILE 38 2HG1 ILE 38 -3.533 -2.246 -5.147 271 2HG1 ILE 38 3HG1 ILE 38 -4.266 -0.826 -5.868 272 1HG2 ILE 38 1HG2 ILE 38 -1.481 -2.381 -5.378 273 2HG2 ILE 38 2HG2 ILE 38 -1.305 -3.338 -6.869 274 3HG2 ILE 38 3HG2 ILE 38 -0.529 -1.741 -6.740 275 1HD1 ILE 38 1HD1 ILE 38 -5.433 -3.275 -5.934 276 2HD1 ILE 38 2HD1 ILE 38 -5.686 -2.057 -7.208 277 3HD1 ILE 38 3HD1 ILE 38 -4.498 -3.362 -7.446 278 H ALA 39 HN ALA 39 -2.860 1.127 -5.206 279 HA ALA 39 HA ALA 39 -0.237 2.274 -5.030 280 1HB ALA 39 1HB ALA 39 -1.638 3.812 -4.137 281 2HB ALA 39 2HB ALA 39 -2.898 2.601 -3.799 282 3HB ALA 39 3HB ALA 39 -1.549 2.824 -2.660 283 H SER 40 HN SER 40 1.473 1.089 -4.339 284 HA SER 40 HA SER 40 1.157 -0.342 -1.880 285 1HB SER 40 2HB SER 40 1.792 -1.725 -4.506 286 2HB SER 40 3HB SER 40 2.373 -2.382 -2.989 287 HG SER 40 HG SER 40 0.395 -3.369 -3.339 288 H SER 41 HN SER 41 3.593 -1.622 -1.684 289 HA SER 41 HA SER 41 5.358 0.631 -1.740 290 1HB SER 41 2HB SER 41 6.046 -2.175 -0.798 291 2HB SER 41 3HB SER 41 6.774 -0.662 -0.295 292 HG SER 41 HG SER 41 3.968 -1.049 0.135 293 HA PRO 42 HA PRO 42 7.139 -0.826 -5.486 294 1HB PRO 42 2HB PRO 42 8.846 1.265 -5.906 295 2HB PRO 42 3HB PRO 42 7.167 1.284 -6.406 296 1HG PRO 42 2HG PRO 42 8.438 2.672 -4.126 297 2HG PRO 42 3HG PRO 42 6.894 3.000 -4.888 298 1HD PRO 42 2HD PRO 42 7.323 1.660 -2.389 299 2HD PRO 42 3HD PRO 42 5.790 1.886 -3.208 300 H ARG 43 HN ARG 43 9.440 0.716 -3.282 301 HA ARG 43 HA ARG 43 10.918 -1.775 -3.428 302 1HB ARG 43 2HB ARG 43 12.202 0.998 -3.595 303 2HB ARG 43 3HB ARG 43 13.056 -0.532 -3.632 304 1HG ARG 43 2HG ARG 43 10.877 -0.191 -5.665 305 2HG ARG 43 3HG ARG 43 12.296 0.815 -5.882 306 1HD ARG 43 2HD ARG 43 12.983 -1.083 -7.048 307 2HD ARG 43 3HD ARG 43 13.610 -1.477 -5.459 308 HE ARG 43 HE ARG 43 10.938 -2.435 -5.555 309 1HH1 ARG 43 1HH1 ARG 43 11.627 -5.628 -6.783 310 2HH1 ARG 43 2HH1 ARG 43 10.465 -4.631 -5.972 311 1HH2 ARG 43 1HH2 ARG 43 13.663 -4.733 -7.444 312 2HH2 ARG 43 2HH2 ARG 43 14.021 -3.068 -7.128 313 H THR 44 HN THR 44 10.009 1.244 -1.774 314 HA THR 44 HA THR 44 9.943 1.795 0.382 315 HB THR 44 HB THR 44 10.690 -1.136 0.873 316 HG1 THR 44 1HG THR 44 8.690 -1.264 -0.092 317 1HG2 THR 44 1HG2 THR 44 9.268 -0.747 2.948 318 2HG2 THR 44 2HG2 THR 44 10.805 0.151 2.967 319 3HG2 THR 44 3HG2 THR 44 9.287 0.993 2.571 320 H GLU 45 HN GLU 45 12.602 1.299 -1.372 321 HA GLU 45 HA GLU 45 14.727 0.916 0.155 322 1HB GLU 45 2HB GLU 45 15.973 2.352 -1.353 323 2HB GLU 45 3HB GLU 45 14.715 1.556 -2.276 324 1HG GLU 45 2HG GLU 45 13.322 3.544 -2.269 325 2HG GLU 45 3HG GLU 45 14.330 4.328 -1.069 326 H ASP 46 HN ASP 46 12.459 3.621 0.390 327 HA ASP 46 HA ASP 46 14.190 4.765 2.438 328 1HB ASP 46 2HB ASP 46 12.326 5.958 0.404 329 2HB ASP 46 3HB ASP 46 12.386 6.749 1.966 330 H CYS 47 HN CYS 47 13.369 4.556 4.530 331 HA CYS 47 HA CYS 47 10.975 5.151 5.470 332 1HB CYS 47 2HB CYS 47 9.604 3.790 4.198 333 2HB CYS 47 3HB CYS 47 10.770 2.485 4.114 334 H VAL 48 HN VAL 48 10.791 4.509 7.736 335 HA VAL 48 HA VAL 48 12.724 2.576 8.700 336 HB VAL 48 HB VAL 48 13.933 4.731 8.550 337 1HG1 VAL 48 1HG1 VAL 48 11.508 5.710 9.847 338 2HG1 VAL 48 2HG1 VAL 48 12.980 6.194 10.722 339 3HG1 VAL 48 3HG1 VAL 48 12.793 6.604 9.001 340 1HG2 VAL 48 1HG2 VAL 48 15.006 3.561 10.159 341 2HG2 VAL 48 2HG2 VAL 48 14.282 4.765 11.253 342 3HG2 VAL 48 3HG2 VAL 48 13.503 3.179 11.034 343 H GLY 49 HN GLY 49 9.851 2.547 8.446 344 1HA GLY 49 1HA GLY 49 7.993 2.169 9.655 345 2HA GLY 49 2HA GLY 49 9.077 1.642 10.928 346 H CYS 50 HN CYS 50 7.482 4.544 9.498 347 HA CYS 50 HA CYS 50 8.153 6.159 11.753 348 1HB CYS 50 2HB CYS 50 6.913 7.905 10.655 349 2HB CYS 50 3HB CYS 50 7.896 7.085 9.458 350 H LYS 51 HN LYS 51 5.258 7.341 11.553 351 HA LYS 51 HA LYS 51 4.205 6.451 13.842 352 1HB LYS 51 2HB LYS 51 3.220 7.825 11.472 353 2HB LYS 51 3HB LYS 51 1.959 6.869 12.224 354 1HG LYS 51 2HG LYS 51 3.144 8.000 14.448 355 2HG LYS 51 3HG LYS 51 3.398 9.266 13.264 356 1HD LYS 51 2HD LYS 51 0.869 8.967 12.672 357 2HD LYS 51 3HD LYS 51 0.755 8.058 14.166 358 1HE LYS 51 2HE LYS 51 0.689 9.972 15.381 359 2HE LYS 51 3HE LYS 51 2.217 10.499 14.703 360 1HZ LYS 51 1HZ LYS 51 0.129 10.757 12.827 361 2HZ LYS 51 2HZ LYS 51 -0.225 11.569 14.198 362 3HZ LYS 51 3HZ LYS 51 1.156 11.895 13.390 363 H ARG 52 HN ARG 52 2.882 5.223 10.689 364 HA ARG 52 HA ARG 52 3.305 2.587 11.193 365 1HB ARG 52 2HB ARG 52 1.380 3.516 13.005 366 2HB ARG 52 3HB ARG 52 0.397 2.835 11.725 367 1HG ARG 52 2HG ARG 52 2.344 0.884 12.005 368 2HG ARG 52 3HG ARG 52 2.207 1.468 13.652 369 1HD ARG 52 2HD ARG 52 -0.392 1.016 12.239 370 2HD ARG 52 3HD ARG 52 0.546 -0.428 12.560 371 HE ARG 52 HE ARG 52 -0.842 1.187 14.525 372 1HH1 ARG 52 1HH1 ARG 52 0.589 -0.415 17.275 373 2HH1 ARG 52 2HH1 ARG 52 -0.682 0.631 16.735 374 1HH2 ARG 52 1HH2 ARG 52 2.129 -1.251 15.754 375 2HH2 ARG 52 2HH2 ARG 52 2.008 -0.830 14.078 376 H CYS 53 HN CYS 53 1.503 1.182 9.874 377 HA CYS 53 HA CYS 53 0.076 2.656 7.912 378 1HB CYS 53 2HB CYS 53 1.442 1.489 6.001 379 2HB CYS 53 3HB CYS 53 1.968 3.027 6.655 380 H GLU 54 HN GLU 54 -0.916 0.930 9.749 381 HA GLU 54 HA GLU 54 -0.872 -1.718 8.604 382 1HB GLU 54 2HB GLU 54 -0.963 -0.809 11.212 383 2HB GLU 54 3HB GLU 54 -2.651 -1.179 10.924 384 1HG GLU 54 2HG GLU 54 -0.852 -3.272 9.872 385 2HG GLU 54 3HG GLU 54 -0.646 -3.024 11.595 386 H THR 55 HN THR 55 -2.412 1.075 7.844 387 HA THR 55 HA THR 55 -5.098 -0.027 7.625 388 HB THR 55 HB THR 55 -4.549 2.363 8.385 389 HG1 THR 55 1HG THR 55 -6.556 1.452 7.209 390 1HG2 THR 55 1HG2 THR 55 -3.847 3.987 6.807 391 2HG2 THR 55 2HG2 THR 55 -2.795 2.609 6.402 392 3HG2 THR 55 3HG2 THR 55 -4.242 2.943 5.420 393 H ALA 56 HN ALA 56 -2.634 -1.090 6.121 394 HA ALA 56 HA ALA 56 -2.642 -0.403 3.491 395 1HB ALA 56 1HB ALA 56 -1.877 -2.731 3.100 396 2HB ALA 56 2HB ALA 56 -1.100 -2.011 4.529 397 3HB ALA 56 3HB ALA 56 -2.430 -3.177 4.732 398 H CYS 57 HN CYS 57 -4.807 -2.816 5.127 399 HA CYS 57 HA CYS 57 -7.083 -2.107 3.829 400 1HB CYS 57 2HB CYS 57 -5.354 -3.331 1.943 401 2HB CYS 57 3HB CYS 57 -6.595 -4.514 2.308 402 HA PRO 58 HA PRO 58 -8.392 -5.318 6.466 403 1HB PRO 58 2HB PRO 58 -10.794 -6.107 5.429 404 2HB PRO 58 3HB PRO 58 -10.595 -4.654 6.386 405 1HG PRO 58 2HG PRO 58 -10.961 -4.913 3.464 406 2HG PRO 58 3HG PRO 58 -11.184 -3.500 4.477 407 1HD PRO 58 2HD PRO 58 -8.961 -4.036 2.746 408 2HD PRO 58 3HD PRO 58 -9.131 -2.682 3.845 409 H THR 59 HN THR 59 -9.658 -7.676 6.385 410 HA THR 59 HA THR 59 -7.616 -9.291 5.193 411 HB THR 59 HB THR 59 -10.250 -9.978 6.601 412 HG1 THR 59 1HG THR 59 -7.443 -9.550 7.327 413 1HG2 THR 59 1HG2 THR 59 -7.824 -11.714 6.799 414 2HG2 THR 59 2HG2 THR 59 -9.539 -12.178 6.697 415 3HG2 THR 59 3HG2 THR 59 -8.645 -11.746 5.220 416 H ASP 60 HN ASP 60 -10.441 -7.793 3.996 417 HA ASP 60 HA ASP 60 -11.618 -9.624 2.441 418 1HB ASP 60 2HB ASP 60 -11.270 -6.736 2.441 419 2HB ASP 60 3HB ASP 60 -11.242 -7.311 0.786 420 H PHE 61 HN PHE 61 -8.361 -8.269 2.198 421 HA PHE 61 HA PHE 61 -7.846 -10.009 -0.074 422 1HB PHE 61 2HB PHE 61 -8.282 -7.245 -0.328 423 2HB PHE 61 3HB PHE 61 -6.544 -7.306 -0.115 424 HD1 PHE 61 1HD PHE 61 -8.858 -6.996 -2.537 425 HD2 PHE 61 2HD PHE 61 -5.589 -9.525 -1.575 426 HE1 PHE 61 1HE PHE 61 -8.581 -7.562 -4.967 427 HE2 PHE 61 2HE PHE 61 -5.312 -10.090 -4.004 428 HZ PHE 61 HZ PHE 61 -6.811 -9.102 -5.671 429 H LEU 62 HN LEU 62 -6.165 -7.379 1.802 430 HA LEU 62 HA LEU 62 -3.709 -8.646 1.841 431 1HB LEU 62 2HB LEU 62 -4.776 -6.249 2.684 432 2HB LEU 62 3HB LEU 62 -4.305 -7.007 4.192 433 HG LEU 62 HG LEU 62 -2.390 -6.800 1.868 434 1HD1 LEU 62 1HD1 LEU 62 -2.654 -4.561 2.064 435 2HD1 LEU 62 2HD1 LEU 62 -3.300 -4.664 3.719 436 3HD1 LEU 62 3HD1 LEU 62 -1.548 -4.793 3.439 437 1HD2 LEU 62 1HD2 LEU 62 -1.055 -6.591 4.319 438 2HD2 LEU 62 2HD2 LEU 62 -2.282 -7.858 4.559 439 3HD2 LEU 62 3HD2 LEU 62 -1.107 -7.996 3.228 440 H SER 63 HN SER 63 -2.764 -10.225 3.077 441 HA SER 63 HA SER 63 -4.581 -11.639 4.804 442 1HB SER 63 2HB SER 63 -2.823 -12.553 2.967 443 2HB SER 63 3HB SER 63 -1.756 -12.562 4.359 444 HG SER 63 HG SER 63 -3.403 -14.479 3.738 445 H ILE 64 HN ILE 64 -3.500 -8.985 5.612 446 HA ILE 64 HA ILE 64 -2.229 -7.998 7.188 447 HB ILE 64 HB ILE 64 -2.888 -8.857 9.472 448 1HG1 ILE 64 2HG1 ILE 64 -3.185 -11.253 8.554 449 2HG1 ILE 64 3HG1 ILE 64 -4.315 -10.661 9.755 450 1HG2 ILE 64 1HG2 ILE 64 -4.643 -7.840 7.317 451 2HG2 ILE 64 2HG2 ILE 64 -5.468 -8.476 8.760 452 3HG2 ILE 64 3HG2 ILE 64 -4.274 -7.166 8.922 453 1HD1 ILE 64 1HD1 ILE 64 -6.078 -10.729 8.308 454 2HD1 ILE 64 2HD1 ILE 64 -5.128 -10.024 6.979 455 3HD1 ILE 64 3HD1 ILE 64 -5.026 -11.768 7.318 456 H ARG 65 HN ARG 65 -0.142 -8.634 6.238 457 HA ARG 65 HA ARG 65 1.089 -10.978 7.201 458 1HB ARG 65 2HB ARG 65 2.013 -8.553 5.620 459 2HB ARG 65 3HB ARG 65 3.195 -9.709 6.200 460 1HG ARG 65 2HG ARG 65 0.749 -10.519 4.565 461 2HG ARG 65 3HG ARG 65 2.295 -10.132 3.836 462 1HD ARG 65 2HD ARG 65 3.350 -12.044 4.704 463 2HD ARG 65 3HD ARG 65 2.270 -12.150 6.081 464 HE ARG 65 HE ARG 65 1.018 -12.600 3.438 465 1HH1 ARG 65 1HH1 ARG 65 0.336 -15.930 4.223 466 2HH1 ARG 65 2HH1 ARG 65 0.052 -14.642 3.100 467 1HH2 ARG 65 1HH2 ARG 65 1.697 -15.581 6.069 468 2HH2 ARG 65 2HH2 ARG 65 2.430 -14.032 6.325 469 H VAL 66 HN VAL 66 1.053 -10.836 9.530 470 HA VAL 66 HA VAL 66 1.708 -8.674 11.056 471 HB VAL 66 HB VAL 66 2.176 -11.627 11.483 472 1HG1 VAL 66 1HG1 VAL 66 3.683 -10.334 12.944 473 2HG1 VAL 66 2HG1 VAL 66 2.293 -9.402 13.549 474 3HG1 VAL 66 3HG1 VAL 66 2.402 -11.150 13.873 475 1HG2 VAL 66 1HG2 VAL 66 -0.174 -10.148 11.329 476 2HG2 VAL 66 2HG2 VAL 66 0.017 -11.756 12.067 477 3HG2 VAL 66 3HG2 VAL 66 0.121 -10.296 13.078 478 H TYR 67 HN TYR 67 3.382 -7.363 10.294 479 HA TYR 67 HA TYR 67 6.045 -8.560 10.584 480 1HB TYR 67 2HB TYR 67 4.671 -7.094 8.311 481 2HB TYR 67 3HB TYR 67 6.342 -6.656 8.600 482 HD1 TYR 67 HD1 TYR 67 7.942 -7.779 7.358 483 HD2 TYR 67 HD2 TYR 67 4.288 -9.792 8.305 484 HE1 TYR 67 HE1 TYR 67 8.697 -9.798 6.011 485 HE2 TYR 67 HE2 TYR 67 5.055 -11.804 6.954 486 HH TYR 67 HH TYR 67 7.826 -11.652 4.910 487 H LEU 68 HN LEU 68 4.015 -5.575 10.367 488 HA LEU 68 HA LEU 68 5.800 -3.684 11.078 489 1HB LEU 68 2HB LEU 68 2.912 -4.054 11.842 490 2HB LEU 68 3HB LEU 68 3.816 -2.623 12.298 491 HG LEU 68 HG LEU 68 3.518 -3.541 9.429 492 1HD1 LEU 68 1HD1 LEU 68 1.322 -3.030 10.627 493 2HD1 LEU 68 2HD1 LEU 68 1.892 -1.345 10.708 494 3HD1 LEU 68 3HD1 LEU 68 1.665 -2.133 9.128 495 1HD2 LEU 68 1HD2 LEU 68 4.340 -1.421 8.804 496 2HD2 LEU 68 2HD2 LEU 68 4.177 -0.778 10.455 497 3HD2 LEU 68 3HD2 LEU 68 5.423 -1.997 10.094 498 H GLY 69 HN GLY 69 7.436 -3.951 12.526 499 1HA GLY 69 1HA GLY 69 8.494 -4.614 14.425 500 2HA GLY 69 2HA GLY 69 7.250 -3.629 15.167 501 H ALA 70 HN ALA 70 7.628 -6.962 13.752 502 HA ALA 70 HA ALA 70 6.316 -7.987 16.161 503 1HB ALA 70 1HB ALA 70 4.860 -7.712 13.936 504 2HB ALA 70 2HB ALA 70 5.678 -9.234 13.508 505 3HB ALA 70 3HB ALA 70 4.695 -9.138 14.988 506 H GLU 71 HN GLU 71 7.944 -8.929 13.045 507 HA GLU 71 HA GLU 71 8.931 -11.307 14.049 508 1HB GLU 71 2HB GLU 71 9.265 -9.652 11.643 509 2HB GLU 71 3HB GLU 71 10.748 -10.485 12.068 510 1HG GLU 71 2HG GLU 71 9.464 -11.946 10.607 511 2HG GLU 71 3HG GLU 71 9.452 -12.648 12.214 512 H THR 72 HN THR 72 10.775 -8.236 13.373 513 HA THR 72 HA THR 72 12.821 -7.635 14.121 514 HB THR 72 HB THR 72 12.665 -7.158 16.618 515 HG1 THR 72 1HG THR 72 11.403 -8.763 17.516 516 1HG2 THR 72 1HG2 THR 72 10.990 -6.140 14.566 517 2HG2 THR 72 2HG2 THR 72 9.883 -6.552 15.898 518 3HG2 THR 72 3HG2 THR 72 11.235 -5.427 16.178 519 H THR 73 HN THR 73 13.567 -9.844 13.170 520 HA THR 73 HA THR 73 15.333 -10.951 15.153 521 HB THR 73 HB THR 73 13.290 -12.299 15.550 522 HG1 THR 73 1HG THR 73 15.488 -13.288 15.416 523 1HG2 THR 73 1HG2 THR 73 12.590 -11.949 12.957 524 2HG2 THR 73 2HG2 THR 73 13.495 -13.472 12.779 525 3HG2 THR 73 3HG2 THR 73 12.088 -13.394 13.867 526 H ARG 74 HN ARG 74 13.968 -11.129 11.820 527 HA ARG 74 HA ARG 74 16.560 -12.002 10.919 528 1HB ARG 74 2HB ARG 74 15.436 -12.316 8.723 529 2HB ARG 74 3HB ARG 74 14.536 -13.114 9.998 530 1HG ARG 74 2HG ARG 74 13.637 -10.350 9.739 531 2HG ARG 74 3HG ARG 74 13.581 -11.139 8.175 532 1HD ARG 74 2HD ARG 74 12.373 -12.334 10.715 533 2HD ARG 74 3HD ARG 74 11.458 -11.392 9.554 534 HE ARG 74 HE ARG 74 12.448 -14.138 9.194 535 1HH1 ARG 74 1HH1 ARG 74 11.019 -14.398 6.022 536 2HH1 ARG 74 2HH1 ARG 74 11.768 -15.260 7.324 537 1HH2 ARG 74 1HH2 ARG 74 10.706 -12.103 6.178 538 2HH2 ARG 74 2HH2 ARG 74 11.222 -11.253 7.596 539 H SER 75 HN SER 75 14.535 -9.140 11.162 540 HA SER 75 HA SER 75 16.577 -7.685 9.691 541 1HB SER 75 2HB SER 75 13.756 -7.949 8.991 542 2HB SER 75 3HB SER 75 14.141 -6.270 9.318 543 HG SER 75 HG SER 75 14.584 -6.624 7.133 544 H MET 76 HN MET 76 15.605 -8.304 12.627 545 HA MET 76 HA MET 76 14.436 -6.331 13.897 546 1HB MET 76 2HB MET 76 15.368 -8.088 15.221 547 2HB MET 76 3HB MET 76 16.960 -7.909 14.511 548 1HG MET 76 2HG MET 76 17.249 -5.724 15.692 549 2HG MET 76 3HG MET 76 15.648 -5.879 16.386 550 1HE MET 76 1HE MET 76 19.496 -6.889 17.516 551 2HE MET 76 2HE MET 76 18.485 -5.434 17.344 552 3HE MET 76 3HE MET 76 18.577 -6.274 18.911 553 H GLY 77 HN GLY 77 17.964 -6.233 13.006 554 1HA GLY 77 1HA GLY 77 17.950 -3.543 12.240 555 2HA GLY 77 2HA GLY 77 18.406 -3.610 13.931 556 H LEU 78 HN LEU 78 19.768 -6.154 13.965 557 HA LEU 78 HA LEU 78 22.070 -5.482 12.267 558 1HB LEU 78 2HB LEU 78 22.974 -5.166 14.300 559 2HB LEU 78 3HB LEU 78 21.800 -6.178 15.117 560 HG LEU 78 HG LEU 78 24.243 -6.929 15.127 561 1HD1 LEU 78 1HD1 LEU 78 23.083 -9.338 14.178 562 2HD1 LEU 78 2HD1 LEU 78 23.291 -8.790 15.859 563 3HD1 LEU 78 3HD1 LEU 78 21.796 -8.400 14.974 564 1HD2 LEU 78 1HD2 LEU 78 23.838 -6.784 12.302 565 2HD2 LEU 78 2HD2 LEU 78 25.314 -7.197 13.206 566 3HD2 LEU 78 3HD2 LEU 78 24.164 -8.476 12.747 567 H ALA 79 HN ALA 79 20.150 -8.150 13.779 568 HA ALA 79 HA ALA 79 21.329 -10.333 12.784 569 1HB ALA 79 1HB ALA 79 18.775 -11.051 12.395 570 2HB ALA 79 2HB ALA 79 19.447 -10.803 14.024 571 3HB ALA 79 3HB ALA 79 18.484 -9.520 13.254 572 H TYR 80 HN TYR 80 19.571 -7.838 10.946 573 HA TYR 80 HA TYR 80 19.104 -9.197 8.598 574 1HB TYR 80 2HB TYR 80 18.753 -6.966 7.825 575 2HB TYR 80 3HB TYR 80 18.692 -6.709 9.557 576 HD1 TYR 80 HD1 TYR 80 20.404 -5.911 6.488 577 HD2 TYR 80 HD2 TYR 80 20.799 -5.897 10.749 578 HE1 TYR 80 HE1 TYR 80 22.310 -4.237 6.313 579 HE2 TYR 80 HE2 TYR 80 22.703 -4.223 10.559 580 HH TYR 80 HH TYR 80 24.446 -3.691 8.647 Start of MODEL 18 1 H SER 1 HN SER 1 -7.413 -2.833 10.388 2 HA SER 1 HA SER 1 -6.238 -4.822 10.710 3 1HB SER 1 2HB SER 1 -6.080 -5.616 8.486 4 2HB SER 1 3HB SER 1 -7.213 -4.285 8.376 5 HG SER 1 HG SER 1 -4.478 -4.406 7.518 6 H HIS 2 HN HIS 2 -4.103 -6.042 9.759 7 HA HIS 2 HA HIS 2 -1.861 -4.251 10.362 8 1HB HIS 2 2HB HIS 2 -0.722 -6.175 11.360 9 2HB HIS 2 3HB HIS 2 -2.218 -5.792 12.190 10 HD1 HIS 2 HD1 HIS 2 -2.149 -8.307 13.090 11 HD2 HIS 2 HD2 HIS 2 -2.709 -7.880 8.954 12 HE1 HIS 2 HE1 HIS 2 -2.978 -10.568 12.244 13 H SER 3 HN SER 3 0.307 -5.519 9.540 14 HA SER 3 HA SER 3 1.499 -6.048 7.806 15 1HB SER 3 2HB SER 3 0.880 -7.925 6.475 16 2HB SER 3 3HB SER 3 0.084 -8.179 8.015 17 HG SER 3 HG SER 3 -1.096 -7.196 5.565 18 H VAL 4 HN VAL 4 1.917 -5.516 5.500 19 HA VAL 4 HA VAL 4 -0.200 -4.018 4.183 20 HB VAL 4 HB VAL 4 2.497 -2.875 4.933 21 1HG1 VAL 4 1HG1 VAL 4 2.156 -1.068 3.522 22 2HG1 VAL 4 2HG1 VAL 4 1.526 -2.414 2.542 23 3HG1 VAL 4 3HG1 VAL 4 0.401 -1.345 3.413 24 1HG2 VAL 4 1HG2 VAL 4 0.943 -1.053 5.899 25 2HG2 VAL 4 2HG2 VAL 4 -0.341 -2.280 5.777 26 3HG2 VAL 4 3HG2 VAL 4 1.092 -2.587 6.788 27 H LYS 5 HN LYS 5 3.325 -4.908 4.046 28 HA LYS 5 HA LYS 5 4.573 -5.535 2.310 29 1HB LYS 5 2HB LYS 5 2.897 -7.525 3.053 30 2HB LYS 5 3HB LYS 5 2.472 -7.410 1.357 31 1HG LYS 5 2HG LYS 5 5.118 -7.359 1.004 32 2HG LYS 5 3HG LYS 5 5.148 -8.086 2.598 33 1HD LYS 5 2HD LYS 5 5.111 -9.897 0.993 34 2HD LYS 5 3HD LYS 5 3.536 -9.860 1.761 35 1HE LYS 5 2HE LYS 5 2.482 -8.900 -0.146 36 2HE LYS 5 3HE LYS 5 3.993 -8.312 -0.809 37 1HZ LYS 5 1HZ LYS 5 4.595 -10.439 -1.450 38 2HZ LYS 5 2HZ LYS 5 3.510 -11.178 -0.479 39 3HZ LYS 5 3HZ LYS 5 3.003 -10.381 -1.812 40 H ILE 6 HN ILE 6 4.036 -6.444 -0.299 41 HA ILE 6 HA ILE 6 2.818 -4.028 -1.441 42 HB ILE 6 HB ILE 6 5.057 -5.761 -2.494 43 1HG1 ILE 6 2HG1 ILE 6 5.865 -3.078 -2.224 44 2HG1 ILE 6 3HG1 ILE 6 5.009 -3.452 -0.741 45 1HG2 ILE 6 1HG2 ILE 6 4.612 -3.209 -3.831 46 2HG2 ILE 6 2HG2 ILE 6 4.833 -4.840 -4.509 47 3HG2 ILE 6 3HG2 ILE 6 3.220 -4.307 -3.980 48 1HD1 ILE 6 1HD1 ILE 6 6.508 -5.757 -1.116 49 2HD1 ILE 6 2HD1 ILE 6 7.594 -4.492 -1.736 50 3HD1 ILE 6 3HD1 ILE 6 6.974 -4.394 -0.071 51 H TYR 7 HN TYR 7 0.801 -5.459 -0.938 52 HA TYR 7 HA TYR 7 0.455 -7.528 -2.966 53 1HB TYR 7 2HB TYR 7 -0.962 -6.489 -0.454 54 2HB TYR 7 3HB TYR 7 -1.823 -7.557 -1.545 55 HD1 TYR 7 HD1 TYR 7 0.028 -9.604 -2.314 56 HD2 TYR 7 HD2 TYR 7 -0.320 -7.621 1.461 57 HE1 TYR 7 HE1 TYR 7 1.065 -11.615 -1.153 58 HE2 TYR 7 HE2 TYR 7 0.718 -9.639 2.608 59 HH TYR 7 HH TYR 7 1.033 -12.615 1.082 60 H ASP 8 HN ASP 8 -1.703 -7.575 -4.137 61 HA ASP 8 HA ASP 8 -2.090 -4.973 -5.261 62 1HB ASP 8 2HB ASP 8 -3.753 -6.337 -6.735 63 2HB ASP 8 3HB ASP 8 -2.040 -6.663 -6.907 64 H THR 9 HN THR 9 -2.943 -5.043 -2.562 65 HA THR 9 HA THR 9 -5.849 -5.418 -2.679 66 HB THR 9 HB THR 9 -4.489 -6.535 -0.864 67 HG1 THR 9 1HG THR 9 -6.753 -5.602 -0.659 68 1HG2 THR 9 1HG2 THR 9 -3.312 -5.301 0.765 69 2HG2 THR 9 2HG2 THR 9 -2.920 -4.371 -0.701 70 3HG2 THR 9 3HG2 THR 9 -4.196 -3.799 0.401 71 H CYS 10 HN CYS 10 -6.614 -3.647 -3.797 72 HA CYS 10 HA CYS 10 -6.536 -1.212 -2.268 73 1HB CYS 10 2HB CYS 10 -4.532 -1.189 -3.900 74 2HB CYS 10 3HB CYS 10 -5.724 -1.018 -5.173 75 H ILE 11 HN ILE 11 -8.254 0.313 -3.088 76 HA ILE 11 HA ILE 11 -10.130 -0.970 -4.925 77 HB ILE 11 HB ILE 11 -11.996 -0.419 -3.451 78 1HG1 ILE 11 2HG1 ILE 11 -11.061 -0.107 -0.923 79 2HG1 ILE 11 3HG1 ILE 11 -9.840 0.787 -1.807 80 1HG2 ILE 11 1HG2 ILE 11 -9.854 -2.278 -2.421 81 2HG2 ILE 11 2HG2 ILE 11 -11.451 -2.147 -1.647 82 3HG2 ILE 11 3HG2 ILE 11 -11.325 -2.665 -3.346 83 1HD1 ILE 11 1HD1 ILE 11 -11.462 2.271 -2.774 84 2HD1 ILE 11 2HD1 ILE 11 -12.814 1.218 -2.296 85 3HD1 ILE 11 3HD1 ILE 11 -11.908 2.120 -1.058 86 H GLY 12 HN GLY 12 -9.046 1.951 -3.116 87 1HA GLY 12 1HA GLY 12 -8.614 3.767 -4.875 88 2HA GLY 12 2HA GLY 12 -10.336 3.630 -5.165 89 H CYS 13 HN CYS 13 -8.506 3.399 -2.045 90 HA CYS 13 HA CYS 13 -10.161 5.621 -1.101 91 1HB CYS 13 2HB CYS 13 -10.451 4.568 0.871 92 2HB CYS 13 3HB CYS 13 -10.036 3.126 -0.034 93 H THR 14 HN THR 14 -9.019 7.103 0.499 94 HA THR 14 HA THR 14 -6.248 7.488 -0.379 95 HB THR 14 HB THR 14 -7.820 9.360 -0.764 96 HG1 THR 14 1HG THR 14 -6.254 10.705 0.093 97 1HG2 THR 14 1HG2 THR 14 -9.552 9.338 0.826 98 2HG2 THR 14 2HG2 THR 14 -8.465 8.844 2.145 99 3HG2 THR 14 3HG2 THR 14 -8.461 10.529 1.571 100 H GLN 15 HN GLN 15 -6.409 5.332 1.265 101 HA GLN 15 HA GLN 15 -5.356 6.471 3.732 102 1HB GLN 15 2HB GLN 15 -6.676 5.159 5.044 103 2HB GLN 15 3HB GLN 15 -7.699 5.045 3.626 104 1HG GLN 15 2HG GLN 15 -6.309 2.999 2.921 105 2HG GLN 15 3HG GLN 15 -5.549 3.065 4.500 106 1HE2 GLN 15 1HE2 GLN 15 -6.638 0.819 4.208 107 2HE2 GLN 15 2HE2 GLN 15 -8.195 0.634 4.942 108 H CYS 16 HN CYS 16 -3.439 5.517 4.535 109 HA CYS 16 HA CYS 16 -1.734 4.082 4.632 110 1HB CYS 16 2HB CYS 16 -1.832 1.978 3.814 111 2HB CYS 16 3HB CYS 16 -3.504 2.389 3.489 112 H VAL 17 HN VAL 17 -2.846 4.981 1.297 113 HA VAL 17 HA VAL 17 -0.137 5.420 0.435 114 HB VAL 17 HB VAL 17 -2.690 6.169 -0.984 115 1HG1 VAL 17 1HG1 VAL 17 -1.425 6.461 -2.828 116 2HG1 VAL 17 2HG1 VAL 17 -0.078 6.611 -1.675 117 3HG1 VAL 17 3HG1 VAL 17 -0.398 5.051 -2.471 118 1HG2 VAL 17 1HG2 VAL 17 -2.497 3.873 -2.053 119 2HG2 VAL 17 2HG2 VAL 17 -1.384 3.448 -0.731 120 3HG2 VAL 17 3HG2 VAL 17 -3.065 3.904 -0.367 121 H ARG 18 HN ARG 18 -1.992 7.032 2.586 122 HA ARG 18 HA ARG 18 -0.937 9.578 1.657 123 1HB ARG 18 2HB ARG 18 -3.703 8.856 2.230 124 2HB ARG 18 3HB ARG 18 -3.186 10.085 3.367 125 1HG ARG 18 2HG ARG 18 -4.013 11.318 1.503 126 2HG ARG 18 3HG ARG 18 -2.270 11.394 1.334 127 1HD ARG 18 2HD ARG 18 -2.863 9.054 -0.048 128 2HD ARG 18 3HD ARG 18 -4.276 10.033 -0.389 129 HE ARG 18 HE ARG 18 -1.518 10.563 -1.268 130 1HH1 ARG 18 1HH1 ARG 18 -2.473 13.419 -3.031 131 2HH1 ARG 18 2HH1 ARG 18 -1.203 12.276 -2.747 132 1HH2 ARG 18 1HH2 ARG 18 -4.495 13.211 -1.911 133 2HH2 ARG 18 2HH2 ARG 18 -4.733 11.912 -0.790 134 H ALA 19 HN ALA 19 -2.158 7.623 4.458 135 HA ALA 19 HA ALA 19 -1.440 9.130 6.562 136 1HB ALA 19 1HB ALA 19 -2.431 6.723 6.374 137 2HB ALA 19 2HB ALA 19 -0.735 6.190 6.480 138 3HB ALA 19 3HB ALA 19 -1.455 7.135 7.805 139 H CYS 20 HN CYS 20 0.785 6.725 4.973 140 HA CYS 20 HA CYS 20 3.028 7.186 6.330 141 1HB CYS 20 2HB CYS 20 2.842 5.568 4.492 142 2HB CYS 20 3HB CYS 20 2.829 6.868 3.318 143 HA PRO 21 HA PRO 21 3.582 11.506 5.610 144 1HB PRO 21 2HB PRO 21 5.530 11.914 7.482 145 2HB PRO 21 3HB PRO 21 3.819 11.968 7.853 146 1HG PRO 21 2HG PRO 21 5.783 9.846 8.469 147 2HG PRO 21 3HG PRO 21 4.205 10.122 9.181 148 1HD PRO 21 2HD PRO 21 4.887 8.123 7.241 149 2HD PRO 21 3HD PRO 21 3.288 8.474 7.865 150 H LEU 22 HN LEU 22 6.241 9.236 5.811 151 HA LEU 22 HA LEU 22 8.179 10.792 4.647 152 1HB LEU 22 2HB LEU 22 7.623 7.869 4.820 153 2HB LEU 22 3HB LEU 22 8.876 8.406 3.719 154 HG LEU 22 HG LEU 22 9.591 9.773 5.959 155 1HD1 LEU 22 1HD1 LEU 22 7.638 8.467 7.096 156 2HD1 LEU 22 2HD1 LEU 22 8.801 7.119 7.116 157 3HD1 LEU 22 3HD1 LEU 22 9.197 8.649 7.935 158 1HD2 LEU 22 1HD2 LEU 22 11.204 7.832 6.343 159 2HD2 LEU 22 2HD2 LEU 22 10.376 7.025 4.990 160 3HD2 LEU 22 3HD2 LEU 22 11.199 8.582 4.730 161 H ASP 23 HN ASP 23 7.126 8.099 2.595 162 HA ASP 23 HA ASP 23 5.631 9.476 0.774 163 1HB ASP 23 2HB ASP 23 8.129 10.550 0.649 164 2HB ASP 23 3HB ASP 23 8.368 9.195 -0.437 165 H VAL 24 HN VAL 24 5.747 6.888 1.964 166 HA VAL 24 HA VAL 24 6.794 5.144 -0.134 167 HB VAL 24 HB VAL 24 5.803 4.591 2.670 168 1HG1 VAL 24 1HG1 VAL 24 6.851 2.754 0.505 169 2HG1 VAL 24 2HG1 VAL 24 6.904 2.323 2.231 170 3HG1 VAL 24 3HG1 VAL 24 5.340 2.627 1.437 171 1HG2 VAL 24 1HG2 VAL 24 7.865 5.075 3.362 172 2HG2 VAL 24 2HG2 VAL 24 8.544 3.876 2.235 173 3HG2 VAL 24 3HG2 VAL 24 8.304 5.559 1.707 174 H LEU 25 HN LEU 25 5.329 3.160 -0.607 175 HA LEU 25 HA LEU 25 3.430 2.326 -1.369 176 1HB LEU 25 2HB LEU 25 1.967 4.373 0.299 177 2HB LEU 25 3HB LEU 25 1.322 2.883 -0.362 178 HG LEU 25 HG LEU 25 3.473 2.016 1.169 179 1HD1 LEU 25 1HD1 LEU 25 2.923 4.614 2.059 180 2HD1 LEU 25 2HD1 LEU 25 2.157 3.535 3.248 181 3HD1 LEU 25 3HD1 LEU 25 3.891 3.366 2.880 182 1HD2 LEU 25 1HD2 LEU 25 0.860 1.397 0.885 183 2HD2 LEU 25 2HD2 LEU 25 1.910 0.729 2.159 184 3HD2 LEU 25 3HD2 LEU 25 0.841 2.106 2.517 185 H GLU 26 HN GLU 26 4.399 3.308 -3.377 186 HA GLU 26 HA GLU 26 2.851 5.606 -4.254 187 1HB GLU 26 2HB GLU 26 5.282 4.384 -5.620 188 2HB GLU 26 3HB GLU 26 4.570 5.954 -5.933 189 1HG GLU 26 2HG GLU 26 5.182 5.759 -3.103 190 2HG GLU 26 3HG GLU 26 6.600 5.289 -4.017 191 H MET 27 HN MET 27 3.063 5.231 -7.065 192 HA MET 27 HA MET 27 0.992 3.317 -7.390 193 1HB MET 27 2HB MET 27 2.567 4.987 -9.430 194 2HB MET 27 3HB MET 27 1.081 4.128 -9.782 195 1HG MET 27 2HG MET 27 0.151 6.192 -9.301 196 2HG MET 27 3HG MET 27 0.188 5.559 -7.667 197 1HE MET 27 1HE MET 27 0.108 8.714 -7.887 198 2HE MET 27 2HE MET 27 0.166 7.634 -6.473 199 3HE MET 27 3HE MET 27 1.314 8.988 -6.607 200 H VAL 28 HN VAL 28 1.054 1.310 -8.454 201 HA VAL 28 HA VAL 28 3.642 0.489 -9.532 202 HB VAL 28 HB VAL 28 3.741 -1.472 -8.267 203 1HG1 VAL 28 1HG1 VAL 28 2.874 0.823 -6.484 204 2HG1 VAL 28 2HG1 VAL 28 3.601 -0.683 -5.874 205 3HG1 VAL 28 3HG1 VAL 28 4.528 0.375 -6.964 206 1HG2 VAL 28 1HG2 VAL 28 1.487 -1.379 -6.510 207 2HG2 VAL 28 2HG2 VAL 28 0.896 -1.249 -8.184 208 3HG2 VAL 28 3HG2 VAL 28 1.918 -2.625 -7.705 209 HA PRO 29 HA PRO 29 1.175 -1.392 -12.540 210 1HB PRO 29 2HB PRO 29 2.588 -3.617 -13.261 211 2HB PRO 29 3HB PRO 29 2.993 -2.004 -13.812 212 1HG PRO 29 2HG PRO 29 4.344 -3.659 -11.769 213 2HG PRO 29 3HG PRO 29 4.956 -2.260 -12.629 214 1HD PRO 29 2HD PRO 29 4.015 -2.334 -9.919 215 2HD PRO 29 3HD PRO 29 4.517 -0.914 -10.815 216 H TRP 30 HN TRP 30 -0.821 -2.157 -12.324 217 HA TRP 30 HA TRP 30 -0.977 -4.746 -10.947 218 1HB TRP 30 2HB TRP 30 -1.610 -3.084 -9.327 219 2HB TRP 30 3HB TRP 30 -2.700 -2.313 -10.461 220 HD1 TRP 30 HD1 TRP 30 -5.121 -2.847 -9.650 221 HE1 TRP 30 HE1 TRP 30 -6.514 -4.922 -8.801 222 HE3 TRP 30 HE3 TRP 30 -1.231 -6.121 -9.646 223 HZ2 TRP 30 HZ2 TRP 30 -5.847 -7.638 -8.238 224 HZ3 TRP 30 HZ3 TRP 30 -1.687 -8.466 -8.934 225 HH2 TRP 30 HH2 TRP 30 -3.900 -9.242 -8.245 226 H ASP 31 HN ASP 31 -4.010 -3.360 -11.648 227 HA ASP 31 HA ASP 31 -4.294 -3.481 -14.316 228 1HB ASP 31 2HB ASP 31 -3.594 -6.046 -13.495 229 2HB ASP 31 3HB ASP 31 -5.344 -6.142 -13.501 230 H GLY 32 HN GLY 32 -5.703 -5.103 -11.369 231 1HA GLY 32 1HA GLY 32 -8.391 -4.775 -11.933 232 2HA GLY 32 2HA GLY 32 -7.683 -4.879 -10.333 233 H CYS 33 HN CYS 33 -5.981 -2.345 -11.303 234 HA CYS 33 HA CYS 33 -7.785 -0.489 -10.097 235 1HB CYS 33 2HB CYS 33 -4.925 -0.640 -10.645 236 2HB CYS 33 3HB CYS 33 -5.571 0.936 -11.056 237 HG CYS 33 HG CYS 33 -5.367 1.705 -8.822 238 H LYS 34 HN LYS 34 -8.387 1.601 -11.174 239 HA LYS 34 HA LYS 34 -9.519 1.171 -13.676 240 1HB LYS 34 2HB LYS 34 -9.585 3.138 -11.655 241 2HB LYS 34 3HB LYS 34 -9.110 3.980 -13.116 242 1HG LYS 34 2HG LYS 34 -11.368 1.987 -13.305 243 2HG LYS 34 3HG LYS 34 -11.694 3.525 -12.532 244 1HD LYS 34 2HD LYS 34 -10.187 3.752 -15.087 245 2HD LYS 34 3HD LYS 34 -11.792 3.071 -15.265 246 1HE LYS 34 2HE LYS 34 -12.678 5.046 -13.885 247 2HE LYS 34 3HE LYS 34 -11.076 5.750 -13.987 248 1HZ LYS 34 1HZ LYS 34 -11.867 6.602 -15.864 249 2HZ LYS 34 2HZ LYS 34 -11.571 5.139 -16.529 250 3HZ LYS 34 3HZ LYS 34 -13.075 5.513 -16.014 251 H ALA 35 HN ALA 35 -6.297 2.217 -12.686 252 HA ALA 35 HA ALA 35 -5.689 2.771 -15.509 253 1HB ALA 35 1HB ALA 35 -3.585 3.799 -14.095 254 2HB ALA 35 2HB ALA 35 -5.020 4.735 -14.576 255 3HB ALA 35 3HB ALA 35 -4.918 4.041 -12.940 256 H GLY 36 HN GLY 36 -5.855 0.181 -13.738 257 1HA GLY 36 1HA GLY 36 -4.715 -1.746 -13.553 258 2HA GLY 36 2HA GLY 36 -3.845 -1.254 -14.993 259 H GLN 37 HN GLN 37 -3.880 0.440 -11.806 260 HA GLN 37 HA GLN 37 -1.219 -0.540 -11.294 261 1HB GLN 37 2HB GLN 37 -0.372 1.808 -10.902 262 2HB GLN 37 3HB GLN 37 -0.696 1.433 -12.583 263 1HG GLN 37 2HG GLN 37 -2.074 3.229 -12.675 264 2HG GLN 37 3HG GLN 37 -3.160 2.411 -11.568 265 1HE2 GLN 37 1HE2 GLN 37 -3.418 3.136 -9.564 266 2HE2 GLN 37 2HE2 GLN 37 -2.539 4.432 -8.825 267 H ILE 38 HN ILE 38 -1.104 -1.101 -9.161 268 HA ILE 38 HA ILE 38 -3.142 0.023 -7.398 269 HB ILE 38 HB ILE 38 -2.638 -2.512 -7.833 270 1HG1 ILE 38 2HG1 ILE 38 -2.969 -2.342 -4.987 271 2HG1 ILE 38 3HG1 ILE 38 -3.821 -1.002 -5.728 272 1HG2 ILE 38 1HG2 ILE 38 -1.153 -3.360 -5.929 273 2HG2 ILE 38 2HG2 ILE 38 -0.347 -2.678 -7.362 274 3HG2 ILE 38 3HG2 ILE 38 -0.487 -1.710 -5.875 275 1HD1 ILE 38 1HD1 ILE 38 -4.857 -2.676 -7.359 276 2HD1 ILE 38 2HD1 ILE 38 -4.147 -3.966 -6.360 277 3HD1 ILE 38 3HD1 ILE 38 -5.358 -2.865 -5.662 278 H ALA 39 HN ALA 39 -2.601 0.972 -5.372 279 HA ALA 39 HA ALA 39 -0.035 2.288 -5.437 280 1HB ALA 39 1HB ALA 39 -1.902 3.664 -4.889 281 2HB ALA 39 2HB ALA 39 -2.524 2.483 -3.711 282 3HB ALA 39 3HB ALA 39 -1.040 3.399 -3.354 283 H SER 40 HN SER 40 1.730 1.217 -4.698 284 HA SER 40 HA SER 40 1.531 0.054 -2.083 285 1HB SER 40 2HB SER 40 1.753 -1.561 -4.556 286 2HB SER 40 3HB SER 40 3.000 -1.922 -3.379 287 HG SER 40 HG SER 40 1.501 -2.618 -1.913 288 H SER 41 HN SER 41 4.022 -1.081 -1.800 289 HA SER 41 HA SER 41 5.681 1.227 -2.123 290 1HB SER 41 2HB SER 41 6.380 -1.468 -0.882 291 2HB SER 41 3HB SER 41 7.252 0.036 -0.667 292 HG SER 41 HG SER 41 5.421 0.924 0.440 293 HA PRO 42 HA PRO 42 7.655 -0.393 -5.667 294 1HB PRO 42 2HB PRO 42 9.681 1.426 -5.900 295 2HB PRO 42 3HB PRO 42 8.058 1.718 -6.493 296 1HG PRO 42 2HG PRO 42 9.379 2.818 -4.089 297 2HG PRO 42 3HG PRO 42 7.953 3.404 -4.922 298 1HD PRO 42 2HD PRO 42 8.018 1.932 -2.461 299 2HD PRO 42 3HD PRO 42 6.591 2.417 -3.355 300 H ARG 43 HN ARG 43 9.982 0.678 -3.224 301 HA ARG 43 HA ARG 43 11.007 -2.008 -3.253 302 1HB ARG 43 2HB ARG 43 12.782 0.431 -3.772 303 2HB ARG 43 3HB ARG 43 13.373 -1.199 -3.518 304 1HG ARG 43 2HG ARG 43 12.152 -1.982 -5.537 305 2HG ARG 43 3HG ARG 43 11.481 -0.382 -5.774 306 1HD ARG 43 2HD ARG 43 13.871 0.509 -5.957 307 2HD ARG 43 3HD ARG 43 14.435 -1.150 -5.914 308 HE ARG 43 HE ARG 43 13.021 0.168 -8.139 309 1HH1 ARG 43 1HH1 ARG 43 13.311 -2.656 -10.167 310 2HH1 ARG 43 2HH1 ARG 43 12.901 -0.974 -10.114 311 1HH2 ARG 43 1HH2 ARG 43 13.982 -3.749 -8.233 312 2HH2 ARG 43 2HH2 ARG 43 14.073 -2.882 -6.735 313 H THR 44 HN THR 44 9.630 0.242 -1.509 314 HA THR 44 HA THR 44 9.872 1.200 0.523 315 HB THR 44 HB THR 44 10.843 -1.643 1.124 316 HG1 THR 44 1HG THR 44 8.701 -2.161 0.685 317 1HG2 THR 44 1HG2 THR 44 8.887 0.073 2.708 318 2HG2 THR 44 2HG2 THR 44 9.774 -1.375 3.246 319 3HG2 THR 44 3HG2 THR 44 10.636 0.167 3.021 320 H GLU 45 HN GLU 45 12.275 1.472 -1.241 321 HA GLU 45 HA GLU 45 14.558 1.068 0.269 322 1HB GLU 45 2HB GLU 45 15.622 2.654 -1.312 323 2HB GLU 45 3HB GLU 45 14.606 1.499 -2.153 324 1HG GLU 45 2HG GLU 45 12.876 3.106 -2.530 325 2HG GLU 45 3HG GLU 45 13.485 4.189 -1.294 326 H ASP 46 HN ASP 46 12.060 3.579 0.343 327 HA ASP 46 HA ASP 46 13.697 5.018 2.278 328 1HB ASP 46 2HB ASP 46 11.877 5.863 0.109 329 2HB ASP 46 3HB ASP 46 11.492 6.638 1.632 330 H CYS 47 HN CYS 47 13.010 3.663 4.090 331 HA CYS 47 HA CYS 47 10.859 4.484 5.506 332 1HB CYS 47 2HB CYS 47 9.185 3.717 4.095 333 2HB CYS 47 3HB CYS 47 10.089 2.302 3.594 334 H VAL 48 HN VAL 48 10.705 3.248 7.537 335 HA VAL 48 HA VAL 48 12.474 0.945 7.732 336 HB VAL 48 HB VAL 48 13.576 1.919 9.717 337 1HG1 VAL 48 1HG1 VAL 48 13.903 3.287 7.038 338 2HG1 VAL 48 2HG1 VAL 48 14.996 3.597 8.409 339 3HG1 VAL 48 3HG1 VAL 48 14.860 1.956 7.731 340 1HG2 VAL 48 1HG2 VAL 48 12.218 3.598 10.561 341 2HG2 VAL 48 2HG2 VAL 48 13.489 4.537 9.741 342 3HG2 VAL 48 3HG2 VAL 48 11.909 4.305 8.957 343 H GLY 49 HN GLY 49 10.234 3.251 9.404 344 1HA GLY 49 1HA GLY 49 8.167 1.767 10.025 345 2HA GLY 49 2HA GLY 49 9.326 1.077 11.143 346 H CYS 50 HN CYS 50 7.946 4.250 10.062 347 HA CYS 50 HA CYS 50 8.814 5.546 12.445 348 1HB CYS 50 2HB CYS 50 7.642 7.495 11.580 349 2HB CYS 50 3HB CYS 50 8.617 6.767 10.318 350 H LYS 51 HN LYS 51 5.976 3.774 11.255 351 HA LYS 51 HA LYS 51 4.356 2.838 12.506 352 1HB LYS 51 2HB LYS 51 5.966 3.624 14.536 353 2HB LYS 51 3HB LYS 51 4.588 4.662 14.840 354 1HG LYS 51 2HG LYS 51 3.423 2.166 14.244 355 2HG LYS 51 3HG LYS 51 4.839 1.748 15.186 356 1HD LYS 51 2HD LYS 51 4.041 3.656 16.817 357 2HD LYS 51 3HD LYS 51 2.503 3.514 15.989 358 1HE LYS 51 2HE LYS 51 3.176 0.844 16.511 359 2HE LYS 51 3HE LYS 51 3.763 1.677 17.936 360 1HZ LYS 51 1HZ LYS 51 1.700 2.043 18.593 361 2HZ LYS 51 2HZ LYS 51 1.206 2.601 17.141 362 3HZ LYS 51 3HZ LYS 51 1.198 0.996 17.444 363 H ARG 52 HN ARG 52 3.728 4.365 10.482 364 HA ARG 52 HA ARG 52 1.462 5.799 11.484 365 1HB ARG 52 2HB ARG 52 3.842 7.140 10.346 366 2HB ARG 52 3HB ARG 52 2.374 7.556 9.485 367 1HG ARG 52 2HG ARG 52 1.678 8.891 11.183 368 2HG ARG 52 3HG ARG 52 1.837 7.586 12.342 369 1HD ARG 52 2HD ARG 52 4.490 8.529 11.596 370 2HD ARG 52 3HD ARG 52 3.506 9.897 12.077 371 HE ARG 52 HE ARG 52 2.997 7.947 14.020 372 1HH1 ARG 52 1HH1 ARG 52 5.720 8.473 16.137 373 2HH1 ARG 52 2HH1 ARG 52 4.126 7.810 16.002 374 1HH2 ARG 52 1HH2 ARG 52 6.710 9.500 14.306 375 2HH2 ARG 52 2HH2 ARG 52 5.853 9.604 12.804 376 H CYS 53 HN CYS 53 1.440 3.345 10.219 377 HA CYS 53 HA CYS 53 0.138 4.024 7.738 378 1HB CYS 53 2HB CYS 53 1.383 2.103 6.567 379 2HB CYS 53 3HB CYS 53 2.212 3.638 6.729 380 H GLU 54 HN GLU 54 -0.712 3.199 10.411 381 HA GLU 54 HA GLU 54 -1.262 0.387 10.134 382 1HB GLU 54 2HB GLU 54 -1.086 2.295 12.320 383 2HB GLU 54 3HB GLU 54 -2.625 1.460 12.395 384 1HG GLU 54 2HG GLU 54 -0.244 -0.262 11.818 385 2HG GLU 54 3HG GLU 54 -0.297 0.446 13.420 386 H THR 55 HN THR 55 -2.431 1.608 8.011 387 HA THR 55 HA THR 55 -5.267 1.433 8.700 388 HB THR 55 HB THR 55 -4.422 3.883 8.664 389 HG1 THR 55 1HG THR 55 -6.416 4.354 7.605 390 1HG2 THR 55 1HG2 THR 55 -3.563 2.974 6.003 391 2HG2 THR 55 2HG2 THR 55 -4.730 4.313 5.883 392 3HG2 THR 55 3HG2 THR 55 -3.229 4.521 6.817 393 H ALA 56 HN ALA 56 -3.230 -0.377 7.467 394 HA ALA 56 HA ALA 56 -3.328 -0.456 4.745 395 1HB ALA 56 1HB ALA 56 -2.556 -2.633 4.979 396 2HB ALA 56 2HB ALA 56 -2.224 -1.992 6.606 397 3HB ALA 56 3HB ALA 56 -3.666 -2.996 6.323 398 H CYS 57 HN CYS 57 -4.602 -2.374 3.520 399 HA CYS 57 HA CYS 57 -7.292 -1.522 3.542 400 1HB CYS 57 2HB CYS 57 -5.567 -2.985 1.793 401 2HB CYS 57 3HB CYS 57 -6.995 -3.963 2.067 402 HA PRO 58 HA PRO 58 -9.070 -4.666 5.997 403 1HB PRO 58 2HB PRO 58 -11.198 -5.653 4.596 404 2HB PRO 58 3HB PRO 58 -11.237 -4.120 5.444 405 1HG PRO 58 2HG PRO 58 -11.024 -4.627 2.539 406 2HG PRO 58 3HG PRO 58 -11.486 -3.152 3.366 407 1HD PRO 58 2HD PRO 58 -8.953 -3.711 2.139 408 2HD PRO 58 3HD PRO 58 -9.378 -2.284 3.065 409 H THR 59 HN THR 59 -9.629 -6.971 6.451 410 HA THR 59 HA THR 59 -7.539 -8.555 5.431 411 HB THR 59 HB THR 59 -10.110 -9.180 6.974 412 HG1 THR 59 1HG THR 59 -8.635 -7.891 8.164 413 1HG2 THR 59 1HG2 THR 59 -9.528 -11.386 6.881 414 2HG2 THR 59 2HG2 THR 59 -8.167 -10.993 5.803 415 3HG2 THR 59 3HG2 THR 59 -7.940 -10.969 7.569 416 H ASP 60 HN ASP 60 -10.478 -7.574 3.989 417 HA ASP 60 HA ASP 60 -11.426 -9.727 2.728 418 1HB ASP 60 2HB ASP 60 -11.364 -6.862 2.279 419 2HB ASP 60 3HB ASP 60 -11.192 -7.667 0.732 420 H PHE 61 HN PHE 61 -8.289 -8.156 2.339 421 HA PHE 61 HA PHE 61 -7.680 -10.016 0.154 422 1HB PHE 61 2HB PHE 61 -7.595 -7.080 0.345 423 2HB PHE 61 3HB PHE 61 -5.973 -7.691 0.090 424 HD1 PHE 61 1HD PHE 61 -5.976 -9.696 -1.787 425 HD2 PHE 61 2HD PHE 61 -8.705 -6.454 -1.564 426 HE1 PHE 61 1HE PHE 61 -6.447 -9.922 -4.242 427 HE2 PHE 61 2HE PHE 61 -9.176 -6.680 -4.019 428 HZ PHE 61 HZ PHE 61 -8.040 -8.411 -5.329 429 H LEU 62 HN LEU 62 -5.760 -7.604 2.058 430 HA LEU 62 HA LEU 62 -3.562 -9.252 2.338 431 1HB LEU 62 2HB LEU 62 -2.876 -7.682 4.101 432 2HB LEU 62 3HB LEU 62 -3.386 -6.902 2.618 433 HG LEU 62 HG LEU 62 -5.620 -7.141 4.450 434 1HD1 LEU 62 1HD1 LEU 62 -3.415 -5.400 5.534 435 2HD1 LEU 62 2HD1 LEU 62 -4.921 -5.938 6.317 436 3HD1 LEU 62 3HD1 LEU 62 -3.597 -7.095 6.048 437 1HD2 LEU 62 1HD2 LEU 62 -4.428 -5.238 2.610 438 2HD2 LEU 62 2HD2 LEU 62 -6.118 -5.418 3.138 439 3HD2 LEU 62 3HD2 LEU 62 -4.981 -4.450 4.107 440 H SER 63 HN SER 63 -3.284 -11.133 3.398 441 HA SER 63 HA SER 63 -3.991 -11.456 6.039 442 1HB SER 63 2HB SER 63 -6.324 -11.552 5.140 443 2HB SER 63 3HB SER 63 -5.870 -12.902 4.118 444 HG SER 63 HG SER 63 -5.096 -13.776 6.422 445 H ILE 64 HN ILE 64 -1.685 -11.836 4.486 446 HA ILE 64 HA ILE 64 -1.456 -14.765 4.514 447 HB ILE 64 HB ILE 64 -0.283 -12.781 2.569 448 1HG1 ILE 64 2HG1 ILE 64 -1.592 -15.142 1.487 449 2HG1 ILE 64 3HG1 ILE 64 -2.674 -14.243 2.532 450 1HG2 ILE 64 1HG2 ILE 64 0.325 -15.742 2.747 451 2HG2 ILE 64 2HG2 ILE 64 0.990 -14.566 1.588 452 3HG2 ILE 64 3HG2 ILE 64 1.408 -14.449 3.315 453 1HD1 ILE 64 1HD1 ILE 64 -2.678 -12.370 1.167 454 2HD1 ILE 64 2HD1 ILE 64 -1.008 -12.640 0.613 455 3HD1 ILE 64 3HD1 ILE 64 -2.339 -13.608 -0.067 456 H ARG 65 HN ARG 65 0.778 -11.912 4.260 457 HA ARG 65 HA ARG 65 2.409 -13.191 6.248 458 1HB ARG 65 2HB ARG 65 2.757 -10.959 4.253 459 2HB ARG 65 3HB ARG 65 3.771 -10.905 5.681 460 1HG ARG 65 2HG ARG 65 5.144 -12.272 4.450 461 2HG ARG 65 3HG ARG 65 4.077 -13.539 5.022 462 1HD ARG 65 2HD ARG 65 2.622 -12.906 2.890 463 2HD ARG 65 3HD ARG 65 4.107 -12.175 2.315 464 HE ARG 65 HE ARG 65 3.578 -15.042 2.630 465 1HH1 ARG 65 1HH1 ARG 65 6.773 -15.931 1.546 466 2HH1 ARG 65 2HH1 ARG 65 5.177 -16.502 1.899 467 1HH2 ARG 65 1HH2 ARG 65 7.288 -13.684 1.816 468 2HH2 ARG 65 2HH2 ARG 65 6.075 -12.578 2.370 469 H VAL 66 HN VAL 66 3.320 -11.818 8.095 470 HA VAL 66 HA VAL 66 1.411 -9.743 8.910 471 HB VAL 66 HB VAL 66 0.839 -11.799 10.052 472 1HG1 VAL 66 1HG1 VAL 66 2.331 -13.315 10.730 473 2HG1 VAL 66 2HG1 VAL 66 3.605 -12.302 10.009 474 3HG1 VAL 66 3HG1 VAL 66 3.183 -12.112 11.728 475 1HG2 VAL 66 1HG2 VAL 66 0.900 -11.006 12.324 476 2HG2 VAL 66 2HG2 VAL 66 2.305 -9.969 11.979 477 3HG2 VAL 66 3HG2 VAL 66 0.724 -9.598 11.249 478 H TYR 67 HN TYR 67 2.439 -7.841 9.213 479 HA TYR 67 HA TYR 67 5.315 -7.973 9.806 480 1HB TYR 67 2HB TYR 67 3.445 -6.369 8.096 481 2HB TYR 67 3HB TYR 67 4.568 -5.369 8.996 482 HD1 TYR 67 HD1 TYR 67 4.113 -6.635 5.896 483 HD2 TYR 67 HD2 TYR 67 7.091 -6.684 8.969 484 HE1 TYR 67 HE1 TYR 67 5.913 -7.078 4.156 485 HE2 TYR 67 HE2 TYR 67 8.880 -7.128 7.218 486 HH TYR 67 HH TYR 67 9.098 -7.998 5.051 487 H LEU 68 HN LEU 68 2.648 -5.537 10.218 488 HA LEU 68 HA LEU 68 3.644 -4.184 12.307 489 1HB LEU 68 2HB LEU 68 1.002 -4.723 11.204 490 2HB LEU 68 3HB LEU 68 0.945 -4.391 12.924 491 HG LEU 68 HG LEU 68 0.598 -2.342 11.746 492 1HD1 LEU 68 1HD1 LEU 68 2.120 -2.408 13.801 493 2HD1 LEU 68 2HD1 LEU 68 3.465 -2.157 12.663 494 3HD1 LEU 68 3HD1 LEU 68 2.167 -0.946 12.788 495 1HD2 LEU 68 1HD2 LEU 68 1.633 -3.061 9.604 496 2HD2 LEU 68 2HD2 LEU 68 2.093 -1.416 10.105 497 3HD2 LEU 68 3HD2 LEU 68 3.235 -2.765 10.319 498 H GLY 69 HN GLY 69 4.343 -4.643 14.321 499 1HA GLY 69 1HA GLY 69 4.580 -5.685 16.299 500 2HA GLY 69 2HA GLY 69 2.962 -6.328 16.104 501 H ALA 70 HN ALA 70 6.183 -6.777 14.459 502 HA ALA 70 HA ALA 70 6.132 -9.574 15.172 503 1HB ALA 70 1HB ALA 70 6.168 -8.723 12.251 504 2HB ALA 70 2HB ALA 70 6.222 -10.384 12.885 505 3HB ALA 70 3HB ALA 70 4.748 -9.405 13.082 506 H GLU 71 HN GLU 71 7.680 -7.196 12.890 507 HA GLU 71 HA GLU 71 10.153 -8.242 12.878 508 1HB GLU 71 2HB GLU 71 10.942 -5.839 12.509 509 2HB GLU 71 3HB GLU 71 9.659 -6.389 11.450 510 1HG GLU 71 2HG GLU 71 8.818 -5.086 14.025 511 2HG GLU 71 3HG GLU 71 9.536 -4.042 12.814 512 H THR 72 HN THR 72 8.581 -6.361 15.470 513 HA THR 72 HA THR 72 9.367 -5.595 17.441 514 HB THR 72 HB THR 72 10.204 -7.543 18.825 515 HG1 THR 72 1HG THR 72 10.392 -9.552 17.435 516 1HG2 THR 72 1HG2 THR 72 7.747 -7.463 17.293 517 2HG2 THR 72 2HG2 THR 72 8.338 -9.142 17.314 518 3HG2 THR 72 3HG2 THR 72 8.044 -8.284 18.844 519 H THR 73 HN THR 73 11.013 -4.649 15.365 520 HA THR 73 HA THR 73 13.740 -5.184 15.857 521 HB THR 73 HB THR 73 12.742 -4.214 13.748 522 HG1 THR 73 1HG THR 73 14.829 -3.488 13.692 523 1HG2 THR 73 1HG2 THR 73 12.247 -1.893 15.653 524 2HG2 THR 73 2HG2 THR 73 12.583 -1.588 13.932 525 3HG2 THR 73 3HG2 THR 73 11.162 -2.551 14.405 526 H ARG 74 HN ARG 74 11.405 -3.660 17.805 527 HA ARG 74 HA ARG 74 13.430 -1.968 19.000 528 1HB ARG 74 2HB ARG 74 11.561 -0.867 20.172 529 2HB ARG 74 3HB ARG 74 11.204 -0.948 18.459 530 1HG ARG 74 2HG ARG 74 10.277 -3.312 20.017 531 2HG ARG 74 3HG ARG 74 9.501 -1.806 20.462 532 1HD ARG 74 2HD ARG 74 9.415 -1.609 17.715 533 2HD ARG 74 3HD ARG 74 9.322 -3.349 17.909 534 HE ARG 74 HE ARG 74 7.469 -2.558 19.730 535 1HH1 ARG 74 1HH1 ARG 74 4.783 -1.407 17.822 536 2HH1 ARG 74 2HH1 ARG 74 5.276 -2.035 19.360 537 1HH2 ARG 74 1HH2 ARG 74 6.350 -1.098 16.138 538 2HH2 ARG 74 2HH2 ARG 74 8.013 -1.494 16.419 539 H SER 75 HN SER 75 11.864 -5.027 19.309 540 HA SER 75 HA SER 75 12.651 -5.128 22.117 541 1HB SER 75 2HB SER 75 10.120 -5.425 21.352 542 2HB SER 75 3HB SER 75 10.638 -7.045 20.930 543 HG SER 75 HG SER 75 10.029 -6.046 23.389 544 H MET 76 HN MET 76 13.653 -5.906 19.082 545 HA MET 76 HA MET 76 15.047 -8.237 20.082 546 1HB MET 76 2HB MET 76 12.928 -8.278 18.097 547 2HB MET 76 3HB MET 76 14.431 -8.648 17.274 548 1HG MET 76 2HG MET 76 14.415 -10.108 19.767 549 2HG MET 76 3HG MET 76 12.865 -10.365 18.989 550 1HE MET 76 1HE MET 76 13.982 -10.767 15.416 551 2HE MET 76 2HE MET 76 13.074 -12.117 16.140 552 3HE MET 76 3HE MET 76 12.678 -10.440 16.583 553 H GLY 77 HN GLY 77 14.634 -5.716 17.539 554 1HA GLY 77 1HA GLY 77 17.311 -6.085 16.519 555 2HA GLY 77 2HA GLY 77 16.134 -4.878 16.041 556 H LEU 78 HN LEU 78 17.476 -5.670 19.319 557 HA LEU 78 HA LEU 78 18.347 -2.870 19.466 558 1HB LEU 78 2HB LEU 78 17.945 -4.559 21.890 559 2HB LEU 78 3HB LEU 78 17.808 -2.823 21.694 560 HG LEU 78 HG LEU 78 15.811 -4.960 20.957 561 1HD1 LEU 78 1HD1 LEU 78 16.094 -3.602 23.260 562 2HD1 LEU 78 2HD1 LEU 78 15.054 -2.464 22.371 563 3HD1 LEU 78 3HD1 LEU 78 14.522 -4.143 22.624 564 1HD2 LEU 78 1HD2 LEU 78 14.946 -2.262 20.295 565 2HD2 LEU 78 2HD2 LEU 78 16.341 -2.778 19.317 566 3HD2 LEU 78 3HD2 LEU 78 14.858 -3.763 19.342 567 H ALA 79 HN ALA 79 19.172 -6.226 20.589 568 HA ALA 79 HA ALA 79 21.984 -5.481 20.208 569 1HB ALA 79 1HB ALA 79 21.982 -7.329 22.286 570 2HB ALA 79 2HB ALA 79 22.198 -5.570 22.454 571 3HB ALA 79 3HB ALA 79 20.584 -6.292 22.660 572 H TYR 80 HN TYR 80 19.475 -8.062 20.511 573 HA TYR 80 HA TYR 80 20.944 -10.239 19.776 574 1HB TYR 80 2HB TYR 80 18.147 -9.389 18.799 575 2HB TYR 80 3HB TYR 80 18.698 -11.044 18.970 576 HD1 TYR 80 HD1 TYR 80 17.381 -8.115 20.706 577 HD2 TYR 80 HD2 TYR 80 18.993 -12.044 21.227 578 HE1 TYR 80 HE1 TYR 80 16.487 -8.173 23.085 579 HE2 TYR 80 HE2 TYR 80 18.092 -12.089 23.605 580 HH TYR 80 HH TYR 80 16.478 -9.247 24.976 Start of MODEL 19 1 H SER 1 HN SER 1 -5.046 -3.971 9.752 2 HA SER 1 HA SER 1 -4.803 -2.857 12.383 3 1HB SER 1 2HB SER 1 -4.056 -5.189 12.981 4 2HB SER 1 3HB SER 1 -5.640 -5.123 12.234 5 HG SER 1 HG SER 1 -3.386 -6.438 11.384 6 H HIS 2 HN HIS 2 -2.584 -4.704 10.153 7 HA HIS 2 HA HIS 2 -0.537 -2.768 10.458 8 1HB HIS 2 2HB HIS 2 -0.575 -5.114 12.255 9 2HB HIS 2 3HB HIS 2 0.942 -4.858 11.418 10 HD1 HIS 2 HD1 HIS 2 1.003 -1.726 11.436 11 HD2 HIS 2 HD2 HIS 2 0.053 -4.125 14.745 12 HE1 HIS 2 HE1 HIS 2 1.476 -0.310 13.506 13 H SER 3 HN SER 3 1.690 -4.263 9.705 14 HA SER 3 HA SER 3 2.645 -5.154 7.974 15 1HB SER 3 2HB SER 3 1.805 -7.209 7.056 16 2HB SER 3 3HB SER 3 1.304 -7.177 8.735 17 HG SER 3 HG SER 3 -0.286 -6.704 6.380 18 H VAL 4 HN VAL 4 2.908 -4.801 5.687 19 HA VAL 4 HA VAL 4 0.610 -3.717 4.270 20 HB VAL 4 HB VAL 4 2.028 -1.802 3.497 21 1HG1 VAL 4 1HG1 VAL 4 0.346 -1.174 4.977 22 2HG1 VAL 4 2HG1 VAL 4 1.054 -2.084 6.334 23 3HG1 VAL 4 3HG1 VAL 4 1.809 -0.568 5.788 24 1HG2 VAL 4 1HG2 VAL 4 3.799 -2.717 5.786 25 2HG2 VAL 4 2HG2 VAL 4 4.235 -2.577 4.065 26 3HG2 VAL 4 3HG2 VAL 4 3.897 -1.113 5.021 27 H LYS 5 HN LYS 5 1.823 -6.275 4.066 28 HA LYS 5 HA LYS 5 3.904 -6.636 2.409 29 1HB LYS 5 2HB LYS 5 1.524 -8.108 3.159 30 2HB LYS 5 3HB LYS 5 1.940 -8.435 1.488 31 1HG LYS 5 2HG LYS 5 4.194 -8.408 3.484 32 2HG LYS 5 3HG LYS 5 3.083 -9.761 3.552 33 1HD LYS 5 2HD LYS 5 3.703 -9.311 0.778 34 2HD LYS 5 3HD LYS 5 5.219 -9.278 1.658 35 1HE LYS 5 2HE LYS 5 4.477 -11.461 2.802 36 2HE LYS 5 3HE LYS 5 3.141 -11.515 1.667 37 1HZ LYS 5 1HZ LYS 5 4.600 -12.549 0.380 38 2HZ LYS 5 2HZ LYS 5 5.246 -11.081 0.076 39 3HZ LYS 5 3HZ LYS 5 5.905 -12.041 1.220 40 H ILE 6 HN ILE 6 4.066 -7.062 0.041 41 HA ILE 6 HA ILE 6 2.764 -4.904 -1.363 42 HB ILE 6 HB ILE 6 4.722 -6.897 -2.481 43 1HG1 ILE 6 2HG1 ILE 6 5.713 -6.109 -0.423 44 2HG1 ILE 6 3HG1 ILE 6 6.531 -5.378 -1.789 45 1HG2 ILE 6 1HG2 ILE 6 4.870 -4.078 -3.274 46 2HG2 ILE 6 2HG2 ILE 6 4.848 -5.557 -4.265 47 3HG2 ILE 6 3HG2 ILE 6 3.320 -4.858 -3.676 48 1HD1 ILE 6 1HD1 ILE 6 5.384 -3.272 -1.476 49 2HD1 ILE 6 2HD1 ILE 6 4.257 -3.993 -0.304 50 3HD1 ILE 6 3HD1 ILE 6 5.972 -3.784 0.124 51 H TYR 7 HN TYR 7 0.588 -5.448 -1.598 52 HA TYR 7 HA TYR 7 0.133 -7.798 -3.306 53 1HB TYR 7 2HB TYR 7 -1.189 -6.713 -0.774 54 2HB TYR 7 3HB TYR 7 -2.191 -7.578 -1.923 55 HD1 TYR 7 HD1 TYR 7 1.181 -8.051 -0.321 56 HD2 TYR 7 HD2 TYR 7 -2.556 -9.809 -1.439 57 HE1 TYR 7 HE1 TYR 7 1.907 -10.263 0.700 58 HE2 TYR 7 HE2 TYR 7 -1.817 -12.016 -0.414 59 HH TYR 7 HH TYR 7 -0.246 -13.092 0.593 60 H ASP 8 HN ASP 8 -1.959 -7.641 -4.559 61 HA ASP 8 HA ASP 8 -2.140 -4.958 -5.567 62 1HB ASP 8 2HB ASP 8 -3.791 -6.210 -7.199 63 2HB ASP 8 3HB ASP 8 -2.066 -6.476 -7.346 64 H THR 9 HN THR 9 -3.216 -5.541 -2.870 65 HA THR 9 HA THR 9 -6.099 -5.679 -3.233 66 HB THR 9 HB THR 9 -4.940 -6.979 -1.429 67 HG1 THR 9 1HG THR 9 -6.440 -4.637 -0.492 68 1HG2 THR 9 1HG2 THR 9 -3.493 -4.553 -1.032 69 2HG2 THR 9 2HG2 THR 9 -4.573 -4.708 0.374 70 3HG2 THR 9 3HG2 THR 9 -3.427 -6.012 -0.014 71 H CYS 10 HN CYS 10 -6.819 -3.823 -4.207 72 HA CYS 10 HA CYS 10 -6.769 -1.513 -2.503 73 1HB CYS 10 2HB CYS 10 -4.677 -1.417 -4.035 74 2HB CYS 10 3HB CYS 10 -5.806 -1.087 -5.333 75 H ILE 11 HN ILE 11 -8.742 -0.430 -2.724 76 HA ILE 11 HA ILE 11 -10.428 -1.351 -4.947 77 HB ILE 11 HB ILE 11 -12.331 -0.967 -3.493 78 1HG1 ILE 11 2HG1 ILE 11 -11.535 -0.739 -0.928 79 2HG1 ILE 11 3HG1 ILE 11 -10.262 0.192 -1.693 80 1HG2 ILE 11 1HG2 ILE 11 -10.383 -3.012 -3.228 81 2HG2 ILE 11 2HG2 ILE 11 -10.996 -2.647 -1.597 82 3HG2 ILE 11 3HG2 ILE 11 -12.131 -3.091 -2.895 83 1HD1 ILE 11 1HD1 ILE 11 -11.763 1.784 -2.581 84 2HD1 ILE 11 2HD1 ILE 11 -13.152 0.676 -2.467 85 3HD1 ILE 11 3HD1 ILE 11 -12.477 1.412 -0.993 86 H GLY 12 HN GLY 12 -8.871 1.337 -3.333 87 1HA GLY 12 1HA GLY 12 -8.580 3.293 -4.746 88 2HA GLY 12 2HA GLY 12 -10.277 3.184 -5.169 89 H CYS 13 HN CYS 13 -8.606 2.837 -1.963 90 HA CYS 13 HA CYS 13 -10.401 4.930 -0.986 91 1HB CYS 13 2HB CYS 13 -10.664 3.784 0.937 92 2HB CYS 13 3HB CYS 13 -10.135 2.408 -0.012 93 H THR 14 HN THR 14 -9.408 6.450 0.653 94 HA THR 14 HA THR 14 -6.654 7.052 -0.137 95 HB THR 14 HB THR 14 -8.303 8.845 -0.455 96 HG1 THR 14 1HG THR 14 -7.256 10.335 1.136 97 1HG2 THR 14 1HG2 THR 14 -9.228 9.820 1.827 98 2HG2 THR 14 2HG2 THR 14 -10.107 8.480 1.052 99 3HG2 THR 14 3HG2 THR 14 -9.014 8.156 2.420 100 H GLN 15 HN GLN 15 -6.490 4.852 1.322 101 HA GLN 15 HA GLN 15 -5.566 5.920 3.861 102 1HB GLN 15 2HB GLN 15 -6.850 4.542 5.130 103 2HB GLN 15 3HB GLN 15 -7.845 4.364 3.698 104 1HG GLN 15 2HG GLN 15 -6.149 2.455 3.038 105 2HG GLN 15 3HG GLN 15 -5.678 2.502 4.725 106 1HE2 GLN 15 1HE2 GLN 15 -6.651 0.216 3.872 107 2HE2 GLN 15 2HE2 GLN 15 -8.263 -0.090 4.429 108 H CYS 16 HN CYS 16 -3.684 4.846 4.727 109 HA CYS 16 HA CYS 16 -1.943 3.457 4.729 110 1HB CYS 16 2HB CYS 16 -1.939 1.459 3.665 111 2HB CYS 16 3HB CYS 16 -3.618 1.854 3.357 112 H VAL 17 HN VAL 17 -2.938 4.668 1.452 113 HA VAL 17 HA VAL 17 -0.177 5.409 0.915 114 HB VAL 17 HB VAL 17 -2.690 5.473 -0.766 115 1HG1 VAL 17 1HG1 VAL 17 -0.074 6.704 -1.160 116 2HG1 VAL 17 2HG1 VAL 17 -0.477 5.557 -2.461 117 3HG1 VAL 17 3HG1 VAL 17 -1.582 6.901 -2.087 118 1HG2 VAL 17 1HG2 VAL 17 -0.876 3.704 -1.903 119 2HG2 VAL 17 2HG2 VAL 17 -0.721 3.399 -0.156 120 3HG2 VAL 17 3HG2 VAL 17 -2.312 3.272 -0.945 121 H ARG 18 HN ARG 18 -1.925 6.694 3.050 122 HA ARG 18 HA ARG 18 -1.616 9.385 1.999 123 1HB ARG 18 2HB ARG 18 -4.071 8.100 2.930 124 2HB ARG 18 3HB ARG 18 -3.695 9.467 3.958 125 1HG ARG 18 2HG ARG 18 -5.055 10.286 2.121 126 2HG ARG 18 3HG ARG 18 -3.429 10.899 1.887 127 1HD ARG 18 2HD ARG 18 -3.403 8.410 0.560 128 2HD ARG 18 3HD ARG 18 -4.988 9.060 0.193 129 HE ARG 18 HE ARG 18 -2.791 10.992 -0.122 130 1HH1 ARG 18 1HH1 ARG 18 -3.103 11.000 -3.597 131 2HH1 ARG 18 2HH1 ARG 18 -2.389 11.783 -2.228 132 1HH2 ARG 18 1HH2 ARG 18 -4.469 9.148 -3.294 133 2HH2 ARG 18 2HH2 ARG 18 -4.773 8.549 -1.696 134 H ALA 19 HN ALA 19 -2.362 7.507 5.038 135 HA ALA 19 HA ALA 19 -1.404 9.297 6.861 136 1HB ALA 19 1HB ALA 19 -1.010 6.296 7.072 137 2HB ALA 19 2HB ALA 19 -1.360 7.461 8.372 138 3HB ALA 19 3HB ALA 19 -2.617 7.055 7.179 139 H CYS 20 HN CYS 20 0.430 6.667 5.157 140 HA CYS 20 HA CYS 20 2.835 6.904 6.288 141 1HB CYS 20 2HB CYS 20 2.297 5.332 4.469 142 2HB CYS 20 3HB CYS 20 2.316 6.643 3.307 143 HA PRO 21 HA PRO 21 3.681 11.169 5.508 144 1HB PRO 21 2HB PRO 21 5.809 11.404 7.206 145 2HB PRO 21 3HB PRO 21 4.146 11.605 7.721 146 1HG PRO 21 2HG PRO 21 5.964 9.321 8.181 147 2HG PRO 21 3HG PRO 21 4.483 9.732 9.022 148 1HD PRO 21 2HD PRO 21 4.823 7.684 7.042 149 2HD PRO 21 3HD PRO 21 3.319 8.172 7.798 150 H LEU 22 HN LEU 22 6.534 9.113 5.917 151 HA LEU 22 HA LEU 22 8.230 10.475 4.317 152 1HB LEU 22 2HB LEU 22 7.902 7.490 4.633 153 2HB LEU 22 3HB LEU 22 9.275 8.247 3.852 154 HG LEU 22 HG LEU 22 9.267 9.577 6.233 155 1HD1 LEU 22 1HD1 LEU 22 8.945 6.928 7.399 156 2HD1 LEU 22 2HD1 LEU 22 8.290 8.500 7.918 157 3HD1 LEU 22 3HD1 LEU 22 7.434 7.541 6.687 158 1HD2 LEU 22 1HD2 LEU 22 10.811 7.250 6.670 159 2HD2 LEU 22 2HD2 LEU 22 10.831 7.561 4.917 160 3HD2 LEU 22 3HD2 LEU 22 11.346 8.831 6.053 161 H ASP 23 HN ASP 23 5.379 8.602 3.367 162 HA ASP 23 HA ASP 23 4.277 8.643 1.477 163 1HB ASP 23 2HB ASP 23 5.819 10.886 1.118 164 2HB ASP 23 3HB ASP 23 6.416 9.899 -0.201 165 H VAL 24 HN VAL 24 5.761 6.419 2.215 166 HA VAL 24 HA VAL 24 7.542 5.624 0.114 167 HB VAL 24 HB VAL 24 6.360 4.230 2.519 168 1HG1 VAL 24 1HG1 VAL 24 6.906 2.704 0.534 169 2HG1 VAL 24 2HG1 VAL 24 8.608 3.145 0.810 170 3HG1 VAL 24 3HG1 VAL 24 7.683 2.322 2.090 171 1HG2 VAL 24 1HG2 VAL 24 8.629 5.980 2.098 172 2HG2 VAL 24 2HG2 VAL 24 7.971 5.320 3.614 173 3HG2 VAL 24 3HG2 VAL 24 9.166 4.386 2.681 174 H LEU 25 HN LEU 25 4.194 4.797 1.216 175 HA LEU 25 HA LEU 25 3.763 2.886 -0.796 176 1HB LEU 25 2HB LEU 25 1.939 4.506 0.971 177 2HB LEU 25 3HB LEU 25 1.326 3.358 -0.203 178 HG LEU 25 HG LEU 25 3.173 1.834 1.151 179 1HD1 LEU 25 1HD1 LEU 25 1.791 3.515 3.255 180 2HD1 LEU 25 2HD1 LEU 25 2.965 2.200 3.501 181 3HD1 LEU 25 3HD1 LEU 25 3.486 3.733 2.758 182 1HD2 LEU 25 1HD2 LEU 25 1.309 0.628 0.974 183 2HD2 LEU 25 2HD2 LEU 25 0.811 1.365 2.516 184 3HD2 LEU 25 3HD2 LEU 25 0.271 2.074 0.974 185 H GLU 26 HN GLU 26 4.042 3.369 -2.920 186 HA GLU 26 HA GLU 26 2.705 5.801 -3.823 187 1HB GLU 26 2HB GLU 26 5.215 4.518 -4.989 188 2HB GLU 26 3HB GLU 26 4.422 5.947 -5.621 189 1HG GLU 26 2HG GLU 26 5.394 5.806 -2.738 190 2HG GLU 26 3HG GLU 26 6.454 6.306 -4.041 191 H MET 27 HN MET 27 2.961 5.295 -6.630 192 HA MET 27 HA MET 27 0.957 3.246 -6.843 193 1HB MET 27 2HB MET 27 0.697 4.154 -9.151 194 2HB MET 27 3HB MET 27 0.702 5.466 -7.989 195 1HG MET 27 2HG MET 27 2.419 6.412 -9.134 196 2HG MET 27 3HG MET 27 3.437 5.070 -8.649 197 1HE MET 27 1HE MET 27 2.857 7.119 -10.985 198 2HE MET 27 2HE MET 27 3.425 6.293 -12.456 199 3HE MET 27 3HE MET 27 1.681 6.524 -12.182 200 H VAL 28 HN VAL 28 1.189 1.262 -7.888 201 HA VAL 28 HA VAL 28 3.822 0.758 -9.085 202 HB VAL 28 HB VAL 28 4.095 -1.198 -7.930 203 1HG1 VAL 28 1HG1 VAL 28 4.263 -0.490 -5.798 204 2HG1 VAL 28 2HG1 VAL 28 3.605 1.039 -6.428 205 3HG1 VAL 28 3HG1 VAL 28 2.521 -0.150 -5.666 206 1HG2 VAL 28 1HG2 VAL 28 1.774 -1.875 -6.526 207 2HG2 VAL 28 2HG2 VAL 28 1.197 -1.378 -8.135 208 3HG2 VAL 28 3HG2 VAL 28 2.413 -2.670 -7.986 209 HA PRO 29 HA PRO 29 1.615 -1.027 -12.347 210 1HB PRO 29 2HB PRO 29 3.076 -3.217 -13.081 211 2HB PRO 29 3HB PRO 29 3.521 -1.578 -13.514 212 1HG PRO 29 2HG PRO 29 4.718 -3.345 -11.468 213 2HG PRO 29 3HG PRO 29 5.391 -1.905 -12.204 214 1HD PRO 29 2HD PRO 29 4.254 -2.119 -9.580 215 2HD PRO 29 3HD PRO 29 4.822 -0.656 -10.360 216 H TRP 30 HN TRP 30 -0.405 -1.756 -12.250 217 HA TRP 30 HA TRP 30 -0.660 -4.416 -11.028 218 1HB TRP 30 2HB TRP 30 -1.441 -2.828 -9.410 219 2HB TRP 30 3HB TRP 30 -2.414 -1.995 -10.606 220 HD1 TRP 30 HD1 TRP 30 -4.896 -2.520 -9.979 221 HE1 TRP 30 HE1 TRP 30 -6.383 -4.617 -9.380 222 HE3 TRP 30 HE3 TRP 30 -1.071 -5.870 -9.916 223 HZ2 TRP 30 HZ2 TRP 30 -5.804 -7.378 -8.955 224 HZ3 TRP 30 HZ3 TRP 30 -1.618 -8.246 -9.399 225 HH2 TRP 30 HH2 TRP 30 -3.890 -9.019 -8.930 226 H ASP 31 HN ASP 31 -3.624 -3.002 -11.947 227 HA ASP 31 HA ASP 31 -3.682 -3.029 -14.626 228 1HB ASP 31 2HB ASP 31 -3.046 -5.630 -13.824 229 2HB ASP 31 3HB ASP 31 -4.783 -5.721 -14.044 230 H GLY 32 HN GLY 32 -5.323 -4.799 -11.891 231 1HA GLY 32 1HA GLY 32 -7.955 -4.460 -12.669 232 2HA GLY 32 2HA GLY 32 -7.388 -4.635 -11.020 233 H CYS 33 HN CYS 33 -5.632 -2.051 -11.700 234 HA CYS 33 HA CYS 33 -7.556 -0.264 -10.577 235 1HB CYS 33 2HB CYS 33 -4.657 -0.374 -10.870 236 2HB CYS 33 3HB CYS 33 -5.278 1.216 -11.264 237 HG CYS 33 HG CYS 33 -4.757 -0.128 -8.526 238 H LYS 34 HN LYS 34 -8.107 1.857 -11.601 239 HA LYS 34 HA LYS 34 -8.988 1.546 -14.217 240 1HB LYS 34 2HB LYS 34 -9.073 3.552 -12.127 241 2HB LYS 34 3HB LYS 34 -8.816 4.307 -13.686 242 1HG LYS 34 2HG LYS 34 -11.160 4.155 -13.614 243 2HG LYS 34 3HG LYS 34 -10.741 2.717 -14.525 244 1HD LYS 34 2HD LYS 34 -10.868 2.466 -11.525 245 2HD LYS 34 3HD LYS 34 -12.387 2.631 -12.385 246 1HE LYS 34 2HE LYS 34 -11.519 0.727 -13.939 247 2HE LYS 34 3HE LYS 34 -10.279 0.459 -12.730 248 1HZ LYS 34 1HZ LYS 34 -12.376 0.499 -11.183 249 2HZ LYS 34 2HZ LYS 34 -13.125 0.006 -12.548 250 3HZ LYS 34 3HZ LYS 34 -11.890 -0.868 -11.934 251 H ALA 35 HN ALA 35 -5.883 2.547 -12.884 252 HA ALA 35 HA ALA 35 -5.030 3.271 -15.603 253 1HB ALA 35 1HB ALA 35 -4.705 5.185 -14.284 254 2HB ALA 35 2HB ALA 35 -4.236 4.239 -12.852 255 3HB ALA 35 3HB ALA 35 -3.114 4.390 -14.226 256 H GLY 36 HN GLY 36 -5.320 0.588 -13.981 257 1HA GLY 36 1HA GLY 36 -4.179 -1.339 -13.802 258 2HA GLY 36 2HA GLY 36 -3.193 -0.766 -15.132 259 H GLN 37 HN GLN 37 -3.517 0.786 -11.893 260 HA GLN 37 HA GLN 37 -0.899 -0.207 -11.198 261 1HB GLN 37 2HB GLN 37 -0.163 2.152 -10.582 262 2HB GLN 37 3HB GLN 37 -0.260 1.825 -12.301 263 1HG GLN 37 2HG GLN 37 -1.688 3.568 -12.530 264 2HG GLN 37 3HG GLN 37 -2.861 2.715 -11.544 265 1HE2 GLN 37 1HE2 GLN 37 -3.194 3.262 -9.454 266 2HE2 GLN 37 2HE2 GLN 37 -2.473 4.622 -8.660 267 H ILE 38 HN ILE 38 -0.944 -0.871 -9.092 268 HA ILE 38 HA ILE 38 -3.125 0.169 -7.443 269 HB ILE 38 HB ILE 38 -2.691 -2.342 -8.005 270 1HG1 ILE 38 2HG1 ILE 38 -3.193 -2.435 -5.206 271 2HG1 ILE 38 3HG1 ILE 38 -3.877 -0.934 -5.798 272 1HG2 ILE 38 1HG2 ILE 38 -1.132 -2.479 -5.501 273 2HG2 ILE 38 2HG2 ILE 38 -1.027 -3.457 -6.984 274 3HG2 ILE 38 3HG2 ILE 38 -0.251 -1.858 -6.916 275 1HD1 ILE 38 1HD1 ILE 38 -4.337 -3.525 -7.312 276 2HD1 ILE 38 2HD1 ILE 38 -5.345 -3.093 -5.909 277 3HD1 ILE 38 3HD1 ILE 38 -5.307 -2.031 -7.338 278 H ALA 39 HN ALA 39 -2.750 1.215 -5.498 279 HA ALA 39 HA ALA 39 -0.194 2.413 -5.218 280 1HB ALA 39 1HB ALA 39 -2.091 2.517 -2.941 281 2HB ALA 39 2HB ALA 39 -1.315 3.838 -3.847 282 3HB ALA 39 3HB ALA 39 -2.765 3.041 -4.503 283 H SER 40 HN SER 40 1.567 1.335 -4.482 284 HA SER 40 HA SER 40 1.401 0.062 -1.963 285 1HB SER 40 2HB SER 40 1.826 -1.620 -4.463 286 2HB SER 40 3HB SER 40 2.385 -2.145 -2.887 287 HG SER 40 HG SER 40 0.065 -2.704 -3.781 288 H SER 41 HN SER 41 3.719 -0.969 -1.462 289 HA SER 41 HA SER 41 5.551 1.054 -1.827 290 1HB SER 41 2HB SER 41 6.374 -0.128 -0.084 291 2HB SER 41 3HB SER 41 5.423 -1.536 -0.516 292 HG SER 41 HG SER 41 7.077 -2.297 -1.843 293 HA PRO 42 HA PRO 42 7.020 0.014 -5.818 294 1HB PRO 42 2HB PRO 42 8.961 1.925 -6.035 295 2HB PRO 42 3HB PRO 42 7.272 2.231 -6.387 296 1HG PRO 42 2HG PRO 42 8.851 3.049 -4.026 297 2HG PRO 42 3HG PRO 42 7.322 3.685 -4.598 298 1HD PRO 42 2HD PRO 42 7.719 1.900 -2.388 299 2HD PRO 42 3HD PRO 42 6.183 2.444 -3.033 300 H ARG 43 HN ARG 43 9.542 0.770 -3.458 301 HA ARG 43 HA ARG 43 10.618 -1.829 -3.955 302 1HB ARG 43 2HB ARG 43 12.255 0.695 -4.520 303 2HB ARG 43 3HB ARG 43 12.931 -0.920 -4.441 304 1HG ARG 43 2HG ARG 43 11.425 -1.636 -6.315 305 2HG ARG 43 3HG ARG 43 10.765 -0.015 -6.398 306 1HD ARG 43 2HD ARG 43 13.063 0.880 -6.900 307 2HD ARG 43 3HD ARG 43 13.698 -0.752 -6.851 308 HE ARG 43 HE ARG 43 11.503 -0.718 -8.677 309 1HH1 ARG 43 1HH1 ARG 43 13.364 -0.087 -11.560 310 2HH1 ARG 43 2HH1 ARG 43 11.851 -0.653 -10.935 311 1HH2 ARG 43 1HH2 ARG 43 15.036 0.603 -10.106 312 2HH2 ARG 43 2HH2 ARG 43 14.771 0.554 -8.395 313 H THR 44 HN THR 44 9.426 0.027 -1.785 314 HA THR 44 HA THR 44 9.861 0.735 0.305 315 HB THR 44 HB THR 44 11.363 -1.935 0.340 316 HG1 THR 44 1HG THR 44 8.556 -1.090 0.503 317 1HG2 THR 44 1HG2 THR 44 11.461 -0.770 2.521 318 2HG2 THR 44 2HG2 THR 44 9.720 -0.410 2.429 319 3HG2 THR 44 3HG2 THR 44 10.271 -2.091 2.616 320 H GLU 45 HN GLU 45 11.896 1.512 -1.819 321 HA GLU 45 HA GLU 45 14.427 1.401 -0.817 322 1HB GLU 45 2HB GLU 45 14.871 3.402 -2.216 323 2HB GLU 45 3HB GLU 45 13.899 2.220 -3.070 324 1HG GLU 45 2HG GLU 45 11.891 3.494 -2.804 325 2HG GLU 45 3HG GLU 45 12.572 4.470 -1.518 326 H ASP 46 HN ASP 46 11.660 3.380 0.189 327 HA ASP 46 HA ASP 46 13.414 4.923 1.904 328 1HB ASP 46 2HB ASP 46 10.925 5.426 0.510 329 2HB ASP 46 3HB ASP 46 10.640 5.635 2.226 330 H CYS 47 HN CYS 47 11.475 5.520 3.961 331 HA CYS 47 HA CYS 47 10.441 4.723 5.743 332 1HB CYS 47 2HB CYS 47 9.201 3.170 4.240 333 2HB CYS 47 3HB CYS 47 10.466 1.976 4.450 334 H VAL 48 HN VAL 48 11.563 4.541 7.661 335 HA VAL 48 HA VAL 48 13.878 2.732 7.668 336 HB VAL 48 HB VAL 48 14.666 4.995 7.443 337 1HG1 VAL 48 1HG1 VAL 48 14.133 6.501 9.587 338 2HG1 VAL 48 2HG1 VAL 48 13.104 6.514 8.133 339 3HG1 VAL 48 3HG1 VAL 48 12.628 5.552 9.552 340 1HG2 VAL 48 1HG2 VAL 48 15.610 3.253 9.216 341 2HG2 VAL 48 2HG2 VAL 48 16.280 4.895 9.071 342 3HG2 VAL 48 3HG2 VAL 48 15.115 4.522 10.363 343 H GLY 49 HN GLY 49 11.145 2.111 8.421 344 1HA GLY 49 1HA GLY 49 10.258 0.870 10.107 345 2HA GLY 49 2HA GLY 49 11.650 1.219 11.111 346 H CYS 50 HN CYS 50 8.518 2.498 9.911 347 HA CYS 50 HA CYS 50 8.427 4.140 12.325 348 1HB CYS 50 2HB CYS 50 8.389 6.046 11.174 349 2HB CYS 50 3HB CYS 50 8.609 5.166 9.674 350 H LYS 51 HN LYS 51 6.130 4.583 12.996 351 HA LYS 51 HA LYS 51 4.361 2.465 11.990 352 1HB LYS 51 2HB LYS 51 4.707 3.640 14.753 353 2HB LYS 51 3HB LYS 51 3.283 2.728 14.299 354 1HG LYS 51 2HG LYS 51 5.044 0.937 13.429 355 2HG LYS 51 3HG LYS 51 6.153 1.779 14.492 356 1HD LYS 51 2HD LYS 51 4.204 1.521 16.281 357 2HD LYS 51 3HD LYS 51 3.635 0.255 15.211 358 1HE LYS 51 2HE LYS 51 5.212 -1.181 15.985 359 2HE LYS 51 3HE LYS 51 6.495 -0.063 15.565 360 1HZ LYS 51 1HZ LYS 51 4.944 0.543 17.929 361 2HZ LYS 51 2HZ LYS 51 5.982 -0.714 18.026 362 3HZ LYS 51 3HZ LYS 51 6.535 0.774 17.642 363 H ARG 52 HN ARG 52 3.394 3.639 10.304 364 HA ARG 52 HA ARG 52 1.346 5.354 11.178 365 1HB ARG 52 2HB ARG 52 3.859 6.555 10.211 366 2HB ARG 52 3HB ARG 52 2.498 7.041 9.219 367 1HG ARG 52 2HG ARG 52 2.565 7.239 12.267 368 2HG ARG 52 3HG ARG 52 2.905 8.572 11.183 369 1HD ARG 52 2HD ARG 52 0.542 7.999 10.135 370 2HD ARG 52 3HD ARG 52 0.268 7.137 11.636 371 HE ARG 52 HE ARG 52 1.296 9.834 12.079 372 1HH1 ARG 52 1HH1 ARG 52 -1.808 11.090 13.062 373 2HH1 ARG 52 2HH1 ARG 52 -0.102 11.381 13.016 374 1HH2 ARG 52 1HH2 ARG 52 -2.676 9.129 12.174 375 2HH2 ARG 52 2HH2 ARG 52 -1.616 7.957 11.465 376 H CYS 53 HN CYS 53 1.032 2.985 9.946 377 HA CYS 53 HA CYS 53 -0.208 3.680 7.513 378 1HB CYS 53 2HB CYS 53 1.073 2.307 5.963 379 2HB CYS 53 3HB CYS 53 2.084 3.572 6.632 380 H GLU 54 HN GLU 54 -1.006 2.622 10.036 381 HA GLU 54 HA GLU 54 -1.155 -0.224 9.718 382 1HB GLU 54 2HB GLU 54 -2.255 -0.196 11.910 383 2HB GLU 54 3HB GLU 54 -0.810 0.796 11.959 384 1HG GLU 54 2HG GLU 54 -2.571 2.724 11.246 385 2HG GLU 54 3HG GLU 54 -3.699 1.639 12.032 386 H THR 55 HN THR 55 -2.297 0.478 7.487 387 HA THR 55 HA THR 55 -5.023 -0.260 7.790 388 HB THR 55 HB THR 55 -5.146 2.170 8.434 389 HG1 THR 55 1HG THR 55 -6.942 1.296 7.284 390 1HG2 THR 55 1HG2 THR 55 -4.959 3.659 6.216 391 2HG2 THR 55 2HG2 THR 55 -3.526 3.399 7.240 392 3HG2 THR 55 3HG2 THR 55 -3.748 2.436 5.760 393 H ALA 56 HN ALA 56 -2.951 -1.548 6.544 394 HA ALA 56 HA ALA 56 -2.510 -0.866 3.895 395 1HB ALA 56 1HB ALA 56 -1.423 -2.889 3.807 396 2HB ALA 56 2HB ALA 56 -1.573 -2.747 5.575 397 3HB ALA 56 3HB ALA 56 -2.726 -3.749 4.661 398 H CYS 57 HN CYS 57 -4.650 -3.595 4.975 399 HA CYS 57 HA CYS 57 -6.965 -2.727 3.824 400 1HB CYS 57 2HB CYS 57 -5.097 -3.379 1.770 401 2HB CYS 57 3HB CYS 57 -6.314 -4.641 1.783 402 HA PRO 58 HA PRO 58 -6.863 -6.641 6.132 403 1HB PRO 58 2HB PRO 58 -8.466 -5.878 8.211 404 2HB PRO 58 3HB PRO 58 -6.717 -5.787 8.266 405 1HG PRO 58 2HG PRO 58 -8.677 -3.599 7.932 406 2HG PRO 58 3HG PRO 58 -6.993 -3.502 8.410 407 1HD PRO 58 2HD PRO 58 -8.085 -2.869 5.834 408 2HD PRO 58 3HD PRO 58 -6.390 -2.883 6.280 409 H THR 59 HN THR 59 -8.230 -8.382 6.000 410 HA THR 59 HA THR 59 -10.087 -9.477 5.440 411 HB THR 59 HB THR 59 -11.568 -6.810 5.679 412 HG1 THR 59 1HG THR 59 -11.709 -7.643 7.967 413 1HG2 THR 59 1HG2 THR 59 -12.582 -9.269 4.984 414 2HG2 THR 59 2HG2 THR 59 -12.617 -9.400 6.759 415 3HG2 THR 59 3HG2 THR 59 -13.490 -8.079 5.946 416 H ASP 60 HN ASP 60 -10.145 -6.209 3.868 417 HA ASP 60 HA ASP 60 -11.433 -6.619 1.667 418 1HB ASP 60 2HB ASP 60 -9.026 -5.111 2.362 419 2HB ASP 60 3HB ASP 60 -8.960 -5.599 0.680 420 H PHE 61 HN PHE 61 -8.104 -7.886 2.327 421 HA PHE 61 HA PHE 61 -8.558 -10.071 0.535 422 1HB PHE 61 2HB PHE 61 -6.792 -7.675 -0.048 423 2HB PHE 61 3HB PHE 61 -6.137 -9.243 -0.475 424 HD1 PHE 61 1HD PHE 61 -7.140 -10.569 -2.255 425 HD2 PHE 61 2HD PHE 61 -8.707 -6.760 -1.234 426 HE1 PHE 61 1HE PHE 61 -8.433 -10.524 -4.405 427 HE2 PHE 61 2HE PHE 61 -9.999 -6.715 -3.385 428 HZ PHE 61 HZ PHE 61 -9.847 -8.597 -4.946 429 H LEU 62 HN LEU 62 -5.461 -8.468 1.477 430 HA LEU 62 HA LEU 62 -4.425 -10.860 2.521 431 1HB LEU 62 2HB LEU 62 -2.493 -9.694 2.831 432 2HB LEU 62 3HB LEU 62 -3.262 -8.765 1.560 433 HG LEU 62 HG LEU 62 -3.791 -7.882 4.353 434 1HD1 LEU 62 1HD1 LEU 62 -1.279 -8.541 4.080 435 2HD1 LEU 62 2HD1 LEU 62 -1.186 -7.045 3.119 436 3HD1 LEU 62 3HD1 LEU 62 -1.718 -6.980 4.816 437 1HD2 LEU 62 1HD2 LEU 62 -4.219 -5.876 3.403 438 2HD2 LEU 62 2HD2 LEU 62 -2.903 -6.026 2.215 439 3HD2 LEU 62 3HD2 LEU 62 -4.445 -6.874 1.947 440 H SER 63 HN SER 63 -4.311 -11.688 4.594 441 HA SER 63 HA SER 63 -6.063 -10.350 6.473 442 1HB SER 63 2HB SER 63 -5.224 -13.171 5.971 443 2HB SER 63 3HB SER 63 -5.449 -12.746 7.657 444 HG SER 63 HG SER 63 -7.544 -11.692 6.335 445 H ILE 64 HN ILE 64 -3.405 -9.262 5.949 446 HA ILE 64 HA ILE 64 -1.686 -8.444 7.067 447 HB ILE 64 HB ILE 64 -3.246 -9.491 9.419 448 1HG1 ILE 64 2HG1 ILE 64 -2.935 -6.661 9.380 449 2HG1 ILE 64 3HG1 ILE 64 -3.405 -7.152 7.764 450 1HG2 ILE 64 1HG2 ILE 64 -0.593 -8.056 9.375 451 2HG2 ILE 64 2HG2 ILE 64 -1.702 -7.965 10.764 452 3HG2 ILE 64 3HG2 ILE 64 -1.051 -9.538 10.247 453 1HD1 ILE 64 1HD1 ILE 64 -5.335 -6.693 9.374 454 2HD1 ILE 64 2HD1 ILE 64 -5.382 -8.281 8.573 455 3HD1 ILE 64 3HD1 ILE 64 -4.836 -8.154 10.262 456 H ARG 65 HN ARG 65 0.115 -9.467 6.337 457 HA ARG 65 HA ARG 65 0.529 -12.182 7.204 458 1HB ARG 65 2HB ARG 65 0.999 -10.880 4.794 459 2HB ARG 65 3HB ARG 65 2.602 -10.882 5.501 460 1HG ARG 65 2HG ARG 65 1.141 -13.471 5.740 461 2HG ARG 65 3HG ARG 65 1.509 -12.993 4.094 462 1HD ARG 65 2HD ARG 65 3.933 -12.503 5.047 463 2HD ARG 65 3HD ARG 65 3.436 -13.529 6.377 464 HE ARG 65 HE ARG 65 3.989 -14.380 3.628 465 1HH1 ARG 65 1HH1 ARG 65 3.193 -17.710 4.303 466 2HH1 ARG 65 2HH1 ARG 65 3.925 -16.618 3.174 467 1HH2 ARG 65 1HH2 ARG 65 2.278 -16.898 6.275 468 2HH2 ARG 65 2HH2 ARG 65 2.327 -15.201 6.619 469 H VAL 66 HN VAL 66 0.976 -9.332 8.659 470 HA VAL 66 HA VAL 66 2.346 -8.506 10.182 471 HB VAL 66 HB VAL 66 3.312 -11.369 10.255 472 1HG1 VAL 66 1HG1 VAL 66 4.664 -9.216 11.321 473 2HG1 VAL 66 2HG1 VAL 66 3.654 -9.753 12.686 474 3HG1 VAL 66 3HG1 VAL 66 4.769 -10.897 11.900 475 1HG2 VAL 66 1HG2 VAL 66 1.651 -11.822 11.748 476 2HG2 VAL 66 2HG2 VAL 66 1.651 -10.173 12.420 477 3HG2 VAL 66 3HG2 VAL 66 0.844 -10.501 10.868 478 H TYR 67 HN TYR 67 3.644 -6.969 9.292 479 HA TYR 67 HA TYR 67 6.229 -7.890 8.288 480 1HB TYR 67 2HB TYR 67 3.988 -6.923 6.752 481 2HB TYR 67 3HB TYR 67 5.095 -5.568 6.849 482 HD1 TYR 67 HD1 TYR 67 4.978 -9.195 5.940 483 HD2 TYR 67 HD2 TYR 67 6.914 -5.422 5.376 484 HE1 TYR 67 HE1 TYR 67 6.365 -10.181 4.051 485 HE2 TYR 67 HE2 TYR 67 8.295 -6.420 3.489 486 HH TYR 67 HH TYR 67 7.938 -9.847 2.614 487 H LEU 68 HN LEU 68 4.100 -5.129 9.256 488 HA LEU 68 HA LEU 68 6.189 -3.302 9.612 489 1HB LEU 68 2HB LEU 68 3.372 -3.497 10.646 490 2HB LEU 68 3HB LEU 68 4.435 -2.190 11.128 491 HG LEU 68 HG LEU 68 3.838 -2.812 8.229 492 1HD1 LEU 68 1HD1 LEU 68 2.208 -0.926 8.334 493 2HD1 LEU 68 2HD1 LEU 68 1.706 -2.377 9.236 494 3HD1 LEU 68 3HD1 LEU 68 2.348 -0.964 10.109 495 1HD2 LEU 68 1HD2 LEU 68 4.534 -0.452 7.904 496 2HD2 LEU 68 2HD2 LEU 68 4.973 -0.376 9.628 497 3HD2 LEU 68 3HD2 LEU 68 5.829 -1.494 8.538 498 H GLY 69 HN GLY 69 4.444 -5.448 11.962 499 1HA GLY 69 1HA GLY 69 6.455 -4.814 13.991 500 2HA GLY 69 2HA GLY 69 4.945 -5.674 14.218 501 H ALA 70 HN ALA 70 7.808 -6.092 12.005 502 HA ALA 70 HA ALA 70 8.178 -8.751 13.164 503 1HB ALA 70 1HB ALA 70 8.042 -8.162 10.179 504 2HB ALA 70 2HB ALA 70 8.346 -9.744 10.938 505 3HB ALA 70 3HB ALA 70 6.759 -8.959 11.121 506 H GLU 71 HN GLU 71 9.428 -6.386 10.697 507 HA GLU 71 HA GLU 71 12.038 -7.241 10.857 508 1HB GLU 71 2HB GLU 71 12.595 -5.232 9.654 509 2HB GLU 71 3HB GLU 71 11.008 -5.728 9.102 510 1HG GLU 71 2HG GLU 71 10.085 -4.128 10.967 511 2HG GLU 71 3HG GLU 71 11.707 -3.466 11.010 512 H THR 72 HN THR 72 13.416 -4.658 11.368 513 HA THR 72 HA THR 72 14.631 -3.908 13.106 514 HB THR 72 HB THR 72 12.772 -2.300 12.979 515 HG1 THR 72 1HG THR 72 14.341 -2.527 14.914 516 1HG2 THR 72 1HG2 THR 72 10.801 -3.737 13.266 517 2HG2 THR 72 2HG2 THR 72 11.380 -4.274 14.862 518 3HG2 THR 72 3HG2 THR 72 10.848 -2.591 14.628 519 H THR 73 HN THR 73 14.918 -6.500 13.332 520 HA THR 73 HA THR 73 15.290 -6.902 16.075 521 HB THR 73 HB THR 73 12.682 -7.138 15.732 522 HG1 THR 73 1HG THR 73 14.413 -9.252 16.812 523 1HG2 THR 73 1HG2 THR 73 13.006 -8.779 13.748 524 2HG2 THR 73 2HG2 THR 73 13.598 -9.947 14.955 525 3HG2 THR 73 3HG2 THR 73 11.930 -9.333 15.053 526 H ARG 74 HN ARG 74 14.815 -8.307 12.814 527 HA ARG 74 HA ARG 74 17.257 -9.773 13.305 528 1HB ARG 74 2HB ARG 74 16.197 -11.754 12.020 529 2HB ARG 74 3HB ARG 74 15.659 -11.521 13.671 530 1HG ARG 74 2HG ARG 74 13.888 -9.903 12.263 531 2HG ARG 74 3HG ARG 74 14.147 -11.219 11.134 532 1HD ARG 74 2HD ARG 74 13.838 -12.426 13.714 533 2HD ARG 74 3HD ARG 74 12.583 -11.210 13.589 534 HE ARG 74 HE ARG 74 12.880 -12.920 11.205 535 1HH1 ARG 74 1HH1 ARG 74 9.804 -14.465 11.776 536 2HH1 ARG 74 2HH1 ARG 74 11.099 -14.240 10.648 537 1HH2 ARG 74 1HH2 ARG 74 9.876 -13.427 13.850 538 2HH2 ARG 74 2HH2 ARG 74 11.226 -12.427 14.271 539 H SER 75 HN SER 75 14.699 -8.677 11.001 540 HA SER 75 HA SER 75 16.618 -8.848 8.847 541 1HB SER 75 2HB SER 75 13.817 -9.205 9.032 542 2HB SER 75 3HB SER 75 14.015 -7.712 8.136 543 HG SER 75 HG SER 75 15.715 -9.846 7.368 544 H MET 76 HN MET 76 15.478 -6.634 11.207 545 HA MET 76 HA MET 76 15.343 -4.424 11.310 546 1HB MET 76 2HB MET 76 18.119 -5.030 10.175 547 2HB MET 76 3HB MET 76 17.693 -3.414 10.701 548 1HG MET 76 2HG MET 76 17.329 -4.139 12.981 549 2HG MET 76 3HG MET 76 17.333 -5.831 12.524 550 1HE MET 76 1HE MET 76 19.230 -7.095 13.485 551 2HE MET 76 2HE MET 76 20.660 -6.280 14.163 552 3HE MET 76 3HE MET 76 19.030 -5.814 14.704 553 H GLY 77 HN GLY 77 17.583 -4.150 8.539 554 1HA GLY 77 1HA GLY 77 15.413 -3.286 6.775 555 2HA GLY 77 2HA GLY 77 16.623 -2.098 7.214 556 H LEU 78 HN LEU 78 18.938 -3.829 7.372 557 HA LEU 78 HA LEU 78 19.294 -4.279 4.512 558 1HB LEU 78 2HB LEU 78 20.951 -2.871 5.223 559 2HB LEU 78 3HB LEU 78 21.070 -3.608 6.808 560 HG LEU 78 HG LEU 78 22.985 -3.892 5.045 561 1HD1 LEU 78 1HD1 LEU 78 23.206 -6.380 5.984 562 2HD1 LEU 78 2HD1 LEU 78 23.463 -4.942 7.002 563 3HD1 LEU 78 3HD1 LEU 78 21.906 -5.804 7.057 564 1HD2 LEU 78 1HD2 LEU 78 21.883 -6.470 4.254 565 2HD2 LEU 78 2HD2 LEU 78 20.937 -5.104 3.615 566 3HD2 LEU 78 3HD2 LEU 78 22.681 -5.212 3.279 567 H ALA 79 HN ALA 79 19.695 -5.882 7.727 568 HA ALA 79 HA ALA 79 20.770 -8.246 6.995 569 1HB ALA 79 1HB ALA 79 19.765 -9.143 8.974 570 2HB ALA 79 2HB ALA 79 20.046 -7.414 9.295 571 3HB ALA 79 3HB ALA 79 18.411 -7.991 8.892 572 H TYR 80 HN TYR 80 17.552 -6.984 6.214 573 HA TYR 80 HA TYR 80 16.366 -9.445 5.529 574 1HB TYR 80 2HB TYR 80 14.620 -7.952 5.016 575 2HB TYR 80 3HB TYR 80 15.644 -6.797 5.845 576 HD1 TYR 80 HD1 TYR 80 17.715 -6.077 3.996 577 HD2 TYR 80 HD2 TYR 80 13.611 -6.967 3.178 578 HE1 TYR 80 HE1 TYR 80 17.822 -4.664 1.884 579 HE2 TYR 80 HE2 TYR 80 13.732 -5.553 1.069 580 HH TYR 80 HH TYR 80 15.024 -4.449 -0.284 Start of MODEL 20 1 H SER 1 HN SER 1 -4.767 -1.766 8.696 2 HA SER 1 HA SER 1 -4.160 -4.310 9.946 3 1HB SER 1 2HB SER 1 -4.010 -3.210 7.163 4 2HB SER 1 3HB SER 1 -2.781 -4.380 7.599 5 HG SER 1 HG SER 1 -4.423 -5.659 6.871 6 H HIS 2 HN HIS 2 -1.571 -4.802 9.025 7 HA HIS 2 HA HIS 2 -0.089 -2.719 10.443 8 1HB HIS 2 2HB HIS 2 0.933 -5.499 9.904 9 2HB HIS 2 3HB HIS 2 1.444 -4.357 11.132 10 HD1 HIS 2 HD1 HIS 2 -1.819 -6.203 10.267 11 HD2 HIS 2 HD2 HIS 2 0.459 -5.012 13.582 12 HE1 HIS 2 HE1 HIS 2 -3.034 -7.094 12.326 13 H SER 3 HN SER 3 2.449 -4.055 9.326 14 HA SER 3 HA SER 3 3.244 -2.331 7.563 15 1HB SER 3 2HB SER 3 4.705 -4.124 8.224 16 2HB SER 3 3HB SER 3 3.673 -5.339 7.497 17 HG SER 3 HG SER 3 4.198 -3.879 5.434 18 H VAL 4 HN VAL 4 3.251 -1.999 5.231 19 HA VAL 4 HA VAL 4 0.815 -3.033 3.994 20 HB VAL 4 HB VAL 4 1.110 -1.184 2.426 21 1HG1 VAL 4 1HG1 VAL 4 -0.248 -0.392 4.070 22 2HG1 VAL 4 2HG1 VAL 4 0.914 -0.767 5.366 23 3HG1 VAL 4 3HG1 VAL 4 1.138 0.686 4.364 24 1HG2 VAL 4 1HG2 VAL 4 3.134 -0.315 2.077 25 2HG2 VAL 4 2HG2 VAL 4 3.045 0.443 3.686 26 3HG2 VAL 4 3HG2 VAL 4 3.792 -1.163 3.497 27 H LYS 5 HN LYS 5 2.533 -5.074 4.165 28 HA LYS 5 HA LYS 5 4.615 -5.408 2.527 29 1HB LYS 5 2HB LYS 5 2.613 -7.097 3.739 30 2HB LYS 5 3HB LYS 5 3.030 -7.724 2.157 31 1HG LYS 5 2HG LYS 5 5.228 -6.831 4.046 32 2HG LYS 5 3HG LYS 5 4.483 -8.403 4.261 33 1HD LYS 5 2HD LYS 5 5.135 -7.958 1.442 34 2HD LYS 5 3HD LYS 5 6.555 -7.723 2.441 35 1HE LYS 5 2HE LYS 5 6.031 -9.959 3.567 36 2HE LYS 5 3HE LYS 5 4.762 -10.195 2.381 37 1HZ LYS 5 1HZ LYS 5 7.471 -10.663 2.083 38 2HZ LYS 5 2HZ LYS 5 6.287 -10.888 0.979 39 3HZ LYS 5 3HZ LYS 5 7.082 -9.464 1.044 40 H ILE 6 HN ILE 6 4.903 -6.270 0.319 41 HA ILE 6 HA ILE 6 3.453 -4.728 -1.531 42 HB ILE 6 HB ILE 6 5.223 -7.106 -2.090 43 1HG1 ILE 6 2HG1 ILE 6 6.559 -5.830 -0.660 44 2HG1 ILE 6 3HG1 ILE 6 7.036 -5.313 -2.265 45 1HG2 ILE 6 1HG2 ILE 6 3.831 -6.072 -3.949 46 2HG2 ILE 6 2HG2 ILE 6 4.833 -4.614 -3.752 47 3HG2 ILE 6 3HG2 ILE 6 5.589 -6.157 -4.217 48 1HD1 ILE 6 1HD1 ILE 6 4.973 -3.856 -0.550 49 2HD1 ILE 6 2HD1 ILE 6 6.689 -3.399 -0.667 50 3HD1 ILE 6 3HD1 ILE 6 5.642 -3.303 -2.104 51 H TYR 7 HN TYR 7 1.361 -5.044 -2.062 52 HA TYR 7 HA TYR 7 0.565 -7.656 -2.970 53 1HB TYR 7 2HB TYR 7 -0.465 -6.215 -0.463 54 2HB TYR 7 3HB TYR 7 -1.498 -7.348 -1.310 55 HD1 TYR 7 HD1 TYR 7 0.543 -7.073 1.432 56 HD2 TYR 7 HD2 TYR 7 -0.082 -9.667 -1.913 57 HE1 TYR 7 HE1 TYR 7 1.588 -8.999 2.722 58 HE2 TYR 7 HE2 TYR 7 0.965 -11.584 -0.612 59 HH TYR 7 HH TYR 7 2.603 -11.046 2.385 60 H ASP 8 HN ASP 8 -1.534 -7.603 -4.085 61 HA ASP 8 HA ASP 8 -1.957 -4.971 -5.170 62 1HB ASP 8 2HB ASP 8 -3.570 -6.347 -6.697 63 2HB ASP 8 3HB ASP 8 -1.844 -6.581 -6.887 64 H THR 9 HN THR 9 -2.813 -5.188 -2.477 65 HA THR 9 HA THR 9 -5.681 -5.739 -2.574 66 HB THR 9 HB THR 9 -4.445 -6.744 -0.720 67 HG1 THR 9 1HG THR 9 -6.530 -5.322 -0.477 68 1HG2 THR 9 1HG2 THR 9 -3.682 -4.456 0.819 69 2HG2 THR 9 2HG2 THR 9 -2.605 -5.702 0.145 70 3HG2 THR 9 3HG2 THR 9 -2.964 -4.233 -0.794 71 H CYS 10 HN CYS 10 -6.572 -4.058 -3.755 72 HA CYS 10 HA CYS 10 -6.842 -1.641 -2.268 73 1HB CYS 10 2HB CYS 10 -4.658 -1.362 -3.597 74 2HB CYS 10 3HB CYS 10 -5.659 -1.324 -5.036 75 H ILE 11 HN ILE 11 -8.874 -0.748 -2.750 76 HA ILE 11 HA ILE 11 -10.299 -2.057 -4.958 77 HB ILE 11 HB ILE 11 -12.234 -2.017 -3.723 78 1HG1 ILE 11 2HG1 ILE 11 -11.849 0.480 -3.120 79 2HG1 ILE 11 3HG1 ILE 11 -12.874 -0.509 -2.099 80 1HG2 ILE 11 1HG2 ILE 11 -9.967 -2.422 -1.757 81 2HG2 ILE 11 2HG2 ILE 11 -11.663 -2.860 -1.438 82 3HG2 ILE 11 3HG2 ILE 11 -10.774 -3.649 -2.762 83 1HD1 ILE 11 1HD1 ILE 11 -10.795 -0.979 -0.660 84 2HD1 ILE 11 2HD1 ILE 11 -9.982 0.299 -1.595 85 3HD1 ILE 11 3HD1 ILE 11 -11.415 0.690 -0.613 86 H GLY 12 HN GLY 12 -8.901 0.876 -3.798 87 1HA GLY 12 1HA GLY 12 -8.906 2.475 -5.795 88 2HA GLY 12 2HA GLY 12 -10.639 2.503 -5.537 89 H CYS 13 HN CYS 13 -9.775 2.005 -2.472 90 HA CYS 13 HA CYS 13 -10.096 4.709 -1.756 91 1HB CYS 13 2HB CYS 13 -10.866 3.643 0.048 92 2HB CYS 13 3HB CYS 13 -10.109 2.137 -0.434 93 H THR 14 HN THR 14 -8.474 5.873 -0.271 94 HA THR 14 HA THR 14 -5.705 5.119 -0.883 95 HB THR 14 HB THR 14 -5.277 7.552 -1.400 96 HG1 THR 14 1HG THR 14 -6.967 8.831 -0.768 97 1HG2 THR 14 1HG2 THR 14 -6.785 7.695 -3.508 98 2HG2 THR 14 2HG2 THR 14 -5.705 6.284 -3.412 99 3HG2 THR 14 3HG2 THR 14 -7.432 6.112 -3.016 100 H GLN 15 HN GLN 15 -6.573 4.266 1.428 101 HA GLN 15 HA GLN 15 -6.376 6.356 3.378 102 1HB GLN 15 2HB GLN 15 -6.842 4.567 5.008 103 2HB GLN 15 3HB GLN 15 -7.992 4.509 3.688 104 1HG GLN 15 2HG GLN 15 -6.738 2.674 2.614 105 2HG GLN 15 3HG GLN 15 -5.473 2.787 3.820 106 1HE2 GLN 15 1HE2 GLN 15 -5.940 0.522 4.131 107 2HE2 GLN 15 2HE2 GLN 15 -7.209 0.026 5.201 108 H CYS 16 HN CYS 16 -4.452 3.582 2.137 109 HA CYS 16 HA CYS 16 -2.364 4.128 4.053 110 1HB CYS 16 2HB CYS 16 -1.322 2.140 3.285 111 2HB CYS 16 3HB CYS 16 -3.036 1.788 3.374 112 H VAL 17 HN VAL 17 -3.299 6.096 1.897 113 HA VAL 17 HA VAL 17 -0.681 6.410 0.603 114 HB VAL 17 HB VAL 17 -3.312 7.227 -0.619 115 1HG1 VAL 17 1HG1 VAL 17 -0.893 6.552 -2.223 116 2HG1 VAL 17 2HG1 VAL 17 -2.126 7.810 -2.477 117 3HG1 VAL 17 3HG1 VAL 17 -0.842 8.053 -1.269 118 1HG2 VAL 17 1HG2 VAL 17 -3.647 4.930 -0.557 119 2HG2 VAL 17 2HG2 VAL 17 -2.823 5.141 -2.120 120 3HG2 VAL 17 3HG2 VAL 17 -1.911 4.564 -0.704 121 H ARG 18 HN ARG 18 -2.167 7.409 3.172 122 HA ARG 18 HA ARG 18 -1.764 10.224 2.543 123 1HB ARG 18 2HB ARG 18 -4.047 8.876 3.740 124 2HB ARG 18 3HB ARG 18 -3.358 9.972 4.923 125 1HG ARG 18 2HG ARG 18 -4.971 11.254 3.669 126 2HG ARG 18 3HG ARG 18 -3.392 11.798 3.141 127 1HD ARG 18 2HD ARG 18 -4.001 9.613 1.436 128 2HD ARG 18 3HD ARG 18 -5.511 10.490 1.589 129 HE ARG 18 HE ARG 18 -3.140 12.170 1.063 130 1HH1 ARG 18 1HH1 ARG 18 -4.306 13.017 -2.115 131 2HH1 ARG 18 2HH1 ARG 18 -3.135 13.361 -0.886 132 1HH2 ARG 18 1HH2 ARG 18 -5.879 11.344 -1.781 133 2HH2 ARG 18 2HH2 ARG 18 -5.883 10.440 -0.304 134 H ALA 19 HN ALA 19 -1.951 7.889 5.340 135 HA ALA 19 HA ALA 19 -0.176 9.450 6.920 136 1HB ALA 19 1HB ALA 19 -2.073 7.588 7.445 137 2HB ALA 19 2HB ALA 19 -0.621 6.561 7.517 138 3HB ALA 19 3HB ALA 19 -0.758 7.984 8.578 139 H CYS 20 HN CYS 20 1.807 9.777 5.890 140 HA CYS 20 HA CYS 20 3.704 7.790 6.169 141 1HB CYS 20 2HB CYS 20 2.511 6.719 4.250 142 2HB CYS 20 3HB CYS 20 2.878 8.121 3.266 143 HA PRO 21 HA PRO 21 5.418 11.854 5.754 144 1HB PRO 21 2HB PRO 21 7.631 11.432 7.300 145 2HB PRO 21 3HB PRO 21 6.089 11.947 7.954 146 1HG PRO 21 2HG PRO 21 7.356 9.278 8.074 147 2HG PRO 21 3HG PRO 21 6.056 9.921 9.057 148 1HD PRO 21 2HD PRO 21 5.808 8.063 6.886 149 2HD PRO 21 3HD PRO 21 4.500 8.795 7.794 150 H LEU 22 HN LEU 22 7.663 9.120 5.701 151 HA LEU 22 HA LEU 22 9.458 10.357 3.974 152 1HB LEU 22 2HB LEU 22 8.944 7.396 4.237 153 2HB LEU 22 3HB LEU 22 10.418 8.178 3.701 154 HG LEU 22 HG LEU 22 9.977 9.252 6.241 155 1HD1 LEU 22 1HD1 LEU 22 9.195 6.335 6.168 156 2HD1 LEU 22 2HD1 LEU 22 9.819 7.133 7.632 157 3HD1 LEU 22 3HD1 LEU 22 8.312 7.706 6.879 158 1HD2 LEU 22 1HD2 LEU 22 11.957 7.956 6.872 159 2HD2 LEU 22 2HD2 LEU 22 11.773 6.955 5.413 160 3HD2 LEU 22 3HD2 LEU 22 12.139 8.690 5.260 161 H ASP 23 HN ASP 23 6.317 8.874 3.434 162 HA ASP 23 HA ASP 23 5.066 8.750 1.665 163 1HB ASP 23 2HB ASP 23 7.042 10.781 0.883 164 2HB ASP 23 3HB ASP 23 6.478 9.883 -0.513 165 H VAL 24 HN VAL 24 5.606 6.394 1.694 166 HA VAL 24 HA VAL 24 7.493 5.635 -0.425 167 HB VAL 24 HB VAL 24 7.764 3.549 0.741 168 1HG1 VAL 24 1HG1 VAL 24 8.256 4.868 3.164 169 2HG1 VAL 24 2HG1 VAL 24 9.387 4.654 1.807 170 3HG1 VAL 24 3HG1 VAL 24 8.398 6.129 1.917 171 1HG2 VAL 24 1HG2 VAL 24 5.507 4.573 2.446 172 2HG2 VAL 24 2HG2 VAL 24 5.734 2.971 1.705 173 3HG2 VAL 24 3HG2 VAL 24 6.695 3.437 3.128 174 H LEU 25 HN LEU 25 4.249 5.068 1.042 175 HA LEU 25 HA LEU 25 3.434 3.143 -0.818 176 1HB LEU 25 2HB LEU 25 1.749 5.091 0.759 177 2HB LEU 25 3HB LEU 25 1.197 3.609 0.003 178 HG LEU 25 HG LEU 25 3.287 2.779 1.660 179 1HD1 LEU 25 1HD1 LEU 25 2.251 3.755 3.890 180 2HD1 LEU 25 2HD1 LEU 25 3.554 4.597 3.017 181 3HD1 LEU 25 3HD1 LEU 25 1.867 5.132 2.830 182 1HD2 LEU 25 1HD2 LEU 25 1.694 1.437 2.630 183 2HD2 LEU 25 2HD2 LEU 25 0.449 2.709 2.617 184 3HD2 LEU 25 3HD2 LEU 25 0.885 1.875 1.106 185 H GLU 26 HN GLU 26 3.590 3.490 -2.984 186 HA GLU 26 HA GLU 26 2.291 5.919 -3.933 187 1HB GLU 26 2HB GLU 26 4.839 4.675 -5.061 188 2HB GLU 26 3HB GLU 26 3.985 6.030 -5.772 189 1HG GLU 26 2HG GLU 26 4.293 7.291 -3.582 190 2HG GLU 26 3HG GLU 26 5.280 5.962 -3.006 191 H MET 27 HN MET 27 2.409 5.406 -6.698 192 HA MET 27 HA MET 27 0.538 3.232 -6.821 193 1HB MET 27 2HB MET 27 0.083 4.123 -9.088 194 2HB MET 27 3HB MET 27 0.139 5.457 -7.954 195 1HG MET 27 2HG MET 27 1.676 6.411 -9.338 196 2HG MET 27 3HG MET 27 2.815 5.217 -8.747 197 1HE MET 27 1HE MET 27 3.061 5.623 -12.706 198 2HE MET 27 2HE MET 27 1.709 6.622 -12.120 199 3HE MET 27 3HE MET 27 3.236 6.564 -11.207 200 H VAL 28 HN VAL 28 0.847 1.258 -7.863 201 HA VAL 28 HA VAL 28 3.455 0.907 -9.169 202 HB VAL 28 HB VAL 28 3.889 -1.015 -8.020 203 1HG1 VAL 28 1HG1 VAL 28 3.970 -0.402 -5.828 204 2HG1 VAL 28 2HG1 VAL 28 3.404 1.147 -6.497 205 3HG1 VAL 28 3HG1 VAL 28 2.241 0.016 -5.764 206 1HG2 VAL 28 1HG2 VAL 28 2.051 -2.390 -8.443 207 2HG2 VAL 28 2HG2 VAL 28 2.020 -2.215 -6.672 208 3HG2 VAL 28 3HG2 VAL 28 0.904 -1.264 -7.680 209 HA PRO 29 HA PRO 29 1.257 -1.052 -12.339 210 1HB PRO 29 2HB PRO 29 2.720 -3.257 -13.016 211 2HB PRO 29 3HB PRO 29 3.155 -1.633 -13.506 212 1HG PRO 29 2HG PRO 29 4.379 -3.327 -11.415 213 2HG PRO 29 3HG PRO 29 5.039 -1.908 -12.205 214 1HD PRO 29 2HD PRO 29 3.927 -2.043 -9.564 215 2HD PRO 29 3HD PRO 29 4.480 -0.603 -10.396 216 H TRP 30 HN TRP 30 -0.762 -1.775 -12.183 217 HA TRP 30 HA TRP 30 -1.004 -4.480 -11.112 218 1HB TRP 30 2HB TRP 30 -1.399 -3.065 -9.197 219 2HB TRP 30 3HB TRP 30 -2.539 -2.085 -10.096 220 HD1 TRP 30 HD1 TRP 30 -4.994 -2.708 -9.493 221 HE1 TRP 30 HE1 TRP 30 -6.380 -4.822 -8.736 222 HE3 TRP 30 HE3 TRP 30 -1.079 -5.953 -9.565 223 HZ2 TRP 30 HZ2 TRP 30 -5.699 -7.553 -8.263 224 HZ3 TRP 30 HZ3 TRP 30 -1.526 -8.325 -8.942 225 HH2 TRP 30 HH2 TRP 30 -3.740 -9.141 -8.307 226 H ASP 31 HN ASP 31 -3.472 -5.158 -11.519 227 HA ASP 31 HA ASP 31 -4.378 -3.882 -13.963 228 1HB ASP 31 2HB ASP 31 -2.982 -6.160 -14.181 229 2HB ASP 31 3HB ASP 31 -4.502 -6.893 -13.707 230 H GLY 32 HN GLY 32 -5.731 -3.123 -11.871 231 1HA GLY 32 1HA GLY 32 -8.206 -4.631 -11.909 232 2HA GLY 32 2HA GLY 32 -7.383 -4.610 -10.362 233 H CYS 33 HN CYS 33 -6.159 -1.906 -10.801 234 HA CYS 33 HA CYS 33 -8.336 -0.408 -9.785 235 1HB CYS 33 2HB CYS 33 -5.480 -0.180 -9.860 236 2HB CYS 33 3HB CYS 33 -6.159 1.305 -10.497 237 HG CYS 33 HG CYS 33 -8.136 1.109 -8.440 238 H LYS 34 HN LYS 34 -8.785 1.885 -10.801 239 HA LYS 34 HA LYS 34 -9.826 1.482 -13.362 240 1HB LYS 34 2HB LYS 34 -10.230 3.266 -11.336 241 2HB LYS 34 3HB LYS 34 -9.366 4.271 -12.481 242 1HG LYS 34 2HG LYS 34 -11.095 3.030 -14.196 243 2HG LYS 34 3HG LYS 34 -12.063 2.986 -12.736 244 1HD LYS 34 2HD LYS 34 -12.361 5.271 -12.696 245 2HD LYS 34 3HD LYS 34 -10.730 5.602 -13.247 246 1HE LYS 34 2HE LYS 34 -12.238 6.297 -15.014 247 2HE LYS 34 3HE LYS 34 -11.417 4.853 -15.572 248 1HZ LYS 34 1HZ LYS 34 -14.064 5.172 -15.511 249 2HZ LYS 34 2HZ LYS 34 -13.311 3.724 -15.573 250 3HZ LYS 34 3HZ LYS 34 -13.825 4.317 -14.140 251 H ALA 35 HN ALA 35 -6.667 2.536 -12.192 252 HA ALA 35 HA ALA 35 -5.923 3.113 -14.980 253 1HB ALA 35 1HB ALA 35 -5.335 5.109 -14.081 254 2HB ALA 35 2HB ALA 35 -5.404 4.484 -12.416 255 3HB ALA 35 3HB ALA 35 -3.948 4.223 -13.406 256 H GLY 36 HN GLY 36 -6.156 0.460 -13.644 257 1HA GLY 36 1HA GLY 36 -4.918 -1.377 -13.149 258 2HA GLY 36 2HA GLY 36 -4.063 -0.902 -14.604 259 H GLN 37 HN GLN 37 -4.212 0.476 -11.237 260 HA GLN 37 HA GLN 37 -1.433 -0.181 -10.916 261 1HB GLN 37 2HB GLN 37 -0.936 2.235 -10.201 262 2HB GLN 37 3HB GLN 37 -1.099 1.952 -11.923 263 1HG GLN 37 2HG GLN 37 -2.720 3.532 -11.989 264 2HG GLN 37 3HG GLN 37 -3.737 2.487 -11.017 265 1HE2 GLN 37 1HE2 GLN 37 -4.195 2.994 -8.977 266 2HE2 GLN 37 2HE2 GLN 37 -3.566 4.349 -8.099 267 H ILE 38 HN ILE 38 -1.218 -1.007 -8.883 268 HA ILE 38 HA ILE 38 -3.309 -0.351 -6.960 269 HB ILE 38 HB ILE 38 -2.608 -2.725 -7.658 270 1HG1 ILE 38 2HG1 ILE 38 -2.585 -3.109 -4.886 271 2HG1 ILE 38 3HG1 ILE 38 -3.434 -1.591 -5.104 272 1HG2 ILE 38 1HG2 ILE 38 -0.792 -3.572 -6.010 273 2HG2 ILE 38 2HG2 ILE 38 -0.296 -2.782 -7.525 274 3HG2 ILE 38 3HG2 ILE 38 -0.253 -1.876 -5.993 275 1HD1 ILE 38 1HD1 ILE 38 -5.101 -2.569 -6.492 276 2HD1 ILE 38 2HD1 ILE 38 -4.100 -4.002 -6.829 277 3HD1 ILE 38 3HD1 ILE 38 -4.829 -3.784 -5.219 278 H ALA 39 HN ALA 39 -2.935 0.753 -5.063 279 HA ALA 39 HA ALA 39 -0.506 2.247 -4.944 280 1HB ALA 39 1HB ALA 39 -1.665 3.562 -3.462 281 2HB ALA 39 2HB ALA 39 -3.054 2.742 -4.215 282 3HB ALA 39 3HB ALA 39 -2.424 2.171 -2.651 283 H SER 40 HN SER 40 1.334 1.116 -4.438 284 HA SER 40 HA SER 40 1.279 -0.196 -1.861 285 1HB SER 40 2HB SER 40 2.042 -1.485 -4.489 286 2HB SER 40 3HB SER 40 2.855 -1.989 -3.021 287 HG SER 40 HG SER 40 0.476 -2.152 -2.179 288 H SER 41 HN SER 41 3.890 -1.059 -1.657 289 HA SER 41 HA SER 41 5.359 1.395 -2.222 290 1HB SER 41 2HB SER 41 4.880 0.147 0.233 291 2HB SER 41 3HB SER 41 6.498 -0.393 -0.166 292 HG SER 41 HG SER 41 5.932 2.371 -0.548 293 HA PRO 42 HA PRO 42 7.504 -1.638 -4.703 294 1HB PRO 42 2HB PRO 42 8.361 0.090 -6.639 295 2HB PRO 42 3HB PRO 42 6.833 -0.764 -6.725 296 1HG PRO 42 2HG PRO 42 7.334 2.080 -6.091 297 2HG PRO 42 3HG PRO 42 5.840 1.314 -6.594 298 1HD PRO 42 2HD PRO 42 6.535 2.142 -3.936 299 2HD PRO 42 3HD PRO 42 5.091 1.272 -4.420 300 H ARG 43 HN ARG 43 8.901 1.599 -4.377 301 HA ARG 43 HA ARG 43 11.426 0.285 -3.924 302 1HB ARG 43 2HB ARG 43 10.837 3.281 -4.113 303 2HB ARG 43 3HB ARG 43 12.414 2.523 -4.218 304 1HG ARG 43 2HG ARG 43 10.193 1.808 -6.171 305 2HG ARG 43 3HG ARG 43 11.226 3.196 -6.443 306 1HD ARG 43 2HD ARG 43 12.599 1.696 -7.501 307 2HD ARG 43 3HD ARG 43 13.121 1.279 -5.881 308 HE ARG 43 HE ARG 43 10.770 -0.232 -6.445 309 1HH1 ARG 43 1HH1 ARG 43 12.364 -3.054 -7.738 310 2HH1 ARG 43 2HH1 ARG 43 10.894 -2.426 -7.071 311 1HH2 ARG 43 1HH2 ARG 43 14.207 -1.667 -7.998 312 2HH2 ARG 43 2HH2 ARG 43 14.112 -0.004 -7.524 313 H THR 44 HN THR 44 10.808 -0.552 -1.757 314 HA THR 44 HA THR 44 10.304 1.450 0.290 315 HB THR 44 HB THR 44 10.405 -1.609 0.231 316 HG1 THR 44 1HG THR 44 8.318 0.383 0.755 317 1HG2 THR 44 1HG2 THR 44 8.956 -0.664 2.482 318 2HG2 THR 44 2HG2 THR 44 10.508 -1.535 2.515 319 3HG2 THR 44 3HG2 THR 44 10.488 0.244 2.506 320 H GLU 45 HN GLU 45 12.863 1.545 -1.162 321 HA GLU 45 HA GLU 45 14.874 0.338 0.263 322 1HB GLU 45 2HB GLU 45 16.358 1.894 -0.827 323 2HB GLU 45 3HB GLU 45 15.064 1.545 -1.956 324 1HG GLU 45 2HG GLU 45 13.953 3.648 -1.480 325 2HG GLU 45 3HG GLU 45 14.973 3.951 -0.088 326 H ASP 46 HN ASP 46 12.748 2.971 1.133 327 HA ASP 46 HA ASP 46 14.318 3.298 3.553 328 1HB ASP 46 2HB ASP 46 13.386 5.406 1.620 329 2HB ASP 46 3HB ASP 46 13.256 5.792 3.324 330 H CYS 47 HN CYS 47 12.890 2.431 5.081 331 HA CYS 47 HA CYS 47 10.652 3.628 5.921 332 1HB CYS 47 2HB CYS 47 9.311 3.420 4.052 333 2HB CYS 47 3HB CYS 47 10.007 1.886 3.570 334 H VAL 48 HN VAL 48 11.591 2.827 7.867 335 HA VAL 48 HA VAL 48 11.813 -0.068 8.122 336 HB VAL 48 HB VAL 48 12.941 0.509 10.254 337 1HG1 VAL 48 1HG1 VAL 48 14.661 0.234 8.838 338 2HG1 VAL 48 2HG1 VAL 48 13.866 1.167 7.548 339 3HG1 VAL 48 3HG1 VAL 48 14.770 2.010 8.828 340 1HG2 VAL 48 1HG2 VAL 48 13.506 2.776 10.814 341 2HG2 VAL 48 2HG2 VAL 48 12.777 3.389 9.311 342 3HG2 VAL 48 3HG2 VAL 48 11.743 2.695 10.583 343 H GLY 49 HN GLY 49 9.208 0.475 7.771 344 1HA GLY 49 1HA GLY 49 7.155 0.445 8.701 345 2HA GLY 49 2HA GLY 49 7.901 -0.570 9.918 346 H CYS 50 HN CYS 50 7.972 2.967 9.041 347 HA CYS 50 HA CYS 50 8.188 3.670 11.796 348 1HB CYS 50 2HB CYS 50 8.651 5.790 11.071 349 2HB CYS 50 3HB CYS 50 9.085 4.897 9.628 350 H LYS 51 HN LYS 51 6.541 4.746 13.064 351 HA LYS 51 HA LYS 51 3.950 3.780 12.644 352 1HB LYS 51 2HB LYS 51 5.082 4.420 14.830 353 2HB LYS 51 3HB LYS 51 4.744 6.091 14.428 354 1HG LYS 51 2HG LYS 51 2.591 5.879 15.108 355 2HG LYS 51 3HG LYS 51 2.331 4.540 14.010 356 1HD LYS 51 2HD LYS 51 3.349 2.976 15.689 357 2HD LYS 51 3HD LYS 51 3.578 4.319 16.791 358 1HE LYS 51 2HE LYS 51 0.807 4.174 15.785 359 2HE LYS 51 3HE LYS 51 1.288 2.701 16.604 360 1HZ LYS 51 1HZ LYS 51 0.378 4.631 17.966 361 2HZ LYS 51 2HZ LYS 51 1.685 3.838 18.541 362 3HZ LYS 51 3HZ LYS 51 1.865 5.291 17.816 363 H ARG 52 HN ARG 52 2.964 4.311 10.719 364 HA ARG 52 HA ARG 52 1.625 6.628 10.521 365 1HB ARG 52 2HB ARG 52 4.415 6.940 9.601 366 2HB ARG 52 3HB ARG 52 3.264 7.350 8.345 367 1HG ARG 52 2HG ARG 52 2.640 8.427 11.067 368 2HG ARG 52 3HG ARG 52 4.069 9.093 10.303 369 1HD ARG 52 2HD ARG 52 2.723 9.662 8.270 370 2HD ARG 52 3HD ARG 52 1.293 8.983 9.023 371 HE ARG 52 HE ARG 52 2.588 11.542 9.701 372 1HH1 ARG 52 1HH1 ARG 52 0.118 12.321 12.039 373 2HH1 ARG 52 2HH1 ARG 52 1.470 12.922 11.139 374 1HH2 ARG 52 1HH2 ARG 52 -0.558 10.116 11.785 375 2HH2 ARG 52 2HH2 ARG 52 0.289 9.070 10.695 376 H CYS 53 HN CYS 53 0.415 4.541 9.953 377 HA CYS 53 HA CYS 53 -0.245 4.479 7.305 378 1HB CYS 53 2HB CYS 53 0.773 2.015 6.931 379 2HB CYS 53 3HB CYS 53 1.557 3.477 6.367 380 H GLU 54 HN GLU 54 0.544 1.536 9.252 381 HA GLU 54 HA GLU 54 -0.825 -0.078 9.885 382 1HB GLU 54 2HB GLU 54 -2.114 0.528 11.890 383 2HB GLU 54 3HB GLU 54 -0.574 1.365 11.884 384 1HG GLU 54 2HG GLU 54 -1.752 3.380 10.857 385 2HG GLU 54 3HG GLU 54 -3.274 2.538 11.074 386 H THR 55 HN THR 55 -1.709 1.132 7.366 387 HA THR 55 HA THR 55 -4.621 0.773 7.655 388 HB THR 55 HB THR 55 -4.339 2.158 5.322 389 HG1 THR 55 1HG THR 55 -2.549 3.743 6.006 390 1HG2 THR 55 1HG2 THR 55 -3.932 3.853 7.772 391 2HG2 THR 55 2HG2 THR 55 -5.142 4.014 6.475 392 3HG2 THR 55 3HG2 THR 55 -5.373 2.807 7.763 393 H ALA 56 HN ALA 56 -2.311 0.719 4.872 394 HA ALA 56 HA ALA 56 -2.061 -0.757 3.241 395 1HB ALA 56 1HB ALA 56 -2.271 -3.263 4.161 396 2HB ALA 56 2HB ALA 56 -0.899 -2.215 4.596 397 3HB ALA 56 3HB ALA 56 -2.257 -2.420 5.729 398 H CYS 57 HN CYS 57 -4.344 -2.932 4.938 399 HA CYS 57 HA CYS 57 -6.672 -2.070 3.730 400 1HB CYS 57 2HB CYS 57 -4.988 -3.290 1.816 401 2HB CYS 57 3HB CYS 57 -6.213 -4.484 2.197 402 HA PRO 58 HA PRO 58 -7.999 -5.243 6.403 403 1HB PRO 58 2HB PRO 58 -10.490 -5.871 5.468 404 2HB PRO 58 3HB PRO 58 -10.162 -4.454 6.446 405 1HG PRO 58 2HG PRO 58 -10.681 -4.622 3.541 406 2HG PRO 58 3HG PRO 58 -10.775 -3.224 4.594 407 1HD PRO 58 2HD PRO 58 -8.672 -3.841 2.743 408 2HD PRO 58 3HD PRO 58 -8.711 -2.507 3.878 409 H THR 59 HN THR 59 -9.506 -7.509 6.235 410 HA THR 59 HA THR 59 -7.580 -9.228 4.982 411 HB THR 59 HB THR 59 -10.210 -9.676 6.487 412 HG1 THR 59 1HG THR 59 -8.088 -8.753 7.434 413 1HG2 THR 59 1HG2 THR 59 -10.042 -11.877 5.896 414 2HG2 THR 59 2HG2 THR 59 -8.573 -11.545 4.948 415 3HG2 THR 59 3HG2 THR 59 -8.447 -11.911 6.685 416 H ASP 60 HN ASP 60 -10.272 -7.472 3.853 417 HA ASP 60 HA ASP 60 -11.614 -9.149 2.257 418 1HB ASP 60 2HB ASP 60 -11.013 -6.305 2.334 419 2HB ASP 60 3HB ASP 60 -11.039 -6.833 0.664 420 H PHE 61 HN PHE 61 -8.248 -8.103 2.039 421 HA PHE 61 HA PHE 61 -7.900 -9.816 -0.283 422 1HB PHE 61 2HB PHE 61 -8.042 -6.979 -0.400 423 2HB PHE 61 3HB PHE 61 -6.320 -7.291 -0.332 424 HD1 PHE 61 1HD PHE 61 -8.971 -6.813 -2.496 425 HD2 PHE 61 2HD PHE 61 -5.578 -9.308 -1.981 426 HE1 PHE 61 1HE PHE 61 -8.965 -7.311 -4.956 427 HE2 PHE 61 2HE PHE 61 -5.571 -9.806 -4.441 428 HZ PHE 61 HZ PHE 61 -7.265 -8.802 -5.899 429 H LEU 62 HN LEU 62 -6.019 -7.401 1.692 430 HA LEU 62 HA LEU 62 -3.818 -9.249 1.814 431 1HB LEU 62 2HB LEU 62 -3.014 -7.146 1.581 432 2HB LEU 62 3HB LEU 62 -4.327 -6.406 2.473 433 HG LEU 62 HG LEU 62 -3.057 -7.788 4.466 434 1HD1 LEU 62 1HD1 LEU 62 -0.766 -7.826 4.256 435 2HD1 LEU 62 2HD1 LEU 62 -1.275 -8.269 2.608 436 3HD1 LEU 62 3HD1 LEU 62 -0.750 -6.606 2.960 437 1HD2 LEU 62 1HD2 LEU 62 -1.830 -5.207 4.245 438 2HD2 LEU 62 2HD2 LEU 62 -3.525 -5.098 3.714 439 3HD2 LEU 62 3HD2 LEU 62 -3.138 -5.747 5.326 440 H SER 63 HN SER 63 -3.516 -10.775 3.344 441 HA SER 63 HA SER 63 -4.234 -10.275 6.018 442 1HB SER 63 2HB SER 63 -5.991 -11.871 6.340 443 2HB SER 63 3HB SER 63 -6.475 -10.890 4.972 444 HG SER 63 HG SER 63 -6.652 -13.344 4.805 445 H ILE 64 HN ILE 64 -1.822 -10.890 4.656 446 HA ILE 64 HA ILE 64 -1.350 -13.637 5.587 447 HB ILE 64 HB ILE 64 -0.155 -12.203 3.215 448 1HG1 ILE 64 2HG1 ILE 64 -1.376 -14.815 2.773 449 2HG1 ILE 64 3HG1 ILE 64 -2.523 -13.667 3.431 450 1HG2 ILE 64 1HG2 ILE 64 1.517 -13.547 4.467 451 2HG2 ILE 64 2HG2 ILE 64 0.487 -14.980 4.238 452 3HG2 ILE 64 3HG2 ILE 64 1.193 -14.158 2.827 453 1HD1 ILE 64 1HD1 ILE 64 -0.769 -12.542 1.310 454 2HD1 ILE 64 2HD1 ILE 64 -1.858 -13.841 0.766 455 3HD1 ILE 64 3HD1 ILE 64 -2.528 -12.382 1.537 456 H ARG 65 HN ARG 65 1.126 -11.374 4.408 457 HA ARG 65 HA ARG 65 2.358 -11.554 6.977 458 1HB ARG 65 2HB ARG 65 3.157 -10.556 4.239 459 2HB ARG 65 3HB ARG 65 4.061 -9.961 5.618 460 1HG ARG 65 2HG ARG 65 5.304 -11.864 5.328 461 2HG ARG 65 3HG ARG 65 4.007 -12.633 6.221 462 1HD ARG 65 2HD ARG 65 3.690 -13.978 4.413 463 2HD ARG 65 3HD ARG 65 3.034 -12.582 3.581 464 HE ARG 65 HE ARG 65 5.922 -12.545 3.462 465 1HH1 ARG 65 1HH1 ARG 65 6.118 -13.903 0.254 466 2HH1 ARG 65 2HH1 ARG 65 6.973 -13.052 1.498 467 1HH2 ARG 65 1HH2 ARG 65 3.906 -14.525 0.583 468 2HH2 ARG 65 2HH2 ARG 65 3.111 -14.139 2.073 469 H VAL 66 HN VAL 66 2.165 -10.005 8.573 470 HA VAL 66 HA VAL 66 1.730 -7.248 7.782 471 HB VAL 66 HB VAL 66 -0.205 -6.977 9.202 472 1HG1 VAL 66 1HG1 VAL 66 -0.417 -7.704 6.769 473 2HG1 VAL 66 2HG1 VAL 66 -0.776 -9.334 7.387 474 3HG1 VAL 66 3HG1 VAL 66 -1.843 -7.969 7.800 475 1HG2 VAL 66 1HG2 VAL 66 0.598 -9.504 10.273 476 2HG2 VAL 66 2HG2 VAL 66 -0.682 -8.407 10.842 477 3HG2 VAL 66 3HG2 VAL 66 -1.057 -9.666 9.641 478 H TYR 67 HN TYR 67 2.788 -5.844 9.144 479 HA TYR 67 HA TYR 67 3.443 -6.687 11.822 480 1HB TYR 67 2HB TYR 67 5.678 -5.829 9.926 481 2HB TYR 67 3HB TYR 67 5.829 -6.741 11.415 482 HD1 TYR 67 HD1 TYR 67 5.558 -6.931 7.838 483 HD2 TYR 67 HD2 TYR 67 4.987 -9.167 11.441 484 HE1 TYR 67 HE1 TYR 67 5.634 -9.099 6.513 485 HE2 TYR 67 HE2 TYR 67 5.064 -11.328 10.102 486 HH TYR 67 HH TYR 67 5.588 -12.218 8.156 487 H LEU 68 HN LEU 68 3.083 -4.921 13.061 488 HA LEU 68 HA LEU 68 3.020 -2.336 11.793 489 1HB LEU 68 2HB LEU 68 2.068 -3.568 14.293 490 2HB LEU 68 3HB LEU 68 2.590 -1.902 14.451 491 HG LEU 68 HG LEU 68 0.465 -2.947 12.561 492 1HD1 LEU 68 1HD1 LEU 68 -0.467 -2.930 14.713 493 2HD1 LEU 68 2HD1 LEU 68 0.355 -1.415 15.158 494 3HD1 LEU 68 3HD1 LEU 68 -0.982 -1.389 13.983 495 1HD2 LEU 68 1HD2 LEU 68 0.638 -1.101 11.349 496 2HD2 LEU 68 2HD2 LEU 68 0.478 -0.088 12.804 497 3HD2 LEU 68 3HD2 LEU 68 2.085 -0.648 12.282 498 H GLY 69 HN GLY 69 5.473 -2.831 11.265 499 1HA GLY 69 1HA GLY 69 7.676 -2.536 11.744 500 2HA GLY 69 2HA GLY 69 7.086 -0.989 12.320 501 H ALA 70 HN ALA 70 7.098 -4.436 13.504 502 HA ALA 70 HA ALA 70 7.877 -3.370 16.128 503 1HB ALA 70 1HB ALA 70 6.082 -4.554 16.805 504 2HB ALA 70 2HB ALA 70 5.923 -5.352 15.222 505 3HB ALA 70 3HB ALA 70 7.031 -6.016 16.445 506 H GLU 71 HN GLU 71 8.357 -6.113 13.801 507 HA GLU 71 HA GLU 71 10.897 -6.599 15.123 508 1HB GLU 71 2HB GLU 71 8.921 -8.357 14.310 509 2HB GLU 71 3HB GLU 71 10.037 -8.447 12.961 510 1HG GLU 71 2HG GLU 71 10.757 -10.121 14.531 511 2HG GLU 71 3HG GLU 71 11.919 -8.816 14.651 512 H THR 72 HN THR 72 9.593 -6.701 11.720 513 HA THR 72 HA THR 72 10.637 -6.302 9.775 514 HB THR 72 HB THR 72 11.459 -3.905 9.669 515 HG1 THR 72 1HG THR 72 11.908 -2.952 11.653 516 1HG2 THR 72 1HG2 THR 72 9.394 -2.841 10.319 517 2HG2 THR 72 2HG2 THR 72 8.927 -4.485 9.820 518 3HG2 THR 72 3HG2 THR 72 9.059 -4.083 11.549 519 H THR 73 HN THR 73 12.073 -8.224 10.942 520 HA THR 73 HA THR 73 14.775 -7.487 10.141 521 HB THR 73 HB THR 73 14.705 -7.080 12.595 522 HG1 THR 73 1HG THR 73 16.524 -8.234 11.448 523 1HG2 THR 73 1HG2 THR 73 12.831 -9.007 12.846 524 2HG2 THR 73 2HG2 THR 73 14.270 -10.032 13.061 525 3HG2 THR 73 3HG2 THR 73 13.979 -8.665 14.163 526 H ARG 74 HN ARG 74 12.473 -10.043 11.230 527 HA ARG 74 HA ARG 74 14.001 -11.879 9.586 528 1HB ARG 74 2HB ARG 74 12.877 -13.674 10.814 529 2HB ARG 74 3HB ARG 74 13.489 -12.516 11.977 530 1HG ARG 74 2HG ARG 74 11.086 -11.409 11.731 531 2HG ARG 74 3HG ARG 74 10.628 -12.976 11.094 532 1HD ARG 74 2HD ARG 74 12.234 -13.090 13.606 533 2HD ARG 74 3HD ARG 74 10.665 -12.330 13.783 534 HE ARG 74 HE ARG 74 11.166 -15.148 13.318 535 1HH1 ARG 74 1HH1 ARG 74 7.815 -15.935 12.749 536 2HH1 ARG 74 2HH1 ARG 74 9.389 -16.567 13.096 537 1HH2 ARG 74 1HH2 ARG 74 7.510 -13.646 12.508 538 2HH2 ARG 74 2HH2 ARG 74 8.857 -12.571 12.676 539 H SER 75 HN SER 75 11.065 -10.010 9.757 540 HA SER 75 HA SER 75 9.892 -11.658 7.660 541 1HB SER 75 2HB SER 75 7.758 -10.957 8.354 542 2HB SER 75 3HB SER 75 8.620 -11.109 9.872 543 HG SER 75 HG SER 75 9.135 -8.697 9.491 544 H MET 76 HN MET 76 11.756 -8.901 8.186 545 HA MET 76 HA MET 76 10.586 -6.943 6.697 546 1HB MET 76 2HB MET 76 13.226 -7.635 7.740 547 2HB MET 76 3HB MET 76 13.418 -6.954 6.138 548 1HG MET 76 2HG MET 76 11.636 -5.592 8.193 549 2HG MET 76 3HG MET 76 13.368 -5.324 8.195 550 1HE MET 76 1HE MET 76 14.189 -3.377 5.153 551 2HE MET 76 2HE MET 76 14.156 -3.031 6.899 552 3HE MET 76 3HE MET 76 14.716 -4.617 6.316 553 H GLY 77 HN GLY 77 12.777 -9.614 5.586 554 1HA GLY 77 1HA GLY 77 11.791 -10.493 3.373 555 2HA GLY 77 2HA GLY 77 12.176 -8.883 2.800 556 H LEU 78 HN LEU 78 13.994 -10.948 5.155 557 HA LEU 78 HA LEU 78 16.265 -10.794 3.300 558 1HB LEU 78 2HB LEU 78 16.572 -11.360 6.218 559 2HB LEU 78 3HB LEU 78 17.709 -10.649 5.089 560 HG LEU 78 HG LEU 78 15.351 -9.345 6.447 561 1HD1 LEU 78 1HD1 LEU 78 17.409 -7.635 6.722 562 2HD1 LEU 78 2HD1 LEU 78 17.070 -8.959 7.863 563 3HD1 LEU 78 3HD1 LEU 78 18.309 -9.167 6.602 564 1HD2 LEU 78 1HD2 LEU 78 15.092 -7.771 4.885 565 2HD2 LEU 78 2HD2 LEU 78 16.845 -7.614 4.619 566 3HD2 LEU 78 3HD2 LEU 78 15.930 -8.895 3.789 567 H ALA 79 HN ALA 79 15.160 -12.908 6.046 568 HA ALA 79 HA ALA 79 16.210 -15.195 4.622 569 1HB ALA 79 1HB ALA 79 14.681 -15.577 7.133 570 2HB ALA 79 2HB ALA 79 16.304 -16.149 6.684 571 3HB ALA 79 3HB ALA 79 16.078 -14.483 7.268 572 H TYR 80 HN TYR 80 13.067 -13.746 5.592 573 HA TYR 80 HA TYR 80 11.280 -15.667 5.216 574 1HB TYR 80 2HB TYR 80 9.831 -13.827 4.701 575 2HB TYR 80 3HB TYR 80 11.200 -12.998 5.415 576 HD1 TYR 80 HD1 TYR 80 8.989 -12.161 3.249 577 HD2 TYR 80 HD2 TYR 80 13.134 -13.208 3.082 578 HE1 TYR 80 HE1 TYR 80 9.260 -10.778 1.134 579 HE2 TYR 80 HE2 TYR 80 13.391 -11.820 0.967 580 HH TYR 80 HH TYR 80 12.354 -10.029 -0.144 Start of MODEL 21 1 H SER 1 HN SER 1 -5.845 -8.141 10.848 2 HA SER 1 HA SER 1 -5.245 -7.112 8.197 3 1HB SER 1 2HB SER 1 -5.149 -4.911 9.218 4 2HB SER 1 3HB SER 1 -6.626 -5.694 9.740 5 HG SER 1 HG SER 1 -4.253 -5.929 11.340 6 H HIS 2 HN HIS 2 -3.303 -5.157 9.596 7 HA HIS 2 HA HIS 2 -1.192 -5.032 10.227 8 1HB HIS 2 2HB HIS 2 -1.104 -8.026 10.645 9 2HB HIS 2 3HB HIS 2 -0.043 -6.812 11.334 10 HD1 HIS 2 HD1 HIS 2 -1.267 -5.087 13.091 11 HD2 HIS 2 HD2 HIS 2 -3.282 -8.658 12.202 12 HE1 HIS 2 HE1 HIS 2 -2.998 -5.409 14.936 13 H SER 3 HN SER 3 1.052 -5.569 9.370 14 HA SER 3 HA SER 3 2.429 -5.950 7.734 15 1HB SER 3 2HB SER 3 2.384 -7.991 6.678 16 2HB SER 3 3HB SER 3 1.123 -8.306 7.855 17 HG SER 3 HG SER 3 0.789 -8.651 5.350 18 H VAL 4 HN VAL 4 2.769 -5.529 5.322 19 HA VAL 4 HA VAL 4 0.467 -4.209 4.098 20 HB VAL 4 HB VAL 4 3.190 -3.008 4.609 21 1HG1 VAL 4 1HG1 VAL 4 1.739 -1.063 3.304 22 2HG1 VAL 4 2HG1 VAL 4 3.014 -2.068 2.574 23 3HG1 VAL 4 3HG1 VAL 4 1.305 -2.535 2.403 24 1HG2 VAL 4 1HG2 VAL 4 1.912 -2.471 6.456 25 2HG2 VAL 4 2HG2 VAL 4 1.550 -1.098 5.383 26 3HG2 VAL 4 3HG2 VAL 4 0.390 -2.440 5.533 27 H LYS 5 HN LYS 5 3.875 -5.384 3.789 28 HA LYS 5 HA LYS 5 4.994 -6.091 1.988 29 1HB LYS 5 2HB LYS 5 3.305 -7.950 2.853 30 2HB LYS 5 3HB LYS 5 2.616 -7.758 1.255 31 1HG LYS 5 2HG LYS 5 5.379 -7.838 0.755 32 2HG LYS 5 3HG LYS 5 5.173 -8.997 2.052 33 1HD LYS 5 2HD LYS 5 3.020 -9.601 0.393 34 2HD LYS 5 3HD LYS 5 4.249 -9.134 -0.766 35 1HE LYS 5 2HE LYS 5 5.848 -10.721 0.548 36 2HE LYS 5 3HE LYS 5 4.406 -11.342 1.325 37 1HZ LYS 5 1HZ LYS 5 3.641 -12.192 -0.630 38 2HZ LYS 5 2HZ LYS 5 4.472 -11.153 -1.577 39 3HZ LYS 5 3HZ LYS 5 5.248 -12.389 -0.845 40 H ILE 6 HN ILE 6 4.080 -7.039 -0.576 41 HA ILE 6 HA ILE 6 3.115 -4.498 -1.693 42 HB ILE 6 HB ILE 6 5.103 -6.476 -2.809 43 1HG1 ILE 6 2HG1 ILE 6 6.487 -4.252 -2.799 44 2HG1 ILE 6 3HG1 ILE 6 5.329 -3.737 -1.588 45 1HG2 ILE 6 1HG2 ILE 6 4.968 -5.544 -4.853 46 2HG2 ILE 6 2HG2 ILE 6 3.321 -5.116 -4.330 47 3HG2 ILE 6 3HG2 ILE 6 4.632 -3.917 -4.213 48 1HD1 ILE 6 1HD1 ILE 6 5.916 -5.515 -0.094 49 2HD1 ILE 6 2HD1 ILE 6 6.769 -6.409 -1.376 50 3HD1 ILE 6 3HD1 ILE 6 7.464 -4.904 -0.727 51 H TYR 7 HN TYR 7 0.932 -5.453 -1.213 52 HA TYR 7 HA TYR 7 0.245 -7.561 -3.137 53 1HB TYR 7 2HB TYR 7 -0.863 -6.423 -0.515 54 2HB TYR 7 3HB TYR 7 -1.910 -7.374 -1.550 55 HD1 TYR 7 HD1 TYR 7 0.203 -7.539 1.213 56 HD2 TYR 7 HD2 TYR 7 -0.759 -9.703 -2.351 57 HE1 TYR 7 HE1 TYR 7 1.098 -9.676 2.260 58 HE2 TYR 7 HE2 TYR 7 0.141 -11.832 -1.293 59 HH TYR 7 HH TYR 7 2.089 -11.846 1.347 60 H ASP 8 HN ASP 8 -1.964 -7.352 -4.167 61 HA ASP 8 HA ASP 8 -2.160 -4.690 -5.200 62 1HB ASP 8 2HB ASP 8 -3.859 -5.726 -6.736 63 2HB ASP 8 3HB ASP 8 -2.306 -6.537 -6.779 64 H THR 9 HN THR 9 -2.853 -4.773 -2.453 65 HA THR 9 HA THR 9 -5.736 -5.046 -2.262 66 HB THR 9 HB THR 9 -4.182 -5.862 -0.464 67 HG1 THR 9 1HG THR 9 -5.786 -5.150 0.901 68 1HG2 THR 9 1HG2 THR 9 -3.748 -3.008 0.403 69 2HG2 THR 9 2HG2 THR 9 -2.758 -4.450 0.735 70 3HG2 THR 9 3HG2 THR 9 -2.660 -3.650 -0.852 71 H CYS 10 HN CYS 10 -6.710 -3.478 -3.505 72 HA CYS 10 HA CYS 10 -6.716 -0.891 -2.332 73 1HB CYS 10 2HB CYS 10 -4.653 -0.937 -3.913 74 2HB CYS 10 3HB CYS 10 -5.825 -0.905 -5.216 75 H ILE 11 HN ILE 11 -8.903 -0.505 -2.339 76 HA ILE 11 HA ILE 11 -10.454 -1.665 -4.534 77 HB ILE 11 HB ILE 11 -12.268 -1.782 -3.107 78 1HG1 ILE 11 2HG1 ILE 11 -12.139 0.571 -2.318 79 2HG1 ILE 11 3HG1 ILE 11 -12.584 -0.572 -1.066 80 1HG2 ILE 11 1HG2 ILE 11 -10.796 -3.488 -2.449 81 2HG2 ILE 11 2HG2 ILE 11 -9.727 -2.356 -1.585 82 3HG2 ILE 11 3HG2 ILE 11 -11.335 -2.737 -0.926 83 1HD1 ILE 11 1HD1 ILE 11 -9.992 0.931 -1.432 84 2HD1 ILE 11 2HD1 ILE 11 -10.956 0.686 0.044 85 3HD1 ILE 11 3HD1 ILE 11 -9.963 -0.642 -0.602 86 H GLY 12 HN GLY 12 -9.192 1.296 -3.221 87 1HA GLY 12 1HA GLY 12 -9.255 3.157 -4.791 88 2HA GLY 12 2HA GLY 12 -10.955 2.818 -5.047 89 H CYS 13 HN CYS 13 -8.882 3.052 -2.064 90 HA CYS 13 HA CYS 13 -10.846 4.986 -1.067 91 1HB CYS 13 2HB CYS 13 -10.911 3.955 0.933 92 2HB CYS 13 3HB CYS 13 -10.296 2.566 0.059 93 H THR 14 HN THR 14 -9.689 6.429 0.751 94 HA THR 14 HA THR 14 -7.089 7.246 -0.373 95 HB THR 14 HB THR 14 -7.754 9.502 0.061 96 HG1 THR 14 1HG THR 14 -9.724 8.103 1.721 97 1HG2 THR 14 1HG2 THR 14 -10.583 8.626 -0.288 98 2HG2 THR 14 2HG2 THR 14 -9.615 9.737 -1.285 99 3HG2 THR 14 3HG2 THR 14 -9.460 7.978 -1.507 100 H GLN 15 HN GLN 15 -6.248 5.432 1.034 101 HA GLN 15 HA GLN 15 -5.342 6.651 3.432 102 1HB GLN 15 2HB GLN 15 -6.488 5.486 5.020 103 2HB GLN 15 3HB GLN 15 -7.678 5.254 3.755 104 1HG GLN 15 2HG GLN 15 -6.184 3.160 3.100 105 2HG GLN 15 3HG GLN 15 -5.554 3.323 4.728 106 1HE2 GLN 15 1HE2 GLN 15 -6.504 1.178 4.943 107 2HE2 GLN 15 2HE2 GLN 15 -8.165 1.013 5.402 108 H CYS 16 HN CYS 16 -3.419 5.613 4.253 109 HA CYS 16 HA CYS 16 -1.754 4.125 4.287 110 1HB CYS 16 2HB CYS 16 -1.975 2.022 3.514 111 2HB CYS 16 3HB CYS 16 -3.632 2.491 3.186 112 H VAL 17 HN VAL 17 -2.981 5.011 0.984 113 HA VAL 17 HA VAL 17 -0.317 5.368 -0.011 114 HB VAL 17 HB VAL 17 -2.893 6.273 -1.284 115 1HG1 VAL 17 1HG1 VAL 17 -1.697 5.781 -3.374 116 2HG1 VAL 17 2HG1 VAL 17 -0.811 6.964 -2.383 117 3HG1 VAL 17 3HG1 VAL 17 -0.270 5.269 -2.440 118 1HG2 VAL 17 1HG2 VAL 17 -1.770 3.468 -1.084 119 2HG2 VAL 17 2HG2 VAL 17 -3.398 4.042 -0.648 120 3HG2 VAL 17 3HG2 VAL 17 -2.908 3.966 -2.358 121 H ARG 18 HN ARG 18 -2.570 7.204 1.860 122 HA ARG 18 HA ARG 18 -1.239 9.651 1.032 123 1HB ARG 18 2HB ARG 18 -3.996 8.998 1.724 124 2HB ARG 18 3HB ARG 18 -3.407 10.236 2.814 125 1HG ARG 18 2HG ARG 18 -4.206 11.526 1.020 126 2HG ARG 18 3HG ARG 18 -2.499 11.408 0.640 127 1HD ARG 18 2HD ARG 18 -3.759 9.085 -0.489 128 2HD ARG 18 3HD ARG 18 -4.763 10.460 -0.908 129 HE ARG 18 HE ARG 18 -2.096 9.899 -1.917 130 1HH1 ARG 18 1HH1 ARG 18 -1.782 12.970 -3.544 131 2HH1 ARG 18 2HH1 ARG 18 -1.145 11.367 -3.388 132 1HH2 ARG 18 1HH2 ARG 18 -3.600 13.628 -2.261 133 2HH2 ARG 18 2HH2 ARG 18 -4.321 12.514 -1.146 134 H ALA 19 HN ALA 19 -2.437 7.800 3.917 135 HA ALA 19 HA ALA 19 -1.527 9.346 5.940 136 1HB ALA 19 1HB ALA 19 -0.893 6.618 6.558 137 2HB ALA 19 2HB ALA 19 -2.324 7.560 7.041 138 3HB ALA 19 3HB ALA 19 -2.340 6.631 5.523 139 H CYS 20 HN CYS 20 0.392 6.657 4.406 140 HA CYS 20 HA CYS 20 2.717 6.951 5.657 141 1HB CYS 20 2HB CYS 20 2.342 5.280 3.919 142 2HB CYS 20 3HB CYS 20 2.341 6.517 2.677 143 HA PRO 21 HA PRO 21 3.455 11.229 4.650 144 1HB PRO 21 2HB PRO 21 5.036 11.792 6.808 145 2HB PRO 21 3HB PRO 21 3.291 11.959 6.828 146 1HG PRO 21 2HG PRO 21 4.967 9.856 8.057 147 2HG PRO 21 3HG PRO 21 3.303 10.280 8.409 148 1HD PRO 21 2HD PRO 21 4.214 8.028 6.884 149 2HD PRO 21 3HD PRO 21 2.551 8.517 7.139 150 H LEU 22 HN LEU 22 5.787 8.779 5.453 151 HA LEU 22 HA LEU 22 8.003 10.200 4.454 152 1HB LEU 22 2HB LEU 22 7.388 7.549 5.495 153 2HB LEU 22 3HB LEU 22 8.564 7.494 4.197 154 HG LEU 22 HG LEU 22 9.345 9.612 5.928 155 1HD1 LEU 22 1HD1 LEU 22 8.504 9.014 7.912 156 2HD1 LEU 22 2HD1 LEU 22 8.072 7.382 7.350 157 3HD1 LEU 22 3HD1 LEU 22 9.735 7.729 7.884 158 1HD2 LEU 22 1HD2 LEU 22 10.648 7.920 4.436 159 2HD2 LEU 22 2HD2 LEU 22 11.391 8.537 5.931 160 3HD2 LEU 22 3HD2 LEU 22 10.662 6.913 5.903 161 H ASP 23 HN ASP 23 5.298 8.599 2.948 162 HA ASP 23 HA ASP 23 4.719 8.429 0.860 163 1HB ASP 23 2HB ASP 23 7.361 9.717 0.043 164 2HB ASP 23 3HB ASP 23 5.905 9.613 -0.927 165 H VAL 24 HN VAL 24 5.716 6.159 1.938 166 HA VAL 24 HA VAL 24 7.958 5.183 0.402 167 HB VAL 24 HB VAL 24 6.183 3.730 2.368 168 1HG1 VAL 24 1HG1 VAL 24 8.999 2.988 2.287 169 2HG1 VAL 24 2HG1 VAL 24 7.546 1.974 2.114 170 3HG1 VAL 24 3HG1 VAL 24 8.224 2.807 0.694 171 1HG2 VAL 24 1HG2 VAL 24 7.719 4.342 4.125 172 2HG2 VAL 24 2HG2 VAL 24 8.766 5.205 2.973 173 3HG2 VAL 24 3HG2 VAL 24 7.139 5.829 3.335 174 H LEU 25 HN LEU 25 4.715 3.706 1.087 175 HA LEU 25 HA LEU 25 4.754 2.210 -1.279 176 1HB LEU 25 2HB LEU 25 2.323 1.873 -0.742 177 2HB LEU 25 3HB LEU 25 3.477 1.392 0.486 178 HG LEU 25 HG LEU 25 2.380 4.142 0.737 179 1HD1 LEU 25 1HD1 LEU 25 0.521 2.339 1.987 180 2HD1 LEU 25 2HD1 LEU 25 0.219 3.655 0.827 181 3HD1 LEU 25 3HD1 LEU 25 0.593 2.017 0.238 182 1HD2 LEU 25 1HD2 LEU 25 3.528 2.038 2.430 183 2HD2 LEU 25 2HD2 LEU 25 3.535 3.809 2.622 184 3HD2 LEU 25 3HD2 LEU 25 2.124 2.861 3.151 185 H GLU 26 HN GLU 26 4.419 2.791 -3.355 186 HA GLU 26 HA GLU 26 2.868 5.228 -3.759 187 1HB GLU 26 2HB GLU 26 5.299 4.337 -5.372 188 2HB GLU 26 3HB GLU 26 4.343 5.772 -5.679 189 1HG GLU 26 2HG GLU 26 5.452 5.431 -2.901 190 2HG GLU 26 3HG GLU 26 6.591 5.825 -4.173 191 H MET 27 HN MET 27 2.768 5.141 -6.595 192 HA MET 27 HA MET 27 0.864 3.043 -6.883 193 1HB MET 27 2HB MET 27 0.611 4.114 -9.199 194 2HB MET 27 3HB MET 27 0.376 5.229 -7.866 195 1HG MET 27 2HG MET 27 2.252 6.451 -8.386 196 2HG MET 27 3HG MET 27 3.207 5.025 -8.741 197 1HE MET 27 1HE MET 27 4.335 6.180 -10.366 198 2HE MET 27 2HE MET 27 4.031 4.864 -11.525 199 3HE MET 27 3HE MET 27 3.801 6.558 -12.021 200 H VAL 28 HN VAL 28 1.087 1.106 -7.978 201 HA VAL 28 HA VAL 28 3.595 0.748 -9.464 202 HB VAL 28 HB VAL 28 4.023 -1.259 -8.451 203 1HG1 VAL 28 1HG1 VAL 28 2.649 0.418 -6.328 204 2HG1 VAL 28 2HG1 VAL 28 3.680 -0.991 -5.978 205 3HG1 VAL 28 3HG1 VAL 28 4.369 0.439 -6.783 206 1HG2 VAL 28 1HG2 VAL 28 1.542 -1.988 -8.873 207 2HG2 VAL 28 2HG2 VAL 28 2.504 -2.799 -7.614 208 3HG2 VAL 28 3HG2 VAL 28 1.320 -1.549 -7.161 209 HA PRO 29 HA PRO 29 1.154 -1.017 -12.572 210 1HB PRO 29 2HB PRO 29 2.466 -3.269 -13.394 211 2HB PRO 29 3HB PRO 29 2.958 -1.651 -13.855 212 1HG PRO 29 2HG PRO 29 4.197 -3.475 -11.885 213 2HG PRO 29 3HG PRO 29 4.889 -2.065 -12.663 214 1HD PRO 29 2HD PRO 29 3.907 -2.233 -9.973 215 2HD PRO 29 3HD PRO 29 4.491 -0.795 -10.788 216 H TRP 30 HN TRP 30 -0.888 -1.645 -12.336 217 HA TRP 30 HA TRP 30 -1.198 -4.344 -11.239 218 1HB TRP 30 2HB TRP 30 -1.581 -2.839 -9.388 219 2HB TRP 30 3HB TRP 30 -2.694 -1.876 -10.341 220 HD1 TRP 30 HD1 TRP 30 -5.167 -2.428 -9.744 221 HE1 TRP 30 HE1 TRP 30 -6.601 -4.481 -8.914 222 HE3 TRP 30 HE3 TRP 30 -1.313 -5.742 -9.622 223 HZ2 TRP 30 HZ2 TRP 30 -5.977 -7.200 -8.312 224 HZ3 TRP 30 HZ3 TRP 30 -1.811 -8.076 -8.901 225 HH2 TRP 30 HH2 TRP 30 -4.048 -8.823 -8.260 226 H ASP 31 HN ASP 31 -3.687 -4.969 -11.643 227 HA ASP 31 HA ASP 31 -4.514 -3.786 -14.162 228 1HB ASP 31 2HB ASP 31 -3.201 -6.115 -14.248 229 2HB ASP 31 3HB ASP 31 -4.743 -6.774 -13.739 230 H GLY 32 HN GLY 32 -5.848 -2.880 -12.099 231 1HA GLY 32 1HA GLY 32 -8.378 -4.309 -12.096 232 2HA GLY 32 2HA GLY 32 -7.575 -4.193 -10.542 233 H CYS 33 HN CYS 33 -6.279 -1.573 -11.087 234 HA CYS 33 HA CYS 33 -8.473 0.048 -10.300 235 1HB CYS 33 2HB CYS 33 -5.669 0.141 -10.029 236 2HB CYS 33 3HB CYS 33 -6.087 1.554 -10.976 237 HG CYS 33 HG CYS 33 -6.685 2.850 -9.091 238 H LYS 34 HN LYS 34 -8.788 2.279 -11.464 239 HA LYS 34 HA LYS 34 -9.593 1.763 -14.094 240 1HB LYS 34 2HB LYS 34 -9.541 4.087 -12.245 241 2HB LYS 34 3HB LYS 34 -9.625 4.464 -13.954 242 1HG LYS 34 2HG LYS 34 -11.451 2.338 -13.644 243 2HG LYS 34 3HG LYS 34 -11.683 3.304 -12.199 244 1HD LYS 34 2HD LYS 34 -13.087 4.505 -13.573 245 2HD LYS 34 3HD LYS 34 -11.600 5.317 -14.022 246 1HE LYS 34 2HE LYS 34 -12.347 4.747 -16.144 247 2HE LYS 34 3HE LYS 34 -11.425 3.300 -15.790 248 1HZ LYS 34 1HZ LYS 34 -14.045 3.121 -14.762 249 2HZ LYS 34 2HZ LYS 34 -14.074 3.422 -16.366 250 3HZ LYS 34 3HZ LYS 34 -13.271 2.120 -15.794 251 H ALA 35 HN ALA 35 -6.552 2.825 -12.670 252 HA ALA 35 HA ALA 35 -5.556 3.404 -15.374 253 1HB ALA 35 1HB ALA 35 -3.642 4.368 -13.691 254 2HB ALA 35 2HB ALA 35 -5.009 5.336 -14.293 255 3HB ALA 35 3HB ALA 35 -5.093 4.581 -12.682 256 H GLY 36 HN GLY 36 -6.021 0.746 -13.879 257 1HA GLY 36 1HA GLY 36 -4.894 -1.153 -13.378 258 2HA GLY 36 2HA GLY 36 -4.029 -0.773 -14.854 259 H GLN 37 HN GLN 37 -4.054 0.710 -11.530 260 HA GLN 37 HA GLN 37 -1.318 -0.109 -11.214 261 1HB GLN 37 2HB GLN 37 -0.617 2.259 -10.614 262 2HB GLN 37 3HB GLN 37 -0.923 1.989 -12.318 263 1HG GLN 37 2HG GLN 37 -2.422 3.687 -12.278 264 2HG GLN 37 3HG GLN 37 -3.441 2.721 -11.230 265 1HE2 GLN 37 1HE2 GLN 37 -3.754 3.305 -9.192 266 2HE2 GLN 37 2HE2 GLN 37 -2.949 4.594 -8.360 267 H ILE 38 HN ILE 38 -1.139 -0.894 -9.161 268 HA ILE 38 HA ILE 38 -3.121 0.032 -7.220 269 HB ILE 38 HB ILE 38 -2.845 -2.415 -7.888 270 1HG1 ILE 38 2HG1 ILE 38 -2.686 -2.780 -5.111 271 2HG1 ILE 38 3HG1 ILE 38 -3.315 -1.156 -5.308 272 1HG2 ILE 38 1HG2 ILE 38 -0.342 -2.370 -7.783 273 2HG2 ILE 38 2HG2 ILE 38 -0.475 -2.271 -6.011 274 3HG2 ILE 38 3HG2 ILE 38 -1.104 -3.697 -6.871 275 1HD1 ILE 38 1HD1 ILE 38 -5.070 -2.011 -6.858 276 2HD1 ILE 38 2HD1 ILE 38 -4.431 -3.659 -6.655 277 3HD1 ILE 38 3HD1 ILE 38 -5.155 -2.809 -5.269 278 H ALA 39 HN ALA 39 -2.529 0.962 -5.258 279 HA ALA 39 HA ALA 39 0.117 2.086 -5.229 280 1HB ALA 39 1HB ALA 39 -2.504 2.530 -3.938 281 2HB ALA 39 2HB ALA 39 -1.111 2.814 -2.869 282 3HB ALA 39 3HB ALA 39 -1.248 3.700 -4.406 283 H SER 40 HN SER 40 1.798 0.835 -4.569 284 HA SER 40 HA SER 40 1.413 -0.567 -2.063 285 1HB SER 40 2HB SER 40 3.083 -2.311 -3.403 286 2HB SER 40 3HB SER 40 1.362 -2.549 -3.173 287 HG SER 40 HG SER 40 1.584 -0.935 -5.303 288 H SER 41 HN SER 41 3.872 -1.596 -1.570 289 HA SER 41 HA SER 41 5.654 0.663 -2.064 290 1HB SER 41 2HB SER 41 4.761 -0.529 0.425 291 2HB SER 41 3HB SER 41 6.493 -0.753 0.279 292 HG SER 41 HG SER 41 6.830 1.447 0.221 293 HA PRO 42 HA PRO 42 7.667 -2.966 -3.801 294 1HB PRO 42 2HB PRO 42 8.710 -1.735 -6.007 295 2HB PRO 42 3HB PRO 42 7.148 -2.531 -6.001 296 1HG PRO 42 2HG PRO 42 7.755 0.362 -5.965 297 2HG PRO 42 3HG PRO 42 6.254 -0.439 -6.383 298 1HD PRO 42 2HD PRO 42 6.846 0.923 -3.930 299 2HD PRO 42 3HD PRO 42 5.391 0.022 -4.303 300 H ARG 43 HN ARG 43 9.247 0.178 -4.197 301 HA ARG 43 HA ARG 43 11.642 -1.096 -3.222 302 1HB ARG 43 2HB ARG 43 11.285 1.763 -4.245 303 2HB ARG 43 3HB ARG 43 12.804 0.916 -4.033 304 1HG ARG 43 2HG ARG 43 10.632 -0.136 -5.891 305 2HG ARG 43 3HG ARG 43 11.827 1.024 -6.436 306 1HD ARG 43 2HD ARG 43 13.144 -0.780 -6.901 307 2HD ARG 43 3HD ARG 43 13.419 -0.880 -5.174 308 HE ARG 43 HE ARG 43 11.922 -2.707 -5.037 309 1HH1 ARG 43 1HH1 ARG 43 10.291 -4.378 -7.631 310 2HH1 ARG 43 2HH1 ARG 43 10.731 -4.428 -5.957 311 1HH2 ARG 43 1HH2 ARG 43 10.909 -2.564 -8.940 312 2HH2 ARG 43 2HH2 ARG 43 11.812 -1.260 -8.243 313 H THR 44 HN THR 44 10.868 -1.280 -0.960 314 HA THR 44 HA THR 44 10.344 1.211 0.436 315 HB THR 44 HB THR 44 10.468 -1.700 1.390 316 HG1 THR 44 1HG THR 44 8.697 -1.587 0.019 317 1HG2 THR 44 1HG2 THR 44 10.531 0.001 3.245 318 2HG2 THR 44 2HG2 THR 44 9.090 0.781 2.548 319 3HG2 THR 44 3HG2 THR 44 8.980 -0.871 3.200 320 H GLU 45 HN GLU 45 12.946 1.008 -0.809 321 HA GLU 45 HA GLU 45 14.858 0.156 1.000 322 1HB GLU 45 2HB GLU 45 16.439 1.376 -0.370 323 2HB GLU 45 3HB GLU 45 15.227 0.690 -1.434 324 1HG GLU 45 2HG GLU 45 14.090 2.818 -1.671 325 2HG GLU 45 3HG GLU 45 15.004 3.532 -0.357 326 H ASP 46 HN ASP 46 12.747 2.938 0.996 327 HA ASP 46 HA ASP 46 14.332 4.032 3.185 328 1HB ASP 46 2HB ASP 46 12.763 5.412 0.981 329 2HB ASP 46 3HB ASP 46 13.059 6.236 2.500 330 H CYS 47 HN CYS 47 13.184 3.937 5.126 331 HA CYS 47 HA CYS 47 10.671 4.811 5.557 332 1HB CYS 47 2HB CYS 47 9.439 3.328 4.320 333 2HB CYS 47 3HB CYS 47 10.620 2.040 4.456 334 H VAL 48 HN VAL 48 11.308 5.359 7.630 335 HA VAL 48 HA VAL 48 12.797 3.407 9.180 336 HB VAL 48 HB VAL 48 13.514 5.768 9.004 337 1HG1 VAL 48 1HG1 VAL 48 11.942 7.358 9.083 338 2HG1 VAL 48 2HG1 VAL 48 10.746 6.242 9.785 339 3HG1 VAL 48 3HG1 VAL 48 11.892 7.100 10.843 340 1HG2 VAL 48 1HG2 VAL 48 14.435 5.677 11.063 341 2HG2 VAL 48 2HG2 VAL 48 12.855 5.572 11.878 342 3HG2 VAL 48 3HG2 VAL 48 13.595 4.113 11.176 343 H GLY 49 HN GLY 49 10.159 2.588 8.534 344 1HA GLY 49 1HA GLY 49 8.120 2.109 9.433 345 2HA GLY 49 2HA GLY 49 9.131 1.565 10.756 346 H CYS 50 HN CYS 50 7.305 4.385 9.462 347 HA CYS 50 HA CYS 50 7.636 5.951 11.778 348 1HB CYS 50 2HB CYS 50 5.989 7.424 10.809 349 2HB CYS 50 3HB CYS 50 7.077 6.882 9.546 350 H LYS 51 HN LYS 51 4.762 6.676 12.122 351 HA LYS 51 HA LYS 51 4.073 5.247 14.280 352 1HB LYS 51 2HB LYS 51 2.811 7.108 12.523 353 2HB LYS 51 3HB LYS 51 1.654 5.838 12.862 354 1HG LYS 51 2HG LYS 51 1.869 6.151 15.259 355 2HG LYS 51 3HG LYS 51 3.276 7.179 15.068 356 1HD LYS 51 2HD LYS 51 1.525 8.728 15.441 357 2HD LYS 51 3HD LYS 51 1.723 8.762 13.701 358 1HE LYS 51 2HE LYS 51 -0.166 7.158 13.435 359 2HE LYS 51 3HE LYS 51 -0.347 7.064 15.176 360 1HZ LYS 51 1HZ LYS 51 -1.235 9.122 15.261 361 2HZ LYS 51 2HZ LYS 51 -0.408 9.698 13.976 362 3HZ LYS 51 3HZ LYS 51 -1.710 8.740 13.746 363 H ARG 52 HN ARG 52 2.313 4.612 11.174 364 HA ARG 52 HA ARG 52 2.989 1.980 10.975 365 1HB ARG 52 2HB ARG 52 0.920 0.845 11.859 366 2HB ARG 52 3HB ARG 52 1.881 1.575 13.129 367 1HG ARG 52 2HG ARG 52 -0.176 3.378 11.938 368 2HG ARG 52 3HG ARG 52 -0.826 1.989 12.785 369 1HD ARG 52 2HD ARG 52 1.383 3.313 14.257 370 2HD ARG 52 3HD ARG 52 0.010 4.367 13.983 371 HE ARG 52 HE ARG 52 -1.385 2.892 15.265 372 1HH1 ARG 52 1HH1 ARG 52 -0.259 0.422 17.458 373 2HH1 ARG 52 2HH1 ARG 52 -1.605 1.404 16.985 374 1HH2 ARG 52 1HH2 ARG 52 1.768 0.618 16.344 375 2HH2 ARG 52 2HH2 ARG 52 1.934 1.745 15.040 376 H CYS 53 HN CYS 53 1.860 0.970 9.164 377 HA CYS 53 HA CYS 53 -0.121 2.728 7.912 378 1HB CYS 53 2HB CYS 53 0.885 1.962 5.693 379 2HB CYS 53 3HB CYS 53 1.799 3.139 6.616 380 H GLU 54 HN GLU 54 -0.019 0.141 9.676 381 HA GLU 54 HA GLU 54 -0.616 -2.038 8.125 382 1HB GLU 54 2HB GLU 54 -1.481 -3.036 10.142 383 2HB GLU 54 3HB GLU 54 -0.148 -1.999 10.611 384 1HG GLU 54 2HG GLU 54 -2.377 -0.279 10.677 385 2HG GLU 54 3HG GLU 54 -3.006 -1.792 11.299 386 H THR 55 HN THR 55 -2.462 0.858 8.742 387 HA THR 55 HA THR 55 -5.063 -0.148 8.475 388 HB THR 55 HB THR 55 -3.796 2.308 8.946 389 HG1 THR 55 1HG THR 55 -6.201 2.915 8.893 390 1HG2 THR 55 1HG2 THR 55 -3.944 2.478 6.281 391 2HG2 THR 55 2HG2 THR 55 -5.673 2.746 6.608 392 3HG2 THR 55 3HG2 THR 55 -4.457 3.853 7.289 393 H ALA 56 HN ALA 56 -2.473 -0.005 6.201 394 HA ALA 56 HA ALA 56 -3.550 0.572 3.823 395 1HB ALA 56 1HB ALA 56 -2.071 -1.256 2.916 396 2HB ALA 56 2HB ALA 56 -1.263 -0.178 4.079 397 3HB ALA 56 3HB ALA 56 -1.799 -1.795 4.591 398 H CYS 57 HN CYS 57 -5.744 0.247 3.465 399 HA CYS 57 HA CYS 57 -7.570 -0.827 2.895 400 1HB CYS 57 2HB CYS 57 -5.460 -2.674 2.063 401 2HB CYS 57 3HB CYS 57 -6.952 -3.511 2.442 402 HA PRO 58 HA PRO 58 -8.736 -2.553 6.738 403 1HB PRO 58 2HB PRO 58 -11.414 -2.858 6.286 404 2HB PRO 58 3HB PRO 58 -10.691 -1.337 6.771 405 1HG PRO 58 2HG PRO 58 -11.686 -2.149 4.108 406 2HG PRO 58 3HG PRO 58 -11.362 -0.537 4.715 407 1HD PRO 58 2HD PRO 58 -9.722 -2.056 2.918 408 2HD PRO 58 3HD PRO 58 -9.344 -0.493 3.616 409 H THR 59 HN THR 59 -7.303 -4.343 5.430 410 HA THR 59 HA THR 59 -7.005 -6.539 5.233 411 HB THR 59 HB THR 59 -9.624 -7.013 6.710 412 HG1 THR 59 1HG THR 59 -8.599 -5.289 7.842 413 1HG2 THR 59 1HG2 THR 59 -7.442 -8.292 7.956 414 2HG2 THR 59 2HG2 THR 59 -8.633 -9.073 6.889 415 3HG2 THR 59 3HG2 THR 59 -7.102 -8.463 6.218 416 H ASP 60 HN ASP 60 -9.093 -8.625 4.987 417 HA ASP 60 HA ASP 60 -10.578 -9.404 3.555 418 1HB ASP 60 2HB ASP 60 -11.074 -6.742 3.167 419 2HB ASP 60 3HB ASP 60 -10.417 -7.141 1.593 420 H PHE 61 HN PHE 61 -7.955 -7.332 2.137 421 HA PHE 61 HA PHE 61 -7.481 -9.361 0.100 422 1HB PHE 61 2HB PHE 61 -7.224 -6.452 0.460 423 2HB PHE 61 3HB PHE 61 -5.670 -7.112 -0.008 424 HD1 PHE 61 1HD PHE 61 -5.756 -8.777 -2.066 425 HD2 PHE 61 2HD PHE 61 -8.716 -5.861 -1.203 426 HE1 PHE 61 1HE PHE 61 -6.496 -8.819 -4.464 427 HE2 PHE 61 2HE PHE 61 -9.455 -5.902 -3.601 428 HZ PHE 61 HZ PHE 61 -8.337 -7.380 -5.203 429 H LEU 62 HN LEU 62 -5.645 -7.395 2.550 430 HA LEU 62 HA LEU 62 -3.226 -8.657 2.270 431 1HB LEU 62 2HB LEU 62 -4.590 -7.282 4.564 432 2HB LEU 62 3HB LEU 62 -3.007 -8.005 4.769 433 HG LEU 62 HG LEU 62 -2.646 -6.508 2.487 434 1HD1 LEU 62 1HD1 LEU 62 -4.805 -5.451 2.604 435 2HD1 LEU 62 2HD1 LEU 62 -4.541 -4.995 4.304 436 3HD1 LEU 62 3HD1 LEU 62 -3.553 -4.255 3.020 437 1HD2 LEU 62 1HD2 LEU 62 -1.683 -6.605 5.140 438 2HD2 LEU 62 2HD2 LEU 62 -0.939 -5.822 3.724 439 3HD2 LEU 62 3HD2 LEU 62 -2.028 -4.895 4.784 440 H SER 63 HN SER 63 -2.434 -10.653 2.713 441 HA SER 63 HA SER 63 -4.285 -12.493 3.932 442 1HB SER 63 2HB SER 63 -1.558 -13.024 2.673 443 2HB SER 63 3HB SER 63 -2.740 -14.239 3.118 444 HG SER 63 HG SER 63 -2.756 -13.654 0.814 445 H ILE 64 HN ILE 64 -2.775 -10.329 5.463 446 HA ILE 64 HA ILE 64 -1.415 -10.085 7.219 447 HB ILE 64 HB ILE 64 -2.956 -12.559 8.008 448 1HG1 ILE 64 2HG1 ILE 64 -4.253 -10.607 9.250 449 2HG1 ILE 64 3HG1 ILE 64 -3.601 -9.633 7.946 450 1HG2 ILE 64 1HG2 ILE 64 -1.742 -10.518 9.875 451 2HG2 ILE 64 2HG2 ILE 64 -2.460 -12.098 10.267 452 3HG2 ILE 64 3HG2 ILE 64 -0.905 -12.018 9.405 453 1HD1 ILE 64 1HD1 ILE 64 -5.452 -10.350 6.806 454 2HD1 ILE 64 2HD1 ILE 64 -4.491 -11.824 6.536 455 3HD1 ILE 64 3HD1 ILE 64 -5.674 -11.763 7.865 456 H ARG 65 HN ARG 65 0.516 -10.511 5.835 457 HA ARG 65 HA ARG 65 1.609 -13.141 6.120 458 1HB ARG 65 2HB ARG 65 1.888 -10.995 4.260 459 2HB ARG 65 3HB ARG 65 3.461 -11.159 5.016 460 1HG ARG 65 2HG ARG 65 1.911 -13.523 3.863 461 2HG ARG 65 3HG ARG 65 3.085 -12.607 2.939 462 1HD ARG 65 2HD ARG 65 4.807 -13.747 3.887 463 2HD ARG 65 3HD ARG 65 4.262 -13.326 5.498 464 HE ARG 65 HE ARG 65 3.316 -15.452 5.695 465 1HH1 ARG 65 1HH1 ARG 65 2.702 -17.924 3.309 466 2HH1 ARG 65 2HH1 ARG 65 2.700 -17.540 4.998 467 1HH2 ARG 65 1HH2 ARG 65 3.330 -16.319 1.754 468 2HH2 ARG 65 2HH2 ARG 65 3.797 -14.737 2.283 469 H VAL 66 HN VAL 66 1.431 -10.373 8.028 470 HA VAL 66 HA VAL 66 2.554 -9.582 9.760 471 HB VAL 66 HB VAL 66 3.655 -12.397 9.763 472 1HG1 VAL 66 1HG1 VAL 66 3.853 -10.200 11.841 473 2HG1 VAL 66 2HG1 VAL 66 4.081 -11.925 12.218 474 3HG1 VAL 66 3HG1 VAL 66 5.175 -11.112 11.073 475 1HG2 VAL 66 1HG2 VAL 66 1.423 -12.727 10.144 476 2HG2 VAL 66 2HG2 VAL 66 1.942 -12.369 11.808 477 3HG2 VAL 66 3HG2 VAL 66 1.180 -11.098 10.821 478 H TYR 67 HN TYR 67 3.720 -7.949 8.688 479 HA TYR 67 HA TYR 67 6.536 -8.646 8.226 480 1HB TYR 67 2HB TYR 67 4.431 -7.728 6.417 481 2HB TYR 67 3HB TYR 67 5.575 -6.414 6.604 482 HD1 TYR 67 HD1 TYR 67 4.964 -9.668 5.122 483 HD2 TYR 67 HD2 TYR 67 7.992 -6.773 5.990 484 HE1 TYR 67 HE1 TYR 67 6.507 -10.764 3.425 485 HE2 TYR 67 HE2 TYR 67 9.526 -7.878 4.290 486 HH TYR 67 HH TYR 67 9.403 -10.695 3.318 487 H LEU 68 HN LEU 68 4.114 -5.993 8.743 488 HA LEU 68 HA LEU 68 5.753 -3.930 9.295 489 1HB LEU 68 2HB LEU 68 3.129 -4.773 10.490 490 2HB LEU 68 3HB LEU 68 3.925 -3.301 11.009 491 HG LEU 68 HG LEU 68 3.116 -3.919 8.155 492 1HD1 LEU 68 1HD1 LEU 68 1.765 -1.718 9.557 493 2HD1 LEU 68 2HD1 LEU 68 1.109 -2.987 8.495 494 3HD1 LEU 68 3HD1 LEU 68 1.410 -3.334 10.215 495 1HD2 LEU 68 1HD2 LEU 68 4.589 -1.657 9.431 496 2HD2 LEU 68 2HD2 LEU 68 4.803 -2.415 7.835 497 3HD2 LEU 68 3HD2 LEU 68 3.450 -1.292 8.113 498 H GLY 69 HN GLY 69 4.635 -6.396 11.720 499 1HA GLY 69 1HA GLY 69 6.616 -5.428 13.621 500 2HA GLY 69 2HA GLY 69 5.383 -6.646 13.882 501 H ALA 70 HN ALA 70 8.275 -6.135 11.727 502 HA ALA 70 HA ALA 70 9.506 -8.503 12.724 503 1HB ALA 70 1HB ALA 70 9.070 -10.005 11.070 504 2HB ALA 70 2HB ALA 70 7.609 -9.017 10.826 505 3HB ALA 70 3HB ALA 70 9.041 -8.755 9.802 506 H GLU 71 HN GLU 71 9.273 -6.239 9.894 507 HA GLU 71 HA GLU 71 11.752 -6.266 8.992 508 1HB GLU 71 2HB GLU 71 9.778 -4.030 9.396 509 2HB GLU 71 3HB GLU 71 11.389 -3.603 8.853 510 1HG GLU 71 2HG GLU 71 11.094 -5.452 7.047 511 2HG GLU 71 3HG GLU 71 9.397 -5.457 7.486 512 H THR 72 HN THR 72 10.833 -3.754 11.462 513 HA THR 72 HA THR 72 13.277 -4.349 12.927 514 HB THR 72 HB THR 72 13.923 -1.902 12.807 515 HG1 THR 72 1HG THR 72 11.922 -1.992 10.666 516 1HG2 THR 72 1HG2 THR 72 13.561 -3.129 10.024 517 2HG2 THR 72 2HG2 THR 72 14.746 -1.885 10.492 518 3HG2 THR 72 3HG2 THR 72 14.901 -3.543 11.120 519 H THR 73 HN THR 73 10.620 -4.977 13.600 520 HA THR 73 HA THR 73 9.833 -2.862 15.460 521 HB THR 73 HB THR 73 8.550 -5.221 14.097 522 HG1 THR 73 1HG THR 73 7.769 -2.560 15.065 523 1HG2 THR 73 1HG2 THR 73 7.368 -3.957 16.614 524 2HG2 THR 73 2HG2 THR 73 6.721 -5.324 15.675 525 3HG2 THR 73 3HG2 THR 73 8.197 -5.533 16.648 526 H ARG 74 HN ARG 74 10.410 -6.447 15.523 527 HA ARG 74 HA ARG 74 10.860 -6.158 18.357 528 1HB ARG 74 2HB ARG 74 10.655 -8.635 16.572 529 2HB ARG 74 3HB ARG 74 10.892 -8.698 18.308 530 1HG ARG 74 2HG ARG 74 8.633 -8.649 18.521 531 2HG ARG 74 3HG ARG 74 8.698 -6.969 18.028 532 1HD ARG 74 2HD ARG 74 7.891 -7.417 15.918 533 2HD ARG 74 3HD ARG 74 8.827 -8.890 15.758 534 HE ARG 74 HE ARG 74 7.005 -10.112 16.575 535 1HH1 ARG 74 1HH1 ARG 74 3.985 -9.041 17.959 536 2HH1 ARG 74 2HH1 ARG 74 4.878 -10.399 17.359 537 1HH2 ARG 74 1HH2 ARG 74 4.950 -6.929 17.964 538 2HH2 ARG 74 2HH2 ARG 74 6.561 -6.712 17.369 539 H SER 75 HN SER 75 12.534 -6.633 15.296 540 HA SER 75 HA SER 75 14.901 -7.603 16.611 541 1HB SER 75 2HB SER 75 13.804 -7.865 14.019 542 2HB SER 75 3HB SER 75 15.221 -6.859 13.793 543 HG SER 75 HG SER 75 15.622 -9.211 13.669 544 H MET 76 HN MET 76 13.398 -4.612 15.742 545 HA MET 76 HA MET 76 14.062 -2.538 15.622 546 1HB MET 76 2HB MET 76 15.524 -3.812 17.854 547 2HB MET 76 3HB MET 76 16.390 -2.413 17.250 548 1HG MET 76 2HG MET 76 13.439 -2.043 17.614 549 2HG MET 76 3HG MET 76 14.360 -2.265 19.089 550 1HE MET 76 1HE MET 76 16.412 -1.257 19.591 551 2HE MET 76 2HE MET 76 17.349 -0.448 18.311 552 3HE MET 76 3HE MET 76 16.550 0.518 19.575 553 H GLY 77 HN GLY 77 17.419 -3.685 16.249 554 1HA GLY 77 1HA GLY 77 18.146 -3.352 13.448 555 2HA GLY 77 2HA GLY 77 18.809 -2.175 14.563 556 H LEU 78 HN LEU 78 19.143 -3.832 16.895 557 HA LEU 78 HA LEU 78 21.332 -5.517 15.920 558 1HB LEU 78 2HB LEU 78 22.307 -3.989 17.299 559 2HB LEU 78 3HB LEU 78 20.895 -3.822 18.321 560 HG LEU 78 HG LEU 78 23.048 -4.957 19.241 561 1HD1 LEU 78 1HD1 LEU 78 20.196 -5.778 19.657 562 2HD1 LEU 78 2HD1 LEU 78 21.494 -6.634 20.523 563 3HD1 LEU 78 3HD1 LEU 78 21.297 -4.878 20.728 564 1HD2 LEU 78 1HD2 LEU 78 22.077 -7.603 18.632 565 2HD2 LEU 78 2HD2 LEU 78 22.481 -6.730 17.133 566 3HD2 LEU 78 3HD2 LEU 78 23.702 -6.909 18.416 567 H ALA 79 HN ALA 79 18.447 -5.401 18.069 568 HA ALA 79 HA ALA 79 18.539 -7.724 19.370 569 1HB ALA 79 1HB ALA 79 16.423 -6.060 18.145 570 2HB ALA 79 2HB ALA 79 15.942 -7.747 18.450 571 3HB ALA 79 3HB ALA 79 16.540 -6.736 19.788 572 H TYR 80 HN TYR 80 18.216 -7.290 15.849 573 HA TYR 80 HA TYR 80 17.353 -9.864 15.208 574 1HB TYR 80 2HB TYR 80 17.787 -9.021 13.036 575 2HB TYR 80 3HB TYR 80 17.830 -7.509 13.921 576 HD1 TYR 80 HD1 TYR 80 20.208 -6.828 14.880 577 HD2 TYR 80 HD2 TYR 80 19.587 -9.582 11.666 578 HE1 TYR 80 HE1 TYR 80 22.585 -6.428 14.069 579 HE2 TYR 80 HE2 TYR 80 21.966 -9.174 10.867 580 HH TYR 80 HH TYR 80 23.661 -7.580 11.009 Start of MODEL 22 1 H SER 1 HN SER 1 -4.206 -5.042 11.049 2 HA SER 1 HA SER 1 -5.281 -5.438 8.636 3 1HB SER 1 2HB SER 1 -3.725 -3.933 7.174 4 2HB SER 1 3HB SER 1 -5.182 -3.228 7.848 5 HG SER 1 HG SER 1 -2.551 -2.540 8.291 6 H HIS 2 HN HIS 2 -4.229 -7.393 9.621 7 HA HIS 2 HA HIS 2 -1.721 -7.843 10.264 8 1HB HIS 2 2HB HIS 2 -2.324 -9.945 8.458 9 2HB HIS 2 3HB HIS 2 -2.469 -9.927 10.205 10 HD1 HIS 2 HD1 HIS 2 -4.820 -9.816 11.209 11 HD2 HIS 2 HD2 HIS 2 -4.767 -9.278 7.050 12 HE1 HIS 2 HE1 HIS 2 -7.253 -9.903 10.446 13 H SER 3 HN SER 3 0.255 -7.347 9.468 14 HA SER 3 HA SER 3 1.728 -6.527 8.064 15 1HB SER 3 2HB SER 3 2.561 -8.150 6.593 16 2HB SER 3 3HB SER 3 1.593 -9.116 7.688 17 HG SER 3 HG SER 3 -0.152 -9.061 6.128 18 H VAL 4 HN VAL 4 1.759 -6.838 5.074 19 HA VAL 4 HA VAL 4 -0.542 -5.745 3.940 20 HB VAL 4 HB VAL 4 -0.055 -3.815 5.332 21 1HG1 VAL 4 1HG1 VAL 4 2.493 -4.356 5.329 22 2HG1 VAL 4 2HG1 VAL 4 2.532 -3.352 3.858 23 3HG1 VAL 4 3HG1 VAL 4 1.966 -2.657 5.396 24 1HG2 VAL 4 1HG2 VAL 4 0.767 -2.506 2.900 25 2HG2 VAL 4 2HG2 VAL 4 -0.384 -3.809 2.522 26 3HG2 VAL 4 3HG2 VAL 4 -0.831 -2.534 3.681 27 H LYS 5 HN LYS 5 3.043 -5.965 4.003 28 HA LYS 5 HA LYS 5 4.525 -6.154 2.342 29 1HB LYS 5 2HB LYS 5 3.181 -8.430 2.688 30 2HB LYS 5 3HB LYS 5 2.731 -8.147 1.019 31 1HG LYS 5 2HG LYS 5 5.423 -7.606 0.890 32 2HG LYS 5 3HG LYS 5 5.409 -8.791 2.181 33 1HD LYS 5 2HD LYS 5 3.752 -10.064 0.443 34 2HD LYS 5 3HD LYS 5 4.672 -9.122 -0.714 35 1HE LYS 5 2HE LYS 5 6.796 -10.010 0.512 36 2HE LYS 5 3HE LYS 5 5.727 -11.166 1.282 37 1HZ LYS 5 1HZ LYS 5 5.503 -12.293 -0.606 38 2HZ LYS 5 2HZ LYS 5 5.402 -10.966 -1.554 39 3HZ LYS 5 3HZ LYS 5 6.863 -11.526 -1.087 40 H ILE 6 HN ILE 6 4.218 -6.865 -0.428 41 HA ILE 6 HA ILE 6 2.995 -4.372 -1.370 42 HB ILE 6 HB ILE 6 5.271 -6.042 -2.430 43 1HG1 ILE 6 2HG1 ILE 6 6.293 -3.601 -2.236 44 2HG1 ILE 6 3HG1 ILE 6 5.024 -3.398 -1.044 45 1HG2 ILE 6 1HG2 ILE 6 5.221 -3.826 -4.020 46 2HG2 ILE 6 2HG2 ILE 6 4.570 -5.422 -4.468 47 3HG2 ILE 6 3HG2 ILE 6 3.483 -4.166 -3.830 48 1HD1 ILE 6 1HD1 ILE 6 5.826 -5.309 0.247 49 2HD1 ILE 6 2HD1 ILE 6 7.001 -5.723 -1.024 50 3HD1 ILE 6 3HD1 ILE 6 7.204 -4.230 -0.077 51 H TYR 7 HN TYR 7 0.985 -5.929 -0.950 52 HA TYR 7 HA TYR 7 0.605 -7.702 -3.235 53 1HB TYR 7 2HB TYR 7 -0.872 -6.994 -0.630 54 2HB TYR 7 3HB TYR 7 -1.583 -8.071 -1.815 55 HD1 TYR 7 HD1 TYR 7 0.531 -9.829 -2.660 56 HD2 TYR 7 HD2 TYR 7 -0.190 -8.198 1.228 57 HE1 TYR 7 HE1 TYR 7 1.754 -11.791 -1.603 58 HE2 TYR 7 HE2 TYR 7 1.036 -10.166 2.273 59 HH TYR 7 HH TYR 7 1.719 -12.961 0.591 60 H ASP 8 HN ASP 8 -1.770 -7.640 -4.143 61 HA ASP 8 HA ASP 8 -2.090 -4.979 -5.120 62 1HB ASP 8 2HB ASP 8 -3.647 -5.957 -6.692 63 2HB ASP 8 3HB ASP 8 -2.291 -7.057 -6.551 64 H THR 9 HN THR 9 -2.605 -4.998 -2.362 65 HA THR 9 HA THR 9 -5.462 -5.347 -1.968 66 HB THR 9 HB THR 9 -4.001 -6.136 -0.193 67 HG1 THR 9 1HG THR 9 -5.857 -4.924 0.543 68 1HG2 THR 9 1HG2 THR 9 -1.952 -5.128 0.038 69 2HG2 THR 9 2HG2 THR 9 -2.493 -3.679 -0.843 70 3HG2 THR 9 3HG2 THR 9 -2.815 -3.833 0.901 71 H CYS 10 HN CYS 10 -6.509 -3.814 -3.217 72 HA CYS 10 HA CYS 10 -6.471 -1.198 -2.071 73 1HB CYS 10 2HB CYS 10 -4.573 -1.225 -3.816 74 2HB CYS 10 3HB CYS 10 -5.837 -1.329 -5.025 75 H ILE 11 HN ILE 11 -8.480 -0.130 -2.518 76 HA ILE 11 HA ILE 11 -10.338 -1.739 -4.129 77 HB ILE 11 HB ILE 11 -12.105 -0.951 -2.613 78 1HG1 ILE 11 2HG1 ILE 11 -10.709 -0.216 -0.300 79 2HG1 ILE 11 3HG1 ILE 11 -9.948 0.709 -1.580 80 1HG2 ILE 11 1HG2 ILE 11 -10.185 -2.959 -2.183 81 2HG2 ILE 11 2HG2 ILE 11 -10.465 -2.201 -0.597 82 3HG2 ILE 11 3HG2 ILE 11 -11.835 -2.863 -1.521 83 1HD1 ILE 11 1HD1 ILE 11 -12.953 0.571 -1.588 84 2HD1 ILE 11 2HD1 ILE 11 -12.171 1.576 -0.345 85 3HD1 ILE 11 3HD1 ILE 11 -11.879 1.905 -2.070 86 H GLY 12 HN GLY 12 -9.143 1.495 -3.171 87 1HA GLY 12 1HA GLY 12 -9.269 2.766 -5.508 88 2HA GLY 12 2HA GLY 12 -10.952 2.821 -5.024 89 H CYS 13 HN CYS 13 -9.999 2.765 -2.054 90 HA CYS 13 HA CYS 13 -10.193 5.484 -1.612 91 1HB CYS 13 2HB CYS 13 -10.483 4.773 0.479 92 2HB CYS 13 3HB CYS 13 -10.095 3.146 -0.043 93 H THR 14 HN THR 14 -8.340 6.689 -0.249 94 HA THR 14 HA THR 14 -5.855 6.349 -1.792 95 HB THR 14 HB THR 14 -7.201 8.490 -2.088 96 HG1 THR 14 1HG THR 14 -4.634 8.501 -0.664 97 1HG2 THR 14 1HG2 THR 14 -6.742 8.545 0.895 98 2HG2 THR 14 2HG2 THR 14 -6.554 10.075 0.005 99 3HG2 THR 14 3HG2 THR 14 -8.104 9.199 -0.047 100 H GLN 15 HN GLN 15 -7.332 6.340 1.401 101 HA GLN 15 HA GLN 15 -5.399 6.966 3.074 102 1HB GLN 15 2HB GLN 15 -6.605 5.794 4.625 103 2HB GLN 15 3HB GLN 15 -7.738 5.598 3.302 104 1HG GLN 15 2HG GLN 15 -6.341 3.461 2.694 105 2HG GLN 15 3HG GLN 15 -5.662 3.614 4.302 106 1HE2 GLN 15 1HE2 GLN 15 -6.719 1.441 4.373 107 2HE2 GLN 15 2HE2 GLN 15 -8.352 1.344 4.943 108 H CYS 16 HN CYS 16 -3.584 5.887 4.141 109 HA CYS 16 HA CYS 16 -1.935 4.392 4.330 110 1HB CYS 16 2HB CYS 16 -2.033 2.312 3.457 111 2HB CYS 16 3HB CYS 16 -3.662 2.777 3.013 112 H VAL 17 HN VAL 17 -2.785 5.390 0.945 113 HA VAL 17 HA VAL 17 -0.029 5.746 0.248 114 HB VAL 17 HB VAL 17 -2.476 6.719 -1.225 115 1HG1 VAL 17 1HG1 VAL 17 -0.768 7.532 -2.485 116 2HG1 VAL 17 2HG1 VAL 17 0.405 6.348 -1.861 117 3HG1 VAL 17 3HG1 VAL 17 -0.755 5.869 -3.122 118 1HG2 VAL 17 1HG2 VAL 17 -2.226 4.454 -2.449 119 2HG2 VAL 17 2HG2 VAL 17 -1.345 3.929 -0.993 120 3HG2 VAL 17 3HG2 VAL 17 -3.035 4.474 -0.863 121 H ARG 18 HN ARG 18 -2.175 7.448 2.207 122 HA ARG 18 HA ARG 18 -0.844 9.945 1.520 123 1HB ARG 18 2HB ARG 18 -3.637 9.339 1.886 124 2HB ARG 18 3HB ARG 18 -3.158 10.372 3.218 125 1HG ARG 18 2HG ARG 18 -3.862 11.828 1.421 126 2HG ARG 18 3HG ARG 18 -2.118 11.966 1.533 127 1HD ARG 18 2HD ARG 18 -2.507 9.811 -0.246 128 2HD ARG 18 3HD ARG 18 -3.767 10.947 -0.686 129 HE ARG 18 HE ARG 18 -0.884 11.325 -1.014 130 1HH1 ARG 18 1HH1 ARG 18 -1.252 14.563 -2.263 131 2HH1 ARG 18 2HH1 ARG 18 -0.167 13.229 -2.055 132 1HH2 ARG 18 1HH2 ARG 18 -3.434 14.417 -1.484 133 2HH2 ARG 18 2HH2 ARG 18 -3.977 12.974 -0.696 134 H ALA 19 HN ALA 19 -2.332 8.043 4.242 135 HA ALA 19 HA ALA 19 -1.532 9.410 6.396 136 1HB ALA 19 1HB ALA 19 -1.861 6.520 5.734 137 2HB ALA 19 2HB ALA 19 -1.021 6.897 7.257 138 3HB ALA 19 3HB ALA 19 -2.669 7.508 6.973 139 H CYS 20 HN CYS 20 0.532 6.971 4.657 140 HA CYS 20 HA CYS 20 2.766 7.090 6.105 141 1HB CYS 20 2HB CYS 20 2.428 5.732 4.042 142 2HB CYS 20 3HB CYS 20 2.710 7.162 3.070 143 HA PRO 21 HA PRO 21 3.675 11.406 5.863 144 1HB PRO 21 2HB PRO 21 5.564 11.462 7.837 145 2HB PRO 21 3HB PRO 21 3.847 11.620 8.149 146 1HG PRO 21 2HG PRO 21 5.609 9.291 8.612 147 2HG PRO 21 3HG PRO 21 4.028 9.624 9.291 148 1HD PRO 21 2HD PRO 21 4.635 7.780 7.180 149 2HD PRO 21 3HD PRO 21 3.043 8.198 7.780 150 H LEU 22 HN LEU 22 6.367 9.152 6.276 151 HA LEU 22 HA LEU 22 8.340 10.634 5.186 152 1HB LEU 22 2HB LEU 22 7.729 7.698 5.081 153 2HB LEU 22 3HB LEU 22 9.148 8.339 4.279 154 HG LEU 22 HG LEU 22 8.902 9.269 7.049 155 1HD1 LEU 22 1HD1 LEU 22 7.908 6.814 6.914 156 2HD1 LEU 22 2HD1 LEU 22 9.635 6.380 6.883 157 3HD1 LEU 22 3HD1 LEU 22 8.979 7.326 8.240 158 1HD2 LEU 22 1HD2 LEU 22 11.244 7.688 6.407 159 2HD2 LEU 22 2HD2 LEU 22 10.902 8.886 5.135 160 3HD2 LEU 22 3HD2 LEU 22 11.107 9.414 6.822 161 H ASP 23 HN ASP 23 7.214 8.040 3.013 162 HA ASP 23 HA ASP 23 5.896 9.494 1.157 163 1HB ASP 23 2HB ASP 23 7.900 9.638 -0.577 164 2HB ASP 23 3HB ASP 23 7.617 10.946 0.553 165 H VAL 24 HN VAL 24 5.634 6.934 2.055 166 HA VAL 24 HA VAL 24 6.881 5.242 0.005 167 HB VAL 24 HB VAL 24 5.629 4.377 2.612 168 1HG1 VAL 24 1HG1 VAL 24 5.762 2.485 1.278 169 2HG1 VAL 24 2HG1 VAL 24 7.241 3.036 0.455 170 3HG1 VAL 24 3HG1 VAL 24 7.324 2.437 2.130 171 1HG2 VAL 24 1HG2 VAL 24 8.505 4.198 2.634 172 2HG2 VAL 24 2HG2 VAL 24 8.011 5.877 2.304 173 3HG2 VAL 24 3HG2 VAL 24 7.419 5.045 3.762 174 H LEU 25 HN LEU 25 5.354 3.232 -0.477 175 HA LEU 25 HA LEU 25 3.473 2.480 -1.356 176 1HB LEU 25 2HB LEU 25 2.010 4.592 0.228 177 2HB LEU 25 3HB LEU 25 1.337 3.130 -0.467 178 HG LEU 25 HG LEU 25 3.429 2.261 1.213 179 1HD1 LEU 25 1HD1 LEU 25 3.153 3.288 3.300 180 2HD1 LEU 25 2HD1 LEU 25 3.250 4.639 2.146 181 3HD1 LEU 25 3HD1 LEU 25 1.671 4.135 2.794 182 1HD2 LEU 25 1HD2 LEU 25 0.879 1.536 0.647 183 2HD2 LEU 25 2HD2 LEU 25 1.839 0.868 1.989 184 3HD2 LEU 25 3HD2 LEU 25 0.678 2.183 2.294 185 H GLU 26 HN GLU 26 4.244 3.137 -3.438 186 HA GLU 26 HA GLU 26 3.045 5.632 -4.350 187 1HB GLU 26 2HB GLU 26 5.291 4.080 -5.701 188 2HB GLU 26 3HB GLU 26 4.762 5.709 -6.068 189 1HG GLU 26 2HG GLU 26 5.318 6.087 -3.452 190 2HG GLU 26 3HG GLU 26 6.379 4.720 -3.727 191 H MET 27 HN MET 27 3.347 4.980 -7.192 192 HA MET 27 HA MET 27 1.055 3.233 -7.376 193 1HB MET 27 2HB MET 27 1.123 4.099 -9.818 194 2HB MET 27 3HB MET 27 0.836 5.317 -8.591 195 1HG MET 27 2HG MET 27 2.812 6.390 -9.026 196 2HG MET 27 3HG MET 27 3.718 4.892 -9.087 197 1HE MET 27 1HE MET 27 1.570 7.024 -12.515 198 2HE MET 27 2HE MET 27 0.551 6.130 -11.361 199 3HE MET 27 3HE MET 27 1.593 7.453 -10.787 200 H VAL 28 HN VAL 28 1.052 1.228 -8.403 201 HA VAL 28 HA VAL 28 3.564 0.435 -9.691 202 HB VAL 28 HB VAL 28 3.485 -1.699 -8.593 203 1HG1 VAL 28 1HG1 VAL 28 3.614 0.810 -7.026 204 2HG1 VAL 28 2HG1 VAL 28 3.438 -0.680 -6.071 205 3HG1 VAL 28 3HG1 VAL 28 4.803 -0.503 -7.198 206 1HG2 VAL 28 1HG2 VAL 28 0.779 -1.199 -8.235 207 2HG2 VAL 28 2HG2 VAL 28 1.695 -2.570 -7.563 208 3HG2 VAL 28 3HG2 VAL 28 1.441 -1.104 -6.586 209 HA PRO 29 HA PRO 29 0.965 -1.199 -12.732 210 1HB PRO 29 2HB PRO 29 2.310 -3.401 -13.632 211 2HB PRO 29 3HB PRO 29 2.732 -1.765 -14.096 212 1HG PRO 29 2HG PRO 29 4.109 -3.568 -12.201 213 2HG PRO 29 3HG PRO 29 4.724 -2.130 -12.991 214 1HD PRO 29 2HD PRO 29 3.862 -2.355 -10.264 215 2HD PRO 29 3HD PRO 29 4.366 -0.891 -11.087 216 H TRP 30 HN TRP 30 -1.048 -1.844 -12.316 217 HA TRP 30 HA TRP 30 -1.222 -4.570 -11.239 218 1HB TRP 30 2HB TRP 30 -1.611 -3.040 -9.404 219 2HB TRP 30 3HB TRP 30 -2.798 -2.152 -10.341 220 HD1 TRP 30 HD1 TRP 30 -5.224 -2.813 -9.667 221 HE1 TRP 30 HE1 TRP 30 -6.530 -4.913 -8.747 222 HE3 TRP 30 HE3 TRP 30 -1.206 -5.928 -9.575 223 HZ2 TRP 30 HZ2 TRP 30 -5.754 -7.581 -8.098 224 HZ3 TRP 30 HZ3 TRP 30 -1.566 -8.264 -8.785 225 HH2 TRP 30 HH2 TRP 30 -3.745 -9.105 -8.063 226 H ASP 31 HN ASP 31 -3.690 -5.301 -11.571 227 HA ASP 31 HA ASP 31 -4.649 -4.175 -14.065 228 1HB ASP 31 2HB ASP 31 -3.212 -6.440 -14.180 229 2HB ASP 31 3HB ASP 31 -4.720 -7.169 -13.660 230 H GLY 32 HN GLY 32 -5.971 -3.347 -11.964 231 1HA GLY 32 1HA GLY 32 -8.416 -4.912 -11.889 232 2HA GLY 32 2HA GLY 32 -7.572 -4.766 -10.360 233 H CYS 33 HN CYS 33 -6.432 -2.069 -10.964 234 HA CYS 33 HA CYS 33 -8.681 -0.574 -10.076 235 1HB CYS 33 2HB CYS 33 -5.818 -0.284 -10.066 236 2HB CYS 33 3HB CYS 33 -6.530 1.167 -10.744 237 HG CYS 33 HG CYS 33 -7.972 -0.263 -8.178 238 H LYS 34 HN LYS 34 -9.136 1.652 -11.215 239 HA LYS 34 HA LYS 34 -10.004 1.102 -13.823 240 1HB LYS 34 2HB LYS 34 -10.596 2.949 -11.873 241 2HB LYS 34 3HB LYS 34 -9.774 3.938 -13.062 242 1HG LYS 34 2HG LYS 34 -11.904 1.972 -13.957 243 2HG LYS 34 3HG LYS 34 -12.378 3.516 -13.277 244 1HD LYS 34 2HD LYS 34 -10.251 3.588 -15.394 245 2HD LYS 34 3HD LYS 34 -11.865 3.160 -15.926 246 1HE LYS 34 2HE LYS 34 -11.846 5.520 -16.121 247 2HE LYS 34 3HE LYS 34 -12.669 5.257 -14.596 248 1HZ LYS 34 1HZ LYS 34 -10.812 6.918 -14.621 249 2HZ LYS 34 2HZ LYS 34 -10.760 5.812 -13.422 250 3HZ LYS 34 3HZ LYS 34 -9.772 5.663 -14.713 251 H ALA 35 HN ALA 35 -6.979 2.303 -12.486 252 HA ALA 35 HA ALA 35 -6.105 2.966 -15.213 253 1HB ALA 35 1HB ALA 35 -4.196 3.999 -13.533 254 2HB ALA 35 2HB ALA 35 -5.589 4.913 -14.160 255 3HB ALA 35 3HB ALA 35 -5.665 4.171 -12.543 256 H GLY 36 HN GLY 36 -6.377 0.275 -13.735 257 1HA GLY 36 1HA GLY 36 -5.133 -1.564 -13.290 258 2HA GLY 36 2HA GLY 36 -4.335 -1.123 -14.786 259 H GLN 37 HN GLN 37 -4.338 0.361 -11.464 260 HA GLN 37 HA GLN 37 -1.561 -0.334 -11.215 261 1HB GLN 37 2HB GLN 37 -0.914 2.045 -10.684 262 2HB GLN 37 3HB GLN 37 -1.329 1.780 -12.366 263 1HG GLN 37 2HG GLN 37 -2.859 3.444 -12.195 264 2HG GLN 37 3HG GLN 37 -3.792 2.421 -11.120 265 1HE2 GLN 37 1HE2 GLN 37 -4.061 2.995 -9.084 266 2HE2 GLN 37 2HE2 GLN 37 -3.235 4.269 -8.252 267 H ILE 38 HN ILE 38 -1.283 -1.078 -9.157 268 HA ILE 38 HA ILE 38 -3.282 -0.280 -7.184 269 HB ILE 38 HB ILE 38 -2.752 -2.704 -7.815 270 1HG1 ILE 38 2HG1 ILE 38 -2.584 -3.045 -5.062 271 2HG1 ILE 38 3HG1 ILE 38 -3.292 -1.451 -5.225 272 1HG2 ILE 38 1HG2 ILE 38 -0.393 -2.753 -7.832 273 2HG2 ILE 38 2HG2 ILE 38 -0.283 -2.002 -6.222 274 3HG2 ILE 38 3HG2 ILE 38 -0.888 -3.668 -6.387 275 1HD1 ILE 38 1HD1 ILE 38 -4.968 -3.365 -5.193 276 2HD1 ILE 38 2HD1 ILE 38 -5.099 -2.294 -6.609 277 3HD1 ILE 38 3HD1 ILE 38 -4.308 -3.881 -6.764 278 H ALA 39 HN ALA 39 -2.673 0.498 -5.093 279 HA ALA 39 HA ALA 39 -0.209 2.012 -5.194 280 1HB ALA 39 1HB ALA 39 -2.732 2.000 -3.557 281 2HB ALA 39 2HB ALA 39 -1.268 2.750 -2.875 282 3HB ALA 39 3HB ALA 39 -1.940 3.344 -4.413 283 H SER 40 HN SER 40 1.636 0.950 -4.641 284 HA SER 40 HA SER 40 1.543 -0.505 -2.140 285 1HB SER 40 2HB SER 40 2.205 -1.634 -4.828 286 2HB SER 40 3HB SER 40 3.291 -2.085 -3.529 287 HG SER 40 HG SER 40 1.632 -3.084 -2.417 288 H SER 41 HN SER 41 4.157 -1.303 -1.880 289 HA SER 41 HA SER 41 5.596 1.199 -2.299 290 1HB SER 41 2HB SER 41 5.066 0.562 0.099 291 2HB SER 41 3HB SER 41 6.062 -0.866 -0.104 292 HG SER 41 HG SER 41 7.579 1.161 -0.956 293 HA PRO 42 HA PRO 42 7.881 -1.811 -4.711 294 1HB PRO 42 2HB PRO 42 8.653 -0.105 -6.701 295 2HB PRO 42 3HB PRO 42 7.178 -1.049 -6.767 296 1HG PRO 42 2HG PRO 42 7.506 1.839 -6.230 297 2HG PRO 42 3HG PRO 42 6.064 0.970 -6.716 298 1HD PRO 42 2HD PRO 42 6.685 1.929 -4.086 299 2HD PRO 42 3HD PRO 42 5.301 0.960 -4.547 300 H ARG 43 HN ARG 43 9.111 1.506 -4.568 301 HA ARG 43 HA ARG 43 11.702 0.376 -4.068 302 1HB ARG 43 2HB ARG 43 10.927 3.329 -4.216 303 2HB ARG 43 3HB ARG 43 12.536 2.658 -4.389 304 1HG ARG 43 2HG ARG 43 10.325 1.775 -6.270 305 2HG ARG 43 3HG ARG 43 11.146 3.299 -6.546 306 1HD ARG 43 2HD ARG 43 12.627 1.994 -7.729 307 2HD ARG 43 3HD ARG 43 13.322 1.690 -6.150 308 HE ARG 43 HE ARG 43 12.396 -0.487 -6.156 309 1HH1 ARG 43 1HH1 ARG 43 10.641 -2.097 -8.706 310 2HH1 ARG 43 2HH1 ARG 43 11.473 -2.298 -7.200 311 1HH2 ARG 43 1HH2 ARG 43 10.464 0.010 -9.662 312 2HH2 ARG 43 2HH2 ARG 43 11.163 1.382 -8.869 313 H THR 44 HN THR 44 11.245 -0.503 -1.900 314 HA THR 44 HA THR 44 10.523 1.405 0.165 315 HB THR 44 HB THR 44 11.236 -1.569 0.329 316 HG1 THR 44 1HG THR 44 9.362 -1.589 -0.873 317 1HG2 THR 44 1HG2 THR 44 10.671 0.309 2.364 318 2HG2 THR 44 2HG2 THR 44 9.107 -0.482 2.049 319 3HG2 THR 44 3HG2 THR 44 10.522 -1.459 2.504 320 H GLU 45 HN GLU 45 12.994 1.924 -1.313 321 HA GLU 45 HA GLU 45 15.184 1.012 0.108 322 1HB GLU 45 2HB GLU 45 16.425 2.757 -1.036 323 2HB GLU 45 3HB GLU 45 15.232 2.115 -2.149 324 1HG GLU 45 2HG GLU 45 13.766 4.018 -1.827 325 2HG GLU 45 3HG GLU 45 14.682 4.580 -0.442 326 H ASP 46 HN ASP 46 12.673 3.221 0.990 327 HA ASP 46 HA ASP 46 14.391 4.348 3.054 328 1HB ASP 46 2HB ASP 46 12.735 5.656 1.286 329 2HB ASP 46 3HB ASP 46 11.635 5.430 2.631 330 H CYS 47 HN CYS 47 11.880 5.239 4.536 331 HA CYS 47 HA CYS 47 10.432 4.523 6.027 332 1HB CYS 47 2HB CYS 47 9.268 3.251 4.354 333 2HB CYS 47 3HB CYS 47 10.453 1.962 4.408 334 H VAL 48 HN VAL 48 10.938 4.060 8.159 335 HA VAL 48 HA VAL 48 12.961 1.986 8.616 336 HB VAL 48 HB VAL 48 14.049 4.152 8.690 337 1HG1 VAL 48 1HG1 VAL 48 12.105 4.907 10.895 338 2HG1 VAL 48 2HG1 VAL 48 13.415 5.908 10.223 339 3HG1 VAL 48 3HG1 VAL 48 12.008 5.490 9.216 340 1HG2 VAL 48 1HG2 VAL 48 13.800 2.387 11.025 341 2HG2 VAL 48 2HG2 VAL 48 15.252 3.030 10.220 342 3HG2 VAL 48 3HG2 VAL 48 14.390 4.018 11.424 343 H GLY 49 HN GLY 49 10.458 1.140 8.728 344 1HA GLY 49 1HA GLY 49 8.810 0.339 10.035 345 2HA GLY 49 2HA GLY 49 10.044 0.219 11.274 346 H CYS 50 HN CYS 50 8.020 2.789 9.676 347 HA CYS 50 HA CYS 50 7.865 4.102 12.274 348 1HB CYS 50 2HB CYS 50 7.922 6.050 11.178 349 2HB CYS 50 3HB CYS 50 8.353 5.136 9.747 350 H LYS 51 HN LYS 51 6.023 3.766 13.472 351 HA LYS 51 HA LYS 51 3.864 2.295 12.352 352 1HB LYS 51 2HB LYS 51 4.901 2.742 14.894 353 2HB LYS 51 3HB LYS 51 3.363 3.580 14.931 354 1HG LYS 51 2HG LYS 51 2.137 1.639 14.738 355 2HG LYS 51 3HG LYS 51 3.272 0.906 13.621 356 1HD LYS 51 2HD LYS 51 4.868 0.559 15.575 357 2HD LYS 51 3HD LYS 51 3.610 1.141 16.647 358 1HE LYS 51 2HE LYS 51 3.209 -1.156 16.753 359 2HE LYS 51 3HE LYS 51 2.122 -0.714 15.452 360 1HZ LYS 51 1HZ LYS 51 3.723 -2.622 15.088 361 2HZ LYS 51 2HZ LYS 51 3.579 -1.528 13.885 362 3HZ LYS 51 3HZ LYS 51 4.878 -1.488 14.874 363 H ARG 52 HN ARG 52 3.061 3.529 10.591 364 HA ARG 52 HA ARG 52 1.472 5.767 11.519 365 1HB ARG 52 2HB ARG 52 3.500 5.747 9.276 366 2HB ARG 52 3HB ARG 52 2.053 6.712 9.061 367 1HG ARG 52 2HG ARG 52 3.719 6.930 11.598 368 2HG ARG 52 3HG ARG 52 4.140 7.841 10.162 369 1HD ARG 52 2HD ARG 52 1.632 8.630 10.180 370 2HD ARG 52 3HD ARG 52 1.606 8.040 11.830 371 HE ARG 52 HE ARG 52 3.874 9.814 11.227 372 1HH1 ARG 52 1HH1 ARG 52 2.571 12.390 13.187 373 2HH1 ARG 52 2HH1 ARG 52 3.961 11.813 12.331 374 1HH2 ARG 52 1HH2 ARG 52 0.620 11.134 13.212 375 2HH2 ARG 52 2HH2 ARG 52 0.554 9.618 12.375 376 H CYS 53 HN CYS 53 2.239 3.401 8.888 377 HA CYS 53 HA CYS 53 -0.325 3.716 7.682 378 1HB CYS 53 2HB CYS 53 0.409 1.778 6.274 379 2HB CYS 53 3HB CYS 53 1.494 3.153 6.236 380 H GLU 54 HN GLU 54 -1.068 3.342 10.196 381 HA GLU 54 HA GLU 54 -1.292 0.514 10.719 382 1HB GLU 54 2HB GLU 54 -2.002 3.003 12.318 383 2HB GLU 54 3HB GLU 54 -2.450 1.396 12.854 384 1HG GLU 54 2HG GLU 54 -0.288 0.826 13.409 385 2HG GLU 54 3HG GLU 54 0.400 1.659 12.029 386 H THR 55 HN THR 55 -2.631 1.371 8.356 387 HA THR 55 HA THR 55 -5.384 0.790 9.148 388 HB THR 55 HB THR 55 -4.562 3.390 8.545 389 HG1 THR 55 1HG THR 55 -7.028 1.866 8.085 390 1HG2 THR 55 1HG2 THR 55 -4.224 2.893 6.144 391 2HG2 THR 55 2HG2 THR 55 -5.799 2.068 6.073 392 3HG2 THR 55 3HG2 THR 55 -5.726 3.825 6.344 393 H ALA 56 HN ALA 56 -3.078 1.284 6.398 394 HA ALA 56 HA ALA 56 -2.861 0.199 4.478 395 1HB ALA 56 1HB ALA 56 -3.199 -2.365 4.700 396 2HB ALA 56 2HB ALA 56 -1.981 -1.590 5.741 397 3HB ALA 56 3HB ALA 56 -3.574 -2.024 6.407 398 H CYS 57 HN CYS 57 -5.134 -2.356 4.922 399 HA CYS 57 HA CYS 57 -7.244 -0.807 3.640 400 1HB CYS 57 2HB CYS 57 -5.577 -2.570 2.210 401 2HB CYS 57 3HB CYS 57 -7.067 -3.456 2.463 402 HA PRO 58 HA PRO 58 -9.673 -3.219 6.332 403 1HB PRO 58 2HB PRO 58 -12.103 -3.251 5.080 404 2HB PRO 58 3HB PRO 58 -11.523 -1.885 6.012 405 1HG PRO 58 2HG PRO 58 -11.700 -2.184 3.077 406 2HG PRO 58 3HG PRO 58 -11.536 -0.718 4.023 407 1HD PRO 58 2HD PRO 58 -9.470 -2.043 2.539 408 2HD PRO 58 3HD PRO 58 -9.282 -0.644 3.578 409 H THR 59 HN THR 59 -7.964 -4.889 5.258 410 HA THR 59 HA THR 59 -7.673 -7.043 4.785 411 HB THR 59 HB THR 59 -10.608 -7.651 5.184 412 HG1 THR 59 1HG THR 59 -10.086 -7.280 7.525 413 1HG2 THR 59 1HG2 THR 59 -8.706 -9.417 5.054 414 2HG2 THR 59 2HG2 THR 59 -8.136 -8.750 6.602 415 3HG2 THR 59 3HG2 THR 59 -9.750 -9.491 6.494 416 H ASP 60 HN ASP 60 -9.799 -8.822 3.564 417 HA ASP 60 HA ASP 60 -10.796 -9.167 1.618 418 1HB ASP 60 2HB ASP 60 -10.773 -6.456 1.477 419 2HB ASP 60 3HB ASP 60 -9.589 -6.786 0.227 420 H PHE 61 HN PHE 61 -7.504 -7.726 1.758 421 HA PHE 61 HA PHE 61 -6.610 -9.817 -0.096 422 1HB PHE 61 2HB PHE 61 -5.783 -6.875 0.246 423 2HB PHE 61 3HB PHE 61 -4.843 -8.006 -0.707 424 HD1 PHE 61 1HD PHE 61 -7.671 -5.800 -0.669 425 HD2 PHE 61 2HD PHE 61 -5.922 -9.068 -2.736 426 HE1 PHE 61 1HE PHE 61 -9.094 -5.294 -2.674 427 HE2 PHE 61 2HE PHE 61 -7.345 -8.561 -4.741 428 HZ PHE 61 HZ PHE 61 -8.914 -6.680 -4.686 429 H LEU 62 HN LEU 62 -5.076 -7.282 2.010 430 HA LEU 62 HA LEU 62 -2.920 -8.824 2.743 431 1HB LEU 62 2HB LEU 62 -2.499 -7.198 4.401 432 2HB LEU 62 3HB LEU 62 -3.171 -6.378 3.005 433 HG LEU 62 HG LEU 62 -5.409 -6.900 4.569 434 1HD1 LEU 62 1HD1 LEU 62 -3.906 -7.590 6.419 435 2HD1 LEU 62 2HD1 LEU 62 -3.189 -5.961 6.403 436 3HD1 LEU 62 3HD1 LEU 62 -4.908 -6.172 6.811 437 1HD2 LEU 62 1HD2 LEU 62 -5.176 -4.879 3.360 438 2HD2 LEU 62 2HD2 LEU 62 -5.263 -4.426 5.080 439 3HD2 LEU 62 3HD2 LEU 62 -3.693 -4.434 4.239 440 H SER 63 HN SER 63 -2.768 -10.703 3.831 441 HA SER 63 HA SER 63 -3.718 -11.159 6.294 442 1HB SER 63 2HB SER 63 -5.905 -11.290 4.431 443 2HB SER 63 3HB SER 63 -5.596 -12.922 4.987 444 HG SER 63 HG SER 63 -6.971 -11.084 6.279 445 H ILE 64 HN ILE 64 -1.439 -11.713 4.721 446 HA ILE 64 HA ILE 64 -1.497 -14.646 4.722 447 HB ILE 64 HB ILE 64 -0.317 -12.794 2.660 448 1HG1 ILE 64 2HG1 ILE 64 -1.701 -15.039 1.578 449 2HG1 ILE 64 3HG1 ILE 64 -2.718 -14.352 2.828 450 1HG2 ILE 64 1HG2 ILE 64 1.357 -14.496 3.347 451 2HG2 ILE 64 2HG2 ILE 64 0.192 -15.770 2.913 452 3HG2 ILE 64 3HG2 ILE 64 0.815 -14.669 1.661 453 1HD1 ILE 64 1HD1 ILE 64 -2.858 -13.377 0.391 454 2HD1 ILE 64 2HD1 ILE 64 -2.851 -12.249 1.768 455 3HD1 ILE 64 3HD1 ILE 64 -1.361 -12.520 0.833 456 H ARG 65 HN ARG 65 0.765 -11.802 4.539 457 HA ARG 65 HA ARG 65 2.598 -13.280 6.169 458 1HB ARG 65 2HB ARG 65 2.689 -10.906 4.398 459 2HB ARG 65 3HB ARG 65 3.637 -10.689 5.856 460 1HG ARG 65 2HG ARG 65 3.895 -13.278 4.306 461 2HG ARG 65 3HG ARG 65 4.708 -11.844 3.710 462 1HD ARG 65 2HD ARG 65 6.033 -11.625 5.710 463 2HD ARG 65 3HD ARG 65 5.014 -12.735 6.606 464 HE ARG 65 HE ARG 65 6.063 -14.122 4.335 465 1HH1 ARG 65 1HH1 ARG 65 8.853 -15.472 5.939 466 2HH1 ARG 65 2HH1 ARG 65 7.812 -15.577 4.560 467 1HH2 ARG 65 1HH2 ARG 65 8.474 -13.854 7.559 468 2HH2 ARG 65 2HH2 ARG 65 7.149 -12.751 7.389 469 H VAL 66 HN VAL 66 3.747 -11.871 8.008 470 HA VAL 66 HA VAL 66 1.730 -10.258 9.389 471 HB VAL 66 HB VAL 66 3.295 -12.595 10.490 472 1HG1 VAL 66 1HG1 VAL 66 1.927 -10.313 11.901 473 2HG1 VAL 66 2HG1 VAL 66 1.998 -11.925 12.650 474 3HG1 VAL 66 3HG1 VAL 66 3.503 -11.070 12.235 475 1HG2 VAL 66 1HG2 VAL 66 1.105 -13.001 9.280 476 2HG2 VAL 66 2HG2 VAL 66 1.178 -13.583 10.960 477 3HG2 VAL 66 3HG2 VAL 66 0.311 -12.077 10.578 478 H TYR 67 HN TYR 67 2.701 -8.273 9.162 479 HA TYR 67 HA TYR 67 5.525 -8.132 9.980 480 1HB TYR 67 2HB TYR 67 3.757 -6.913 7.859 481 2HB TYR 67 3HB TYR 67 4.865 -5.786 8.617 482 HD1 TYR 67 HD1 TYR 67 7.269 -7.458 9.046 483 HD2 TYR 67 HD2 TYR 67 4.599 -7.272 5.708 484 HE1 TYR 67 HE1 TYR 67 9.128 -8.257 7.505 485 HE2 TYR 67 HE2 TYR 67 6.466 -8.069 4.179 486 HH TYR 67 HH TYR 67 8.532 -8.663 4.022 487 H LEU 68 HN LEU 68 2.623 -5.950 9.714 488 HA LEU 68 HA LEU 68 3.355 -4.121 11.568 489 1HB LEU 68 2HB LEU 68 0.613 -5.219 10.947 490 2HB LEU 68 3HB LEU 68 0.895 -3.789 11.920 491 HG LEU 68 HG LEU 68 1.682 -4.138 9.014 492 1HD1 LEU 68 1HD1 LEU 68 -0.376 -2.208 10.060 493 2HD1 LEU 68 2HD1 LEU 68 -0.136 -2.822 8.406 494 3HD1 LEU 68 3HD1 LEU 68 -0.805 -3.890 9.664 495 1HD2 LEU 68 1HD2 LEU 68 1.858 -1.477 9.466 496 2HD2 LEU 68 2HD2 LEU 68 2.387 -2.105 11.045 497 3HD2 LEU 68 3HD2 LEU 68 3.236 -2.601 9.560 498 H GLY 69 HN GLY 69 4.006 -4.260 13.640 499 1HA GLY 69 1HA GLY 69 3.947 -4.821 15.833 500 2HA GLY 69 2HA GLY 69 2.493 -5.757 15.558 501 H ALA 70 HN ALA 70 6.004 -5.862 14.595 502 HA ALA 70 HA ALA 70 6.460 -8.313 15.870 503 1HB ALA 70 1HB ALA 70 4.971 -9.191 14.104 504 2HB ALA 70 2HB ALA 70 6.025 -8.477 12.860 505 3HB ALA 70 3HB ALA 70 6.637 -9.785 13.901 506 H GLU 71 HN GLU 71 7.229 -6.139 13.095 507 HA GLU 71 HA GLU 71 9.800 -6.759 12.680 508 1HB GLU 71 2HB GLU 71 10.022 -4.125 12.333 509 2HB GLU 71 3HB GLU 71 9.040 -5.099 11.257 510 1HG GLU 71 2HG GLU 71 7.103 -4.107 11.945 511 2HG GLU 71 3HG GLU 71 7.527 -4.255 13.639 512 H THR 72 HN THR 72 8.396 -5.353 15.573 513 HA THR 72 HA THR 72 10.935 -4.374 16.561 514 HB THR 72 HB THR 72 9.357 -3.984 18.622 515 HG1 THR 72 1HG THR 72 7.643 -5.382 18.064 516 1HG2 THR 72 1HG2 THR 72 9.130 -2.717 15.890 517 2HG2 THR 72 2HG2 THR 72 7.877 -2.324 17.090 518 3HG2 THR 72 3HG2 THR 72 9.586 -1.972 17.440 519 H THR 73 HN THR 73 10.984 -7.142 15.807 520 HA THR 73 HA THR 73 11.422 -8.296 18.480 521 HB THR 73 HB THR 73 10.050 -9.451 16.014 522 HG1 THR 73 1HG THR 73 8.504 -9.862 17.751 523 1HG2 THR 73 1HG2 THR 73 11.379 -10.889 18.357 524 2HG2 THR 73 2HG2 THR 73 9.995 -11.594 17.486 525 3HG2 THR 73 3HG2 THR 73 11.518 -11.267 16.623 526 H ARG 74 HN ARG 74 12.338 -8.169 15.007 527 HA ARG 74 HA ARG 74 14.929 -9.174 15.880 528 1HB ARG 74 2HB ARG 74 15.214 -10.093 13.572 529 2HB ARG 74 3HB ARG 74 13.818 -10.787 14.370 530 1HG ARG 74 2HG ARG 74 12.768 -10.224 12.400 531 2HG ARG 74 3HG ARG 74 12.592 -8.671 13.191 532 1HD ARG 74 2HD ARG 74 13.497 -8.289 10.954 533 2HD ARG 74 3HD ARG 74 14.749 -7.911 12.120 534 HE ARG 74 HE ARG 74 15.300 -10.530 11.614 535 1HH1 ARG 74 1HH1 ARG 74 16.685 -10.510 8.411 536 2HH1 ARG 74 2HH1 ARG 74 16.562 -11.375 9.906 537 1HH2 ARG 74 1HH2 ARG 74 15.568 -8.494 8.142 538 2HH2 ARG 74 2HH2 ARG 74 14.611 -7.854 9.437 539 H SER 75 HN SER 75 13.048 -6.858 13.912 540 HA SER 75 HA SER 75 15.443 -5.627 12.924 541 1HB SER 75 2HB SER 75 13.625 -5.680 11.367 542 2HB SER 75 3HB SER 75 12.474 -5.108 12.559 543 HG SER 75 HG SER 75 14.715 -3.523 11.644 544 H MET 76 HN MET 76 14.027 -5.693 15.883 545 HA MET 76 HA MET 76 14.077 -2.844 16.337 546 1HB MET 76 2HB MET 76 12.668 -5.079 17.418 547 2HB MET 76 3HB MET 76 13.731 -4.559 18.710 548 1HG MET 76 2HG MET 76 12.237 -2.399 17.243 549 2HG MET 76 3HG MET 76 11.291 -3.442 18.286 550 1HE MET 76 1HE MET 76 12.571 -3.813 21.227 551 2HE MET 76 2HE MET 76 11.724 -2.295 21.608 552 3HE MET 76 3HE MET 76 11.046 -3.414 20.400 553 H GLY 77 HN GLY 77 16.180 -5.584 16.510 554 1HA GLY 77 1HA GLY 77 17.850 -4.401 18.609 555 2HA GLY 77 2HA GLY 77 18.001 -6.000 17.908 556 H LEU 78 HN LEU 78 17.405 -3.360 15.668 557 HA LEU 78 HA LEU 78 20.165 -3.633 14.744 558 1HB LEU 78 2HB LEU 78 18.041 -2.257 13.170 559 2HB LEU 78 3HB LEU 78 19.430 -3.173 12.623 560 HG LEU 78 HG LEU 78 16.727 -4.133 13.476 561 1HD1 LEU 78 1HD1 LEU 78 16.566 -4.753 11.349 562 2HD1 LEU 78 2HD1 LEU 78 18.103 -3.903 11.055 563 3HD1 LEU 78 3HD1 LEU 78 18.106 -5.645 11.425 564 1HD2 LEU 78 1HD2 LEU 78 18.033 -6.492 13.366 565 2HD2 LEU 78 2HD2 LEU 78 19.284 -5.479 14.123 566 3HD2 LEU 78 3HD2 LEU 78 17.678 -5.622 14.878 567 H ALA 79 HN ALA 79 17.618 -1.175 15.504 568 HA ALA 79 HA ALA 79 19.788 0.649 16.210 569 1HB ALA 79 1HB ALA 79 17.639 2.107 14.944 570 2HB ALA 79 2HB ALA 79 19.364 2.049 14.505 571 3HB ALA 79 3HB ALA 79 18.234 0.848 13.835 572 H TYR 80 HN TYR 80 16.179 0.223 16.039 573 HA TYR 80 HA TYR 80 15.306 1.882 17.913 574 1HB TYR 80 2HB TYR 80 14.732 -1.144 17.772 575 2HB TYR 80 3HB TYR 80 13.613 0.062 18.376 576 HD1 TYR 80 HD1 TYR 80 12.414 1.556 16.837 577 HD2 TYR 80 HD2 TYR 80 15.103 -1.433 15.373 578 HE1 TYR 80 HE1 TYR 80 11.445 1.817 14.501 579 HE2 TYR 80 HE2 TYR 80 14.125 -1.161 13.043 580 HH TYR 80 HH TYR 80 11.655 1.297 12.400 Start of MODEL 23 1 H SER 1 HN SER 1 -3.011 -3.224 11.880 2 HA SER 1 HA SER 1 -4.078 -3.020 9.256 3 1HB SER 1 2HB SER 1 -1.533 -1.443 9.784 4 2HB SER 1 3HB SER 1 -2.493 -1.472 8.318 5 HG SER 1 HG SER 1 -3.363 0.308 9.157 6 H HIS 2 HN HIS 2 -3.461 -5.311 10.549 7 HA HIS 2 HA HIS 2 -0.903 -6.182 10.710 8 1HB HIS 2 2HB HIS 2 -3.073 -7.942 9.587 9 2HB HIS 2 3HB HIS 2 -1.761 -8.368 10.668 10 HD1 HIS 2 HD1 HIS 2 -1.988 -6.739 13.080 11 HD2 HIS 2 HD2 HIS 2 -5.418 -7.892 10.959 12 HE1 HIS 2 HE1 HIS 2 -3.934 -6.569 14.720 13 H SER 3 HN SER 3 0.709 -6.893 9.321 14 HA SER 3 HA SER 3 1.849 -7.042 7.480 15 1HB SER 3 2HB SER 3 -0.136 -7.680 5.485 16 2HB SER 3 3HB SER 3 1.052 -8.737 6.220 17 HG SER 3 HG SER 3 -1.375 -9.209 6.497 18 H VAL 4 HN VAL 4 2.234 -6.075 5.226 19 HA VAL 4 HA VAL 4 0.518 -4.167 4.151 20 HB VAL 4 HB VAL 4 1.302 -3.178 6.463 21 1HG1 VAL 4 1HG1 VAL 4 3.777 -3.533 5.464 22 2HG1 VAL 4 2HG1 VAL 4 3.460 -1.883 4.875 23 3HG1 VAL 4 3HG1 VAL 4 3.369 -2.239 6.616 24 1HG2 VAL 4 1HG2 VAL 4 1.617 -1.077 4.446 25 2HG2 VAL 4 2HG2 VAL 4 0.228 -2.142 4.130 26 3HG2 VAL 4 3HG2 VAL 4 0.362 -1.294 5.689 27 H LYS 5 HN LYS 5 2.165 -6.379 3.336 28 HA LYS 5 HA LYS 5 4.580 -5.345 2.227 29 1HB LYS 5 2HB LYS 5 3.298 -7.910 2.582 30 2HB LYS 5 3HB LYS 5 3.845 -7.747 0.926 31 1HG LYS 5 2HG LYS 5 5.768 -6.798 3.013 32 2HG LYS 5 3HG LYS 5 5.464 -8.524 2.998 33 1HD LYS 5 2HD LYS 5 6.228 -6.930 0.507 34 2HD LYS 5 3HD LYS 5 7.396 -7.759 1.517 35 1HE LYS 5 2HE LYS 5 5.988 -9.902 1.147 36 2HE LYS 5 3HE LYS 5 5.127 -9.008 -0.090 37 1HZ LYS 5 1HZ LYS 5 6.905 -9.027 -1.433 38 2HZ LYS 5 2HZ LYS 5 8.005 -8.918 -0.229 39 3HZ LYS 5 3HZ LYS 5 7.314 -10.357 -0.577 40 H ILE 6 HN ILE 6 4.554 -6.381 -0.403 41 HA ILE 6 HA ILE 6 2.981 -4.304 -1.663 42 HB ILE 6 HB ILE 6 5.170 -6.149 -2.594 43 1HG1 ILE 6 2HG1 ILE 6 5.857 -3.500 -3.082 44 2HG1 ILE 6 3HG1 ILE 6 5.020 -3.422 -1.544 45 1HG2 ILE 6 1HG2 ILE 6 3.183 -4.656 -4.181 46 2HG2 ILE 6 2HG2 ILE 6 4.881 -4.375 -4.638 47 3HG2 ILE 6 3HG2 ILE 6 4.223 -6.029 -4.627 48 1HD1 ILE 6 1HD1 ILE 6 7.456 -5.099 -2.259 49 2HD1 ILE 6 2HD1 ILE 6 7.304 -3.859 -0.990 50 3HD1 ILE 6 3HD1 ILE 6 6.480 -5.427 -0.807 51 H TYR 7 HN TYR 7 0.829 -5.041 -1.468 52 HA TYR 7 HA TYR 7 0.287 -7.482 -3.023 53 1HB TYR 7 2HB TYR 7 -1.217 -6.152 -0.682 54 2HB TYR 7 3HB TYR 7 -1.701 -7.650 -1.451 55 HD1 TYR 7 HD1 TYR 7 -0.483 -6.560 1.477 56 HD2 TYR 7 HD2 TYR 7 0.673 -9.259 -1.636 57 HE1 TYR 7 HE1 TYR 7 0.934 -7.873 3.131 58 HE2 TYR 7 HE2 TYR 7 2.084 -10.563 0.029 59 HH TYR 7 HH TYR 7 2.332 -9.494 3.409 60 H ASP 8 HN ASP 8 -1.662 -7.478 -4.320 61 HA ASP 8 HA ASP 8 -2.179 -4.857 -5.336 62 1HB ASP 8 2HB ASP 8 -3.584 -6.125 -7.013 63 2HB ASP 8 3HB ASP 8 -1.911 -6.642 -6.952 64 H THR 9 HN THR 9 -3.100 -5.040 -2.684 65 HA THR 9 HA THR 9 -5.965 -5.627 -2.868 66 HB THR 9 HB THR 9 -4.582 -6.650 -1.028 67 HG1 THR 9 1HG THR 9 -6.895 -5.862 -0.838 68 1HG2 THR 9 1HG2 THR 9 -3.162 -4.366 -0.856 69 2HG2 THR 9 2HG2 THR 9 -4.466 -3.922 0.272 70 3HG2 THR 9 3HG2 THR 9 -3.468 -5.360 0.588 71 H CYS 10 HN CYS 10 -6.745 -3.889 -4.078 72 HA CYS 10 HA CYS 10 -7.088 -1.525 -2.512 73 1HB CYS 10 2HB CYS 10 -4.836 -1.257 -3.773 74 2HB CYS 10 3HB CYS 10 -5.816 -1.084 -5.215 75 H ILE 11 HN ILE 11 -9.195 -0.892 -2.888 76 HA ILE 11 HA ILE 11 -10.493 -2.038 -5.240 77 HB ILE 11 HB ILE 11 -12.461 -2.028 -4.073 78 1HG1 ILE 11 2HG1 ILE 11 -12.133 0.483 -3.485 79 2HG1 ILE 11 3HG1 ILE 11 -13.190 -0.508 -2.499 80 1HG2 ILE 11 1HG2 ILE 11 -10.299 -2.355 -1.977 81 2HG2 ILE 11 2HG2 ILE 11 -11.992 -2.867 -1.782 82 3HG2 ILE 11 3HG2 ILE 11 -10.975 -3.614 -3.037 83 1HD1 ILE 11 1HD1 ILE 11 -11.215 -0.922 -0.937 84 2HD1 ILE 11 2HD1 ILE 11 -10.315 0.293 -1.876 85 3HD1 ILE 11 3HD1 ILE 11 -11.787 0.763 -0.991 86 H GLY 12 HN GLY 12 -8.782 0.669 -4.523 87 1HA GLY 12 1HA GLY 12 -8.767 2.355 -6.256 88 2HA GLY 12 2HA GLY 12 -10.519 2.352 -6.225 89 H CYS 13 HN CYS 13 -9.560 1.888 -3.036 90 HA CYS 13 HA CYS 13 -10.165 4.631 -2.427 91 1HB CYS 13 2HB CYS 13 -11.188 3.572 -0.743 92 2HB CYS 13 3HB CYS 13 -10.331 2.076 -1.052 93 H THR 14 HN THR 14 -8.722 5.935 -0.991 94 HA THR 14 HA THR 14 -5.911 5.083 -1.130 95 HB THR 14 HB THR 14 -5.405 7.512 -1.693 96 HG1 THR 14 1HG THR 14 -7.410 8.659 -2.424 97 1HG2 THR 14 1HG2 THR 14 -7.251 5.945 -3.561 98 2HG2 THR 14 2HG2 THR 14 -6.479 7.477 -4.036 99 3HG2 THR 14 3HG2 THR 14 -5.476 6.060 -3.642 100 H GLN 15 HN GLN 15 -6.807 4.322 1.096 101 HA GLN 15 HA GLN 15 -6.852 6.563 2.930 102 1HB GLN 15 2HB GLN 15 -7.660 4.935 4.590 103 2HB GLN 15 3HB GLN 15 -8.636 4.857 3.136 104 1HG GLN 15 2HG GLN 15 -7.293 2.892 2.347 105 2HG GLN 15 3HG GLN 15 -6.331 2.966 3.811 106 1HE2 GLN 15 1HE2 GLN 15 -7.126 0.723 3.938 107 2HE2 GLN 15 2HE2 GLN 15 -8.623 0.405 4.750 108 H CYS 16 HN CYS 16 -5.077 3.501 2.212 109 HA CYS 16 HA CYS 16 -3.155 4.120 4.275 110 1HB CYS 16 2HB CYS 16 -2.306 1.955 3.975 111 2HB CYS 16 3HB CYS 16 -4.035 1.769 3.757 112 H VAL 17 HN VAL 17 -3.642 5.852 1.804 113 HA VAL 17 HA VAL 17 -0.906 5.697 0.744 114 HB VAL 17 HB VAL 17 -3.256 6.765 -0.798 115 1HG1 VAL 17 1HG1 VAL 17 -0.457 6.609 -1.243 116 2HG1 VAL 17 2HG1 VAL 17 -1.227 5.458 -2.359 117 3HG1 VAL 17 3HG1 VAL 17 -1.722 7.168 -2.364 118 1HG2 VAL 17 1HG2 VAL 17 -4.083 4.630 -0.534 119 2HG2 VAL 17 2HG2 VAL 17 -3.052 4.407 -1.968 120 3HG2 VAL 17 3HG2 VAL 17 -2.467 3.903 -0.363 121 H ARG 18 HN ARG 18 -2.329 7.145 3.088 122 HA ARG 18 HA ARG 18 -1.564 9.809 2.194 123 1HB ARG 18 2HB ARG 18 -4.006 8.857 3.519 124 2HB ARG 18 3HB ARG 18 -3.226 10.096 4.482 125 1HG ARG 18 2HG ARG 18 -4.630 11.334 3.027 126 2HG ARG 18 3HG ARG 18 -3.051 11.468 2.278 127 1HD ARG 18 2HD ARG 18 -4.185 9.071 1.230 128 2HD ARG 18 3HD ARG 18 -5.486 10.245 1.219 129 HE ARG 18 HE ARG 18 -2.917 11.246 0.175 130 1HH1 ARG 18 1HH1 ARG 18 -4.173 11.450 -3.075 131 2HH1 ARG 18 2HH1 ARG 18 -2.866 11.877 -2.021 132 1HH2 ARG 18 1HH2 ARG 18 -5.975 10.237 -2.256 133 2HH2 ARG 18 2HH2 ARG 18 -6.013 9.759 -0.591 134 H ALA 19 HN ALA 19 -1.808 7.477 4.950 135 HA ALA 19 HA ALA 19 -0.167 9.073 6.657 136 1HB ALA 19 1HB ALA 19 -1.583 7.749 7.898 137 2HB ALA 19 2HB ALA 19 -1.538 6.410 6.725 138 3HB ALA 19 3HB ALA 19 -0.174 6.662 7.841 139 H CYS 20 HN CYS 20 1.717 9.485 5.335 140 HA CYS 20 HA CYS 20 3.781 7.696 5.791 141 1HB CYS 20 2HB CYS 20 2.602 6.348 4.023 142 2HB CYS 20 3HB CYS 20 2.902 7.649 2.886 143 HA PRO 21 HA PRO 21 5.023 11.872 4.850 144 1HB PRO 21 2HB PRO 21 7.082 11.999 6.643 145 2HB PRO 21 3HB PRO 21 5.434 12.440 7.044 146 1HG PRO 21 2HG PRO 21 6.935 10.004 7.787 147 2HG PRO 21 3HG PRO 21 5.476 10.657 8.507 148 1HD PRO 21 2HD PRO 21 5.655 8.421 6.720 149 2HD PRO 21 3HD PRO 21 4.189 9.146 7.348 150 H LEU 22 HN LEU 22 7.285 9.214 5.308 151 HA LEU 22 HA LEU 22 9.315 10.331 3.763 152 1HB LEU 22 2HB LEU 22 8.616 7.452 4.349 153 2HB LEU 22 3HB LEU 22 10.104 7.972 3.583 154 HG LEU 22 HG LEU 22 9.902 9.499 5.947 155 1HD1 LEU 22 1HD1 LEU 22 9.652 7.855 7.712 156 2HD1 LEU 22 2HD1 LEU 22 8.175 7.917 6.721 157 3HD1 LEU 22 3HD1 LEU 22 9.329 6.577 6.516 158 1HD2 LEU 22 1HD2 LEU 22 12.053 8.970 5.904 159 2HD2 LEU 22 2HD2 LEU 22 11.667 7.282 6.318 160 3HD2 LEU 22 3HD2 LEU 22 11.735 7.788 4.613 161 H ASP 23 HN ASP 23 8.157 7.276 2.474 162 HA ASP 23 HA ASP 23 6.539 8.168 0.466 163 1HB ASP 23 2HB ASP 23 8.946 9.257 -0.063 164 2HB ASP 23 3HB ASP 23 9.262 7.672 -0.738 165 H VAL 24 HN VAL 24 5.816 6.024 1.404 166 HA VAL 24 HA VAL 24 7.351 3.779 0.290 167 HB VAL 24 HB VAL 24 5.640 4.052 2.757 168 1HG1 VAL 24 1HG1 VAL 24 6.144 1.562 3.062 169 2HG1 VAL 24 2HG1 VAL 24 4.894 1.992 1.869 170 3HG1 VAL 24 3HG1 VAL 24 6.528 1.539 1.325 171 1HG2 VAL 24 1HG2 VAL 24 7.567 3.641 3.978 172 2HG2 VAL 24 2HG2 VAL 24 8.381 2.822 2.623 173 3HG2 VAL 24 3HG2 VAL 24 8.201 4.593 2.614 174 H LEU 25 HN LEU 25 3.966 4.010 1.521 175 HA LEU 25 HA LEU 25 2.914 2.442 -0.488 176 1HB LEU 25 2HB LEU 25 1.498 4.595 1.087 177 2HB LEU 25 3HB LEU 25 0.755 3.233 0.272 178 HG LEU 25 HG LEU 25 2.741 2.244 2.102 179 1HD1 LEU 25 1HD1 LEU 25 2.367 4.456 3.219 180 2HD1 LEU 25 2HD1 LEU 25 0.664 3.989 3.443 181 3HD1 LEU 25 3HD1 LEU 25 1.956 3.038 4.213 182 1HD2 LEU 25 1HD2 LEU 25 -0.166 1.923 1.556 183 2HD2 LEU 25 2HD2 LEU 25 1.130 0.707 1.666 184 3HD2 LEU 25 3HD2 LEU 25 0.431 1.400 3.149 185 H GLU 26 HN GLU 26 3.634 2.985 -2.564 186 HA GLU 26 HA GLU 26 2.629 5.564 -3.489 187 1HB GLU 26 2HB GLU 26 5.103 4.033 -4.401 188 2HB GLU 26 3HB GLU 26 4.478 5.450 -5.220 189 1HG GLU 26 2HG GLU 26 5.184 5.468 -2.254 190 2HG GLU 26 3HG GLU 26 6.361 5.844 -3.495 191 H MET 27 HN MET 27 2.873 5.207 -6.251 192 HA MET 27 HA MET 27 0.800 3.249 -6.647 193 1HB MET 27 2HB MET 27 0.642 4.357 -8.910 194 2HB MET 27 3HB MET 27 0.529 5.521 -7.605 195 1HG MET 27 2HG MET 27 2.341 6.633 -8.400 196 2HG MET 27 3HG MET 27 3.327 5.192 -8.238 197 1HE MET 27 1HE MET 27 1.185 7.214 -11.356 198 2HE MET 27 2HE MET 27 2.273 7.750 -10.052 199 3HE MET 27 3HE MET 27 2.929 7.393 -11.668 200 H VAL 28 HN VAL 28 1.037 1.316 -7.745 201 HA VAL 28 HA VAL 28 3.628 0.892 -9.063 202 HB VAL 28 HB VAL 28 3.921 -1.141 -8.049 203 1HG1 VAL 28 1HG1 VAL 28 2.406 -0.102 -5.705 204 2HG1 VAL 28 2HG1 VAL 28 4.097 -0.644 -5.834 205 3HG1 VAL 28 3HG1 VAL 28 3.636 0.976 -6.410 206 1HG2 VAL 28 1HG2 VAL 28 1.714 -1.951 -6.602 207 2HG2 VAL 28 2HG2 VAL 28 0.986 -1.245 -8.064 208 3HG2 VAL 28 3HG2 VAL 28 2.183 -2.554 -8.210 209 HA PRO 29 HA PRO 29 1.333 -0.716 -12.358 210 1HB PRO 29 2HB PRO 29 2.719 -2.911 -13.212 211 2HB PRO 29 3HB PRO 29 3.204 -1.269 -13.581 212 1HG PRO 29 2HG PRO 29 4.382 -3.156 -11.635 213 2HG PRO 29 3HG PRO 29 5.086 -1.705 -12.319 214 1HD PRO 29 2HD PRO 29 3.983 -2.003 -9.687 215 2HD PRO 29 3HD PRO 29 4.580 -0.523 -10.412 216 H TRP 30 HN TRP 30 -0.714 -1.357 -12.187 217 HA TRP 30 HA TRP 30 -1.031 -4.123 -11.274 218 1HB TRP 30 2HB TRP 30 -1.461 -2.732 -9.340 219 2HB TRP 30 3HB TRP 30 -2.573 -1.733 -10.255 220 HD1 TRP 30 HD1 TRP 30 -5.048 -2.362 -9.748 221 HE1 TRP 30 HE1 TRP 30 -6.460 -4.485 -9.065 222 HE3 TRP 30 HE3 TRP 30 -1.134 -5.609 -9.727 223 HZ2 TRP 30 HZ2 TRP 30 -5.795 -7.222 -8.603 224 HZ3 TRP 30 HZ3 TRP 30 -1.602 -7.988 -9.149 225 HH2 TRP 30 HH2 TRP 30 -3.836 -8.810 -8.599 226 H ASP 31 HN ASP 31 -3.503 -4.734 -11.776 227 HA ASP 31 HA ASP 31 -4.315 -3.371 -14.202 228 1HB ASP 31 2HB ASP 31 -2.913 -5.620 -14.500 229 2HB ASP 31 3HB ASP 31 -4.423 -6.394 -14.060 230 H GLY 32 HN GLY 32 -5.725 -2.704 -12.108 231 1HA GLY 32 1HA GLY 32 -8.195 -4.217 -12.281 232 2HA GLY 32 2HA GLY 32 -7.421 -4.232 -10.709 233 H CYS 33 HN CYS 33 -6.203 -1.513 -11.030 234 HA CYS 33 HA CYS 33 -8.458 -0.055 -10.092 235 1HB CYS 33 2HB CYS 33 -5.658 0.112 -9.797 236 2HB CYS 33 3HB CYS 33 -6.127 1.593 -10.606 237 HG CYS 33 HG CYS 33 -6.182 0.967 -7.652 238 H LYS 34 HN LYS 34 -8.750 2.315 -11.044 239 HA LYS 34 HA LYS 34 -9.560 2.005 -13.720 240 1HB LYS 34 2HB LYS 34 -10.174 3.692 -11.632 241 2HB LYS 34 3HB LYS 34 -9.292 4.757 -12.708 242 1HG LYS 34 2HG LYS 34 -11.345 2.940 -13.953 243 2HG LYS 34 3HG LYS 34 -11.940 4.282 -12.995 244 1HD LYS 34 2HD LYS 34 -11.491 5.741 -14.670 245 2HD LYS 34 3HD LYS 34 -9.806 5.259 -14.689 246 1HE LYS 34 2HE LYS 34 -10.090 3.818 -16.473 247 2HE LYS 34 3HE LYS 34 -11.675 3.295 -15.939 248 1HZ LYS 34 1HZ LYS 34 -11.050 5.848 -17.253 249 2HZ LYS 34 2HZ LYS 34 -11.873 4.594 -17.902 250 3HZ LYS 34 3HZ LYS 34 -12.525 5.451 -16.673 251 H ALA 35 HN ALA 35 -6.551 2.958 -12.181 252 HA ALA 35 HA ALA 35 -5.556 3.832 -14.807 253 1HB ALA 35 1HB ALA 35 -4.321 4.464 -12.109 254 2HB ALA 35 2HB ALA 35 -4.041 5.268 -13.672 255 3HB ALA 35 3HB ALA 35 -5.594 5.479 -12.829 256 H GLY 36 HN GLY 36 -5.947 1.041 -13.629 257 1HA GLY 36 1HA GLY 36 -4.761 -0.857 -13.256 258 2HA GLY 36 2HA GLY 36 -3.873 -0.306 -14.663 259 H GLN 37 HN GLN 37 -4.035 0.879 -11.226 260 HA GLN 37 HA GLN 37 -1.294 0.097 -10.884 261 1HB GLN 37 2HB GLN 37 -0.642 2.422 -10.111 262 2HB GLN 37 3HB GLN 37 -0.916 2.277 -11.837 263 1HG GLN 37 2HG GLN 37 -2.434 3.954 -11.690 264 2HG GLN 37 3HG GLN 37 -3.463 2.894 -10.749 265 1HE2 GLN 37 1HE2 GLN 37 -3.813 3.286 -8.668 266 2HE2 GLN 37 2HE2 GLN 37 -3.052 4.519 -7.718 267 H ILE 38 HN ILE 38 -1.165 -0.822 -8.884 268 HA ILE 38 HA ILE 38 -3.260 -0.140 -6.975 269 HB ILE 38 HB ILE 38 -2.655 -2.517 -7.766 270 1HG1 ILE 38 2HG1 ILE 38 -2.742 -2.986 -4.996 271 2HG1 ILE 38 3HG1 ILE 38 -3.547 -1.446 -5.222 272 1HG2 ILE 38 1HG2 ILE 38 -0.329 -2.631 -7.550 273 2HG2 ILE 38 2HG2 ILE 38 -0.347 -1.892 -5.931 274 3HG2 ILE 38 3HG2 ILE 38 -0.944 -3.554 -6.157 275 1HD1 ILE 38 1HD1 ILE 38 -4.253 -4.143 -6.405 276 2HD1 ILE 38 2HD1 ILE 38 -5.299 -2.988 -5.544 277 3HD1 ILE 38 3HD1 ILE 38 -4.784 -2.649 -7.213 278 H ALA 39 HN ALA 39 -2.799 0.544 -4.832 279 HA ALA 39 HA ALA 39 -0.350 2.051 -4.662 280 1HB ALA 39 1HB ALA 39 -2.061 3.307 -3.785 281 2HB ALA 39 2HB ALA 39 -2.966 1.881 -3.224 282 3HB ALA 39 3HB ALA 39 -1.566 2.469 -2.296 283 H SER 40 HN SER 40 1.442 0.774 -4.316 284 HA SER 40 HA SER 40 1.327 -0.805 -1.881 285 1HB SER 40 2HB SER 40 2.427 -1.705 -4.575 286 2HB SER 40 3HB SER 40 2.842 -2.504 -3.072 287 HG SER 40 HG SER 40 0.274 -2.471 -2.874 288 H SER 41 HN SER 41 3.968 -1.683 -1.764 289 HA SER 41 HA SER 41 5.411 0.849 -1.901 290 1HB SER 41 2HB SER 41 5.834 -1.463 0.047 291 2HB SER 41 3HB SER 41 6.727 0.046 0.045 292 HG SER 41 HG SER 41 3.855 0.049 0.257 293 HA PRO 42 HA PRO 42 7.629 -1.911 -4.667 294 1HB PRO 42 2HB PRO 42 8.289 -0.031 -6.536 295 2HB PRO 42 3HB PRO 42 6.833 -1.001 -6.626 296 1HG PRO 42 2HG PRO 42 7.121 1.841 -5.867 297 2HG PRO 42 3HG PRO 42 5.680 0.980 -6.370 298 1HD PRO 42 2HD PRO 42 6.381 1.737 -3.693 299 2HD PRO 42 3HD PRO 42 5.000 0.776 -4.184 300 H ARG 43 HN ARG 43 8.756 1.407 -4.176 301 HA ARG 43 HA ARG 43 11.406 0.317 -3.922 302 1HB ARG 43 2HB ARG 43 10.533 3.242 -3.751 303 2HB ARG 43 3HB ARG 43 12.161 2.652 -4.025 304 1HG ARG 43 2HG ARG 43 9.900 1.933 -5.928 305 2HG ARG 43 3HG ARG 43 10.764 3.450 -6.090 306 1HD ARG 43 2HD ARG 43 12.211 2.236 -7.390 307 2HD ARG 43 3HD ARG 43 12.883 1.708 -5.860 308 HE ARG 43 HE ARG 43 10.844 -0.092 -6.220 309 1HH1 ARG 43 1HH1 ARG 43 12.110 -2.246 -8.657 310 2HH1 ARG 43 2HH1 ARG 43 10.965 -2.063 -7.371 311 1HH2 ARG 43 1HH2 ARG 43 13.521 -0.488 -9.214 312 2HH2 ARG 43 2HH2 ARG 43 13.428 1.006 -8.341 313 H THR 44 HN THR 44 11.030 -0.794 -1.840 314 HA THR 44 HA THR 44 10.265 0.799 0.435 315 HB THR 44 HB THR 44 11.394 -2.041 0.316 316 HG1 THR 44 1HG THR 44 9.190 -2.581 -0.158 317 1HG2 THR 44 1HG2 THR 44 10.031 -2.398 2.301 318 2HG2 THR 44 2HG2 THR 44 10.984 -0.925 2.599 319 3HG2 THR 44 3HG2 THR 44 9.272 -0.797 2.133 320 H GLU 45 HN GLU 45 12.952 0.971 -1.378 321 HA GLU 45 HA GLU 45 15.096 0.478 0.141 322 1HB GLU 45 2HB GLU 45 16.252 2.178 -1.124 323 2HB GLU 45 3HB GLU 45 15.044 1.477 -2.181 324 1HG GLU 45 2HG GLU 45 13.547 3.365 -1.877 325 2HG GLU 45 3HG GLU 45 14.509 4.000 -0.557 326 H ASP 46 HN ASP 46 12.658 3.031 0.609 327 HA ASP 46 HA ASP 46 14.276 4.219 2.680 328 1HB ASP 46 2HB ASP 46 12.114 5.071 0.933 329 2HB ASP 46 3HB ASP 46 11.639 5.349 2.596 330 H CYS 47 HN CYS 47 12.157 5.084 4.429 331 HA CYS 47 HA CYS 47 10.708 4.438 5.973 332 1HB CYS 47 2HB CYS 47 9.599 3.009 4.237 333 2HB CYS 47 3HB CYS 47 10.633 1.676 4.715 334 H VAL 48 HN VAL 48 11.747 4.411 7.937 335 HA VAL 48 HA VAL 48 13.655 2.220 8.387 336 HB VAL 48 HB VAL 48 14.666 4.471 8.152 337 1HG1 VAL 48 1HG1 VAL 48 14.252 6.239 9.654 338 2HG1 VAL 48 2HG1 VAL 48 12.637 5.635 9.214 339 3HG1 VAL 48 3HG1 VAL 48 13.357 5.192 10.781 340 1HG2 VAL 48 1HG2 VAL 48 15.846 4.394 10.463 341 2HG2 VAL 48 2HG2 VAL 48 14.846 2.949 10.750 342 3HG2 VAL 48 3HG2 VAL 48 15.984 2.986 9.382 343 H GLY 49 HN GLY 49 10.894 1.819 8.769 344 1HA GLY 49 1HA GLY 49 9.573 0.896 10.350 345 2HA GLY 49 2HA GLY 49 10.858 1.096 11.525 346 H CYS 50 HN CYS 50 8.114 2.722 9.885 347 HA CYS 50 HA CYS 50 7.907 4.443 12.228 348 1HB CYS 50 2HB CYS 50 8.342 6.321 11.113 349 2HB CYS 50 3HB CYS 50 8.734 5.385 9.685 350 H LYS 51 HN LYS 51 5.925 3.952 13.099 351 HA LYS 51 HA LYS 51 4.038 2.358 12.023 352 1HB LYS 51 2HB LYS 51 4.098 4.415 14.152 353 2HB LYS 51 3HB LYS 51 2.502 4.017 13.550 354 1HG LYS 51 2HG LYS 51 2.930 1.598 13.946 355 2HG LYS 51 3HG LYS 51 4.556 1.959 14.489 356 1HD LYS 51 2HD LYS 51 3.396 3.535 16.243 357 2HD LYS 51 3HD LYS 51 1.927 2.665 15.842 358 1HE LYS 51 2HE LYS 51 2.726 0.624 16.713 359 2HE LYS 51 3HE LYS 51 4.409 1.066 16.499 360 1HZ LYS 51 1HZ LYS 51 4.398 2.286 18.393 361 2HZ LYS 51 2HZ LYS 51 2.806 2.646 18.332 362 3HZ LYS 51 3HZ LYS 51 3.291 1.162 18.816 363 H ARG 52 HN ARG 52 2.833 5.674 12.451 364 HA ARG 52 HA ARG 52 1.566 6.898 11.192 365 1HB ARG 52 2HB ARG 52 3.859 6.164 9.393 366 2HB ARG 52 3HB ARG 52 2.487 6.927 8.614 367 1HG ARG 52 2HG ARG 52 3.970 8.709 9.273 368 2HG ARG 52 3HG ARG 52 2.606 8.772 10.373 369 1HD ARG 52 2HD ARG 52 4.437 6.976 11.593 370 2HD ARG 52 3HD ARG 52 5.435 8.274 10.966 371 HE ARG 52 HE ARG 52 3.422 9.685 12.159 372 1HH1 ARG 52 1HH1 ARG 52 4.089 9.363 15.570 373 2HH1 ARG 52 2HH1 ARG 52 3.297 10.309 14.353 374 1HH2 ARG 52 1HH2 ARG 52 5.279 7.463 14.968 375 2HH2 ARG 52 2HH2 ARG 52 5.373 6.990 13.304 376 H CYS 53 HN CYS 53 2.413 4.825 8.374 377 HA CYS 53 HA CYS 53 -0.058 4.570 7.363 378 1HB CYS 53 2HB CYS 53 0.743 2.430 6.313 379 2HB CYS 53 3HB CYS 53 1.814 3.801 6.104 380 H GLU 54 HN GLU 54 -1.785 4.251 8.816 381 HA GLU 54 HA GLU 54 -1.870 1.591 9.959 382 1HB GLU 54 2HB GLU 54 -1.686 4.086 11.482 383 2HB GLU 54 3HB GLU 54 -3.163 3.226 11.869 384 1HG GLU 54 2HG GLU 54 -1.230 1.187 11.786 385 2HG GLU 54 3HG GLU 54 -0.371 2.529 12.514 386 H THR 55 HN THR 55 -3.138 1.828 7.707 387 HA THR 55 HA THR 55 -5.892 1.722 8.385 388 HB THR 55 HB THR 55 -5.486 4.233 8.272 389 HG1 THR 55 1HG THR 55 -7.245 4.372 6.530 390 1HG2 THR 55 1HG2 THR 55 -3.798 3.930 6.256 391 2HG2 THR 55 2HG2 THR 55 -5.275 3.820 5.267 392 3HG2 THR 55 3HG2 THR 55 -4.944 5.291 6.213 393 H ALA 56 HN ALA 56 -3.905 -0.057 7.329 394 HA ALA 56 HA ALA 56 -3.914 -0.224 4.568 395 1HB ALA 56 1HB ALA 56 -2.527 -1.506 6.292 396 2HB ALA 56 2HB ALA 56 -3.934 -2.577 6.486 397 3HB ALA 56 3HB ALA 56 -3.123 -2.451 4.907 398 H CYS 57 HN CYS 57 -4.983 -2.459 3.571 399 HA CYS 57 HA CYS 57 -7.757 -1.831 3.541 400 1HB CYS 57 2HB CYS 57 -5.907 -3.188 1.839 401 2HB CYS 57 3HB CYS 57 -7.211 -4.304 2.193 402 HA PRO 58 HA PRO 58 -9.157 -4.995 6.204 403 1HB PRO 58 2HB PRO 58 -11.225 -6.234 4.915 404 2HB PRO 58 3HB PRO 58 -11.380 -4.674 5.697 405 1HG PRO 58 2HG PRO 58 -11.202 -5.292 2.812 406 2HG PRO 58 3HG PRO 58 -11.774 -3.828 3.588 407 1HD PRO 58 2HD PRO 58 -9.238 -4.212 2.306 408 2HD PRO 58 3HD PRO 58 -9.765 -2.788 3.182 409 H THR 59 HN THR 59 -9.986 -7.484 6.347 410 HA THR 59 HA THR 59 -7.611 -8.893 5.570 411 HB THR 59 HB THR 59 -10.226 -9.731 6.931 412 HG1 THR 59 1HG THR 59 -8.946 -9.262 8.778 413 1HG2 THR 59 1HG2 THR 59 -9.406 -11.862 6.897 414 2HG2 THR 59 2HG2 THR 59 -7.989 -11.321 5.965 415 3HG2 THR 59 3HG2 THR 59 -7.952 -11.278 7.744 416 H ASP 60 HN ASP 60 -10.431 -8.004 3.916 417 HA ASP 60 HA ASP 60 -11.201 -10.228 2.602 418 1HB ASP 60 2HB ASP 60 -11.314 -7.354 2.200 419 2HB ASP 60 3HB ASP 60 -11.018 -8.123 0.654 420 H PHE 61 HN PHE 61 -8.154 -8.476 2.450 421 HA PHE 61 HA PHE 61 -7.239 -10.319 0.382 422 1HB PHE 61 2HB PHE 61 -7.512 -7.348 0.336 423 2HB PHE 61 3HB PHE 61 -5.879 -7.866 -0.030 424 HD1 PHE 61 1HD PHE 61 -6.027 -10.136 -1.672 425 HD2 PHE 61 2HD PHE 61 -8.720 -6.860 -1.553 426 HE1 PHE 61 1HE PHE 61 -6.708 -10.610 -4.041 427 HE2 PHE 61 2HE PHE 61 -9.402 -7.334 -3.922 428 HZ PHE 61 HZ PHE 61 -8.387 -9.203 -5.137 429 H LEU 62 HN LEU 62 -6.232 -7.642 2.631 430 HA LEU 62 HA LEU 62 -3.597 -8.461 2.879 431 1HB LEU 62 2HB LEU 62 -5.447 -6.635 4.218 432 2HB LEU 62 3HB LEU 62 -4.230 -7.289 5.295 433 HG LEU 62 HG LEU 62 -3.488 -6.043 2.647 434 1HD1 LEU 62 1HD1 LEU 62 -4.898 -4.535 4.223 435 2HD1 LEU 62 2HD1 LEU 62 -3.420 -4.484 5.215 436 3HD1 LEU 62 3HD1 LEU 62 -3.383 -3.906 3.531 437 1HD2 LEU 62 1HD2 LEU 62 -1.439 -5.531 4.322 438 2HD2 LEU 62 2HD2 LEU 62 -2.044 -7.047 5.033 439 3HD2 LEU 62 3HD2 LEU 62 -1.556 -6.998 3.321 440 H SER 63 HN SER 63 -3.083 -8.831 5.621 441 HA SER 63 HA SER 63 -2.981 -10.338 7.184 442 1HB SER 63 2HB SER 63 -5.512 -10.096 7.240 443 2HB SER 63 3HB SER 63 -5.621 -11.485 6.178 444 HG SER 63 HG SER 63 -5.491 -11.530 8.827 445 H ILE 64 HN ILE 64 -1.190 -11.006 5.564 446 HA ILE 64 HA ILE 64 -1.604 -13.827 4.942 447 HB ILE 64 HB ILE 64 -2.038 -12.625 2.879 448 1HG1 ILE 64 2HG1 ILE 64 0.684 -13.821 2.481 449 2HG1 ILE 64 3HG1 ILE 64 -0.602 -14.832 3.110 450 1HG2 ILE 64 1HG2 ILE 64 -0.618 -11.089 1.876 451 2HG2 ILE 64 2HG2 ILE 64 -0.523 -10.652 3.599 452 3HG2 ILE 64 3HG2 ILE 64 0.787 -11.593 2.845 453 1HD1 ILE 64 1HD1 ILE 64 -0.969 -13.125 0.615 454 2HD1 ILE 64 2HD1 ILE 64 -0.347 -14.792 0.554 455 3HD1 ILE 64 3HD1 ILE 64 -1.985 -14.474 1.175 456 H ARG 65 HN ARG 65 0.719 -11.052 5.136 457 HA ARG 65 HA ARG 65 2.462 -12.875 6.568 458 1HB ARG 65 2HB ARG 65 3.116 -11.193 4.138 459 2HB ARG 65 3HB ARG 65 4.367 -11.428 5.344 460 1HG ARG 65 2HG ARG 65 3.052 -13.971 4.780 461 2HG ARG 65 3HG ARG 65 3.585 -13.236 3.282 462 1HD ARG 65 2HD ARG 65 5.870 -12.856 4.427 463 2HD ARG 65 3HD ARG 65 5.293 -13.880 5.726 464 HE ARG 65 HE ARG 65 5.199 -15.756 4.190 465 1HH1 ARG 65 1HH1 ARG 65 7.092 -15.962 1.265 466 2HH1 ARG 65 2HH1 ARG 65 6.190 -16.852 2.446 467 1HH2 ARG 65 1HH2 ARG 65 7.294 -13.658 1.454 468 2HH2 ARG 65 2HH2 ARG 65 6.544 -12.827 2.775 469 H VAL 66 HN VAL 66 1.787 -11.827 8.547 470 HA VAL 66 HA VAL 66 1.439 -9.216 9.057 471 HB VAL 66 HB VAL 66 2.807 -11.324 10.734 472 1HG1 VAL 66 1HG1 VAL 66 3.106 -9.874 12.407 473 2HG1 VAL 66 2HG1 VAL 66 2.756 -8.568 11.249 474 3HG1 VAL 66 3HG1 VAL 66 1.447 -9.248 12.244 475 1HG2 VAL 66 1HG2 VAL 66 0.000 -10.345 11.149 476 2HG2 VAL 66 2HG2 VAL 66 0.334 -11.495 9.832 477 3HG2 VAL 66 3HG2 VAL 66 0.722 -11.931 11.513 478 H TYR 67 HN TYR 67 2.656 -7.357 9.346 479 HA TYR 67 HA TYR 67 5.559 -7.628 9.274 480 1HB TYR 67 2HB TYR 67 3.810 -6.921 7.074 481 2HB TYR 67 3HB TYR 67 4.552 -5.423 7.601 482 HD1 TYR 67 HD1 TYR 67 4.998 -8.451 5.719 483 HD2 TYR 67 HD2 TYR 67 7.117 -5.321 7.723 484 HE1 TYR 67 HE1 TYR 67 7.099 -9.020 4.404 485 HE2 TYR 67 HE2 TYR 67 9.210 -5.901 6.402 486 HH TYR 67 HH TYR 67 9.528 -8.771 4.700 487 H LEU 68 HN LEU 68 2.717 -5.371 9.373 488 HA LEU 68 HA LEU 68 4.167 -3.338 10.693 489 1HB LEU 68 2HB LEU 68 1.375 -3.870 9.881 490 2HB LEU 68 3HB LEU 68 1.575 -2.790 11.247 491 HG LEU 68 HG LEU 68 2.911 -2.410 8.553 492 1HD1 LEU 68 1HD1 LEU 68 1.260 -0.794 8.009 493 2HD1 LEU 68 2HD1 LEU 68 0.393 -2.258 8.532 494 3HD1 LEU 68 3HD1 LEU 68 0.545 -0.872 9.638 495 1HD2 LEU 68 1HD2 LEU 68 3.686 -1.373 10.961 496 2HD2 LEU 68 2HD2 LEU 68 3.985 -0.624 9.374 497 3HD2 LEU 68 3HD2 LEU 68 2.592 -0.107 10.354 498 H GLY 69 HN GLY 69 1.603 -5.633 11.875 499 1HA GLY 69 1HA GLY 69 2.191 -5.001 14.619 500 2HA GLY 69 2HA GLY 69 1.057 -6.188 14.009 501 H ALA 70 HN ALA 70 4.658 -5.641 13.892 502 HA ALA 70 HA ALA 70 4.949 -8.451 14.712 503 1HB ALA 70 1HB ALA 70 6.114 -8.834 12.833 504 2HB ALA 70 2HB ALA 70 5.783 -7.170 12.295 505 3HB ALA 70 3HB ALA 70 7.243 -7.522 13.252 506 H GLU 71 HN GLU 71 6.300 -5.103 14.686 507 HA GLU 71 HA GLU 71 8.362 -5.661 16.462 508 1HB GLU 71 2HB GLU 71 8.320 -3.130 16.825 509 2HB GLU 71 3HB GLU 71 8.502 -3.660 15.165 510 1HG GLU 71 2HG GLU 71 5.666 -3.417 15.886 511 2HG GLU 71 3HG GLU 71 6.519 -1.914 16.177 512 H THR 72 HN THR 72 8.305 -6.162 18.608 513 HA THR 72 HA THR 72 6.773 -4.803 20.487 514 HB THR 72 HB THR 72 4.795 -5.835 19.479 515 HG1 THR 72 1HG THR 72 5.460 -5.981 21.940 516 1HG2 THR 72 1HG2 THR 72 6.585 -8.246 19.413 517 2HG2 THR 72 2HG2 THR 72 4.896 -8.540 19.892 518 3HG2 THR 72 3HG2 THR 72 5.257 -7.795 18.316 519 H THR 73 HN THR 73 9.352 -5.204 20.576 520 HA THR 73 HA THR 73 10.825 -5.853 22.162 521 HB THR 73 HB THR 73 8.500 -6.627 23.371 522 HG1 THR 73 1HG THR 73 10.179 -7.488 25.003 523 1HG2 THR 73 1HG2 THR 73 8.324 -8.918 23.709 524 2HG2 THR 73 2HG2 THR 73 9.095 -8.990 22.106 525 3HG2 THR 73 3HG2 THR 73 10.081 -9.167 23.577 526 H ARG 74 HN ARG 74 9.220 -8.037 19.917 527 HA ARG 74 HA ARG 74 11.369 -9.897 20.005 528 1HB ARG 74 2HB ARG 74 8.970 -9.577 18.138 529 2HB ARG 74 3HB ARG 74 10.130 -10.880 17.975 530 1HG ARG 74 2HG ARG 74 8.954 -12.057 19.514 531 2HG ARG 74 3HG ARG 74 9.431 -10.880 20.723 532 1HD ARG 74 2HD ARG 74 7.415 -9.666 20.543 533 2HD ARG 74 3HD ARG 74 7.107 -10.211 18.906 534 HE ARG 74 HE ARG 74 6.471 -11.665 21.392 535 1HH1 ARG 74 1HH1 ARG 74 4.906 -14.241 19.633 536 2HH1 ARG 74 2HH1 ARG 74 5.182 -13.541 21.193 537 1HH2 ARG 74 1HH2 ARG 74 5.846 -13.273 17.745 538 2HH2 ARG 74 2HH2 ARG 74 6.823 -11.851 17.895 539 H SER 75 HN SER 75 10.224 -7.190 17.932 540 HA SER 75 HA SER 75 12.850 -7.130 16.744 541 1HB SER 75 2HB SER 75 11.048 -8.456 15.303 542 2HB SER 75 3HB SER 75 10.479 -6.851 14.889 543 HG SER 75 HG SER 75 12.776 -6.374 14.271 544 H MET 76 HN MET 76 11.164 -5.560 18.720 545 HA MET 76 HA MET 76 10.206 -3.272 17.462 546 1HB MET 76 2HB MET 76 9.427 -3.514 19.667 547 2HB MET 76 3HB MET 76 10.955 -4.146 20.248 548 1HG MET 76 2HG MET 76 11.963 -1.879 20.160 549 2HG MET 76 3HG MET 76 10.487 -1.222 19.480 550 1HE MET 76 1HE MET 76 8.940 -0.331 20.388 551 2HE MET 76 2HE MET 76 7.997 -0.915 21.781 552 3HE MET 76 3HE MET 76 9.205 0.374 22.001 553 H GLY 77 HN GLY 77 13.415 -4.150 18.837 554 1HA GLY 77 1HA GLY 77 15.004 -2.712 17.210 555 2HA GLY 77 2HA GLY 77 14.495 -1.504 18.373 556 H LEU 78 HN LEU 78 15.092 -5.046 18.864 557 HA LEU 78 HA LEU 78 16.889 -4.326 21.038 558 1HB LEU 78 2HB LEU 78 15.520 -5.858 21.931 559 2HB LEU 78 3HB LEU 78 15.115 -6.575 20.384 560 HG LEU 78 HG LEU 78 16.344 -8.032 22.076 561 1HD1 LEU 78 1HD1 LEU 78 16.652 -7.797 19.205 562 2HD1 LEU 78 2HD1 LEU 78 18.095 -8.523 19.953 563 3HD1 LEU 78 3HD1 LEU 78 16.492 -9.248 20.223 564 1HD2 LEU 78 1HD2 LEU 78 18.310 -7.418 22.896 565 2HD2 LEU 78 2HD2 LEU 78 18.990 -7.284 21.257 566 3HD2 LEU 78 3HD2 LEU 78 18.181 -5.884 22.002 567 H ALA 79 HN ALA 79 16.779 -6.048 17.888 568 HA ALA 79 HA ALA 79 19.640 -5.703 17.686 569 1HB ALA 79 1HB ALA 79 19.826 -8.195 17.025 570 2HB ALA 79 2HB ALA 79 19.712 -7.812 18.760 571 3HB ALA 79 3HB ALA 79 18.281 -8.405 17.883 572 H TYR 80 HN TYR 80 16.669 -7.248 16.284 573 HA TYR 80 HA TYR 80 17.571 -6.988 13.619 574 1HB TYR 80 2HB TYR 80 14.699 -7.060 14.709 575 2HB TYR 80 3HB TYR 80 15.254 -7.727 13.186 576 HD1 TYR 80 HD1 TYR 80 17.248 -9.558 13.522 577 HD2 TYR 80 HD2 TYR 80 14.238 -8.573 16.398 578 HE1 TYR 80 HE1 TYR 80 17.564 -11.820 14.638 579 HE2 TYR 80 HE2 TYR 80 14.563 -10.840 17.504 580 HH TYR 80 HH TYR 80 15.359 -13.008 16.959 Start of MODEL 24 1 H SER 1 HN SER 1 -4.234 -1.612 8.188 2 HA SER 1 HA SER 1 -5.894 -2.589 10.035 3 1HB SER 1 2HB SER 1 -5.900 -4.324 7.605 4 2HB SER 1 3HB SER 1 -5.693 -5.168 9.127 5 HG SER 1 HG SER 1 -7.643 -3.590 9.731 6 H HIS 2 HN HIS 2 -3.276 -3.856 7.852 7 HA HIS 2 HA HIS 2 -1.228 -3.441 9.618 8 1HB HIS 2 2HB HIS 2 -0.802 -5.841 10.352 9 2HB HIS 2 3HB HIS 2 -2.036 -4.943 11.212 10 HD1 HIS 2 HD1 HIS 2 -3.868 -6.529 11.797 11 HD2 HIS 2 HD2 HIS 2 -2.396 -7.190 7.926 12 HE1 HIS 2 HE1 HIS 2 -5.294 -8.394 10.799 13 H SER 3 HN SER 3 0.815 -4.641 8.902 14 HA SER 3 HA SER 3 2.181 -5.209 7.316 15 1HB SER 3 2HB SER 3 1.629 -7.043 5.855 16 2HB SER 3 3HB SER 3 0.773 -7.316 7.360 17 HG SER 3 HG SER 3 -0.826 -5.818 5.737 18 H VAL 4 HN VAL 4 2.897 -4.647 5.110 19 HA VAL 4 HA VAL 4 1.003 -3.245 3.441 20 HB VAL 4 HB VAL 4 2.433 -1.210 3.379 21 1HG1 VAL 4 1HG1 VAL 4 1.273 -1.780 6.126 22 2HG1 VAL 4 2HG1 VAL 4 1.474 -0.192 5.347 23 3HG1 VAL 4 3HG1 VAL 4 0.309 -1.364 4.689 24 1HG2 VAL 4 1HG2 VAL 4 3.983 -0.758 5.216 25 2HG2 VAL 4 2HG2 VAL 4 3.692 -2.384 5.881 26 3HG2 VAL 4 3HG2 VAL 4 4.493 -2.198 4.302 27 H LYS 5 HN LYS 5 2.452 -5.733 3.219 28 HA LYS 5 HA LYS 5 4.864 -5.447 1.854 29 1HB LYS 5 2HB LYS 5 2.979 -7.555 2.514 30 2HB LYS 5 3HB LYS 5 3.603 -7.765 0.890 31 1HG LYS 5 2HG LYS 5 5.596 -7.020 3.013 32 2HG LYS 5 3HG LYS 5 4.925 -8.638 3.096 33 1HD LYS 5 2HD LYS 5 6.138 -7.471 0.549 34 2HD LYS 5 3HD LYS 5 7.067 -8.400 1.709 35 1HE LYS 5 2HE LYS 5 5.411 -10.306 1.428 36 2HE LYS 5 3HE LYS 5 4.613 -9.379 0.173 37 1HZ LYS 5 1HZ LYS 5 6.843 -9.287 -0.919 38 2HZ LYS 5 2HZ LYS 5 7.354 -10.413 0.149 39 3HZ LYS 5 3HZ LYS 5 6.139 -10.760 -0.886 40 H ILE 6 HN ILE 6 4.997 -6.350 -0.577 41 HA ILE 6 HA ILE 6 3.567 -4.372 -2.106 42 HB ILE 6 HB ILE 6 5.683 -6.400 -2.833 43 1HG1 ILE 6 2HG1 ILE 6 6.844 -3.988 -3.156 44 2HG1 ILE 6 3HG1 ILE 6 5.726 -3.584 -1.867 45 1HG2 ILE 6 1HG2 ILE 6 4.000 -5.603 -4.664 46 2HG2 ILE 6 2HG2 ILE 6 4.921 -4.083 -4.582 47 3HG2 ILE 6 3HG2 ILE 6 5.748 -5.603 -4.997 48 1HD1 ILE 6 1HD1 ILE 6 6.696 -5.099 -0.352 49 2HD1 ILE 6 2HD1 ILE 6 7.376 -6.112 -1.648 50 3HD1 ILE 6 3HD1 ILE 6 8.114 -4.537 -1.270 51 H TYR 7 HN TYR 7 1.400 -5.315 -1.600 52 HA TYR 7 HA TYR 7 0.869 -7.602 -3.376 53 1HB TYR 7 2HB TYR 7 -0.284 -6.615 -0.701 54 2HB TYR 7 3HB TYR 7 -1.138 -7.797 -1.673 55 HD1 TYR 7 HD1 TYR 7 0.809 -9.686 -2.578 56 HD2 TYR 7 HD2 TYR 7 0.669 -7.609 1.160 57 HE1 TYR 7 HE1 TYR 7 2.153 -11.547 -1.486 58 HE2 TYR 7 HE2 TYR 7 2.013 -9.477 2.240 59 HH TYR 7 HH TYR 7 3.356 -12.085 0.300 60 H ASP 8 HN ASP 8 -1.484 -7.634 -4.162 61 HA ASP 8 HA ASP 8 -2.010 -5.021 -5.200 62 1HB ASP 8 2HB ASP 8 -3.457 -6.118 -6.744 63 2HB ASP 8 3HB ASP 8 -2.125 -7.234 -6.514 64 H THR 9 HN THR 9 -2.404 -5.068 -2.404 65 HA THR 9 HA THR 9 -5.215 -5.583 -1.896 66 HB THR 9 HB THR 9 -3.736 -6.255 -0.133 67 HG1 THR 9 1HG THR 9 -5.580 -4.497 0.212 68 1HG2 THR 9 1HG2 THR 9 -1.646 -5.151 -0.614 69 2HG2 THR 9 2HG2 THR 9 -2.412 -3.544 -0.605 70 3HG2 THR 9 3HG2 THR 9 -2.201 -4.438 0.920 71 H CYS 10 HN CYS 10 -6.399 -4.134 -3.130 72 HA CYS 10 HA CYS 10 -6.549 -1.531 -1.994 73 1HB CYS 10 2HB CYS 10 -4.627 -1.443 -3.748 74 2HB CYS 10 3HB CYS 10 -5.906 -1.532 -4.942 75 H ILE 11 HN ILE 11 -8.644 -0.665 -2.393 76 HA ILE 11 HA ILE 11 -10.354 -2.404 -4.031 77 HB ILE 11 HB ILE 11 -12.165 -1.855 -2.575 78 1HG1 ILE 11 2HG1 ILE 11 -11.394 -0.531 -0.383 79 2HG1 ILE 11 3HG1 ILE 11 -10.284 0.209 -1.518 80 1HG2 ILE 11 1HG2 ILE 11 -9.672 -3.028 -1.525 81 2HG2 ILE 11 2HG2 ILE 11 -10.854 -2.535 -0.289 82 3HG2 ILE 11 3HG2 ILE 11 -11.328 -3.679 -1.568 83 1HD1 ILE 11 1HD1 ILE 11 -12.126 1.613 -1.767 84 2HD1 ILE 11 2HD1 ILE 11 -12.470 0.419 -3.041 85 3HD1 ILE 11 3HD1 ILE 11 -13.295 0.305 -1.467 86 H GLY 12 HN GLY 12 -8.888 0.699 -3.699 87 1HA GLY 12 1HA GLY 12 -9.036 2.063 -5.708 88 2HA GLY 12 2HA GLY 12 -10.767 1.787 -5.711 89 H CYS 13 HN CYS 13 -8.874 2.319 -2.717 90 HA CYS 13 HA CYS 13 -10.258 4.889 -2.463 91 1HB CYS 13 2HB CYS 13 -10.979 4.292 -0.437 92 2HB CYS 13 3HB CYS 13 -10.428 2.664 -0.780 93 H THR 14 HN THR 14 -8.914 6.279 -0.677 94 HA THR 14 HA THR 14 -6.044 5.915 -1.141 95 HB THR 14 HB THR 14 -5.939 8.403 -1.670 96 HG1 THR 14 1HG THR 14 -8.141 8.686 -0.645 97 1HG2 THR 14 1HG2 THR 14 -6.955 6.296 -3.400 98 2HG2 THR 14 2HG2 THR 14 -7.796 7.818 -3.778 99 3HG2 THR 14 3HG2 THR 14 -6.019 7.740 -3.855 100 H GLN 15 HN GLN 15 -6.187 5.054 1.061 101 HA GLN 15 HA GLN 15 -6.335 7.279 2.942 102 1HB GLN 15 2HB GLN 15 -7.218 5.753 4.642 103 2HB GLN 15 3HB GLN 15 -8.256 5.722 3.230 104 1HG GLN 15 2HG GLN 15 -7.003 3.655 2.433 105 2HG GLN 15 3HG GLN 15 -6.121 3.658 3.947 106 1HE2 GLN 15 1HE2 GLN 15 -7.015 1.561 4.276 107 2HE2 GLN 15 2HE2 GLN 15 -8.611 1.354 4.920 108 H CYS 16 HN CYS 16 -4.910 4.057 2.139 109 HA CYS 16 HA CYS 16 -2.860 4.401 4.117 110 1HB CYS 16 2HB CYS 16 -2.231 2.213 3.668 111 2HB CYS 16 3HB CYS 16 -3.953 2.177 3.349 112 H VAL 17 HN VAL 17 -3.396 6.205 1.578 113 HA VAL 17 HA VAL 17 -0.665 6.014 0.510 114 HB VAL 17 HB VAL 17 -1.942 7.482 -1.331 115 1HG1 VAL 17 1HG1 VAL 17 -1.393 5.756 -2.653 116 2HG1 VAL 17 2HG1 VAL 17 -0.849 4.937 -1.169 117 3HG1 VAL 17 3HG1 VAL 17 -2.488 4.643 -1.797 118 1HG2 VAL 17 1HG2 VAL 17 -4.079 5.622 -0.233 119 2HG2 VAL 17 2HG2 VAL 17 -4.114 7.401 -0.219 120 3HG2 VAL 17 3HG2 VAL 17 -4.177 6.522 -1.765 121 H ARG 18 HN ARG 18 -2.535 7.597 2.746 122 HA ARG 18 HA ARG 18 -1.170 10.108 2.191 123 1HB ARG 18 2HB ARG 18 -3.948 9.508 2.916 124 2HB ARG 18 3HB ARG 18 -3.232 10.587 4.095 125 1HG ARG 18 2HG ARG 18 -4.052 12.093 2.480 126 2HG ARG 18 3HG ARG 18 -2.366 11.946 2.025 127 1HD ARG 18 2HD ARG 18 -3.720 9.813 0.688 128 2HD ARG 18 3HD ARG 18 -4.738 11.226 0.491 129 HE ARG 18 HE ARG 18 -2.298 10.771 -0.881 130 1HH1 ARG 18 1HH1 ARG 18 -1.545 14.092 -1.642 131 2HH1 ARG 18 2HH1 ARG 18 -1.232 12.433 -2.031 132 1HH2 ARG 18 1HH2 ARG 18 -3.045 14.625 0.047 133 2HH2 ARG 18 2HH2 ARG 18 -3.853 13.364 0.917 134 H ALA 19 HN ALA 19 -2.383 7.858 4.763 135 HA ALA 19 HA ALA 19 -1.372 9.006 6.992 136 1HB ALA 19 1HB ALA 19 -2.406 6.509 6.213 137 2HB ALA 19 2HB ALA 19 -0.837 6.141 6.970 138 3HB ALA 19 3HB ALA 19 -2.069 7.056 7.872 139 H CYS 20 HN CYS 20 0.413 6.634 4.885 140 HA CYS 20 HA CYS 20 2.801 6.743 6.184 141 1HB CYS 20 2HB CYS 20 2.194 5.197 4.313 142 2HB CYS 20 3HB CYS 20 2.436 6.511 3.179 143 HA PRO 21 HA PRO 21 3.822 10.959 5.400 144 1HB PRO 21 2HB PRO 21 6.019 11.089 7.019 145 2HB PRO 21 3HB PRO 21 4.384 11.342 7.599 146 1HG PRO 21 2HG PRO 21 6.135 8.986 7.957 147 2HG PRO 21 3HG PRO 21 4.701 9.436 8.858 148 1HD PRO 21 2HD PRO 21 4.893 7.409 6.837 149 2HD PRO 21 3HD PRO 21 3.437 7.938 7.657 150 H LEU 22 HN LEU 22 6.638 8.833 5.695 151 HA LEU 22 HA LEU 22 8.325 10.133 4.065 152 1HB LEU 22 2HB LEU 22 7.865 7.154 4.247 153 2HB LEU 22 3HB LEU 22 9.267 7.899 3.505 154 HG LEU 22 HG LEU 22 9.297 9.085 5.970 155 1HD1 LEU 22 1HD1 LEU 22 7.766 8.002 7.228 156 2HD1 LEU 22 2HD1 LEU 22 7.786 6.544 6.206 157 3HD1 LEU 22 3HD1 LEU 22 9.080 6.813 7.398 158 1HD2 LEU 22 1HD2 LEU 22 11.325 8.317 5.265 159 2HD2 LEU 22 2HD2 LEU 22 10.946 7.070 6.477 160 3HD2 LEU 22 3HD2 LEU 22 10.681 6.740 4.748 161 H ASP 23 HN ASP 23 6.865 7.224 2.570 162 HA ASP 23 HA ASP 23 5.184 8.129 0.796 163 1HB ASP 23 2HB ASP 23 6.752 8.545 -1.283 164 2HB ASP 23 3HB ASP 23 6.411 9.865 -0.182 165 H VAL 24 HN VAL 24 5.682 5.693 1.900 166 HA VAL 24 HA VAL 24 7.237 4.073 0.073 167 HB VAL 24 HB VAL 24 5.761 3.568 2.652 168 1HG1 VAL 24 1HG1 VAL 24 5.545 1.413 2.109 169 2HG1 VAL 24 2HG1 VAL 24 6.409 1.659 0.572 170 3HG1 VAL 24 3HG1 VAL 24 7.321 1.303 2.059 171 1HG2 VAL 24 1HG2 VAL 24 8.570 2.804 2.498 172 2HG2 VAL 24 2HG2 VAL 24 8.325 4.522 2.105 173 3HG2 VAL 24 3HG2 VAL 24 7.739 3.872 3.653 174 H LEU 25 HN LEU 25 3.840 4.050 1.379 175 HA LEU 25 HA LEU 25 2.920 2.257 -0.567 176 1HB LEU 25 2HB LEU 25 1.432 4.256 1.141 177 2HB LEU 25 3HB LEU 25 0.683 2.980 0.201 178 HG LEU 25 HG LEU 25 2.692 1.795 1.865 179 1HD1 LEU 25 1HD1 LEU 25 1.244 2.442 4.034 180 2HD1 LEU 25 2HD1 LEU 25 2.734 3.291 3.559 181 3HD1 LEU 25 3HD1 LEU 25 1.146 3.980 3.146 182 1HD2 LEU 25 1HD2 LEU 25 -0.130 1.432 2.619 183 2HD2 LEU 25 2HD2 LEU 25 0.220 1.157 0.895 184 3HD2 LEU 25 3HD2 LEU 25 1.102 0.240 2.142 185 H GLU 26 HN GLU 26 3.920 3.129 -2.537 186 HA GLU 26 HA GLU 26 2.483 5.476 -3.498 187 1HB GLU 26 2HB GLU 26 5.084 4.327 -4.596 188 2HB GLU 26 3HB GLU 26 4.351 5.861 -5.022 189 1HG GLU 26 2HG GLU 26 4.530 6.383 -2.434 190 2HG GLU 26 3HG GLU 26 5.694 5.072 -2.419 191 H MET 27 HN MET 27 2.326 5.400 -6.085 192 HA MET 27 HA MET 27 0.656 3.235 -6.636 193 1HB MET 27 2HB MET 27 1.984 5.355 -8.410 194 2HB MET 27 3HB MET 27 0.772 4.243 -9.013 195 1HG MET 27 2HG MET 27 -0.573 6.069 -8.430 196 2HG MET 27 3HG MET 27 -0.669 5.122 -6.959 197 1HE MET 27 1HE MET 27 -1.104 8.222 -7.629 198 2HE MET 27 2HE MET 27 -1.405 7.779 -5.931 199 3HE MET 27 3HE MET 27 -0.325 9.141 -6.319 200 H VAL 28 HN VAL 28 0.966 1.318 -7.787 201 HA VAL 28 HA VAL 28 3.650 0.899 -8.890 202 HB VAL 28 HB VAL 28 3.967 -1.071 -7.771 203 1HG1 VAL 28 1HG1 VAL 28 3.324 -0.730 -5.359 204 2HG1 VAL 28 2HG1 VAL 28 4.129 0.662 -6.124 205 3HG1 VAL 28 3HG1 VAL 28 2.365 0.678 -5.879 206 1HG2 VAL 28 1HG2 VAL 28 1.761 -1.953 -6.407 207 2HG2 VAL 28 2HG2 VAL 28 1.025 -1.274 -7.880 208 3HG2 VAL 28 3HG2 VAL 28 2.271 -2.538 -8.008 209 HA PRO 29 HA PRO 29 1.558 -0.922 -12.209 210 1HB PRO 29 2HB PRO 29 3.048 -3.106 -12.904 211 2HB PRO 29 3HB PRO 29 3.499 -1.465 -13.322 212 1HG PRO 29 2HG PRO 29 4.644 -3.230 -11.246 213 2HG PRO 29 3HG PRO 29 5.333 -1.786 -11.961 214 1HD PRO 29 2HD PRO 29 4.122 -2.008 -9.370 215 2HD PRO 29 3HD PRO 29 4.706 -0.541 -10.132 216 H TRP 30 HN TRP 30 -0.485 -1.586 -12.026 217 HA TRP 30 HA TRP 30 -0.755 -4.332 -11.034 218 1HB TRP 30 2HB TRP 30 -1.302 -2.849 -9.189 219 2HB TRP 30 3HB TRP 30 -2.426 -1.958 -10.194 220 HD1 TRP 30 HD1 TRP 30 -4.880 -2.672 -9.694 221 HE1 TRP 30 HE1 TRP 30 -6.212 -4.825 -8.953 222 HE3 TRP 30 HE3 TRP 30 -0.830 -5.737 -9.459 223 HZ2 TRP 30 HZ2 TRP 30 -5.439 -7.509 -8.365 224 HZ3 TRP 30 HZ3 TRP 30 -1.205 -8.110 -8.793 225 HH2 TRP 30 HH2 TRP 30 -3.414 -9.008 -8.256 226 H ASP 31 HN ASP 31 -3.210 -5.015 -11.593 227 HA ASP 31 HA ASP 31 -3.942 -3.799 -14.119 228 1HB ASP 31 2HB ASP 31 -2.501 -6.080 -14.175 229 2HB ASP 31 3HB ASP 31 -4.068 -6.802 -13.872 230 H GLY 32 HN GLY 32 -5.404 -3.093 -12.031 231 1HA GLY 32 1HA GLY 32 -7.846 -4.675 -12.237 232 2HA GLY 32 2HA GLY 32 -7.135 -4.534 -10.641 233 H CYS 33 HN CYS 33 -6.010 -1.826 -11.026 234 HA CYS 33 HA CYS 33 -8.337 -0.379 -10.325 235 1HB CYS 33 2HB CYS 33 -5.486 -0.029 -10.130 236 2HB CYS 33 3HB CYS 33 -6.187 1.415 -10.832 237 HG CYS 33 HG CYS 33 -8.322 1.127 -8.961 238 H LYS 34 HN LYS 34 -8.807 1.826 -11.469 239 HA LYS 34 HA LYS 34 -9.495 1.302 -14.122 240 1HB LYS 34 2HB LYS 34 -9.817 3.437 -12.171 241 2HB LYS 34 3HB LYS 34 -9.532 4.082 -13.775 242 1HG LYS 34 2HG LYS 34 -11.401 1.788 -13.783 243 2HG LYS 34 3HG LYS 34 -11.977 3.127 -12.808 244 1HD LYS 34 2HD LYS 34 -12.724 4.005 -14.777 245 2HD LYS 34 3HD LYS 34 -11.055 4.464 -15.048 246 1HE LYS 34 2HE LYS 34 -10.637 2.349 -16.275 247 2HE LYS 34 3HE LYS 34 -12.267 1.802 -15.935 248 1HZ LYS 34 1HZ LYS 34 -11.384 3.858 -17.768 249 2HZ LYS 34 2HZ LYS 34 -12.557 2.737 -17.950 250 3HZ LYS 34 3HZ LYS 34 -12.836 4.073 -17.053 251 H ALA 35 HN ALA 35 -6.558 2.531 -12.617 252 HA ALA 35 HA ALA 35 -5.538 3.197 -15.293 253 1HB ALA 35 1HB ALA 35 -3.840 4.538 -14.005 254 2HB ALA 35 2HB ALA 35 -5.513 5.113 -13.811 255 3HB ALA 35 3HB ALA 35 -4.744 4.162 -12.519 256 H GLY 36 HN GLY 36 -5.857 0.525 -13.713 257 1HA GLY 36 1HA GLY 36 -4.626 -1.306 -13.230 258 2HA GLY 36 2HA GLY 36 -3.743 -0.864 -14.678 259 H GLN 37 HN GLN 37 -3.974 0.534 -11.322 260 HA GLN 37 HA GLN 37 -1.224 -0.113 -10.895 261 1HB GLN 37 2HB GLN 37 -0.634 2.304 -10.344 262 2HB GLN 37 3HB GLN 37 -0.827 1.948 -12.050 263 1HG GLN 37 2HG GLN 37 -2.387 3.586 -12.180 264 2HG GLN 37 3HG GLN 37 -3.430 2.638 -11.139 265 1HE2 GLN 37 1HE2 GLN 37 -3.810 3.253 -9.107 266 2HE2 GLN 37 2HE2 GLN 37 -3.117 4.631 -8.318 267 H ILE 38 HN ILE 38 -1.138 -0.843 -8.817 268 HA ILE 38 HA ILE 38 -3.232 0.078 -7.001 269 HB ILE 38 HB ILE 38 -2.487 -2.419 -7.630 270 1HG1 ILE 38 2HG1 ILE 38 -3.234 -2.438 -4.854 271 2HG1 ILE 38 3HG1 ILE 38 -4.085 -1.136 -5.659 272 1HG2 ILE 38 1HG2 ILE 38 -0.217 -1.695 -6.403 273 2HG2 ILE 38 2HG2 ILE 38 -1.138 -2.255 -4.987 274 3HG2 ILE 38 3HG2 ILE 38 -0.861 -3.353 -6.361 275 1HD1 ILE 38 1HD1 ILE 38 -5.062 -2.616 -7.276 276 2HD1 ILE 38 2HD1 ILE 38 -3.940 -3.932 -6.855 277 3HD1 ILE 38 3HD1 ILE 38 -5.216 -3.450 -5.711 278 H ALA 39 HN ALA 39 -2.767 1.024 -4.989 279 HA ALA 39 HA ALA 39 -0.187 2.316 -4.903 280 1HB ALA 39 1HB ALA 39 -1.752 3.866 -4.290 281 2HB ALA 39 2HB ALA 39 -2.879 2.637 -3.665 282 3HB ALA 39 3HB ALA 39 -1.491 3.158 -2.678 283 H SER 40 HN SER 40 1.479 1.046 -4.197 284 HA SER 40 HA SER 40 1.250 0.049 -1.533 285 1HB SER 40 2HB SER 40 1.093 -1.747 -3.872 286 2HB SER 40 3HB SER 40 2.387 -2.185 -2.774 287 HG SER 40 HG SER 40 0.714 -3.218 -1.832 288 H SER 41 HN SER 41 3.590 -1.418 -1.314 289 HA SER 41 HA SER 41 5.507 0.617 -1.605 290 1HB SER 41 2HB SER 41 5.420 -2.169 -0.505 291 2HB SER 41 3HB SER 41 7.003 -1.559 -0.943 292 HG SER 41 HG SER 41 5.208 0.016 0.669 293 HA PRO 42 HA PRO 42 6.771 -0.600 -5.629 294 1HB PRO 42 2HB PRO 42 8.663 1.333 -6.021 295 2HB PRO 42 3HB PRO 42 6.956 1.588 -6.325 296 1HG PRO 42 2HG PRO 42 8.603 2.564 -4.073 297 2HG PRO 42 3HG PRO 42 7.040 3.138 -4.620 298 1HD PRO 42 2HD PRO 42 7.556 1.485 -2.334 299 2HD PRO 42 3HD PRO 42 5.986 1.964 -2.949 300 H ARG 43 HN ARG 43 9.344 0.311 -3.381 301 HA ARG 43 HA ARG 43 10.491 -2.271 -3.897 302 1HB ARG 43 2HB ARG 43 11.999 0.348 -4.372 303 2HB ARG 43 3HB ARG 43 12.786 -1.214 -4.260 304 1HG ARG 43 2HG ARG 43 11.365 -2.034 -6.179 305 2HG ARG 43 3HG ARG 43 10.661 -0.434 -6.313 306 1HD ARG 43 2HD ARG 43 12.952 0.522 -6.724 307 2HD ARG 43 3HD ARG 43 13.632 -1.090 -6.625 308 HE ARG 43 HE ARG 43 12.716 -1.611 -8.744 309 1HH1 ARG 43 1HH1 ARG 43 10.998 0.483 -10.944 310 2HH1 ARG 43 2HH1 ARG 43 11.814 -1.034 -10.762 311 1HH2 ARG 43 1HH2 ARG 43 10.822 1.929 -9.137 312 2HH2 ARG 43 2HH2 ARG 43 11.506 1.492 -7.607 313 H THR 44 HN THR 44 9.207 -0.455 -1.700 314 HA THR 44 HA THR 44 9.596 0.202 0.417 315 HB THR 44 HB THR 44 11.023 -2.510 0.370 316 HG1 THR 44 1HG THR 44 8.805 -2.330 -0.579 317 1HG2 THR 44 1HG2 THR 44 9.801 -2.610 2.676 318 2HG2 THR 44 2HG2 THR 44 11.287 -1.634 2.594 319 3HG2 THR 44 3HG2 THR 44 9.695 -0.839 2.550 320 H GLU 45 HN GLU 45 11.687 1.020 -1.627 321 HA GLU 45 HA GLU 45 14.198 0.846 -0.622 322 1HB GLU 45 2HB GLU 45 14.658 2.943 -1.868 323 2HB GLU 45 3HB GLU 45 13.678 1.836 -2.807 324 1HG GLU 45 2HG GLU 45 11.682 3.104 -2.456 325 2HG GLU 45 3HG GLU 45 12.361 3.968 -1.090 326 H ASP 46 HN ASP 46 11.457 2.814 0.502 327 HA ASP 46 HA ASP 46 13.234 4.145 2.369 328 1HB ASP 46 2HB ASP 46 10.800 4.872 0.956 329 2HB ASP 46 3HB ASP 46 10.515 5.008 2.679 330 H CYS 47 HN CYS 47 11.303 4.691 4.424 331 HA CYS 47 HA CYS 47 10.156 3.825 6.103 332 1HB CYS 47 2HB CYS 47 8.893 2.463 4.419 333 2HB CYS 47 3HB CYS 47 10.058 1.172 4.631 334 H VAL 48 HN VAL 48 11.036 3.188 8.085 335 HA VAL 48 HA VAL 48 13.020 1.108 8.162 336 HB VAL 48 HB VAL 48 14.345 3.029 7.448 337 1HG1 VAL 48 1HG1 VAL 48 13.010 4.356 9.795 338 2HG1 VAL 48 2HG1 VAL 48 14.635 4.873 9.285 339 3HG1 VAL 48 3HG1 VAL 48 13.272 4.965 8.143 340 1HG2 VAL 48 1HG2 VAL 48 14.730 1.597 9.979 341 2HG2 VAL 48 2HG2 VAL 48 15.861 1.875 8.634 342 3HG2 VAL 48 3HG2 VAL 48 15.642 3.123 9.886 343 H GLY 49 HN GLY 49 10.413 1.206 9.181 344 1HA GLY 49 1HA GLY 49 9.529 0.489 11.168 345 2HA GLY 49 2HA GLY 49 10.979 0.987 12.018 346 H CYS 50 HN CYS 50 7.972 2.197 10.444 347 HA CYS 50 HA CYS 50 7.963 4.342 12.409 348 1HB CYS 50 2HB CYS 50 8.365 5.950 10.923 349 2HB CYS 50 3HB CYS 50 8.518 4.769 9.637 350 H LYS 51 HN LYS 51 6.087 3.937 13.532 351 HA LYS 51 HA LYS 51 3.985 2.431 12.310 352 1HB LYS 51 2HB LYS 51 2.888 2.812 14.558 353 2HB LYS 51 3HB LYS 51 4.411 1.948 14.578 354 1HG LYS 51 2HG LYS 51 5.560 3.692 15.595 355 2HG LYS 51 3HG LYS 51 4.586 4.932 14.828 356 1HD LYS 51 2HD LYS 51 2.633 4.046 16.337 357 2HD LYS 51 3HD LYS 51 3.889 3.237 17.253 358 1HE LYS 51 2HE LYS 51 4.781 5.225 18.072 359 2HE LYS 51 3HE LYS 51 4.361 6.136 16.635 360 1HZ LYS 51 1HZ LYS 51 2.839 5.711 18.994 361 2HZ LYS 51 2HZ LYS 51 2.697 6.880 17.864 362 3HZ LYS 51 3HZ LYS 51 1.971 5.434 17.639 363 H ARG 52 HN ARG 52 3.219 3.655 10.544 364 HA ARG 52 HA ARG 52 1.326 5.598 11.309 365 1HB ARG 52 2HB ARG 52 3.967 6.492 10.392 366 2HB ARG 52 3HB ARG 52 2.719 7.042 9.292 367 1HG ARG 52 2HG ARG 52 2.005 7.352 12.161 368 2HG ARG 52 3HG ARG 52 3.407 8.287 11.678 369 1HD ARG 52 2HD ARG 52 1.968 9.834 10.835 370 2HD ARG 52 3HD ARG 52 1.592 8.690 9.563 371 HE ARG 52 HE ARG 52 -0.441 8.163 10.636 372 1HH1 ARG 52 1HH1 ARG 52 -1.784 9.469 13.581 373 2HH1 ARG 52 2HH1 ARG 52 -2.102 8.526 12.163 374 1HH2 ARG 52 1HH2 ARG 52 0.329 10.363 13.930 375 2HH2 ARG 52 2HH2 ARG 52 1.588 10.087 12.773 376 H CYS 53 HN CYS 53 0.538 3.383 10.220 377 HA CYS 53 HA CYS 53 -0.378 4.081 7.651 378 1HB CYS 53 2HB CYS 53 0.623 2.102 6.440 379 2HB CYS 53 3HB CYS 53 1.727 3.423 6.768 380 H GLU 54 HN GLU 54 -1.668 3.563 10.053 381 HA GLU 54 HA GLU 54 -2.377 0.773 10.051 382 1HB GLU 54 2HB GLU 54 -3.663 1.334 12.087 383 2HB GLU 54 3HB GLU 54 -2.011 1.906 12.209 384 1HG GLU 54 2HG GLU 54 -3.509 4.014 10.974 385 2HG GLU 54 3HG GLU 54 -4.477 3.439 12.317 386 H THR 55 HN THR 55 -3.076 1.817 7.615 387 HA THR 55 HA THR 55 -5.946 1.585 7.703 388 HB THR 55 HB THR 55 -5.380 4.069 8.110 389 HG1 THR 55 1HG THR 55 -7.302 4.248 7.017 390 1HG2 THR 55 1HG2 THR 55 -3.468 4.278 6.508 391 2HG2 THR 55 2HG2 THR 55 -4.549 3.819 5.170 392 3HG2 THR 55 3HG2 THR 55 -4.809 5.350 6.040 393 H ALA 56 HN ALA 56 -3.445 0.181 6.705 394 HA ALA 56 HA ALA 56 -3.093 0.433 4.013 395 1HB ALA 56 1HB ALA 56 -2.840 -2.231 4.303 396 2HB ALA 56 2HB ALA 56 -1.647 -1.083 4.957 397 3HB ALA 56 3HB ALA 56 -2.894 -1.774 6.023 398 H CYS 57 HN CYS 57 -5.688 -1.336 5.796 399 HA CYS 57 HA CYS 57 -7.665 -0.847 4.021 400 1HB CYS 57 2HB CYS 57 -5.848 -2.614 2.764 401 2HB CYS 57 3HB CYS 57 -7.224 -3.596 3.226 402 HA PRO 58 HA PRO 58 -9.615 -3.119 7.182 403 1HB PRO 58 2HB PRO 58 -12.043 -3.740 6.092 404 2HB PRO 58 3HB PRO 58 -11.663 -2.160 6.749 405 1HG PRO 58 2HG PRO 58 -11.876 -2.988 3.919 406 2HG PRO 58 3HG PRO 58 -11.921 -1.373 4.596 407 1HD PRO 58 2HD PRO 58 -9.714 -2.604 3.240 408 2HD PRO 58 3HD PRO 58 -9.722 -1.034 4.020 409 H THR 59 HN THR 59 -7.715 -4.625 5.794 410 HA THR 59 HA THR 59 -7.081 -6.762 5.734 411 HB THR 59 HB THR 59 -9.838 -7.561 6.774 412 HG1 THR 59 1HG THR 59 -7.434 -6.606 8.162 413 1HG2 THR 59 1HG2 THR 59 -8.767 -9.454 7.606 414 2HG2 THR 59 2HG2 THR 59 -7.687 -9.151 6.224 415 3HG2 THR 59 3HG2 THR 59 -7.228 -8.594 7.852 416 H ASP 60 HN ASP 60 -9.439 -5.324 3.901 417 HA ASP 60 HA ASP 60 -10.776 -7.057 2.491 418 1HB ASP 60 2HB ASP 60 -9.529 -4.516 1.966 419 2HB ASP 60 3HB ASP 60 -9.283 -5.510 0.543 420 H PHE 61 HN PHE 61 -7.212 -6.669 2.496 421 HA PHE 61 HA PHE 61 -7.018 -9.149 0.963 422 1HB PHE 61 2HB PHE 61 -5.633 -6.441 0.570 423 2HB PHE 61 3HB PHE 61 -4.902 -7.910 -0.046 424 HD1 PHE 61 1HD PHE 61 -7.408 -5.383 -0.586 425 HD2 PHE 61 2HD PHE 61 -6.133 -9.251 -1.780 426 HE1 PHE 61 1HE PHE 61 -8.788 -5.192 -2.674 427 HE2 PHE 61 2HE PHE 61 -7.513 -9.060 -3.868 428 HZ PHE 61 HZ PHE 61 -8.825 -7.034 -4.290 429 H LEU 62 HN LEU 62 -4.271 -7.051 1.780 430 HA LEU 62 HA LEU 62 -2.409 -7.681 2.882 431 1HB LEU 62 2HB LEU 62 -4.418 -7.729 5.136 432 2HB LEU 62 3HB LEU 62 -2.695 -7.433 5.274 433 HG LEU 62 HG LEU 62 -3.746 -5.330 5.455 434 1HD1 LEU 62 1HD1 LEU 62 -1.742 -5.337 4.045 435 2HD1 LEU 62 2HD1 LEU 62 -2.756 -5.567 2.600 436 3HD1 LEU 62 3HD1 LEU 62 -2.889 -4.069 3.552 437 1HD2 LEU 62 1HD2 LEU 62 -5.134 -5.073 2.933 438 2HD2 LEU 62 2HD2 LEU 62 -5.763 -6.452 3.865 439 3HD2 LEU 62 3HD2 LEU 62 -5.729 -4.829 4.593 440 H SER 63 HN SER 63 -3.073 -9.329 5.581 441 HA SER 63 HA SER 63 -2.836 -11.382 6.241 442 1HB SER 63 2HB SER 63 -4.960 -11.546 4.608 443 2HB SER 63 3HB SER 63 -3.883 -12.570 3.679 444 HG SER 63 HG SER 63 -3.824 -13.181 6.398 445 H ILE 64 HN ILE 64 -2.164 -13.838 4.938 446 HA ILE 64 HA ILE 64 -0.450 -14.950 4.103 447 HB ILE 64 HB ILE 64 -0.010 -12.478 2.426 448 1HG1 ILE 64 2HG1 ILE 64 -1.334 -14.965 1.417 449 2HG1 ILE 64 3HG1 ILE 64 -2.272 -13.873 2.415 450 1HG2 ILE 64 1HG2 ILE 64 0.841 -15.200 1.547 451 2HG2 ILE 64 2HG2 ILE 64 1.516 -13.599 1.156 452 3HG2 ILE 64 3HG2 ILE 64 1.851 -14.345 2.738 453 1HD1 ILE 64 1HD1 ILE 64 -1.419 -11.977 0.852 454 2HD1 ILE 64 2HD1 ILE 64 -0.921 -13.291 -0.241 455 3HD1 ILE 64 3HD1 ILE 64 -2.635 -13.099 0.196 456 H ARG 65 HN ARG 65 1.025 -11.646 3.960 457 HA ARG 65 HA ARG 65 2.948 -12.654 5.896 458 1HB ARG 65 2HB ARG 65 3.213 -11.166 3.389 459 2HB ARG 65 3HB ARG 65 3.945 -10.261 4.699 460 1HG ARG 65 2HG ARG 65 4.573 -13.171 4.731 461 2HG ARG 65 3HG ARG 65 5.178 -12.323 3.323 462 1HD ARG 65 2HD ARG 65 6.930 -11.667 4.622 463 2HD ARG 65 3HD ARG 65 5.815 -10.568 5.409 464 HE ARG 65 HE ARG 65 5.743 -11.990 7.280 465 1HH1 ARG 65 1HH1 ARG 65 7.285 -15.077 7.802 466 2HH1 ARG 65 2HH1 ARG 65 6.423 -13.770 8.542 467 1HH2 ARG 65 1HH2 ARG 65 7.750 -15.020 5.529 468 2HH2 ARG 65 2HH2 ARG 65 7.235 -13.672 4.572 469 H VAL 66 HN VAL 66 3.662 -11.181 7.621 470 HA VAL 66 HA VAL 66 1.903 -8.859 7.979 471 HB VAL 66 HB VAL 66 1.188 -10.887 9.288 472 1HG1 VAL 66 1HG1 VAL 66 3.822 -10.376 10.711 473 2HG1 VAL 66 2HG1 VAL 66 2.507 -11.395 11.347 474 3HG1 VAL 66 3HG1 VAL 66 3.335 -11.850 9.838 475 1HG2 VAL 66 1HG2 VAL 66 1.826 -9.062 11.461 476 2HG2 VAL 66 2HG2 VAL 66 1.306 -8.183 10.003 477 3HG2 VAL 66 3HG2 VAL 66 0.256 -9.434 10.708 478 H TYR 67 HN TYR 67 2.986 -6.998 8.448 479 HA TYR 67 HA TYR 67 5.830 -7.307 9.138 480 1HB TYR 67 2HB TYR 67 4.146 -5.584 7.311 481 2HB TYR 67 3HB TYR 67 5.435 -4.733 8.140 482 HD1 TYR 67 HD1 TYR 67 4.898 -7.858 6.128 483 HD2 TYR 67 HD2 TYR 67 7.528 -4.637 7.132 484 HE1 TYR 67 HE1 TYR 67 6.560 -8.661 4.381 485 HE2 TYR 67 HE2 TYR 67 9.183 -5.451 5.382 486 HH TYR 67 HH TYR 67 8.349 -8.076 3.199 487 H LEU 68 HN LEU 68 3.145 -4.856 9.361 488 HA LEU 68 HA LEU 68 4.121 -3.306 11.322 489 1HB LEU 68 2HB LEU 68 1.322 -4.235 10.740 490 2HB LEU 68 3HB LEU 68 1.651 -3.109 12.043 491 HG LEU 68 HG LEU 68 2.236 -2.684 9.101 492 1HD1 LEU 68 1HD1 LEU 68 0.601 -0.640 10.019 493 2HD1 LEU 68 2HD1 LEU 68 0.106 -2.041 9.038 494 3HD1 LEU 68 3HD1 LEU 68 -0.049 -2.095 10.811 495 1HD2 LEU 68 1HD2 LEU 68 2.516 -0.252 10.460 496 2HD2 LEU 68 2HD2 LEU 68 3.411 -1.441 11.436 497 3HD2 LEU 68 3HD2 LEU 68 3.800 -1.231 9.712 498 H GLY 69 HN GLY 69 3.670 -3.188 13.697 499 1HA GLY 69 1HA GLY 69 3.981 -4.064 15.745 500 2HA GLY 69 2HA GLY 69 2.791 -5.258 15.272 501 H ALA 70 HN ALA 70 6.227 -4.554 14.288 502 HA ALA 70 HA ALA 70 7.279 -6.835 15.517 503 1HB ALA 70 1HB ALA 70 7.513 -7.469 12.684 504 2HB ALA 70 2HB ALA 70 6.974 -8.497 14.034 505 3HB ALA 70 3HB ALA 70 5.808 -7.447 13.195 506 H GLU 71 HN GLU 71 7.372 -4.517 12.763 507 HA GLU 71 HA GLU 71 9.987 -4.575 12.158 508 1HB GLU 71 2HB GLU 71 8.032 -2.258 12.325 509 2HB GLU 71 3HB GLU 71 9.668 -2.015 11.747 510 1HG GLU 71 2HG GLU 71 7.849 -4.167 10.586 511 2HG GLU 71 3HG GLU 71 7.859 -2.528 9.967 512 H THR 72 HN THR 72 8.763 -1.886 14.261 513 HA THR 72 HA THR 72 11.285 -2.083 15.757 514 HB THR 72 HB THR 72 10.698 0.047 14.479 515 HG1 THR 72 1HG THR 72 10.619 0.136 17.413 516 1HG2 THR 72 1HG2 THR 72 8.376 0.450 14.730 517 2HG2 THR 72 2HG2 THR 72 8.372 -0.092 16.426 518 3HG2 THR 72 3HG2 THR 72 9.063 1.493 15.999 519 H THR 73 HN THR 73 8.961 -3.894 16.150 520 HA THR 73 HA THR 73 7.711 -2.979 18.573 521 HB THR 73 HB THR 73 7.747 -5.712 17.187 522 HG1 THR 73 1HG THR 73 6.152 -3.257 17.068 523 1HG2 THR 73 1HG2 THR 73 5.480 -4.519 18.816 524 2HG2 THR 73 2HG2 THR 73 5.800 -6.227 18.432 525 3HG2 THR 73 3HG2 THR 73 6.791 -5.388 19.650 526 H ARG 74 HN ARG 74 9.937 -5.743 17.799 527 HA ARG 74 HA ARG 74 10.459 -6.062 20.559 528 1HB ARG 74 2HB ARG 74 11.988 -7.857 19.826 529 2HB ARG 74 3HB ARG 74 10.483 -7.968 18.935 530 1HG ARG 74 2HG ARG 74 12.039 -6.234 17.363 531 2HG ARG 74 3HG ARG 74 13.205 -7.406 17.946 532 1HD ARG 74 2HD ARG 74 11.282 -9.157 17.253 533 2HD ARG 74 3HD ARG 74 10.780 -7.848 16.201 534 HE ARG 74 HE ARG 74 13.187 -9.478 15.921 535 1HH1 ARG 74 1HH1 ARG 74 14.368 -7.648 13.196 536 2HH1 ARG 74 2HH1 ARG 74 14.537 -9.104 14.116 537 1HH2 ARG 74 1HH2 ARG 74 12.769 -6.076 13.795 538 2HH2 ARG 74 2HH2 ARG 74 11.746 -6.359 15.163 539 H SER 75 HN SER 75 11.665 -4.033 18.027 540 HA SER 75 HA SER 75 14.179 -3.678 19.447 541 1HB SER 75 2HB SER 75 13.735 -4.027 16.756 542 2HB SER 75 3HB SER 75 13.748 -2.277 16.851 543 HG SER 75 HG SER 75 15.875 -3.673 16.606 544 H MET 76 HN MET 76 11.394 -2.650 20.191 545 HA MET 76 HA MET 76 11.029 -0.042 19.564 546 1HB MET 76 2HB MET 76 10.148 -1.944 21.570 547 2HB MET 76 3HB MET 76 10.467 -0.428 22.389 548 1HG MET 76 2HG MET 76 8.891 -0.372 19.806 549 2HG MET 76 3HG MET 76 8.085 -0.903 21.270 550 1HE MET 76 1HE MET 76 6.520 0.609 20.988 551 2HE MET 76 2HE MET 76 6.543 1.927 22.183 552 3HE MET 76 3HE MET 76 6.742 2.292 20.453 553 H GLY 77 HN GLY 77 12.952 -1.372 22.348 554 1HA GLY 77 1HA GLY 77 15.115 -0.333 22.739 555 2HA GLY 77 2HA GLY 77 14.366 1.224 22.452 556 H LEU 78 HN LEU 78 12.737 -1.422 24.228 557 HA LEU 78 HA LEU 78 12.710 0.317 26.570 558 1HB LEU 78 2HB LEU 78 11.115 -2.204 26.208 559 2HB LEU 78 3HB LEU 78 10.801 -0.844 27.268 560 HG LEU 78 HG LEU 78 10.381 -1.049 24.292 561 1HD1 LEU 78 1HD1 LEU 78 8.656 -1.679 26.142 562 2HD1 LEU 78 2HD1 LEU 78 8.453 0.082 26.297 563 3HD1 LEU 78 3HD1 LEU 78 8.139 -0.716 24.736 564 1HD2 LEU 78 1HD2 LEU 78 10.143 1.560 25.787 565 2HD2 LEU 78 2HD2 LEU 78 11.634 1.086 24.940 566 3HD2 LEU 78 3HD2 LEU 78 10.113 1.266 24.032 567 H ALA 79 HN ALA 79 13.449 -3.078 25.556 568 HA ALA 79 HA ALA 79 15.444 -3.162 27.663 569 1HB ALA 79 1HB ALA 79 14.256 -5.657 27.903 570 2HB ALA 79 2HB ALA 79 14.048 -4.297 29.033 571 3HB ALA 79 3HB ALA 79 12.858 -4.568 27.737 572 H TYR 80 HN TYR 80 13.721 -4.923 25.001 573 HA TYR 80 HA TYR 80 15.490 -6.817 24.339 574 1HB TYR 80 2HB TYR 80 14.246 -4.760 22.412 575 2HB TYR 80 3HB TYR 80 14.615 -6.428 22.021 576 HD1 TYR 80 HD1 TYR 80 12.187 -4.158 23.469 577 HD2 TYR 80 HD2 TYR 80 13.265 -8.279 23.074 578 HE1 TYR 80 HE1 TYR 80 9.837 -4.847 24.153 579 HE2 TYR 80 HE2 TYR 80 10.912 -8.953 23.759 580 HH TYR 80 HH TYR 80 8.429 -7.289 23.549 Start of MODEL 25 1 H SER 1 HN SER 1 -4.502 -3.579 8.644 2 HA SER 1 HA SER 1 -4.260 -1.471 10.637 3 1HB SER 1 2HB SER 1 -5.179 -4.358 10.771 4 2HB SER 1 3HB SER 1 -4.646 -3.535 12.223 5 HG SER 1 HG SER 1 -6.783 -3.051 12.216 6 H HIS 2 HN HIS 2 -2.991 -4.793 9.837 7 HA HIS 2 HA HIS 2 -0.411 -3.880 10.884 8 1HB HIS 2 2HB HIS 2 -1.529 -5.501 12.388 9 2HB HIS 2 3HB HIS 2 -1.590 -6.664 11.079 10 HD1 HIS 2 HD1 HIS 2 0.029 -8.432 11.852 11 HD2 HIS 2 HD2 HIS 2 1.627 -4.562 12.122 12 HE1 HIS 2 HE1 HIS 2 2.482 -8.715 12.498 13 H SER 3 HN SER 3 1.481 -5.136 9.906 14 HA SER 3 HA SER 3 2.650 -5.620 8.141 15 1HB SER 3 2HB SER 3 1.954 -7.459 6.773 16 2HB SER 3 3HB SER 3 1.236 -7.731 8.347 17 HG SER 3 HG SER 3 -0.529 -6.244 6.949 18 H VAL 4 HN VAL 4 2.802 -5.419 5.614 19 HA VAL 4 HA VAL 4 0.833 -4.002 4.222 20 HB VAL 4 HB VAL 4 1.461 -2.243 5.853 21 1HG1 VAL 4 1HG1 VAL 4 4.135 -2.118 4.439 22 2HG1 VAL 4 2HG1 VAL 4 3.605 -1.226 5.885 23 3HG1 VAL 4 3HG1 VAL 4 3.895 -2.980 5.978 24 1HG2 VAL 4 1HG2 VAL 4 0.598 -1.132 4.085 25 2HG2 VAL 4 2HG2 VAL 4 2.282 -0.620 3.822 26 3HG2 VAL 4 3HG2 VAL 4 1.617 -1.997 2.909 27 H LYS 5 HN LYS 5 2.235 -6.293 3.663 28 HA LYS 5 HA LYS 5 4.647 -5.817 2.284 29 1HB LYS 5 2HB LYS 5 2.814 -8.070 2.780 30 2HB LYS 5 3HB LYS 5 3.645 -8.155 1.240 31 1HG LYS 5 2HG LYS 5 5.713 -7.378 2.895 32 2HG LYS 5 3HG LYS 5 4.752 -8.335 4.004 33 1HD LYS 5 2HD LYS 5 6.157 -9.959 3.037 34 2HD LYS 5 3HD LYS 5 4.693 -10.126 2.088 35 1HE LYS 5 2HE LYS 5 5.716 -9.414 0.172 36 2HE LYS 5 3HE LYS 5 6.492 -8.067 0.980 37 1HZ LYS 5 1HZ LYS 5 8.068 -9.713 1.905 38 2HZ LYS 5 2HZ LYS 5 7.411 -10.852 0.936 39 3HZ LYS 5 3HZ LYS 5 8.153 -9.553 0.282 40 H ILE 6 HN ILE 6 4.635 -6.726 -0.206 41 HA ILE 6 HA ILE 6 3.144 -4.692 -1.590 42 HB ILE 6 HB ILE 6 5.228 -6.708 -2.401 43 1HG1 ILE 6 2HG1 ILE 6 6.162 -4.212 -3.022 44 2HG1 ILE 6 3HG1 ILE 6 5.203 -3.864 -1.596 45 1HG2 ILE 6 1HG2 ILE 6 3.304 -5.291 -4.083 46 2HG2 ILE 6 2HG2 ILE 6 4.996 -4.943 -4.513 47 3HG2 ILE 6 3HG2 ILE 6 4.415 -6.625 -4.475 48 1HD1 ILE 6 1HD1 ILE 6 6.402 -5.595 -0.310 49 2HD1 ILE 6 2HD1 ILE 6 7.323 -6.055 -1.761 50 3HD1 ILE 6 3HD1 ILE 6 7.563 -4.453 -1.026 51 H TYR 7 HN TYR 7 0.981 -5.106 -1.776 52 HA TYR 7 HA TYR 7 0.300 -7.635 -3.099 53 1HB TYR 7 2HB TYR 7 -1.128 -6.152 -0.803 54 2HB TYR 7 3HB TYR 7 -1.744 -7.603 -1.568 55 HD1 TYR 7 HD1 TYR 7 0.672 -9.297 -1.756 56 HD2 TYR 7 HD2 TYR 7 -0.661 -6.745 1.407 57 HE1 TYR 7 HE1 TYR 7 1.937 -10.717 -0.068 58 HE2 TYR 7 HE2 TYR 7 0.608 -8.173 3.085 59 HH TYR 7 HH TYR 7 1.358 -10.665 3.122 60 H ASP 8 HN ASP 8 -1.557 -7.539 -4.489 61 HA ASP 8 HA ASP 8 -1.959 -4.878 -5.481 62 1HB ASP 8 2HB ASP 8 -3.453 -6.288 -7.159 63 2HB ASP 8 3HB ASP 8 -1.705 -6.345 -7.277 64 H THR 9 HN THR 9 -3.063 -5.304 -2.869 65 HA THR 9 HA THR 9 -5.914 -5.789 -3.314 66 HB THR 9 HB THR 9 -4.691 -6.977 -1.462 67 HG1 THR 9 1HG THR 9 -6.414 -4.831 -0.472 68 1HG2 THR 9 1HG2 THR 9 -4.589 -4.295 -0.037 69 2HG2 THR 9 2HG2 THR 9 -3.762 -5.813 0.389 70 3HG2 THR 9 3HG2 THR 9 -3.190 -4.844 -0.991 71 H CYS 10 HN CYS 10 -6.724 -3.993 -4.338 72 HA CYS 10 HA CYS 10 -6.943 -1.688 -2.642 73 1HB CYS 10 2HB CYS 10 -4.796 -1.356 -3.982 74 2HB CYS 10 3HB CYS 10 -5.800 -1.262 -5.415 75 H ILE 11 HN ILE 11 -8.981 -0.763 -2.968 76 HA ILE 11 HA ILE 11 -10.537 -1.940 -5.150 77 HB ILE 11 HB ILE 11 -12.483 -1.410 -3.843 78 1HG1 ILE 11 2HG1 ILE 11 -11.806 -0.617 -1.351 79 2HG1 ILE 11 3HG1 ILE 11 -10.565 0.221 -2.262 80 1HG2 ILE 11 1HG2 ILE 11 -12.209 -2.981 -2.077 81 2HG2 ILE 11 2HG2 ILE 11 -11.162 -3.509 -3.416 82 3HG2 ILE 11 3HG2 ILE 11 -10.455 -2.692 -2.001 83 1HD1 ILE 11 1HD1 ILE 11 -13.565 0.374 -2.815 84 2HD1 ILE 11 2HD1 ILE 11 -12.584 1.631 -2.023 85 3HD1 ILE 11 3HD1 ILE 11 -12.302 1.229 -3.733 86 H GLY 12 HN GLY 12 -8.904 0.923 -4.127 87 1HA GLY 12 1HA GLY 12 -8.690 2.577 -5.913 88 2HA GLY 12 2HA GLY 12 -10.427 2.493 -6.122 89 H CYS 13 HN CYS 13 -8.780 2.373 -2.935 90 HA CYS 13 HA CYS 13 -10.062 4.935 -2.339 91 1HB CYS 13 2HB CYS 13 -10.870 3.990 -0.491 92 2HB CYS 13 3HB CYS 13 -10.189 2.455 -0.987 93 H THR 14 HN THR 14 -8.748 6.136 -0.478 94 HA THR 14 HA THR 14 -5.867 5.760 -0.897 95 HB THR 14 HB THR 14 -5.646 8.209 -1.241 96 HG1 THR 14 1HG THR 14 -7.643 9.428 -1.214 97 1HG2 THR 14 1HG2 THR 14 -7.906 7.898 -3.098 98 2HG2 THR 14 2HG2 THR 14 -6.174 8.076 -3.465 99 3HG2 THR 14 3HG2 THR 14 -6.850 6.466 -3.120 100 H GLN 15 HN GLN 15 -5.933 4.668 1.165 101 HA GLN 15 HA GLN 15 -6.187 6.623 3.315 102 1HB GLN 15 2HB GLN 15 -7.065 4.911 4.788 103 2HB GLN 15 3HB GLN 15 -8.037 4.918 3.330 104 1HG GLN 15 2HG GLN 15 -6.606 3.018 2.435 105 2HG GLN 15 3HG GLN 15 -5.777 2.967 3.978 106 1HE2 GLN 15 1HE2 GLN 15 -6.457 0.869 4.353 107 2HE2 GLN 15 2HE2 GLN 15 -8.071 0.465 4.833 108 H CYS 16 HN CYS 16 -4.634 3.583 2.128 109 HA CYS 16 HA CYS 16 -2.574 3.829 4.129 110 1HB CYS 16 2HB CYS 16 -1.864 1.692 3.493 111 2HB CYS 16 3HB CYS 16 -3.606 1.621 3.316 112 H VAL 17 HN VAL 17 -3.137 5.865 1.866 113 HA VAL 17 HA VAL 17 -0.416 5.820 0.759 114 HB VAL 17 HB VAL 17 -2.796 6.959 -0.687 115 1HG1 VAL 17 1HG1 VAL 17 -0.280 5.811 -1.894 116 2HG1 VAL 17 2HG1 VAL 17 -1.414 7.003 -2.573 117 3HG1 VAL 17 3HG1 VAL 17 -0.318 7.472 -1.252 118 1HG2 VAL 17 1HG2 VAL 17 -1.980 4.098 -0.426 119 2HG2 VAL 17 2HG2 VAL 17 -3.591 4.815 -0.674 120 3HG2 VAL 17 3HG2 VAL 17 -2.457 4.678 -2.040 121 H ARG 18 HN ARG 18 -2.219 7.134 3.089 122 HA ARG 18 HA ARG 18 -1.254 9.817 2.494 123 1HB ARG 18 2HB ARG 18 -3.877 8.889 3.302 124 2HB ARG 18 3HB ARG 18 -3.228 9.867 4.603 125 1HG ARG 18 2HG ARG 18 -4.320 11.439 3.192 126 2HG ARG 18 3HG ARG 18 -2.623 11.618 2.791 127 1HD ARG 18 2HD ARG 18 -3.067 9.861 0.908 128 2HD ARG 18 3HD ARG 18 -4.770 10.154 1.203 129 HE ARG 18 HE ARG 18 -4.570 12.242 0.162 130 1HH1 ARG 18 1HH1 ARG 18 -1.747 13.969 -0.944 131 2HH1 ARG 18 2HH1 ARG 18 -3.478 13.918 -0.943 132 1HH2 ARG 18 1HH2 ARG 18 -0.537 12.337 0.176 133 2HH2 ARG 18 2HH2 ARG 18 -1.364 11.066 1.013 134 H ALA 19 HN ALA 19 -2.060 7.472 5.157 135 HA ALA 19 HA ALA 19 -0.485 8.878 7.068 136 1HB ALA 19 1HB ALA 19 -2.123 7.692 8.142 137 2HB ALA 19 2HB ALA 19 -2.139 6.399 6.919 138 3HB ALA 19 3HB ALA 19 -0.866 6.431 8.163 139 H CYS 20 HN CYS 20 1.599 9.121 6.083 140 HA CYS 20 HA CYS 20 3.343 7.005 6.664 141 1HB CYS 20 2HB CYS 20 2.409 6.063 4.563 142 2HB CYS 20 3HB CYS 20 2.930 7.494 3.696 143 HA PRO 21 HA PRO 21 5.126 11.116 6.610 144 1HB PRO 21 2HB PRO 21 6.604 10.851 8.893 145 2HB PRO 21 3HB PRO 21 4.962 11.464 8.880 146 1HG PRO 21 2HG PRO 21 5.943 8.811 9.739 147 2HG PRO 21 3HG PRO 21 4.415 9.587 10.105 148 1HD PRO 21 2HD PRO 21 4.861 7.483 8.206 149 2HD PRO 21 3HD PRO 21 3.358 8.339 8.489 150 H LEU 22 HN LEU 22 5.935 9.264 4.793 151 HA LEU 22 HA LEU 22 8.772 9.829 4.848 152 1HB LEU 22 2HB LEU 22 7.611 7.081 5.073 153 2HB LEU 22 3HB LEU 22 9.077 7.318 4.140 154 HG LEU 22 HG LEU 22 9.184 8.589 6.785 155 1HD1 LEU 22 1HD1 LEU 22 7.835 6.797 7.557 156 2HD1 LEU 22 2HD1 LEU 22 8.726 5.607 6.578 157 3HD1 LEU 22 3HD1 LEU 22 9.516 6.384 7.970 158 1HD2 LEU 22 1HD2 LEU 22 11.355 8.307 6.426 159 2HD2 LEU 22 2HD2 LEU 22 11.159 6.545 6.276 160 3HD2 LEU 22 3HD2 LEU 22 10.953 7.588 4.848 161 H ASP 23 HN ASP 23 7.725 7.229 2.801 162 HA ASP 23 HA ASP 23 6.576 8.799 0.789 163 1HB ASP 23 2HB ASP 23 9.260 7.746 -0.081 164 2HB ASP 23 3HB ASP 23 8.326 9.068 -0.750 165 H VAL 24 HN VAL 24 6.011 6.339 2.193 166 HA VAL 24 HA VAL 24 6.654 4.268 0.227 167 HB VAL 24 HB VAL 24 5.423 3.927 2.959 168 1HG1 VAL 24 1HG1 VAL 24 6.802 2.071 1.002 169 2HG1 VAL 24 2HG1 VAL 24 6.527 1.647 2.709 170 3HG1 VAL 24 3HG1 VAL 24 5.142 1.972 1.639 171 1HG2 VAL 24 1HG2 VAL 24 7.472 3.873 4.000 172 2HG2 VAL 24 2HG2 VAL 24 8.348 3.462 2.506 173 3HG2 VAL 24 3HG2 VAL 24 7.779 5.127 2.776 174 H LEU 25 HN LEU 25 4.783 2.641 -0.137 175 HA LEU 25 HA LEU 25 2.756 2.227 -0.904 176 1HB LEU 25 2HB LEU 25 1.864 4.476 0.906 177 2HB LEU 25 3HB LEU 25 0.810 3.316 0.121 178 HG LEU 25 HG LEU 25 2.826 1.902 1.619 179 1HD1 LEU 25 1HD1 LEU 25 2.046 2.638 3.904 180 2HD1 LEU 25 2HD1 LEU 25 3.108 3.779 3.043 181 3HD1 LEU 25 3HD1 LEU 25 1.355 4.077 3.119 182 1HD2 LEU 25 1HD2 LEU 25 0.172 1.604 0.914 183 2HD2 LEU 25 2HD2 LEU 25 1.101 0.540 1.997 184 3HD2 LEU 25 3HD2 LEU 25 0.102 1.849 2.676 185 H GLU 26 HN GLU 26 3.894 3.048 -2.917 186 HA GLU 26 HA GLU 26 2.652 5.540 -3.779 187 1HB GLU 26 2HB GLU 26 5.132 4.141 -4.878 188 2HB GLU 26 3HB GLU 26 4.482 5.657 -5.467 189 1HG GLU 26 2HG GLU 26 4.983 5.534 -2.519 190 2HG GLU 26 3HG GLU 26 6.415 5.475 -3.528 191 H MET 27 HN MET 27 2.929 5.261 -6.567 192 HA MET 27 HA MET 27 0.861 3.324 -7.021 193 1HB MET 27 2HB MET 27 0.871 4.408 -9.335 194 2HB MET 27 3HB MET 27 0.609 5.546 -8.027 195 1HG MET 27 2HG MET 27 2.532 6.680 -8.500 196 2HG MET 27 3HG MET 27 3.478 5.207 -8.552 197 1HE MET 27 1HE MET 27 4.978 5.779 -10.435 198 2HE MET 27 2HE MET 27 4.346 4.136 -10.695 199 3HE MET 27 3HE MET 27 4.498 5.259 -12.068 200 H VAL 28 HN VAL 28 1.094 1.365 -8.063 201 HA VAL 28 HA VAL 28 3.688 0.881 -9.351 202 HB VAL 28 HB VAL 28 3.981 -1.109 -8.267 203 1HG1 VAL 28 1HG1 VAL 28 3.447 -0.791 -5.833 204 2HG1 VAL 28 2HG1 VAL 28 4.244 0.602 -6.602 205 3HG1 VAL 28 3HG1 VAL 28 2.493 0.642 -6.286 206 1HG2 VAL 28 1HG2 VAL 28 1.789 -2.066 -8.873 207 2HG2 VAL 28 2HG2 VAL 28 2.238 -2.443 -7.191 208 3HG2 VAL 28 3HG2 VAL 28 1.035 -1.175 -7.529 209 HA PRO 29 HA PRO 29 1.382 -0.793 -12.604 210 1HB PRO 29 2HB PRO 29 2.770 -3.005 -13.414 211 2HB PRO 29 3HB PRO 29 3.252 -1.369 -13.820 212 1HG PRO 29 2HG PRO 29 4.438 -3.212 -11.836 213 2HG PRO 29 3HG PRO 29 5.136 -1.774 -12.554 214 1HD PRO 29 2HD PRO 29 4.044 -2.016 -9.914 215 2HD PRO 29 3HD PRO 29 4.635 -0.552 -10.673 216 H TRP 30 HN TRP 30 -0.656 -1.464 -12.471 217 HA TRP 30 HA TRP 30 -0.963 -4.193 -11.451 218 1HB TRP 30 2HB TRP 30 -1.438 -2.736 -9.578 219 2HB TRP 30 3HB TRP 30 -2.539 -1.777 -10.548 220 HD1 TRP 30 HD1 TRP 30 -5.016 -2.395 -10.038 221 HE1 TRP 30 HE1 TRP 30 -6.430 -4.501 -9.310 222 HE3 TRP 30 HE3 TRP 30 -1.096 -5.631 -9.888 223 HZ2 TRP 30 HZ2 TRP 30 -5.766 -7.222 -8.765 224 HZ3 TRP 30 HZ3 TRP 30 -1.566 -7.995 -9.249 225 HH2 TRP 30 HH2 TRP 30 -3.805 -8.806 -8.699 226 H ASP 31 HN ASP 31 -3.418 -4.850 -11.970 227 HA ASP 31 HA ASP 31 -4.186 -3.601 -14.474 228 1HB ASP 31 2HB ASP 31 -2.805 -5.896 -14.589 229 2HB ASP 31 3HB ASP 31 -4.355 -6.605 -14.185 230 H GLY 32 HN GLY 32 -5.613 -2.818 -12.419 231 1HA GLY 32 1HA GLY 32 -8.097 -4.323 -12.559 232 2HA GLY 32 2HA GLY 32 -7.352 -4.233 -10.976 233 H CYS 33 HN CYS 33 -6.124 -1.555 -11.396 234 HA CYS 33 HA CYS 33 -8.401 -0.031 -10.639 235 1HB CYS 33 2HB CYS 33 -5.607 0.141 -10.261 236 2HB CYS 33 3HB CYS 33 -6.048 1.579 -11.161 237 HG CYS 33 HG CYS 33 -5.995 1.797 -8.419 238 H LYS 34 HN LYS 34 -8.642 2.278 -11.740 239 HA LYS 34 HA LYS 34 -9.369 1.819 -14.416 240 1HB LYS 34 2HB LYS 34 -10.039 3.627 -12.467 241 2HB LYS 34 3HB LYS 34 -9.074 4.622 -13.540 242 1HG LYS 34 2HG LYS 34 -11.303 2.814 -14.568 243 2HG LYS 34 3HG LYS 34 -11.601 4.466 -14.060 244 1HD LYS 34 2HD LYS 34 -9.304 4.472 -15.816 245 2HD LYS 34 3HD LYS 34 -10.570 3.536 -16.586 246 1HE LYS 34 2HE LYS 34 -11.244 6.212 -15.327 247 2HE LYS 34 3HE LYS 34 -10.496 6.165 -16.911 248 1HZ LYS 34 1HZ LYS 34 -12.293 5.063 -17.790 249 2HZ LYS 34 2HZ LYS 34 -12.834 4.510 -16.352 250 3HZ LYS 34 3HZ LYS 34 -13.017 6.086 -16.741 251 H ALA 35 HN ALA 35 -6.411 2.921 -12.835 252 HA ALA 35 HA ALA 35 -5.320 3.590 -15.480 253 1HB ALA 35 1HB ALA 35 -5.381 5.337 -13.592 254 2HB ALA 35 2HB ALA 35 -4.151 4.338 -12.783 255 3HB ALA 35 3HB ALA 35 -3.807 5.054 -14.374 256 H GLY 36 HN GLY 36 -5.786 0.882 -14.057 257 1HA GLY 36 1HA GLY 36 -4.644 -1.013 -13.591 258 2HA GLY 36 2HA GLY 36 -3.714 -0.561 -15.006 259 H GLN 37 HN GLN 37 -3.943 0.790 -11.633 260 HA GLN 37 HA GLN 37 -1.212 0.013 -11.200 261 1HB GLN 37 2HB GLN 37 -0.579 2.371 -10.499 262 2HB GLN 37 3HB GLN 37 -0.796 2.148 -12.224 263 1HG GLN 37 2HG GLN 37 -2.311 3.833 -12.203 264 2HG GLN 37 3HG GLN 37 -3.376 2.814 -11.256 265 1HE2 GLN 37 1HE2 GLN 37 -3.845 3.341 -9.240 266 2HE2 GLN 37 2HE2 GLN 37 -3.102 4.596 -8.305 267 H ILE 38 HN ILE 38 -1.129 -0.828 -9.163 268 HA ILE 38 HA ILE 38 -3.270 -0.086 -7.333 269 HB ILE 38 HB ILE 38 -2.609 -2.484 -7.996 270 1HG1 ILE 38 2HG1 ILE 38 -2.742 -2.857 -5.224 271 2HG1 ILE 38 3HG1 ILE 38 -3.534 -1.316 -5.494 272 1HG2 ILE 38 1HG2 ILE 38 -0.303 -2.593 -7.743 273 2HG2 ILE 38 2HG2 ILE 38 -0.325 -1.710 -6.198 274 3HG2 ILE 38 3HG2 ILE 38 -0.907 -3.391 -6.271 275 1HD1 ILE 38 1HD1 ILE 38 -5.014 -3.421 -5.666 276 2HD1 ILE 38 2HD1 ILE 38 -5.125 -2.267 -7.015 277 3HD1 ILE 38 3HD1 ILE 38 -4.171 -3.758 -7.196 278 H ALA 39 HN ALA 39 -2.897 0.769 -5.254 279 HA ALA 39 HA ALA 39 -0.473 2.306 -5.081 280 1HB ALA 39 1HB ALA 39 -2.396 3.477 -4.415 281 2HB ALA 39 2HB ALA 39 -3.053 2.086 -3.521 282 3HB ALA 39 3HB ALA 39 -1.669 2.991 -2.865 283 H SER 40 HN SER 40 1.346 1.142 -4.575 284 HA SER 40 HA SER 40 1.348 -0.078 -1.993 285 1HB SER 40 2HB SER 40 1.515 -1.676 -4.529 286 2HB SER 40 3HB SER 40 2.610 -2.126 -3.237 287 HG SER 40 HG SER 40 0.090 -1.709 -2.214 288 H SER 41 HN SER 41 3.809 -1.174 -1.815 289 HA SER 41 HA SER 41 5.477 1.068 -2.185 290 1HB SER 41 2HB SER 41 6.908 -0.009 -0.739 291 2HB SER 41 3HB SER 41 5.459 -0.927 -0.383 292 HG SER 41 HG SER 41 6.312 -2.342 -2.299 293 HA PRO 42 HA PRO 42 6.969 -0.108 -6.124 294 1HB PRO 42 2HB PRO 42 8.889 1.813 -6.429 295 2HB PRO 42 3HB PRO 42 7.193 2.089 -6.776 296 1HG PRO 42 2HG PRO 42 8.783 3.009 -4.460 297 2HG PRO 42 3HG PRO 42 7.243 3.608 -5.041 298 1HD PRO 42 2HD PRO 42 7.678 1.909 -2.771 299 2HD PRO 42 3HD PRO 42 6.131 2.414 -3.421 300 H ARG 43 HN ARG 43 9.530 0.788 -3.853 301 HA ARG 43 HA ARG 43 10.710 -1.778 -4.503 302 1HB ARG 43 2HB ARG 43 12.311 0.821 -4.295 303 2HB ARG 43 3HB ARG 43 12.962 -0.764 -4.658 304 1HG ARG 43 2HG ARG 43 10.854 -0.334 -6.538 305 2HG ARG 43 3HG ARG 43 11.747 1.172 -6.466 306 1HD ARG 43 2HD ARG 43 13.101 0.112 -8.002 307 2HD ARG 43 3HD ARG 43 13.854 -0.546 -6.563 308 HE ARG 43 HE ARG 43 11.563 -2.109 -7.550 309 1HH1 ARG 43 1HH1 ARG 43 13.617 -4.734 -8.583 310 2HH1 ARG 43 2HH1 ARG 43 11.987 -4.230 -8.287 311 1HH2 ARG 43 1HH2 ARG 43 15.371 -3.255 -8.230 312 2HH2 ARG 43 2HH2 ARG 43 15.049 -1.648 -7.671 313 H THR 44 HN THR 44 9.258 -0.047 -2.214 314 HA THR 44 HA THR 44 9.363 0.175 0.002 315 HB THR 44 HB THR 44 10.999 -2.404 -0.252 316 HG1 THR 44 1HG THR 44 8.949 -2.437 -1.399 317 1HG2 THR 44 1HG2 THR 44 9.746 -2.961 1.887 318 2HG2 THR 44 2HG2 THR 44 10.924 -1.642 2.090 319 3HG2 THR 44 3HG2 THR 44 9.190 -1.271 1.944 320 H GLU 45 HN GLU 45 11.718 1.177 -1.809 321 HA GLU 45 HA GLU 45 14.048 1.081 -0.441 322 1HB GLU 45 2HB GLU 45 14.620 3.197 -1.574 323 2HB GLU 45 3HB GLU 45 13.776 2.118 -2.666 324 1HG GLU 45 2HG GLU 45 11.720 3.353 -2.480 325 2HG GLU 45 3HG GLU 45 12.271 4.218 -1.059 326 H ASP 46 HN ASP 46 11.094 2.917 0.301 327 HA ASP 46 HA ASP 46 12.506 4.318 2.401 328 1HB ASP 46 2HB ASP 46 10.126 4.796 0.766 329 2HB ASP 46 3HB ASP 46 9.732 4.952 2.466 330 H CYS 47 HN CYS 47 10.334 4.631 4.245 331 HA CYS 47 HA CYS 47 9.030 3.598 5.721 332 1HB CYS 47 2HB CYS 47 8.249 2.036 3.944 333 2HB CYS 47 3HB CYS 47 9.591 0.970 4.307 334 H VAL 48 HN VAL 48 10.435 4.110 7.436 335 HA VAL 48 HA VAL 48 12.589 2.178 7.936 336 HB VAL 48 HB VAL 48 13.571 3.985 9.308 337 1HG1 VAL 48 1HG1 VAL 48 13.034 4.975 6.497 338 2HG1 VAL 48 2HG1 VAL 48 14.494 5.203 7.489 339 3HG1 VAL 48 3HG1 VAL 48 14.095 3.591 6.849 340 1HG2 VAL 48 1HG2 VAL 48 11.436 5.773 8.103 341 2HG2 VAL 48 2HG2 VAL 48 11.412 5.167 9.776 342 3HG2 VAL 48 3HG2 VAL 48 12.727 6.239 9.236 343 H GLY 49 HN GLY 49 9.770 1.643 8.502 344 1HA GLY 49 1HA GLY 49 8.500 0.836 10.170 345 2HA GLY 49 2HA GLY 49 9.972 0.672 11.106 346 H CYS 50 HN CYS 50 7.400 3.010 10.140 347 HA CYS 50 HA CYS 50 8.100 4.591 12.498 348 1HB CYS 50 2HB CYS 50 7.223 6.475 11.467 349 2HB CYS 50 3HB CYS 50 7.957 5.627 10.121 350 H LYS 51 HN LYS 51 5.633 2.621 10.844 351 HA LYS 51 HA LYS 51 3.767 1.686 11.570 352 1HB LYS 51 2HB LYS 51 4.651 2.645 14.308 353 2HB LYS 51 3HB LYS 51 3.307 1.559 14.015 354 1HG LYS 51 2HG LYS 51 4.733 -0.198 13.939 355 2HG LYS 51 3HG LYS 51 5.538 0.509 12.552 356 1HD LYS 51 2HD LYS 51 7.223 1.501 13.848 357 2HD LYS 51 3HD LYS 51 6.210 1.621 15.272 358 1HE LYS 51 2HE LYS 51 7.051 -1.095 14.191 359 2HE LYS 51 3HE LYS 51 8.114 -0.181 15.243 360 1HZ LYS 51 1HZ LYS 51 6.776 -1.592 16.556 361 2HZ LYS 51 2HZ LYS 51 6.250 -0.071 16.826 362 3HZ LYS 51 3HZ LYS 51 5.389 -1.074 15.868 363 H ARG 52 HN ARG 52 3.147 3.676 10.126 364 HA ARG 52 HA ARG 52 1.401 5.334 11.765 365 1HB ARG 52 2HB ARG 52 3.131 5.995 9.375 366 2HB ARG 52 3HB ARG 52 1.627 6.876 9.565 367 1HG ARG 52 2HG ARG 52 3.178 6.663 12.084 368 2HG ARG 52 3HG ARG 52 4.042 7.505 10.813 369 1HD ARG 52 2HD ARG 52 2.839 9.353 11.379 370 2HD ARG 52 3HD ARG 52 1.461 8.580 10.621 371 HE ARG 52 HE ARG 52 1.943 7.763 13.412 372 1HH1 ARG 52 1HH1 ARG 52 -0.945 9.380 14.519 373 2HH1 ARG 52 2HH1 ARG 52 0.318 8.270 14.936 374 1HH2 ARG 52 1HH2 ARG 52 -0.986 10.351 12.412 375 2HH2 ARG 52 2HH2 ARG 52 0.246 9.967 11.256 376 H CYS 53 HN CYS 53 1.933 3.715 8.572 377 HA CYS 53 HA CYS 53 -0.357 4.200 7.285 378 1HB CYS 53 2HB CYS 53 -0.147 1.648 6.581 379 2HB CYS 53 3HB CYS 53 1.014 2.850 6.052 380 H GLU 54 HN GLU 54 0.040 1.181 9.285 381 HA GLU 54 HA GLU 54 -1.515 -0.097 10.183 382 1HB GLU 54 2HB GLU 54 -1.648 2.578 11.527 383 2HB GLU 54 3HB GLU 54 -2.899 1.428 11.956 384 1HG GLU 54 2HG GLU 54 -1.446 0.333 13.304 385 2HG GLU 54 3HG GLU 54 -0.425 -0.024 11.925 386 H THR 55 HN THR 55 -2.364 1.077 7.602 387 HA THR 55 HA THR 55 -5.221 0.659 7.950 388 HB THR 55 HB THR 55 -4.880 3.132 8.175 389 HG1 THR 55 1HG THR 55 -6.236 3.542 6.165 390 1HG2 THR 55 1HG2 THR 55 -4.128 3.300 5.269 391 2HG2 THR 55 2HG2 THR 55 -3.749 4.421 6.600 392 3HG2 THR 55 3HG2 THR 55 -2.811 2.920 6.404 393 H ALA 56 HN ALA 56 -2.968 -0.925 6.909 394 HA ALA 56 HA ALA 56 -2.948 -0.766 4.099 395 1HB ALA 56 1HB ALA 56 -2.436 -3.435 5.071 396 2HB ALA 56 2HB ALA 56 -1.282 -2.231 4.448 397 3HB ALA 56 3HB ALA 56 -1.696 -2.255 6.178 398 H CYS 57 HN CYS 57 -5.280 -0.449 3.665 399 HA CYS 57 HA CYS 57 -7.259 -1.148 3.027 400 1HB CYS 57 2HB CYS 57 -5.450 -3.179 2.173 401 2HB CYS 57 3HB CYS 57 -6.909 -3.984 2.716 402 HA PRO 58 HA PRO 58 -9.363 -3.012 6.367 403 1HB PRO 58 2HB PRO 58 -11.403 -4.479 5.295 404 2HB PRO 58 3HB PRO 58 -11.451 -2.734 5.441 405 1HG PRO 58 2HG PRO 58 -11.014 -4.380 3.025 406 2HG PRO 58 3HG PRO 58 -11.485 -2.696 3.135 407 1HD PRO 58 2HD PRO 58 -8.883 -3.712 2.483 408 2HD PRO 58 3HD PRO 58 -9.326 -2.031 2.707 409 H THR 59 HN THR 59 -7.484 -4.875 4.484 410 HA THR 59 HA THR 59 -6.368 -6.749 4.989 411 HB THR 59 HB THR 59 -8.145 -7.182 7.425 412 HG1 THR 59 1HG THR 59 -7.469 -5.085 7.808 413 1HG2 THR 59 1HG2 THR 59 -6.052 -7.985 8.425 414 2HG2 THR 59 2HG2 THR 59 -6.272 -8.824 6.871 415 3HG2 THR 59 3HG2 THR 59 -5.127 -7.468 6.995 416 H ASP 60 HN ASP 60 -9.616 -6.415 4.236 417 HA ASP 60 HA ASP 60 -10.688 -8.873 4.391 418 1HB ASP 60 2HB ASP 60 -11.152 -6.474 2.931 419 2HB ASP 60 3HB ASP 60 -11.150 -7.749 1.728 420 H PHE 61 HN PHE 61 -7.945 -7.767 2.491 421 HA PHE 61 HA PHE 61 -7.972 -10.285 0.981 422 1HB PHE 61 2HB PHE 61 -6.745 -7.506 0.489 423 2HB PHE 61 3HB PHE 61 -6.387 -8.886 -0.531 424 HD1 PHE 61 1HD PHE 61 -8.354 -10.014 -1.730 425 HD2 PHE 61 2HD PHE 61 -8.627 -6.181 0.071 426 HE1 PHE 61 1HE PHE 61 -10.368 -9.497 -3.136 427 HE2 PHE 61 2HE PHE 61 -10.642 -5.664 -1.335 428 HZ PHE 61 HZ PHE 61 -11.488 -7.329 -2.922 429 H LEU 62 HN LEU 62 -5.493 -7.803 1.940 430 HA LEU 62 HA LEU 62 -3.557 -9.859 2.336 431 1HB LEU 62 2HB LEU 62 -2.030 -8.170 2.527 432 2HB LEU 62 3HB LEU 62 -3.245 -7.454 1.486 433 HG LEU 62 HG LEU 62 -4.185 -6.553 3.821 434 1HD1 LEU 62 1HD1 LEU 62 -1.206 -6.684 4.349 435 2HD1 LEU 62 2HD1 LEU 62 -2.476 -6.017 5.404 436 3HD1 LEU 62 3HD1 LEU 62 -2.405 -7.769 5.095 437 1HD2 LEU 62 1HD2 LEU 62 -2.114 -5.458 1.954 438 2HD2 LEU 62 2HD2 LEU 62 -3.799 -4.949 2.224 439 3HD2 LEU 62 3HD2 LEU 62 -2.543 -4.541 3.418 440 H SER 63 HN SER 63 -3.706 -11.229 4.035 441 HA SER 63 HA SER 63 -5.143 -10.612 6.324 442 1HB SER 63 2HB SER 63 -3.847 -12.660 7.258 443 2HB SER 63 3HB SER 63 -4.877 -12.911 5.862 444 HG SER 63 HG SER 63 -3.124 -13.116 4.529 445 H ILE 64 HN ILE 64 -1.866 -11.811 6.927 446 HA ILE 64 HA ILE 64 -0.811 -9.277 7.711 447 HB ILE 64 HB ILE 64 -0.544 -9.969 10.118 448 1HG1 ILE 64 2HG1 ILE 64 -2.919 -11.489 10.404 449 2HG1 ILE 64 3HG1 ILE 64 -1.971 -12.283 9.162 450 1HG2 ILE 64 1HG2 ILE 64 -2.479 -8.844 10.772 451 2HG2 ILE 64 2HG2 ILE 64 -2.191 -8.261 9.114 452 3HG2 ILE 64 3HG2 ILE 64 -3.435 -9.497 9.419 453 1HD1 ILE 64 1HD1 ILE 64 -1.327 -13.156 11.362 454 2HD1 ILE 64 2HD1 ILE 64 0.031 -12.227 10.682 455 3HD1 ILE 64 3HD1 ILE 64 -0.993 -11.509 11.949 456 H ARG 65 HN ARG 65 1.023 -9.672 6.518 457 HA ARG 65 HA ARG 65 2.253 -12.247 6.784 458 1HB ARG 65 2HB ARG 65 2.249 -10.099 4.834 459 2HB ARG 65 3HB ARG 65 3.910 -10.409 5.301 460 1HG ARG 65 2HG ARG 65 3.258 -11.838 3.386 461 2HG ARG 65 3HG ARG 65 3.642 -12.818 4.788 462 1HD ARG 65 2HD ARG 65 0.802 -12.077 4.784 463 2HD ARG 65 3HD ARG 65 1.239 -12.873 3.286 464 HE ARG 65 HE ARG 65 1.197 -14.078 5.959 465 1HH1 ARG 65 1HH1 ARG 65 2.300 -17.171 4.777 466 2HH1 ARG 65 2HH1 ARG 65 1.609 -16.320 6.118 467 1HH2 ARG 65 1HH2 ARG 65 2.806 -16.034 2.818 468 2HH2 ARG 65 2HH2 ARG 65 2.494 -14.335 2.697 469 H VAL 66 HN VAL 66 2.082 -10.078 9.008 470 HA VAL 66 HA VAL 66 3.406 -9.012 10.460 471 HB VAL 66 HB VAL 66 3.541 -11.175 11.344 472 1HG1 VAL 66 1HG1 VAL 66 5.136 -12.899 10.538 473 2HG1 VAL 66 2HG1 VAL 66 3.934 -12.440 9.308 474 3HG1 VAL 66 3HG1 VAL 66 5.598 -11.815 9.203 475 1HG2 VAL 66 1HG2 VAL 66 5.810 -9.437 11.457 476 2HG2 VAL 66 2HG2 VAL 66 5.198 -10.556 12.699 477 3HG2 VAL 66 3HG2 VAL 66 6.390 -11.120 11.502 478 H TYR 67 HN TYR 67 4.130 -7.195 9.273 479 HA TYR 67 HA TYR 67 6.914 -7.455 8.378 480 1HB TYR 67 2HB TYR 67 4.556 -7.041 6.822 481 2HB TYR 67 3HB TYR 67 5.202 -5.425 7.030 482 HD1 TYR 67 HD1 TYR 67 6.973 -4.661 5.678 483 HD2 TYR 67 HD2 TYR 67 6.143 -8.854 5.880 484 HE1 TYR 67 HE1 TYR 67 8.623 -5.086 3.790 485 HE2 TYR 67 HE2 TYR 67 7.795 -9.264 3.992 486 HH TYR 67 HH TYR 67 8.736 -7.172 1.936 487 H LEU 68 HN LEU 68 4.233 -5.130 9.169 488 HA LEU 68 HA LEU 68 5.625 -2.878 9.578 489 1HB LEU 68 2HB LEU 68 3.151 -4.037 10.556 490 2HB LEU 68 3HB LEU 68 3.868 -2.964 11.742 491 HG LEU 68 HG LEU 68 2.265 -1.788 10.337 492 1HD1 LEU 68 1HD1 LEU 68 3.775 0.054 9.508 493 2HD1 LEU 68 2HD1 LEU 68 3.998 -0.421 11.208 494 3HD1 LEU 68 3HD1 LEU 68 5.154 -0.972 9.972 495 1HD2 LEU 68 1HD2 LEU 68 3.312 -3.345 8.260 496 2HD2 LEU 68 2HD2 LEU 68 2.061 -2.085 8.146 497 3HD2 LEU 68 3HD2 LEU 68 3.769 -1.671 7.868 498 H GLY 69 HN GLY 69 7.652 -2.743 10.424 499 1HA GLY 69 1HA GLY 69 9.397 -3.169 11.818 500 2HA GLY 69 2HA GLY 69 8.256 -2.594 13.018 501 H ALA 70 HN ALA 70 9.355 -5.570 11.282 502 HA ALA 70 HA ALA 70 9.243 -7.028 13.753 503 1HB ALA 70 1HB ALA 70 6.880 -6.998 12.498 504 2HB ALA 70 2HB ALA 70 7.659 -8.276 11.535 505 3HB ALA 70 3HB ALA 70 7.497 -8.464 13.298 506 H GLU 71 HN GLU 71 9.591 -7.035 10.159 507 HA GLU 71 HA GLU 71 11.616 -9.090 10.472 508 1HB GLU 71 2HB GLU 71 9.737 -8.291 8.324 509 2HB GLU 71 3HB GLU 71 11.352 -8.647 7.744 510 1HG GLU 71 2HG GLU 71 9.905 -10.681 7.778 511 2HG GLU 71 3HG GLU 71 11.309 -10.862 8.811 512 H THR 72 HN THR 72 11.054 -5.863 8.906 513 HA THR 72 HA THR 72 13.896 -5.573 8.422 514 HB THR 72 HB THR 72 13.036 -3.360 7.440 515 HG1 THR 72 1HG THR 72 11.017 -2.939 8.252 516 1HG2 THR 72 1HG2 THR 72 11.644 -4.429 5.619 517 2HG2 THR 72 2HG2 THR 72 13.165 -5.306 5.916 518 3HG2 THR 72 3HG2 THR 72 11.632 -5.939 6.563 519 H THR 73 HN THR 73 12.396 -5.648 11.220 520 HA THR 73 HA THR 73 13.439 -3.095 12.213 521 HB THR 73 HB THR 73 11.024 -3.969 12.641 522 HG1 THR 73 1HG THR 73 12.411 -2.359 13.900 523 1HG2 THR 73 1HG2 THR 73 11.120 -6.186 13.398 524 2HG2 THR 73 2HG2 THR 73 12.716 -5.962 14.154 525 3HG2 THR 73 3HG2 THR 73 11.255 -5.337 14.956 526 H ARG 74 HN ARG 74 13.990 -6.586 12.220 527 HA ARG 74 HA ARG 74 16.144 -6.088 14.113 528 1HB ARG 74 2HB ARG 74 14.127 -8.187 13.952 529 2HB ARG 74 3HB ARG 74 15.718 -8.909 13.814 530 1HG ARG 74 2HG ARG 74 15.810 -8.789 16.086 531 2HG ARG 74 3HG ARG 74 16.101 -7.075 15.872 532 1HD ARG 74 2HD ARG 74 13.492 -6.838 15.792 533 2HD ARG 74 3HD ARG 74 13.454 -8.463 16.445 534 HE ARG 74 HE ARG 74 14.291 -6.030 17.855 535 1HH1 ARG 74 1HH1 ARG 74 15.017 -7.772 20.791 536 2HH1 ARG 74 2HH1 ARG 74 14.776 -6.211 20.081 537 1HH2 ARG 74 1HH2 ARG 74 14.845 -9.681 19.481 538 2HH2 ARG 74 2HH2 ARG 74 14.477 -9.544 17.795 539 H SER 75 HN SER 75 15.148 -7.369 10.950 540 HA SER 75 HA SER 75 17.893 -8.188 10.452 541 1HB SER 75 2HB SER 75 15.395 -9.357 9.802 542 2HB SER 75 3HB SER 75 16.011 -8.742 8.282 543 HG SER 75 HG SER 75 17.494 -10.439 10.106 544 H MET 76 HN MET 76 15.848 -5.530 10.141 545 HA MET 76 HA MET 76 15.935 -3.670 9.019 546 1HB MET 76 2HB MET 76 18.331 -3.579 9.441 547 2HB MET 76 3HB MET 76 18.664 -4.811 8.241 548 1HG MET 76 2HG MET 76 18.229 -3.325 6.413 549 2HG MET 76 3HG MET 76 17.370 -2.182 7.428 550 1HE MET 76 1HE MET 76 18.888 0.082 8.511 551 2HE MET 76 2HE MET 76 19.945 0.302 7.097 552 3HE MET 76 3HE MET 76 18.282 -0.293 6.880 553 H GLY 77 HN GLY 77 17.590 -6.000 6.757 554 1HA GLY 77 1HA GLY 77 15.477 -6.476 5.060 555 2HA GLY 77 2HA GLY 77 16.198 -4.987 4.482 556 H LEU 78 HN LEU 78 18.948 -5.736 5.484 557 HA LEU 78 HA LEU 78 19.568 -7.571 3.291 558 1HB LEU 78 2HB LEU 78 20.775 -5.690 2.877 559 2HB LEU 78 3HB LEU 78 20.936 -5.268 4.572 560 HG LEU 78 HG LEU 78 23.017 -6.027 3.194 561 1HD1 LEU 78 1HD1 LEU 78 23.726 -7.373 5.413 562 2HD1 LEU 78 2HD1 LEU 78 23.597 -5.598 5.336 563 3HD1 LEU 78 3HD1 LEU 78 22.260 -6.560 6.012 564 1HD2 LEU 78 1HD2 LEU 78 21.490 -8.328 2.896 565 2HD2 LEU 78 2HD2 LEU 78 23.229 -8.149 2.557 566 3HD2 LEU 78 3HD2 LEU 78 22.689 -8.762 4.138 567 H ALA 79 HN ALA 79 20.160 -6.921 6.792 568 HA ALA 79 HA ALA 79 21.898 -8.849 7.449 569 1HB ALA 79 1HB ALA 79 20.570 -7.160 8.896 570 2HB ALA 79 2HB ALA 79 19.350 -8.449 9.039 571 3HB ALA 79 3HB ALA 79 21.006 -8.720 9.633 572 H TYR 80 HN TYR 80 18.553 -9.280 6.323 573 HA TYR 80 HA TYR 80 18.269 -11.960 7.145 574 1HB TYR 80 2HB TYR 80 16.221 -11.641 6.010 575 2HB TYR 80 3HB TYR 80 16.705 -9.960 6.106 576 HD1 TYR 80 HD1 TYR 80 15.312 -12.213 3.963 577 HD2 TYR 80 HD2 TYR 80 18.555 -9.424 4.061 578 HE1 TYR 80 HE1 TYR 80 15.252 -12.044 1.426 579 HE2 TYR 80 HE2 TYR 80 18.484 -9.264 1.524 580 HH TYR 80 HH TYR 80 17.623 -11.026 -0.366 Start of MODEL 26 1 H SER 1 HN SER 1 -4.200 -4.700 8.080 2 HA SER 1 HA SER 1 -5.388 -4.265 10.649 3 1HB SER 1 2HB SER 1 -4.467 -7.063 9.861 4 2HB SER 1 3HB SER 1 -5.078 -6.581 11.431 5 HG SER 1 HG SER 1 -6.976 -7.181 10.634 6 H HIS 2 HN HIS 2 -2.684 -5.829 8.793 7 HA HIS 2 HA HIS 2 -0.793 -4.120 10.035 8 1HB HIS 2 2HB HIS 2 0.543 -5.913 11.111 9 2HB HIS 2 3HB HIS 2 -0.985 -5.588 11.907 10 HD1 HIS 2 HD1 HIS 2 -1.440 -7.866 12.924 11 HD2 HIS 2 HD2 HIS 2 -0.606 -8.055 8.817 12 HE1 HIS 2 HE1 HIS 2 -1.914 -10.268 12.209 13 H SER 3 HN SER 3 1.556 -4.983 9.339 14 HA SER 3 HA SER 3 2.910 -5.391 7.693 15 1HB SER 3 2HB SER 3 2.702 -7.412 6.456 16 2HB SER 3 3HB SER 3 1.867 -7.726 7.965 17 HG SER 3 HG SER 3 -0.151 -7.416 6.930 18 H VAL 4 HN VAL 4 3.379 -4.774 5.459 19 HA VAL 4 HA VAL 4 1.090 -3.773 3.950 20 HB VAL 4 HB VAL 4 2.357 -1.676 3.503 21 1HG1 VAL 4 1HG1 VAL 4 1.107 -2.432 6.086 22 2HG1 VAL 4 2HG1 VAL 4 2.034 -0.911 6.086 23 3HG1 VAL 4 3HG1 VAL 4 0.689 -1.134 4.940 24 1HG2 VAL 4 1HG2 VAL 4 4.284 -1.065 4.620 25 2HG2 VAL 4 2HG2 VAL 4 3.982 -2.175 5.978 26 3HG2 VAL 4 3HG2 VAL 4 4.551 -2.813 4.416 27 H LYS 5 HN LYS 5 2.432 -6.190 3.515 28 HA LYS 5 HA LYS 5 4.682 -6.101 1.948 29 1HB LYS 5 2HB LYS 5 2.514 -7.984 2.512 30 2HB LYS 5 3HB LYS 5 3.152 -8.169 0.891 31 1HG LYS 5 2HG LYS 5 5.090 -7.865 3.195 32 2HG LYS 5 3HG LYS 5 4.300 -9.411 2.953 33 1HD LYS 5 2HD LYS 5 6.178 -9.718 1.614 34 2HD LYS 5 3HD LYS 5 5.068 -9.073 0.421 35 1HE LYS 5 2HE LYS 5 6.269 -7.142 0.169 36 2HE LYS 5 3HE LYS 5 6.483 -6.940 1.897 37 1HZ LYS 5 1HZ LYS 5 8.542 -7.390 0.675 38 2HZ LYS 5 2HZ LYS 5 8.262 -8.485 1.854 39 3HZ LYS 5 3HZ LYS 5 7.995 -8.880 0.292 40 H ILE 6 HN ILE 6 4.380 -6.995 -0.564 41 HA ILE 6 HA ILE 6 3.084 -4.717 -1.846 42 HB ILE 6 HB ILE 6 5.026 -6.716 -3.004 43 1HG1 ILE 6 2HG1 ILE 6 6.171 -5.663 -1.196 44 2HG1 ILE 6 3HG1 ILE 6 6.729 -4.917 -2.681 45 1HG2 ILE 6 1HG2 ILE 6 5.071 -4.114 -4.215 46 2HG2 ILE 6 2HG2 ILE 6 4.703 -5.695 -4.945 47 3HG2 ILE 6 3HG2 ILE 6 3.402 -4.734 -4.202 48 1HD1 ILE 6 1HD1 ILE 6 4.879 -3.780 -0.570 49 2HD1 ILE 6 2HD1 ILE 6 6.332 -3.053 -1.298 50 3HD1 ILE 6 3HD1 ILE 6 4.822 -3.153 -2.235 51 H TYR 7 HN TYR 7 0.917 -5.658 -1.387 52 HA TYR 7 HA TYR 7 0.323 -7.861 -3.246 53 1HB TYR 7 2HB TYR 7 -0.817 -6.830 -0.587 54 2HB TYR 7 3HB TYR 7 -1.762 -7.907 -1.596 55 HD1 TYR 7 HD1 TYR 7 0.359 -7.811 1.149 56 HD2 TYR 7 HD2 TYR 7 -0.326 -10.083 -2.411 57 HE1 TYR 7 HE1 TYR 7 1.511 -9.820 2.200 58 HE2 TYR 7 HE2 TYR 7 0.829 -12.084 -1.348 59 HH TYR 7 HH TYR 7 1.570 -12.932 0.547 60 H ASP 8 HN ASP 8 -1.916 -7.779 -4.211 61 HA ASP 8 HA ASP 8 -2.326 -5.120 -5.178 62 1HB ASP 8 2HB ASP 8 -3.736 -6.137 -6.832 63 2HB ASP 8 3HB ASP 8 -2.388 -7.235 -6.610 64 H THR 9 HN THR 9 -2.909 -5.274 -2.413 65 HA THR 9 HA THR 9 -5.783 -5.680 -2.167 66 HB THR 9 HB THR 9 -4.404 -6.629 -0.403 67 HG1 THR 9 1HG THR 9 -5.126 -5.031 1.352 68 1HG2 THR 9 1HG2 THR 9 -3.287 -4.382 0.912 69 2HG2 THR 9 2HG2 THR 9 -2.384 -5.664 0.070 70 3HG2 THR 9 3HG2 THR 9 -2.834 -4.176 -0.797 71 H CYS 10 HN CYS 10 -6.731 -4.029 -3.362 72 HA CYS 10 HA CYS 10 -6.744 -1.521 -1.986 73 1HB CYS 10 2HB CYS 10 -4.765 -1.418 -3.630 74 2HB CYS 10 3HB CYS 10 -5.964 -1.418 -4.907 75 H ILE 11 HN ILE 11 -8.767 -0.505 -2.315 76 HA ILE 11 HA ILE 11 -10.544 -1.925 -4.173 77 HB ILE 11 HB ILE 11 -12.362 -1.362 -2.695 78 1HG1 ILE 11 2HG1 ILE 11 -11.420 -0.489 -0.311 79 2HG1 ILE 11 3HG1 ILE 11 -10.313 0.344 -1.385 80 1HG2 ILE 11 1HG2 ILE 11 -10.138 -3.067 -1.984 81 2HG2 ILE 11 2HG2 ILE 11 -10.974 -2.476 -0.529 82 3HG2 ILE 11 3HG2 ILE 11 -11.887 -3.334 -1.793 83 1HD1 ILE 11 1HD1 ILE 11 -11.918 1.813 -2.018 84 2HD1 ILE 11 2HD1 ILE 11 -13.040 0.494 -2.428 85 3HD1 ILE 11 3HD1 ILE 11 -12.960 1.108 -0.759 86 H GLY 12 HN GLY 12 -8.938 1.045 -3.377 87 1HA GLY 12 1HA GLY 12 -8.933 2.618 -5.264 88 2HA GLY 12 2HA GLY 12 -10.681 2.481 -5.291 89 H CYS 13 HN CYS 13 -8.743 2.519 -2.275 90 HA CYS 13 HA CYS 13 -9.992 5.098 -1.674 91 1HB CYS 13 2HB CYS 13 -10.619 4.278 0.304 92 2HB CYS 13 3HB CYS 13 -10.107 2.694 -0.243 93 H THR 14 HN THR 14 -8.520 6.281 0.136 94 HA THR 14 HA THR 14 -5.693 5.930 -0.572 95 HB THR 14 HB THR 14 -6.650 7.742 -1.994 96 HG1 THR 14 1HG THR 14 -4.491 7.856 -0.844 97 1HG2 THR 14 1HG2 THR 14 -7.926 8.490 0.566 98 2HG2 THR 14 2HG2 THR 14 -7.027 9.842 -0.165 99 3HG2 THR 14 3HG2 THR 14 -8.318 9.030 -1.084 100 H GLN 15 HN GLN 15 -5.902 4.697 1.523 101 HA GLN 15 HA GLN 15 -5.827 6.617 3.720 102 1HB GLN 15 2HB GLN 15 -6.561 4.836 5.207 103 2HB GLN 15 3HB GLN 15 -7.671 4.924 3.853 104 1HG GLN 15 2HG GLN 15 -6.322 3.067 2.729 105 2HG GLN 15 3HG GLN 15 -5.400 2.915 4.212 106 1HE2 GLN 15 1HE2 GLN 15 -6.171 0.744 4.266 107 2HE2 GLN 15 2HE2 GLN 15 -7.734 0.361 4.908 108 H CYS 16 HN CYS 16 -4.427 3.523 2.443 109 HA CYS 16 HA CYS 16 -2.187 3.769 4.225 110 1HB CYS 16 2HB CYS 16 -1.537 1.635 3.495 111 2HB CYS 16 3HB CYS 16 -3.288 1.571 3.515 112 H VAL 17 HN VAL 17 -3.017 5.706 1.859 113 HA VAL 17 HA VAL 17 -0.337 5.748 0.657 114 HB VAL 17 HB VAL 17 -2.932 6.507 -0.694 115 1HG1 VAL 17 1HG1 VAL 17 -0.868 5.954 -2.552 116 2HG1 VAL 17 2HG1 VAL 17 -1.622 7.525 -2.184 117 3HG1 VAL 17 3HG1 VAL 17 -0.162 7.010 -1.305 118 1HG2 VAL 17 1HG2 VAL 17 -1.346 4.133 -1.573 119 2HG2 VAL 17 2HG2 VAL 17 -2.354 3.964 -0.117 120 3HG2 VAL 17 3HG2 VAL 17 -3.097 4.440 -1.662 121 H ARG 18 HN ARG 18 -2.095 7.092 2.989 122 HA ARG 18 HA ARG 18 -1.378 9.795 2.180 123 1HB ARG 18 2HB ARG 18 -3.839 8.731 3.235 124 2HB ARG 18 3HB ARG 18 -3.159 9.767 4.474 125 1HG ARG 18 2HG ARG 18 -4.594 11.102 2.996 126 2HG ARG 18 3HG ARG 18 -2.930 11.618 2.809 127 1HD ARG 18 2HD ARG 18 -3.158 9.579 0.901 128 2HD ARG 18 3HD ARG 18 -4.733 10.344 0.836 129 HE ARG 18 HE ARG 18 -3.089 12.525 0.803 130 1HH1 ARG 18 1HH1 ARG 18 -1.750 12.510 -2.420 131 2HH1 ARG 18 2HH1 ARG 18 -2.106 13.478 -1.027 132 1HH2 ARG 18 1HH2 ARG 18 -2.270 10.249 -2.426 133 2HH2 ARG 18 2HH2 ARG 18 -3.015 9.528 -1.040 134 H ALA 19 HN ALA 19 -1.649 7.480 4.962 135 HA ALA 19 HA ALA 19 -0.087 9.137 6.683 136 1HB ALA 19 1HB ALA 19 -1.825 7.627 7.535 137 2HB ALA 19 2HB ALA 19 -0.959 6.224 6.864 138 3HB ALA 19 3HB ALA 19 -0.235 7.166 8.189 139 H CYS 20 HN CYS 20 1.644 9.404 4.906 140 HA CYS 20 HA CYS 20 3.775 7.620 5.588 141 1HB CYS 20 2HB CYS 20 2.553 6.478 3.659 142 2HB CYS 20 3HB CYS 20 3.066 7.816 2.650 143 HA PRO 21 HA PRO 21 5.115 11.828 4.977 144 1HB PRO 21 2HB PRO 21 7.120 11.793 6.833 145 2HB PRO 21 3HB PRO 21 5.468 12.236 7.215 146 1HG PRO 21 2HG PRO 21 6.903 9.727 7.833 147 2HG PRO 21 3HG PRO 21 5.435 10.358 8.554 148 1HD PRO 21 2HD PRO 21 5.630 8.246 6.622 149 2HD PRO 21 3HD PRO 21 4.158 8.955 7.255 150 H LEU 22 HN LEU 22 7.296 9.087 5.295 151 HA LEU 22 HA LEU 22 9.359 10.310 3.828 152 1HB LEU 22 2HB LEU 22 8.840 7.357 4.156 153 2HB LEU 22 3HB LEU 22 10.368 8.141 3.806 154 HG LEU 22 HG LEU 22 8.936 8.829 6.352 155 1HD1 LEU 22 1HD1 LEU 22 10.552 6.873 7.244 156 2HD1 LEU 22 2HD1 LEU 22 8.835 6.626 6.845 157 3HD1 LEU 22 3HD1 LEU 22 10.093 6.185 5.667 158 1HD2 LEU 22 1HD2 LEU 22 11.025 9.467 7.135 159 2HD2 LEU 22 2HD2 LEU 22 11.894 8.448 5.963 160 3HD2 LEU 22 3HD2 LEU 22 11.085 9.937 5.419 161 H ASP 23 HN ASP 23 6.252 9.237 2.908 162 HA ASP 23 HA ASP 23 5.267 8.966 0.997 163 1HB ASP 23 2HB ASP 23 7.708 10.530 0.183 164 2HB ASP 23 3HB ASP 23 6.760 9.813 -1.105 165 H VAL 24 HN VAL 24 5.473 6.593 1.174 166 HA VAL 24 HA VAL 24 7.532 5.494 -0.615 167 HB VAL 24 HB VAL 24 6.422 4.543 2.009 168 1HG1 VAL 24 1HG1 VAL 24 7.836 2.805 -0.044 169 2HG1 VAL 24 2HG1 VAL 24 7.409 2.331 1.618 170 3HG1 VAL 24 3HG1 VAL 24 6.126 2.677 0.434 171 1HG2 VAL 24 1HG2 VAL 24 8.644 5.915 1.558 172 2HG2 VAL 24 2HG2 VAL 24 8.594 4.604 2.762 173 3HG2 VAL 24 3HG2 VAL 24 9.283 4.305 1.147 174 H LEU 25 HN LEU 25 4.462 4.314 0.925 175 HA LEU 25 HA LEU 25 3.662 2.680 -1.067 176 1HB LEU 25 2HB LEU 25 1.877 4.451 0.606 177 2HB LEU 25 3HB LEU 25 1.392 2.991 -0.230 178 HG LEU 25 HG LEU 25 3.546 2.198 1.382 179 1HD1 LEU 25 1HD1 LEU 25 2.388 2.954 3.652 180 2HD1 LEU 25 2HD1 LEU 25 3.667 3.916 2.872 181 3HD1 LEU 25 3HD1 LEU 25 1.959 4.372 2.665 182 1HD2 LEU 25 1HD2 LEU 25 1.651 0.807 0.876 183 2HD2 LEU 25 2HD2 LEU 25 1.788 0.974 2.642 184 3HD2 LEU 25 3HD2 LEU 25 0.555 1.901 1.753 185 H GLU 26 HN GLU 26 3.992 3.245 -3.198 186 HA GLU 26 HA GLU 26 2.524 5.620 -4.048 187 1HB GLU 26 2HB GLU 26 5.052 4.416 -5.259 188 2HB GLU 26 3HB GLU 26 4.172 5.774 -5.934 189 1HG GLU 26 2HG GLU 26 4.657 6.299 -3.125 190 2HG GLU 26 3HG GLU 26 6.167 5.811 -3.867 191 H MET 27 HN MET 27 2.574 5.195 -6.830 192 HA MET 27 HA MET 27 0.655 3.084 -6.987 193 1HB MET 27 2HB MET 27 0.404 3.957 -9.351 194 2HB MET 27 3HB MET 27 0.251 5.227 -8.153 195 1HG MET 27 2HG MET 27 2.041 6.341 -9.009 196 2HG MET 27 3HG MET 27 3.058 4.919 -8.877 197 1HE MET 27 1HE MET 27 4.391 4.895 -10.714 198 2HE MET 27 2HE MET 27 3.956 4.988 -12.438 199 3HE MET 27 3HE MET 27 3.929 6.457 -11.434 200 H VAL 28 HN VAL 28 0.938 1.057 -7.879 201 HA VAL 28 HA VAL 28 3.532 0.582 -9.178 202 HB VAL 28 HB VAL 28 3.827 -1.354 -8.013 203 1HG1 VAL 28 1HG1 VAL 28 2.227 0.429 -6.154 204 2HG1 VAL 28 2HG1 VAL 28 3.157 -0.988 -5.609 205 3HG1 VAL 28 3HG1 VAL 28 3.992 0.384 -6.375 206 1HG2 VAL 28 1HG2 VAL 28 2.092 -2.723 -7.003 207 2HG2 VAL 28 2HG2 VAL 28 0.864 -1.484 -7.361 208 3HG2 VAL 28 3HG2 VAL 28 1.661 -2.358 -8.691 209 HA PRO 29 HA PRO 29 1.332 -1.246 -12.423 210 1HB PRO 29 2HB PRO 29 2.700 -3.522 -13.066 211 2HB PRO 29 3HB PRO 29 3.232 -1.919 -13.535 212 1HG PRO 29 2HG PRO 29 4.303 -3.682 -11.417 213 2HG PRO 29 3HG PRO 29 5.059 -2.296 -12.178 214 1HD PRO 29 2HD PRO 29 3.862 -2.382 -9.573 215 2HD PRO 29 3HD PRO 29 4.513 -0.970 -10.382 216 H TRP 30 HN TRP 30 -0.746 -1.772 -12.154 217 HA TRP 30 HA TRP 30 -1.149 -4.489 -11.125 218 1HB TRP 30 2HB TRP 30 -1.558 -2.975 -9.277 219 2HB TRP 30 3HB TRP 30 -2.639 -2.005 -10.258 220 HD1 TRP 30 HD1 TRP 30 -5.126 -2.540 -9.705 221 HE1 TRP 30 HE1 TRP 30 -6.593 -4.590 -8.926 222 HE3 TRP 30 HE3 TRP 30 -1.303 -5.889 -9.544 223 HZ2 TRP 30 HZ2 TRP 30 -6.004 -7.321 -8.343 224 HZ3 TRP 30 HZ3 TRP 30 -1.835 -8.226 -8.860 225 HH2 TRP 30 HH2 TRP 30 -4.089 -8.961 -8.272 226 H ASP 31 HN ASP 31 -3.639 -5.049 -11.619 227 HA ASP 31 HA ASP 31 -4.375 -3.808 -14.134 228 1HB ASP 31 2HB ASP 31 -3.059 -6.131 -14.261 229 2HB ASP 31 3HB ASP 31 -4.612 -6.807 -13.809 230 H GLY 32 HN GLY 32 -5.761 -2.975 -12.063 231 1HA GLY 32 1HA GLY 32 -8.289 -4.410 -12.179 232 2HA GLY 32 2HA GLY 32 -7.531 -4.322 -10.602 233 H CYS 33 HN CYS 33 -6.234 -1.682 -11.066 234 HA CYS 33 HA CYS 33 -8.436 -0.088 -10.272 235 1HB CYS 33 2HB CYS 33 -5.626 0.033 -10.031 236 2HB CYS 33 3HB CYS 33 -6.076 1.457 -10.948 237 HG CYS 33 HG CYS 33 -6.028 1.184 -7.987 238 H LYS 34 HN LYS 34 -8.738 2.175 -11.411 239 HA LYS 34 HA LYS 34 -9.588 1.678 -14.034 240 1HB LYS 34 2HB LYS 34 -10.092 3.564 -12.092 241 2HB LYS 34 3HB LYS 34 -9.197 4.496 -13.274 242 1HG LYS 34 2HG LYS 34 -11.223 4.698 -14.321 243 2HG LYS 34 3HG LYS 34 -10.871 3.097 -14.942 244 1HD LYS 34 2HD LYS 34 -12.223 3.392 -12.244 245 2HD LYS 34 3HD LYS 34 -13.170 3.554 -13.711 246 1HE LYS 34 2HE LYS 34 -11.842 1.268 -14.339 247 2HE LYS 34 3HE LYS 34 -11.796 1.125 -12.593 248 1HZ LYS 34 1HZ LYS 34 -14.192 1.437 -12.583 249 2HZ LYS 34 2HZ LYS 34 -14.217 1.515 -14.213 250 3HZ LYS 34 3HZ LYS 34 -13.769 0.132 -13.469 251 H ALA 35 HN ALA 35 -6.516 2.683 -12.647 252 HA ALA 35 HA ALA 35 -5.551 3.242 -15.369 253 1HB ALA 35 1HB ALA 35 -3.649 4.265 -13.669 254 2HB ALA 35 2HB ALA 35 -4.976 5.208 -14.390 255 3HB ALA 35 3HB ALA 35 -5.144 4.548 -12.744 256 H GLY 36 HN GLY 36 -5.979 0.609 -13.902 257 1HA GLY 36 1HA GLY 36 -4.838 -1.270 -13.361 258 2HA GLY 36 2HA GLY 36 -3.916 -0.867 -14.796 259 H GLN 37 HN GLN 37 -4.116 0.605 -11.472 260 HA GLN 37 HA GLN 37 -1.388 -0.174 -11.028 261 1HB GLN 37 2HB GLN 37 -0.749 2.214 -10.409 262 2HB GLN 37 3HB GLN 37 -0.947 1.913 -12.123 263 1HG GLN 37 2HG GLN 37 -2.461 3.598 -12.199 264 2HG GLN 37 3HG GLN 37 -3.538 2.629 -11.214 265 1HE2 GLN 37 1HE2 GLN 37 -4.006 3.237 -9.217 266 2HE2 GLN 37 2HE2 GLN 37 -3.273 4.540 -8.341 267 H ILE 38 HN ILE 38 -1.305 -0.945 -8.965 268 HA ILE 38 HA ILE 38 -3.402 -0.061 -7.137 269 HB ILE 38 HB ILE 38 -2.895 -2.512 -7.763 270 1HG1 ILE 38 2HG1 ILE 38 -3.021 -2.732 -4.940 271 2HG1 ILE 38 3HG1 ILE 38 -3.822 -1.230 -5.353 272 1HG2 ILE 38 1HG2 ILE 38 -1.254 -3.478 -6.001 273 2HG2 ILE 38 2HG2 ILE 38 -0.606 -2.775 -7.502 274 3HG2 ILE 38 3HG2 ILE 38 -0.562 -1.838 -5.989 275 1HD1 ILE 38 1HD1 ILE 38 -4.402 -3.851 -6.798 276 2HD1 ILE 38 2HD1 ILE 38 -5.316 -3.299 -5.373 277 3HD1 ILE 38 3HD1 ILE 38 -5.341 -2.341 -6.874 278 H ALA 39 HN ALA 39 -2.979 1.043 -5.249 279 HA ALA 39 HA ALA 39 -0.439 2.324 -5.090 280 1HB ALA 39 1HB ALA 39 -1.475 3.687 -3.514 281 2HB ALA 39 2HB ALA 39 -2.876 3.128 -4.459 282 3HB ALA 39 3HB ALA 39 -2.500 2.370 -2.892 283 H SER 40 HN SER 40 1.326 1.156 -4.475 284 HA SER 40 HA SER 40 1.163 -0.096 -1.895 285 1HB SER 40 2HB SER 40 1.584 -1.604 -4.465 286 2HB SER 40 3HB SER 40 2.538 -2.091 -3.077 287 HG SER 40 HG SER 40 0.817 -3.061 -2.272 288 H SER 41 HN SER 41 3.619 -1.154 -1.556 289 HA SER 41 HA SER 41 5.291 1.136 -1.931 290 1HB SER 41 2HB SER 41 6.883 -0.752 -0.706 291 2HB SER 41 3HB SER 41 5.853 0.387 0.140 292 HG SER 41 HG SER 41 4.782 -1.297 0.890 293 HA PRO 42 HA PRO 42 7.246 -0.627 -5.427 294 1HB PRO 42 2HB PRO 42 9.167 1.277 -5.819 295 2HB PRO 42 3HB PRO 42 7.524 1.439 -6.406 296 1HG PRO 42 2HG PRO 42 8.810 2.777 -4.105 297 2HG PRO 42 3HG PRO 42 7.345 3.223 -4.956 298 1HD PRO 42 2HD PRO 42 7.519 1.937 -2.399 299 2HD PRO 42 3HD PRO 42 6.057 2.279 -3.302 300 H ARG 43 HN ARG 43 9.531 0.732 -3.090 301 HA ARG 43 HA ARG 43 10.835 -1.861 -3.205 302 1HB ARG 43 2HB ARG 43 12.292 0.826 -3.068 303 2HB ARG 43 3HB ARG 43 13.050 -0.752 -3.133 304 1HG ARG 43 2HG ARG 43 11.101 -0.133 -5.328 305 2HG ARG 43 3HG ARG 43 12.595 0.783 -5.343 306 1HD ARG 43 2HD ARG 43 13.320 -1.063 -6.544 307 2HD ARG 43 3HD ARG 43 13.679 -1.653 -4.934 308 HE ARG 43 HE ARG 43 11.102 -2.491 -5.221 309 1HH1 ARG 43 1HH1 ARG 43 11.313 -5.146 -7.475 310 2HH1 ARG 43 2HH1 ARG 43 10.374 -4.414 -6.216 311 1HH2 ARG 43 1HH2 ARG 43 13.308 -4.172 -8.151 312 2HH2 ARG 43 2HH2 ARG 43 13.858 -2.713 -7.396 313 H THR 44 HN THR 44 10.012 1.147 -1.463 314 HA THR 44 HA THR 44 9.869 1.641 0.699 315 HB THR 44 HB THR 44 9.746 -1.405 0.778 316 HG1 THR 44 1HG THR 44 7.505 -0.691 1.284 317 1HG2 THR 44 1HG2 THR 44 8.594 -0.665 3.124 318 2HG2 THR 44 2HG2 THR 44 10.303 -1.155 3.033 319 3HG2 THR 44 3HG2 THR 44 9.871 0.573 3.048 320 H GLU 45 HN GLU 45 12.572 0.836 -0.768 321 HA GLU 45 HA GLU 45 14.350 -0.053 1.066 322 1HB GLU 45 2HB GLU 45 16.069 1.139 -0.258 323 2HB GLU 45 3HB GLU 45 14.899 0.354 -1.299 324 1HG GLU 45 2HG GLU 45 13.788 2.426 -1.806 325 2HG GLU 45 3HG GLU 45 14.558 3.262 -0.473 326 H ASP 46 HN ASP 46 12.564 2.948 1.065 327 HA ASP 46 HA ASP 46 14.287 3.882 3.226 328 1HB ASP 46 2HB ASP 46 12.982 5.284 0.929 329 2HB ASP 46 3HB ASP 46 12.869 6.120 2.466 330 H CYS 47 HN CYS 47 13.062 2.963 4.964 331 HA CYS 47 HA CYS 47 10.955 4.303 5.981 332 1HB CYS 47 2HB CYS 47 9.317 3.851 4.450 333 2HB CYS 47 3HB CYS 47 10.031 2.333 3.946 334 H VAL 48 HN VAL 48 10.356 3.352 8.036 335 HA VAL 48 HA VAL 48 10.899 0.662 8.655 336 HB VAL 48 HB VAL 48 13.198 1.206 8.503 337 1HG1 VAL 48 1HG1 VAL 48 12.771 3.728 8.670 338 2HG1 VAL 48 2HG1 VAL 48 12.868 3.510 10.435 339 3HG1 VAL 48 3HG1 VAL 48 14.266 3.106 9.410 340 1HG2 VAL 48 1HG2 VAL 48 13.991 0.752 10.735 341 2HG2 VAL 48 2HG2 VAL 48 12.486 1.382 11.449 342 3HG2 VAL 48 3HG2 VAL 48 12.458 -0.119 10.493 343 H GLY 49 HN GLY 49 8.643 1.168 9.265 344 1HA GLY 49 1HA GLY 49 7.047 1.703 10.755 345 2HA GLY 49 2HA GLY 49 8.279 1.463 11.977 346 H CYS 50 HN CYS 50 6.319 3.778 10.266 347 HA CYS 50 HA CYS 50 7.156 5.822 12.070 348 1HB CYS 50 2HB CYS 50 8.378 7.182 10.761 349 2HB CYS 50 3HB CYS 50 8.675 5.747 9.800 350 H LYS 51 HN LYS 51 5.633 7.709 11.905 351 HA LYS 51 HA LYS 51 3.619 8.582 11.676 352 1HB LYS 51 2HB LYS 51 4.388 8.006 9.120 353 2HB LYS 51 3HB LYS 51 2.870 7.137 9.206 354 1HG LYS 51 2HG LYS 51 3.241 10.076 9.961 355 2HG LYS 51 3HG LYS 51 2.584 9.510 8.438 356 1HD LYS 51 2HD LYS 51 0.527 9.201 9.351 357 2HD LYS 51 3HD LYS 51 1.183 8.222 10.647 358 1HE LYS 51 2HE LYS 51 1.214 9.974 12.134 359 2HE LYS 51 3HE LYS 51 1.786 11.115 10.934 360 1HZ LYS 51 1HZ LYS 51 -0.969 10.107 10.972 361 2HZ LYS 51 2HZ LYS 51 -0.510 11.478 11.733 362 3HZ LYS 51 3HZ LYS 51 -0.384 11.366 10.109 363 H ARG 52 HN ARG 52 2.890 5.405 10.103 364 HA ARG 52 HA ARG 52 2.029 4.097 12.312 365 1HB ARG 52 2HB ARG 52 0.100 6.145 11.407 366 2HB ARG 52 3HB ARG 52 -0.611 4.543 11.424 367 1HG ARG 52 2HG ARG 52 0.793 4.578 13.830 368 2HG ARG 52 3HG ARG 52 0.262 6.242 13.695 369 1HD ARG 52 2HD ARG 52 -1.849 5.651 14.288 370 2HD ARG 52 3HD ARG 52 -1.951 4.546 12.931 371 HE ARG 52 HE ARG 52 -0.408 3.163 14.784 372 1HH1 ARG 52 1HH1 ARG 52 -2.878 1.895 16.898 373 2HH1 ARG 52 2HH1 ARG 52 -1.244 1.723 16.348 374 1HH2 ARG 52 1HH2 ARG 52 -4.216 3.590 16.046 375 2HH2 ARG 52 2HH2 ARG 52 -3.581 4.681 14.861 376 H CYS 53 HN CYS 53 0.069 4.782 9.327 377 HA CYS 53 HA CYS 53 -0.682 3.391 7.775 378 1HB CYS 53 2HB CYS 53 0.994 2.535 6.286 379 2HB CYS 53 3HB CYS 53 1.567 4.062 6.927 380 H GLU 54 HN GLU 54 -1.337 2.316 10.199 381 HA GLU 54 HA GLU 54 -0.435 -0.449 10.052 382 1HB GLU 54 2HB GLU 54 -1.210 -0.647 12.390 383 2HB GLU 54 3HB GLU 54 -0.053 0.659 12.222 384 1HG GLU 54 2HG GLU 54 -1.577 2.226 12.861 385 2HG GLU 54 3HG GLU 54 -2.787 1.616 11.750 386 H THR 55 HN THR 55 -2.302 0.509 8.108 387 HA THR 55 HA THR 55 -4.773 -0.812 9.025 388 HB THR 55 HB THR 55 -4.639 1.791 8.411 389 HG1 THR 55 1HG THR 55 -6.458 -0.316 7.517 390 1HG2 THR 55 1HG2 THR 55 -4.946 0.377 5.709 391 2HG2 THR 55 2HG2 THR 55 -5.355 2.083 6.010 392 3HG2 THR 55 3HG2 THR 55 -3.667 1.536 6.143 393 H ALA 56 HN ALA 56 -2.694 -0.145 6.131 394 HA ALA 56 HA ALA 56 -2.599 -1.270 4.188 395 1HB ALA 56 1HB ALA 56 -0.891 -2.370 5.432 396 2HB ALA 56 2HB ALA 56 -2.073 -3.334 6.351 397 3HB ALA 56 3HB ALA 56 -1.802 -3.667 4.623 398 H CYS 57 HN CYS 57 -5.117 -0.766 4.146 399 HA CYS 57 HA CYS 57 -7.113 -1.413 3.508 400 1HB CYS 57 2HB CYS 57 -5.355 -3.172 2.187 401 2HB CYS 57 3HB CYS 57 -6.648 -4.191 2.791 402 HA PRO 58 HA PRO 58 -8.822 -3.574 6.881 403 1HB PRO 58 2HB PRO 58 -11.342 -4.159 6.000 404 2HB PRO 58 3HB PRO 58 -10.879 -2.578 6.600 405 1HG PRO 58 2HG PRO 58 -11.336 -3.441 3.809 406 2HG PRO 58 3HG PRO 58 -11.294 -1.816 4.462 407 1HD PRO 58 2HD PRO 58 -9.229 -3.112 2.953 408 2HD PRO 58 3HD PRO 58 -9.143 -1.532 3.704 409 H THR 59 HN THR 59 -10.805 -5.443 4.769 410 HA THR 59 HA THR 59 -9.027 -7.738 5.213 411 HB THR 59 HB THR 59 -12.058 -7.672 5.659 412 HG1 THR 59 1HG THR 59 -11.426 -7.331 7.777 413 1HG2 THR 59 1HG2 THR 59 -10.553 -9.801 6.965 414 2HG2 THR 59 2HG2 THR 59 -11.926 -9.945 5.841 415 3HG2 THR 59 3HG2 THR 59 -10.263 -9.857 5.209 416 H ASP 60 HN ASP 60 -10.514 -5.699 3.046 417 HA ASP 60 HA ASP 60 -11.783 -7.200 1.242 418 1HB ASP 60 2HB ASP 60 -10.285 -4.722 1.258 419 2HB ASP 60 3HB ASP 60 -9.913 -5.575 -0.227 420 H PHE 61 HN PHE 61 -8.356 -7.249 2.144 421 HA PHE 61 HA PHE 61 -7.956 -9.547 0.440 422 1HB PHE 61 2HB PHE 61 -6.560 -6.836 0.253 423 2HB PHE 61 3HB PHE 61 -5.662 -8.280 -0.169 424 HD1 PHE 61 1HD PHE 61 -6.568 -9.762 -2.023 425 HD2 PHE 61 2HD PHE 61 -8.048 -5.854 -1.281 426 HE1 PHE 61 1HE PHE 61 -7.539 -9.690 -4.338 427 HE2 PHE 61 2HE PHE 61 -9.018 -5.782 -3.596 428 HZ PHE 61 HZ PHE 61 -8.752 -7.701 -5.096 429 H LEU 62 HN LEU 62 -5.400 -7.435 1.784 430 HA LEU 62 HA LEU 62 -3.771 -7.933 3.214 431 1HB LEU 62 2HB LEU 62 -6.319 -7.949 4.586 432 2HB LEU 62 3HB LEU 62 -5.157 -8.963 5.418 433 HG LEU 62 HG LEU 62 -4.711 -6.059 4.670 434 1HD1 LEU 62 1HD1 LEU 62 -4.776 -6.623 7.507 435 2HD1 LEU 62 2HD1 LEU 62 -5.704 -5.438 6.556 436 3HD1 LEU 62 3HD1 LEU 62 -6.300 -7.107 6.724 437 1HD2 LEU 62 1HD2 LEU 62 -2.712 -6.174 6.033 438 2HD2 LEU 62 2HD2 LEU 62 -3.031 -7.884 6.412 439 3HD2 LEU 62 3HD2 LEU 62 -2.640 -7.400 4.744 440 H SER 63 HN SER 63 -2.567 -9.552 2.218 441 HA SER 63 HA SER 63 -3.393 -12.173 2.027 442 1HB SER 63 2HB SER 63 -1.494 -11.022 0.776 443 2HB SER 63 3HB SER 63 -0.513 -11.192 2.219 444 HG SER 63 HG SER 63 -1.810 -13.474 1.024 445 H ILE 64 HN ILE 64 -0.731 -13.286 3.164 446 HA ILE 64 HA ILE 64 -1.499 -13.227 5.997 447 HB ILE 64 HB ILE 64 -0.759 -15.644 6.027 448 1HG1 ILE 64 2HG1 ILE 64 -1.488 -16.065 3.226 449 2HG1 ILE 64 3HG1 ILE 64 -0.014 -15.134 3.395 450 1HG2 ILE 64 1HG2 ILE 64 -3.018 -16.331 4.828 451 2HG2 ILE 64 2HG2 ILE 64 -3.007 -15.442 6.370 452 3HG2 ILE 64 3HG2 ILE 64 -3.281 -14.571 4.842 453 1HD1 ILE 64 1HD1 ILE 64 0.146 -17.750 3.381 454 2HD1 ILE 64 2HD1 ILE 64 1.101 -16.848 4.583 455 3HD1 ILE 64 3HD1 ILE 64 -0.423 -17.633 5.064 456 H ARG 65 HN ARG 65 0.127 -11.464 6.079 457 HA ARG 65 HA ARG 65 2.733 -12.673 6.398 458 1HB ARG 65 2HB ARG 65 2.170 -10.109 4.826 459 2HB ARG 65 3HB ARG 65 3.773 -10.572 5.361 460 1HG ARG 65 2HG ARG 65 2.370 -12.768 3.964 461 2HG ARG 65 3HG ARG 65 2.555 -11.345 2.958 462 1HD ARG 65 2HD ARG 65 4.871 -11.505 2.903 463 2HD ARG 65 3HD ARG 65 4.978 -12.143 4.531 464 HE ARG 65 HE ARG 65 4.579 -13.695 2.059 465 1HH1 ARG 65 1HH1 ARG 65 4.675 -16.725 3.787 466 2HH1 ARG 65 2HH1 ARG 65 4.703 -15.971 2.228 467 1HH2 ARG 65 1HH2 ARG 65 4.511 -15.426 5.703 468 2HH2 ARG 65 2HH2 ARG 65 4.417 -13.700 5.574 469 H VAL 66 HN VAL 66 4.211 -11.217 7.762 470 HA VAL 66 HA VAL 66 2.706 -9.270 9.335 471 HB VAL 66 HB VAL 66 3.807 -10.273 11.382 472 1HG1 VAL 66 1HG1 VAL 66 1.362 -10.776 10.161 473 2HG1 VAL 66 2HG1 VAL 66 1.973 -12.399 10.564 474 3HG1 VAL 66 3HG1 VAL 66 1.805 -11.169 11.840 475 1HG2 VAL 66 1HG2 VAL 66 4.442 -12.624 11.314 476 2HG2 VAL 66 2HG2 VAL 66 4.105 -12.690 9.568 477 3HG2 VAL 66 3HG2 VAL 66 5.444 -11.688 10.179 478 H TYR 67 HN TYR 67 3.818 -7.391 9.362 479 HA TYR 67 HA TYR 67 6.744 -7.563 9.352 480 1HB TYR 67 2HB TYR 67 4.752 -6.152 7.521 481 2HB TYR 67 3HB TYR 67 6.280 -5.351 7.831 482 HD1 TYR 67 HD1 TYR 67 4.772 -8.474 6.476 483 HD2 TYR 67 HD2 TYR 67 8.262 -6.011 6.699 484 HE1 TYR 67 HE1 TYR 67 5.876 -9.861 4.653 485 HE2 TYR 67 HE2 TYR 67 9.354 -7.405 4.876 486 HH TYR 67 HH TYR 67 7.545 -9.797 3.109 487 H LEU 68 HN LEU 68 3.994 -5.179 9.452 488 HA LEU 68 HA LEU 68 5.174 -3.186 10.810 489 1HB LEU 68 2HB LEU 68 2.380 -4.290 10.979 490 2HB LEU 68 3HB LEU 68 2.858 -2.853 11.860 491 HG LEU 68 HG LEU 68 3.051 -3.169 8.852 492 1HD1 LEU 68 1HD1 LEU 68 0.761 -3.140 9.220 493 2HD1 LEU 68 2HD1 LEU 68 0.892 -2.047 10.620 494 3HD1 LEU 68 3HD1 LEU 68 1.144 -1.419 8.973 495 1HD2 LEU 68 1HD2 LEU 68 3.206 -0.599 9.043 496 2HD2 LEU 68 2HD2 LEU 68 3.666 -0.902 10.736 497 3HD2 LEU 68 3HD2 LEU 68 4.649 -1.574 9.412 498 H GLY 69 HN GLY 69 6.537 -3.273 12.515 499 1HA GLY 69 1HA GLY 69 7.252 -3.636 14.618 500 2HA GLY 69 2HA GLY 69 5.631 -4.141 15.052 501 H ALA 70 HN ALA 70 8.637 -5.269 13.381 502 HA ALA 70 HA ALA 70 8.695 -7.678 14.803 503 1HB ALA 70 1HB ALA 70 6.768 -8.331 13.482 504 2HB ALA 70 2HB ALA 70 7.572 -7.822 11.978 505 3HB ALA 70 3HB ALA 70 8.189 -9.223 12.888 506 H GLU 71 HN GLU 71 9.482 -5.826 11.829 507 HA GLU 71 HA GLU 71 11.773 -7.219 11.179 508 1HB GLU 71 2HB GLU 71 11.411 -4.233 10.743 509 2HB GLU 71 3HB GLU 71 12.285 -5.368 9.734 510 1HG GLU 71 2HG GLU 71 10.405 -5.724 8.523 511 2HG GLU 71 3HG GLU 71 9.625 -6.391 9.944 512 H THR 72 HN THR 72 13.550 -4.697 11.112 513 HA THR 72 HA THR 72 15.422 -4.236 12.296 514 HB THR 72 HB THR 72 14.654 -2.896 14.432 515 HG1 THR 72 1HG THR 72 12.146 -3.445 13.025 516 1HG2 THR 72 1HG2 THR 72 13.296 -1.241 12.936 517 2HG2 THR 72 2HG2 THR 72 14.981 -1.559 12.458 518 3HG2 THR 72 3HG2 THR 72 13.645 -2.366 11.601 519 H THR 73 HN THR 73 14.593 -7.025 12.607 520 HA THR 73 HA THR 73 15.367 -7.495 15.402 521 HB THR 73 HB THR 73 13.964 -9.177 13.266 522 HG1 THR 73 1HG THR 73 12.260 -8.857 14.821 523 1HG2 THR 73 1HG2 THR 73 13.635 -10.556 15.599 524 2HG2 THR 73 2HG2 THR 73 14.919 -10.951 14.431 525 3HG2 THR 73 3HG2 THR 73 15.289 -9.945 15.852 526 H ARG 74 HN ARG 74 16.093 -8.598 12.027 527 HA ARG 74 HA ARG 74 18.718 -9.300 13.076 528 1HB ARG 74 2HB ARG 74 18.808 -10.872 11.034 529 2HB ARG 74 3HB ARG 74 17.688 -11.329 12.300 530 1HG ARG 74 2HG ARG 74 16.711 -9.574 10.033 531 2HG ARG 74 3HG ARG 74 16.903 -11.294 9.757 532 1HD ARG 74 2HD ARG 74 15.448 -10.490 12.263 533 2HD ARG 74 3HD ARG 74 14.613 -10.212 10.748 534 HE ARG 74 HE ARG 74 15.222 -12.807 11.952 535 1HH1 ARG 74 1HH1 ARG 74 13.885 -14.590 9.267 536 2HH1 ARG 74 2HH1 ARG 74 14.446 -14.682 10.903 537 1HH2 ARG 74 1HH2 ARG 74 13.924 -12.561 8.140 538 2HH2 ARG 74 2HH2 ARG 74 14.514 -11.140 8.936 539 H SER 75 HN SER 75 16.794 -7.679 10.549 540 HA SER 75 HA SER 75 19.203 -6.931 9.146 541 1HB SER 75 2HB SER 75 16.541 -7.438 8.361 542 2HB SER 75 3HB SER 75 16.716 -5.703 8.187 543 HG SER 75 HG SER 75 18.965 -6.701 7.170 544 H MET 76 HN MET 76 18.405 -5.979 11.955 545 HA MET 76 HA MET 76 17.380 -3.554 12.143 546 1HB MET 76 2HB MET 76 19.751 -4.918 13.432 547 2HB MET 76 3HB MET 76 19.534 -3.217 13.792 548 1HG MET 76 2HG MET 76 17.004 -3.938 14.249 549 2HG MET 76 3HG MET 76 17.697 -5.536 14.436 550 1HE MET 76 1HE MET 76 17.493 -6.202 16.400 551 2HE MET 76 2HE MET 76 19.164 -6.145 17.009 552 3HE MET 76 3HE MET 76 17.845 -5.432 17.967 553 H GLY 77 HN GLY 77 20.762 -4.259 11.048 554 1HA GLY 77 1HA GLY 77 21.134 -2.556 9.083 555 2HA GLY 77 2HA GLY 77 21.164 -1.429 10.425 556 H LEU 78 HN LEU 78 22.352 -4.848 10.319 557 HA LEU 78 HA LEU 78 25.008 -3.784 10.979 558 1HB LEU 78 2HB LEU 78 24.077 -6.572 11.583 559 2HB LEU 78 3HB LEU 78 25.412 -5.677 12.283 560 HG LEU 78 HG LEU 78 22.456 -5.308 12.798 561 1HD1 LEU 78 1HD1 LEU 78 23.236 -7.030 14.159 562 2HD1 LEU 78 2HD1 LEU 78 24.810 -6.242 14.428 563 3HD1 LEU 78 3HD1 LEU 78 23.345 -5.593 15.203 564 1HD2 LEU 78 1HD2 LEU 78 23.854 -3.130 12.518 565 2HD2 LEU 78 2HD2 LEU 78 22.785 -3.319 13.928 566 3HD2 LEU 78 3HD2 LEU 78 24.537 -3.578 14.100 567 H ALA 79 HN ALA 79 23.520 -6.757 9.501 568 HA ALA 79 HA ALA 79 25.803 -6.938 7.731 569 1HB ALA 79 1HB ALA 79 25.340 -9.127 7.923 570 2HB ALA 79 2HB ALA 79 23.935 -8.731 8.942 571 3HB ALA 79 3HB ALA 79 23.744 -8.866 7.177 572 H TYR 80 HN TYR 80 22.295 -6.179 7.675 573 HA TYR 80 HA TYR 80 21.599 -6.270 5.123 574 1HB TYR 80 2HB TYR 80 20.079 -4.517 5.757 575 2HB TYR 80 3HB TYR 80 20.587 -5.134 7.316 576 HD1 TYR 80 HD1 TYR 80 19.604 -2.258 6.190 577 HD2 TYR 80 HD2 TYR 80 23.316 -3.911 7.528 578 HE1 TYR 80 HE1 TYR 80 20.407 0.062 6.852 579 HE2 TYR 80 HE2 TYR 80 24.107 -1.586 8.185 580 HH TYR 80 HH TYR 80 23.227 0.518 8.752 Start of MODEL 27 1 H SER 1 HN SER 1 -1.152 -2.454 13.110 2 HA SER 1 HA SER 1 -3.805 -1.815 12.395 3 1HB SER 1 2HB SER 1 -1.254 -1.013 10.936 4 2HB SER 1 3HB SER 1 -2.793 -0.176 10.909 5 HG SER 1 HG SER 1 -0.787 -0.219 12.918 6 H HIS 2 HN HIS 2 -2.719 -4.646 11.915 7 HA HIS 2 HA HIS 2 -3.047 -6.240 10.439 8 1HB HIS 2 2HB HIS 2 -4.297 -4.325 8.481 9 2HB HIS 2 3HB HIS 2 -4.626 -6.030 8.712 10 HD1 HIS 2 HD1 HIS 2 -6.581 -3.342 8.952 11 HD2 HIS 2 HD2 HIS 2 -5.278 -5.940 11.977 12 HE1 HIS 2 HE1 HIS 2 -8.270 -3.131 10.852 13 H SER 3 HN SER 3 -1.714 -7.232 8.922 14 HA SER 3 HA SER 3 0.659 -6.296 8.350 15 1HB SER 3 2HB SER 3 0.866 -7.977 6.703 16 2HB SER 3 3HB SER 3 -0.432 -8.563 7.726 17 HG SER 3 HG SER 3 -1.923 -8.180 6.162 18 H VAL 4 HN VAL 4 1.744 -5.287 6.466 19 HA VAL 4 HA VAL 4 -0.055 -3.718 4.776 20 HB VAL 4 HB VAL 4 0.603 -2.328 6.681 21 1HG1 VAL 4 1HG1 VAL 4 3.461 -2.280 5.791 22 2HG1 VAL 4 2HG1 VAL 4 2.754 -1.969 7.395 23 3HG1 VAL 4 3HG1 VAL 4 2.914 -3.639 6.801 24 1HG2 VAL 4 1HG2 VAL 4 2.238 -0.935 4.745 25 2HG2 VAL 4 2HG2 VAL 4 0.853 -1.711 3.941 26 3HG2 VAL 4 3HG2 VAL 4 0.581 -0.582 5.291 27 H LYS 5 HN LYS 5 1.990 -6.173 4.819 28 HA LYS 5 HA LYS 5 4.166 -5.515 3.264 29 1HB LYS 5 2HB LYS 5 2.553 -8.032 3.635 30 2HB LYS 5 3HB LYS 5 3.879 -7.988 2.492 31 1HG LYS 5 2HG LYS 5 4.678 -6.752 5.022 32 2HG LYS 5 3HG LYS 5 4.050 -8.364 5.302 33 1HD LYS 5 2HD LYS 5 6.372 -8.699 4.878 34 2HD LYS 5 3HD LYS 5 5.586 -9.156 3.380 35 1HE LYS 5 2HE LYS 5 6.537 -7.430 2.211 36 2HE LYS 5 3HE LYS 5 6.228 -6.270 3.487 37 1HZ LYS 5 1HZ LYS 5 8.143 -7.992 4.442 38 2HZ LYS 5 2HZ LYS 5 8.598 -7.630 2.915 39 3HZ LYS 5 3HZ LYS 5 8.347 -6.434 3.999 40 H ILE 6 HN ILE 6 4.504 -5.004 1.145 41 HA ILE 6 HA ILE 6 2.584 -3.966 -0.422 42 HB ILE 6 HB ILE 6 4.100 -4.201 -2.270 43 1HG1 ILE 6 2HG1 ILE 6 4.617 -6.712 -1.420 44 2HG1 ILE 6 3HG1 ILE 6 5.613 -5.840 -2.568 45 1HG2 ILE 6 1HG2 ILE 6 5.736 -3.838 0.251 46 2HG2 ILE 6 2HG2 ILE 6 6.021 -3.121 -1.353 47 3HG2 ILE 6 3HG2 ILE 6 4.608 -2.620 -0.393 48 1HD1 ILE 6 1HD1 ILE 6 7.089 -5.055 -0.732 49 2HD1 ILE 6 2HD1 ILE 6 6.066 -5.903 0.452 50 3HD1 ILE 6 3HD1 ILE 6 6.988 -6.832 -0.754 51 H TYR 7 HN TYR 7 1.123 -4.639 -2.015 52 HA TYR 7 HA TYR 7 1.001 -7.190 -3.089 53 1HB TYR 7 2HB TYR 7 -0.245 -6.680 -0.384 54 2HB TYR 7 3HB TYR 7 -1.285 -7.510 -1.524 55 HD1 TYR 7 HD1 TYR 7 0.835 -8.079 1.105 56 HD2 TYR 7 HD2 TYR 7 0.174 -9.454 -2.892 57 HE1 TYR 7 HE1 TYR 7 1.969 -10.283 1.668 58 HE2 TYR 7 HE2 TYR 7 1.310 -11.654 -2.316 59 HH TYR 7 HH TYR 7 2.252 -12.383 0.989 60 H ASP 8 HN ASP 8 -1.409 -7.644 -3.906 61 HA ASP 8 HA ASP 8 -2.169 -5.174 -5.129 62 1HB ASP 8 2HB ASP 8 -3.477 -6.523 -6.615 63 2HB ASP 8 3HB ASP 8 -2.011 -7.436 -6.317 64 H THR 9 HN THR 9 -2.640 -5.193 -2.302 65 HA THR 9 HA THR 9 -5.504 -5.744 -2.023 66 HB THR 9 HB THR 9 -3.896 -6.692 -0.347 67 HG1 THR 9 1HG THR 9 -5.011 -5.380 1.480 68 1HG2 THR 9 1HG2 THR 9 -2.684 -4.106 -0.521 69 2HG2 THR 9 2HG2 THR 9 -3.434 -4.197 1.091 70 3HG2 THR 9 3HG2 THR 9 -2.244 -5.424 0.591 71 H CYS 10 HN CYS 10 -6.419 -4.058 -3.224 72 HA CYS 10 HA CYS 10 -6.375 -1.559 -1.780 73 1HB CYS 10 2HB CYS 10 -4.561 -1.444 -3.580 74 2HB CYS 10 3HB CYS 10 -5.852 -1.512 -4.763 75 H ILE 11 HN ILE 11 -8.335 -0.306 -2.231 76 HA ILE 11 HA ILE 11 -10.330 -1.850 -3.738 77 HB ILE 11 HB ILE 11 -11.999 -1.096 -2.158 78 1HG1 ILE 11 2HG1 ILE 11 -10.871 -0.139 0.081 79 2HG1 ILE 11 3HG1 ILE 11 -9.738 0.524 -1.080 80 1HG2 ILE 11 1HG2 ILE 11 -11.039 -2.299 -0.082 81 2HG2 ILE 11 2HG2 ILE 11 -11.195 -3.208 -1.605 82 3HG2 ILE 11 3HG2 ILE 11 -9.606 -2.583 -1.099 83 1HD1 ILE 11 1HD1 ILE 11 -11.254 2.030 -1.880 84 2HD1 ILE 11 2HD1 ILE 11 -12.563 0.824 -1.918 85 3HD1 ILE 11 3HD1 ILE 11 -12.171 1.666 -0.399 86 H GLY 12 HN GLY 12 -9.074 1.368 -2.738 87 1HA GLY 12 1HA GLY 12 -8.969 2.806 -4.847 88 2HA GLY 12 2HA GLY 12 -10.710 2.600 -4.861 89 H CYS 13 HN CYS 13 -8.473 3.003 -2.037 90 HA CYS 13 HA CYS 13 -10.002 5.417 -1.385 91 1HB CYS 13 2HB CYS 13 -10.209 4.750 0.751 92 2HB CYS 13 3HB CYS 13 -9.854 3.148 0.134 93 H THR 14 HN THR 14 -8.400 6.667 0.419 94 HA THR 14 HA THR 14 -5.913 7.079 -1.093 95 HB THR 14 HB THR 14 -6.016 9.351 0.007 96 HG1 THR 14 1HG THR 14 -7.376 9.349 1.751 97 1HG2 THR 14 1HG2 THR 14 -7.152 9.609 -2.024 98 2HG2 THR 14 2HG2 THR 14 -8.293 8.291 -1.666 99 3HG2 THR 14 3HG2 THR 14 -8.506 9.883 -0.901 100 H GLN 15 HN GLN 15 -7.288 6.397 2.135 101 HA GLN 15 HA GLN 15 -5.267 6.817 3.770 102 1HB GLN 15 2HB GLN 15 -6.409 5.454 5.193 103 2HB GLN 15 3HB GLN 15 -7.572 5.333 3.886 104 1HG GLN 15 2HG GLN 15 -6.153 3.342 3.012 105 2HG GLN 15 3HG GLN 15 -5.326 3.386 4.556 106 1HE2 GLN 15 1HE2 GLN 15 -6.300 1.142 4.422 107 2HE2 GLN 15 2HE2 GLN 15 -7.846 0.901 5.164 108 H CYS 16 HN CYS 16 -3.312 5.772 4.469 109 HA CYS 16 HA CYS 16 -1.624 4.305 4.368 110 1HB CYS 16 2HB CYS 16 -1.743 2.318 3.297 111 2HB CYS 16 3HB CYS 16 -3.424 2.762 3.070 112 H VAL 17 HN VAL 17 -2.827 5.633 1.215 113 HA VAL 17 HA VAL 17 -0.100 6.272 0.448 114 HB VAL 17 HB VAL 17 -2.739 6.627 -0.987 115 1HG1 VAL 17 1HG1 VAL 17 -1.439 8.087 -2.163 116 2HG1 VAL 17 2HG1 VAL 17 0.083 7.296 -1.685 117 3HG1 VAL 17 3HG1 VAL 17 -0.929 6.583 -2.965 118 1HG2 VAL 17 1HG2 VAL 17 -0.886 4.335 -0.692 119 2HG2 VAL 17 2HG2 VAL 17 -2.621 4.370 -1.086 120 3HG2 VAL 17 3HG2 VAL 17 -1.414 4.686 -2.356 121 H ARG 18 HN ARG 18 -1.848 7.545 2.732 122 HA ARG 18 HA ARG 18 -1.348 10.261 1.816 123 1HB ARG 18 2HB ARG 18 -3.841 9.106 2.667 124 2HB ARG 18 3HB ARG 18 -3.340 10.206 3.935 125 1HG ARG 18 2HG ARG 18 -4.709 11.381 2.232 126 2HG ARG 18 3HG ARG 18 -3.088 12.045 2.300 127 1HD ARG 18 2HD ARG 18 -2.843 9.990 0.405 128 2HD ARG 18 3HD ARG 18 -4.443 10.629 0.085 129 HE ARG 18 HE ARG 18 -1.900 12.005 -0.347 130 1HH1 ARG 18 1HH1 ARG 18 -3.440 14.965 -1.366 131 2HH1 ARG 18 2HH1 ARG 18 -1.952 14.083 -1.295 132 1HH2 ARG 18 1HH2 ARG 18 -5.382 14.036 -0.499 133 2HH2 ARG 18 2HH2 ARG 18 -5.342 12.460 0.220 134 H ALA 19 HN ALA 19 -2.091 8.340 4.829 135 HA ALA 19 HA ALA 19 -0.928 9.958 6.669 136 1HB ALA 19 1HB ALA 19 -1.960 7.341 6.531 137 2HB ALA 19 2HB ALA 19 -0.323 7.159 7.207 138 3HB ALA 19 3HB ALA 19 -1.499 8.234 7.999 139 H CYS 20 HN CYS 20 0.703 7.278 4.829 140 HA CYS 20 HA CYS 20 3.173 7.429 5.832 141 1HB CYS 20 2HB CYS 20 2.299 5.950 3.943 142 2HB CYS 20 3HB CYS 20 2.693 7.259 2.847 143 HA PRO 21 HA PRO 21 3.997 11.702 4.933 144 1HB PRO 21 2HB PRO 21 5.969 12.044 6.794 145 2HB PRO 21 3HB PRO 21 4.269 12.281 7.145 146 1HG PRO 21 2HG PRO 21 6.022 10.028 7.911 147 2HG PRO 21 3HG PRO 21 4.475 10.495 8.590 148 1HD PRO 21 2HD PRO 21 4.972 8.322 6.785 149 2HD PRO 21 3HD PRO 21 3.411 8.860 7.372 150 H LEU 22 HN LEU 22 6.540 9.320 5.434 151 HA LEU 22 HA LEU 22 8.448 10.706 3.931 152 1HB LEU 22 2HB LEU 22 8.239 7.726 4.373 153 2HB LEU 22 3HB LEU 22 9.677 8.634 3.949 154 HG LEU 22 HG LEU 22 8.807 9.850 6.302 155 1HD1 LEU 22 1HD1 LEU 22 8.834 7.603 7.740 156 2HD1 LEU 22 2HD1 LEU 22 7.330 8.345 7.146 157 3HD1 LEU 22 3HD1 LEU 22 8.049 6.972 6.272 158 1HD2 LEU 22 1HD2 LEU 22 10.753 8.064 7.111 159 2HD2 LEU 22 2HD2 LEU 22 11.047 8.226 5.363 160 3HD2 LEU 22 3HD2 LEU 22 11.028 9.673 6.400 161 H ASP 23 HN ASP 23 5.509 9.202 3.007 162 HA ASP 23 HA ASP 23 4.585 8.824 1.083 163 1HB ASP 23 2HB ASP 23 6.854 10.616 0.300 164 2HB ASP 23 3HB ASP 23 6.121 9.711 -1.009 165 H VAL 24 HN VAL 24 5.539 6.547 1.884 166 HA VAL 24 HA VAL 24 7.568 5.554 0.041 167 HB VAL 24 HB VAL 24 6.313 4.489 2.570 168 1HG1 VAL 24 1HG1 VAL 24 6.735 2.683 0.844 169 2HG1 VAL 24 2HG1 VAL 24 8.463 3.097 0.949 170 3HG1 VAL 24 3HG1 VAL 24 7.603 2.492 2.386 171 1HG2 VAL 24 1HG2 VAL 24 8.090 5.336 3.631 172 2HG2 VAL 24 2HG2 VAL 24 9.218 4.633 2.448 173 3HG2 VAL 24 3HG2 VAL 24 8.467 6.214 2.130 174 H LEU 25 HN LEU 25 4.182 4.910 1.153 175 HA LEU 25 HA LEU 25 3.741 2.802 -0.640 176 1HB LEU 25 2HB LEU 25 1.904 4.674 0.843 177 2HB LEU 25 3HB LEU 25 1.312 3.378 -0.176 178 HG LEU 25 HG LEU 25 3.086 2.035 1.434 179 1HD1 LEU 25 1HD1 LEU 25 3.158 2.812 3.581 180 2HD1 LEU 25 2HD1 LEU 25 3.142 4.359 2.700 181 3HD1 LEU 25 3HD1 LEU 25 1.642 3.732 3.424 182 1HD2 LEU 25 1HD2 LEU 25 0.286 2.142 0.968 183 2HD2 LEU 25 2HD2 LEU 25 1.254 0.807 1.639 184 3HD2 LEU 25 3HD2 LEU 25 0.537 2.021 2.726 185 H GLU 26 HN GLU 26 4.407 3.238 -2.745 186 HA GLU 26 HA GLU 26 3.172 5.566 -3.972 187 1HB GLU 26 2HB GLU 26 5.491 3.820 -4.908 188 2HB GLU 26 3HB GLU 26 4.857 5.188 -5.802 189 1HG GLU 26 2HG GLU 26 5.753 5.524 -2.919 190 2HG GLU 26 3HG GLU 26 6.930 5.546 -4.218 191 H MET 27 HN MET 27 3.237 4.755 -6.683 192 HA MET 27 HA MET 27 1.125 2.768 -6.597 193 1HB MET 27 2HB MET 27 0.628 3.663 -8.916 194 2HB MET 27 3HB MET 27 0.576 4.912 -7.689 195 1HG MET 27 2HG MET 27 2.292 6.058 -8.656 196 2HG MET 27 3HG MET 27 3.298 4.626 -8.732 197 1HE MET 27 1HE MET 27 4.319 5.507 -10.757 198 2HE MET 27 2HE MET 27 3.600 5.548 -12.385 199 3HE MET 27 3HE MET 27 3.271 6.864 -11.234 200 H VAL 28 HN VAL 28 1.252 0.795 -7.685 201 HA VAL 28 HA VAL 28 3.733 0.344 -9.193 202 HB VAL 28 HB VAL 28 4.133 -1.630 -8.120 203 1HG1 VAL 28 1HG1 VAL 28 4.153 -1.236 -5.791 204 2HG1 VAL 28 2HG1 VAL 28 4.174 0.381 -6.534 205 3HG1 VAL 28 3HG1 VAL 28 2.662 -0.268 -5.856 206 1HG2 VAL 28 1HG2 VAL 28 1.925 -2.629 -8.575 207 2HG2 VAL 28 2HG2 VAL 28 2.490 -2.990 -6.925 208 3HG2 VAL 28 3HG2 VAL 28 1.245 -1.745 -7.188 209 HA PRO 29 HA PRO 29 1.206 -1.354 -12.262 210 1HB PRO 29 2HB PRO 29 2.578 -3.525 -13.196 211 2HB PRO 29 3HB PRO 29 2.984 -1.876 -13.629 212 1HG PRO 29 2HG PRO 29 4.374 -3.698 -11.761 213 2HG PRO 29 3HG PRO 29 4.975 -2.239 -12.522 214 1HD PRO 29 2HD PRO 29 4.105 -2.522 -9.804 215 2HD PRO 29 3HD PRO 29 4.597 -1.039 -10.598 216 H TRP 30 HN TRP 30 -0.798 -2.069 -11.953 217 HA TRP 30 HA TRP 30 -0.938 -4.763 -10.784 218 1HB TRP 30 2HB TRP 30 -1.551 -3.157 -9.083 219 2HB TRP 30 3HB TRP 30 -2.683 -2.373 -10.168 220 HD1 TRP 30 HD1 TRP 30 -5.083 -3.008 -9.371 221 HE1 TRP 30 HE1 TRP 30 -6.403 -5.142 -8.555 222 HE3 TRP 30 HE3 TRP 30 -1.090 -6.155 -9.457 223 HZ2 TRP 30 HZ2 TRP 30 -5.646 -7.846 -8.046 224 HZ3 TRP 30 HZ3 TRP 30 -1.467 -8.526 -8.786 225 HH2 TRP 30 HH2 TRP 30 -3.648 -9.386 -8.098 226 H ASP 31 HN ASP 31 -3.987 -3.389 -11.365 227 HA ASP 31 HA ASP 31 -4.306 -3.337 -14.031 228 1HB ASP 31 2HB ASP 31 -3.558 -5.943 -13.377 229 2HB ASP 31 3HB ASP 31 -5.306 -6.061 -13.396 230 H GLY 32 HN GLY 32 -5.630 -5.149 -11.157 231 1HA GLY 32 1HA GLY 32 -8.341 -4.822 -11.680 232 2HA GLY 32 2HA GLY 32 -7.612 -5.062 -10.104 233 H CYS 33 HN CYS 33 -5.951 -2.425 -10.935 234 HA CYS 33 HA CYS 33 -7.745 -0.700 -9.521 235 1HB CYS 33 2HB CYS 33 -4.892 -0.776 -10.127 236 2HB CYS 33 3HB CYS 33 -5.560 0.824 -10.381 237 HG CYS 33 HG CYS 33 -4.769 -0.671 -7.772 238 H LYS 34 HN LYS 34 -8.420 1.444 -10.404 239 HA LYS 34 HA LYS 34 -9.571 1.227 -12.917 240 1HB LYS 34 2HB LYS 34 -9.421 3.161 -10.765 241 2HB LYS 34 3HB LYS 34 -9.327 3.969 -12.316 242 1HG LYS 34 2HG LYS 34 -11.358 1.803 -12.228 243 2HG LYS 34 3HG LYS 34 -11.672 3.105 -11.098 244 1HD LYS 34 2HD LYS 34 -12.442 4.396 -12.792 245 2HD LYS 34 3HD LYS 34 -10.865 4.342 -13.554 246 1HE LYS 34 2HE LYS 34 -11.457 2.594 -14.994 247 2HE LYS 34 3HE LYS 34 -12.629 1.922 -13.879 248 1HZ LYS 34 1HZ LYS 34 -12.931 4.201 -15.667 249 2HZ LYS 34 2HZ LYS 34 -13.919 2.917 -15.463 250 3HZ LYS 34 3HZ LYS 34 -13.870 4.096 -14.334 251 H ALA 35 HN ALA 35 -6.338 2.204 -11.897 252 HA ALA 35 HA ALA 35 -5.779 2.963 -14.682 253 1HB ALA 35 1HB ALA 35 -5.410 4.881 -13.337 254 2HB ALA 35 2HB ALA 35 -4.664 3.926 -12.034 255 3HB ALA 35 3HB ALA 35 -3.793 4.173 -13.565 256 H GLY 36 HN GLY 36 -5.908 0.244 -13.266 257 1HA GLY 36 1HA GLY 36 -4.694 -1.645 -13.121 258 2HA GLY 36 2HA GLY 36 -3.863 -1.046 -14.543 259 H GLN 37 HN GLN 37 -3.888 0.414 -11.237 260 HA GLN 37 HA GLN 37 -1.180 -0.501 -10.859 261 1HB GLN 37 2HB GLN 37 -0.424 1.845 -10.286 262 2HB GLN 37 3HB GLN 37 -0.758 1.589 -11.987 263 1HG GLN 37 2HG GLN 37 -2.221 3.316 -11.927 264 2HG GLN 37 3HG GLN 37 -3.243 2.380 -10.854 265 1HE2 GLN 37 1HE2 GLN 37 -3.399 2.879 -8.752 266 2HE2 GLN 37 2HE2 GLN 37 -2.580 4.186 -7.964 267 H ILE 38 HN ILE 38 -0.987 -1.222 -8.782 268 HA ILE 38 HA ILE 38 -3.018 -0.311 -6.887 269 HB ILE 38 HB ILE 38 -2.623 -2.765 -7.501 270 1HG1 ILE 38 2HG1 ILE 38 -2.553 -3.063 -4.717 271 2HG1 ILE 38 3HG1 ILE 38 -3.230 -1.466 -4.969 272 1HG2 ILE 38 1HG2 ILE 38 -0.879 -3.837 -5.987 273 2HG2 ILE 38 2HG2 ILE 38 -0.281 -2.986 -7.431 274 3HG2 ILE 38 3HG2 ILE 38 -0.168 -2.213 -5.832 275 1HD1 ILE 38 1HD1 ILE 38 -4.210 -3.985 -6.389 276 2HD1 ILE 38 2HD1 ILE 38 -4.973 -3.270 -4.949 277 3HD1 ILE 38 3HD1 ILE 38 -4.944 -2.366 -6.481 278 H ALA 39 HN ALA 39 -2.477 0.608 -4.886 279 HA ALA 39 HA ALA 39 0.005 2.001 -4.872 280 1HB ALA 39 1HB ALA 39 -2.303 1.738 -2.911 281 2HB ALA 39 2HB ALA 39 -0.890 2.781 -2.624 282 3HB ALA 39 3HB ALA 39 -1.956 3.091 -4.015 283 H SER 40 HN SER 40 1.919 1.087 -4.329 284 HA SER 40 HA SER 40 2.065 -0.385 -1.905 285 1HB SER 40 2HB SER 40 2.601 -1.772 -4.564 286 2HB SER 40 3HB SER 40 3.210 -2.378 -3.037 287 HG SER 40 HG SER 40 0.612 -1.917 -2.612 288 H SER 41 HN SER 41 4.504 -1.126 -1.586 289 HA SER 41 HA SER 41 6.050 1.170 -2.155 290 1HB SER 41 2HB SER 41 6.348 -1.340 -0.567 291 2HB SER 41 3HB SER 41 7.848 -0.627 -1.124 292 HG SER 41 HG SER 41 5.880 1.063 0.097 293 HA PRO 42 HA PRO 42 7.717 -0.428 -5.880 294 1HB PRO 42 2HB PRO 42 9.379 1.655 -6.483 295 2HB PRO 42 3HB PRO 42 7.673 1.644 -6.882 296 1HG PRO 42 2HG PRO 42 9.064 3.130 -4.738 297 2HG PRO 42 3HG PRO 42 7.475 3.418 -5.420 298 1HD PRO 42 2HD PRO 42 8.063 2.182 -2.899 299 2HD PRO 42 3HD PRO 42 6.483 2.365 -3.634 300 H ARG 43 HN ARG 43 10.065 1.145 -3.753 301 HA ARG 43 HA ARG 43 11.568 -1.318 -3.918 302 1HB ARG 43 2HB ARG 43 12.842 1.438 -4.299 303 2HB ARG 43 3HB ARG 43 13.690 -0.095 -4.311 304 1HG ARG 43 2HG ARG 43 11.606 -0.403 -6.214 305 2HG ARG 43 3HG ARG 43 12.215 1.219 -6.475 306 1HD ARG 43 2HD ARG 43 13.758 0.103 -7.783 307 2HD ARG 43 3HD ARG 43 14.598 -0.060 -6.254 308 HE ARG 43 HE ARG 43 12.812 -2.244 -6.401 309 1HH1 ARG 43 1HH1 ARG 43 14.869 -4.485 -8.112 310 2HH1 ARG 43 2HH1 ARG 43 13.467 -4.316 -7.107 311 1HH2 ARG 43 1HH2 ARG 43 16.080 -2.608 -8.738 312 2HH2 ARG 43 2HH2 ARG 43 15.583 -1.038 -8.202 313 H THR 44 HN THR 44 9.890 0.617 -2.004 314 HA THR 44 HA THR 44 10.028 1.448 0.079 315 HB THR 44 HB THR 44 11.548 -1.201 0.316 316 HG1 THR 44 1HG THR 44 8.773 -0.310 0.673 317 1HG2 THR 44 1HG2 THR 44 10.431 -1.186 2.629 318 2HG2 THR 44 2HG2 THR 44 11.786 -0.046 2.451 319 3HG2 THR 44 3HG2 THR 44 10.110 0.546 2.375 320 H GLU 45 HN GLU 45 12.274 2.215 -1.832 321 HA GLU 45 HA GLU 45 14.687 2.292 -0.693 322 1HB GLU 45 2HB GLU 45 14.989 4.513 -1.862 323 2HB GLU 45 3HB GLU 45 14.312 3.254 -2.875 324 1HG GLU 45 2HG GLU 45 12.120 4.184 -2.792 325 2HG GLU 45 3HG GLU 45 12.469 5.126 -1.357 326 H ASP 46 HN ASP 46 11.783 4.120 0.279 327 HA ASP 46 HA ASP 46 13.379 5.549 2.229 328 1HB ASP 46 2HB ASP 46 11.041 6.159 0.681 329 2HB ASP 46 3HB ASP 46 10.530 6.122 2.358 330 H CYS 47 HN CYS 47 11.223 5.940 4.154 331 HA CYS 47 HA CYS 47 10.130 4.988 5.813 332 1HB CYS 47 2HB CYS 47 8.994 3.559 4.135 333 2HB CYS 47 3HB CYS 47 10.275 2.373 4.276 334 H VAL 48 HN VAL 48 10.905 4.285 7.840 335 HA VAL 48 HA VAL 48 13.070 2.412 7.974 336 HB VAL 48 HB VAL 48 14.613 3.955 9.100 337 1HG1 VAL 48 1HG1 VAL 48 13.908 4.963 6.326 338 2HG1 VAL 48 2HG1 VAL 48 15.501 4.987 7.120 339 3HG1 VAL 48 3HG1 VAL 48 14.766 3.436 6.645 340 1HG2 VAL 48 1HG2 VAL 48 14.206 6.143 9.526 341 2HG2 VAL 48 2HG2 VAL 48 13.284 6.379 8.022 342 3HG2 VAL 48 3HG2 VAL 48 12.505 5.626 9.434 343 H GLY 49 HN GLY 49 10.535 2.055 8.877 344 1HA GLY 49 1HA GLY 49 9.513 1.341 10.764 345 2HA GLY 49 2HA GLY 49 10.927 1.792 11.695 346 H CYS 50 HN CYS 50 8.160 3.297 9.884 347 HA CYS 50 HA CYS 50 8.048 5.274 12.044 348 1HB CYS 50 2HB CYS 50 8.297 6.941 10.590 349 2HB CYS 50 3HB CYS 50 8.558 5.781 9.303 350 H LYS 51 HN LYS 51 6.184 4.929 13.202 351 HA LYS 51 HA LYS 51 4.098 3.323 12.084 352 1HB LYS 51 2HB LYS 51 4.992 4.154 14.692 353 2HB LYS 51 3HB LYS 51 3.283 4.504 14.533 354 1HG LYS 51 2HG LYS 51 3.011 2.300 15.089 355 2HG LYS 51 3HG LYS 51 3.356 2.011 13.395 356 1HD LYS 51 2HD LYS 51 4.933 0.597 14.359 357 2HD LYS 51 3HD LYS 51 5.896 2.054 14.212 358 1HE LYS 51 2HE LYS 51 4.799 2.548 16.645 359 2HE LYS 51 3HE LYS 51 4.712 0.798 16.675 360 1HZ LYS 51 1HZ LYS 51 7.040 2.502 16.635 361 2HZ LYS 51 2HZ LYS 51 6.798 1.087 17.412 362 3HZ LYS 51 3HZ LYS 51 7.158 1.092 15.819 363 H ARG 52 HN ARG 52 3.453 4.576 10.226 364 HA ARG 52 HA ARG 52 1.822 6.840 11.045 365 1HB ARG 52 2HB ARG 52 3.784 6.600 8.750 366 2HB ARG 52 3HB ARG 52 2.369 7.609 8.531 367 1HG ARG 52 2HG ARG 52 4.142 7.906 10.985 368 2HG ARG 52 3HG ARG 52 4.537 8.716 9.482 369 1HD ARG 52 2HD ARG 52 2.847 10.255 9.718 370 2HD ARG 52 3HD ARG 52 1.697 9.056 10.276 371 HE ARG 52 HE ARG 52 3.817 9.720 12.216 372 1HH1 ARG 52 1HH1 ARG 52 1.551 11.308 14.342 373 2HH1 ARG 52 2HH1 ARG 52 3.160 10.687 14.179 374 1HH2 ARG 52 1HH2 ARG 52 0.063 11.156 12.568 375 2HH2 ARG 52 2HH2 ARG 52 0.561 10.423 11.080 376 H CYS 53 HN CYS 53 2.520 4.555 8.291 377 HA CYS 53 HA CYS 53 0.246 4.715 6.902 378 1HB CYS 53 2HB CYS 53 0.549 2.152 6.545 379 2HB CYS 53 3HB CYS 53 1.803 3.253 6.008 380 H GLU 54 HN GLU 54 0.724 2.163 9.460 381 HA GLU 54 HA GLU 54 -0.884 0.935 10.415 382 1HB GLU 54 2HB GLU 54 -1.850 2.194 12.326 383 2HB GLU 54 3HB GLU 54 -0.156 2.577 12.089 384 1HG GLU 54 2HG GLU 54 -0.591 4.758 11.517 385 2HG GLU 54 3HG GLU 54 -1.988 4.332 10.547 386 H THR 55 HN THR 55 -2.023 0.751 8.165 387 HA THR 55 HA THR 55 -4.794 1.027 8.596 388 HB THR 55 HB THR 55 -4.083 3.450 8.076 389 HG1 THR 55 1HG THR 55 -5.790 1.828 6.326 390 1HG2 THR 55 1HG2 THR 55 -3.804 2.269 5.263 391 2HG2 THR 55 2HG2 THR 55 -3.694 3.989 5.708 392 3HG2 THR 55 3HG2 THR 55 -2.429 2.851 6.234 393 H ALA 56 HN ALA 56 -2.248 0.913 6.019 394 HA ALA 56 HA ALA 56 -2.182 -0.316 4.149 395 1HB ALA 56 1HB ALA 56 -2.497 -2.138 6.500 396 2HB ALA 56 2HB ALA 56 -2.585 -2.876 4.883 397 3HB ALA 56 3HB ALA 56 -1.137 -1.961 5.366 398 H CYS 57 HN CYS 57 -4.501 -2.664 5.425 399 HA CYS 57 HA CYS 57 -6.804 -1.524 4.320 400 1HB CYS 57 2HB CYS 57 -5.100 -2.709 2.362 401 2HB CYS 57 3HB CYS 57 -6.478 -3.773 2.564 402 HA PRO 58 HA PRO 58 -8.431 -4.970 6.449 403 1HB PRO 58 2HB PRO 58 -10.602 -5.815 5.020 404 2HB PRO 58 3HB PRO 58 -10.626 -4.399 6.051 405 1HG PRO 58 2HG PRO 58 -10.524 -4.542 3.100 406 2HG PRO 58 3HG PRO 58 -10.971 -3.188 4.119 407 1HD PRO 58 2HD PRO 58 -8.484 -3.547 2.736 408 2HD PRO 58 3HD PRO 58 -8.889 -2.253 3.847 409 H THR 59 HN THR 59 -9.695 -7.360 5.867 410 HA THR 59 HA THR 59 -7.369 -8.804 4.875 411 HB THR 59 HB THR 59 -9.972 -9.755 6.181 412 HG1 THR 59 1HG THR 59 -8.535 -9.703 8.069 413 1HG2 THR 59 1HG2 THR 59 -9.054 -11.863 6.223 414 2HG2 THR 59 2HG2 THR 59 -8.012 -11.282 4.901 415 3HG2 THR 59 3HG2 THR 59 -7.430 -11.231 6.583 416 H ASP 60 HN ASP 60 -10.246 -7.473 3.632 417 HA ASP 60 HA ASP 60 -11.376 -9.254 2.061 418 1HB ASP 60 2HB ASP 60 -10.953 -6.412 2.002 419 2HB ASP 60 3HB ASP 60 -10.706 -6.992 0.367 420 H PHE 61 HN PHE 61 -8.057 -7.991 1.818 421 HA PHE 61 HA PHE 61 -7.648 -9.679 -0.550 422 1HB PHE 61 2HB PHE 61 -6.831 -6.891 0.269 423 2HB PHE 61 3HB PHE 61 -5.574 -7.830 -0.512 424 HD1 PHE 61 1HD PHE 61 -8.377 -5.736 -1.026 425 HD2 PHE 61 2HD PHE 61 -6.204 -8.928 -2.785 426 HE1 PHE 61 1HE PHE 61 -9.336 -5.152 -3.271 427 HE2 PHE 61 2HE PHE 61 -7.163 -8.343 -5.030 428 HZ PHE 61 HZ PHE 61 -8.717 -6.462 -5.246 429 H LEU 62 HN LEU 62 -5.723 -8.011 2.054 430 HA LEU 62 HA LEU 62 -3.558 -9.606 2.068 431 1HB LEU 62 2HB LEU 62 -5.009 -8.355 4.400 432 2HB LEU 62 3HB LEU 62 -3.417 -9.078 4.523 433 HG LEU 62 HG LEU 62 -4.008 -6.845 2.576 434 1HD1 LEU 62 1HD1 LEU 62 -4.598 -6.214 4.951 435 2HD1 LEU 62 2HD1 LEU 62 -2.879 -6.450 5.353 436 3HD1 LEU 62 3HD1 LEU 62 -3.354 -5.213 4.165 437 1HD2 LEU 62 1HD2 LEU 62 -1.902 -7.126 1.951 438 2HD2 LEU 62 2HD2 LEU 62 -1.353 -6.833 3.619 439 3HD2 LEU 62 3HD2 LEU 62 -1.742 -8.487 3.088 440 H SER 63 HN SER 63 -3.162 -11.739 2.294 441 HA SER 63 HA SER 63 -4.931 -13.218 4.046 442 1HB SER 63 2HB SER 63 -4.536 -13.668 1.102 443 2HB SER 63 3HB SER 63 -4.626 -15.093 2.119 444 HG SER 63 HG SER 63 -6.596 -12.967 2.052 445 H ILE 64 HN ILE 64 -2.106 -13.553 1.765 446 HA ILE 64 HA ILE 64 -0.846 -15.637 2.967 447 HB ILE 64 HB ILE 64 0.284 -13.201 1.594 448 1HG1 ILE 64 2HG1 ILE 64 -1.291 -14.653 0.306 449 2HG1 ILE 64 3HG1 ILE 64 0.318 -14.539 -0.378 450 1HG2 ILE 64 1HG2 ILE 64 1.694 -15.791 2.296 451 2HG2 ILE 64 2HG2 ILE 64 2.342 -14.491 1.268 452 3HG2 ILE 64 3HG2 ILE 64 2.022 -14.186 2.992 453 1HD1 ILE 64 1HD1 ILE 64 -1.048 -16.907 0.202 454 2HD1 ILE 64 2HD1 ILE 64 0.697 -16.767 -0.122 455 3HD1 ILE 64 3HD1 ILE 64 0.099 -16.753 1.554 456 H ARG 65 HN ARG 65 0.289 -12.234 3.507 457 HA ARG 65 HA ARG 65 1.170 -13.109 6.104 458 1HB ARG 65 2HB ARG 65 1.576 -10.393 4.759 459 2HB ARG 65 3HB ARG 65 2.449 -11.002 6.152 460 1HG ARG 65 2HG ARG 65 3.345 -12.884 4.732 461 2HG ARG 65 3HG ARG 65 2.519 -12.206 3.344 462 1HD ARG 65 2HD ARG 65 3.852 -9.978 4.107 463 2HD ARG 65 3HD ARG 65 4.933 -11.162 4.816 464 HE ARG 65 HE ARG 65 4.620 -10.601 1.992 465 1HH1 ARG 65 1HH1 ARG 65 6.482 -13.358 0.938 466 2HH1 ARG 65 2HH1 ARG 65 5.798 -11.837 0.472 467 1HH2 ARG 65 1HH2 ARG 65 6.204 -14.142 3.105 468 2HH2 ARG 65 2HH2 ARG 65 5.312 -13.205 4.257 469 H VAL 66 HN VAL 66 0.257 -12.387 8.052 470 HA VAL 66 HA VAL 66 -1.870 -10.377 7.796 471 HB VAL 66 HB VAL 66 -1.842 -12.899 9.464 472 1HG1 VAL 66 1HG1 VAL 66 -4.406 -11.649 9.415 473 2HG1 VAL 66 2HG1 VAL 66 -3.338 -11.941 10.809 474 3HG1 VAL 66 3HG1 VAL 66 -3.207 -10.421 9.892 475 1HG2 VAL 66 1HG2 VAL 66 -2.838 -13.896 7.738 476 2HG2 VAL 66 2HG2 VAL 66 -4.133 -12.676 7.773 477 3HG2 VAL 66 3HG2 VAL 66 -2.682 -12.406 6.778 478 H TYR 67 HN TYR 67 0.907 -9.837 8.323 479 HA TYR 67 HA TYR 67 0.600 -8.755 11.015 480 1HB TYR 67 2HB TYR 67 3.189 -9.476 11.127 481 2HB TYR 67 3HB TYR 67 1.956 -10.657 11.521 482 HD1 TYR 67 HD1 TYR 67 4.244 -9.504 8.830 483 HD2 TYR 67 HD2 TYR 67 1.658 -12.624 10.201 484 HE1 TYR 67 HE1 TYR 67 5.134 -11.049 7.017 485 HE2 TYR 67 HE2 TYR 67 2.556 -14.158 8.384 486 HH TYR 67 HH TYR 67 5.168 -13.079 6.244 487 H LEU 68 HN LEU 68 2.040 -6.920 11.438 488 HA LEU 68 HA LEU 68 2.220 -5.199 9.269 489 1HB LEU 68 2HB LEU 68 2.975 -5.224 12.102 490 2HB LEU 68 3HB LEU 68 3.998 -4.205 11.110 491 HG LEU 68 HG LEU 68 0.975 -4.014 11.166 492 1HD1 LEU 68 1HD1 LEU 68 2.890 -2.136 12.556 493 2HD1 LEU 68 2HD1 LEU 68 1.118 -2.227 12.699 494 3HD1 LEU 68 3HD1 LEU 68 2.133 -3.525 13.374 495 1HD2 LEU 68 1HD2 LEU 68 2.964 -1.966 10.172 496 2HD2 LEU 68 2HD2 LEU 68 2.220 -3.194 9.119 497 3HD2 LEU 68 3HD2 LEU 68 1.198 -1.997 9.951 498 H GLY 69 HN GLY 69 4.663 -4.002 9.123 499 1HA GLY 69 1HA GLY 69 6.070 -5.428 7.284 500 2HA GLY 69 2HA GLY 69 6.757 -4.180 8.303 501 H ALA 70 HN ALA 70 6.011 -5.894 10.788 502 HA ALA 70 HA ALA 70 6.960 -7.413 12.088 503 1HB ALA 70 1HB ALA 70 8.402 -9.138 10.369 504 2HB ALA 70 2HB ALA 70 6.774 -9.394 11.042 505 3HB ALA 70 3HB ALA 70 6.969 -8.621 9.450 506 H GLU 71 HN GLU 71 9.347 -7.202 9.351 507 HA GLU 71 HA GLU 71 11.419 -6.559 9.283 508 1HB GLU 71 2HB GLU 71 10.645 -4.368 10.032 509 2HB GLU 71 3HB GLU 71 10.652 -4.882 11.708 510 1HG GLU 71 2HG GLU 71 13.266 -5.366 10.484 511 2HG GLU 71 3HG GLU 71 12.794 -3.692 10.270 512 H THR 72 HN THR 72 11.304 -6.279 12.876 513 HA THR 72 HA THR 72 12.735 -7.202 14.363 514 HB THR 72 HB THR 72 12.168 -9.703 14.569 515 HG1 THR 72 1HG THR 72 11.485 -10.500 12.623 516 1HG2 THR 72 1HG2 THR 72 9.478 -8.868 14.075 517 2HG2 THR 72 2HG2 THR 72 10.315 -8.913 15.646 518 3HG2 THR 72 3HG2 THR 72 10.342 -7.428 14.665 519 H THR 73 HN THR 73 14.014 -6.621 11.769 520 HA THR 73 HA THR 73 16.067 -8.735 11.867 521 HB THR 73 HB THR 73 14.826 -8.762 9.730 522 HG1 THR 73 1HG THR 73 16.816 -8.807 8.729 523 1HG2 THR 73 1HG2 THR 73 15.492 -6.490 8.349 524 2HG2 THR 73 2HG2 THR 73 13.916 -6.705 9.149 525 3HG2 THR 73 3HG2 THR 73 15.211 -5.795 9.963 526 H ARG 74 HN ARG 74 15.301 -5.258 11.836 527 HA ARG 74 HA ARG 74 18.099 -4.639 11.873 528 1HB ARG 74 2HB ARG 74 15.601 -2.884 12.075 529 2HB ARG 74 3HB ARG 74 17.232 -2.245 12.058 530 1HG ARG 74 2HG ARG 74 17.445 -2.529 9.802 531 2HG ARG 74 3HG ARG 74 16.777 -4.148 9.853 532 1HD ARG 74 2HD ARG 74 14.830 -3.358 8.994 533 2HD ARG 74 3HD ARG 74 14.602 -2.379 10.429 534 HE ARG 74 HE ARG 74 16.490 -1.085 8.684 535 1HH1 ARG 74 1HH1 ARG 74 14.166 1.025 7.159 536 2HH1 ARG 74 2HH1 ARG 74 15.848 0.727 7.448 537 1HH2 ARG 74 1HH2 ARG 74 12.566 -0.416 8.024 538 2HH2 ARG 74 2HH2 ARG 74 13.053 -1.790 8.960 539 H SER 75 HN SER 75 15.408 -5.163 14.080 540 HA SER 75 HA SER 75 17.116 -4.230 16.252 541 1HB SER 75 2HB SER 75 14.311 -3.621 15.623 542 2HB SER 75 3HB SER 75 14.480 -4.272 17.242 543 HG SER 75 HG SER 75 15.735 -2.564 17.864 544 H MET 76 HN MET 76 16.043 -6.906 14.655 545 HA MET 76 HA MET 76 15.978 -9.026 15.144 546 1HB MET 76 2HB MET 76 17.679 -7.999 17.092 547 2HB MET 76 3HB MET 76 16.463 -8.771 18.090 548 1HG MET 76 2HG MET 76 17.147 -10.547 15.889 549 2HG MET 76 3HG MET 76 18.620 -10.023 16.680 550 1HE MET 76 1HE MET 76 19.251 -12.132 17.304 551 2HE MET 76 2HE MET 76 18.661 -13.067 18.699 552 3HE MET 76 3HE MET 76 17.895 -13.270 17.105 553 H GLY 77 HN GLY 77 14.761 -7.296 18.111 554 1HA GLY 77 1HA GLY 77 12.087 -7.636 17.770 555 2HA GLY 77 2HA GLY 77 12.602 -9.175 18.433 556 H LEU 78 HN LEU 78 14.919 -7.847 19.919 557 HA LEU 78 HA LEU 78 13.276 -6.756 22.090 558 1HB LEU 78 2HB LEU 78 14.204 -8.592 23.028 559 2HB LEU 78 3HB LEU 78 15.601 -8.582 21.971 560 HG LEU 78 HG LEU 78 15.961 -8.133 24.469 561 1HD1 LEU 78 1HD1 LEU 78 17.268 -7.166 22.139 562 2HD1 LEU 78 2HD1 LEU 78 17.349 -5.889 23.376 563 3HD1 LEU 78 3HD1 LEU 78 17.961 -7.521 23.740 564 1HD2 LEU 78 1HD2 LEU 78 15.067 -6.365 25.474 565 2HD2 LEU 78 2HD2 LEU 78 15.616 -5.267 24.185 566 3HD2 LEU 78 3HD2 LEU 78 14.069 -6.131 24.018 567 H ALA 79 HN ALA 79 16.403 -6.411 20.304 568 HA ALA 79 HA ALA 79 17.507 -4.283 21.478 569 1HB ALA 79 1HB ALA 79 17.153 -4.415 18.469 570 2HB ALA 79 2HB ALA 79 18.557 -3.831 19.394 571 3HB ALA 79 3HB ALA 79 18.178 -5.570 19.355 572 H TYR 80 HN TYR 80 14.472 -4.340 19.615 573 HA TYR 80 HA TYR 80 14.237 -1.575 19.222 574 1HB TYR 80 2HB TYR 80 12.140 -2.295 18.389 575 2HB TYR 80 3HB TYR 80 12.945 -3.850 18.447 576 HD1 TYR 80 HD1 TYR 80 12.784 -5.011 20.910 577 HD2 TYR 80 HD2 TYR 80 10.005 -2.195 19.279 578 HE1 TYR 80 HE1 TYR 80 10.976 -5.880 22.471 579 HE2 TYR 80 HE2 TYR 80 8.206 -3.074 20.845 580 HH TYR 80 HH TYR 80 8.314 -5.912 22.300 Start of MODEL 28 1 H SER 1 HN SER 1 -5.942 -7.939 8.629 2 HA SER 1 HA SER 1 -5.405 -6.810 10.413 3 1HB SER 1 2HB SER 1 -5.387 -9.480 11.076 4 2HB SER 1 3HB SER 1 -3.806 -8.997 11.657 5 HG SER 1 HG SER 1 -5.482 -7.061 12.452 6 H HIS 2 HN HIS 2 -3.981 -5.144 9.922 7 HA HIS 2 HA HIS 2 -2.105 -4.022 9.746 8 1HB HIS 2 2HB HIS 2 -1.333 -6.181 11.663 9 2HB HIS 2 3HB HIS 2 -0.056 -5.174 11.009 10 HD1 HIS 2 HD1 HIS 2 -1.160 -5.212 14.047 11 HD2 HIS 2 HD2 HIS 2 -1.964 -2.329 11.108 12 HE1 HIS 2 HE1 HIS 2 -1.802 -3.081 15.294 13 H SER 3 HN SER 3 0.491 -4.425 9.149 14 HA SER 3 HA SER 3 1.954 -5.278 7.749 15 1HB SER 3 2HB SER 3 1.855 -7.468 7.140 16 2HB SER 3 3HB SER 3 0.402 -7.518 8.117 17 HG SER 3 HG SER 3 -0.890 -7.368 6.303 18 H VAL 4 HN VAL 4 2.325 -5.329 5.269 19 HA VAL 4 HA VAL 4 0.132 -4.136 3.779 20 HB VAL 4 HB VAL 4 1.163 -2.194 4.658 21 1HG1 VAL 4 1HG1 VAL 4 3.265 -3.247 5.429 22 2HG1 VAL 4 2HG1 VAL 4 3.847 -3.290 3.747 23 3HG1 VAL 4 3HG1 VAL 4 3.555 -1.728 4.548 24 1HG2 VAL 4 1HG2 VAL 4 0.742 -1.511 2.542 25 2HG2 VAL 4 2HG2 VAL 4 2.517 -1.460 2.421 26 3HG2 VAL 4 3HG2 VAL 4 1.623 -2.873 1.809 27 H LYS 5 HN LYS 5 3.570 -5.267 3.840 28 HA LYS 5 HA LYS 5 4.809 -6.168 2.206 29 1HB LYS 5 2HB LYS 5 2.998 -7.918 3.228 30 2HB LYS 5 3HB LYS 5 2.635 -8.065 1.521 31 1HG LYS 5 2HG LYS 5 4.347 -9.662 1.828 32 2HG LYS 5 3HG LYS 5 5.217 -8.286 1.179 33 1HD LYS 5 2HD LYS 5 6.169 -7.721 3.267 34 2HD LYS 5 3HD LYS 5 4.911 -8.531 4.179 35 1HE LYS 5 2HE LYS 5 6.903 -9.902 4.341 36 2HE LYS 5 3HE LYS 5 5.778 -10.751 3.299 37 1HZ LYS 5 1HZ LYS 5 7.132 -9.234 1.568 38 2HZ LYS 5 2HZ LYS 5 8.298 -9.585 2.656 39 3HZ LYS 5 3HZ LYS 5 7.488 -10.791 1.909 40 H ILE 6 HN ILE 6 3.994 -7.554 -0.214 41 HA ILE 6 HA ILE 6 3.113 -5.215 -1.758 42 HB ILE 6 HB ILE 6 5.072 -7.415 -2.384 43 1HG1 ILE 6 2HG1 ILE 6 6.323 -5.139 -3.033 44 2HG1 ILE 6 3HG1 ILE 6 5.224 -4.483 -1.836 45 1HG2 ILE 6 1HG2 ILE 6 5.190 -6.717 -4.644 46 2HG2 ILE 6 2HG2 ILE 6 3.466 -6.979 -4.288 47 3HG2 ILE 6 3HG2 ILE 6 4.120 -5.325 -4.351 48 1HD1 ILE 6 1HD1 ILE 6 6.482 -5.332 -0.158 49 2HD1 ILE 6 2HD1 ILE 6 6.319 -6.972 -0.829 50 3HD1 ILE 6 3HD1 ILE 6 7.644 -5.917 -1.372 51 H TYR 7 HN TYR 7 0.938 -5.474 -2.046 52 HA TYR 7 HA TYR 7 0.134 -7.926 -3.411 53 1HB TYR 7 2HB TYR 7 -1.244 -6.574 -1.007 54 2HB TYR 7 3HB TYR 7 -1.858 -7.989 -1.839 55 HD1 TYR 7 HD1 TYR 7 -0.837 -7.340 1.175 56 HD2 TYR 7 HD2 TYR 7 0.652 -9.590 -2.146 57 HE1 TYR 7 HE1 TYR 7 0.456 -8.844 2.765 58 HE2 TYR 7 HE2 TYR 7 1.941 -11.087 -0.544 59 HH TYR 7 HH TYR 7 1.368 -11.597 2.297 60 H ASP 8 HN ASP 8 -1.735 -7.673 -4.759 61 HA ASP 8 HA ASP 8 -2.072 -4.941 -5.554 62 1HB ASP 8 2HB ASP 8 -3.584 -6.091 -7.332 63 2HB ASP 8 3HB ASP 8 -1.860 -6.400 -7.402 64 H THR 9 HN THR 9 -3.124 -5.314 -2.981 65 HA THR 9 HA THR 9 -5.989 -5.803 -3.319 66 HB THR 9 HB THR 9 -4.913 -7.000 -1.482 67 HG1 THR 9 1HG THR 9 -6.056 -5.723 0.297 68 1HG2 THR 9 1HG2 THR 9 -3.965 -4.232 -0.569 69 2HG2 THR 9 2HG2 THR 9 -3.817 -5.731 0.379 70 3HG2 THR 9 3HG2 THR 9 -2.910 -5.546 -1.141 71 H CYS 10 HN CYS 10 -6.640 -3.969 -4.486 72 HA CYS 10 HA CYS 10 -6.962 -1.676 -2.782 73 1HB CYS 10 2HB CYS 10 -4.743 -1.321 -3.955 74 2HB CYS 10 3HB CYS 10 -5.620 -1.275 -5.471 75 H ILE 11 HN ILE 11 -8.848 -0.486 -3.406 76 HA ILE 11 HA ILE 11 -10.276 -1.649 -5.697 77 HB ILE 11 HB ILE 11 -12.346 -1.189 -4.473 78 1HG1 ILE 11 2HG1 ILE 11 -11.614 -0.948 -1.815 79 2HG1 ILE 11 3HG1 ILE 11 -10.502 0.141 -2.619 80 1HG2 ILE 11 1HG2 ILE 11 -11.711 -3.411 -4.305 81 2HG2 ILE 11 2HG2 ILE 11 -10.276 -3.039 -3.319 82 3HG2 ILE 11 3HG2 ILE 11 -11.901 -2.933 -2.601 83 1HD1 ILE 11 1HD1 ILE 11 -12.554 1.076 -3.888 84 2HD1 ILE 11 2HD1 ILE 11 -13.541 0.177 -2.712 85 3HD1 ILE 11 3HD1 ILE 11 -12.441 1.460 -2.154 86 H GLY 12 HN GLY 12 -9.403 1.263 -3.804 87 1HA GLY 12 1HA GLY 12 -8.864 3.149 -5.355 88 2HA GLY 12 2HA GLY 12 -10.473 2.917 -6.010 89 H CYS 13 HN CYS 13 -9.278 2.792 -2.583 90 HA CYS 13 HA CYS 13 -11.345 4.757 -1.956 91 1HB CYS 13 2HB CYS 13 -11.663 3.734 0.043 92 2HB CYS 13 3HB CYS 13 -10.999 2.353 -0.808 93 H THR 14 HN THR 14 -10.391 5.881 0.371 94 HA THR 14 HA THR 14 -7.790 7.011 -0.432 95 HB THR 14 HB THR 14 -8.679 9.147 0.562 96 HG1 THR 14 1HG THR 14 -10.911 9.051 1.250 97 1HG2 THR 14 1HG2 THR 14 -10.055 7.756 -1.724 98 2HG2 THR 14 2HG2 THR 14 -10.881 9.179 -1.044 99 3HG2 THR 14 3HG2 THR 14 -9.231 9.335 -1.695 100 H GLN 15 HN GLN 15 -7.064 5.027 0.854 101 HA GLN 15 HA GLN 15 -6.454 6.009 3.459 102 1HB GLN 15 2HB GLN 15 -8.188 4.924 4.465 103 2HB GLN 15 3HB GLN 15 -8.503 3.919 3.064 104 1HG GLN 15 2HG GLN 15 -6.469 2.525 3.675 105 2HG GLN 15 3HG GLN 15 -6.305 3.477 5.138 106 1HE2 GLN 15 1HE2 GLN 15 -6.567 0.880 5.471 107 2HE2 GLN 15 2HE2 GLN 15 -8.132 0.425 6.061 108 H CYS 16 HN CYS 16 -4.442 5.238 4.154 109 HA CYS 16 HA CYS 16 -2.691 3.831 4.251 110 1HB CYS 16 2HB CYS 16 -2.652 1.766 3.319 111 2HB CYS 16 3HB CYS 16 -4.353 2.086 3.051 112 H VAL 17 HN VAL 17 -3.909 5.078 1.100 113 HA VAL 17 HA VAL 17 -1.211 5.578 0.180 114 HB VAL 17 HB VAL 17 -3.835 6.348 -1.098 115 1HG1 VAL 17 1HG1 VAL 17 -1.113 6.774 -1.805 116 2HG1 VAL 17 2HG1 VAL 17 -1.774 5.568 -2.934 117 3HG1 VAL 17 3HG1 VAL 17 -2.573 7.148 -2.751 118 1HG2 VAL 17 1HG2 VAL 17 -3.335 4.154 -2.444 119 2HG2 VAL 17 2HG2 VAL 17 -2.432 3.691 -0.981 120 3HG2 VAL 17 3HG2 VAL 17 -4.168 4.065 -0.874 121 H ARG 18 HN ARG 18 -2.735 6.912 2.611 122 HA ARG 18 HA ARG 18 -2.060 9.607 1.745 123 1HB ARG 18 2HB ARG 18 -4.544 8.573 2.917 124 2HB ARG 18 3HB ARG 18 -3.864 9.825 3.937 125 1HG ARG 18 2HG ARG 18 -5.197 11.051 2.419 126 2HG ARG 18 3HG ARG 18 -3.589 11.214 1.742 127 1HD ARG 18 2HD ARG 18 -4.517 8.836 0.579 128 2HD ARG 18 3HD ARG 18 -5.958 9.832 0.633 129 HE ARG 18 HE ARG 18 -3.554 11.207 -0.377 130 1HH1 ARG 18 1HH1 ARG 18 -4.857 11.387 -3.610 131 2HH1 ARG 18 2HH1 ARG 18 -3.609 11.937 -2.542 132 1HH2 ARG 18 1HH2 ARG 18 -6.474 9.911 -2.840 133 2HH2 ARG 18 2HH2 ARG 18 -6.433 9.358 -1.200 134 H ALA 19 HN ALA 19 -2.299 7.206 4.426 135 HA ALA 19 HA ALA 19 -0.698 8.894 6.155 136 1HB ALA 19 1HB ALA 19 -2.233 7.846 7.488 137 2HB ALA 19 2HB ALA 19 -2.390 6.451 6.393 138 3HB ALA 19 3HB ALA 19 -1.002 6.560 7.502 139 H CYS 20 HN CYS 20 1.298 9.008 4.993 140 HA CYS 20 HA CYS 20 3.110 7.018 5.648 141 1HB CYS 20 2HB CYS 20 1.975 5.670 3.918 142 2HB CYS 20 3HB CYS 20 2.286 6.916 2.726 143 HA PRO 21 HA PRO 21 4.707 11.078 4.528 144 1HB PRO 21 2HB PRO 21 6.264 11.440 6.744 145 2HB PRO 21 3HB PRO 21 4.606 11.997 6.637 146 1HG PRO 21 2HG PRO 21 5.689 9.675 8.112 147 2HG PRO 21 3HG PRO 21 4.152 10.491 8.324 148 1HD PRO 21 2HD PRO 21 4.595 7.977 7.015 149 2HD PRO 21 3HD PRO 21 3.079 8.848 7.125 150 H LEU 22 HN LEU 22 6.464 8.330 5.796 151 HA LEU 22 HA LEU 22 8.953 9.108 4.793 152 1HB LEU 22 2HB LEU 22 7.798 6.914 6.181 153 2HB LEU 22 3HB LEU 22 8.680 6.264 4.814 154 HG LEU 22 HG LEU 22 10.053 6.346 6.837 155 1HD1 LEU 22 1HD1 LEU 22 11.673 8.278 5.559 156 2HD1 LEU 22 2HD1 LEU 22 11.742 6.505 5.410 157 3HD1 LEU 22 3HD1 LEU 22 10.746 7.456 4.281 158 1HD2 LEU 22 1HD2 LEU 22 10.030 8.049 8.257 159 2HD2 LEU 22 2HD2 LEU 22 10.592 9.165 6.989 160 3HD2 LEU 22 3HD2 LEU 22 8.851 8.874 7.209 161 H ASP 23 HN ASP 23 7.226 6.223 3.501 162 HA ASP 23 HA ASP 23 6.491 6.956 1.098 163 1HB ASP 23 2HB ASP 23 9.425 7.174 1.269 164 2HB ASP 23 3HB ASP 23 8.935 6.082 -0.011 165 H VAL 24 HN VAL 24 5.273 5.017 1.225 166 HA VAL 24 HA VAL 24 6.789 2.563 0.813 167 HB VAL 24 HB VAL 24 4.870 3.119 3.066 168 1HG1 VAL 24 1HG1 VAL 24 5.647 0.400 1.957 169 2HG1 VAL 24 2HG1 VAL 24 4.805 0.680 3.500 170 3HG1 VAL 24 3HG1 VAL 24 4.020 1.122 1.964 171 1HG2 VAL 24 1HG2 VAL 24 6.828 1.603 4.120 172 2HG2 VAL 24 2HG2 VAL 24 7.733 2.349 2.781 173 3HG2 VAL 24 3HG2 VAL 24 6.933 3.376 3.995 174 H LEU 25 HN LEU 25 3.322 3.240 1.592 175 HA LEU 25 HA LEU 25 2.441 1.707 -0.594 176 1HB LEU 25 2HB LEU 25 0.821 3.774 0.874 177 2HB LEU 25 3HB LEU 25 0.264 2.315 0.079 178 HG LEU 25 HG LEU 25 2.055 1.392 2.019 179 1HD1 LEU 25 1HD1 LEU 25 0.520 2.645 3.958 180 2HD1 LEU 25 2HD1 LEU 25 2.229 2.973 3.579 181 3HD1 LEU 25 3HD1 LEU 25 0.947 3.961 2.838 182 1HD2 LEU 25 1HD2 LEU 25 -0.123 0.421 1.228 183 2HD2 LEU 25 2HD2 LEU 25 0.146 0.346 2.986 184 3HD2 LEU 25 3HD2 LEU 25 -0.951 1.571 2.306 185 H GLU 26 HN GLU 26 3.840 2.684 -2.296 186 HA GLU 26 HA GLU 26 2.823 5.265 -3.159 187 1HB GLU 26 2HB GLU 26 5.333 3.711 -3.917 188 2HB GLU 26 3HB GLU 26 4.849 5.196 -4.711 189 1HG GLU 26 2HG GLU 26 4.751 5.547 -1.814 190 2HG GLU 26 3HG GLU 26 6.323 4.932 -2.285 191 H MET 27 HN MET 27 3.260 5.241 -5.877 192 HA MET 27 HA MET 27 1.151 3.516 -6.710 193 1HB MET 27 2HB MET 27 1.504 4.731 -8.911 194 2HB MET 27 3HB MET 27 1.285 5.829 -7.563 195 1HG MET 27 2HG MET 27 3.265 6.803 -8.097 196 2HG MET 27 3HG MET 27 4.078 5.321 -7.636 197 1HE MET 27 1HE MET 27 3.157 7.712 -10.404 198 2HE MET 27 2HE MET 27 4.863 7.549 -9.922 199 3HE MET 27 3HE MET 27 4.360 7.121 -11.576 200 H VAL 28 HN VAL 28 1.341 1.544 -7.701 201 HA VAL 28 HA VAL 28 3.971 0.892 -8.833 202 HB VAL 28 HB VAL 28 3.935 -1.230 -7.871 203 1HG1 VAL 28 1HG1 VAL 28 3.903 -0.841 -5.512 204 2HG1 VAL 28 2HG1 VAL 28 4.408 0.679 -6.288 205 3HG1 VAL 28 3HG1 VAL 28 2.744 0.498 -5.684 206 1HG2 VAL 28 1HG2 VAL 28 2.051 -2.410 -7.725 207 2HG2 VAL 28 2HG2 VAL 28 1.543 -1.408 -6.344 208 3HG2 VAL 28 3HG2 VAL 28 1.083 -0.941 -7.999 209 HA PRO 29 HA PRO 29 1.762 -0.468 -12.289 210 1HB PRO 29 2HB PRO 29 3.146 -2.654 -13.169 211 2HB PRO 29 3HB PRO 29 3.674 -1.007 -13.452 212 1HG PRO 29 2HG PRO 29 4.735 -2.990 -11.533 213 2HG PRO 29 3HG PRO 29 5.492 -1.526 -12.130 214 1HD PRO 29 2HD PRO 29 4.273 -1.904 -9.561 215 2HD PRO 29 3HD PRO 29 4.925 -0.409 -10.202 216 H TRP 30 HN TRP 30 -0.300 -1.081 -12.237 217 HA TRP 30 HA TRP 30 -0.704 -3.873 -11.454 218 1HB TRP 30 2HB TRP 30 -1.183 -2.581 -9.472 219 2HB TRP 30 3HB TRP 30 -2.223 -1.496 -10.374 220 HD1 TRP 30 HD1 TRP 30 -4.736 -2.065 -10.005 221 HE1 TRP 30 HE1 TRP 30 -6.244 -4.169 -9.494 222 HE3 TRP 30 HE3 TRP 30 -0.935 -5.441 -10.002 223 HZ2 TRP 30 HZ2 TRP 30 -5.690 -6.949 -9.155 224 HZ3 TRP 30 HZ3 TRP 30 -1.504 -7.831 -9.573 225 HH2 TRP 30 HH2 TRP 30 -3.786 -8.602 -9.159 226 H ASP 31 HN ASP 31 -3.151 -4.428 -12.085 227 HA ASP 31 HA ASP 31 -3.812 -2.957 -14.502 228 1HB ASP 31 2HB ASP 31 -2.545 -5.324 -14.714 229 2HB ASP 31 3HB ASP 31 -4.156 -5.956 -14.437 230 H GLY 32 HN GLY 32 -5.254 -2.243 -12.431 231 1HA GLY 32 1HA GLY 32 -7.807 -3.594 -12.739 232 2HA GLY 32 2HA GLY 32 -7.100 -3.679 -11.137 233 H CYS 33 HN CYS 33 -5.713 -1.044 -11.327 234 HA CYS 33 HA CYS 33 -7.888 0.535 -10.439 235 1HB CYS 33 2HB CYS 33 -5.078 0.554 -10.137 236 2HB CYS 33 3HB CYS 33 -5.482 2.073 -10.913 237 HG CYS 33 HG CYS 33 -6.899 3.088 -9.198 238 H LYS 34 HN LYS 34 -8.242 2.829 -11.376 239 HA LYS 34 HA LYS 34 -8.959 2.603 -14.065 240 1HB LYS 34 2HB LYS 34 -9.371 4.401 -11.914 241 2HB LYS 34 3HB LYS 34 -8.713 5.353 -13.230 242 1HG LYS 34 2HG LYS 34 -10.963 3.361 -13.707 243 2HG LYS 34 3HG LYS 34 -11.298 4.989 -13.150 244 1HD LYS 34 2HD LYS 34 -9.590 4.456 -15.616 245 2HD LYS 34 3HD LYS 34 -11.335 4.580 -15.712 246 1HE LYS 34 2HE LYS 34 -10.229 6.803 -14.152 247 2HE LYS 34 3HE LYS 34 -9.469 6.719 -15.729 248 1HZ LYS 34 1HZ LYS 34 -12.045 6.320 -16.309 249 2HZ LYS 34 2HZ LYS 34 -12.164 7.366 -15.061 250 3HZ LYS 34 3HZ LYS 34 -11.294 7.768 -16.383 251 H ALA 35 HN ALA 35 -5.935 3.379 -12.494 252 HA ALA 35 HA ALA 35 -4.885 4.283 -15.089 253 1HB ALA 35 1HB ALA 35 -3.051 5.018 -13.119 254 2HB ALA 35 2HB ALA 35 -4.231 6.091 -13.909 255 3HB ALA 35 3HB ALA 35 -4.631 5.319 -12.357 256 H GLY 36 HN GLY 36 -5.368 1.500 -13.829 257 1HA GLY 36 1HA GLY 36 -4.257 -0.443 -13.535 258 2HA GLY 36 2HA GLY 36 -3.286 0.117 -14.882 259 H GLN 37 HN GLN 37 -3.599 1.139 -11.400 260 HA GLN 37 HA GLN 37 -0.901 0.293 -10.952 261 1HB GLN 37 2HB GLN 37 -0.216 2.577 -10.083 262 2HB GLN 37 3HB GLN 37 -0.398 2.481 -11.823 263 1HG GLN 37 2HG GLN 37 -1.836 4.229 -11.698 264 2HG GLN 37 3HG GLN 37 -2.979 3.161 -10.908 265 1HE2 GLN 37 1HE2 GLN 37 -3.567 3.551 -8.898 266 2HE2 GLN 37 2HE2 GLN 37 -2.829 4.672 -7.803 267 H ILE 38 HN ILE 38 -0.873 -0.647 -8.955 268 HA ILE 38 HA ILE 38 -3.043 0.070 -7.135 269 HB ILE 38 HB ILE 38 -2.499 -2.318 -7.983 270 1HG1 ILE 38 2HG1 ILE 38 -2.792 -2.753 -5.179 271 2HG1 ILE 38 3HG1 ILE 38 -3.622 -1.258 -5.567 272 1HG2 ILE 38 1HG2 ILE 38 -0.192 -2.520 -7.584 273 2HG2 ILE 38 2HG2 ILE 38 -0.330 -1.879 -5.929 274 3HG2 ILE 38 3HG2 ILE 38 -0.968 -3.496 -6.314 275 1HD1 ILE 38 1HD1 ILE 38 -4.991 -3.425 -5.813 276 2HD1 ILE 38 2HD1 ILE 38 -5.015 -2.320 -7.208 277 3HD1 ILE 38 3HD1 ILE 38 -3.989 -3.775 -7.241 278 H ALA 39 HN ALA 39 -2.686 0.976 -5.131 279 HA ALA 39 HA ALA 39 -0.151 2.218 -4.755 280 1HB ALA 39 1HB ALA 39 -2.852 2.220 -3.494 281 2HB ALA 39 2HB ALA 39 -1.489 2.665 -2.441 282 3HB ALA 39 3HB ALA 39 -1.794 3.581 -3.936 283 H SER 40 HN SER 40 1.589 0.991 -4.182 284 HA SER 40 HA SER 40 1.410 -0.403 -1.710 285 1HB SER 40 2HB SER 40 1.633 -1.876 -4.331 286 2HB SER 40 3HB SER 40 2.544 -2.484 -2.963 287 HG SER 40 HG SER 40 -0.127 -1.835 -2.363 288 H SER 41 HN SER 41 3.793 -1.699 -1.559 289 HA SER 41 HA SER 41 5.619 0.455 -1.770 290 1HB SER 41 2HB SER 41 7.234 -1.449 -0.922 291 2HB SER 41 3HB SER 41 5.997 -0.818 0.147 292 HG SER 41 HG SER 41 4.742 -2.645 -0.141 293 HA PRO 42 HA PRO 42 7.004 -0.806 -5.749 294 1HB PRO 42 2HB PRO 42 8.707 1.281 -6.209 295 2HB PRO 42 3HB PRO 42 6.988 1.355 -6.544 296 1HG PRO 42 2HG PRO 42 8.496 2.587 -4.321 297 2HG PRO 42 3HG PRO 42 6.894 2.982 -4.914 298 1HD PRO 42 2HD PRO 42 7.530 1.492 -2.546 299 2HD PRO 42 3HD PRO 42 5.932 1.788 -3.201 300 H ARG 43 HN ARG 43 9.469 0.488 -3.566 301 HA ARG 43 HA ARG 43 10.853 -2.007 -3.908 302 1HB ARG 43 2HB ARG 43 12.125 0.705 -4.539 303 2HB ARG 43 3HB ARG 43 13.038 -0.781 -4.359 304 1HG ARG 43 2HG ARG 43 11.705 -1.808 -6.226 305 2HG ARG 43 3HG ARG 43 10.832 -0.300 -6.420 306 1HD ARG 43 2HD ARG 43 13.083 0.854 -6.820 307 2HD ARG 43 3HD ARG 43 13.829 -0.732 -6.826 308 HE ARG 43 HE ARG 43 11.825 -1.066 -8.664 309 1HH1 ARG 43 1HH1 ARG 43 13.016 0.632 -11.470 310 2HH1 ARG 43 2HH1 ARG 43 11.934 -0.594 -10.897 311 1HH2 ARG 43 1HH2 ARG 43 14.352 1.795 -9.970 312 2HH2 ARG 43 2HH2 ARG 43 14.269 1.436 -8.278 313 H THR 44 HN THR 44 9.420 -0.063 -1.861 314 HA THR 44 HA THR 44 9.787 0.812 0.187 315 HB THR 44 HB THR 44 11.103 -1.951 0.308 316 HG1 THR 44 1HG THR 44 8.912 -2.511 0.713 317 1HG2 THR 44 1HG2 THR 44 9.769 -1.443 2.715 318 2HG2 THR 44 2HG2 THR 44 11.536 -1.415 2.501 319 3HG2 THR 44 3HG2 THR 44 10.601 0.097 2.393 320 H GLU 45 HN GLU 45 11.875 1.516 -1.855 321 HA GLU 45 HA GLU 45 14.386 1.389 -0.812 322 1HB GLU 45 2HB GLU 45 14.840 3.438 -2.185 323 2HB GLU 45 3HB GLU 45 13.970 2.198 -3.066 324 1HG GLU 45 2HG GLU 45 11.888 3.376 -2.910 325 2HG GLU 45 3HG GLU 45 12.467 4.407 -1.617 326 H ASP 46 HN ASP 46 11.653 3.517 0.053 327 HA ASP 46 HA ASP 46 13.393 4.999 1.825 328 1HB ASP 46 2HB ASP 46 11.114 5.656 0.288 329 2HB ASP 46 3HB ASP 46 10.524 5.644 1.938 330 H CYS 47 HN CYS 47 11.212 5.649 3.732 331 HA CYS 47 HA CYS 47 10.129 4.878 5.490 332 1HB CYS 47 2HB CYS 47 9.001 3.250 4.018 333 2HB CYS 47 3HB CYS 47 10.318 2.116 4.242 334 H VAL 48 HN VAL 48 10.995 4.579 7.552 335 HA VAL 48 HA VAL 48 13.367 2.884 7.767 336 HB VAL 48 HB VAL 48 14.409 4.656 9.186 337 1HG1 VAL 48 1HG1 VAL 48 15.011 6.145 7.167 338 2HG1 VAL 48 2HG1 VAL 48 15.359 4.403 7.053 339 3HG1 VAL 48 3HG1 VAL 48 13.932 5.081 6.234 340 1HG2 VAL 48 1HG2 VAL 48 12.440 5.984 9.715 341 2HG2 VAL 48 2HG2 VAL 48 13.642 6.994 8.877 342 3HG2 VAL 48 3HG2 VAL 48 12.217 6.391 7.996 343 H GLY 49 HN GLY 49 10.519 2.482 8.425 344 1HA GLY 49 1HA GLY 49 9.522 1.367 10.145 345 2HA GLY 49 2HA GLY 49 10.884 1.726 11.187 346 H CYS 50 HN CYS 50 8.141 3.400 9.489 347 HA CYS 50 HA CYS 50 7.978 5.153 11.832 348 1HB CYS 50 2HB CYS 50 7.856 6.922 10.479 349 2HB CYS 50 3HB CYS 50 8.264 5.868 9.140 350 H LYS 51 HN LYS 51 5.821 5.547 12.685 351 HA LYS 51 HA LYS 51 3.948 3.429 11.928 352 1HB LYS 51 2HB LYS 51 4.733 4.712 14.460 353 2HB LYS 51 3HB LYS 51 3.000 4.537 14.264 354 1HG LYS 51 2HG LYS 51 3.740 2.072 13.414 355 2HG LYS 51 3HG LYS 51 5.120 2.408 14.440 356 1HD LYS 51 2HD LYS 51 2.707 3.207 15.840 357 2HD LYS 51 3HD LYS 51 2.492 1.575 15.238 358 1HE LYS 51 2HE LYS 51 5.069 1.422 16.215 359 2HE LYS 51 3HE LYS 51 4.377 2.598 17.314 360 1HZ LYS 51 1HZ LYS 51 3.602 -0.167 16.891 361 2HZ LYS 51 2HZ LYS 51 3.796 0.651 18.291 362 3HZ LYS 51 3HZ LYS 51 2.458 0.889 17.385 363 H ARG 52 HN ARG 52 2.828 4.245 10.172 364 HA ARG 52 HA ARG 52 1.159 6.499 10.828 365 1HB ARG 52 2HB ARG 52 3.287 6.491 8.745 366 2HB ARG 52 3HB ARG 52 1.726 7.022 8.151 367 1HG ARG 52 2HG ARG 52 2.993 8.146 10.689 368 2HG ARG 52 3HG ARG 52 3.248 8.857 9.108 369 1HD ARG 52 2HD ARG 52 0.876 9.346 8.848 370 2HD ARG 52 3HD ARG 52 0.459 8.384 10.252 371 HE ARG 52 HE ARG 52 1.163 10.139 11.666 372 1HH1 ARG 52 1HH1 ARG 52 2.365 13.301 10.809 373 2HH1 ARG 52 2HH1 ARG 52 1.759 12.304 12.089 374 1HH2 ARG 52 1HH2 ARG 52 2.572 12.438 8.664 375 2HH2 ARG 52 2HH2 ARG 52 2.122 10.797 8.345 376 H CYS 53 HN CYS 53 2.085 4.319 8.051 377 HA CYS 53 HA CYS 53 -0.234 4.168 6.744 378 1HB CYS 53 2HB CYS 53 0.402 1.712 6.281 379 2HB CYS 53 3HB CYS 53 1.535 2.964 5.814 380 H GLU 54 HN GLU 54 0.506 1.277 8.750 381 HA GLU 54 HA GLU 54 -0.919 -0.079 9.750 382 1HB GLU 54 2HB GLU 54 -0.269 2.118 11.327 383 2HB GLU 54 3HB GLU 54 -2.009 2.031 11.519 384 1HG GLU 54 2HG GLU 54 -1.788 0.272 12.928 385 2HG GLU 54 3HG GLU 54 -1.006 -0.661 11.667 386 H THR 55 HN THR 55 -2.113 0.940 7.358 387 HA THR 55 HA THR 55 -4.840 0.388 7.921 388 HB THR 55 HB THR 55 -4.688 2.792 8.679 389 HG1 THR 55 1HG THR 55 -6.699 2.771 7.761 390 1HG2 THR 55 1HG2 THR 55 -3.495 4.279 7.418 391 2HG2 THR 55 2HG2 THR 55 -3.230 3.049 6.160 392 3HG2 THR 55 3HG2 THR 55 -4.693 4.062 6.120 393 H ALA 56 HN ALA 56 -2.994 -0.967 6.402 394 HA ALA 56 HA ALA 56 -3.303 -0.085 3.664 395 1HB ALA 56 1HB ALA 56 -1.165 -0.980 4.235 396 2HB ALA 56 2HB ALA 56 -1.889 -2.393 5.041 397 3HB ALA 56 3HB ALA 56 -1.976 -2.238 3.271 398 H CYS 57 HN CYS 57 -5.795 -0.205 4.148 399 HA CYS 57 HA CYS 57 -7.666 -1.139 3.441 400 1HB CYS 57 2HB CYS 57 -5.739 -2.758 2.085 401 2HB CYS 57 3HB CYS 57 -6.980 -3.826 2.709 402 HA PRO 58 HA PRO 58 -8.872 -3.640 6.808 403 1HB PRO 58 2HB PRO 58 -10.896 -5.231 5.891 404 2HB PRO 58 3HB PRO 58 -11.115 -3.539 6.292 405 1HG PRO 58 2HG PRO 58 -10.946 -4.804 3.626 406 2HG PRO 58 3HG PRO 58 -11.576 -3.226 4.054 407 1HD PRO 58 2HD PRO 58 -9.040 -3.790 2.837 408 2HD PRO 58 3HD PRO 58 -9.623 -2.226 3.372 409 H THR 59 HN THR 59 -9.856 -6.225 7.178 410 HA THR 59 HA THR 59 -7.333 -7.623 6.899 411 HB THR 59 HB THR 59 -9.988 -8.384 8.227 412 HG1 THR 59 1HG THR 59 -8.714 -6.398 8.932 413 1HG2 THR 59 1HG2 THR 59 -8.947 -10.284 8.965 414 2HG2 THR 59 2HG2 THR 59 -7.702 -9.978 7.732 415 3HG2 THR 59 3HG2 THR 59 -7.477 -9.376 9.392 416 H ASP 60 HN ASP 60 -10.054 -7.141 4.957 417 HA ASP 60 HA ASP 60 -10.761 -9.555 4.042 418 1HB ASP 60 2HB ASP 60 -10.722 -6.824 3.041 419 2HB ASP 60 3HB ASP 60 -10.359 -7.918 1.721 420 H PHE 61 HN PHE 61 -7.673 -7.862 3.699 421 HA PHE 61 HA PHE 61 -6.703 -10.076 2.036 422 1HB PHE 61 2HB PHE 61 -6.761 -7.153 1.646 423 2HB PHE 61 3HB PHE 61 -5.101 -7.710 1.684 424 HD1 PHE 61 1HD PHE 61 -8.188 -7.642 -0.208 425 HD2 PHE 61 2HD PHE 61 -4.316 -9.366 0.007 426 HE1 PHE 61 1HE PHE 61 -8.376 -8.364 -2.604 427 HE2 PHE 61 2HE PHE 61 -4.504 -10.089 -2.389 428 HZ PHE 61 HZ PHE 61 -6.532 -9.579 -3.666 429 H LEU 62 HN LEU 62 -5.861 -7.423 4.356 430 HA LEU 62 HA LEU 62 -3.284 -8.266 4.907 431 1HB LEU 62 2HB LEU 62 -5.262 -6.886 6.728 432 2HB LEU 62 3HB LEU 62 -3.529 -6.969 6.974 433 HG LEU 62 HG LEU 62 -5.025 -5.488 4.805 434 1HD1 LEU 62 1HD1 LEU 62 -2.946 -4.166 6.440 435 2HD1 LEU 62 2HD1 LEU 62 -4.545 -3.589 5.914 436 3HD1 LEU 62 3HD1 LEU 62 -4.409 -4.679 7.314 437 1HD2 LEU 62 1HD2 LEU 62 -2.893 -4.851 3.829 438 2HD2 LEU 62 2HD2 LEU 62 -2.025 -5.865 5.006 439 3HD2 LEU 62 3HD2 LEU 62 -3.089 -6.620 3.795 440 H SER 63 HN SER 63 -2.593 -10.213 5.594 441 HA SER 63 HA SER 63 -3.235 -11.295 7.967 442 1HB SER 63 2HB SER 63 -4.657 -13.322 7.186 443 2HB SER 63 3HB SER 63 -5.481 -11.799 7.449 444 HG SER 63 HG SER 63 -4.623 -12.886 4.906 445 H ILE 64 HN ILE 64 -2.595 -11.938 4.493 446 HA ILE 64 HA ILE 64 -1.356 -14.353 4.606 447 HB ILE 64 HB ILE 64 -0.676 -11.922 2.951 448 1HG1 ILE 64 2HG1 ILE 64 -3.004 -12.708 2.757 449 2HG1 ILE 64 3HG1 ILE 64 -2.101 -12.905 1.268 450 1HG2 ILE 64 1HG2 ILE 64 0.400 -13.463 1.386 451 2HG2 ILE 64 2HG2 ILE 64 1.213 -13.470 2.969 452 3HG2 ILE 64 3HG2 ILE 64 0.132 -14.811 2.518 453 1HD1 ILE 64 1HD1 ILE 64 -1.779 -15.291 2.893 454 2HD1 ILE 64 2HD1 ILE 64 -3.509 -14.911 2.718 455 3HD1 ILE 64 3HD1 ILE 64 -2.495 -15.133 1.272 456 H ARG 65 HN ARG 65 0.731 -11.429 4.312 457 HA ARG 65 HA ARG 65 2.489 -12.736 6.215 458 1HB ARG 65 2HB ARG 65 2.990 -10.702 3.996 459 2HB ARG 65 3HB ARG 65 4.206 -11.053 5.208 460 1HG ARG 65 2HG ARG 65 2.976 -13.450 3.912 461 2HG ARG 65 3HG ARG 65 3.938 -12.441 2.851 462 1HD ARG 65 2HD ARG 65 5.856 -13.266 3.741 463 2HD ARG 65 3HD ARG 65 5.378 -12.736 5.342 464 HE ARG 65 HE ARG 65 3.866 -15.020 4.985 465 1HH1 ARG 65 1HH1 ARG 65 6.199 -17.541 5.595 466 2HH1 ARG 65 2HH1 ARG 65 4.516 -17.138 5.544 467 1HH2 ARG 65 1HH2 ARG 65 7.795 -15.931 5.097 468 2HH2 ARG 65 2HH2 ARG 65 7.301 -14.325 4.676 469 H VAL 66 HN VAL 66 2.461 -11.881 8.270 470 HA VAL 66 HA VAL 66 1.421 -9.195 8.620 471 HB VAL 66 HB VAL 66 2.149 -11.406 10.549 472 1HG1 VAL 66 1HG1 VAL 66 1.628 -10.084 12.336 473 2HG1 VAL 66 2HG1 VAL 66 2.237 -8.818 11.243 474 3HG1 VAL 66 3HG1 VAL 66 0.485 -9.083 11.407 475 1HG2 VAL 66 1HG2 VAL 66 -0.246 -10.766 9.004 476 2HG2 VAL 66 2HG2 VAL 66 0.169 -12.238 9.915 477 3HG2 VAL 66 3HG2 VAL 66 -0.569 -10.851 10.752 478 H TYR 67 HN TYR 67 2.647 -7.425 9.125 479 HA TYR 67 HA TYR 67 5.477 -7.941 9.741 480 1HB TYR 67 2HB TYR 67 4.045 -6.448 7.594 481 2HB TYR 67 3HB TYR 67 5.175 -5.416 8.447 482 HD1 TYR 67 HD1 TYR 67 6.875 -5.078 6.854 483 HD2 TYR 67 HD2 TYR 67 5.547 -9.057 7.695 484 HE1 TYR 67 HE1 TYR 67 8.781 -6.016 5.458 485 HE2 TYR 67 HE2 TYR 67 7.458 -9.982 6.296 486 HH TYR 67 HH TYR 67 9.381 -9.484 5.328 487 H LEU 68 HN LEU 68 3.309 -5.038 9.486 488 HA LEU 68 HA LEU 68 4.391 -3.543 11.424 489 1HB LEU 68 2HB LEU 68 1.472 -3.903 10.745 490 2HB LEU 68 3HB LEU 68 2.081 -2.622 11.774 491 HG LEU 68 HG LEU 68 3.141 -2.991 8.975 492 1HD1 LEU 68 1HD1 LEU 68 1.353 -0.978 8.661 493 2HD1 LEU 68 2HD1 LEU 68 1.041 -2.677 8.231 494 3HD1 LEU 68 3HD1 LEU 68 0.467 -2.032 9.788 495 1HD2 LEU 68 1HD2 LEU 68 3.307 -0.930 11.105 496 2HD2 LEU 68 2HD2 LEU 68 4.501 -1.429 9.883 497 3HD2 LEU 68 3HD2 LEU 68 3.165 -0.344 9.430 498 H GLY 69 HN GLY 69 1.585 -5.772 12.061 499 1HA GLY 69 1HA GLY 69 2.209 -5.709 14.902 500 2HA GLY 69 2HA GLY 69 0.821 -6.442 14.125 501 H ALA 70 HN ALA 70 4.441 -6.786 14.238 502 HA ALA 70 HA ALA 70 4.230 -9.512 14.995 503 1HB ALA 70 1HB ALA 70 5.479 -10.282 12.855 504 2HB ALA 70 2HB ALA 70 3.720 -10.034 12.751 505 3HB ALA 70 3HB ALA 70 4.833 -8.798 12.115 506 H GLU 71 HN GLU 71 6.330 -7.127 13.228 507 HA GLU 71 HA GLU 71 8.654 -8.093 14.470 508 1HB GLU 71 2HB GLU 71 9.585 -5.827 13.568 509 2HB GLU 71 3HB GLU 71 9.030 -7.022 12.412 510 1HG GLU 71 2HG GLU 71 7.252 -5.737 11.733 511 2HG GLU 71 3HG GLU 71 6.879 -5.209 13.362 512 H THR 72 HN THR 72 6.169 -5.726 15.322 513 HA THR 72 HA THR 72 7.790 -4.437 17.325 514 HB THR 72 HB THR 72 5.388 -3.461 17.816 515 HG1 THR 72 1HG THR 72 3.873 -4.421 16.516 516 1HG2 THR 72 1HG2 THR 72 6.629 -1.919 16.554 517 2HG2 THR 72 2HG2 THR 72 7.044 -3.123 15.311 518 3HG2 THR 72 3HG2 THR 72 5.420 -2.395 15.338 519 H THR 73 HN THR 73 8.080 -7.089 17.825 520 HA THR 73 HA THR 73 6.483 -7.376 20.277 521 HB THR 73 HB THR 73 6.991 -9.362 18.026 522 HG1 THR 73 1HG THR 73 5.018 -7.912 18.418 523 1HG2 THR 73 1HG2 THR 73 7.540 -10.239 20.499 524 2HG2 THR 73 2HG2 THR 73 5.769 -10.181 20.673 525 3HG2 THR 73 3HG2 THR 73 6.507 -11.202 19.415 526 H ARG 74 HN ARG 74 9.453 -8.333 18.453 527 HA ARG 74 HA ARG 74 10.714 -8.558 21.068 528 1HB ARG 74 2HB ARG 74 12.320 -10.126 20.030 529 2HB ARG 74 3HB ARG 74 10.683 -10.691 19.767 530 1HG ARG 74 2HG ARG 74 11.692 -8.866 17.643 531 2HG ARG 74 3HG ARG 74 12.585 -10.369 17.778 532 1HD ARG 74 2HD ARG 74 9.542 -10.367 17.701 533 2HD ARG 74 3HD ARG 74 10.477 -10.311 16.220 534 HE ARG 74 HE ARG 74 11.320 -12.437 18.060 535 1HH1 ARG 74 1HH1 ARG 74 9.984 -14.946 16.036 536 2HH1 ARG 74 2HH1 ARG 74 11.011 -14.599 17.387 537 1HH2 ARG 74 1HH2 ARG 74 8.921 -13.217 14.912 538 2HH2 ARG 74 2HH2 ARG 74 9.155 -11.579 15.423 539 H SER 75 HN SER 75 10.483 -6.789 18.121 540 HA SER 75 HA SER 75 13.170 -5.730 18.484 541 1HB SER 75 2HB SER 75 11.851 -6.573 16.173 542 2HB SER 75 3HB SER 75 11.668 -4.831 16.103 543 HG SER 75 HG SER 75 14.175 -5.064 16.769 544 H MET 76 HN MET 76 10.254 -5.193 19.747 545 HA MET 76 HA MET 76 10.224 -2.336 19.215 546 1HB MET 76 2HB MET 76 8.199 -4.303 19.462 547 2HB MET 76 3HB MET 76 8.113 -3.434 20.982 548 1HG MET 76 2HG MET 76 8.191 -1.977 18.304 549 2HG MET 76 3HG MET 76 6.685 -2.518 19.016 550 1HE MET 76 1HE MET 76 5.371 -0.623 20.851 551 2HE MET 76 2HE MET 76 6.062 -2.200 21.301 552 3HE MET 76 3HE MET 76 6.392 -0.767 22.303 553 H GLY 77 HN GLY 77 10.628 -4.800 21.776 554 1HA GLY 77 1HA GLY 77 10.792 -2.785 23.867 555 2HA GLY 77 2HA GLY 77 10.901 -4.524 24.043 556 H LEU 78 HN LEU 78 12.776 -2.767 21.566 557 HA LEU 78 HA LEU 78 15.191 -3.436 23.092 558 1HB LEU 78 2HB LEU 78 15.121 -2.913 20.140 559 2HB LEU 78 3HB LEU 78 16.319 -3.774 21.084 560 HG LEU 78 HG LEU 78 13.625 -4.711 20.134 561 1HD1 LEU 78 1HD1 LEU 78 16.323 -6.084 20.089 562 2HD1 LEU 78 2HD1 LEU 78 14.844 -6.546 19.213 563 3HD1 LEU 78 3HD1 LEU 78 15.705 -5.051 18.777 564 1HD2 LEU 78 1HD2 LEU 78 13.261 -5.559 22.194 565 2HD2 LEU 78 2HD2 LEU 78 14.394 -6.814 21.637 566 3HD2 LEU 78 3HD2 LEU 78 14.979 -5.478 22.656 567 H ALA 79 HN ALA 79 14.117 -1.047 20.565 568 HA ALA 79 HA ALA 79 15.619 0.970 22.086 569 1HB ALA 79 1HB ALA 79 15.423 2.154 19.743 570 2HB ALA 79 2HB ALA 79 16.629 0.867 19.984 571 3HB ALA 79 3HB ALA 79 15.098 0.507 19.151 572 H TYR 80 HN TYR 80 12.714 0.559 19.933 573 HA TYR 80 HA TYR 80 11.444 2.713 21.472 574 1HB TYR 80 2HB TYR 80 9.904 2.575 19.356 575 2HB TYR 80 3HB TYR 80 11.534 3.151 19.075 576 HD1 TYR 80 HD1 TYR 80 9.172 0.404 18.523 577 HD2 TYR 80 HD2 TYR 80 13.193 1.738 17.927 578 HE1 TYR 80 HE1 TYR 80 9.529 -1.423 16.792 579 HE2 TYR 80 HE2 TYR 80 13.537 -0.094 16.198 580 HH TYR 80 HH TYR 80 12.273 -1.453 14.744 Start of MODEL 29 1 H SER 1 HN SER 1 -1.845 -1.845 9.991 2 HA SER 1 HA SER 1 -3.349 -2.509 11.903 3 1HB SER 1 2HB SER 1 -5.342 -2.213 10.213 4 2HB SER 1 3HB SER 1 -4.926 -3.828 9.674 5 HG SER 1 HG SER 1 -6.289 -4.346 11.281 6 H HIS 2 HN HIS 2 -2.529 -3.961 8.695 7 HA HIS 2 HA HIS 2 -1.047 -6.008 10.152 8 1HB HIS 2 2HB HIS 2 -3.275 -6.397 8.231 9 2HB HIS 2 3HB HIS 2 -1.873 -7.419 7.987 10 HD1 HIS 2 HD1 HIS 2 -3.821 -6.335 11.125 11 HD2 HIS 2 HD2 HIS 2 -2.269 -9.772 9.286 12 HE1 HIS 2 HE1 HIS 2 -4.385 -8.288 12.667 13 H SER 3 HN SER 3 0.536 -7.166 8.570 14 HA SER 3 HA SER 3 2.388 -5.531 7.711 15 1HB SER 3 2HB SER 3 2.992 -7.311 5.967 16 2HB SER 3 3HB SER 3 2.813 -7.875 7.617 17 HG SER 3 HG SER 3 0.708 -7.989 5.629 18 H VAL 4 HN VAL 4 2.960 -4.314 5.835 19 HA VAL 4 HA VAL 4 0.734 -3.933 3.953 20 HB VAL 4 HB VAL 4 1.162 -2.026 5.438 21 1HG1 VAL 4 1HG1 VAL 4 3.416 -2.088 6.030 22 2HG1 VAL 4 2HG1 VAL 4 3.958 -2.292 4.348 23 3HG1 VAL 4 3HG1 VAL 4 3.344 -0.716 4.899 24 1HG2 VAL 4 1HG2 VAL 4 1.824 -0.392 3.426 25 2HG2 VAL 4 2HG2 VAL 4 1.531 -1.871 2.479 26 3HG2 VAL 4 3HG2 VAL 4 0.243 -1.206 3.513 27 H LYS 5 HN LYS 5 2.432 -6.093 3.533 28 HA LYS 5 HA LYS 5 4.763 -5.596 2.158 29 1HB LYS 5 2HB LYS 5 2.876 -7.813 2.489 30 2HB LYS 5 3HB LYS 5 3.670 -7.832 0.928 31 1HG LYS 5 2HG LYS 5 5.293 -7.363 3.450 32 2HG LYS 5 3HG LYS 5 4.838 -8.992 2.991 33 1HD LYS 5 2HD LYS 5 6.288 -7.059 1.125 34 2HD LYS 5 3HD LYS 5 7.112 -8.237 2.126 35 1HE LYS 5 2HE LYS 5 5.677 -10.048 1.010 36 2HE LYS 5 3HE LYS 5 5.100 -8.818 -0.097 37 1HZ LYS 5 1HZ LYS 5 7.479 -8.391 -0.610 38 2HZ LYS 5 2HZ LYS 5 7.867 -9.727 0.244 39 3HZ LYS 5 3HZ LYS 5 6.933 -9.854 -1.089 40 H ILE 6 HN ILE 6 4.708 -6.511 -0.408 41 HA ILE 6 HA ILE 6 3.289 -4.335 -1.723 42 HB ILE 6 HB ILE 6 5.550 -6.145 -2.558 43 1HG1 ILE 6 2HG1 ILE 6 6.514 -3.659 -2.799 44 2HG1 ILE 6 3HG1 ILE 6 5.318 -3.343 -1.558 45 1HG2 ILE 6 1HG2 ILE 6 5.215 -5.689 -4.702 46 2HG2 ILE 6 2HG2 ILE 6 3.644 -4.979 -4.262 47 3HG2 ILE 6 3HG2 ILE 6 5.089 -3.946 -4.365 48 1HD1 ILE 6 1HD1 ILE 6 7.892 -4.511 -1.223 49 2HD1 ILE 6 2HD1 ILE 6 6.632 -4.297 0.017 50 3HD1 ILE 6 3HD1 ILE 6 6.711 -5.808 -0.919 51 H TYR 7 HN TYR 7 1.167 -5.398 -1.364 52 HA TYR 7 HA TYR 7 0.778 -7.628 -3.245 53 1HB TYR 7 2HB TYR 7 -0.161 -6.841 -0.501 54 2HB TYR 7 3HB TYR 7 -1.458 -7.386 -1.546 55 HD1 TYR 7 HD1 TYR 7 -0.030 -8.612 1.057 56 HD2 TYR 7 HD2 TYR 7 0.057 -9.478 -3.132 57 HE1 TYR 7 HE1 TYR 7 0.574 -11.030 1.561 58 HE2 TYR 7 HE2 TYR 7 0.660 -11.893 -2.614 59 HH TYR 7 HH TYR 7 1.313 -13.287 -1.057 60 H ASP 8 HN ASP 8 -1.571 -7.679 -4.129 61 HA ASP 8 HA ASP 8 -2.026 -5.056 -5.211 62 1HB ASP 8 2HB ASP 8 -3.743 -6.345 -6.624 63 2HB ASP 8 3HB ASP 8 -2.064 -6.794 -6.848 64 H THR 9 HN THR 9 -2.649 -5.430 -2.385 65 HA THR 9 HA THR 9 -5.521 -5.828 -2.233 66 HB THR 9 HB THR 9 -4.142 -6.799 -0.469 67 HG1 THR 9 1HG THR 9 -4.988 -5.312 1.315 68 1HG2 THR 9 1HG2 THR 9 -2.631 -4.311 -0.757 69 2HG2 THR 9 2HG2 THR 9 -3.171 -4.511 0.927 70 3HG2 THR 9 3HG2 THR 9 -2.192 -5.779 0.149 71 H CYS 10 HN CYS 10 -6.492 -4.168 -3.384 72 HA CYS 10 HA CYS 10 -6.581 -1.701 -1.947 73 1HB CYS 10 2HB CYS 10 -4.567 -1.407 -3.432 74 2HB CYS 10 3HB CYS 10 -5.619 -1.587 -4.822 75 H ILE 11 HN ILE 11 -8.502 -0.473 -2.586 76 HA ILE 11 HA ILE 11 -10.268 -2.015 -4.359 77 HB ILE 11 HB ILE 11 -12.126 -1.286 -3.000 78 1HG1 ILE 11 2HG1 ILE 11 -11.196 -0.301 -0.635 79 2HG1 ILE 11 3HG1 ILE 11 -10.075 0.450 -1.753 80 1HG2 ILE 11 1HG2 ILE 11 -10.447 -2.310 -0.824 81 2HG2 ILE 11 2HG2 ILE 11 -11.889 -3.010 -1.597 82 3HG2 ILE 11 3HG2 ILE 11 -10.287 -3.220 -2.345 83 1HD1 ILE 11 1HD1 ILE 11 -12.968 0.489 -2.545 84 2HD1 ILE 11 2HD1 ILE 11 -12.490 1.525 -1.179 85 3HD1 ILE 11 3HD1 ILE 11 -11.712 1.731 -2.767 86 H GLY 12 HN GLY 12 -8.973 1.151 -3.355 87 1HA GLY 12 1HA GLY 12 -8.712 2.563 -5.445 88 2HA GLY 12 2HA GLY 12 -10.452 2.412 -5.579 89 H CYS 13 HN CYS 13 -8.509 2.727 -2.550 90 HA CYS 13 HA CYS 13 -9.876 5.285 -2.124 91 1HB CYS 13 2HB CYS 13 -10.603 4.592 -0.132 92 2HB CYS 13 3HB CYS 13 -10.097 2.974 -0.573 93 H THR 14 HN THR 14 -8.496 6.525 -0.247 94 HA THR 14 HA THR 14 -5.639 6.169 -0.825 95 HB THR 14 HB THR 14 -5.463 8.627 -1.154 96 HG1 THR 14 1HG THR 14 -8.385 8.456 -1.005 97 1HG2 THR 14 1HG2 THR 14 -7.750 7.420 -2.801 98 2HG2 THR 14 2HG2 THR 14 -6.868 8.912 -3.212 99 3HG2 THR 14 3HG2 THR 14 -6.021 7.346 -3.221 100 H GLN 15 HN GLN 15 -6.303 4.964 1.337 101 HA GLN 15 HA GLN 15 -6.289 6.913 3.485 102 1HB GLN 15 2HB GLN 15 -6.919 5.048 4.946 103 2HB GLN 15 3HB GLN 15 -7.995 5.107 3.564 104 1HG GLN 15 2HG GLN 15 -6.542 3.355 2.432 105 2HG GLN 15 3HG GLN 15 -5.605 3.237 3.907 106 1HE2 GLN 15 1HE2 GLN 15 -6.223 1.023 3.942 107 2HE2 GLN 15 2HE2 GLN 15 -7.756 0.523 4.576 108 H CYS 16 HN CYS 16 -4.537 3.984 2.270 109 HA CYS 16 HA CYS 16 -2.441 4.424 4.196 110 1HB CYS 16 2HB CYS 16 -1.577 2.341 3.551 111 2HB CYS 16 3HB CYS 16 -3.314 2.130 3.466 112 H VAL 17 HN VAL 17 -3.248 6.339 1.875 113 HA VAL 17 HA VAL 17 -0.562 6.486 0.690 114 HB VAL 17 HB VAL 17 -3.155 7.311 -0.625 115 1HG1 VAL 17 1HG1 VAL 17 -1.419 8.547 -1.606 116 2HG1 VAL 17 2HG1 VAL 17 -0.272 7.189 -1.517 117 3HG1 VAL 17 3HG1 VAL 17 -1.612 7.146 -2.688 118 1HG2 VAL 17 1HG2 VAL 17 -3.327 5.287 -1.713 119 2HG2 VAL 17 2HG2 VAL 17 -1.598 4.908 -1.520 120 3HG2 VAL 17 3HG2 VAL 17 -2.704 4.752 -0.134 121 H ARG 18 HN ARG 18 -2.356 7.703 3.076 122 HA ARG 18 HA ARG 18 -1.765 10.461 2.368 123 1HB ARG 18 2HB ARG 18 -4.034 9.191 3.657 124 2HB ARG 18 3HB ARG 18 -3.304 10.299 4.802 125 1HG ARG 18 2HG ARG 18 -4.998 11.485 3.470 126 2HG ARG 18 3HG ARG 18 -3.410 12.132 3.111 127 1HD ARG 18 2HD ARG 18 -3.743 9.993 1.275 128 2HD ARG 18 3HD ARG 18 -5.304 10.790 1.319 129 HE ARG 18 HE ARG 18 -3.574 12.921 1.125 130 1HH1 ARG 18 1HH1 ARG 18 -2.664 12.858 -2.244 131 2HH1 ARG 18 2HH1 ARG 18 -2.783 13.832 -0.817 132 1HH2 ARG 18 1HH2 ARG 18 -3.305 10.628 -2.185 133 2HH2 ARG 18 2HH2 ARG 18 -3.904 9.938 -0.713 134 H ALA 19 HN ALA 19 -1.730 8.086 5.124 135 HA ALA 19 HA ALA 19 0.081 9.760 6.614 136 1HB ALA 19 1HB ALA 19 -0.021 7.605 8.113 137 2HB ALA 19 2HB ALA 19 -1.455 8.651 7.983 138 3HB ALA 19 3HB ALA 19 -1.364 7.145 7.040 139 H CYS 20 HN CYS 20 1.795 9.838 4.942 140 HA CYS 20 HA CYS 20 3.691 7.769 5.433 141 1HB CYS 20 2HB CYS 20 2.238 6.832 3.557 142 2HB CYS 20 3HB CYS 20 2.854 8.122 2.543 143 HA PRO 21 HA PRO 21 5.468 11.824 4.803 144 1HB PRO 21 2HB PRO 21 7.450 11.591 6.671 145 2HB PRO 21 3HB PRO 21 5.859 12.228 7.036 146 1HG PRO 21 2HG PRO 21 6.995 9.583 7.706 147 2HG PRO 21 3HG PRO 21 5.607 10.390 8.406 148 1HD PRO 21 2HD PRO 21 5.565 8.235 6.514 149 2HD PRO 21 3HD PRO 21 4.181 9.119 7.127 150 H LEU 22 HN LEU 22 7.529 9.008 5.383 151 HA LEU 22 HA LEU 22 9.667 9.888 3.896 152 1HB LEU 22 2HB LEU 22 8.603 7.152 4.548 153 2HB LEU 22 3HB LEU 22 10.051 7.362 3.585 154 HG LEU 22 HG LEU 22 10.641 8.959 5.714 155 1HD1 LEU 22 1HD1 LEU 22 8.359 7.738 6.606 156 2HD1 LEU 22 2HD1 LEU 22 9.629 6.674 7.257 157 3HD1 LEU 22 3HD1 LEU 22 9.641 8.412 7.640 158 1HD2 LEU 22 1HD2 LEU 22 12.390 7.592 5.801 159 2HD2 LEU 22 2HD2 LEU 22 11.379 6.216 6.305 160 3HD2 LEU 22 3HD2 LEU 22 11.576 6.589 4.576 161 H ASP 23 HN ASP 23 6.560 8.465 2.867 162 HA ASP 23 HA ASP 23 5.586 8.662 0.902 163 1HB ASP 23 2HB ASP 23 7.512 10.509 0.490 164 2HB ASP 23 3HB ASP 23 8.117 9.289 -0.611 165 H VAL 24 HN VAL 24 6.250 6.216 1.804 166 HA VAL 24 HA VAL 24 7.876 4.883 -0.219 167 HB VAL 24 HB VAL 24 8.376 4.500 2.144 168 1HG1 VAL 24 1HG1 VAL 24 5.475 3.694 2.243 169 2HG1 VAL 24 2HG1 VAL 24 6.648 2.982 3.377 170 3HG1 VAL 24 3HG1 VAL 24 6.398 4.744 3.345 171 1HG2 VAL 24 1HG2 VAL 24 8.054 1.923 2.079 172 2HG2 VAL 24 2HG2 VAL 24 7.359 2.209 0.465 173 3HG2 VAL 24 3HG2 VAL 24 9.035 2.698 0.812 174 H LEU 25 HN LEU 25 4.556 5.159 1.083 175 HA LEU 25 HA LEU 25 3.591 3.002 -0.536 176 1HB LEU 25 2HB LEU 25 2.226 5.094 1.160 177 2HB LEU 25 3HB LEU 25 1.368 3.849 0.275 178 HG LEU 25 HG LEU 25 3.345 2.498 1.778 179 1HD1 LEU 25 1HD1 LEU 25 3.803 4.033 3.388 180 2HD1 LEU 25 2HD1 LEU 25 2.245 4.872 3.199 181 3HD1 LEU 25 3HD1 LEU 25 2.326 3.338 4.098 182 1HD2 LEU 25 1HD2 LEU 25 1.492 1.239 1.601 183 2HD2 LEU 25 2HD2 LEU 25 1.041 2.022 3.135 184 3HD2 LEU 25 3HD2 LEU 25 0.403 2.646 1.594 185 H GLU 26 HN GLU 26 3.688 3.244 -2.719 186 HA GLU 26 HA GLU 26 2.499 5.699 -3.737 187 1HB GLU 26 2HB GLU 26 4.930 4.287 -4.922 188 2HB GLU 26 3HB GLU 26 4.149 5.705 -5.591 189 1HG GLU 26 2HG GLU 26 5.040 5.841 -2.716 190 2HG GLU 26 3HG GLU 26 6.284 5.887 -3.949 191 H MET 27 HN MET 27 2.562 5.047 -6.491 192 HA MET 27 HA MET 27 0.658 2.867 -6.460 193 1HB MET 27 2HB MET 27 -0.021 3.783 -8.668 194 2HB MET 27 3HB MET 27 0.051 5.083 -7.495 195 1HG MET 27 2HG MET 27 1.469 6.175 -8.894 196 2HG MET 27 3HG MET 27 2.675 4.952 -8.545 197 1HE MET 27 1HE MET 27 1.246 6.523 -11.845 198 2HE MET 27 2HE MET 27 -0.122 5.403 -12.047 199 3HE MET 27 3HE MET 27 0.039 6.349 -10.548 200 H VAL 28 HN VAL 28 0.901 0.958 -7.663 201 HA VAL 28 HA VAL 28 3.438 0.722 -9.126 202 HB VAL 28 HB VAL 28 3.947 -1.260 -8.119 203 1HG1 VAL 28 1HG1 VAL 28 3.736 0.718 -6.453 204 2HG1 VAL 28 2HG1 VAL 28 2.339 -0.176 -5.809 205 3HG1 VAL 28 3HG1 VAL 28 3.953 -0.926 -5.806 206 1HG2 VAL 28 1HG2 VAL 28 1.034 -1.642 -8.064 207 2HG2 VAL 28 2HG2 VAL 28 2.345 -2.828 -8.268 208 3HG2 VAL 28 3HG2 VAL 28 1.867 -2.301 -6.636 209 HA PRO 29 HA PRO 29 1.117 -1.121 -12.285 210 1HB PRO 29 2HB PRO 29 2.476 -3.363 -13.058 211 2HB PRO 29 3HB PRO 29 2.961 -1.742 -13.515 212 1HG PRO 29 2HG PRO 29 4.169 -3.540 -11.504 213 2HG PRO 29 3HG PRO 29 4.865 -2.127 -12.271 214 1HD PRO 29 2HD PRO 29 3.814 -2.291 -9.607 215 2HD PRO 29 3HD PRO 29 4.403 -0.852 -10.415 216 H TRP 30 HN TRP 30 -0.923 -1.771 -12.096 217 HA TRP 30 HA TRP 30 -1.243 -4.492 -11.086 218 1HB TRP 30 2HB TRP 30 -1.541 -3.091 -9.135 219 2HB TRP 30 3HB TRP 30 -2.684 -2.072 -9.989 220 HD1 TRP 30 HD1 TRP 30 -5.132 -2.649 -9.320 221 HE1 TRP 30 HE1 TRP 30 -6.544 -4.745 -8.562 222 HE3 TRP 30 HE3 TRP 30 -1.299 -5.981 -9.568 223 HZ2 TRP 30 HZ2 TRP 30 -5.915 -7.499 -8.160 224 HZ3 TRP 30 HZ3 TRP 30 -1.782 -8.354 -8.977 225 HH2 TRP 30 HH2 TRP 30 -3.996 -9.131 -8.292 226 H ASP 31 HN ASP 31 -3.755 -5.056 -11.445 227 HA ASP 31 HA ASP 31 -4.674 -3.686 -13.828 228 1HB ASP 31 2HB ASP 31 -3.336 -5.984 -14.169 229 2HB ASP 31 3HB ASP 31 -4.859 -6.701 -13.682 230 H GLY 32 HN GLY 32 -5.943 -2.992 -11.650 231 1HA GLY 32 1HA GLY 32 -8.445 -4.470 -11.674 232 2HA GLY 32 2HA GLY 32 -7.586 -4.462 -10.148 233 H CYS 33 HN CYS 33 -6.361 -1.774 -10.543 234 HA CYS 33 HA CYS 33 -8.505 -0.270 -9.484 235 1HB CYS 33 2HB CYS 33 -5.694 -0.098 -9.492 236 2HB CYS 33 3HB CYS 33 -6.242 1.353 -10.308 237 HG CYS 33 HG CYS 33 -8.339 1.417 -8.323 238 H LYS 34 HN LYS 34 -8.922 2.059 -10.474 239 HA LYS 34 HA LYS 34 -10.014 1.665 -13.034 240 1HB LYS 34 2HB LYS 34 -10.203 3.552 -10.926 241 2HB LYS 34 3HB LYS 34 -9.751 4.455 -12.358 242 1HG LYS 34 2HG LYS 34 -11.859 2.375 -12.776 243 2HG LYS 34 3HG LYS 34 -12.328 3.722 -11.759 244 1HD LYS 34 2HD LYS 34 -12.389 5.181 -13.515 245 2HD LYS 34 3HD LYS 34 -10.860 4.612 -14.157 246 1HE LYS 34 2HE LYS 34 -12.723 2.482 -14.563 247 2HE LYS 34 3HE LYS 34 -13.562 3.950 -15.023 248 1HZ LYS 34 1HZ LYS 34 -11.569 4.498 -16.358 249 2HZ LYS 34 2HZ LYS 34 -10.980 3.008 -16.049 250 3HZ LYS 34 3HZ LYS 34 -12.375 3.177 -16.880 251 H ALA 35 HN ALA 35 -6.836 2.543 -11.897 252 HA ALA 35 HA ALA 35 -6.139 3.326 -14.646 253 1HB ALA 35 1HB ALA 35 -4.158 4.458 -13.310 254 2HB ALA 35 2HB ALA 35 -5.734 5.273 -13.441 255 3HB ALA 35 3HB ALA 35 -5.310 4.392 -11.954 256 H GLY 36 HN GLY 36 -6.362 0.622 -13.240 257 1HA GLY 36 1HA GLY 36 -5.134 -1.248 -12.910 258 2HA GLY 36 2HA GLY 36 -4.333 -0.742 -14.386 259 H GLN 37 HN GLN 37 -4.328 0.541 -10.978 260 HA GLN 37 HA GLN 37 -1.547 -0.155 -10.788 261 1HB GLN 37 2HB GLN 37 -0.964 2.220 -10.053 262 2HB GLN 37 3HB GLN 37 -1.256 2.008 -11.768 263 1HG GLN 37 2HG GLN 37 -2.828 3.637 -11.644 264 2HG GLN 37 3HG GLN 37 -3.812 2.554 -10.679 265 1HE2 GLN 37 1HE2 GLN 37 -4.220 3.022 -8.636 266 2HE2 GLN 37 2HE2 GLN 37 -3.492 4.287 -7.703 267 H ILE 38 HN ILE 38 -1.267 -1.042 -8.789 268 HA ILE 38 HA ILE 38 -3.257 -0.383 -6.760 269 HB ILE 38 HB ILE 38 -2.685 -2.758 -7.562 270 1HG1 ILE 38 2HG1 ILE 38 -2.541 -3.190 -4.782 271 2HG1 ILE 38 3HG1 ILE 38 -3.397 -1.673 -4.972 272 1HG2 ILE 38 1HG2 ILE 38 -0.837 -3.742 -6.045 273 2HG2 ILE 38 2HG2 ILE 38 -0.364 -2.888 -7.533 274 3HG2 ILE 38 3HG2 ILE 38 -0.234 -2.070 -5.958 275 1HD1 ILE 38 1HD1 ILE 38 -5.026 -3.480 -5.046 276 2HD1 ILE 38 2HD1 ILE 38 -4.897 -2.791 -6.683 277 3HD1 ILE 38 3HD1 ILE 38 -4.091 -4.332 -6.298 278 H ALA 39 HN ALA 39 -2.762 0.688 -4.882 279 HA ALA 39 HA ALA 39 -0.274 2.068 -4.817 280 1HB ALA 39 1HB ALA 39 -1.592 2.354 -2.341 281 2HB ALA 39 2HB ALA 39 -1.673 3.457 -3.735 282 3HB ALA 39 3HB ALA 39 -2.890 2.170 -3.546 283 H SER 40 HN SER 40 1.558 0.894 -4.411 284 HA SER 40 HA SER 40 1.543 -0.563 -1.909 285 1HB SER 40 2HB SER 40 2.600 -1.674 -4.546 286 2HB SER 40 3HB SER 40 2.885 -2.409 -2.982 287 HG SER 40 HG SER 40 0.189 -1.841 -3.774 288 H SER 41 HN SER 41 4.065 -1.315 -1.546 289 HA SER 41 HA SER 41 5.621 1.054 -2.241 290 1HB SER 41 2HB SER 41 5.504 -0.606 0.293 291 2HB SER 41 3HB SER 41 6.933 0.338 -0.077 292 HG SER 41 HG SER 41 4.232 1.295 0.304 293 HA PRO 42 HA PRO 42 7.835 -2.323 -4.167 294 1HB PRO 42 2HB PRO 42 8.820 -0.891 -6.275 295 2HB PRO 42 3HB PRO 42 7.287 -1.740 -6.326 296 1HG PRO 42 2HG PRO 42 7.793 1.162 -6.071 297 2HG PRO 42 3HG PRO 42 6.318 0.342 -6.545 298 1HD PRO 42 2HD PRO 42 6.877 1.533 -3.996 299 2HD PRO 42 3HD PRO 42 5.451 0.612 -4.433 300 H ARG 43 HN ARG 43 9.186 0.942 -4.049 301 HA ARG 43 HA ARG 43 11.707 -0.301 -3.385 302 1HB ARG 43 2HB ARG 43 11.108 2.659 -3.867 303 2HB ARG 43 3HB ARG 43 12.693 1.913 -3.826 304 1HG ARG 43 2HG ARG 43 10.577 1.005 -5.817 305 2HG ARG 43 3HG ARG 43 11.615 2.375 -6.159 306 1HD ARG 43 2HD ARG 43 13.035 0.790 -7.020 307 2HD ARG 43 3HD ARG 43 13.499 0.549 -5.347 308 HE ARG 43 HE ARG 43 11.339 -1.119 -5.548 309 1HH1 ARG 43 1HH1 ARG 43 12.560 -3.824 -7.383 310 2HH1 ARG 43 2HH1 ARG 43 11.348 -3.287 -6.268 311 1HH2 ARG 43 1HH2 ARG 43 14.175 -2.341 -8.145 312 2HH2 ARG 43 2HH2 ARG 43 14.168 -0.698 -7.599 313 H THR 44 HN THR 44 10.984 -0.951 -1.186 314 HA THR 44 HA THR 44 10.347 1.210 0.649 315 HB THR 44 HB THR 44 10.535 -1.837 0.881 316 HG1 THR 44 1HG THR 44 8.761 -0.671 -0.334 317 1HG2 THR 44 1HG2 THR 44 10.364 0.254 2.958 318 2HG2 THR 44 2HG2 THR 44 8.929 -0.797 2.948 319 3HG2 THR 44 3HG2 THR 44 10.548 -1.506 3.150 320 H GLU 45 HN GLU 45 13.048 0.924 -0.767 321 HA GLU 45 HA GLU 45 14.958 0.019 0.926 322 1HB GLU 45 2HB GLU 45 16.503 1.386 -0.300 323 2HB GLU 45 3HB GLU 45 15.241 0.935 -1.430 324 1HG GLU 45 2HG GLU 45 14.153 3.110 -1.207 325 2HG GLU 45 3HG GLU 45 15.197 3.557 0.129 326 H ASP 46 HN ASP 46 12.865 2.824 1.262 327 HA ASP 46 HA ASP 46 14.317 3.467 3.700 328 1HB ASP 46 2HB ASP 46 13.478 5.246 1.441 329 2HB ASP 46 3HB ASP 46 13.179 5.877 3.047 330 H CYS 47 HN CYS 47 12.809 2.581 5.174 331 HA CYS 47 HA CYS 47 10.600 3.872 5.934 332 1HB CYS 47 2HB CYS 47 9.242 3.692 4.100 333 2HB CYS 47 3HB CYS 47 9.959 2.187 3.560 334 H VAL 48 HN VAL 48 9.668 2.773 7.762 335 HA VAL 48 HA VAL 48 9.863 0.013 8.158 336 HB VAL 48 HB VAL 48 12.269 0.488 8.235 337 1HG1 VAL 48 1HG1 VAL 48 13.047 2.356 9.169 338 2HG1 VAL 48 2HG1 VAL 48 11.426 2.751 9.785 339 3HG1 VAL 48 3HG1 VAL 48 12.531 1.760 10.765 340 1HG2 VAL 48 1HG2 VAL 48 12.622 -1.036 9.873 341 2HG2 VAL 48 2HG2 VAL 48 11.715 -0.101 11.087 342 3HG2 VAL 48 3HG2 VAL 48 10.843 -1.107 9.905 343 H GLY 49 HN GLY 49 7.635 1.132 8.460 344 1HA GLY 49 1HA GLY 49 5.965 1.690 9.854 345 2HA GLY 49 2HA GLY 49 6.940 1.037 11.155 346 H CYS 50 HN CYS 50 5.570 3.876 9.797 347 HA CYS 50 HA CYS 50 6.784 5.445 11.878 348 1HB CYS 50 2HB CYS 50 7.943 6.981 10.636 349 2HB CYS 50 3HB CYS 50 8.229 5.551 9.665 350 H LYS 51 HN LYS 51 5.801 7.946 11.218 351 HA LYS 51 HA LYS 51 3.892 9.061 11.495 352 1HB LYS 51 2HB LYS 51 4.159 9.121 9.088 353 2HB LYS 51 3HB LYS 51 3.345 7.580 8.908 354 1HG LYS 51 2HG LYS 51 1.502 8.906 8.545 355 2HG LYS 51 3HG LYS 51 1.417 8.907 10.296 356 1HD LYS 51 2HD LYS 51 2.918 11.003 10.248 357 2HD LYS 51 3HD LYS 51 2.667 11.044 8.514 358 1HE LYS 51 2HE LYS 51 0.084 10.867 9.207 359 2HE LYS 51 3HE LYS 51 0.666 11.503 10.733 360 1HZ LYS 51 1HZ LYS 51 0.001 13.156 8.995 361 2HZ LYS 51 2HZ LYS 51 1.463 13.402 9.680 362 3HZ LYS 51 3HZ LYS 51 1.362 12.762 8.181 363 H ARG 52 HN ARG 52 1.971 6.561 9.891 364 HA ARG 52 HA ARG 52 1.316 5.019 12.029 365 1HB ARG 52 2HB ARG 52 0.347 7.572 12.542 366 2HB ARG 52 3HB ARG 52 -1.044 6.827 11.780 367 1HG ARG 52 2HG ARG 52 -1.505 5.640 13.656 368 2HG ARG 52 3HG ARG 52 0.098 4.932 13.652 369 1HD ARG 52 2HD ARG 52 0.398 7.659 14.510 370 2HD ARG 52 3HD ARG 52 -0.958 6.993 15.398 371 HE ARG 52 HE ARG 52 1.351 5.192 15.311 372 1HH1 ARG 52 1HH1 ARG 52 2.174 5.784 18.650 373 2HH1 ARG 52 2HH1 ARG 52 2.449 4.773 17.271 374 1HH2 ARG 52 1HH2 ARG 52 0.693 7.564 18.507 375 2HH2 ARG 52 2HH2 ARG 52 -0.139 7.882 17.022 376 H CYS 53 HN CYS 53 1.713 4.488 9.376 377 HA CYS 53 HA CYS 53 -0.393 4.683 7.647 378 1HB CYS 53 2HB CYS 53 0.653 2.291 6.908 379 2HB CYS 53 3HB CYS 53 1.359 3.842 6.500 380 H GLU 54 HN GLU 54 0.449 1.468 9.070 381 HA GLU 54 HA GLU 54 -0.990 -0.237 9.304 382 1HB GLU 54 2HB GLU 54 -1.113 1.704 11.549 383 2HB GLU 54 3HB GLU 54 -2.407 0.522 11.556 384 1HG GLU 54 2HG GLU 54 -0.345 -1.159 11.031 385 2HG GLU 54 3HG GLU 54 0.556 0.099 11.853 386 H THR 55 HN THR 55 -2.155 0.614 7.179 387 HA THR 55 HA THR 55 -4.926 0.294 7.613 388 HB THR 55 HB THR 55 -4.584 2.713 8.356 389 HG1 THR 55 1HG THR 55 -6.634 2.626 7.524 390 1HG2 THR 55 1HG2 THR 55 -4.468 3.572 5.506 391 2HG2 THR 55 2HG2 THR 55 -3.713 4.311 6.939 392 3HG2 THR 55 3HG2 THR 55 -2.929 2.932 6.132 393 H ALA 56 HN ALA 56 -2.823 -1.000 6.153 394 HA ALA 56 HA ALA 56 -2.733 -0.227 3.482 395 1HB ALA 56 1HB ALA 56 -2.585 -3.045 4.624 396 2HB ALA 56 2HB ALA 56 -1.865 -2.458 3.106 397 3HB ALA 56 3HB ALA 56 -1.244 -1.875 4.669 398 H CYS 57 HN CYS 57 -4.539 -3.117 4.736 399 HA CYS 57 HA CYS 57 -7.041 -2.443 4.005 400 1HB CYS 57 2HB CYS 57 -5.455 -2.748 1.614 401 2HB CYS 57 3HB CYS 57 -6.669 -4.010 1.667 402 HA PRO 58 HA PRO 58 -6.225 -6.543 5.764 403 1HB PRO 58 2HB PRO 58 -7.633 -6.218 8.083 404 2HB PRO 58 3HB PRO 58 -5.913 -5.907 7.954 405 1HG PRO 58 2HG PRO 58 -8.140 -3.970 8.105 406 2HG PRO 58 3HG PRO 58 -6.434 -3.705 8.401 407 1HD PRO 58 2HD PRO 58 -7.905 -2.952 6.058 408 2HD PRO 58 3HD PRO 58 -6.178 -2.792 6.307 409 H THR 59 HN THR 59 -7.365 -8.410 5.495 410 HA THR 59 HA THR 59 -9.120 -9.673 4.968 411 HB THR 59 HB THR 59 -10.824 -7.328 5.959 412 HG1 THR 59 1HG THR 59 -9.447 -9.619 7.167 413 1HG2 THR 59 1HG2 THR 59 -12.124 -9.495 6.815 414 2HG2 THR 59 2HG2 THR 59 -12.384 -8.911 5.154 415 3HG2 THR 59 3HG2 THR 59 -11.289 -10.283 5.454 416 H ASP 60 HN ASP 60 -9.930 -6.249 4.075 417 HA ASP 60 HA ASP 60 -11.470 -6.515 2.021 418 1HB ASP 60 2HB ASP 60 -9.363 -4.685 2.745 419 2HB ASP 60 3HB ASP 60 -9.269 -4.929 1.013 420 H PHE 61 HN PHE 61 -7.950 -7.330 2.039 421 HA PHE 61 HA PHE 61 -8.338 -9.176 -0.109 422 1HB PHE 61 2HB PHE 61 -7.922 -6.652 -0.959 423 2HB PHE 61 3HB PHE 61 -6.265 -6.965 -0.483 424 HD1 PHE 61 1HD PHE 61 -5.858 -9.742 -1.299 425 HD2 PHE 61 2HD PHE 61 -7.944 -6.618 -3.273 426 HE1 PHE 61 1HE PHE 61 -5.430 -10.852 -3.509 427 HE2 PHE 61 2HE PHE 61 -7.517 -7.729 -5.484 428 HZ PHE 61 HZ PHE 61 -6.265 -9.832 -5.576 429 H LEU 62 HN LEU 62 -5.925 -7.241 1.790 430 HA LEU 62 HA LEU 62 -3.741 -8.755 1.657 431 1HB LEU 62 2HB LEU 62 -5.020 -7.225 3.872 432 2HB LEU 62 3HB LEU 62 -3.635 -8.225 4.260 433 HG LEU 62 HG LEU 62 -3.410 -6.349 1.938 434 1HD1 LEU 62 1HD1 LEU 62 -2.526 -5.013 4.322 435 2HD1 LEU 62 2HD1 LEU 62 -3.689 -4.474 3.087 436 3HD1 LEU 62 3HD1 LEU 62 -4.248 -5.433 4.477 437 1HD2 LEU 62 1HD2 LEU 62 -1.417 -7.091 4.093 438 2HD2 LEU 62 2HD2 LEU 62 -1.619 -7.984 2.567 439 3HD2 LEU 62 3HD2 LEU 62 -1.098 -6.283 2.540 440 H SER 63 HN SER 63 -3.035 -10.781 2.183 441 HA SER 63 HA SER 63 -5.064 -12.515 3.297 442 1HB SER 63 2HB SER 63 -2.521 -12.978 1.712 443 2HB SER 63 3HB SER 63 -3.276 -14.301 2.578 444 HG SER 63 HG SER 63 -4.986 -12.716 0.954 445 H ILE 64 HN ILE 64 -1.512 -13.020 3.469 446 HA ILE 64 HA ILE 64 -1.337 -12.266 6.210 447 HB ILE 64 HB ILE 64 -0.709 -14.630 6.928 448 1HG1 ILE 64 2HG1 ILE 64 -2.615 -15.601 4.833 449 2HG1 ILE 64 3HG1 ILE 64 -0.941 -15.353 4.382 450 1HG2 ILE 64 1HG2 ILE 64 -3.652 -14.390 6.391 451 2HG2 ILE 64 2HG2 ILE 64 -2.800 -14.938 7.854 452 3HG2 ILE 64 3HG2 ILE 64 -2.836 -13.206 7.442 453 1HD1 ILE 64 1HD1 ILE 64 -2.035 -17.188 6.547 454 2HD1 ILE 64 2HD1 ILE 64 -1.060 -17.624 5.123 455 3HD1 ILE 64 3HD1 ILE 64 -0.315 -16.738 6.474 456 H ARG 65 HN ARG 65 0.744 -11.670 6.617 457 HA ARG 65 HA ARG 65 2.795 -12.934 5.027 458 1HB ARG 65 2HB ARG 65 2.221 -9.941 5.112 459 2HB ARG 65 3HB ARG 65 3.813 -10.546 4.704 460 1HG ARG 65 2HG ARG 65 1.528 -11.816 3.240 461 2HG ARG 65 3HG ARG 65 1.832 -10.131 2.861 462 1HD ARG 65 2HD ARG 65 3.289 -11.124 1.341 463 2HD ARG 65 3HD ARG 65 4.379 -10.959 2.704 464 HE ARG 65 HE ARG 65 3.135 -13.432 3.101 465 1HH1 ARG 65 1HH1 ARG 65 5.112 -15.450 1.051 466 2HH1 ARG 65 2HH1 ARG 65 4.006 -15.420 2.384 467 1HH2 ARG 65 1HH2 ARG 65 5.710 -13.472 -0.006 468 2HH2 ARG 65 2HH2 ARG 65 5.050 -11.965 0.538 469 H VAL 66 HN VAL 66 1.861 -10.628 7.646 470 HA VAL 66 HA VAL 66 2.679 -10.284 9.670 471 HB VAL 66 HB VAL 66 4.212 -12.838 9.143 472 1HG1 VAL 66 1HG1 VAL 66 3.718 -11.379 11.761 473 2HG1 VAL 66 2HG1 VAL 66 4.477 -12.979 11.587 474 3HG1 VAL 66 3HG1 VAL 66 5.280 -11.536 10.922 475 1HG2 VAL 66 1HG2 VAL 66 1.508 -12.246 10.355 476 2HG2 VAL 66 2HG2 VAL 66 1.926 -13.382 9.050 477 3HG2 VAL 66 3HG2 VAL 66 2.396 -13.743 10.729 478 H TYR 67 HN TYR 67 3.691 -8.317 9.260 479 HA TYR 67 HA TYR 67 6.585 -8.466 9.139 480 1HB TYR 67 2HB TYR 67 4.687 -7.640 6.982 481 2HB TYR 67 3HB TYR 67 5.848 -6.382 7.355 482 HD1 TYR 67 HD1 TYR 67 7.985 -6.433 6.392 483 HD2 TYR 67 HD2 TYR 67 5.651 -10.017 6.485 484 HE1 TYR 67 HE1 TYR 67 9.711 -7.602 4.938 485 HE2 TYR 67 HE2 TYR 67 7.384 -11.174 5.029 486 HH TYR 67 HH TYR 67 10.242 -10.467 4.726 487 H LEU 68 HN LEU 68 3.595 -6.435 9.250 488 HA LEU 68 HA LEU 68 4.523 -4.067 10.048 489 1HB LEU 68 2HB LEU 68 2.103 -5.633 10.510 490 2HB LEU 68 3HB LEU 68 2.408 -4.471 11.785 491 HG LEU 68 HG LEU 68 1.957 -3.952 8.847 492 1HD1 LEU 68 1HD1 LEU 68 0.599 -2.879 11.335 493 2HD1 LEU 68 2HD1 LEU 68 0.158 -2.519 9.649 494 3HD1 LEU 68 3HD1 LEU 68 -0.021 -4.173 10.281 495 1HD2 LEU 68 1HD2 LEU 68 2.313 -1.475 9.603 496 2HD2 LEU 68 2HD2 LEU 68 3.337 -2.208 10.862 497 3HD2 LEU 68 3HD2 LEU 68 3.708 -2.482 9.143 498 H GLY 69 HN GLY 69 3.946 -6.857 12.305 499 1HA GLY 69 1HA GLY 69 5.734 -5.509 14.232 500 2HA GLY 69 2HA GLY 69 4.456 -6.639 14.636 501 H ALA 70 HN ALA 70 7.611 -6.347 12.898 502 HA ALA 70 HA ALA 70 8.567 -8.740 14.044 503 1HB ALA 70 1HB ALA 70 7.192 -9.942 12.523 504 2HB ALA 70 2HB ALA 70 7.550 -8.824 11.187 505 3HB ALA 70 3HB ALA 70 8.809 -9.934 11.779 506 H GLU 71 HN GLU 71 8.765 -6.632 11.092 507 HA GLU 71 HA GLU 71 11.327 -6.802 10.493 508 1HB GLU 71 2HB GLU 71 9.466 -4.423 10.589 509 2HB GLU 71 3HB GLU 71 11.136 -4.174 10.117 510 1HG GLU 71 2HG GLU 71 9.731 -6.476 8.805 511 2HG GLU 71 3HG GLU 71 9.168 -4.877 8.359 512 H THR 72 HN THR 72 10.144 -4.288 12.854 513 HA THR 72 HA THR 72 12.130 -4.883 14.762 514 HB THR 72 HB THR 72 13.599 -3.907 12.963 515 HG1 THR 72 1HG THR 72 14.440 -2.279 14.512 516 1HG2 THR 72 1HG2 THR 72 12.692 -2.148 11.781 517 2HG2 THR 72 2HG2 THR 72 11.495 -1.805 13.053 518 3HG2 THR 72 3HG2 THR 72 13.152 -1.170 13.195 519 H THR 73 HN THR 73 9.490 -4.788 15.120 520 HA THR 73 HA THR 73 8.670 -2.121 15.857 521 HB THR 73 HB THR 73 7.463 -4.919 15.919 522 HG1 THR 73 1HG THR 73 7.669 -3.351 14.002 523 1HG2 THR 73 1HG2 THR 73 6.661 -2.526 17.480 524 2HG2 THR 73 2HG2 THR 73 5.391 -3.101 16.374 525 3HG2 THR 73 3HG2 THR 73 6.067 -4.199 17.601 526 H ARG 74 HN ARG 74 9.731 -5.136 17.512 527 HA ARG 74 HA ARG 74 9.421 -3.804 20.030 528 1HB ARG 74 2HB ARG 74 10.107 -5.977 21.001 529 2HB ARG 74 3HB ARG 74 8.856 -6.224 19.800 530 1HG ARG 74 2HG ARG 74 11.541 -6.281 18.593 531 2HG ARG 74 3HG ARG 74 11.383 -7.472 19.869 532 1HD ARG 74 2HD ARG 74 9.128 -7.241 17.874 533 2HD ARG 74 3HD ARG 74 10.614 -8.004 17.345 534 HE ARG 74 HE ARG 74 8.721 -9.046 19.344 535 1HH1 ARG 74 1HH1 ARG 74 10.568 -11.976 19.772 536 2HH1 ARG 74 2HH1 ARG 74 9.067 -11.175 20.098 537 1HH2 ARG 74 1HH2 ARG 74 12.228 -10.885 18.573 538 2HH2 ARG 74 2HH2 ARG 74 11.966 -9.270 18.001 539 H SER 75 HN SER 75 11.821 -4.249 17.565 540 HA SER 75 HA SER 75 14.015 -3.982 19.405 541 1HB SER 75 2HB SER 75 13.645 -4.899 16.671 542 2HB SER 75 3HB SER 75 14.904 -3.680 16.708 543 HG SER 75 HG SER 75 16.221 -5.080 17.642 544 H MET 76 HN MET 76 11.732 -1.942 18.027 545 HA MET 76 HA MET 76 13.430 0.156 17.195 546 1HB MET 76 2HB MET 76 10.519 -0.401 17.505 547 2HB MET 76 3HB MET 76 10.925 1.278 17.804 548 1HG MET 76 2HG MET 76 12.208 0.054 15.389 549 2HG MET 76 3HG MET 76 10.469 0.246 15.303 550 1HE MET 76 1HE MET 76 12.237 1.248 13.473 551 2HE MET 76 2HE MET 76 11.467 2.819 13.142 552 3HE MET 76 3HE MET 76 13.146 2.757 13.729 553 H GLY 77 HN GLY 77 14.767 1.167 18.646 554 1HA GLY 77 1HA GLY 77 15.031 2.790 20.299 555 2HA GLY 77 2HA GLY 77 13.522 2.302 21.045 556 H LEU 78 HN LEU 78 14.990 -0.583 20.241 557 HA LEU 78 HA LEU 78 16.292 -0.725 22.871 558 1HB LEU 78 2HB LEU 78 14.758 -2.279 23.248 559 2HB LEU 78 3HB LEU 78 14.295 -2.376 21.560 560 HG LEU 78 HG LEU 78 15.063 -4.530 22.414 561 1HD1 LEU 78 1HD1 LEU 78 15.895 -5.077 20.418 562 2HD1 LEU 78 2HD1 LEU 78 15.790 -3.343 20.027 563 3HD1 LEU 78 3HD1 LEU 78 17.319 -4.031 20.627 564 1HD2 LEU 78 1HD2 LEU 78 16.854 -4.824 23.700 565 2HD2 LEU 78 2HD2 LEU 78 17.908 -3.941 22.569 566 3HD2 LEU 78 3HD2 LEU 78 16.971 -3.050 23.793 567 H ALA 79 HN ALA 79 16.484 -1.387 19.374 568 HA ALA 79 HA ALA 79 19.302 -2.115 19.796 569 1HB ALA 79 1HB ALA 79 18.869 -4.029 18.708 570 2HB ALA 79 2HB ALA 79 17.168 -3.552 18.497 571 3HB ALA 79 3HB ALA 79 18.380 -3.084 17.280 572 H TYR 80 HN TYR 80 16.830 -0.271 18.016 573 HA TYR 80 HA TYR 80 16.967 1.432 16.602 574 1HB TYR 80 2HB TYR 80 19.788 1.634 17.830 575 2HB TYR 80 3HB TYR 80 18.959 2.950 17.022 576 HD1 TYR 80 HD1 TYR 80 18.852 0.743 20.017 577 HD2 TYR 80 HD2 TYR 80 17.428 4.344 18.195 578 HE1 TYR 80 HE1 TYR 80 17.837 1.471 22.232 579 HE2 TYR 80 HE2 TYR 80 16.419 5.060 20.417 580 HH TYR 80 HH TYR 80 17.244 4.133 23.150 Start of MODEL 30 1 H SER 1 HN SER 1 -5.323 -0.399 9.499 2 HA SER 1 HA SER 1 -5.729 -1.286 11.466 3 1HB SER 1 2HB SER 1 -7.220 -3.048 9.849 4 2HB SER 1 3HB SER 1 -6.198 -4.108 10.799 5 HG SER 1 HG SER 1 -6.976 -3.021 12.738 6 H HIS 2 HN HIS 2 -4.199 -3.687 9.203 7 HA HIS 2 HA HIS 2 -1.745 -3.492 10.635 8 1HB HIS 2 2HB HIS 2 -1.647 -5.968 11.131 9 2HB HIS 2 3HB HIS 2 -2.668 -5.003 12.180 10 HD1 HIS 2 HD1 HIS 2 -4.349 -6.789 12.849 11 HD2 HIS 2 HD2 HIS 2 -3.911 -6.427 8.693 12 HE1 HIS 2 HE1 HIS 2 -6.185 -8.225 11.809 13 H SER 3 HN SER 3 -0.053 -4.985 9.572 14 HA SER 3 HA SER 3 0.998 -5.618 7.785 15 1HB SER 3 2HB SER 3 -0.064 -7.105 6.222 16 2HB SER 3 3HB SER 3 -0.823 -7.386 7.776 17 HG SER 3 HG SER 3 -2.265 -7.125 5.809 18 H VAL 4 HN VAL 4 1.707 -4.812 5.705 19 HA VAL 4 HA VAL 4 0.107 -3.260 4.031 20 HB VAL 4 HB VAL 4 0.103 -1.731 5.965 21 1HG1 VAL 4 1HG1 VAL 4 2.534 -2.476 6.602 22 2HG1 VAL 4 2HG1 VAL 4 3.020 -1.157 5.511 23 3HG1 VAL 4 3HG1 VAL 4 1.999 -0.809 6.927 24 1HG2 VAL 4 1HG2 VAL 4 1.436 -0.906 3.387 25 2HG2 VAL 4 2HG2 VAL 4 -0.240 -0.636 3.926 26 3HG2 VAL 4 3HG2 VAL 4 1.093 0.281 4.669 27 H LYS 5 HN LYS 5 1.632 -5.312 3.358 28 HA LYS 5 HA LYS 5 4.304 -4.383 2.732 29 1HB LYS 5 2HB LYS 5 2.934 -6.961 2.992 30 2HB LYS 5 3HB LYS 5 3.955 -6.880 1.571 31 1HG LYS 5 2HG LYS 5 5.514 -5.659 3.572 32 2HG LYS 5 3HG LYS 5 4.719 -6.973 4.416 33 1HD LYS 5 2HD LYS 5 6.724 -7.936 3.545 34 2HD LYS 5 3HD LYS 5 5.455 -8.505 2.477 35 1HE LYS 5 2HE LYS 5 6.245 -7.308 0.677 36 2HE LYS 5 3HE LYS 5 6.639 -5.905 1.651 37 1HZ LYS 5 1HZ LYS 5 8.717 -6.580 1.752 38 2HZ LYS 5 2HZ LYS 5 8.310 -8.053 2.329 39 3HZ LYS 5 3HZ LYS 5 8.376 -7.796 0.717 40 H ILE 6 HN ILE 6 4.879 -5.416 0.283 41 HA ILE 6 HA ILE 6 3.490 -3.579 -1.416 42 HB ILE 6 HB ILE 6 5.666 -5.593 -1.991 43 1HG1 ILE 6 2HG1 ILE 6 6.988 -3.318 -2.066 44 2HG1 ILE 6 3HG1 ILE 6 5.695 -2.747 -1.030 45 1HG2 ILE 6 1HG2 ILE 6 5.860 -4.784 -4.113 46 2HG2 ILE 6 2HG2 ILE 6 4.106 -4.580 -3.886 47 3HG2 ILE 6 3HG2 ILE 6 5.197 -3.187 -3.691 48 1HD1 ILE 6 1HD1 ILE 6 6.314 -4.102 0.742 49 2HD1 ILE 6 2HD1 ILE 6 6.907 -5.400 -0.320 50 3HD1 ILE 6 3HD1 ILE 6 7.902 -3.950 -0.045 51 H TYR 7 HN TYR 7 1.352 -4.752 -0.843 52 HA TYR 7 HA TYR 7 1.014 -7.062 -2.630 53 1HB TYR 7 2HB TYR 7 -0.247 -5.961 -0.074 54 2HB TYR 7 3HB TYR 7 -1.223 -6.997 -1.097 55 HD1 TYR 7 HD1 TYR 7 -1.468 -8.937 0.215 56 HD2 TYR 7 HD2 TYR 7 2.434 -7.293 -0.393 57 HE1 TYR 7 HE1 TYR 7 -0.427 -10.984 1.306 58 HE2 TYR 7 HE2 TYR 7 3.462 -9.346 0.700 59 HH TYR 7 HH TYR 7 2.373 -11.125 2.567 60 H ASP 8 HN ASP 8 -1.172 -7.198 -3.723 61 HA ASP 8 HA ASP 8 -1.686 -4.630 -4.891 62 1HB ASP 8 2HB ASP 8 -3.306 -6.089 -6.320 63 2HB ASP 8 3HB ASP 8 -1.582 -6.338 -6.518 64 H THR 9 HN THR 9 -2.482 -4.752 -2.160 65 HA THR 9 HA THR 9 -5.340 -5.340 -2.160 66 HB THR 9 HB THR 9 -3.766 -6.118 -0.319 67 HG1 THR 9 1HG THR 9 -5.298 -5.199 1.314 68 1HG2 THR 9 1HG2 THR 9 -2.605 -4.631 1.024 69 2HG2 THR 9 2HG2 THR 9 -2.677 -3.584 -0.414 70 3HG2 THR 9 3HG2 THR 9 -3.870 -3.385 0.892 71 H CYS 10 HN CYS 10 -6.389 -3.785 -3.338 72 HA CYS 10 HA CYS 10 -6.547 -1.236 -2.049 73 1HB CYS 10 2HB CYS 10 -4.553 -1.079 -3.664 74 2HB CYS 10 3HB CYS 10 -5.727 -1.194 -4.961 75 H ILE 11 HN ILE 11 -8.607 -0.311 -2.465 76 HA ILE 11 HA ILE 11 -10.270 -1.854 -4.333 77 HB ILE 11 HB ILE 11 -12.147 -1.432 -2.870 78 1HG1 ILE 11 2HG1 ILE 11 -11.299 -0.583 -0.450 79 2HG1 ILE 11 3HG1 ILE 11 -10.207 0.333 -1.469 80 1HG2 ILE 11 1HG2 ILE 11 -10.096 -3.223 -2.432 81 2HG2 ILE 11 2HG2 ILE 11 -10.336 -2.489 -0.829 82 3HG2 ILE 11 3HG2 ILE 11 -11.703 -3.259 -1.668 83 1HD1 ILE 11 1HD1 ILE 11 -13.231 0.417 -1.376 84 2HD1 ILE 11 2HD1 ILE 11 -12.069 1.764 -1.325 85 3HD1 ILE 11 3HD1 ILE 11 -12.377 0.913 -2.858 86 H GLY 12 HN GLY 12 -8.691 1.080 -3.747 87 1HA GLY 12 1HA GLY 12 -8.904 2.648 -5.613 88 2HA GLY 12 2HA GLY 12 -10.643 2.523 -5.440 89 H CYS 13 HN CYS 13 -9.502 2.272 -2.315 90 HA CYS 13 HA CYS 13 -10.273 4.959 -1.746 91 1HB CYS 13 2HB CYS 13 -10.872 4.014 0.179 92 2HB CYS 13 3HB CYS 13 -10.151 2.497 -0.319 93 H THR 14 HN THR 14 -8.762 6.239 -0.119 94 HA THR 14 HA THR 14 -5.947 5.863 -0.867 95 HB THR 14 HB THR 14 -6.619 7.590 -2.374 96 HG1 THR 14 1HG THR 14 -4.951 8.052 -0.509 97 1HG2 THR 14 1HG2 THR 14 -7.857 9.663 -1.299 98 2HG2 THR 14 2HG2 THR 14 -8.827 8.244 -1.763 99 3HG2 THR 14 3HG2 THR 14 -8.375 8.494 -0.060 100 H GLN 15 HN GLN 15 -5.934 4.780 1.261 101 HA GLN 15 HA GLN 15 -5.968 6.789 3.377 102 1HB GLN 15 2HB GLN 15 -6.464 4.994 4.957 103 2HB GLN 15 3HB GLN 15 -7.639 4.955 3.658 104 1HG GLN 15 2HG GLN 15 -6.251 3.168 2.517 105 2HG GLN 15 3HG GLN 15 -5.177 3.164 3.901 106 1HE2 GLN 15 1HE2 GLN 15 -5.613 1.047 4.406 107 2HE2 GLN 15 2HE2 GLN 15 -7.101 0.513 5.113 108 H CYS 16 HN CYS 16 -4.300 3.842 2.095 109 HA CYS 16 HA CYS 16 -2.063 4.288 3.835 110 1HB CYS 16 2HB CYS 16 -1.177 2.265 2.980 111 2HB CYS 16 3HB CYS 16 -2.902 2.003 3.136 112 H VAL 17 HN VAL 17 -3.144 6.159 1.497 113 HA VAL 17 HA VAL 17 -0.518 6.474 0.215 114 HB VAL 17 HB VAL 17 -3.213 7.189 -0.949 115 1HG1 VAL 17 1HG1 VAL 17 -2.032 8.269 -2.500 116 2HG1 VAL 17 2HG1 VAL 17 -0.516 7.831 -1.675 117 3HG1 VAL 17 3HG1 VAL 17 -1.200 6.753 -2.917 118 1HG2 VAL 17 1HG2 VAL 17 -2.299 4.609 -0.548 119 2HG2 VAL 17 2HG2 VAL 17 -3.489 5.118 -1.770 120 3HG2 VAL 17 3HG2 VAL 17 -1.771 4.967 -2.211 121 H ARG 18 HN ARG 18 -2.237 7.581 2.708 122 HA ARG 18 HA ARG 18 -1.417 10.310 2.149 123 1HB ARG 18 2HB ARG 18 -4.116 9.326 2.756 124 2HB ARG 18 3HB ARG 18 -3.595 10.477 3.971 125 1HG ARG 18 2HG ARG 18 -4.663 11.754 2.223 126 2HG ARG 18 3HG ARG 18 -2.943 12.067 2.093 127 1HD ARG 18 2HD ARG 18 -3.362 9.773 0.484 128 2HD ARG 18 3HD ARG 18 -4.745 10.799 0.152 129 HE ARG 18 HE ARG 18 -2.156 12.205 0.137 130 1HH1 ARG 18 1HH1 ARG 18 -2.289 12.697 -3.315 131 2HH1 ARG 18 2HH1 ARG 18 -1.483 13.126 -1.842 132 1HH2 ARG 18 1HH2 ARG 18 -4.052 11.188 -3.276 133 2HH2 ARG 18 2HH2 ARG 18 -4.561 10.490 -1.775 134 H ALA 19 HN ALA 19 -2.704 8.136 4.781 135 HA ALA 19 HA ALA 19 -1.737 9.356 6.966 136 1HB ALA 19 1HB ALA 19 -1.834 7.218 8.036 137 2HB ALA 19 2HB ALA 19 -3.060 7.184 6.745 138 3HB ALA 19 3HB ALA 19 -1.497 6.363 6.512 139 H CYS 20 HN CYS 20 0.122 7.025 4.888 140 HA CYS 20 HA CYS 20 2.446 6.934 6.204 141 1HB CYS 20 2HB CYS 20 2.137 5.682 4.181 142 2HB CYS 20 3HB CYS 20 1.986 7.138 3.217 143 HA PRO 21 HA PRO 21 3.453 11.243 6.264 144 1HB PRO 21 2HB PRO 21 5.375 11.103 8.201 145 2HB PRO 21 3HB PRO 21 3.669 11.294 8.556 146 1HG PRO 21 2HG PRO 21 5.360 8.886 8.829 147 2HG PRO 21 3HG PRO 21 3.802 9.221 9.558 148 1HD PRO 21 2HD PRO 21 4.314 7.506 7.316 149 2HD PRO 21 3HD PRO 21 2.747 7.934 7.972 150 H LEU 22 HN LEU 22 5.875 8.704 6.177 151 HA LEU 22 HA LEU 22 7.935 10.289 5.198 152 1HB LEU 22 2HB LEU 22 7.545 7.644 5.910 153 2HB LEU 22 3HB LEU 22 7.901 7.547 4.196 154 HG LEU 22 HG LEU 22 9.824 9.317 5.211 155 1HD1 LEU 22 1HD1 LEU 22 10.875 8.062 7.045 156 2HD1 LEU 22 2HD1 LEU 22 9.267 8.680 7.490 157 3HD1 LEU 22 3HD1 LEU 22 9.479 6.960 7.084 158 1HD2 LEU 22 1HD2 LEU 22 9.682 6.691 3.948 159 2HD2 LEU 22 2HD2 LEU 22 10.828 8.029 3.695 160 3HD2 LEU 22 3HD2 LEU 22 11.096 6.866 5.016 161 H ASP 23 HN ASP 23 5.112 8.797 3.617 162 HA ASP 23 HA ASP 23 4.211 9.207 1.676 163 1HB ASP 23 2HB ASP 23 5.249 11.571 1.999 164 2HB ASP 23 3HB ASP 23 6.530 11.038 0.930 165 H VAL 24 HN VAL 24 5.294 6.866 1.639 166 HA VAL 24 HA VAL 24 7.274 6.782 -0.531 167 HB VAL 24 HB VAL 24 7.995 5.940 1.693 168 1HG1 VAL 24 1HG1 VAL 24 6.087 3.631 1.270 169 2HG1 VAL 24 2HG1 VAL 24 7.058 4.025 2.708 170 3HG1 VAL 24 3HG1 VAL 24 5.666 5.043 2.268 171 1HG2 VAL 24 1HG2 VAL 24 8.804 5.077 -0.594 172 2HG2 VAL 24 2HG2 VAL 24 9.153 4.082 0.839 173 3HG2 VAL 24 3HG2 VAL 24 7.820 3.633 -0.251 174 H LEU 25 HN LEU 25 4.321 5.234 0.878 175 HA LEU 25 HA LEU 25 3.836 3.390 -1.074 176 1HB LEU 25 2HB LEU 25 2.018 5.035 0.667 177 2HB LEU 25 3HB LEU 25 1.378 3.858 -0.463 178 HG LEU 25 HG LEU 25 3.281 2.380 0.870 179 1HD1 LEU 25 1HD1 LEU 25 3.647 4.277 2.437 180 2HD1 LEU 25 2HD1 LEU 25 1.949 4.132 2.951 181 3HD1 LEU 25 3HD1 LEU 25 3.082 2.788 3.231 182 1HD2 LEU 25 1HD2 LEU 25 1.479 1.161 1.751 183 2HD2 LEU 25 2HD2 LEU 25 0.429 2.596 1.832 184 3HD2 LEU 25 3HD2 LEU 25 0.851 1.890 0.254 185 H GLU 26 HN GLU 26 4.082 3.764 -3.228 186 HA GLU 26 HA GLU 26 2.682 6.111 -4.251 187 1HB GLU 26 2HB GLU 26 5.082 4.681 -5.475 188 2HB GLU 26 3HB GLU 26 4.305 6.112 -6.120 189 1HG GLU 26 2HG GLU 26 4.887 6.713 -3.392 190 2HG GLU 26 3HG GLU 26 6.315 5.912 -4.018 191 H MET 27 HN MET 27 2.733 5.419 -7.009 192 HA MET 27 HA MET 27 0.779 3.292 -6.941 193 1HB MET 27 2HB MET 27 0.287 4.136 -9.288 194 2HB MET 27 3HB MET 27 0.136 5.386 -8.069 195 1HG MET 27 2HG MET 27 1.830 6.617 -8.976 196 2HG MET 27 3HG MET 27 2.893 5.227 -9.071 197 1HE MET 27 1HE MET 27 0.627 7.547 -10.389 198 2HE MET 27 2HE MET 27 1.547 7.719 -11.903 199 3HE MET 27 3HE MET 27 -0.061 6.955 -11.920 200 H VAL 28 HN VAL 28 1.042 1.298 -7.934 201 HA VAL 28 HA VAL 28 3.512 0.957 -9.488 202 HB VAL 28 HB VAL 28 4.099 -0.930 -8.343 203 1HG1 VAL 28 1HG1 VAL 28 3.948 -0.492 -5.932 204 2HG1 VAL 28 2HG1 VAL 28 4.276 1.005 -6.838 205 3HG1 VAL 28 3HG1 VAL 28 2.639 0.679 -6.219 206 1HG2 VAL 28 1HG2 VAL 28 1.921 -2.080 -8.654 207 2HG2 VAL 28 2HG2 VAL 28 2.627 -2.359 -7.043 208 3HG2 VAL 28 3HG2 VAL 28 1.284 -1.207 -7.239 209 HA PRO 29 HA PRO 29 1.018 -1.082 -12.374 210 1HB PRO 29 2HB PRO 29 2.529 -3.177 -13.264 211 2HB PRO 29 3HB PRO 29 2.782 -1.524 -13.786 212 1HG PRO 29 2HG PRO 29 4.384 -3.135 -11.897 213 2HG PRO 29 3HG PRO 29 4.835 -1.671 -12.747 214 1HD PRO 29 2HD PRO 29 4.093 -1.892 -9.985 215 2HD PRO 29 3HD PRO 29 4.431 -0.415 -10.864 216 H TRP 30 HN TRP 30 -0.906 -1.954 -11.976 217 HA TRP 30 HA TRP 30 -0.779 -4.580 -10.659 218 1HB TRP 30 2HB TRP 30 -1.489 -2.976 -9.017 219 2HB TRP 30 3HB TRP 30 -2.679 -2.297 -10.110 220 HD1 TRP 30 HD1 TRP 30 -5.026 -3.035 -9.241 221 HE1 TRP 30 HE1 TRP 30 -6.209 -5.211 -8.332 222 HE3 TRP 30 HE3 TRP 30 -0.866 -5.959 -9.309 223 HZ2 TRP 30 HZ2 TRP 30 -5.293 -7.852 -7.756 224 HZ3 TRP 30 HZ3 TRP 30 -1.097 -8.324 -8.556 225 HH2 TRP 30 HH2 TRP 30 -3.215 -9.280 -7.799 226 H ASP 31 HN ASP 31 -3.941 -3.442 -11.255 227 HA ASP 31 HA ASP 31 -4.316 -3.605 -13.905 228 1HB ASP 31 2HB ASP 31 -3.379 -6.105 -13.093 229 2HB ASP 31 3HB ASP 31 -5.115 -6.340 -13.068 230 H GLY 32 HN GLY 32 -5.467 -5.329 -10.903 231 1HA GLY 32 1HA GLY 32 -8.204 -5.184 -11.391 232 2HA GLY 32 2HA GLY 32 -7.435 -5.321 -9.822 233 H CYS 33 HN CYS 33 -5.953 -2.625 -10.836 234 HA CYS 33 HA CYS 33 -7.786 -0.945 -9.418 235 1HB CYS 33 2HB CYS 33 -4.965 -0.857 -10.200 236 2HB CYS 33 3HB CYS 33 -5.765 0.687 -10.422 237 HG CYS 33 HG CYS 33 -6.539 -1.028 -7.764 238 H LYS 34 HN LYS 34 -8.626 1.116 -10.363 239 HA LYS 34 HA LYS 34 -9.885 0.708 -12.799 240 1HB LYS 34 2HB LYS 34 -10.061 2.507 -10.705 241 2HB LYS 34 3HB LYS 34 -9.522 3.519 -12.030 242 1HG LYS 34 2HG LYS 34 -11.381 2.419 -13.452 243 2HG LYS 34 3HG LYS 34 -11.991 1.732 -11.959 244 1HD LYS 34 2HD LYS 34 -13.216 3.687 -11.922 245 2HD LYS 34 3HD LYS 34 -11.776 4.298 -11.133 246 1HE LYS 34 2HE LYS 34 -10.899 5.005 -13.416 247 2HE LYS 34 3HE LYS 34 -12.434 4.522 -14.107 248 1HZ LYS 34 1HZ LYS 34 -13.409 6.329 -13.305 249 2HZ LYS 34 2HZ LYS 34 -12.695 6.230 -11.840 250 3HZ LYS 34 3HZ LYS 34 -11.907 6.932 -13.086 251 H ALA 35 HN ALA 35 -6.667 1.906 -11.998 252 HA ALA 35 HA ALA 35 -6.288 2.537 -14.846 253 1HB ALA 35 1HB ALA 35 -5.706 4.565 -14.024 254 2HB ALA 35 2HB ALA 35 -5.577 3.953 -12.358 255 3HB ALA 35 3HB ALA 35 -4.213 3.760 -13.486 256 H GLY 36 HN GLY 36 -6.166 -0.088 -13.284 257 1HA GLY 36 1HA GLY 36 -4.817 -1.878 -13.085 258 2HA GLY 36 2HA GLY 36 -4.063 -1.294 -14.556 259 H GLN 37 HN GLN 37 -4.111 0.395 -11.372 260 HA GLN 37 HA GLN 37 -1.337 -0.325 -11.005 261 1HB GLN 37 2HB GLN 37 -0.758 2.104 -10.563 262 2HB GLN 37 3HB GLN 37 -1.089 1.725 -12.240 263 1HG GLN 37 2HG GLN 37 -2.684 3.333 -12.255 264 2HG GLN 37 3HG GLN 37 -3.616 2.382 -11.115 265 1HE2 GLN 37 1HE2 GLN 37 -3.820 3.010 -9.060 266 2HE2 GLN 37 2HE2 GLN 37 -3.089 4.411 -8.353 267 H ILE 38 HN ILE 38 -1.095 -0.983 -8.916 268 HA ILE 38 HA ILE 38 -3.125 -0.116 -7.009 269 HB ILE 38 HB ILE 38 -2.570 -2.554 -7.500 270 1HG1 ILE 38 2HG1 ILE 38 -2.351 -2.741 -4.728 271 2HG1 ILE 38 3HG1 ILE 38 -3.107 -1.180 -4.978 272 1HG2 ILE 38 1HG2 ILE 38 -0.111 -1.795 -5.906 273 2HG2 ILE 38 2HG2 ILE 38 -0.681 -3.466 -6.132 274 3HG2 ILE 38 3HG2 ILE 38 -0.181 -2.497 -7.539 275 1HD1 ILE 38 1HD1 ILE 38 -4.807 -2.978 -4.821 276 2HD1 ILE 38 2HD1 ILE 38 -4.832 -2.223 -6.433 277 3HD1 ILE 38 3HD1 ILE 38 -4.059 -3.810 -6.204 278 H ALA 39 HN ALA 39 -2.615 0.923 -5.054 279 HA ALA 39 HA ALA 39 -0.210 2.473 -5.170 280 1HB ALA 39 1HB ALA 39 -2.717 2.358 -3.537 281 2HB ALA 39 2HB ALA 39 -1.290 3.121 -2.796 282 3HB ALA 39 3HB ALA 39 -1.936 3.745 -4.333 283 H SER 40 HN SER 40 1.701 1.489 -4.688 284 HA SER 40 HA SER 40 1.845 0.233 -2.103 285 1HB SER 40 2HB SER 40 2.533 -1.175 -4.708 286 2HB SER 40 3HB SER 40 3.250 -1.664 -3.186 287 HG SER 40 HG SER 40 1.419 -2.623 -2.609 288 H SER 41 HN SER 41 4.443 -0.578 -1.991 289 HA SER 41 HA SER 41 5.903 1.745 -2.984 290 1HB SER 41 2HB SER 41 6.154 0.266 -0.334 291 2HB SER 41 3HB SER 41 7.386 1.370 -0.915 292 HG SER 41 HG SER 41 5.202 2.006 0.459 293 HA PRO 42 HA PRO 42 8.059 -1.663 -4.839 294 1HB PRO 42 2HB PRO 42 9.208 -0.242 -6.872 295 2HB PRO 42 3HB PRO 42 7.621 -0.973 -6.992 296 1HG PRO 42 2HG PRO 42 8.324 1.874 -6.628 297 2HG PRO 42 3HG PRO 42 6.809 1.178 -7.169 298 1HD PRO 42 2HD PRO 42 7.376 2.246 -4.567 299 2HD PRO 42 3HD PRO 42 5.901 1.445 -5.073 300 H ARG 43 HN ARG 43 9.612 1.494 -4.516 301 HA ARG 43 HA ARG 43 12.043 0.070 -3.898 302 1HB ARG 43 2HB ARG 43 11.652 3.094 -4.082 303 2HB ARG 43 3HB ARG 43 13.165 2.217 -4.187 304 1HG ARG 43 2HG ARG 43 10.922 1.716 -6.180 305 2HG ARG 43 3HG ARG 43 12.055 3.032 -6.408 306 1HD ARG 43 2HD ARG 43 13.398 1.503 -7.439 307 2HD ARG 43 3HD ARG 43 13.758 0.901 -5.833 308 HE ARG 43 HE ARG 43 12.482 -1.000 -6.297 309 1HH1 ARG 43 1HH1 ARG 43 10.249 -1.691 -8.889 310 2HH1 ARG 43 2HH1 ARG 43 11.100 -2.341 -7.528 311 1HH2 ARG 43 1HH2 ARG 43 10.511 0.542 -9.463 312 2HH2 ARG 43 2HH2 ARG 43 11.558 1.559 -8.530 313 H THR 44 HN THR 44 11.289 -0.727 -1.772 314 HA THR 44 HA THR 44 10.698 1.294 0.231 315 HB THR 44 HB THR 44 10.866 -1.763 0.370 316 HG1 THR 44 1HG THR 44 8.748 0.236 -0.010 317 1HG2 THR 44 1HG2 THR 44 10.033 -1.613 2.513 318 2HG2 THR 44 2HG2 THR 44 10.709 0.033 2.492 319 3HG2 THR 44 3HG2 THR 44 8.993 -0.228 2.099 320 H GLU 45 HN GLU 45 13.377 1.188 -1.120 321 HA GLU 45 HA GLU 45 15.268 0.009 0.422 322 1HB GLU 45 2HB GLU 45 16.833 1.588 -0.534 323 2HB GLU 45 3HB GLU 45 15.619 1.242 -1.750 324 1HG GLU 45 2HG GLU 45 14.475 3.339 -1.347 325 2HG GLU 45 3HG GLU 45 15.380 3.632 0.126 326 H ASP 46 HN ASP 46 13.124 2.637 1.242 327 HA ASP 46 HA ASP 46 14.366 2.751 3.826 328 1HB ASP 46 2HB ASP 46 14.274 5.041 1.874 329 2HB ASP 46 3HB ASP 46 13.936 5.414 3.553 330 H CYS 47 HN CYS 47 12.356 1.794 4.570 331 HA CYS 47 HA CYS 47 10.324 3.590 5.180 332 1HB CYS 47 2HB CYS 47 9.291 3.647 3.150 333 2HB CYS 47 3HB CYS 47 9.943 2.104 2.635 334 H VAL 48 HN VAL 48 8.405 2.281 6.211 335 HA VAL 48 HA VAL 48 7.604 0.450 7.271 336 HB VAL 48 HB VAL 48 9.391 -0.783 5.674 337 1HG1 VAL 48 1HG1 VAL 48 11.056 -0.328 7.700 338 2HG1 VAL 48 2HG1 VAL 48 10.313 -1.821 8.323 339 3HG1 VAL 48 3HG1 VAL 48 11.131 -1.825 6.742 340 1HG2 VAL 48 1HG2 VAL 48 8.143 -2.624 6.093 341 2HG2 VAL 48 2HG2 VAL 48 8.390 -2.524 7.852 342 3HG2 VAL 48 3HG2 VAL 48 7.168 -1.496 7.066 343 H GLY 49 HN GLY 49 10.760 1.943 7.813 344 1HA GLY 49 1HA GLY 49 11.193 1.167 10.472 345 2HA GLY 49 2HA GLY 49 11.816 2.602 9.684 346 H CYS 50 HN CYS 50 8.638 3.027 9.109 347 HA CYS 50 HA CYS 50 8.146 4.218 11.741 348 1HB CYS 50 2HB CYS 50 7.833 6.256 10.873 349 2HB CYS 50 3HB CYS 50 8.622 5.658 9.426 350 H LYS 51 HN LYS 51 6.339 3.316 12.667 351 HA LYS 51 HA LYS 51 4.571 1.780 10.958 352 1HB LYS 51 2HB LYS 51 3.702 0.869 13.036 353 2HB LYS 51 3HB LYS 51 5.451 0.761 13.007 354 1HG LYS 51 2HG LYS 51 4.939 3.290 14.158 355 2HG LYS 51 3HG LYS 51 3.711 2.249 14.850 356 1HD LYS 51 2HD LYS 51 5.365 0.703 15.711 357 2HD LYS 51 3HD LYS 51 6.646 1.432 14.762 358 1HE LYS 51 2HE LYS 51 5.331 3.435 16.460 359 2HE LYS 51 3HE LYS 51 5.917 2.090 17.419 360 1HZ LYS 51 1HZ LYS 51 7.964 2.509 15.784 361 2HZ LYS 51 2HZ LYS 51 7.402 4.035 15.935 362 3HZ LYS 51 3HZ LYS 51 7.830 3.188 17.263 363 H ARG 52 HN ARG 52 4.000 3.992 9.914 364 HA ARG 52 HA ARG 52 2.015 5.315 11.564 365 1HB ARG 52 2HB ARG 52 3.502 6.177 9.040 366 2HB ARG 52 3HB ARG 52 2.140 7.082 9.670 367 1HG ARG 52 2HG ARG 52 4.251 6.398 11.673 368 2HG ARG 52 3HG ARG 52 4.748 7.514 10.417 369 1HD ARG 52 2HD ARG 52 3.768 9.151 11.663 370 2HD ARG 52 3HD ARG 52 2.229 8.498 11.136 371 HE ARG 52 HE ARG 52 3.216 6.987 13.389 372 1HH1 ARG 52 1HH1 ARG 52 1.316 8.685 15.774 373 2HH1 ARG 52 2HH1 ARG 52 2.259 7.269 15.444 374 1HH2 ARG 52 1HH2 ARG 52 1.024 10.293 14.127 375 2HH2 ARG 52 2HH2 ARG 52 1.748 10.079 12.568 376 H CYS 53 HN CYS 53 2.615 3.996 8.236 377 HA CYS 53 HA CYS 53 0.252 4.390 7.051 378 1HB CYS 53 2HB CYS 53 0.660 1.991 6.050 379 2HB CYS 53 3HB CYS 53 1.752 3.312 5.686 380 H GLU 54 HN GLU 54 0.989 1.248 8.741 381 HA GLU 54 HA GLU 54 -0.426 -0.259 9.519 382 1HB GLU 54 2HB GLU 54 -0.322 2.088 11.207 383 2HB GLU 54 3HB GLU 54 -1.902 1.348 11.379 384 1HG GLU 54 2HG GLU 54 -0.790 -0.875 11.794 385 2HG GLU 54 3HG GLU 54 0.775 -0.095 11.682 386 H THR 55 HN THR 55 -1.477 0.544 7.096 387 HA THR 55 HA THR 55 -4.349 0.450 7.671 388 HB THR 55 HB THR 55 -4.598 2.086 5.691 389 HG1 THR 55 1HG THR 55 -1.773 2.348 6.449 390 1HG2 THR 55 1HG2 THR 55 -3.235 3.968 7.249 391 2HG2 THR 55 2HG2 THR 55 -4.935 3.492 7.480 392 3HG2 THR 55 3HG2 THR 55 -3.652 2.706 8.433 393 H ALA 56 HN ALA 56 -2.547 0.742 4.572 394 HA ALA 56 HA ALA 56 -2.302 -0.672 2.886 395 1HB ALA 56 1HB ALA 56 -2.017 -3.004 3.301 396 2HB ALA 56 2HB ALA 56 -1.443 -2.179 4.770 397 3HB ALA 56 3HB ALA 56 -3.047 -2.949 4.751 398 H CYS 57 HN CYS 57 -4.982 -2.133 4.871 399 HA CYS 57 HA CYS 57 -7.054 -1.127 3.408 400 1HB CYS 57 2HB CYS 57 -5.658 -2.964 1.789 401 2HB CYS 57 3HB CYS 57 -7.082 -3.826 2.338 402 HA PRO 58 HA PRO 58 -8.966 -3.409 6.588 403 1HB PRO 58 2HB PRO 58 -11.575 -3.498 5.779 404 2HB PRO 58 3HB PRO 58 -10.852 -2.090 6.532 405 1HG PRO 58 2HG PRO 58 -11.534 -2.527 3.690 406 2HG PRO 58 3HG PRO 58 -11.219 -1.018 4.523 407 1HD PRO 58 2HD PRO 58 -9.432 -2.413 2.766 408 2HD PRO 58 3HD PRO 58 -9.077 -0.968 3.691 409 H THR 59 HN THR 59 -7.458 -5.126 5.292 410 HA THR 59 HA THR 59 -7.238 -7.283 4.803 411 HB THR 59 HB THR 59 -9.979 -7.822 6.001 412 HG1 THR 59 1HG THR 59 -7.454 -7.060 7.294 413 1HG2 THR 59 1HG2 THR 59 -7.541 -9.326 5.495 414 2HG2 THR 59 2HG2 THR 59 -7.809 -9.220 7.251 415 3HG2 THR 59 3HG2 THR 59 -9.070 -9.907 6.199 416 H ASP 60 HN ASP 60 -9.261 -9.261 4.108 417 HA ASP 60 HA ASP 60 -10.655 -9.825 2.493 418 1HB ASP 60 2HB ASP 60 -11.156 -7.141 2.456 419 2HB ASP 60 3HB ASP 60 -10.381 -7.298 0.893 420 H PHE 61 HN PHE 61 -7.953 -7.587 1.564 421 HA PHE 61 HA PHE 61 -7.335 -9.312 -0.703 422 1HB PHE 61 2HB PHE 61 -7.125 -6.477 0.069 423 2HB PHE 61 3HB PHE 61 -5.548 -7.069 -0.409 424 HD1 PHE 61 1HD PHE 61 -5.348 -8.206 -2.696 425 HD2 PHE 61 2HD PHE 61 -8.713 -5.889 -1.550 426 HE1 PHE 61 1HE PHE 61 -5.971 -7.917 -5.110 427 HE2 PHE 61 2HE PHE 61 -9.335 -5.598 -3.964 428 HZ PHE 61 HZ PHE 61 -7.956 -6.617 -5.716 429 H LEU 62 HN LEU 62 -5.599 -7.614 2.011 430 HA LEU 62 HA LEU 62 -3.260 -9.138 1.687 431 1HB LEU 62 2HB LEU 62 -4.253 -7.578 4.076 432 2HB LEU 62 3HB LEU 62 -2.617 -8.162 3.839 433 HG LEU 62 HG LEU 62 -3.651 -6.473 1.645 434 1HD1 LEU 62 1HD1 LEU 62 -3.985 -4.514 2.716 435 2HD1 LEU 62 2HD1 LEU 62 -4.438 -5.583 4.065 436 3HD1 LEU 62 3HD1 LEU 62 -2.804 -4.880 3.996 437 1HD2 LEU 62 1HD2 LEU 62 -1.436 -6.833 1.330 438 2HD2 LEU 62 2HD2 LEU 62 -1.307 -5.384 2.357 439 3HD2 LEU 62 3HD2 LEU 62 -1.097 -7.002 3.069 440 H SER 63 HN SER 63 -2.614 -11.089 2.516 441 HA SER 63 HA SER 63 -4.701 -12.589 3.812 442 1HB SER 63 2HB SER 63 -1.976 -13.389 2.700 443 2HB SER 63 3HB SER 63 -3.076 -14.518 3.465 444 HG SER 63 HG SER 63 -3.156 -14.302 1.027 445 H ILE 64 HN ILE 64 -3.566 -10.460 5.382 446 HA ILE 64 HA ILE 64 -2.280 -10.023 7.186 447 HB ILE 64 HB ILE 64 -4.393 -10.720 8.057 448 1HG1 ILE 64 2HG1 ILE 64 -3.111 -12.141 10.135 449 2HG1 ILE 64 3HG1 ILE 64 -1.900 -11.054 9.483 450 1HG2 ILE 64 1HG2 ILE 64 -4.997 -12.775 7.303 451 2HG2 ILE 64 2HG2 ILE 64 -3.363 -13.456 7.490 452 3HG2 ILE 64 3HG2 ILE 64 -4.408 -13.243 8.916 453 1HD1 ILE 64 1HD1 ILE 64 -4.586 -10.381 10.705 454 2HD1 ILE 64 2HD1 ILE 64 -2.984 -9.697 11.069 455 3HD1 ILE 64 3HD1 ILE 64 -3.823 -9.249 9.564 456 H ARG 65 HN ARG 65 -0.162 -10.398 6.261 457 HA ARG 65 HA ARG 65 0.911 -13.023 6.780 458 1HB ARG 65 2HB ARG 65 1.310 -11.157 4.729 459 2HB ARG 65 3HB ARG 65 2.754 -10.961 5.702 460 1HG ARG 65 2HG ARG 65 2.413 -13.757 5.564 461 2HG ARG 65 3HG ARG 65 1.967 -13.204 3.962 462 1HD ARG 65 2HD ARG 65 4.107 -12.456 3.464 463 2HD ARG 65 3HD ARG 65 4.435 -11.955 5.111 464 HE ARG 65 HE ARG 65 4.212 -14.867 4.775 465 1HH1 ARG 65 1HH1 ARG 65 7.633 -15.341 5.272 466 2HH1 ARG 65 2HH1 ARG 65 6.087 -16.115 5.160 467 1HH2 ARG 65 1HH2 ARG 65 7.799 -13.039 5.031 468 2HH2 ARG 65 2HH2 ARG 65 6.377 -12.093 4.740 469 H VAL 66 HN VAL 66 0.200 -10.927 8.908 470 HA VAL 66 HA VAL 66 1.119 -9.836 10.635 471 HB VAL 66 HB VAL 66 2.676 -11.355 11.935 472 1HG1 VAL 66 1HG1 VAL 66 0.910 -12.727 12.652 473 2HG1 VAL 66 2HG1 VAL 66 0.098 -11.294 11.977 474 3HG1 VAL 66 3HG1 VAL 66 0.182 -12.798 11.029 475 1HG2 VAL 66 1HG2 VAL 66 2.918 -13.666 11.138 476 2HG2 VAL 66 2HG2 VAL 66 2.127 -13.225 9.605 477 3HG2 VAL 66 3HG2 VAL 66 3.703 -12.514 10.031 478 H TYR 67 HN TYR 67 2.078 -8.017 9.599 479 HA TYR 67 HA TYR 67 4.978 -8.302 9.180 480 1HB TYR 67 2HB TYR 67 2.710 -6.637 7.960 481 2HB TYR 67 3HB TYR 67 4.367 -6.087 7.801 482 HD1 TYR 67 HD1 TYR 67 1.941 -7.507 5.956 483 HD2 TYR 67 HD2 TYR 67 5.941 -8.398 7.183 484 HE1 TYR 67 HE1 TYR 67 2.245 -8.990 3.913 485 HE2 TYR 67 HE2 TYR 67 6.231 -9.878 5.137 486 HH TYR 67 HH TYR 67 3.977 -9.855 2.562 487 H LEU 68 HN LEU 68 2.663 -5.550 9.693 488 HA LEU 68 HA LEU 68 4.415 -3.937 11.026 489 1HB LEU 68 2HB LEU 68 1.540 -4.124 10.620 490 2HB LEU 68 3HB LEU 68 1.939 -3.408 12.170 491 HG LEU 68 HG LEU 68 1.630 -1.702 10.462 492 1HD1 LEU 68 1HD1 LEU 68 3.944 -0.602 10.646 493 2HD1 LEU 68 2HD1 LEU 68 3.077 -0.990 12.152 494 3HD1 LEU 68 3HD1 LEU 68 4.403 -2.038 11.594 495 1HD2 LEU 68 1HD2 LEU 68 3.001 -1.489 8.515 496 2HD2 LEU 68 2HD2 LEU 68 4.019 -2.863 9.010 497 3HD2 LEU 68 3HD2 LEU 68 2.325 -3.135 8.533 498 H GLY 69 HN GLY 69 5.292 -3.815 13.050 499 1HA GLY 69 1HA GLY 69 6.029 -4.720 14.999 500 2HA GLY 69 2HA GLY 69 4.345 -4.521 15.443 501 H ALA 70 HN ALA 70 6.216 -6.821 13.324 502 HA ALA 70 HA ALA 70 5.337 -9.011 15.008 503 1HB ALA 70 1HB ALA 70 4.870 -9.507 12.127 504 2HB ALA 70 2HB ALA 70 3.895 -9.973 13.542 505 3HB ALA 70 3HB ALA 70 3.757 -8.331 12.866 506 H GLU 71 HN GLU 71 7.062 -7.855 12.051 507 HA GLU 71 HA GLU 71 8.656 -10.057 11.714 508 1HB GLU 71 2HB GLU 71 9.500 -7.176 11.197 509 2HB GLU 71 3HB GLU 71 10.084 -8.608 10.374 510 1HG GLU 71 2HG GLU 71 7.174 -8.518 10.225 511 2HG GLU 71 3HG GLU 71 7.836 -6.994 9.670 512 H THR 72 HN THR 72 11.362 -8.923 11.789 513 HA THR 72 HA THR 72 13.112 -9.055 13.168 514 HB THR 72 HB THR 72 12.175 -6.695 13.504 515 HG1 THR 72 1HG THR 72 14.184 -7.770 14.502 516 1HG2 THR 72 1HG2 THR 72 10.215 -6.869 14.831 517 2HG2 THR 72 2HG2 THR 72 10.910 -8.152 15.851 518 3HG2 THR 72 3HG2 THR 72 11.449 -6.467 16.049 519 H THR 73 HN THR 73 10.781 -11.031 13.530 520 HA THR 73 HA THR 73 11.583 -11.901 16.230 521 HB THR 73 HB THR 73 9.135 -11.112 15.814 522 HG1 THR 73 1HG THR 73 9.971 -12.598 17.530 523 1HG2 THR 73 1HG2 THR 73 8.612 -13.892 14.826 524 2HG2 THR 73 2HG2 THR 73 7.715 -12.389 14.499 525 3HG2 THR 73 3HG2 THR 73 9.211 -12.745 13.603 526 H ARG 74 HN ARG 74 11.121 -12.711 12.805 527 HA ARG 74 HA ARG 74 11.432 -15.457 13.151 528 1HB ARG 74 2HB ARG 74 12.181 -13.810 10.686 529 2HB ARG 74 3HB ARG 74 11.762 -15.511 10.713 530 1HG ARG 74 2HG ARG 74 9.918 -13.161 11.336 531 2HG ARG 74 3HG ARG 74 9.811 -14.246 9.964 532 1HD ARG 74 2HD ARG 74 9.482 -15.105 12.882 533 2HD ARG 74 3HD ARG 74 8.155 -14.798 11.780 534 HE ARG 74 HE ARG 74 9.926 -17.140 11.778 535 1HH1 ARG 74 1HH1 ARG 74 8.285 -18.585 9.059 536 2HH1 ARG 74 2HH1 ARG 74 9.421 -18.842 10.340 537 1HH2 ARG 74 1HH2 ARG 74 7.275 -16.510 8.803 538 2HH2 ARG 74 2HH2 ARG 74 7.658 -15.221 9.893 539 H SER 75 HN SER 75 13.685 -12.710 12.802 540 HA SER 75 HA SER 75 15.857 -14.611 13.186 541 1HB SER 75 2HB SER 75 15.445 -12.904 10.921 542 2HB SER 75 3HB SER 75 16.798 -12.239 11.813 543 HG SER 75 HG SER 75 16.747 -14.431 10.205 544 H MET 76 HN MET 76 14.035 -12.477 14.731 545 HA MET 76 HA MET 76 14.280 -11.207 16.480 546 1HB MET 76 2HB MET 76 15.849 -12.818 17.415 547 2HB MET 76 3HB MET 76 17.128 -12.311 16.332 548 1HG MET 76 2HG MET 76 17.485 -10.260 17.508 549 2HG MET 76 3HG MET 76 15.923 -10.331 18.298 550 1HE MET 76 1HE MET 76 16.054 -12.041 21.215 551 2HE MET 76 2HE MET 76 15.148 -11.942 19.686 552 3HE MET 76 3HE MET 76 15.984 -13.450 20.129 553 H GLY 77 HN GLY 77 17.365 -10.848 14.575 554 1HA GLY 77 1HA GLY 77 16.753 -8.291 13.600 555 2HA GLY 77 2HA GLY 77 17.678 -8.103 15.076 556 H LEU 78 HN LEU 78 17.881 -10.738 12.601 557 HA LEU 78 HA LEU 78 20.699 -9.996 12.263 558 1HB LEU 78 2HB LEU 78 20.838 -12.117 13.015 559 2HB LEU 78 3HB LEU 78 19.239 -12.558 12.449 560 HG LEU 78 HG LEU 78 21.124 -13.778 11.352 561 1HD1 LEU 78 1HD1 LEU 78 18.793 -12.639 10.188 562 2HD1 LEU 78 2HD1 LEU 78 20.084 -12.611 8.963 563 3HD1 LEU 78 3HD1 LEU 78 19.638 -14.144 9.750 564 1HD2 LEU 78 1HD2 LEU 78 21.993 -11.035 10.793 565 2HD2 LEU 78 2HD2 LEU 78 22.918 -12.555 10.825 566 3HD2 LEU 78 3HD2 LEU 78 22.008 -12.098 9.365 567 H ALA 79 HN ALA 79 17.602 -10.733 10.622 568 HA ALA 79 HA ALA 79 18.514 -9.246 8.338 569 1HB ALA 79 1HB ALA 79 19.431 -11.299 7.606 570 2HB ALA 79 2HB ALA 79 18.070 -12.242 8.259 571 3HB ALA 79 3HB ALA 79 17.839 -11.229 6.813 572 H TYR 80 HN TYR 80 16.026 -11.597 9.562 573 HA TYR 80 HA TYR 80 13.936 -10.177 8.205 574 1HB TYR 80 2HB TYR 80 13.647 -12.173 10.500 575 2HB TYR 80 3HB TYR 80 12.641 -12.032 9.071 576 HD1 TYR 80 HD1 TYR 80 15.094 -11.908 7.110 577 HD2 TYR 80 HD2 TYR 80 13.975 -14.560 10.276 578 HE1 TYR 80 HE1 TYR 80 16.402 -13.788 6.007 579 HE2 TYR 80 HE2 TYR 80 15.287 -16.431 9.161 580 HH TYR 80 HH TYR 80 16.305 -17.064 7.322
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