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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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12624 |
1t8v ![]() ![]() |
cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 1H ALA 1 14.314 -11.461 8.400 2 2H ALA 1 2H ALA 1 15.129 -12.174 7.093 3 3H ALA 1 3H ALA 1 13.686 -12.856 7.665 4 HA ALA 1 HA ALA 1 12.657 -10.591 7.109 5 1HB ALA 1 1HB ALA 1 15.303 -10.519 5.740 6 2HB ALA 1 2HB ALA 1 13.905 -9.814 4.928 7 3HB ALA 1 3HB ALA 1 14.397 -9.219 6.514 8 H PHE 2 H PHE 2 11.011 -11.021 5.740 9 HA PHE 2 HA PHE 2 10.927 -13.556 4.424 10 1HB PHE 2 1HB PHE 2 8.881 -12.728 5.356 11 HD1 PHE 2 HD1 PHE 2 8.977 -14.867 3.646 12 HD2 PHE 2 HD2 PHE 2 7.569 -10.953 2.743 13 HE1 PHE 2 HE1 PHE 2 7.610 -15.783 1.814 14 HE2 PHE 2 HE2 PHE 2 6.200 -11.862 0.914 15 HZ PHE 2 HZ PHE 2 6.220 -14.276 0.443 16 H ASP 3 H ASP 3 11.437 -10.233 3.453 17 HA ASP 3 HA ASP 3 12.202 -11.211 0.816 18 1HB ASP 3 1HB ASP 3 9.832 -10.138 0.905 19 H GLY 4 H GLY 4 12.016 -8.404 2.957 20 1HA GLY 4 1HA GLY 4 14.747 -7.954 3.090 21 2HA GLY 4 2HA GLY 4 14.141 -7.003 1.723 22 H THR 5 H THR 5 14.993 -5.295 3.031 23 HA THR 5 HA THR 5 12.841 -3.823 3.957 24 HB THR 5 HB THR 5 13.402 -4.718 6.208 25 HG1 THR 5 HG1 THR 5 13.104 -2.301 5.434 26 1HG2 THR 5 1HG2 THR 5 15.915 -5.036 5.545 27 2HG2 THR 5 2HG2 THR 5 15.501 -4.591 7.200 28 3HG2 THR 5 3HG2 THR 5 16.073 -3.361 6.073 29 H TRP 6 H TRP 6 13.237 -1.815 3.411 30 HA TRP 6 HA TRP 6 15.781 -1.086 2.330 31 1HB TRP 6 1HB TRP 6 14.265 -1.166 0.078 32 HD1 TRP 6 HD1 TRP 6 14.956 -4.554 -0.277 33 HE1 TRP 6 HE1 TRP 6 12.874 -6.010 -0.406 34 HE3 TRP 6 HE3 TRP 6 11.670 -1.483 2.179 35 HZ2 TRP 6 HZ2 TRP 6 10.201 -5.890 0.381 36 HZ3 TRP 6 HZ3 TRP 6 9.346 -2.257 2.406 37 HH2 TRP 6 HH2 TRP 6 8.638 -4.422 1.559 38 H LYS 7 H LYS 7 15.498 1.265 2.177 39 HA LYS 7 HA LYS 7 12.763 2.057 2.696 40 1HB LYS 7 1HB LYS 7 13.731 2.751 5.069 41 1HG LYS 7 1HG LYS 7 14.771 0.767 6.073 42 1HD LYS 7 1HD LYS 7 16.436 2.111 3.944 43 1HE LYS 7 1HE LYS 7 17.282 0.569 6.396 44 1HZ LYS 7 1HZ LYS 7 18.977 1.933 4.378 45 2HZ LYS 7 2HZ LYS 7 19.507 1.102 5.761 46 3HZ LYS 7 3HZ LYS 7 18.645 2.554 5.922 47 H VAL 8 H VAL 8 12.442 3.972 2.070 48 HA VAL 8 HA VAL 8 13.855 6.182 3.046 49 HB VAL 8 HB VAL 8 14.095 6.873 0.395 50 1HG1 VAL 8 1HG1 VAL 8 15.896 6.387 2.580 51 2HG1 VAL 8 2HG1 VAL 8 16.635 6.033 1.014 52 3HG1 VAL 8 3HG1 VAL 8 15.915 7.624 1.297 53 1HG2 VAL 8 1HG2 VAL 8 15.589 4.350 0.312 54 2HG2 VAL 8 2HG2 VAL 8 13.835 4.214 0.206 55 3HG2 VAL 8 3HG2 VAL 8 14.702 5.222 -0.960 56 H ASP 9 H ASP 9 12.356 5.277 0.143 57 HA ASP 9 HA ASP 9 10.692 7.642 0.379 58 1HB ASP 9 1HB ASP 9 12.360 6.417 -1.762 59 H ARG 10 H ARG 10 9.357 7.344 -1.955 60 HA ARG 10 HA ARG 10 7.572 5.148 -2.006 61 1HB ARG 10 1HB ARG 10 5.659 6.125 -0.912 62 1HG ARG 10 1HG ARG 10 7.318 8.441 0.000 63 1HD ARG 10 1HD ARG 10 5.004 9.444 0.252 64 HE ARG 10 HE ARG 10 5.873 8.776 2.323 65 1HH1 ARG 10 1HH1 ARG 10 4.135 6.161 0.754 66 2HH1 ARG 10 2HH1 ARG 10 4.071 5.185 2.181 67 1HH2 ARG 10 1HH2 ARG 10 5.790 7.485 4.208 68 2HH2 ARG 10 2HH2 ARG 10 5.004 5.936 4.147 69 H ASN 11 H ASN 11 5.427 6.641 -3.173 70 HA ASN 11 HA ASN 11 7.050 7.822 -5.272 71 1HB ASN 11 1HB ASN 11 5.484 7.006 -6.641 72 1HD2 ASN 11 1HD2 ASN 11 3.861 9.024 -4.285 73 2HD2 ASN 11 2HD2 ASN 11 2.528 9.436 -5.339 74 H GLU 12 H GLU 12 6.126 9.971 -6.151 75 HA GLU 12 HA GLU 12 5.552 11.542 -3.739 76 1HB GLU 12 1HB GLU 12 6.417 12.470 -6.471 77 1HG GLU 12 1HG GLU 12 7.886 13.890 -4.775 78 H ASN 13 H ASN 13 3.730 11.788 -3.396 79 HA ASN 13 HA ASN 13 1.604 12.120 -5.271 80 1HB ASN 13 1HB ASN 13 1.820 12.426 -2.274 81 1HD2 ASN 13 1HD2 ASN 13 0.397 10.611 -4.902 82 2HD2 ASN 13 2HD2 ASN 13 0.198 9.129 -4.006 83 H TYR 14 H TYR 14 3.781 13.510 -3.095 84 HA TYR 14 HA TYR 14 3.509 16.187 -3.397 85 1HB TYR 14 1HB TYR 14 5.214 15.164 -1.944 86 HD1 TYR 14 HD1 TYR 14 8.159 15.127 -3.398 87 HD2 TYR 14 HD2 TYR 14 5.003 17.929 -2.927 88 HE1 TYR 14 HE1 TYR 14 9.758 16.979 -3.682 89 HE2 TYR 14 HE2 TYR 14 6.571 19.776 -3.226 90 HH TYR 14 HH TYR 14 8.661 20.320 -3.947 91 H GLU 15 H GLU 15 3.851 13.934 -5.908 92 HA GLU 15 HA GLU 15 4.763 16.077 -7.631 93 1HB GLU 15 1HB GLU 15 6.029 14.695 -9.018 94 1HG GLU 15 1HG GLU 15 5.116 12.212 -7.592 95 H LYS 16 H LYS 16 2.983 13.168 -7.359 96 HA LYS 16 HA LYS 16 1.546 13.422 -9.787 97 1HB LYS 16 1HB LYS 16 0.083 12.613 -7.338 98 1HG LYS 16 1HG LYS 16 2.384 10.953 -8.199 99 1HD LYS 16 1HD LYS 16 1.605 9.781 -6.076 100 1HE LYS 16 1HE LYS 16 0.182 9.512 -8.714 101 1HZ LYS 16 1HZ LYS 16 0.521 7.382 -6.708 102 2HZ LYS 16 2HZ LYS 16 -0.481 7.394 -8.074 103 3HZ LYS 16 3HZ LYS 16 -0.862 8.360 -6.731 104 H PHE 17 H PHE 17 0.805 14.330 -6.589 105 HA PHE 17 HA PHE 17 -1.614 15.681 -7.478 106 1HB PHE 17 1HB PHE 17 -0.278 15.914 -4.794 107 HD1 PHE 17 HD1 PHE 17 0.128 13.246 -6.175 108 HD2 PHE 17 HD2 PHE 17 -3.059 14.635 -3.728 109 HE1 PHE 17 HE1 PHE 17 -0.536 10.984 -5.808 110 HE2 PHE 17 HE2 PHE 17 -3.682 12.293 -3.256 111 HZ PHE 17 HZ PHE 17 -2.381 10.454 -4.303 112 H MET 18 H MET 18 1.672 16.128 -7.061 113 HA MET 18 HA MET 18 1.593 18.940 -6.642 114 1HB MET 18 1HB MET 18 3.558 17.965 -5.980 115 1HG MET 18 1HG MET 18 4.013 18.629 -8.908 116 1HE MET 18 1HE MET 18 6.370 20.267 -8.890 117 2HE MET 18 2HE MET 18 7.871 19.358 -8.746 118 3HE MET 18 3HE MET 18 6.663 18.877 -9.936 119 H GLU 19 H GLU 19 1.833 16.778 -9.277 120 HA GLU 19 HA GLU 19 2.249 18.866 -11.173 121 1HB GLU 19 1HB GLU 19 1.657 15.925 -11.552 122 1HG GLU 19 1HG GLU 19 4.279 17.403 -11.288 123 H LYS 20 H LYS 20 -0.380 16.930 -9.922 124 HA LYS 20 HA LYS 20 -2.012 18.009 -12.101 125 1HB LYS 20 1HB LYS 20 -2.912 15.836 -12.652 126 1HG LYS 20 1HG LYS 20 -1.557 13.813 -11.784 127 1HD LYS 20 1HD LYS 20 -3.167 13.471 -9.890 128 1HE LYS 20 1HE LYS 20 -3.686 13.044 -12.370 129 1HZ LYS 20 1HZ LYS 20 -5.272 15.506 -11.908 130 2HZ LYS 20 2HZ LYS 20 -5.669 14.354 -13.089 131 3HZ LYS 20 3HZ LYS 20 -4.192 15.176 -13.180 132 H MET 21 H MET 21 -2.082 16.320 -9.067 133 HA MET 21 HA MET 21 -4.749 15.976 -8.759 134 1HB MET 21 1HB MET 21 -3.071 14.894 -7.442 135 1HG MET 21 1HG MET 21 -3.784 15.089 -5.224 136 1HE MET 21 1HE MET 21 -7.632 14.369 -4.959 137 2HE MET 21 2HE MET 21 -6.319 13.321 -4.423 138 3HE MET 21 3HE MET 21 -6.220 15.063 -4.163 139 H GLY 22 H GLY 22 -2.902 18.336 -6.934 140 1HA GLY 22 1HA GLY 22 -5.032 20.349 -7.207 141 2HA GLY 22 2HA GLY 22 -4.809 19.682 -5.589 142 H ILE 23 H ILE 23 -2.060 19.294 -5.885 143 HA ILE 23 HA ILE 23 -0.067 20.165 -5.565 144 HB ILE 23 HB ILE 23 0.811 21.420 -7.240 145 1HG1 ILE 23 1HG1 ILE 23 -1.760 22.995 -7.548 146 1HG2 ILE 23 1HG2 ILE 23 -1.852 20.729 -8.472 147 2HG2 ILE 23 2HG2 ILE 23 -0.290 20.831 -9.281 148 3HG2 ILE 23 3HG2 ILE 23 -0.594 19.536 -8.110 149 1HD1 ILE 23 1HD1 ILE 23 0.449 24.342 -8.656 150 2HD1 ILE 23 2HD1 ILE 23 0.440 22.707 -9.321 151 3HD1 ILE 23 3HD1 ILE 23 -0.988 23.730 -9.477 152 H ASN 24 H ASN 24 -1.933 23.239 -5.667 153 HA ASN 24 HA ASN 24 -1.888 25.035 -4.248 154 1HB ASN 24 1HB ASN 24 -3.349 23.087 -3.259 155 1HD2 ASN 24 1HD2 ASN 24 -4.973 24.426 -2.957 156 2HD2 ASN 24 2HD2 ASN 24 -4.994 25.759 -1.839 157 H VAL 25 H VAL 25 -1.039 24.521 -1.333 158 HA VAL 25 HA VAL 25 1.801 25.098 -1.727 159 HB VAL 25 HB VAL 25 1.779 25.676 0.734 160 1HG1 VAL 25 1HG1 VAL 25 1.773 27.643 -0.333 161 2HG1 VAL 25 2HG1 VAL 25 0.538 27.124 -1.482 162 3HG1 VAL 25 3HG1 VAL 25 0.067 27.711 0.113 163 1HG2 VAL 25 1HG2 VAL 25 -0.767 24.506 0.637 164 2HG2 VAL 25 2HG2 VAL 25 -0.016 25.337 2.001 165 3HG2 VAL 25 3HG2 VAL 25 -1.037 26.234 0.876 166 H VAL 26 H VAL 26 1.739 22.723 -2.382 167 HA VAL 26 HA VAL 26 2.111 20.517 -2.051 168 HB VAL 26 HB VAL 26 3.952 19.939 -0.484 169 1HG1 VAL 26 1HG1 VAL 26 5.613 21.566 -1.651 170 2HG1 VAL 26 2HG1 VAL 26 4.694 20.395 -2.602 171 3HG1 VAL 26 3HG1 VAL 26 4.179 22.082 -2.541 172 1HG2 VAL 26 1HG2 VAL 26 3.423 22.641 0.524 173 2HG2 VAL 26 2HG2 VAL 26 4.197 21.264 1.309 174 3HG2 VAL 26 3HG2 VAL 26 5.125 22.293 0.217 175 H LYS 27 H LYS 27 -0.259 21.207 -0.887 176 HA LYS 27 HA LYS 27 -0.542 20.315 1.784 177 1HB LYS 27 1HB LYS 27 -2.593 20.369 -0.440 178 1HG LYS 27 1HG LYS 27 -1.530 22.587 0.173 179 1HD LYS 27 1HD LYS 27 -1.418 22.106 2.620 180 1HE LYS 27 1HE LYS 27 -4.399 22.391 2.350 181 1HZ LYS 27 1HZ LYS 27 -4.607 22.885 4.558 182 2HZ LYS 27 2HZ LYS 27 -3.222 23.786 4.177 183 3HZ LYS 27 3HZ LYS 27 -3.067 22.295 4.968 184 H ARG 28 H ARG 28 -1.778 18.658 -1.145 185 HA ARG 28 HA ARG 28 -1.613 16.142 0.289 186 1HB ARG 28 1HB ARG 28 -3.336 17.086 -1.652 187 1HG ARG 28 1HG ARG 28 -3.951 15.353 -0.068 188 1HD ARG 28 1HD ARG 28 -2.195 13.547 -1.732 189 HE ARG 28 HE ARG 28 -4.390 12.870 -0.026 190 1HH1 ARG 28 1HH1 ARG 28 -1.188 11.861 -1.045 191 2HH1 ARG 28 2HH1 ARG 28 -1.421 10.203 -0.606 192 1HH2 ARG 28 1HH2 ARG 28 -4.700 10.687 0.546 193 2HH2 ARG 28 2HH2 ARG 28 -3.440 9.527 0.289 194 H LYS 29 H LYS 29 0.898 17.465 -0.396 195 HA LYS 29 HA LYS 29 2.030 15.397 -2.154 196 1HB LYS 29 1HB LYS 29 3.762 17.283 -0.664 197 1HG LYS 29 1HG LYS 29 2.184 18.706 -1.935 198 1HD LYS 29 1HD LYS 29 2.787 18.906 -4.365 199 1HE LYS 29 1HE LYS 29 1.201 16.974 -4.942 200 1HZ LYS 29 1HZ LYS 29 0.744 19.494 -4.419 201 2HZ LYS 29 2HZ LYS 29 0.001 18.866 -3.035 202 3HZ LYS 29 3HZ LYS 29 -0.550 18.404 -4.564 203 H LEU 30 H LEU 30 1.556 13.757 -0.995 204 HA LEU 30 HA LEU 30 2.820 13.502 1.653 205 1HB LEU 30 1HB LEU 30 0.925 11.601 0.270 206 HG LEU 30 HG LEU 30 -0.531 13.342 0.889 207 1HD1 LEU 30 1HD1 LEU 30 -0.700 11.846 3.444 208 2HD1 LEU 30 2HD1 LEU 30 -1.963 12.269 2.288 209 3HD1 LEU 30 3HD1 LEU 30 -0.858 10.941 1.939 210 1HD2 LEU 30 1HD2 LEU 30 1.052 13.575 3.442 211 2HD2 LEU 30 2HD2 LEU 30 0.958 14.753 2.131 212 3HD2 LEU 30 3HD2 LEU 30 -0.462 14.422 3.126 213 H GLY 31 H GLY 31 3.564 13.741 -1.254 214 1HA GLY 31 1HA GLY 31 4.425 11.211 -2.082 215 2HA GLY 31 2HA GLY 31 4.833 12.742 -2.796 216 H ALA 32 H ALA 32 6.128 14.054 -0.997 217 HA ALA 32 HA ALA 32 8.254 12.378 0.114 218 1HB ALA 32 1HB ALA 32 9.756 12.813 -1.453 219 2HB ALA 32 2HB ALA 32 8.521 13.667 -2.377 220 3HB ALA 32 3HB ALA 32 9.526 14.547 -1.227 221 H HIS 33 H HIS 33 8.736 13.032 2.034 222 HA HIS 33 HA HIS 33 9.735 15.379 2.844 223 1HB HIS 33 1HB HIS 33 8.052 16.671 3.978 224 HD1 HIS 33 HD1 HIS 33 6.065 13.762 2.508 225 HD2 HIS 33 HD2 HIS 33 5.754 16.768 5.356 226 HE1 HIS 33 HE1 HIS 33 3.830 13.424 3.607 227 HE2 HIS 33 HE2 HIS 33 3.577 15.391 5.161 228 H ALA 34 H ALA 34 10.033 12.652 3.331 229 HA ALA 34 HA ALA 34 10.291 12.573 6.154 230 1HB ALA 34 1HB ALA 34 8.577 10.387 5.897 231 2HB ALA 34 2HB ALA 34 8.269 11.888 6.770 232 3HB ALA 34 3HB ALA 34 7.757 11.723 5.089 233 H ASN 35 H ASN 35 11.638 11.029 6.806 234 HA ASN 35 HA ASN 35 12.724 9.053 4.959 235 1HB ASN 35 1HB ASN 35 14.230 10.100 6.613 236 1HD2 ASN 35 1HD2 ASN 35 13.798 7.676 8.836 237 2HD2 ASN 35 2HD2 ASN 35 14.833 6.478 8.135 238 H LEU 36 H LEU 36 12.586 6.649 5.610 239 HA LEU 36 HA LEU 36 10.526 5.850 7.382 240 1HB LEU 36 1HB LEU 36 9.041 4.935 5.577 241 HG LEU 36 HG LEU 36 10.865 6.558 3.836 242 1HD1 LEU 36 1HD1 LEU 36 10.028 3.788 4.042 243 2HD1 LEU 36 2HD1 LEU 36 9.826 4.429 2.409 244 3HD1 LEU 36 3HD1 LEU 36 11.411 4.512 3.201 245 1HD2 LEU 36 1HD2 LEU 36 9.189 6.896 2.173 246 2HD2 LEU 36 2HD2 LEU 36 8.031 5.879 3.031 247 3HD2 LEU 36 3HD2 LEU 36 8.480 7.450 3.691 248 H LYS 37 H LYS 37 10.491 3.519 7.573 249 HA LYS 37 HA LYS 37 12.498 2.380 5.791 250 1HB LYS 37 1HB LYS 37 13.378 0.966 7.482 251 1HG LYS 37 1HG LYS 37 11.087 1.902 9.196 252 1HD LYS 37 1HD LYS 37 13.238 2.040 10.378 253 1HE LYS 37 1HE LYS 37 13.410 -0.906 9.720 254 1HZ LYS 37 1HZ LYS 37 14.803 0.735 11.714 255 2HZ LYS 37 2HZ LYS 37 15.671 -0.477 10.905 256 3HZ LYS 37 3HZ LYS 37 14.295 -0.882 11.808 257 H LEU 38 H LEU 38 11.945 0.347 4.817 258 HA LEU 38 HA LEU 38 9.199 -0.458 5.456 259 1HB LEU 38 1HB LEU 38 10.712 -0.050 2.905 260 HG LEU 38 HG LEU 38 9.445 1.801 2.759 261 1HD1 LEU 38 1HD1 LEU 38 7.247 -0.220 2.372 262 2HD1 LEU 38 2HD1 LEU 38 7.132 1.488 1.950 263 3HD1 LEU 38 3HD1 LEU 38 8.306 0.458 1.134 264 1HD2 LEU 38 1HD2 LEU 38 8.823 1.460 5.219 265 2HD2 LEU 38 2HD2 LEU 38 7.776 2.482 4.234 266 3HD2 LEU 38 3HD2 LEU 38 7.295 0.826 4.605 267 H THR 39 H THR 39 8.995 -2.531 5.989 268 HA THR 39 HA THR 39 11.028 -4.482 5.138 269 HB THR 39 HB THR 39 9.785 -4.140 7.877 270 HG1 THR 39 HG1 THR 39 12.315 -3.338 6.871 271 1HG2 THR 39 1HG2 THR 39 10.450 -6.495 7.227 272 2HG2 THR 39 2HG2 THR 39 11.316 -5.881 8.633 273 3HG2 THR 39 3HG2 THR 39 12.113 -5.933 7.062 274 H ILE 40 H ILE 40 9.760 -6.935 5.685 275 HA ILE 40 HA ILE 40 6.904 -6.745 5.707 276 HB ILE 40 HB ILE 40 6.481 -7.678 3.499 277 1HG1 ILE 40 1HG1 ILE 40 8.681 -8.791 3.328 278 1HG2 ILE 40 1HG2 ILE 40 6.181 -5.408 3.292 279 2HG2 ILE 40 2HG2 ILE 40 7.905 -5.065 3.424 280 3HG2 ILE 40 3HG2 ILE 40 7.258 -5.785 1.949 281 1HD1 ILE 40 1HD1 ILE 40 9.688 -6.174 3.117 282 2HD1 ILE 40 2HD1 ILE 40 10.552 -7.712 3.133 283 3HD1 ILE 40 3HD1 ILE 40 9.998 -7.029 1.604 284 H THR 41 H THR 41 6.817 -8.483 7.120 285 HA THR 41 HA THR 41 7.657 -11.065 6.122 286 HB THR 41 HB THR 41 9.750 -9.889 6.669 287 HG1 THR 41 HG1 THR 41 9.336 -12.155 8.378 288 1HG2 THR 41 1HG2 THR 41 10.294 -10.030 9.245 289 2HG2 THR 41 2HG2 THR 41 8.561 -9.711 9.366 290 3HG2 THR 41 3HG2 THR 41 9.606 -8.591 8.473 291 H GLN 42 H GLN 42 6.323 -12.602 6.899 292 HA GLN 42 HA GLN 42 5.884 -13.070 9.589 293 1HB GLN 42 1HB GLN 42 4.345 -11.227 9.713 294 1HG GLN 42 1HG GLN 42 2.818 -13.801 9.330 295 1HE2 GLN 42 1HE2 GLN 42 2.265 -12.506 12.276 296 2HE2 GLN 42 2HE2 GLN 42 0.816 -11.611 11.957 297 H GLU 43 H GLU 43 3.504 -13.250 6.974 298 HA GLU 43 HA GLU 43 3.634 -16.114 7.259 299 1HB GLU 43 1HB GLU 43 1.423 -14.351 6.203 300 1HG GLU 43 1HG GLU 43 1.676 -15.892 8.765 301 H GLY 44 H GLY 44 3.058 -17.256 4.909 302 1HA GLY 44 1HA GLY 44 4.428 -15.410 3.073 303 2HA GLY 44 2HA GLY 44 4.577 -17.158 2.894 304 H ASN 45 H ASN 45 2.509 -14.585 3.064 305 HA ASN 45 HA ASN 45 2.022 -14.391 0.469 306 1HB ASN 45 1HB ASN 45 -0.516 -14.537 0.319 307 1HD2 ASN 45 1HD2 ASN 45 0.748 -16.181 3.224 308 2HD2 ASN 45 2HD2 ASN 45 -0.807 -16.420 3.956 309 H LYS 46 H LYS 46 2.887 -12.570 1.389 310 HA LYS 46 HA LYS 46 1.157 -10.576 2.446 311 1HB LYS 46 1HB LYS 46 1.555 -12.452 4.279 312 1HG LYS 46 1HG LYS 46 2.081 -9.635 5.150 313 1HD LYS 46 1HD LYS 46 2.089 -11.536 6.804 314 1HE LYS 46 1HE LYS 46 -0.483 -12.002 5.526 315 1HZ LYS 46 1HZ LYS 46 -1.781 -11.620 7.275 316 2HZ LYS 46 2HZ LYS 46 -0.463 -11.266 8.281 317 3HZ LYS 46 3HZ LYS 46 -0.964 -12.872 8.083 318 H PHE 47 H PHE 47 2.487 -8.690 3.235 319 HA PHE 47 HA PHE 47 5.304 -8.805 3.030 320 1HB PHE 47 1HB PHE 47 4.961 -6.713 1.224 321 HD1 PHE 47 HD1 PHE 47 4.480 -9.438 -0.892 322 HD2 PHE 47 HD2 PHE 47 2.305 -6.543 1.344 323 HE1 PHE 47 HE1 PHE 47 2.510 -9.824 -2.310 324 HE2 PHE 47 HE2 PHE 47 0.336 -6.926 -0.064 325 HZ PHE 47 HZ PHE 47 0.431 -8.570 -1.899 326 H THR 48 H THR 48 5.285 -7.921 5.060 327 HA THR 48 HA THR 48 4.302 -5.213 5.376 328 HB THR 48 HB THR 48 2.282 -6.512 5.296 329 HG1 THR 48 HG1 THR 48 2.839 -5.908 8.027 330 1HG2 THR 48 1HG2 THR 48 2.185 -8.050 7.513 331 2HG2 THR 48 2HG2 THR 48 3.865 -8.282 6.977 332 3HG2 THR 48 3HG2 THR 48 2.509 -8.626 5.879 333 H VAL 49 H VAL 49 6.049 -4.505 6.477 334 HA VAL 49 HA VAL 49 5.995 -4.945 9.239 335 HB VAL 49 HB VAL 49 8.394 -6.002 7.698 336 1HG1 VAL 49 1HG1 VAL 49 8.200 -5.488 10.679 337 2HG1 VAL 49 2HG1 VAL 49 9.546 -6.272 9.847 338 3HG1 VAL 49 3HG1 VAL 49 9.174 -4.582 9.514 339 1HG2 VAL 49 1HG2 VAL 49 6.273 -7.417 8.706 340 2HG2 VAL 49 2HG2 VAL 49 7.863 -8.033 8.183 341 3HG2 VAL 49 3HG2 VAL 49 7.564 -7.651 9.897 342 H LYS 50 H LYS 50 6.190 -2.445 9.421 343 HA LYS 50 HA LYS 50 8.856 -1.655 8.827 344 1HB LYS 50 1HB LYS 50 7.964 0.131 7.090 345 1HG LYS 50 1HG LYS 50 6.051 -2.095 6.942 346 1HD LYS 50 1HD LYS 50 6.907 -0.520 4.529 347 1HE LYS 50 1HE LYS 50 5.527 -2.210 3.330 348 1HZ LYS 50 1HZ LYS 50 3.598 -1.051 5.153 349 2HZ LYS 50 2HZ LYS 50 3.730 -0.906 3.469 350 3HZ LYS 50 3HZ LYS 50 4.688 0.055 4.474 351 H GLU 51 H GLU 51 9.046 -0.603 10.711 352 HA GLU 51 HA GLU 51 7.119 1.610 11.146 353 1HB GLU 51 1HB GLU 51 8.894 0.882 13.369 354 1HG GLU 51 1HG GLU 51 7.302 -1.108 13.913 355 H SER 52 H SER 52 8.379 2.994 9.703 356 HA SER 52 HA SER 52 9.763 4.709 11.432 357 1HB SER 52 1HB SER 52 11.888 4.225 11.111 358 HG SER 52 HG SER 52 12.246 4.031 8.478 359 H SER 53 H SER 53 9.463 6.685 10.908 360 HA SER 53 HA SER 53 9.322 7.694 8.291 361 1HB SER 53 1HB SER 53 6.703 7.206 9.696 362 HG SER 53 HG SER 53 7.772 6.008 7.752 363 H ASN 54 H ASN 54 8.679 10.033 8.363 364 HA ASN 54 HA ASN 54 10.350 11.429 9.951 365 1HB ASN 54 1HB ASN 54 9.186 13.453 9.338 366 1HD2 ASN 54 1HD2 ASN 54 7.343 14.410 9.766 367 2HD2 ASN 54 2HD2 ASN 54 5.764 13.809 9.382 368 H PHE 55 H PHE 55 7.232 10.285 11.047 369 HA PHE 55 HA PHE 55 7.702 11.610 13.618 370 1HB PHE 55 1HB PHE 55 6.296 13.136 12.233 371 HD1 PHE 55 HD1 PHE 55 3.249 12.325 13.398 372 HD2 PHE 55 HD2 PHE 55 7.103 13.312 14.911 373 HE1 PHE 55 HE1 PHE 55 2.221 13.128 15.483 374 HE2 PHE 55 HE2 PHE 55 6.080 14.119 16.997 375 HZ PHE 55 HZ PHE 55 3.637 14.025 17.286 376 H ARG 56 H ARG 56 5.606 9.483 11.741 377 HA ARG 56 HA ARG 56 5.030 7.903 14.164 378 1HB ARG 56 1HB ARG 56 3.166 8.754 12.593 379 1HG ARG 56 1HG ARG 56 3.418 5.850 13.286 380 1HD ARG 56 1HD ARG 56 1.270 7.257 11.750 381 HE ARG 56 HE ARG 56 0.561 5.789 13.928 382 1HH1 ARG 56 1HH1 ARG 56 0.365 5.097 10.500 383 2HH1 ARG 56 2HH1 ARG 56 -1.229 4.401 10.595 384 1HH2 ARG 56 1HH2 ARG 56 -1.557 4.901 14.056 385 2HH2 ARG 56 2HH2 ARG 56 -2.326 4.308 12.612 386 H ASN 57 H ASN 57 5.241 5.491 13.902 387 HA ASN 57 HA ASN 57 6.502 4.503 11.568 388 1HB ASN 57 1HB ASN 57 8.542 3.587 12.849 389 1HD2 ASN 57 1HD2 ASN 57 9.669 6.459 13.573 390 2HD2 ASN 57 2HD2 ASN 57 9.544 6.457 15.303 391 H ILE 58 H ILE 58 5.074 3.181 11.418 392 HA ILE 58 HA ILE 58 5.565 0.720 12.382 393 HB ILE 58 HB ILE 58 4.484 1.176 14.447 394 1HG1 ILE 58 1HG1 ILE 58 2.376 -0.380 14.074 395 1HG2 ILE 58 1HG2 ILE 58 2.037 2.100 12.963 396 2HG2 ILE 58 2HG2 ILE 58 2.327 2.145 14.705 397 3HG2 ILE 58 3HG2 ILE 58 3.264 3.194 13.627 398 1HD1 ILE 58 1HD1 ILE 58 5.139 -0.906 14.206 399 2HD1 ILE 58 2HD1 ILE 58 3.796 -1.964 14.640 400 3HD1 ILE 58 3HD1 ILE 58 4.438 -1.984 12.997 401 H ASP 59 H ASP 59 4.990 -0.482 10.713 402 HA ASP 59 HA ASP 59 2.434 0.008 9.533 403 1HB ASP 59 1HB ASP 59 3.970 1.488 8.247 404 H VAL 60 H VAL 60 1.947 -1.954 10.301 405 HA VAL 60 HA VAL 60 3.047 -4.226 8.790 406 HB VAL 60 HB VAL 60 3.063 -5.547 10.894 407 1HG1 VAL 60 1HG1 VAL 60 5.252 -5.206 10.875 408 2HG1 VAL 60 2HG1 VAL 60 4.986 -3.731 9.943 409 3HG1 VAL 60 3HG1 VAL 60 5.040 -3.661 11.705 410 1HG2 VAL 60 1HG2 VAL 60 1.646 -4.131 12.300 411 2HG2 VAL 60 2HG2 VAL 60 3.220 -4.364 13.053 412 3HG2 VAL 60 3HG2 VAL 60 2.846 -2.838 12.247 413 H VAL 61 H VAL 61 1.062 -4.368 7.692 414 HA VAL 61 HA VAL 61 -0.741 -6.198 8.802 415 HB VAL 61 HB VAL 61 -2.138 -3.593 8.094 416 1HG1 VAL 61 1HG1 VAL 61 -3.323 -6.068 9.318 417 2HG1 VAL 61 2HG1 VAL 61 -4.167 -4.683 8.626 418 3HG1 VAL 61 3HG1 VAL 61 -3.262 -5.777 7.580 419 1HG2 VAL 61 1HG2 VAL 61 -0.962 -3.678 10.413 420 2HG2 VAL 61 2HG2 VAL 61 -2.627 -3.108 10.292 421 3HG2 VAL 61 3HG2 VAL 61 -2.294 -4.751 10.842 422 H PHE 62 H PHE 62 -0.852 -7.490 6.982 423 HA PHE 62 HA PHE 62 -1.878 -6.246 4.582 424 1HB PHE 62 1HB PHE 62 0.813 -7.572 4.565 425 HD1 PHE 62 HD1 PHE 62 -0.119 -5.757 1.652 426 HD2 PHE 62 HD2 PHE 62 1.376 -5.373 5.603 427 HE1 PHE 62 HE1 PHE 62 0.889 -3.591 1.049 428 HE2 PHE 62 HE2 PHE 62 2.367 -3.215 5.041 429 HZ PHE 62 HZ PHE 62 2.157 -2.316 2.735 430 H GLU 63 H GLU 63 -2.346 -7.787 2.912 431 HA GLU 63 HA GLU 63 -2.849 -10.510 3.868 432 1HB GLU 63 1HB GLU 63 -4.898 -8.825 3.679 433 1HG GLU 63 1HG GLU 63 -5.141 -11.476 2.282 434 H LEU 64 H LEU 64 -3.137 -11.928 2.005 435 HA LEU 64 HA LEU 64 -1.140 -11.839 0.093 436 1HB LEU 64 1HB LEU 64 -2.329 -13.832 0.545 437 HG LEU 64 HG LEU 64 -1.840 -13.302 -2.004 438 1HD1 LEU 64 1HD1 LEU 64 -3.620 -15.636 -1.575 439 2HD1 LEU 64 2HD1 LEU 64 -2.031 -15.545 -2.337 440 3HD1 LEU 64 3HD1 LEU 64 -2.170 -15.520 -0.579 441 1HD2 LEU 64 1HD2 LEU 64 -4.125 -14.021 -3.126 442 2HD2 LEU 64 2HD2 LEU 64 -4.803 -13.186 -1.727 443 3HD2 LEU 64 3HD2 LEU 64 -3.736 -12.324 -2.839 444 H GLY 65 H GLY 65 -4.160 -10.161 0.349 445 1HA GLY 65 1HA GLY 65 -3.320 -8.360 -1.681 446 2HA GLY 65 2HA GLY 65 -4.719 -9.271 -2.205 447 H VAL 66 H VAL 66 -3.568 -7.083 0.414 448 HA VAL 66 HA VAL 66 -5.944 -5.479 -0.047 449 HB VAL 66 HB VAL 66 -5.529 -6.152 2.855 450 1HG1 VAL 66 1HG1 VAL 66 -7.123 -4.641 3.146 451 2HG1 VAL 66 2HG1 VAL 66 -7.055 -4.309 1.409 452 3HG1 VAL 66 3HG1 VAL 66 -8.205 -5.494 2.044 453 1HG2 VAL 66 1HG2 VAL 66 -7.918 -7.386 1.865 454 2HG2 VAL 66 2HG2 VAL 66 -6.498 -8.058 1.061 455 3HG2 VAL 66 3HG2 VAL 66 -6.602 -8.069 2.824 456 H ASP 67 H ASP 67 -5.838 -3.428 0.770 457 HA ASP 67 HA ASP 67 -3.554 -2.572 2.309 458 1HB ASP 67 1HB ASP 67 -3.142 -1.997 -0.137 459 H PHE 68 H PHE 68 -4.196 0.015 2.832 460 HA PHE 68 HA PHE 68 -6.840 -0.303 4.065 461 1HB PHE 68 1HB PHE 68 -4.735 1.619 4.911 462 HD1 PHE 68 HD1 PHE 68 -5.978 -1.268 6.777 463 HD2 PHE 68 HD2 PHE 68 -2.730 0.413 4.604 464 HE1 PHE 68 HE1 PHE 68 -4.528 -3.080 7.571 465 HE2 PHE 68 HE2 PHE 68 -1.262 -1.408 5.402 466 HZ PHE 68 HZ PHE 68 -2.178 -3.160 6.869 467 H ALA 69 H ALA 69 -7.947 1.617 4.589 468 HA ALA 69 HA ALA 69 -7.523 3.773 2.662 469 1HB ALA 69 1HB ALA 69 -10.077 2.545 3.679 470 2HB ALA 69 2HB ALA 69 -10.044 4.167 2.986 471 3HB ALA 69 3HB ALA 69 -9.544 2.782 2.011 472 H TYR 70 H TYR 70 -6.492 5.303 3.836 473 HA TYR 70 HA TYR 70 -7.736 6.806 5.843 474 1HB TYR 70 1HB TYR 70 -6.204 6.428 7.628 475 HD1 TYR 70 HD1 TYR 70 -3.865 7.006 7.132 476 HD2 TYR 70 HD2 TYR 70 -5.424 3.127 6.341 477 HE1 TYR 70 HE1 TYR 70 -1.578 6.134 6.935 478 HE2 TYR 70 HE2 TYR 70 -3.138 2.244 6.147 479 HH TYR 70 HH TYR 70 -0.963 2.730 6.110 480 H SER 71 H SER 71 -6.094 8.667 6.385 481 HA SER 71 HA SER 71 -4.820 8.979 3.821 482 1HB SER 71 1HB SER 71 -6.413 10.662 4.284 483 HG SER 71 HG SER 71 -5.102 11.937 3.281 484 H LEU 72 H LEU 72 -2.843 8.595 3.687 485 HA LEU 72 HA LEU 72 -1.131 7.786 5.577 486 1HB LEU 72 1HB LEU 72 -0.418 9.225 3.026 487 HG LEU 72 HG LEU 72 -1.627 7.093 2.681 488 1HD1 LEU 72 1HD1 LEU 72 -0.324 7.214 0.858 489 2HD1 LEU 72 2HD1 LEU 72 1.119 7.605 1.790 490 3HD1 LEU 72 3HD1 LEU 72 0.599 5.930 1.635 491 1HD2 LEU 72 1HD2 LEU 72 0.314 5.207 3.428 492 2HD2 LEU 72 2HD2 LEU 72 0.062 6.245 4.832 493 3HD2 LEU 72 3HD2 LEU 72 -1.306 5.413 4.093 494 H ALA 73 H ALA 73 -1.779 11.149 4.911 495 HA ALA 73 HA ALA 73 -0.505 11.916 7.354 496 1HB ALA 73 1HB ALA 73 1.158 11.940 5.125 497 2HB ALA 73 2HB ALA 73 0.678 13.624 5.343 498 3HB ALA 73 3HB ALA 73 1.443 12.745 6.667 499 H ASP 74 H ASP 74 -3.077 12.121 6.795 500 HA ASP 74 HA ASP 74 -3.626 14.890 7.048 501 1HB ASP 74 1HB ASP 74 -3.291 14.469 4.479 502 H GLY 75 H GLY 75 -6.402 14.265 5.781 503 1HA GLY 75 1HA GLY 75 -7.615 13.359 8.205 504 2HA GLY 75 2HA GLY 75 -8.442 13.692 6.691 505 H THR 76 H THR 76 -8.451 12.017 5.061 506 HA THR 76 HA THR 76 -7.479 9.397 5.622 507 HB THR 76 HB THR 76 -10.093 8.627 5.313 508 HG1 THR 76 HG1 THR 76 -11.438 9.898 6.458 509 1HG2 THR 76 1HG2 THR 76 -8.353 7.783 6.933 510 2HG2 THR 76 2HG2 THR 76 -10.009 7.803 7.543 511 3HG2 THR 76 3HG2 THR 76 -8.872 9.061 8.032 512 H GLU 77 H GLU 77 -6.883 8.736 3.755 513 HA GLU 77 HA GLU 77 -8.475 8.910 1.352 514 1HB GLU 77 1HB GLU 77 -5.809 10.208 1.258 515 1HG GLU 77 1HG GLU 77 -8.269 11.855 1.420 516 H LEU 78 H LEU 78 -8.038 6.626 1.278 517 HA LEU 78 HA LEU 78 -5.812 6.102 -0.219 518 1HB LEU 78 1HB LEU 78 -4.497 6.312 1.752 519 HG LEU 78 HG LEU 78 -4.883 3.387 1.270 520 1HD1 LEU 78 1HD1 LEU 78 -2.734 3.564 0.102 521 2HD1 LEU 78 2HD1 LEU 78 -3.948 4.628 -0.613 522 3HD1 LEU 78 3HD1 LEU 78 -2.698 5.295 0.438 523 1HD2 LEU 78 1HD2 LEU 78 -3.760 4.485 3.546 524 2HD2 LEU 78 2HD2 LEU 78 -3.487 2.845 2.941 525 3HD2 LEU 78 3HD2 LEU 78 -2.369 4.149 2.517 526 H THR 79 H THR 79 -5.424 3.864 -0.530 527 HA THR 79 HA THR 79 -7.951 2.487 -0.869 528 HB THR 79 HB THR 79 -7.257 1.908 -2.968 529 HG1 THR 79 HG1 THR 79 -5.133 1.050 -1.633 530 1HG2 THR 79 1HG2 THR 79 -5.018 3.751 -3.165 531 2HG2 THR 79 2HG2 THR 79 -6.352 4.484 -2.273 532 3HG2 THR 79 3HG2 THR 79 -6.617 3.860 -3.899 533 H GLY 80 H GLY 80 -8.047 0.309 -0.953 534 1HA GLY 80 1HA GLY 80 -5.763 -0.924 0.238 535 2HA GLY 80 2HA GLY 80 -7.345 -1.281 0.803 536 H THR 81 H THR 81 -4.914 -1.834 -1.225 537 HA THR 81 HA THR 81 -5.415 -4.379 -0.985 538 HB THR 81 HB THR 81 -5.297 -4.102 -3.961 539 HG1 THR 81 HG1 THR 81 -7.584 -3.993 -2.261 540 1HG2 THR 81 1HG2 THR 81 -5.677 -6.130 -1.906 541 2HG2 THR 81 2HG2 THR 81 -5.120 -6.291 -3.584 542 3HG2 THR 81 3HG2 THR 81 -6.848 -6.254 -3.226 543 H TRP 82 H TRP 82 -3.823 -5.592 -1.911 544 HA TRP 82 HA TRP 82 -1.842 -4.604 -3.504 545 1HB TRP 82 1HB TRP 82 -1.049 -5.175 -0.628 546 HD1 TRP 82 HD1 TRP 82 -1.870 -2.769 0.057 547 HE1 TRP 82 HE1 TRP 82 -0.871 -0.454 -0.320 548 HE3 TRP 82 HE3 TRP 82 1.424 -3.981 -3.596 549 HZ2 TRP 82 HZ2 TRP 82 1.166 0.719 -1.956 550 HZ3 TRP 82 HZ3 TRP 82 2.890 -2.234 -4.515 551 HH2 TRP 82 HH2 TRP 82 2.767 0.048 -3.708 552 H THR 83 H THR 83 -1.998 -6.536 -4.765 553 HA THR 83 HA THR 83 -1.992 -9.067 -3.264 554 HB THR 83 HB THR 83 -3.202 -8.837 -5.980 555 HG1 THR 83 HG1 THR 83 -4.372 -7.255 -5.031 556 1HG2 THR 83 1HG2 THR 83 -2.890 -11.022 -4.771 557 2HG2 THR 83 2HG2 THR 83 -4.539 -10.672 -5.289 558 3HG2 THR 83 3HG2 THR 83 -4.079 -10.454 -3.600 559 H MET 84 H MET 84 0.137 -9.578 -3.475 560 HA MET 84 HA MET 84 0.646 -10.927 -5.935 561 1HB MET 84 1HB MET 84 2.513 -8.778 -5.260 562 1HG MET 84 1HG MET 84 1.686 -8.425 -7.229 563 1HE MET 84 1HE MET 84 2.000 -12.331 -6.846 564 2HE MET 84 2HE MET 84 1.049 -12.922 -8.210 565 3HE MET 84 3HE MET 84 2.601 -12.136 -8.492 566 H GLU 85 H GLU 85 2.997 -11.773 -5.675 567 HA GLU 85 HA GLU 85 2.958 -13.299 -3.232 568 1HB GLU 85 1HB GLU 85 4.570 -13.656 -5.756 569 1HG GLU 85 1HG GLU 85 2.236 -15.289 -4.755 570 H GLY 86 H GLY 86 5.306 -13.602 -2.375 571 1HA GLY 86 1HA GLY 86 6.270 -10.890 -2.127 572 2HA GLY 86 2HA GLY 86 6.800 -12.275 -1.169 573 H ASN 87 H ASN 87 7.251 -10.320 -3.765 574 HA ASN 87 HA ASN 87 9.800 -10.842 -4.636 575 1HB ASN 87 1HB ASN 87 8.788 -13.145 -5.154 576 1HD2 ASN 87 1HD2 ASN 87 10.604 -13.963 -5.873 577 2HD2 ASN 87 2HD2 ASN 87 11.460 -13.475 -7.297 578 H LYS 88 H LYS 88 6.502 -9.933 -5.115 579 HA LYS 88 HA LYS 88 7.263 -7.578 -6.535 580 1HB LYS 88 1HB LYS 88 6.390 -8.003 -8.609 581 1HG LYS 88 1HG LYS 88 4.157 -8.724 -7.633 582 1HD LYS 88 1HD LYS 88 5.223 -10.827 -6.552 583 1HE LYS 88 1HE LYS 88 4.754 -11.754 -9.383 584 1HZ LYS 88 1HZ LYS 88 5.771 -13.625 -7.418 585 2HZ LYS 88 2HZ LYS 88 4.688 -13.873 -8.706 586 3HZ LYS 88 3HZ LYS 88 4.133 -13.223 -7.250 587 H LEU 89 H LEU 89 5.320 -6.209 -6.846 588 HA LEU 89 HA LEU 89 3.166 -7.092 -5.062 589 1HB LEU 89 1HB LEU 89 4.580 -4.483 -5.487 590 HG LEU 89 HG LEU 89 5.436 -5.559 -3.622 591 1HD1 LEU 89 1HD1 LEU 89 4.545 -4.005 -1.756 592 2HD1 LEU 89 2HD1 LEU 89 5.347 -3.287 -3.165 593 3HD1 LEU 89 3HD1 LEU 89 3.578 -3.289 -3.043 594 1HD2 LEU 89 1HD2 LEU 89 3.089 -6.874 -3.416 595 2HD2 LEU 89 2HD2 LEU 89 4.265 -6.776 -2.101 596 3HD2 LEU 89 3HD2 LEU 89 2.881 -5.684 -2.128 597 H VAL 90 H VAL 90 0.967 -6.636 -5.659 598 HA VAL 90 HA VAL 90 0.443 -4.602 -7.479 599 HB VAL 90 HB VAL 90 1.225 -6.140 -9.197 600 1HG1 VAL 90 1HG1 VAL 90 0.302 -8.213 -9.702 601 2HG1 VAL 90 2HG1 VAL 90 0.469 -8.239 -7.935 602 3HG1 VAL 90 3HG1 VAL 90 -1.109 -7.931 -8.684 603 1HG2 VAL 90 1HG2 VAL 90 -1.620 -6.162 -9.848 604 2HG2 VAL 90 2HG2 VAL 90 -1.030 -4.615 -9.225 605 3HG2 VAL 90 3HG2 VAL 90 -0.278 -5.342 -10.650 606 H GLY 91 H GLY 91 -1.127 -3.906 -6.248 607 1HA GLY 91 1HA GLY 91 -3.648 -5.277 -6.066 608 2HA GLY 91 2HA GLY 91 -2.719 -5.317 -4.572 609 H LYS 92 H LYS 92 -5.257 -3.964 -5.402 610 HA LYS 92 HA LYS 92 -4.549 -1.349 -4.482 611 1HB LYS 92 1HB LYS 92 -3.752 -1.113 -6.564 612 1HG LYS 92 1HG LYS 92 -6.071 0.239 -5.978 613 1HD LYS 92 1HD LYS 92 -7.556 0.219 -7.657 614 1HE LYS 92 1HE LYS 92 -6.800 -2.294 -7.461 615 1HZ LYS 92 1HZ LYS 92 -6.451 -2.335 -10.276 616 2HZ LYS 92 2HZ LYS 92 -5.485 -3.042 -9.074 617 3HZ LYS 92 3HZ LYS 92 -5.214 -1.431 -9.546 618 H PHE 93 H PHE 93 -6.116 0.106 -4.353 619 HA PHE 93 HA PHE 93 -8.863 -0.534 -4.811 620 1HB PHE 93 1HB PHE 93 -7.840 -0.588 -2.081 621 HD1 PHE 93 HD1 PHE 93 -8.826 -2.572 -4.093 622 HD2 PHE 93 HD2 PHE 93 -10.877 -0.298 -1.157 623 HE1 PHE 93 HE1 PHE 93 -10.567 -4.316 -3.967 624 HE2 PHE 93 HE2 PHE 93 -12.619 -2.031 -1.009 625 HZ PHE 93 HZ PHE 93 -12.469 -4.047 -2.421 626 H LYS 94 H LYS 94 -10.098 1.362 -3.906 627 HA LYS 94 HA LYS 94 -8.868 3.591 -5.087 628 1HB LYS 94 1HB LYS 94 -10.923 4.316 -5.524 629 1HG LYS 94 1HG LYS 94 -11.471 4.412 -3.046 630 1HD LYS 94 1HD LYS 94 -13.134 1.977 -3.619 631 1HE LYS 94 1HE LYS 94 -13.532 3.560 -1.663 632 1HZ LYS 94 1HZ LYS 94 -11.945 3.895 -0.174 633 2HZ LYS 94 2HZ LYS 94 -10.846 3.048 -1.156 634 3HZ LYS 94 3HZ LYS 94 -11.720 2.229 0.045 635 H ARG 95 H ARG 95 -8.720 5.527 -4.100 636 HA ARG 95 HA ARG 95 -7.827 5.608 -1.499 637 1HB ARG 95 1HB ARG 95 -7.723 7.937 -1.656 638 1HG ARG 95 1HG ARG 95 -9.844 8.016 -3.817 639 1HD ARG 95 1HD ARG 95 -9.685 10.250 -3.721 640 HE ARG 95 HE ARG 95 -7.342 9.601 -4.165 641 1HH1 ARG 95 1HH1 ARG 95 -8.076 10.886 -1.022 642 2HH1 ARG 95 2HH1 ARG 95 -6.644 11.872 -0.938 643 1HH2 ARG 95 1HH2 ARG 95 -5.395 10.845 -4.044 644 2HH2 ARG 95 2HH2 ARG 95 -5.110 11.821 -2.639 645 H VAL 96 H VAL 96 -8.698 7.547 -0.060 646 HA VAL 96 HA VAL 96 -11.407 6.661 0.795 647 HB VAL 96 HB VAL 96 -9.471 8.405 2.326 648 1HG1 VAL 96 1HG1 VAL 96 -11.633 7.000 3.750 649 2HG1 VAL 96 2HG1 VAL 96 -11.023 8.644 3.950 650 3HG1 VAL 96 3HG1 VAL 96 -12.176 8.279 2.664 651 1HG2 VAL 96 1HG2 VAL 96 -9.664 6.196 3.796 652 2HG2 VAL 96 2HG2 VAL 96 -9.883 5.491 2.194 653 3HG2 VAL 96 3HG2 VAL 96 -8.425 6.423 2.554 654 H ASP 97 H ASP 97 -9.677 9.503 -0.342 655 HA ASP 97 HA ASP 97 -11.334 11.495 0.628 656 1HB ASP 97 1HB ASP 97 -9.367 12.185 -0.506 657 H ASN 98 H ASN 98 -11.774 9.461 -2.191 658 HA ASN 98 HA ASN 98 -14.536 9.526 -1.650 659 1HB ASN 98 1HB ASN 98 -15.435 10.295 -3.798 660 1HD2 ASN 98 1HD2 ASN 98 -15.226 10.581 -5.900 661 2HD2 ASN 98 2HD2 ASN 98 -13.730 10.848 -6.740 662 H GLY 99 H GLY 99 -12.571 8.986 -4.524 663 1HA GLY 99 1HA GLY 99 -12.087 6.329 -3.913 664 2HA GLY 99 2HA GLY 99 -13.435 6.353 -5.055 665 H LYS 100 H LYS 100 -10.089 6.501 -4.641 666 HA LYS 100 HA LYS 100 -9.950 6.627 -7.568 667 1HB LYS 100 1HB LYS 100 -7.412 7.221 -6.276 668 1HG LYS 100 1HG LYS 100 -8.605 8.781 -4.946 669 1HD LYS 100 1HD LYS 100 -9.727 9.806 -7.532 670 1HE LYS 100 1HE LYS 100 -9.790 11.132 -4.809 671 1HZ LYS 100 1HZ LYS 100 -11.122 11.624 -7.324 672 2HZ LYS 100 2HZ LYS 100 -10.299 12.985 -6.738 673 3HZ LYS 100 3HZ LYS 100 -11.469 12.226 -5.778 674 H GLU 101 H GLU 101 -9.913 4.485 -7.873 675 HA GLU 101 HA GLU 101 -8.252 2.909 -6.137 676 1HB GLU 101 1HB GLU 101 -9.420 0.981 -6.937 677 1HG GLU 101 1HG GLU 101 -10.622 2.737 -9.041 678 H LEU 102 H LEU 102 -6.190 2.822 -6.801 679 HA LEU 102 HA LEU 102 -5.342 1.512 -9.079 680 1HB LEU 102 1HB LEU 102 -5.390 4.463 -9.392 681 HG LEU 102 HG LEU 102 -6.894 3.433 -10.815 682 1HD1 LEU 102 1HD1 LEU 102 -4.630 4.612 -11.913 683 2HD1 LEU 102 2HD1 LEU 102 -4.891 3.166 -12.888 684 3HD1 LEU 102 3HD1 LEU 102 -6.180 4.356 -12.712 685 1HD2 LEU 102 1HD2 LEU 102 -5.596 1.142 -10.242 686 2HD2 LEU 102 2HD2 LEU 102 -6.776 1.282 -11.560 687 3HD2 LEU 102 3HD2 LEU 102 -5.049 1.382 -11.914 688 H ILE 103 H ILE 103 -3.572 0.611 -8.518 689 HA ILE 103 HA ILE 103 -1.321 1.882 -7.531 690 HB ILE 103 HB ILE 103 -3.236 0.905 -5.432 691 1HG1 ILE 103 1HG1 ILE 103 -0.777 2.644 -5.026 692 1HG2 ILE 103 1HG2 ILE 103 -0.687 0.636 -4.217 693 2HG2 ILE 103 2HG2 ILE 103 -1.911 -0.611 -4.468 694 3HG2 ILE 103 3HG2 ILE 103 -0.652 -0.354 -5.677 695 1HD1 ILE 103 1HD1 ILE 103 -2.097 2.132 -3.060 696 2HD1 ILE 103 2HD1 ILE 103 -2.206 3.843 -3.480 697 3HD1 ILE 103 3HD1 ILE 103 -3.542 2.751 -3.864 698 H ALA 104 H ALA 104 0.331 0.437 -8.355 699 HA ALA 104 HA ALA 104 0.125 -2.352 -7.755 700 1HB ALA 104 1HB ALA 104 -0.053 -3.067 -10.198 701 2HB ALA 104 2HB ALA 104 -1.505 -2.560 -9.335 702 3HB ALA 104 3HB ALA 104 -0.726 -1.456 -10.467 703 H VAL 105 H VAL 105 2.269 -2.477 -7.182 704 HA VAL 105 HA VAL 105 3.998 -3.144 -9.278 705 HB VAL 105 HB VAL 105 4.085 -0.605 -9.417 706 1HG1 VAL 105 1HG1 VAL 105 4.137 -0.759 -6.768 707 2HG1 VAL 105 2HG1 VAL 105 5.866 -0.529 -7.098 708 3HG1 VAL 105 3HG1 VAL 105 4.691 0.654 -7.687 709 1HG2 VAL 105 1HG2 VAL 105 6.786 -1.652 -8.694 710 2HG2 VAL 105 2HG2 VAL 105 5.940 -2.279 -10.108 711 3HG2 VAL 105 3HG2 VAL 105 6.327 -0.562 -10.001 712 H ARG 106 H ARG 106 6.091 -3.945 -8.380 713 HA ARG 106 HA ARG 106 6.006 -3.771 -5.492 714 1HB ARG 106 1HB ARG 106 6.385 -6.164 -6.023 715 1HG ARG 106 1HG ARG 106 8.948 -5.815 -4.937 716 1HD ARG 106 1HD ARG 106 6.211 -6.578 -4.084 717 HE ARG 106 HE ARG 106 7.618 -7.229 -1.874 718 1HH1 ARG 106 1HH1 ARG 106 7.494 -4.007 -3.227 719 2HH1 ARG 106 2HH1 ARG 106 7.158 -3.229 -1.681 720 1HH2 ARG 106 1HH2 ARG 106 7.036 -6.169 0.154 721 2HH2 ARG 106 2HH2 ARG 106 6.769 -4.405 0.118 722 H GLU 107 H GLU 107 7.766 -3.128 -4.567 723 HA GLU 107 HA GLU 107 9.490 -1.468 -6.164 724 1HB GLU 107 1HB GLU 107 10.103 -1.147 -3.464 725 1HG GLU 107 1HG GLU 107 7.125 -1.107 -3.576 726 H ILE 108 H ILE 108 11.067 -2.790 -6.969 727 HA ILE 108 HA ILE 108 13.051 -3.912 -5.276 728 HB ILE 108 HB ILE 108 11.383 -5.811 -6.981 729 1HG1 ILE 108 1HG1 ILE 108 11.717 -5.574 -3.993 730 1HG2 ILE 108 1HG2 ILE 108 13.513 -6.917 -5.302 731 2HG2 ILE 108 2HG2 ILE 108 13.035 -7.313 -6.954 732 3HG2 ILE 108 3HG2 ILE 108 14.053 -5.909 -6.645 733 1HD1 ILE 108 1HD1 ILE 108 11.755 -7.807 -3.835 734 2HD1 ILE 108 2HD1 ILE 108 10.062 -7.718 -4.330 735 3HD1 ILE 108 3HD1 ILE 108 11.317 -8.034 -5.530 736 H SER 109 H SER 109 15.015 -3.806 -6.422 737 HA SER 109 HA SER 109 15.173 -4.561 -9.150 738 1HB SER 109 1HB SER 109 14.115 -2.278 -9.418 739 HG SER 109 HG SER 109 15.193 -2.830 -11.196 740 H GLY 110 H GLY 110 16.991 -5.759 -8.651 741 1HA GLY 110 1HA GLY 110 19.153 -6.226 -7.930 742 2HA GLY 110 2HA GLY 110 19.519 -4.504 -8.127 743 H ASN 111 H ASN 111 19.405 -3.169 -6.474 744 HA ASN 111 HA ASN 111 17.584 -3.805 -4.424 745 1HB ASN 111 1HB ASN 111 18.965 -3.228 -2.460 746 1HD2 ASN 111 1HD2 ASN 111 20.466 -1.944 -1.726 747 2HD2 ASN 111 2HD2 ASN 111 22.000 -1.632 -2.459 748 H GLU 112 H GLU 112 16.404 -2.353 -5.093 749 HA GLU 112 HA GLU 112 16.707 0.406 -4.524 750 1HB GLU 112 1HB GLU 112 17.843 0.809 -6.510 751 1HG GLU 112 1HG GLU 112 15.006 0.567 -7.485 752 H LEU 113 H LEU 113 14.532 1.081 -4.162 753 HA LEU 113 HA LEU 113 12.647 -0.968 -5.142 754 1HB LEU 113 1HB LEU 113 13.007 0.324 -2.528 755 HG LEU 113 HG LEU 113 11.741 -2.167 -3.636 756 1HD1 LEU 113 1HD1 LEU 113 14.288 -1.798 -3.291 757 2HD1 LEU 113 2HD1 LEU 113 13.891 -2.203 -1.620 758 3HD1 LEU 113 3HD1 LEU 113 13.510 -3.344 -2.917 759 1HD2 LEU 113 1HD2 LEU 113 11.076 -0.927 -1.169 760 2HD2 LEU 113 2HD2 LEU 113 10.435 -2.397 -1.902 761 3HD2 LEU 113 3HD2 LEU 113 11.871 -2.473 -0.881 762 H ILE 114 H ILE 114 10.409 -0.273 -5.402 763 HA ILE 114 HA ILE 114 10.135 2.378 -6.631 764 HB ILE 114 HB ILE 114 9.182 -0.052 -8.094 765 1HG1 ILE 114 1HG1 ILE 114 11.962 1.087 -8.489 766 1HG2 ILE 114 1HG2 ILE 114 8.950 1.350 -9.881 767 2HG2 ILE 114 2HG2 ILE 114 8.785 2.526 -8.577 768 3HG2 ILE 114 3HG2 ILE 114 10.325 2.352 -9.420 769 1HD1 ILE 114 1HD1 ILE 114 10.595 -1.330 -9.623 770 2HD1 ILE 114 2HD1 ILE 114 11.208 0.074 -10.497 771 3HD1 ILE 114 3HD1 ILE 114 12.332 -1.037 -9.715 772 H GLN 115 H GLN 115 8.450 3.019 -5.368 773 HA GLN 115 HA GLN 115 6.185 1.174 -5.135 774 1HB GLN 115 1HB GLN 115 6.971 3.635 -3.563 775 1HG GLN 115 1HG GLN 115 6.105 0.955 -2.530 776 1HE2 GLN 115 1HE2 GLN 115 8.792 2.156 -1.080 777 2HE2 GLN 115 2HE2 GLN 115 8.072 3.003 0.243 778 H THR 116 H THR 116 5.096 1.420 -6.901 779 HA THR 116 HA THR 116 4.673 4.066 -7.991 780 HB THR 116 HB THR 116 3.849 1.426 -9.213 781 HG1 THR 116 HG1 THR 116 6.283 2.301 -8.824 782 1HG2 THR 116 1HG2 THR 116 3.345 2.583 -11.098 783 2HG2 THR 116 2HG2 THR 116 4.499 3.868 -10.728 784 3HG2 THR 116 3HG2 THR 116 2.948 3.799 -9.883 785 H TYR 117 H TYR 117 2.923 5.035 -7.200 786 HA TYR 117 HA TYR 117 0.628 3.366 -6.415 787 1HB TYR 117 1HB TYR 117 1.003 6.312 -5.766 788 HD1 TYR 117 HD1 TYR 117 -0.011 4.494 -2.998 789 HD2 TYR 117 HD2 TYR 117 3.568 5.610 -5.053 790 HE1 TYR 117 HE1 TYR 117 1.267 4.269 -0.910 791 HE2 TYR 117 HE2 TYR 117 4.829 5.352 -2.978 792 HH TYR 117 HH TYR 117 4.774 4.513 -0.839 793 H THR 118 H THR 118 -1.462 4.328 -7.015 794 HA THR 118 HA THR 118 -1.406 6.122 -9.329 795 HB THR 118 HB THR 118 -2.904 3.473 -9.530 796 HG1 THR 118 HG1 THR 118 -0.602 3.249 -10.833 797 1HG2 THR 118 1HG2 THR 118 -2.199 3.960 -11.977 798 2HG2 THR 118 2HG2 THR 118 -1.648 5.547 -11.411 799 3HG2 THR 118 3HG2 THR 118 -3.356 5.092 -11.274 800 H TYR 119 H TYR 119 -3.880 6.689 -9.924 801 HA TYR 119 HA TYR 119 -5.873 6.087 -8.014 802 1HB TYR 119 1HB TYR 119 -6.107 8.239 -6.887 803 HD1 TYR 119 HD1 TYR 119 -2.437 8.148 -7.460 804 HD2 TYR 119 HD2 TYR 119 -6.022 10.443 -7.668 805 HE1 TYR 119 HE1 TYR 119 -1.105 10.153 -7.965 806 HE2 TYR 119 HE2 TYR 119 -4.714 12.463 -8.161 807 HH TYR 119 HH TYR 119 -1.454 12.705 -7.669 808 H GLU 120 H GLU 120 -7.246 5.877 -9.552 809 HA GLU 120 HA GLU 120 -8.689 6.342 -11.236 810 1HB GLU 120 1HB GLU 120 -7.823 9.232 -11.040 811 1HG GLU 120 1HG GLU 120 -10.049 7.795 -9.615 812 H GLY 121 H GLY 121 -5.804 8.369 -11.498 813 1HA GLY 121 1HA GLY 121 -4.464 6.547 -12.880 814 2HA GLY 121 2HA GLY 121 -5.083 7.591 -14.168 815 H VAL 122 H VAL 122 -2.818 7.149 -11.673 816 HA VAL 122 HA VAL 122 -1.035 8.887 -12.919 817 HB VAL 122 HB VAL 122 -1.699 9.758 -10.071 818 1HG1 VAL 122 1HG1 VAL 122 0.336 11.149 -11.711 819 2HG1 VAL 122 2HG1 VAL 122 0.244 10.917 -9.960 820 3HG1 VAL 122 3HG1 VAL 122 0.769 9.591 -11.004 821 1HG2 VAL 122 1HG2 VAL 122 -3.207 10.880 -11.526 822 2HG2 VAL 122 2HG2 VAL 122 -1.929 12.013 -11.069 823 3HG2 VAL 122 3HG2 VAL 122 -1.913 11.257 -12.667 824 H GLU 123 H GLU 123 0.558 7.463 -12.943 825 HA GLU 123 HA GLU 123 1.067 6.193 -10.369 826 1HB GLU 123 1HB GLU 123 2.090 4.384 -11.282 827 1HG GLU 123 1HG GLU 123 3.595 5.699 -12.810 828 H ALA 124 H ALA 124 3.032 6.349 -9.525 829 HA ALA 124 HA ALA 124 5.153 7.912 -10.663 830 1HB ALA 124 1HB ALA 124 2.984 9.186 -9.171 831 2HB ALA 124 2HB ALA 124 4.563 9.435 -8.413 832 3HB ALA 124 3HB ALA 124 4.306 9.922 -10.089 833 H LYS 125 H LYS 125 6.995 7.796 -9.292 834 HA LYS 125 HA LYS 125 6.779 6.405 -6.733 835 1HB LYS 125 1HB LYS 125 8.701 4.992 -8.381 836 1HG LYS 125 1HG LYS 125 7.187 3.645 -9.701 837 1HD LYS 125 1HD LYS 125 6.856 6.551 -10.343 838 1HE LYS 125 1HE LYS 125 5.125 5.421 -11.441 839 1HZ LYS 125 1HZ LYS 125 5.725 3.134 -11.159 840 2HZ LYS 125 2HZ LYS 125 7.116 3.310 -12.134 841 3HZ LYS 125 3HZ LYS 125 5.571 3.432 -12.831 842 H ARG 126 H ARG 126 8.894 6.172 -5.616 843 HA ARG 126 HA ARG 126 11.191 7.482 -6.600 844 1HB ARG 126 1HB ARG 126 11.118 9.571 -5.765 845 1HG ARG 126 1HG ARG 126 10.385 8.243 -3.325 846 1HD ARG 126 1HD ARG 126 9.675 11.043 -3.132 847 HE ARG 126 HE ARG 126 8.400 8.792 -1.871 848 1HH1 ARG 126 1HH1 ARG 126 10.797 11.302 -1.657 849 2HH1 ARG 126 2HH1 ARG 126 10.960 11.174 0.070 850 1HH2 ARG 126 1HH2 ARG 126 8.568 8.608 0.412 851 2HH2 ARG 126 2HH2 ARG 126 9.731 9.643 1.259 852 H ILE 127 H ILE 127 12.591 6.016 -5.724 853 HA ILE 127 HA ILE 127 12.814 5.841 -2.900 854 HB ILE 127 HB ILE 127 12.455 3.086 -3.868 855 1HG1 ILE 127 1HG1 ILE 127 9.967 4.810 -3.347 856 1HG2 ILE 127 1HG2 ILE 127 12.259 2.668 -1.686 857 2HG2 ILE 127 2HG2 ILE 127 12.898 4.311 -1.514 858 3HG2 ILE 127 3HG2 ILE 127 11.157 4.028 -1.416 859 1HD1 ILE 127 1HD1 ILE 127 8.991 2.405 -3.921 860 2HD1 ILE 127 2HD1 ILE 127 10.483 1.899 -3.127 861 3HD1 ILE 127 3HD1 ILE 127 9.336 2.926 -2.272 862 H PHE 128 H PHE 128 14.880 5.198 -2.387 863 HA PHE 128 HA PHE 128 16.046 3.315 -4.188 864 1HB PHE 128 1HB PHE 128 17.531 5.854 -3.518 865 HD1 PHE 128 HD1 PHE 128 16.941 7.431 -5.137 866 HD2 PHE 128 HD2 PHE 128 17.002 3.293 -6.116 867 HE1 PHE 128 HE1 PHE 128 16.202 7.984 -7.422 868 HE2 PHE 128 HE2 PHE 128 16.318 3.834 -8.434 869 HZ PHE 128 HZ PHE 128 15.915 6.181 -9.083 870 H LYS 129 H LYS 129 16.195 1.824 -3.128 871 HA LYS 129 HA LYS 129 16.260 2.088 -0.230 872 1HB LYS 129 1HB LYS 129 14.924 0.204 -2.089 873 1HG LYS 129 1HG LYS 129 14.050 2.152 -0.046 874 1HD LYS 129 1HD LYS 129 12.547 -0.248 -0.984 875 1HE LYS 129 1HE LYS 129 11.599 2.027 0.717 876 1HZ LYS 129 1HZ LYS 129 9.898 0.743 1.279 877 2HZ LYS 129 2HZ LYS 129 10.774 -0.578 0.695 878 3HZ LYS 129 3HZ LYS 129 9.660 0.211 -0.312 879 H LYS 130 H LYS 130 16.509 0.240 0.986 880 HA LYS 130 HA LYS 130 17.635 -1.362 2.036 881 1HB LYS 130 1HB LYS 130 16.593 -2.340 -0.047 882 1HG LYS 130 1HG LYS 130 18.877 -3.775 1.254 883 1HD LYS 130 1HD LYS 130 17.080 -4.509 -0.900 884 1HE LYS 130 1HE LYS 130 15.851 -5.339 1.118 885 1HZ LYS 130 1HZ LYS 130 17.097 -7.648 1.701 886 2HZ LYS 130 2HZ LYS 130 17.201 -6.252 2.655 887 3HZ LYS 130 3HZ LYS 130 18.427 -6.608 1.541 888 H GLU 131 H GLU 131 19.454 -1.684 2.976 889 HA GLU 131 HA GLU 131 21.976 -0.838 1.771 890 1HB GLU 131 1HB GLU 131 21.327 -1.966 4.505 891 1HG GLU 131 1HG GLU 131 22.295 0.783 3.761 Start of MODEL 2 1 1H ALA 1 1H ALA 1 11.644 -15.658 0.491 2 2H ALA 1 2H ALA 1 12.904 -15.390 1.592 3 3H ALA 1 3H ALA 1 13.176 -15.188 -0.070 4 HA ALA 1 HA ALA 1 12.978 -13.040 0.814 5 1HB ALA 1 1HB ALA 1 11.809 -12.569 -1.023 6 2HB ALA 1 2HB ALA 1 10.974 -14.123 -0.961 7 3HB ALA 1 3HB ALA 1 10.344 -12.747 -0.055 8 H PHE 2 H PHE 2 10.451 -11.772 1.359 9 HA PHE 2 HA PHE 2 9.113 -11.154 3.086 10 1HB PHE 2 1HB PHE 2 9.339 -14.078 3.848 11 HD1 PHE 2 HD1 PHE 2 6.097 -13.254 4.156 12 HD2 PHE 2 HD2 PHE 2 8.988 -13.782 1.081 13 HE1 PHE 2 HE1 PHE 2 4.302 -13.785 2.562 14 HE2 PHE 2 HE2 PHE 2 7.198 -14.302 -0.519 15 HZ PHE 2 HZ PHE 2 4.851 -14.305 0.221 16 H ASP 3 H ASP 3 11.821 -10.704 3.219 17 HA ASP 3 HA ASP 3 12.286 -10.371 6.052 18 1HB ASP 3 1HB ASP 3 12.970 -12.768 5.424 19 H GLY 4 H GLY 4 12.122 -8.893 3.468 20 1HA GLY 4 1HA GLY 4 14.852 -7.844 3.310 21 2HA GLY 4 2HA GLY 4 13.597 -7.614 2.098 22 H THR 5 H THR 5 15.147 -5.526 3.336 23 HA THR 5 HA THR 5 12.921 -3.938 3.990 24 HB THR 5 HB THR 5 13.601 -4.622 6.282 25 HG1 THR 5 HG1 THR 5 13.134 -2.308 5.352 26 1HG2 THR 5 1HG2 THR 5 16.020 -3.146 6.558 27 2HG2 THR 5 2HG2 THR 5 16.238 -4.302 5.244 28 3HG2 THR 5 3HG2 THR 5 15.750 -4.865 6.845 29 H TRP 6 H TRP 6 13.303 -1.879 3.308 30 HA TRP 6 HA TRP 6 15.814 -1.326 1.997 31 1HB TRP 6 1HB TRP 6 13.496 -1.229 0.218 32 HD1 TRP 6 HD1 TRP 6 15.300 -4.363 -0.484 33 HE1 TRP 6 HE1 TRP 6 13.688 -6.361 -0.294 34 HE3 TRP 6 HE3 TRP 6 11.528 -2.084 2.062 35 HZ2 TRP 6 HZ2 TRP 6 11.129 -6.861 0.729 36 HZ3 TRP 6 HZ3 TRP 6 9.505 -3.381 2.563 37 HH2 TRP 6 HH2 TRP 6 9.325 -5.720 1.933 38 H LYS 7 H LYS 7 15.692 1.179 1.967 39 HA LYS 7 HA LYS 7 13.103 2.150 2.748 40 1HB LYS 7 1HB LYS 7 14.129 2.610 5.132 41 1HG LYS 7 1HG LYS 7 15.155 0.673 6.067 42 1HD LYS 7 1HD LYS 7 17.355 0.593 4.578 43 1HE LYS 7 1HE LYS 7 16.985 1.722 6.822 44 1HZ LYS 7 1HZ LYS 7 15.676 3.537 6.641 45 2HZ LYS 7 2HZ LYS 7 16.140 3.866 5.043 46 3HZ LYS 7 3HZ LYS 7 17.156 4.303 6.323 47 H VAL 8 H VAL 8 13.111 4.118 2.057 48 HA VAL 8 HA VAL 8 15.143 5.945 2.842 49 HB VAL 8 HB VAL 8 15.340 6.482 0.223 50 1HG1 VAL 8 1HG1 VAL 8 17.226 5.841 1.772 51 2HG1 VAL 8 2HG1 VAL 8 16.868 4.131 1.379 52 3HG1 VAL 8 3HG1 VAL 8 17.375 5.279 0.092 53 1HG2 VAL 8 1HG2 VAL 8 15.225 3.496 0.091 54 2HG2 VAL 8 2HG2 VAL 8 13.735 4.441 -0.046 55 3HG2 VAL 8 3HG2 VAL 8 15.044 4.709 -1.202 56 H ASP 9 H ASP 9 13.032 5.486 0.239 57 HA ASP 9 HA ASP 9 11.858 8.103 0.694 58 1HB ASP 9 1HB ASP 9 13.101 6.740 -1.660 59 H ARG 10 H ARG 10 10.318 8.088 -1.459 60 HA ARG 10 HA ARG 10 8.593 5.976 -1.848 61 1HB ARG 10 1HB ARG 10 6.679 6.455 -0.577 62 1HG ARG 10 1HG ARG 10 7.794 8.966 0.591 63 1HD ARG 10 1HD ARG 10 5.538 9.518 1.011 64 HE ARG 10 HE ARG 10 4.998 6.798 1.632 65 1HH1 ARG 10 1HH1 ARG 10 7.133 9.454 2.478 66 2HH1 ARG 10 2HH1 ARG 10 7.488 8.825 4.060 67 1HH2 ARG 10 1HH2 ARG 10 5.444 5.993 3.732 68 2HH2 ARG 10 2HH2 ARG 10 6.517 6.865 4.777 69 H ASN 11 H ASN 11 6.616 7.121 -3.014 70 HA ASN 11 HA ASN 11 7.867 8.780 -4.928 71 1HB ASN 11 1HB ASN 11 5.793 8.534 -6.062 72 1HD2 ASN 11 1HD2 ASN 11 3.939 9.633 -5.857 73 2HD2 ASN 11 2HD2 ASN 11 2.817 9.529 -4.528 74 H GLU 12 H GLU 12 6.626 10.691 -5.780 75 HA GLU 12 HA GLU 12 5.894 12.347 -3.506 76 1HB GLU 12 1HB GLU 12 6.555 13.140 -6.326 77 1HG GLU 12 1HG GLU 12 8.070 14.759 -5.215 78 H ASN 13 H ASN 13 4.088 12.406 -3.099 79 HA ASN 13 HA ASN 13 1.900 12.260 -4.992 80 1HB ASN 13 1HB ASN 13 2.029 12.481 -1.981 81 1HD2 ASN 13 1HD2 ASN 13 -0.579 11.065 -3.460 82 2HD2 ASN 13 2HD2 ASN 13 -0.170 9.397 -3.195 83 H TYR 14 H TYR 14 4.061 13.874 -3.092 84 HA TYR 14 HA TYR 14 3.177 16.482 -3.150 85 1HB TYR 14 1HB TYR 14 5.071 15.714 -1.753 86 HD1 TYR 14 HD1 TYR 14 7.940 16.365 -2.853 87 HD2 TYR 14 HD2 TYR 14 4.241 18.459 -2.923 88 HE1 TYR 14 HE1 TYR 14 9.152 18.496 -3.044 89 HE2 TYR 14 HE2 TYR 14 5.430 20.583 -3.137 90 HH TYR 14 HH TYR 14 8.657 20.820 -3.952 91 H GLU 15 H GLU 15 3.875 14.251 -5.638 92 HA GLU 15 HA GLU 15 4.326 16.560 -7.385 93 1HB GLU 15 1HB GLU 15 5.542 15.312 -8.985 94 1HG GLU 15 1HG GLU 15 5.300 12.822 -7.277 95 H LYS 16 H LYS 16 2.960 13.466 -6.948 96 HA LYS 16 HA LYS 16 1.538 13.238 -9.284 97 1HB LYS 16 1HB LYS 16 0.278 12.781 -6.605 98 1HG LYS 16 1HG LYS 16 2.039 10.775 -7.903 99 1HD LYS 16 1HD LYS 16 1.418 10.554 -5.127 100 1HE LYS 16 1HE LYS 16 1.196 8.862 -7.570 101 1HZ LYS 16 1HZ LYS 16 0.216 7.359 -5.458 102 2HZ LYS 16 2HZ LYS 16 -0.601 7.797 -6.875 103 3HZ LYS 16 3HZ LYS 16 -0.717 8.775 -5.493 104 H PHE 17 H PHE 17 0.713 14.633 -6.295 105 HA PHE 17 HA PHE 17 -1.736 15.493 -7.620 106 1HB PHE 17 1HB PHE 17 -0.948 16.113 -4.807 107 HD1 PHE 17 HD1 PHE 17 -3.956 14.689 -4.521 108 HD2 PHE 17 HD2 PHE 17 0.018 13.385 -5.445 109 HE1 PHE 17 HE1 PHE 17 -4.535 12.373 -3.904 110 HE2 PHE 17 HE2 PHE 17 -0.590 11.163 -4.929 111 HZ PHE 17 HZ PHE 17 -2.811 10.594 -4.088 112 H MET 18 H MET 18 1.325 16.404 -6.860 113 HA MET 18 HA MET 18 0.942 19.175 -6.510 114 1HB MET 18 1HB MET 18 2.908 18.296 -5.666 115 1HG MET 18 1HG MET 18 3.650 19.234 -8.453 116 1HE MET 18 1HE MET 18 6.575 21.246 -7.391 117 2HE MET 18 2HE MET 18 7.057 20.016 -8.558 118 3HE MET 18 3HE MET 18 5.482 20.797 -8.700 119 H GLU 19 H GLU 19 1.904 17.103 -9.085 120 HA GLU 19 HA GLU 19 2.321 19.281 -10.856 121 1HB GLU 19 1HB GLU 19 2.204 16.359 -11.487 122 1HG GLU 19 1HG GLU 19 4.559 17.983 -10.503 123 H LYS 20 H LYS 20 -0.235 17.174 -10.027 124 HA LYS 20 HA LYS 20 -1.565 17.860 -12.532 125 1HB LYS 20 1HB LYS 20 -1.905 15.330 -12.911 126 1HG LYS 20 1HG LYS 20 0.493 15.324 -11.064 127 1HD LYS 20 1HD LYS 20 0.842 13.000 -11.803 128 1HE LYS 20 1HE LYS 20 1.904 15.124 -12.981 129 1HZ LYS 20 1HZ LYS 20 0.951 15.620 -14.909 130 2HZ LYS 20 2HZ LYS 20 -0.066 14.262 -14.845 131 3HZ LYS 20 3HZ LYS 20 1.488 14.123 -15.508 132 H MET 21 H MET 21 -1.899 15.888 -9.605 133 HA MET 21 HA MET 21 -4.503 15.198 -9.646 134 1HB MET 21 1HB MET 21 -3.169 14.542 -7.803 135 1HG MET 21 1HG MET 21 -4.275 15.149 -5.847 136 1HE MET 21 1HE MET 21 -6.852 15.065 -5.069 137 2HE MET 21 2HE MET 21 -7.729 15.915 -6.342 138 3HE MET 21 3HE MET 21 -8.104 14.228 -5.987 139 H GLY 22 H GLY 22 -3.476 17.943 -7.768 140 1HA GLY 22 1HA GLY 22 -5.457 19.797 -8.767 141 2HA GLY 22 2HA GLY 22 -5.989 19.007 -7.281 142 H ILE 23 H ILE 23 -3.234 18.718 -6.445 143 HA ILE 23 HA ILE 23 -1.584 19.617 -5.298 144 HB ILE 23 HB ILE 23 -0.413 21.358 -6.151 145 1HG1 ILE 23 1HG1 ILE 23 -2.939 22.769 -7.046 146 1HG2 ILE 23 1HG2 ILE 23 -2.300 20.828 -8.446 147 2HG2 ILE 23 2HG2 ILE 23 -0.612 21.326 -8.545 148 3HG2 ILE 23 3HG2 ILE 23 -1.019 19.710 -7.932 149 1HD1 ILE 23 1HD1 ILE 23 -1.706 24.455 -7.868 150 2HD1 ILE 23 2HD1 ILE 23 -0.428 24.249 -6.672 151 3HD1 ILE 23 3HD1 ILE 23 -0.499 23.188 -8.077 152 H ASN 24 H ASN 24 -4.265 21.947 -5.392 153 HA ASN 24 HA ASN 24 -5.161 23.304 -3.794 154 1HB ASN 24 1HB ASN 24 -4.814 20.679 -2.331 155 1HD2 ASN 24 1HD2 ASN 24 -7.877 21.716 -2.141 156 2HD2 ASN 24 2HD2 ASN 24 -8.561 20.924 -3.527 157 H VAL 25 H VAL 25 -4.640 22.591 -0.882 158 HA VAL 25 HA VAL 25 -2.279 24.264 -0.503 159 HB VAL 25 HB VAL 25 -2.867 23.945 1.980 160 1HG1 VAL 25 1HG1 VAL 25 -3.793 25.970 1.825 161 2HG1 VAL 25 2HG1 VAL 25 -3.662 25.781 0.078 162 3HG1 VAL 25 3HG1 VAL 25 -5.164 25.360 0.900 163 1HG2 VAL 25 1HG2 VAL 25 -5.245 23.422 2.418 164 2HG2 VAL 25 2HG2 VAL 25 -5.433 22.960 0.728 165 3HG2 VAL 25 3HG2 VAL 25 -4.353 22.041 1.779 166 H VAL 26 H VAL 26 -1.303 22.353 -1.676 167 HA VAL 26 HA VAL 26 0.218 20.703 -1.763 168 HB VAL 26 HB VAL 26 1.549 20.036 -0.062 169 1HG1 VAL 26 1HG1 VAL 26 0.507 22.708 0.369 170 2HG1 VAL 26 2HG1 VAL 26 1.253 22.011 1.808 171 3HG1 VAL 26 3HG1 VAL 26 2.171 22.128 0.304 172 1HG2 VAL 26 1HG2 VAL 26 0.961 19.685 2.248 173 2HG2 VAL 26 2HG2 VAL 26 -0.656 20.329 1.963 174 3HG2 VAL 26 3HG2 VAL 26 -0.160 18.820 1.195 175 H LYS 27 H LYS 27 -2.732 20.307 -0.064 176 HA LYS 27 HA LYS 27 -4.162 18.559 0.237 177 1HB LYS 27 1HB LYS 27 -4.087 19.144 -2.286 178 1HG LYS 27 1HG LYS 27 -5.897 17.791 -1.055 179 1HD LYS 27 1HD LYS 27 -4.612 15.564 -2.632 180 1HE LYS 27 1HE LYS 27 -7.125 15.606 -2.502 181 1HZ LYS 27 1HZ LYS 27 -8.185 15.722 -0.577 182 2HZ LYS 27 2HZ LYS 27 -6.724 16.210 0.131 183 3HZ LYS 27 3HZ LYS 27 -7.177 14.575 0.159 184 H ARG 28 H ARG 28 -2.212 16.531 -1.853 185 HA ARG 28 HA ARG 28 -1.978 14.657 0.389 186 1HB ARG 28 1HB ARG 28 -3.003 14.351 -2.183 187 1HG ARG 28 1HG ARG 28 -3.810 12.885 -0.502 188 1HD ARG 28 1HD ARG 28 -2.526 11.041 0.424 189 HE ARG 28 HE ARG 28 -0.691 12.896 1.386 190 1HH1 ARG 28 1HH1 ARG 28 -4.183 12.597 1.132 191 2HH1 ARG 28 2HH1 ARG 28 -4.485 13.677 2.449 192 1HH2 ARG 28 1HH2 ARG 28 -1.097 14.308 3.092 193 2HH2 ARG 28 2HH2 ARG 28 -2.737 14.685 3.551 194 H LYS 29 H LYS 29 0.193 16.789 -0.824 195 HA LYS 29 HA LYS 29 2.157 15.101 -1.885 196 1HB LYS 29 1HB LYS 29 3.228 17.337 -0.308 197 1HG LYS 29 1HG LYS 29 1.081 18.137 -1.575 198 1HD LYS 29 1HD LYS 29 2.138 19.214 -3.741 199 1HE LYS 29 1HE LYS 29 1.168 17.126 -4.941 200 1HZ LYS 29 1HZ LYS 29 -0.659 18.659 -3.180 201 2HZ LYS 29 2HZ LYS 29 -0.918 18.141 -4.771 202 3HZ LYS 29 3HZ LYS 29 0.159 19.411 -4.463 203 H LEU 30 H LEU 30 2.454 13.313 -0.857 204 HA LEU 30 HA LEU 30 3.645 13.341 1.835 205 1HB LEU 30 1HB LEU 30 2.944 10.976 0.078 206 HG LEU 30 HG LEU 30 0.889 12.212 0.933 207 1HD1 LEU 30 1HD1 LEU 30 -0.151 10.245 0.802 208 2HD1 LEU 30 2HD1 LEU 30 1.455 9.550 0.584 209 3HD1 LEU 30 3HD1 LEU 30 0.723 9.591 2.188 210 1HD2 LEU 30 1HD2 LEU 30 2.349 11.874 3.399 211 2HD2 LEU 30 2HD2 LEU 30 0.897 12.821 3.073 212 3HD2 LEU 30 3HD2 LEU 30 0.761 11.113 3.492 213 H GLY 31 H GLY 31 4.232 13.908 -1.207 214 1HA GLY 31 1HA GLY 31 6.047 12.268 -2.261 215 2HA GLY 31 2HA GLY 31 6.066 13.975 -2.510 216 H ALA 32 H ALA 32 6.964 15.086 -0.349 217 HA ALA 32 HA ALA 32 9.745 14.300 -0.412 218 1HB ALA 32 1HB ALA 32 8.424 16.724 -0.324 219 2HB ALA 32 2HB ALA 32 9.162 16.581 1.272 220 3HB ALA 32 3HB ALA 32 10.162 16.469 -0.175 221 H HIS 33 H HIS 33 8.554 15.866 2.447 222 HA HIS 33 HA HIS 33 8.688 15.372 4.649 223 1HB HIS 33 1HB HIS 33 8.057 12.595 3.650 224 HD1 HIS 33 HD1 HIS 33 6.587 14.985 2.687 225 HD2 HIS 33 HD2 HIS 33 5.632 13.064 6.233 226 HE1 HIS 33 HE1 HIS 33 4.163 15.570 3.143 227 HE2 HIS 33 HE2 HIS 33 3.721 14.627 5.444 228 H ALA 34 H ALA 34 9.909 12.185 4.261 229 HA ALA 34 HA ALA 34 12.538 12.791 3.823 230 1HB ALA 34 1HB ALA 34 12.268 12.295 6.762 231 2HB ALA 34 2HB ALA 34 13.629 12.974 5.870 232 3HB ALA 34 3HB ALA 34 12.165 13.927 6.104 233 H ASN 35 H ASN 35 13.521 10.949 6.042 234 HA ASN 35 HA ASN 35 13.584 8.604 4.481 235 1HB ASN 35 1HB ASN 35 15.220 9.624 6.332 236 1HD2 ASN 35 1HD2 ASN 35 17.072 8.852 5.703 237 2HD2 ASN 35 2HD2 ASN 35 17.390 7.229 5.186 238 H LEU 36 H LEU 36 13.215 6.381 5.414 239 HA LEU 36 HA LEU 36 11.080 5.939 7.236 240 1HB LEU 36 1HB LEU 36 9.627 4.960 5.344 241 HG LEU 36 HG LEU 36 11.405 6.791 3.756 242 1HD1 LEU 36 1HD1 LEU 36 12.254 4.872 3.104 243 2HD1 LEU 36 2HD1 LEU 36 10.941 3.940 3.851 244 3HD1 LEU 36 3HD1 LEU 36 10.731 4.610 2.227 245 1HD2 LEU 36 1HD2 LEU 36 9.649 7.579 2.644 246 2HD2 LEU 36 2HD2 LEU 36 9.278 5.931 2.135 247 3HD2 LEU 36 3HD2 LEU 36 8.552 6.584 3.604 248 H LYS 37 H LYS 37 10.643 3.495 7.308 249 HA LYS 37 HA LYS 37 12.686 2.246 5.669 250 1HB LYS 37 1HB LYS 37 13.288 0.642 7.325 251 1HG LYS 37 1HG LYS 37 11.110 1.846 8.989 252 1HD LYS 37 1HD LYS 37 13.619 0.377 9.794 253 1HE LYS 37 1HE LYS 37 11.176 0.874 11.487 254 1HZ LYS 37 1HZ LYS 37 12.537 0.592 13.186 255 2HZ LYS 37 2HZ LYS 37 13.868 0.394 12.151 256 3HZ LYS 37 3HZ LYS 37 12.940 -0.953 12.611 257 H LEU 38 H LEU 38 12.102 0.293 4.634 258 HA LEU 38 HA LEU 38 9.253 -0.415 4.890 259 1HB LEU 38 1HB LEU 38 11.118 0.021 2.612 260 HG LEU 38 HG LEU 38 9.523 1.251 1.607 261 1HD1 LEU 38 1HD1 LEU 38 7.589 0.393 0.943 262 2HD1 LEU 38 2HD1 LEU 38 8.070 -1.072 1.800 263 3HD1 LEU 38 3HD1 LEU 38 7.044 0.121 2.598 264 1HD2 LEU 38 1HD2 LEU 38 8.352 2.598 3.051 265 2HD2 LEU 38 2HD2 LEU 38 7.924 1.264 4.122 266 3HD2 LEU 38 3HD2 LEU 38 9.566 1.905 4.124 267 H THR 39 H THR 39 8.957 -2.468 5.627 268 HA THR 39 HA THR 39 11.041 -4.505 5.070 269 HB THR 39 HB THR 39 9.611 -3.973 7.677 270 HG1 THR 39 HG1 THR 39 12.249 -3.238 6.849 271 1HG2 THR 39 1HG2 THR 39 11.988 -5.391 8.173 272 2HG2 THR 39 2HG2 THR 39 11.333 -6.143 6.717 273 3HG2 THR 39 3HG2 THR 39 10.357 -6.060 8.185 274 H ILE 40 H ILE 40 9.738 -6.922 5.882 275 HA ILE 40 HA ILE 40 6.923 -6.712 5.653 276 HB ILE 40 HB ILE 40 6.495 -7.837 3.602 277 1HG1 ILE 40 1HG1 ILE 40 8.349 -9.302 3.491 278 1HG2 ILE 40 1HG2 ILE 40 8.128 -5.410 3.230 279 2HG2 ILE 40 2HG2 ILE 40 7.577 -6.306 1.812 280 3HG2 ILE 40 3HG2 ILE 40 6.403 -5.676 2.968 281 1HD1 ILE 40 1HD1 ILE 40 10.000 -7.039 3.555 282 2HD1 ILE 40 2HD1 ILE 40 10.473 -8.741 3.422 283 3HD1 ILE 40 3HD1 ILE 40 10.214 -7.785 1.963 284 H THR 41 H THR 41 6.630 -8.278 7.248 285 HA THR 41 HA THR 41 7.358 -10.972 6.577 286 HB THR 41 HB THR 41 9.518 -9.870 7.076 287 HG1 THR 41 HG1 THR 41 9.541 -12.077 7.212 288 1HG2 THR 41 1HG2 THR 41 9.454 -8.494 8.807 289 2HG2 THR 41 2HG2 THR 41 10.000 -9.942 9.674 290 3HG2 THR 41 3HG2 THR 41 8.297 -9.473 9.726 291 H GLN 42 H GLN 42 5.936 -12.366 7.464 292 HA GLN 42 HA GLN 42 5.330 -12.474 10.157 293 1HB GLN 42 1HB GLN 42 2.972 -11.790 10.255 294 1HG GLN 42 1HG GLN 42 3.484 -10.641 7.528 295 1HE2 GLN 42 1HE2 GLN 42 2.299 -9.887 10.526 296 2HE2 GLN 42 2HE2 GLN 42 1.072 -8.754 10.060 297 H GLU 43 H GLU 43 3.421 -13.011 7.145 298 HA GLU 43 HA GLU 43 3.516 -15.860 7.760 299 1HB GLU 43 1HB GLU 43 0.984 -14.404 6.976 300 1HG GLU 43 1HG GLU 43 1.692 -15.771 9.566 301 H GLY 44 H GLY 44 2.734 -17.149 5.591 302 1HA GLY 44 1HA GLY 44 4.115 -15.508 3.582 303 2HA GLY 44 2HA GLY 44 4.111 -17.264 3.590 304 H ASN 45 H ASN 45 2.307 -14.514 3.357 305 HA ASN 45 HA ASN 45 1.934 -14.624 0.728 306 1HB ASN 45 1HB ASN 45 -0.617 -14.518 0.528 307 1HD2 ASN 45 1HD2 ASN 45 0.394 -16.346 3.487 308 2HD2 ASN 45 2HD2 ASN 45 -1.142 -16.176 4.274 309 H LYS 46 H LYS 46 2.968 -12.804 1.488 310 HA LYS 46 HA LYS 46 1.332 -10.590 2.319 311 1HB LYS 46 1HB LYS 46 2.739 -12.325 4.272 312 1HG LYS 46 1HG LYS 46 1.256 -10.438 5.656 313 1HD LYS 46 1HD LYS 46 -0.004 -12.975 4.741 314 1HE LYS 46 1HE LYS 46 -0.417 -13.224 7.146 315 1HZ LYS 46 1HZ LYS 46 -2.036 -11.536 7.361 316 2HZ LYS 46 2HZ LYS 46 -1.966 -11.893 5.705 317 3HZ LYS 46 3HZ LYS 46 -1.218 -10.494 6.305 318 H PHE 47 H PHE 47 2.637 -8.806 2.986 319 HA PHE 47 HA PHE 47 5.445 -8.859 2.731 320 1HB PHE 47 1HB PHE 47 4.846 -6.632 1.072 321 HD1 PHE 47 HD1 PHE 47 4.884 -9.312 -1.179 322 HD2 PHE 47 HD2 PHE 47 2.204 -6.883 1.071 323 HE1 PHE 47 HE1 PHE 47 3.051 -9.922 -2.701 324 HE2 PHE 47 HE2 PHE 47 0.375 -7.495 -0.442 325 HZ PHE 47 HZ PHE 47 0.791 -9.014 -2.335 326 H THR 48 H THR 48 5.444 -8.101 4.828 327 HA THR 48 HA THR 48 4.129 -5.538 5.319 328 HB THR 48 HB THR 48 3.250 -8.092 6.653 329 HG1 THR 48 HG1 THR 48 2.153 -6.355 4.791 330 1HG2 THR 48 1HG2 THR 48 2.409 -5.225 7.094 331 2HG2 THR 48 2HG2 THR 48 3.374 -6.228 8.205 332 3HG2 THR 48 3HG2 THR 48 1.680 -6.646 7.870 333 H VAL 49 H VAL 49 5.777 -4.586 6.232 334 HA VAL 49 HA VAL 49 5.781 -4.783 8.902 335 HB VAL 49 HB VAL 49 8.315 -5.890 7.650 336 1HG1 VAL 49 1HG1 VAL 49 8.011 -4.436 10.257 337 2HG1 VAL 49 2HG1 VAL 49 9.233 -5.703 10.085 338 3HG1 VAL 49 3HG1 VAL 49 9.256 -4.302 9.007 339 1HG2 VAL 49 1HG2 VAL 49 6.264 -7.122 9.088 340 2HG2 VAL 49 2HG2 VAL 49 7.793 -7.803 8.459 341 3HG2 VAL 49 3HG2 VAL 49 7.718 -7.141 10.113 342 H LYS 50 H LYS 50 6.203 -2.363 9.288 343 HA LYS 50 HA LYS 50 8.712 -1.596 8.538 344 1HB LYS 50 1HB LYS 50 7.962 0.277 6.811 345 1HG LYS 50 1HG LYS 50 5.962 -1.831 6.566 346 1HD LYS 50 1HD LYS 50 7.237 -0.602 4.141 347 1HE LYS 50 1HE LYS 50 5.769 -2.411 3.040 348 1HZ LYS 50 1HZ LYS 50 4.203 -0.192 4.215 349 2HZ LYS 50 2HZ LYS 50 4.089 -0.877 2.670 350 3HZ LYS 50 3HZ LYS 50 5.407 0.103 3.059 351 H GLU 51 H GLU 51 8.917 -0.552 10.458 352 HA GLU 51 HA GLU 51 7.052 1.742 10.824 353 1HB GLU 51 1HB GLU 51 8.755 0.356 12.934 354 1HG GLU 51 1HG GLU 51 6.365 -0.350 13.761 355 H SER 52 H SER 52 8.443 3.018 9.390 356 HA SER 52 HA SER 52 9.795 4.767 11.091 357 1HB SER 52 1HB SER 52 11.901 4.097 10.953 358 HG SER 52 HG SER 52 12.457 3.938 8.357 359 H SER 53 H SER 53 9.184 6.722 10.407 360 HA SER 53 HA SER 53 9.378 7.512 7.675 361 1HB SER 53 1HB SER 53 6.655 6.797 8.741 362 HG SER 53 HG SER 53 8.041 5.536 7.147 363 H ASN 54 H ASN 54 10.347 9.370 8.221 364 HA ASN 54 HA ASN 54 10.573 11.541 8.764 365 1HB ASN 54 1HB ASN 54 8.929 12.375 7.521 366 1HD2 ASN 54 1HD2 ASN 54 8.670 14.378 8.286 367 2HD2 ASN 54 2HD2 ASN 54 7.495 14.833 9.477 368 H PHE 55 H PHE 55 8.066 10.199 10.954 369 HA PHE 55 HA PHE 55 9.484 11.167 13.267 370 1HB PHE 55 1HB PHE 55 8.346 13.230 12.422 371 HD1 PHE 55 HD1 PHE 55 9.855 12.797 14.741 372 HD2 PHE 55 HD2 PHE 55 5.635 13.234 14.408 373 HE1 PHE 55 HE1 PHE 55 9.755 13.579 17.071 374 HE2 PHE 55 HE2 PHE 55 5.529 14.017 16.736 375 HZ PHE 55 HZ PHE 55 7.591 14.191 18.072 376 H ARG 56 H ARG 56 6.488 9.961 11.902 377 HA ARG 56 HA ARG 56 6.118 8.238 14.260 378 1HB ARG 56 1HB ARG 56 3.849 7.750 13.291 379 1HG ARG 56 1HG ARG 56 4.501 8.699 10.966 380 1HD ARG 56 1HD ARG 56 3.648 11.161 12.472 381 HE ARG 56 HE ARG 56 2.913 10.558 9.855 382 1HH1 ARG 56 1HH1 ARG 56 4.647 13.115 11.511 383 2HH1 ARG 56 2HH1 ARG 56 4.113 14.348 10.417 384 1HH2 ARG 56 1HH2 ARG 56 2.187 12.178 8.455 385 2HH2 ARG 56 2HH2 ARG 56 2.698 13.823 8.690 386 H ASN 57 H ASN 57 5.557 5.876 13.669 387 HA ASN 57 HA ASN 57 6.492 5.027 11.101 388 1HB ASN 57 1HB ASN 57 8.525 3.858 12.176 389 1HD2 ASN 57 1HD2 ASN 57 9.523 6.818 13.111 390 2HD2 ASN 57 2HD2 ASN 57 9.619 6.577 14.830 391 H ILE 58 H ILE 58 5.101 3.613 10.799 392 HA ILE 58 HA ILE 58 5.572 1.150 11.712 393 HB ILE 58 HB ILE 58 4.606 1.533 13.795 394 1HG1 ILE 58 1HG1 ILE 58 2.445 0.214 12.106 395 1HG2 ILE 58 1HG2 ILE 58 2.147 2.656 12.467 396 2HG2 ILE 58 2HG2 ILE 58 2.480 2.564 14.199 397 3HG2 ILE 58 3HG2 ILE 58 3.453 3.632 13.168 398 1HD1 ILE 58 1HD1 ILE 58 2.108 0.462 14.625 399 2HD1 ILE 58 2HD1 ILE 58 2.005 -1.166 13.951 400 3HD1 ILE 58 3HD1 ILE 58 3.471 -0.650 14.787 401 H ASP 59 H ASP 59 4.941 -0.117 10.134 402 HA ASP 59 HA ASP 59 2.401 0.398 8.940 403 1HB ASP 59 1HB ASP 59 3.909 1.757 7.552 404 H VAL 60 H VAL 60 1.887 -1.498 9.859 405 HA VAL 60 HA VAL 60 2.890 -3.851 8.401 406 HB VAL 60 HB VAL 60 2.607 -5.196 10.482 407 1HG1 VAL 60 1HG1 VAL 60 4.769 -4.870 11.068 408 2HG1 VAL 60 2HG1 VAL 60 4.749 -3.828 9.644 409 3HG1 VAL 60 3HG1 VAL 60 4.566 -3.121 11.251 410 1HG2 VAL 60 1HG2 VAL 60 2.321 -4.250 12.607 411 2HG2 VAL 60 2HG2 VAL 60 2.654 -2.619 12.028 412 3HG2 VAL 60 3HG2 VAL 60 1.133 -3.413 11.610 413 H VAL 61 H VAL 61 1.075 -3.837 7.067 414 HA VAL 61 HA VAL 61 -1.218 -5.215 8.041 415 HB VAL 61 HB VAL 61 -1.817 -2.463 6.891 416 1HG1 VAL 61 1HG1 VAL 61 -3.650 -4.635 7.890 417 2HG1 VAL 61 2HG1 VAL 61 -4.158 -3.027 7.370 418 3HG1 VAL 61 3HG1 VAL 61 -3.419 -4.134 6.215 419 1HG2 VAL 61 1HG2 VAL 61 -1.472 -3.224 9.655 420 2HG2 VAL 61 2HG2 VAL 61 -1.717 -1.629 8.945 421 3HG2 VAL 61 3HG2 VAL 61 -3.106 -2.637 9.345 422 H PHE 62 H PHE 62 -0.883 -6.700 6.438 423 HA PHE 62 HA PHE 62 -1.845 -5.937 3.865 424 1HB PHE 62 1HB PHE 62 0.908 -7.164 3.898 425 HD1 PHE 62 HD1 PHE 62 0.299 -5.028 1.191 426 HD2 PHE 62 HD2 PHE 62 1.523 -5.042 5.257 427 HE1 PHE 62 HE1 PHE 62 1.522 -2.921 0.832 428 HE2 PHE 62 HE2 PHE 62 2.719 -2.961 4.929 429 HZ PHE 62 HZ PHE 62 2.749 -1.881 2.698 430 H GLU 63 H GLU 63 -1.959 -7.789 2.426 431 HA GLU 63 HA GLU 63 -2.246 -10.396 3.689 432 1HB GLU 63 1HB GLU 63 -4.384 -8.866 3.878 433 1HG GLU 63 1HG GLU 63 -5.865 -10.749 3.457 434 H LEU 64 H LEU 64 -2.812 -11.949 1.998 435 HA LEU 64 HA LEU 64 -1.194 -11.836 -0.243 436 1HB LEU 64 1HB LEU 64 -2.201 -13.856 0.581 437 HG LEU 64 HG LEU 64 -1.860 -13.505 -2.004 438 1HD1 LEU 64 1HD1 LEU 64 -2.314 -15.660 -0.346 439 2HD1 LEU 64 2HD1 LEU 64 -3.513 -15.879 -1.621 440 3HD1 LEU 64 3HD1 LEU 64 -1.804 -15.743 -2.033 441 1HD2 LEU 64 1HD2 LEU 64 -3.980 -14.164 -3.196 442 2HD2 LEU 64 2HD2 LEU 64 -4.851 -13.775 -1.712 443 3HD2 LEU 64 3HD2 LEU 64 -3.955 -12.518 -2.566 444 H GLY 65 H GLY 65 -4.231 -10.429 0.521 445 1HA GLY 65 1HA GLY 65 -3.929 -8.523 -1.568 446 2HA GLY 65 2HA GLY 65 -5.392 -9.470 -1.808 447 H VAL 66 H VAL 66 -3.737 -7.222 0.290 448 HA VAL 66 HA VAL 66 -5.947 -7.099 2.160 449 HB VAL 66 HB VAL 66 -3.370 -7.143 2.601 450 1HG1 VAL 66 1HG1 VAL 66 -3.572 -4.683 1.321 451 2HG1 VAL 66 2HG1 VAL 66 -3.347 -4.297 3.039 452 3HG1 VAL 66 3HG1 VAL 66 -2.175 -5.326 2.208 453 1HG2 VAL 66 1HG2 VAL 66 -4.911 -7.198 4.380 454 2HG2 VAL 66 2HG2 VAL 66 -3.780 -5.893 4.749 455 3HG2 VAL 66 3HG2 VAL 66 -5.389 -5.517 4.123 456 H ASP 67 H ASP 67 -6.919 -5.063 2.878 457 HA ASP 67 HA ASP 67 -6.640 -2.928 0.915 458 1HB ASP 67 1HB ASP 67 -8.748 -1.984 1.480 459 H PHE 68 H PHE 68 -6.979 -0.813 1.651 460 HA PHE 68 HA PHE 68 -5.985 -0.102 4.301 461 1HB PHE 68 1HB PHE 68 -4.957 0.838 1.591 462 HD1 PHE 68 HD1 PHE 68 -2.667 1.810 3.897 463 HD2 PHE 68 HD2 PHE 68 -4.163 -1.782 2.183 464 HE1 PHE 68 HE1 PHE 68 -0.537 0.691 4.399 465 HE2 PHE 68 HE2 PHE 68 -2.038 -2.909 2.688 466 HZ PHE 68 HZ PHE 68 -0.221 -1.673 3.796 467 H ALA 69 H ALA 69 -6.888 1.913 4.935 468 HA ALA 69 HA ALA 69 -7.760 3.672 3.019 469 1HB ALA 69 1HB ALA 69 -10.011 2.113 4.273 470 2HB ALA 69 2HB ALA 69 -10.239 3.686 3.502 471 3HB ALA 69 3HB ALA 69 -9.613 2.323 2.552 472 H TYR 70 H TYR 70 -6.686 5.107 4.112 473 HA TYR 70 HA TYR 70 -7.967 6.674 6.042 474 1HB TYR 70 1HB TYR 70 -5.946 6.547 7.606 475 HD1 TYR 70 HD1 TYR 70 -6.496 3.046 7.653 476 HD2 TYR 70 HD2 TYR 70 -3.806 6.054 6.305 477 HE1 TYR 70 HE1 TYR 70 -4.704 1.371 7.511 478 HE2 TYR 70 HE2 TYR 70 -2.007 4.385 6.153 479 HH TYR 70 HH TYR 70 -1.585 2.121 6.106 480 H SER 71 H SER 71 -6.635 8.688 6.342 481 HA SER 71 HA SER 71 -5.260 8.901 3.819 482 1HB SER 71 1HB SER 71 -7.148 10.397 4.118 483 HG SER 71 HG SER 71 -6.099 11.691 2.927 484 H LEU 72 H LEU 72 -3.282 8.707 3.858 485 HA LEU 72 HA LEU 72 -1.623 8.208 5.823 486 1HB LEU 72 1HB LEU 72 -1.132 9.470 3.211 487 HG LEU 72 HG LEU 72 0.750 7.722 3.178 488 1HD1 LEU 72 1HD1 LEU 72 0.565 5.868 4.685 489 2HD1 LEU 72 2HD1 LEU 72 0.759 7.354 5.614 490 3HD1 LEU 72 3HD1 LEU 72 -0.829 6.599 5.478 491 1HD2 LEU 72 1HD2 LEU 72 -1.631 6.080 3.334 492 2HD2 LEU 72 2HD2 LEU 72 -1.917 7.576 2.447 493 3HD2 LEU 72 3HD2 LEU 72 -0.625 6.489 1.949 494 H ALA 73 H ALA 73 -2.487 11.515 4.983 495 HA ALA 73 HA ALA 73 -1.328 12.337 7.551 496 1HB ALA 73 1HB ALA 73 -1.375 14.323 5.342 497 2HB ALA 73 2HB ALA 73 -0.303 14.205 6.737 498 3HB ALA 73 3HB ALA 73 -0.093 13.112 5.368 499 H ASP 74 H ASP 74 -3.758 12.999 5.055 500 HA ASP 74 HA ASP 74 -5.052 14.966 6.725 501 1HB ASP 74 1HB ASP 74 -5.478 13.999 3.916 502 H GLY 75 H GLY 75 -7.714 14.398 5.519 503 1HA GLY 75 1HA GLY 75 -8.636 12.706 7.704 504 2HA GLY 75 2HA GLY 75 -9.627 13.762 6.706 505 H THR 76 H THR 76 -7.897 10.726 6.757 506 HA THR 76 HA THR 76 -8.015 8.804 5.591 507 HB THR 76 HB THR 76 -10.435 7.942 5.323 508 HG1 THR 76 HG1 THR 76 -11.005 10.459 5.779 509 1HG2 THR 76 1HG2 THR 76 -9.271 7.085 7.127 510 2HG2 THR 76 2HG2 THR 76 -10.637 7.880 7.915 511 3HG2 THR 76 3HG2 THR 76 -9.060 8.669 7.874 512 H GLU 77 H GLU 77 -7.364 8.422 3.729 513 HA GLU 77 HA GLU 77 -8.975 8.407 1.474 514 1HB GLU 77 1HB GLU 77 -8.328 10.174 0.190 515 1HG GLU 77 1HG GLU 77 -6.040 10.738 2.020 516 H LEU 78 H LEU 78 -8.371 6.362 1.280 517 HA LEU 78 HA LEU 78 -5.959 5.831 -0.027 518 1HB LEU 78 1HB LEU 78 -5.011 6.176 2.148 519 HG LEU 78 HG LEU 78 -5.088 3.213 1.767 520 1HD1 LEU 78 1HD1 LEU 78 -2.750 3.750 0.792 521 2HD1 LEU 78 2HD1 LEU 78 -4.167 4.023 -0.222 522 3HD1 LEU 78 3HD1 LEU 78 -3.388 5.383 0.586 523 1HD2 LEU 78 1HD2 LEU 78 -3.154 3.134 3.143 524 2HD2 LEU 78 2HD2 LEU 78 -3.046 4.894 3.189 525 3HD2 LEU 78 3HD2 LEU 78 -4.375 4.071 4.006 526 H THR 79 H THR 79 -5.508 3.424 0.004 527 HA THR 79 HA THR 79 -8.034 2.041 -0.533 528 HB THR 79 HB THR 79 -7.500 1.679 -2.737 529 HG1 THR 79 HG1 THR 79 -5.303 0.806 -1.763 530 1HG2 THR 79 1HG2 THR 79 -7.198 4.185 -2.098 531 2HG2 THR 79 2HG2 THR 79 -6.801 3.647 -3.732 532 3HG2 THR 79 3HG2 THR 79 -5.515 3.913 -2.547 533 H GLY 80 H GLY 80 -7.793 -0.154 -0.775 534 1HA GLY 80 1HA GLY 80 -5.133 -0.933 -0.463 535 2HA GLY 80 2HA GLY 80 -6.194 -1.611 0.698 536 H THR 81 H THR 81 -4.536 -2.204 -1.525 537 HA THR 81 HA THR 81 -5.271 -4.673 -1.217 538 HB THR 81 HB THR 81 -5.299 -4.499 -4.195 539 HG1 THR 81 HG1 THR 81 -7.256 -3.589 -4.100 540 1HG2 THR 81 1HG2 THR 81 -6.287 -6.373 -2.050 541 2HG2 THR 81 2HG2 THR 81 -5.009 -6.649 -3.243 542 3HG2 THR 81 3HG2 THR 81 -6.698 -6.594 -3.750 543 H TRP 82 H TRP 82 -3.619 -5.922 -1.647 544 HA TRP 82 HA TRP 82 -1.552 -4.970 -3.355 545 1HB TRP 82 1HB TRP 82 -1.042 -5.721 -0.437 546 HD1 TRP 82 HD1 TRP 82 -2.519 -3.594 0.284 547 HE1 TRP 82 HE1 TRP 82 -2.121 -1.095 0.057 548 HE3 TRP 82 HE3 TRP 82 1.456 -3.756 -2.847 549 HZ2 TRP 82 HZ2 TRP 82 -0.264 0.657 -1.285 550 HZ3 TRP 82 HZ3 TRP 82 2.526 -1.669 -3.559 551 HH2 TRP 82 HH2 TRP 82 1.649 0.490 -2.850 552 H THR 83 H THR 83 -1.658 -6.741 -4.697 553 HA THR 83 HA THR 83 -1.833 -9.371 -3.409 554 HB THR 83 HB THR 83 -2.929 -8.955 -6.131 555 HG1 THR 83 HG1 THR 83 -4.290 -7.474 -5.436 556 1HG2 THR 83 1HG2 THR 83 -2.866 -11.108 -4.609 557 2HG2 THR 83 2HG2 THR 83 -4.224 -10.770 -5.679 558 3HG2 THR 83 3HG2 THR 83 -4.342 -10.397 -3.960 559 H MET 84 H MET 84 0.250 -10.001 -3.583 560 HA MET 84 HA MET 84 0.946 -11.024 -6.154 561 1HB MET 84 1HB MET 84 2.619 -8.884 -5.044 562 1HG MET 84 1HG MET 84 1.902 -8.330 -7.044 563 1HE MET 84 1HE MET 84 1.819 -12.708 -8.598 564 2HE MET 84 2HE MET 84 3.295 -11.761 -8.785 565 3HE MET 84 3HE MET 84 2.700 -12.162 -7.172 566 H GLU 85 H GLU 85 3.284 -11.858 -5.875 567 HA GLU 85 HA GLU 85 3.232 -13.525 -3.513 568 1HB GLU 85 1HB GLU 85 4.921 -13.834 -6.002 569 1HG GLU 85 1HG GLU 85 2.583 -14.288 -6.526 570 H GLY 86 H GLY 86 5.566 -13.777 -2.599 571 1HA GLY 86 1HA GLY 86 6.278 -11.039 -2.152 572 2HA GLY 86 2HA GLY 86 6.867 -12.428 -1.240 573 H ASN 87 H ASN 87 7.370 -10.208 -3.599 574 HA ASN 87 HA ASN 87 10.010 -10.172 -4.098 575 1HB ASN 87 1HB ASN 87 8.759 -12.471 -5.515 576 1HD2 ASN 87 1HD2 ASN 87 11.136 -11.100 -3.603 577 2HD2 ASN 87 2HD2 ASN 87 12.303 -12.376 -3.682 578 H LYS 88 H LYS 88 6.740 -9.677 -4.861 579 HA LYS 88 HA LYS 88 7.321 -7.377 -6.422 580 1HB LYS 88 1HB LYS 88 6.565 -8.013 -8.504 581 1HG LYS 88 1HG LYS 88 4.432 -9.043 -7.912 582 1HD LYS 88 1HD LYS 88 4.808 -10.540 -6.176 583 1HE LYS 88 1HE LYS 88 7.257 -10.962 -6.640 584 1HZ LYS 88 1HZ LYS 88 6.369 -13.189 -8.368 585 2HZ LYS 88 2HZ LYS 88 7.949 -12.626 -8.099 586 3HZ LYS 88 3HZ LYS 88 6.858 -11.702 -9.017 587 H LEU 89 H LEU 89 5.432 -6.138 -6.734 588 HA LEU 89 HA LEU 89 3.258 -7.016 -4.992 589 1HB LEU 89 1HB LEU 89 4.650 -4.426 -5.500 590 HG LEU 89 HG LEU 89 5.411 -5.311 -3.519 591 1HD1 LEU 89 1HD1 LEU 89 3.446 -3.070 -3.329 592 2HD1 LEU 89 2HD1 LEU 89 4.191 -3.667 -1.846 593 3HD1 LEU 89 3HD1 LEU 89 5.211 -3.046 -3.158 594 1HD2 LEU 89 1HD2 LEU 89 4.161 -6.408 -1.924 595 2HD2 LEU 89 2HD2 LEU 89 2.696 -5.493 -2.279 596 3HD2 LEU 89 3HD2 LEU 89 3.207 -6.794 -3.360 597 H VAL 90 H VAL 90 1.080 -6.688 -5.712 598 HA VAL 90 HA VAL 90 0.589 -4.655 -7.548 599 HB VAL 90 HB VAL 90 1.536 -6.251 -9.186 600 1HG1 VAL 90 1HG1 VAL 90 0.752 -8.358 -8.185 601 2HG1 VAL 90 2HG1 VAL 90 -0.902 -7.931 -8.668 602 3HG1 VAL 90 3HG1 VAL 90 0.328 -8.209 -9.902 603 1HG2 VAL 90 1HG2 VAL 90 0.137 -5.556 -10.845 604 2HG2 VAL 90 2HG2 VAL 90 -1.322 -5.960 -9.936 605 3HG2 VAL 90 3HG2 VAL 90 -0.401 -4.505 -9.524 606 H GLY 91 H GLY 91 -1.043 -4.002 -6.407 607 1HA GLY 91 1HA GLY 91 -3.533 -5.442 -6.273 608 2HA GLY 91 2HA GLY 91 -2.634 -5.431 -4.754 609 H LYS 92 H LYS 92 -5.210 -4.118 -5.568 610 HA LYS 92 HA LYS 92 -4.477 -1.546 -4.583 611 1HB LYS 92 1HB LYS 92 -3.770 -1.234 -6.726 612 1HG LYS 92 1HG LYS 92 -5.875 0.247 -5.908 613 1HD LYS 92 1HD LYS 92 -7.163 -1.365 -7.579 614 1HE LYS 92 1HE LYS 92 -7.339 0.056 -9.702 615 1HZ LYS 92 1HZ LYS 92 -6.057 -1.486 -10.681 616 2HZ LYS 92 2HZ LYS 92 -5.796 -2.133 -9.131 617 3HZ LYS 92 3HZ LYS 92 -4.686 -1.032 -9.798 618 H PHE 93 H PHE 93 -6.057 -0.055 -4.313 619 HA PHE 93 HA PHE 93 -8.800 -0.795 -4.686 620 1HB PHE 93 1HB PHE 93 -7.662 -0.842 -2.042 621 HD1 PHE 93 HD1 PHE 93 -10.718 -0.306 -1.063 622 HD2 PHE 93 HD2 PHE 93 -8.797 -2.751 -3.948 623 HE1 PHE 93 HE1 PHE 93 -12.583 -1.906 -0.923 624 HE2 PHE 93 HE2 PHE 93 -10.659 -4.370 -3.823 625 HZ PHE 93 HZ PHE 93 -12.558 -3.945 -2.307 626 H LYS 94 H LYS 94 -10.120 1.066 -3.850 627 HA LYS 94 HA LYS 94 -8.937 3.383 -5.015 628 1HB LYS 94 1HB LYS 94 -10.954 4.060 -5.579 629 1HG LYS 94 1HG LYS 94 -11.771 4.082 -3.226 630 1HD LYS 94 1HD LYS 94 -13.182 1.506 -3.840 631 1HE LYS 94 1HE LYS 94 -13.642 3.156 -1.868 632 1HZ LYS 94 1HZ LYS 94 -11.033 2.445 -1.233 633 2HZ LYS 94 2HZ LYS 94 -12.022 1.594 -0.149 634 3HZ LYS 94 3HZ LYS 94 -12.143 3.278 -0.253 635 H ARG 95 H ARG 95 -9.017 5.306 -3.989 636 HA ARG 95 HA ARG 95 -8.349 5.208 -1.331 637 1HB ARG 95 1HB ARG 95 -8.001 7.461 -1.355 638 1HG ARG 95 1HG ARG 95 -9.792 8.106 -3.641 639 1HD ARG 95 1HD ARG 95 -9.729 10.277 -2.551 640 HE ARG 95 HE ARG 95 -7.797 10.442 -3.749 641 1HH1 ARG 95 1HH1 ARG 95 -7.113 8.531 -0.884 642 2HH1 ARG 95 2HH1 ARG 95 -5.402 8.526 -1.155 643 1HH2 ARG 95 1HH2 ARG 95 -5.555 10.438 -4.078 644 2HH2 ARG 95 2HH2 ARG 95 -4.522 9.595 -2.971 645 H VAL 96 H VAL 96 -9.163 7.111 0.104 646 HA VAL 96 HA VAL 96 -11.914 6.379 0.867 647 HB VAL 96 HB VAL 96 -9.964 8.058 2.464 648 1HG1 VAL 96 1HG1 VAL 96 -11.634 8.298 3.925 649 2HG1 VAL 96 2HG1 VAL 96 -12.724 7.531 2.770 650 3HG1 VAL 96 3HG1 VAL 96 -11.902 6.556 3.988 651 1HG2 VAL 96 1HG2 VAL 96 -10.160 5.653 3.765 652 2HG2 VAL 96 2HG2 VAL 96 -10.133 5.152 2.074 653 3HG2 VAL 96 3HG2 VAL 96 -8.822 6.141 2.720 654 H ASP 97 H ASP 97 -9.943 9.222 0.045 655 HA ASP 97 HA ASP 97 -11.669 11.183 0.985 656 1HB ASP 97 1HB ASP 97 -9.721 12.146 0.275 657 H ASN 98 H ASN 98 -11.807 9.401 -2.023 658 HA ASN 98 HA ASN 98 -14.656 9.702 -1.861 659 1HB ASN 98 1HB ASN 98 -13.969 11.634 -3.365 660 1HD2 ASN 98 1HD2 ASN 98 -15.916 12.350 -3.741 661 2HD2 ASN 98 2HD2 ASN 98 -17.178 11.511 -4.578 662 H GLY 99 H GLY 99 -12.626 8.871 -4.586 663 1HA GLY 99 1HA GLY 99 -12.137 6.252 -3.834 664 2HA GLY 99 2HA GLY 99 -13.534 6.219 -4.923 665 H LYS 100 H LYS 100 -10.233 6.330 -4.570 666 HA LYS 100 HA LYS 100 -10.051 6.408 -7.470 667 1HB LYS 100 1HB LYS 100 -7.806 7.457 -5.866 668 1HG LYS 100 1HG LYS 100 -9.487 9.278 -7.491 669 1HD LYS 100 1HD LYS 100 -7.960 9.591 -4.965 670 1HE LYS 100 1HE LYS 100 -9.715 11.318 -5.509 671 1HZ LYS 100 1HZ LYS 100 -9.209 12.909 -7.222 672 2HZ LYS 100 2HZ LYS 100 -9.366 11.372 -7.920 673 3HZ LYS 100 3HZ LYS 100 -7.829 12.040 -7.689 674 H GLU 101 H GLU 101 -9.827 4.354 -7.843 675 HA GLU 101 HA GLU 101 -8.110 2.815 -6.124 676 1HB GLU 101 1HB GLU 101 -9.140 0.853 -7.057 677 1HG GLU 101 1HG GLU 101 -10.570 2.655 -8.983 678 H LEU 102 H LEU 102 -6.059 2.783 -6.758 679 HA LEU 102 HA LEU 102 -5.146 1.701 -9.108 680 1HB LEU 102 1HB LEU 102 -5.192 4.665 -9.115 681 HG LEU 102 HG LEU 102 -6.651 3.809 -10.693 682 1HD1 LEU 102 1HD1 LEU 102 -4.355 3.782 -12.557 683 2HD1 LEU 102 2HD1 LEU 102 -5.863 4.695 -12.622 684 3HD1 LEU 102 3HD1 LEU 102 -4.555 5.227 -11.567 685 1HD2 LEU 102 1HD2 LEU 102 -4.723 1.861 -11.872 686 2HD2 LEU 102 2HD2 LEU 102 -5.484 1.450 -10.319 687 3HD2 LEU 102 3HD2 LEU 102 -6.482 1.778 -11.750 688 H ILE 103 H ILE 103 -3.449 0.699 -8.455 689 HA ILE 103 HA ILE 103 -1.220 1.904 -7.347 690 HB ILE 103 HB ILE 103 -3.188 0.854 -5.337 691 1HG1 ILE 103 1HG1 ILE 103 -0.712 2.460 -4.699 692 1HG2 ILE 103 1HG2 ILE 103 -1.843 -0.916 -4.834 693 2HG2 ILE 103 2HG2 ILE 103 -0.381 -0.145 -5.444 694 3HG2 ILE 103 3HG2 ILE 103 -1.028 0.315 -3.870 695 1HD1 ILE 103 1HD1 ILE 103 -2.385 1.825 -2.964 696 2HD1 ILE 103 2HD1 ILE 103 -2.068 3.556 -3.117 697 3HD1 ILE 103 3HD1 ILE 103 -3.540 2.863 -3.803 698 H ALA 104 H ALA 104 0.402 0.481 -8.242 699 HA ALA 104 HA ALA 104 0.221 -2.288 -7.666 700 1HB ALA 104 1HB ALA 104 -0.037 -2.981 -10.133 701 2HB ALA 104 2HB ALA 104 -1.441 -2.585 -9.132 702 3HB ALA 104 3HB ALA 104 -0.822 -1.403 -10.281 703 H VAL 105 H VAL 105 2.327 -2.394 -7.172 704 HA VAL 105 HA VAL 105 4.032 -3.095 -9.267 705 HB VAL 105 HB VAL 105 4.098 -0.529 -9.431 706 1HG1 VAL 105 1HG1 VAL 105 4.250 -0.710 -6.779 707 2HG1 VAL 105 2HG1 VAL 105 5.963 -0.461 -7.180 708 3HG1 VAL 105 3HG1 VAL 105 4.754 0.715 -7.711 709 1HG2 VAL 105 1HG2 VAL 105 6.682 -1.992 -8.884 710 2HG2 VAL 105 2HG2 VAL 105 5.845 -1.908 -10.435 711 3HG2 VAL 105 3HG2 VAL 105 6.539 -0.449 -9.728 712 H ARG 106 H ARG 106 6.174 -3.819 -8.314 713 HA ARG 106 HA ARG 106 5.976 -3.556 -5.445 714 1HB ARG 106 1HB ARG 106 6.381 -5.955 -5.828 715 1HG ARG 106 1HG ARG 106 8.922 -5.281 -4.656 716 1HD ARG 106 1HD ARG 106 6.289 -6.457 -3.827 717 HE ARG 106 HE ARG 106 8.075 -6.997 -1.778 718 1HH1 ARG 106 1HH1 ARG 106 6.768 -3.993 -3.030 719 2HH1 ARG 106 2HH1 ARG 106 6.767 -3.181 -1.455 720 1HH2 ARG 106 1HH2 ARG 106 7.900 -5.922 0.347 721 2HH2 ARG 106 2HH2 ARG 106 7.269 -4.253 0.370 722 H GLU 107 H GLU 107 7.740 -2.971 -4.491 723 HA GLU 107 HA GLU 107 9.526 -1.303 -5.978 724 1HB GLU 107 1HB GLU 107 10.080 -1.287 -3.203 725 1HG GLU 107 1HG GLU 107 7.145 -0.954 -3.553 726 H ILE 108 H ILE 108 10.984 -2.704 -6.879 727 HA ILE 108 HA ILE 108 13.000 -3.880 -5.314 728 HB ILE 108 HB ILE 108 11.225 -5.817 -6.855 729 1HG1 ILE 108 1HG1 ILE 108 11.722 -5.479 -3.903 730 1HG2 ILE 108 1HG2 ILE 108 12.810 -7.470 -6.546 731 2HG2 ILE 108 2HG2 ILE 108 13.753 -6.040 -6.972 732 3HG2 ILE 108 3HG2 ILE 108 13.654 -6.561 -5.291 733 1HD1 ILE 108 1HD1 ILE 108 11.813 -7.688 -3.634 734 2HD1 ILE 108 2HD1 ILE 108 10.103 -7.668 -4.072 735 3HD1 ILE 108 3HD1 ILE 108 11.324 -8.006 -5.300 736 H SER 109 H SER 109 14.838 -3.848 -6.578 737 HA SER 109 HA SER 109 14.838 -4.642 -9.295 738 1HB SER 109 1HB SER 109 15.225 -1.666 -8.826 739 HG SER 109 HG SER 109 13.104 -3.077 -9.595 740 H GLY 110 H GLY 110 16.598 -5.907 -8.913 741 1HA GLY 110 1HA GLY 110 18.729 -6.528 -8.237 742 2HA GLY 110 2HA GLY 110 19.193 -4.821 -8.309 743 H ASN 111 H ASN 111 19.022 -3.561 -6.586 744 HA ASN 111 HA ASN 111 17.200 -4.258 -4.580 745 1HB ASN 111 1HB ASN 111 18.706 -3.875 -2.588 746 1HD2 ASN 111 1HD2 ASN 111 20.417 -2.722 -2.084 747 2HD2 ASN 111 2HD2 ASN 111 21.957 -2.791 -2.866 748 H GLU 112 H GLU 112 16.145 -2.617 -5.112 749 HA GLU 112 HA GLU 112 16.572 -0.119 -3.934 750 1HB GLU 112 1HB GLU 112 16.707 1.326 -5.851 751 1HG GLU 112 1HG GLU 112 16.382 -1.163 -7.471 752 H LEU 113 H LEU 113 14.405 0.931 -3.900 753 HA LEU 113 HA LEU 113 12.502 -1.031 -4.981 754 1HB LEU 113 1HB LEU 113 12.830 0.222 -2.319 755 HG LEU 113 HG LEU 113 11.711 -2.343 -3.409 756 1HD1 LEU 113 1HD1 LEU 113 13.917 -2.315 -1.494 757 2HD1 LEU 113 2HD1 LEU 113 13.569 -3.407 -2.838 758 3HD1 LEU 113 3HD1 LEU 113 14.247 -1.805 -3.150 759 1HD2 LEU 113 1HD2 LEU 113 10.700 -1.215 -1.200 760 2HD2 LEU 113 2HD2 LEU 113 10.763 -2.949 -1.507 761 3HD2 LEU 113 3HD2 LEU 113 12.012 -2.183 -0.526 762 H ILE 114 H ILE 114 10.374 -0.319 -5.383 763 HA ILE 114 HA ILE 114 10.092 2.445 -6.236 764 HB ILE 114 HB ILE 114 9.386 0.143 -8.043 765 1HG1 ILE 114 1HG1 ILE 114 11.795 0.118 -7.652 766 1HG2 ILE 114 1HG2 ILE 114 8.476 1.722 -9.329 767 2HG2 ILE 114 2HG2 ILE 114 8.853 2.919 -8.090 768 3HG2 ILE 114 3HG2 ILE 114 10.000 2.605 -9.392 769 1HD1 ILE 114 1HD1 ILE 114 13.237 1.936 -8.440 770 2HD1 ILE 114 2HD1 ILE 114 11.814 2.935 -8.738 771 3HD1 ILE 114 3HD1 ILE 114 12.226 2.457 -7.081 772 H GLN 115 H GLN 115 8.498 2.879 -5.118 773 HA GLN 115 HA GLN 115 6.275 1.011 -4.950 774 1HB GLN 115 1HB GLN 115 6.414 3.442 -3.254 775 1HG GLN 115 1HG GLN 115 8.233 1.090 -2.600 776 1HE2 GLN 115 1HE2 GLN 115 9.313 4.190 -1.998 777 2HE2 GLN 115 2HE2 GLN 115 8.878 4.312 -0.333 778 H THR 116 H THR 116 5.172 1.446 -6.705 779 HA THR 116 HA THR 116 4.804 4.143 -7.664 780 HB THR 116 HB THR 116 3.974 1.542 -8.966 781 HG1 THR 116 HG1 THR 116 6.450 2.606 -8.572 782 1HG2 THR 116 1HG2 THR 116 3.715 2.729 -10.934 783 2HG2 THR 116 2HG2 THR 116 4.736 4.059 -10.378 784 3HG2 THR 116 3HG2 THR 116 3.107 3.863 -9.728 785 H TYR 117 H TYR 117 3.108 5.088 -6.704 786 HA TYR 117 HA TYR 117 0.745 3.441 -6.182 787 1HB TYR 117 1HB TYR 117 1.093 6.245 -5.125 788 HD1 TYR 117 HD1 TYR 117 0.891 3.830 -2.589 789 HD2 TYR 117 HD2 TYR 117 3.800 5.864 -4.991 790 HE1 TYR 117 HE1 TYR 117 2.620 3.409 -0.890 791 HE2 TYR 117 HE2 TYR 117 5.502 5.424 -3.294 792 HH TYR 117 HH TYR 117 5.652 3.399 -1.278 793 H THR 118 H THR 118 -1.277 4.256 -6.811 794 HA THR 118 HA THR 118 -1.240 6.335 -8.903 795 HB THR 118 HB THR 118 -2.677 3.666 -9.284 796 HG1 THR 118 HG1 THR 118 -0.467 3.332 -10.508 797 1HG2 THR 118 1HG2 THR 118 -3.112 5.353 -10.963 798 2HG2 THR 118 2HG2 THR 118 -1.892 4.298 -11.677 799 3HG2 THR 118 3HG2 THR 118 -1.419 5.871 -11.009 800 H TYR 119 H TYR 119 -3.726 6.870 -9.562 801 HA TYR 119 HA TYR 119 -5.747 6.114 -7.737 802 1HB TYR 119 1HB TYR 119 -6.077 8.227 -6.511 803 HD1 TYR 119 HD1 TYR 119 -2.392 8.306 -6.924 804 HD2 TYR 119 HD2 TYR 119 -6.063 10.418 -7.381 805 HE1 TYR 119 HE1 TYR 119 -1.143 10.382 -7.386 806 HE2 TYR 119 HE2 TYR 119 -4.830 12.487 -7.842 807 HH TYR 119 HH TYR 119 -1.427 12.751 -7.364 808 H GLU 120 H GLU 120 -7.101 5.941 -9.345 809 HA GLU 120 HA GLU 120 -8.505 6.446 -11.052 810 1HB GLU 120 1HB GLU 120 -7.769 9.332 -10.528 811 1HG GLU 120 1HG GLU 120 -10.069 7.640 -9.617 812 H GLY 121 H GLY 121 -5.684 8.562 -11.109 813 1HA GLY 121 1HA GLY 121 -4.251 6.872 -12.546 814 2HA GLY 121 2HA GLY 121 -4.865 7.958 -13.802 815 H VAL 122 H VAL 122 -2.672 7.479 -11.230 816 HA VAL 122 HA VAL 122 -0.898 9.317 -12.321 817 HB VAL 122 HB VAL 122 -1.720 10.085 -9.493 818 1HG1 VAL 122 1HG1 VAL 122 0.351 11.453 -11.172 819 2HG1 VAL 122 2HG1 VAL 122 0.102 11.531 -9.424 820 3HG1 VAL 122 3HG1 VAL 122 0.743 10.060 -10.161 821 1HG2 VAL 122 1HG2 VAL 122 -2.098 12.342 -10.381 822 2HG2 VAL 122 2HG2 VAL 122 -1.934 11.706 -12.021 823 3HG2 VAL 122 3HG2 VAL 122 -3.258 11.158 -10.992 824 H GLU 123 H GLU 123 0.698 7.898 -12.295 825 HA GLU 123 HA GLU 123 1.135 6.599 -9.721 826 1HB GLU 123 1HB GLU 123 2.355 4.877 -10.686 827 1HG GLU 123 1HG GLU 123 3.595 6.300 -12.337 828 H ALA 124 H ALA 124 3.095 6.741 -8.796 829 HA ALA 124 HA ALA 124 5.243 8.276 -9.880 830 1HB ALA 124 1HB ALA 124 4.902 9.920 -7.798 831 2HB ALA 124 2HB ALA 124 4.259 10.271 -9.403 832 3HB ALA 124 3HB ALA 124 3.210 9.582 -8.163 833 H LYS 125 H LYS 125 7.047 8.064 -8.683 834 HA LYS 125 HA LYS 125 7.067 6.755 -6.070 835 1HB LYS 125 1HB LYS 125 8.658 5.087 -7.734 836 1HG LYS 125 1HG LYS 125 7.168 3.965 -9.183 837 1HD LYS 125 1HD LYS 125 6.920 6.922 -9.663 838 1HE LYS 125 1HE LYS 125 6.286 4.609 -11.471 839 1HZ LYS 125 1HZ LYS 125 6.044 6.171 -13.222 840 2HZ LYS 125 2HZ LYS 125 7.590 6.423 -12.570 841 3HZ LYS 125 3HZ LYS 125 6.332 7.492 -12.194 842 H ARG 126 H ARG 126 9.014 6.990 -5.083 843 HA ARG 126 HA ARG 126 11.349 7.429 -6.624 844 1HB ARG 126 1HB ARG 126 12.047 9.496 -5.908 845 1HG ARG 126 1HG ARG 126 10.051 10.720 -4.477 846 1HD ARG 126 1HD ARG 126 12.187 11.402 -4.026 847 HE ARG 126 HE ARG 126 13.158 8.829 -3.175 848 1HH1 ARG 126 1HH1 ARG 126 13.289 11.350 -5.581 849 2HH1 ARG 126 2HH1 ARG 126 14.495 10.543 -6.539 850 1HH2 ARG 126 1HH2 ARG 126 14.646 7.698 -4.465 851 2HH2 ARG 126 2HH2 ARG 126 15.262 8.473 -5.942 852 H ILE 127 H ILE 127 12.626 6.048 -5.750 853 HA ILE 127 HA ILE 127 13.143 5.957 -2.903 854 HB ILE 127 HB ILE 127 12.275 3.316 -3.983 855 1HG1 ILE 127 1HG1 ILE 127 9.899 3.783 -3.048 856 1HG2 ILE 127 1HG2 ILE 127 13.117 4.231 -1.609 857 2HG2 ILE 127 2HG2 ILE 127 11.373 4.288 -1.361 858 3HG2 ILE 127 3HG2 ILE 127 12.150 2.760 -1.816 859 1HD1 ILE 127 1HD1 ILE 127 8.958 4.339 -5.105 860 2HD1 ILE 127 2HD1 ILE 127 10.410 5.193 -5.632 861 3HD1 ILE 127 3HD1 ILE 127 10.423 3.436 -5.481 862 H PHE 128 H PHE 128 15.167 5.063 -2.616 863 HA PHE 128 HA PHE 128 15.849 3.000 -4.465 864 1HB PHE 128 1HB PHE 128 17.750 5.291 -4.042 865 HD1 PHE 128 HD1 PHE 128 17.372 6.780 -5.794 866 HD2 PHE 128 HD2 PHE 128 16.699 2.621 -6.369 867 HE1 PHE 128 HE1 PHE 128 16.644 7.234 -8.103 868 HE2 PHE 128 HE2 PHE 128 16.007 3.051 -8.702 869 HZ PHE 128 HZ PHE 128 15.981 5.363 -9.569 870 H LYS 129 H LYS 129 15.815 1.528 -3.354 871 HA LYS 129 HA LYS 129 16.141 1.859 -0.487 872 1HB LYS 129 1HB LYS 129 14.433 0.096 -2.175 873 1HG LYS 129 1HG LYS 129 13.916 2.110 -0.058 874 1HD LYS 129 1HD LYS 129 12.292 -0.240 -0.838 875 1HE LYS 129 1HE LYS 129 10.772 1.616 -1.158 876 1HZ LYS 129 1HZ LYS 129 10.871 3.380 0.150 877 2HZ LYS 129 2HZ LYS 129 12.001 2.639 1.172 878 3HZ LYS 129 3HZ LYS 129 10.347 2.436 1.454 879 H LYS 130 H LYS 130 16.415 0.046 0.803 880 HA LYS 130 HA LYS 130 17.423 -1.690 1.699 881 1HB LYS 130 1HB LYS 130 16.337 -2.581 -0.475 882 1HG LYS 130 1HG LYS 130 16.618 -4.051 1.353 883 1HD LYS 130 1HD LYS 130 19.397 -4.802 0.595 884 1HE LYS 130 1HE LYS 130 19.485 -5.259 3.039 885 1HZ LYS 130 1HZ LYS 130 18.915 -7.219 2.147 886 2HZ LYS 130 2HZ LYS 130 17.656 -6.577 1.209 887 3HZ LYS 130 3HZ LYS 130 17.404 -6.911 2.856 888 H GLU 131 H GLU 131 19.181 -0.987 2.646 889 HA GLU 131 HA GLU 131 21.739 -1.553 1.566 890 1HB GLU 131 1HB GLU 131 21.310 0.549 0.338 891 1HG GLU 131 1HG GLU 131 23.333 0.996 2.519 Start of MODEL 3 1 1H ALA 1 1H ALA 1 14.425 -13.494 7.863 2 2H ALA 1 2H ALA 1 13.318 -14.526 7.100 3 3H ALA 1 3H ALA 1 12.816 -13.559 8.402 4 HA ALA 1 HA ALA 1 12.442 -11.806 7.137 5 1HB ALA 1 1HB ALA 1 14.174 -10.718 6.252 6 2HB ALA 1 2HB ALA 1 15.167 -12.095 6.727 7 3HB ALA 1 3HB ALA 1 14.494 -12.013 5.099 8 H PHE 2 H PHE 2 10.942 -11.630 5.575 9 HA PHE 2 HA PHE 2 10.406 -13.956 3.933 10 1HB PHE 2 1HB PHE 2 8.519 -12.867 5.022 11 HD1 PHE 2 HD1 PHE 2 8.226 -14.875 3.261 12 HD2 PHE 2 HD2 PHE 2 7.662 -10.741 2.431 13 HE1 PHE 2 HE1 PHE 2 6.785 -15.460 1.358 14 HE2 PHE 2 HE2 PHE 2 6.217 -11.319 0.523 15 HZ PHE 2 HZ PHE 2 5.776 -13.680 -0.013 16 H ASP 3 H ASP 3 11.565 -10.655 3.570 17 HA ASP 3 HA ASP 3 12.318 -11.300 0.845 18 1HB ASP 3 1HB ASP 3 10.028 -10.305 0.705 19 H GLY 4 H GLY 4 12.144 -8.722 3.284 20 1HA GLY 4 1HA GLY 4 14.820 -8.310 3.607 21 2HA GLY 4 2HA GLY 4 14.411 -7.401 2.151 22 H THR 5 H THR 5 15.023 -5.531 3.135 23 HA THR 5 HA THR 5 12.820 -4.167 4.160 24 HB THR 5 HB THR 5 13.776 -4.797 6.349 25 HG1 THR 5 HG1 THR 5 13.120 -2.474 5.452 26 1HG2 THR 5 1HG2 THR 5 16.025 -5.104 6.338 27 2HG2 THR 5 2HG2 THR 5 16.065 -3.380 6.701 28 3HG2 THR 5 3HG2 THR 5 16.281 -3.937 5.042 29 H TRP 6 H TRP 6 12.955 -2.054 3.448 30 HA TRP 6 HA TRP 6 15.303 -1.282 1.948 31 1HB TRP 6 1HB TRP 6 13.068 -1.192 0.236 32 HD1 TRP 6 HD1 TRP 6 14.338 -4.788 0.601 33 HE1 TRP 6 HE1 TRP 6 12.281 -6.316 0.789 34 HE3 TRP 6 HE3 TRP 6 10.766 -1.223 1.273 35 HZ2 TRP 6 HZ2 TRP 6 9.493 -6.018 1.131 36 HZ3 TRP 6 HZ3 TRP 6 8.425 -1.924 1.514 37 HH2 TRP 6 HH2 TRP 6 7.810 -4.271 1.454 38 H LYS 7 H LYS 7 15.167 1.100 2.113 39 HA LYS 7 HA LYS 7 12.549 2.016 2.938 40 1HB LYS 7 1HB LYS 7 13.966 2.743 5.136 41 1HG LYS 7 1HG LYS 7 14.781 0.576 6.038 42 1HD LYS 7 1HD LYS 7 16.986 0.603 4.682 43 1HE LYS 7 1HE LYS 7 17.648 2.777 5.652 44 1HZ LYS 7 1HZ LYS 7 16.112 0.834 7.241 45 2HZ LYS 7 2HZ LYS 7 16.681 2.245 7.988 46 3HZ LYS 7 3HZ LYS 7 17.774 1.171 7.265 47 H VAL 8 H VAL 8 12.204 3.932 2.334 48 HA VAL 8 HA VAL 8 13.695 6.129 3.124 49 HB VAL 8 HB VAL 8 13.718 6.905 0.507 50 1HG1 VAL 8 1HG1 VAL 8 15.694 6.380 2.464 51 2HG1 VAL 8 2HG1 VAL 8 16.283 5.892 0.874 52 3HG1 VAL 8 3HG1 VAL 8 15.681 7.538 1.111 53 1HG2 VAL 8 1HG2 VAL 8 15.119 4.366 0.125 54 2HG2 VAL 8 2HG2 VAL 8 13.358 4.289 0.175 55 3HG2 VAL 8 3HG2 VAL 8 14.152 5.346 -0.999 56 H ASP 9 H ASP 9 11.892 5.103 0.439 57 HA ASP 9 HA ASP 9 10.175 7.409 0.791 58 1HB ASP 9 1HB ASP 9 11.835 6.374 -1.471 59 H ARG 10 H ARG 10 8.828 7.304 -1.389 60 HA ARG 10 HA ARG 10 7.212 5.079 -1.910 61 1HB ARG 10 1HB ARG 10 5.223 5.657 -0.695 62 1HG ARG 10 1HG ARG 10 6.716 7.888 0.644 63 1HD ARG 10 1HD ARG 10 3.754 7.428 0.579 64 HE ARG 10 HE ARG 10 5.159 8.645 2.829 65 1HH1 ARG 10 1HH1 ARG 10 3.263 9.142 -0.086 66 2HH1 ARG 10 2HH1 ARG 10 2.754 10.735 0.369 67 1HH2 ARG 10 1HH2 ARG 10 4.480 10.741 3.426 68 2HH2 ARG 10 2HH2 ARG 10 3.445 11.647 2.352 69 H ASN 11 H ASN 11 5.027 6.566 -2.946 70 HA ASN 11 HA ASN 11 6.695 7.890 -4.825 71 1HB ASN 11 1HB ASN 11 5.182 7.169 -6.295 72 1HD2 ASN 11 1HD2 ASN 11 3.476 9.091 -3.910 73 2HD2 ASN 11 2HD2 ASN 11 2.215 9.612 -5.006 74 H GLU 12 H GLU 12 5.776 9.919 -5.915 75 HA GLU 12 HA GLU 12 5.350 11.776 -3.700 76 1HB GLU 12 1HB GLU 12 6.094 12.397 -6.555 77 1HG GLU 12 1HG GLU 12 7.778 13.137 -4.238 78 H ASN 13 H ASN 13 3.536 12.211 -3.358 79 HA ASN 13 HA ASN 13 1.377 12.368 -5.227 80 1HB ASN 13 1HB ASN 13 1.843 13.336 -2.395 81 1HD2 ASN 13 1HD2 ASN 13 -0.208 11.343 -4.326 82 2HD2 ASN 13 2HD2 ASN 13 -0.406 10.046 -3.183 83 H TYR 14 H TYR 14 3.802 13.915 -3.632 84 HA TYR 14 HA TYR 14 3.406 16.597 -4.188 85 1HB TYR 14 1HB TYR 14 5.042 16.098 -2.555 86 HD1 TYR 14 HD1 TYR 14 7.821 14.774 -4.041 87 HD2 TYR 14 HD2 TYR 14 5.601 18.389 -3.951 88 HE1 TYR 14 HE1 TYR 14 9.827 16.016 -4.724 89 HE2 TYR 14 HE2 TYR 14 7.582 19.639 -4.657 90 HH TYR 14 HH TYR 14 10.404 18.103 -5.820 91 H GLU 15 H GLU 15 3.620 14.081 -6.305 92 HA GLU 15 HA GLU 15 4.612 15.839 -8.364 93 1HB GLU 15 1HB GLU 15 5.588 14.090 -9.655 94 1HG GLU 15 1HG GLU 15 4.810 12.119 -7.519 95 H LYS 16 H LYS 16 2.701 13.118 -7.488 96 HA LYS 16 HA LYS 16 1.160 13.017 -9.805 97 1HB LYS 16 1HB LYS 16 -0.275 12.809 -7.191 98 1HG LYS 16 1HG LYS 16 1.897 10.890 -7.799 99 1HD LYS 16 1HD LYS 16 1.071 10.237 -5.426 100 1HE LYS 16 1HE LYS 16 -0.144 9.397 -8.050 101 1HZ LYS 16 1HZ LYS 16 -1.106 8.724 -5.571 102 2HZ LYS 16 2HZ LYS 16 -0.170 7.396 -6.050 103 3HZ LYS 16 3HZ LYS 16 -1.436 7.936 -7.034 104 H PHE 17 H PHE 17 0.442 14.517 -6.850 105 HA PHE 17 HA PHE 17 -1.767 16.056 -7.999 106 1HB PHE 17 1HB PHE 17 -0.409 16.547 -5.369 107 HD1 PHE 17 HD1 PHE 17 -3.430 15.640 -4.376 108 HD2 PHE 17 HD2 PHE 17 -0.054 13.652 -6.091 109 HE1 PHE 17 HE1 PHE 17 -4.233 13.467 -3.527 110 HE2 PHE 17 HE2 PHE 17 -0.891 11.558 -5.333 111 HZ PHE 17 HZ PHE 17 -2.918 11.413 -3.983 112 H MET 18 H MET 18 1.582 16.212 -7.642 113 HA MET 18 HA MET 18 1.782 19.070 -7.606 114 1HB MET 18 1HB MET 18 3.664 17.988 -6.877 115 1HG MET 18 1HG MET 18 4.079 18.298 -9.872 116 1HE MET 18 1HE MET 18 7.957 18.616 -10.039 117 2HE MET 18 2HE MET 18 6.437 18.696 -10.931 118 3HE MET 18 3HE MET 18 6.823 19.929 -9.729 119 H GLU 19 H GLU 19 1.965 16.535 -9.895 120 HA GLU 19 HA GLU 19 2.326 18.271 -12.095 121 1HB GLU 19 1HB GLU 19 1.522 15.358 -11.932 122 1HG GLU 19 1HG GLU 19 4.203 16.726 -12.256 123 H LYS 20 H LYS 20 -0.385 16.742 -10.481 124 HA LYS 20 HA LYS 20 -1.993 17.629 -12.760 125 1HB LYS 20 1HB LYS 20 -3.332 15.600 -12.616 126 1HG LYS 20 1HG LYS 20 -1.342 14.645 -10.537 127 1HD LYS 20 1HD LYS 20 -2.790 12.636 -10.511 128 1HE LYS 20 1HE LYS 20 -0.707 12.922 -12.011 129 1HZ LYS 20 1HZ LYS 20 -2.864 13.332 -13.928 130 2HZ LYS 20 2HZ LYS 20 -1.599 12.307 -14.400 131 3HZ LYS 20 3HZ LYS 20 -1.264 13.903 -13.949 132 H MET 21 H MET 21 -2.356 16.551 -9.436 133 HA MET 21 HA MET 21 -5.000 17.003 -9.177 134 1HB MET 21 1HB MET 21 -2.848 17.093 -7.084 135 1HG MET 21 1HG MET 21 -2.905 14.978 -7.812 136 1HE MET 21 1HE MET 21 -7.488 14.588 -8.090 137 2HE MET 21 2HE MET 21 -6.525 14.849 -6.635 138 3HE MET 21 3HE MET 21 -6.795 16.179 -7.764 139 H GLY 22 H GLY 22 -2.734 18.963 -7.415 140 1HA GLY 22 1HA GLY 22 -4.590 21.267 -7.778 141 2HA GLY 22 2HA GLY 22 -3.945 20.832 -6.193 142 H ILE 23 H ILE 23 -1.426 20.216 -6.808 143 HA ILE 23 HA ILE 23 0.647 21.015 -7.032 144 HB ILE 23 HB ILE 23 1.221 21.285 -9.166 145 1HG1 ILE 23 1HG1 ILE 23 -1.011 23.290 -9.613 146 1HG2 ILE 23 1HG2 ILE 23 -0.491 20.551 -10.778 147 2HG2 ILE 23 2HG2 ILE 23 -0.520 19.588 -9.291 148 3HG2 ILE 23 3HG2 ILE 23 -1.739 20.841 -9.568 149 1HD1 ILE 23 1HD1 ILE 23 1.442 23.269 -11.260 150 2HD1 ILE 23 2HD1 ILE 23 0.222 22.039 -11.593 151 3HD1 ILE 23 3HD1 ILE 23 -0.204 23.748 -11.673 152 H ASN 24 H ASN 24 2.036 22.602 -6.542 153 HA ASN 24 HA ASN 24 2.842 24.575 -5.757 154 1HB ASN 24 1HB ASN 24 1.831 25.714 -7.678 155 1HD2 ASN 24 1HD2 ASN 24 -0.089 27.744 -6.043 156 2HD2 ASN 24 2HD2 ASN 24 1.093 28.844 -5.405 157 H VAL 25 H VAL 25 -0.668 24.425 -5.167 158 HA VAL 25 HA VAL 25 -0.468 25.483 -2.519 159 HB VAL 25 HB VAL 25 -2.827 24.707 -2.274 160 1HG1 VAL 25 1HG1 VAL 25 -2.477 26.148 -4.883 161 2HG1 VAL 25 2HG1 VAL 25 -3.721 26.378 -3.654 162 3HG1 VAL 25 3HG1 VAL 25 -2.065 26.899 -3.340 163 1HG2 VAL 25 1HG2 VAL 25 -2.955 24.034 -5.155 164 2HG2 VAL 25 2HG2 VAL 25 -2.274 22.817 -4.076 165 3HG2 VAL 25 3HG2 VAL 25 -3.909 23.421 -3.803 166 H VAL 26 H VAL 26 -0.025 22.382 -3.897 167 HA VAL 26 HA VAL 26 0.466 20.321 -3.063 168 HB VAL 26 HB VAL 26 1.004 21.672 -0.416 169 1HG1 VAL 26 1HG1 VAL 26 2.164 19.200 -1.714 170 2HG1 VAL 26 2HG1 VAL 26 2.674 19.885 -0.165 171 3HG1 VAL 26 3HG1 VAL 26 1.040 19.248 -0.351 172 1HG2 VAL 26 1HG2 VAL 26 2.731 22.780 -1.252 173 2HG2 VAL 26 2HG2 VAL 26 3.371 21.310 -1.987 174 3HG2 VAL 26 3HG2 VAL 26 2.210 22.305 -2.868 175 H LYS 27 H LYS 27 -2.039 20.283 -3.289 176 HA LYS 27 HA LYS 27 -3.754 20.360 -1.111 177 1HB LYS 27 1HB LYS 27 -3.795 18.862 -3.698 178 1HG LYS 27 1HG LYS 27 -4.511 21.265 -3.510 179 1HD LYS 27 1HD LYS 27 -6.849 20.028 -2.056 180 1HE LYS 27 1HE LYS 27 -7.430 21.875 -3.611 181 1HZ LYS 27 1HZ LYS 27 -6.590 24.086 -2.278 182 2HZ LYS 27 2HZ LYS 27 -5.965 23.527 -3.755 183 3HZ LYS 27 3HZ LYS 27 -5.204 23.112 -2.294 184 H ARG 28 H ARG 28 -2.496 17.328 -2.506 185 HA ARG 28 HA ARG 28 -2.398 16.258 0.220 186 1HB ARG 28 1HB ARG 28 -3.409 14.509 -0.852 187 1HG ARG 28 1HG ARG 28 -1.097 13.416 -2.213 188 1HD ARG 28 1HD ARG 28 -1.307 11.625 -0.687 189 HE ARG 28 HE ARG 28 -3.737 12.617 -1.833 190 1HH1 ARG 28 1HH1 ARG 28 -2.311 10.062 0.086 191 2HH1 ARG 28 2HH1 ARG 28 -3.576 8.927 -0.257 192 1HH2 ARG 28 1HH2 ARG 28 -5.358 11.125 -2.330 193 2HH2 ARG 28 2HH2 ARG 28 -5.311 9.532 -1.639 194 H LYS 29 H LYS 29 -0.482 15.834 -2.733 195 HA LYS 29 HA LYS 29 1.664 15.021 -2.796 196 1HB LYS 29 1HB LYS 29 2.205 17.847 -1.976 197 1HG LYS 29 1HG LYS 29 1.964 16.740 -4.745 198 1HD LYS 29 1HD LYS 29 1.643 19.120 -5.274 199 1HE LYS 29 1HE LYS 29 4.227 18.655 -3.860 200 1HZ LYS 29 1HZ LYS 29 3.942 20.911 -4.647 201 2HZ LYS 29 2HZ LYS 29 3.513 20.354 -6.193 202 3HZ LYS 29 3HZ LYS 29 5.086 20.107 -5.608 203 H LEU 30 H LEU 30 3.578 16.772 -1.093 204 HA LEU 30 HA LEU 30 4.924 16.337 0.727 205 1HB LEU 30 1HB LEU 30 2.735 14.538 1.776 206 HG LEU 30 HG LEU 30 1.805 16.789 1.717 207 1HD1 LEU 30 1HD1 LEU 30 1.490 15.214 3.680 208 2HD1 LEU 30 2HD1 LEU 30 2.656 16.220 4.538 209 3HD1 LEU 30 3HD1 LEU 30 1.140 16.919 3.965 210 1HD2 LEU 30 1HD2 LEU 30 3.125 18.363 3.440 211 2HD2 LEU 30 2HD2 LEU 30 4.486 17.485 2.739 212 3HD2 LEU 30 3HD2 LEU 30 3.393 18.397 1.697 213 H GLY 31 H GLY 31 4.106 14.932 -1.724 214 1HA GLY 31 1HA GLY 31 4.336 12.268 -1.691 215 2HA GLY 31 2HA GLY 31 4.785 13.268 -3.022 216 H ALA 32 H ALA 32 6.844 14.343 -0.827 217 HA ALA 32 HA ALA 32 8.758 12.138 -1.089 218 1HB ALA 32 1HB ALA 32 10.464 13.440 -1.967 219 2HB ALA 32 2HB ALA 32 9.055 14.056 -2.829 220 3HB ALA 32 3HB ALA 32 9.709 14.950 -1.457 221 H HIS 33 H HIS 33 7.323 12.483 1.093 222 HA HIS 33 HA HIS 33 8.803 14.211 2.908 223 1HB HIS 33 1HB HIS 33 6.033 13.654 2.515 224 HD1 HIS 33 HD1 HIS 33 7.761 16.129 2.217 225 HD2 HIS 33 HD2 HIS 33 5.593 15.246 5.645 226 HE1 HIS 33 HE1 HIS 33 7.243 18.350 3.276 227 HE2 HIS 33 HE2 HIS 33 6.163 17.769 5.485 228 H ALA 34 H ALA 34 9.682 13.610 4.632 229 HA ALA 34 HA ALA 34 10.419 12.485 6.396 230 1HB ALA 34 1HB ALA 34 8.363 12.170 7.255 231 2HB ALA 34 2HB ALA 34 7.792 11.268 5.852 232 3HB ALA 34 3HB ALA 34 8.820 10.480 7.049 233 H ASN 35 H ASN 35 11.702 10.908 7.136 234 HA ASN 35 HA ASN 35 12.714 8.879 5.316 235 1HB ASN 35 1HB ASN 35 13.312 9.482 8.227 236 1HD2 ASN 35 1HD2 ASN 35 16.067 8.783 6.757 237 2HD2 ASN 35 2HD2 ASN 35 16.579 10.366 6.262 238 H LEU 36 H LEU 36 12.605 6.508 5.926 239 HA LEU 36 HA LEU 36 10.638 5.667 7.804 240 1HB LEU 36 1HB LEU 36 9.072 4.798 6.036 241 HG LEU 36 HG LEU 36 10.805 6.494 4.264 242 1HD1 LEU 36 1HD1 LEU 36 9.698 4.408 2.830 243 2HD1 LEU 36 2HD1 LEU 36 11.323 4.482 3.533 244 3HD1 LEU 36 3HD1 LEU 36 10.001 3.719 4.428 245 1HD2 LEU 36 1HD2 LEU 36 8.749 7.584 3.893 246 2HD2 LEU 36 2HD2 LEU 36 8.822 6.375 2.613 247 3HD2 LEU 36 3HD2 LEU 36 7.823 6.093 4.039 248 H LYS 37 H LYS 37 10.545 3.298 7.894 249 HA LYS 37 HA LYS 37 12.530 2.238 6.027 250 1HB LYS 37 1HB LYS 37 13.362 0.683 7.624 251 1HG LYS 37 1HG LYS 37 11.061 1.544 9.352 252 1HD LYS 37 1HD LYS 37 13.194 1.657 10.593 253 1HE LYS 37 1HE LYS 37 13.347 -1.295 9.971 254 1HZ LYS 37 1HZ LYS 37 15.629 -0.756 11.151 255 2HZ LYS 37 2HZ LYS 37 14.264 -1.264 12.022 256 3HZ LYS 37 3HZ LYS 37 14.668 0.383 11.960 257 H LEU 38 H LEU 38 12.013 0.157 5.053 258 HA LEU 38 HA LEU 38 9.286 -0.729 5.709 259 1HB LEU 38 1HB LEU 38 10.471 0.155 3.197 260 HG LEU 38 HG LEU 38 7.646 -0.196 4.200 261 1HD1 LEU 38 1HD1 LEU 38 7.488 2.135 4.123 262 2HD1 LEU 38 2HD1 LEU 38 9.053 1.793 4.862 263 3HD1 LEU 38 3HD1 LEU 38 8.963 2.288 3.171 264 1HD2 LEU 38 1HD2 LEU 38 6.795 0.569 2.107 265 2HD2 LEU 38 2HD2 LEU 38 8.425 0.728 1.451 266 3HD2 LEU 38 3HD2 LEU 38 7.778 -0.869 1.832 267 H THR 39 H THR 39 9.174 -2.743 6.302 268 HA THR 39 HA THR 39 11.154 -4.692 5.321 269 HB THR 39 HB THR 39 9.998 -4.420 8.113 270 HG1 THR 39 HG1 THR 39 12.511 -3.574 7.051 271 1HG2 THR 39 1HG2 THR 39 11.196 -6.297 8.727 272 2HG2 THR 39 2HG2 THR 39 12.504 -5.978 7.589 273 3HG2 THR 39 3HG2 THR 39 10.997 -6.696 7.021 274 H ILE 40 H ILE 40 9.857 -7.177 5.839 275 HA ILE 40 HA ILE 40 7.021 -6.881 5.894 276 HB ILE 40 HB ILE 40 6.545 -7.783 3.684 277 1HG1 ILE 40 1HG1 ILE 40 8.655 -8.968 3.422 278 1HG2 ILE 40 1HG2 ILE 40 8.196 -5.315 3.282 279 2HG2 ILE 40 2HG2 ILE 40 6.910 -5.912 2.234 280 3HG2 ILE 40 3HG2 ILE 40 6.530 -5.349 3.862 281 1HD1 ILE 40 1HD1 ILE 40 10.610 -8.037 3.338 282 2HD1 ILE 40 2HD1 ILE 40 10.144 -7.160 1.882 283 3HD1 ILE 40 3HD1 ILE 40 9.868 -6.443 3.469 284 H THR 41 H THR 41 6.691 -8.667 7.164 285 HA THR 41 HA THR 41 7.431 -11.232 6.090 286 HB THR 41 HB THR 41 9.617 -10.262 6.647 287 HG1 THR 41 HG1 THR 41 9.038 -12.602 8.211 288 1HG2 THR 41 1HG2 THR 41 9.607 -9.077 8.534 289 2HG2 THR 41 2HG2 THR 41 10.219 -10.612 9.183 290 3HG2 THR 41 3HG2 THR 41 8.518 -10.184 9.391 291 H GLN 42 H GLN 42 6.185 -12.831 6.897 292 HA GLN 42 HA GLN 42 5.681 -13.322 9.544 293 1HB GLN 42 1HB GLN 42 4.233 -11.433 9.767 294 1HG GLN 42 1HG GLN 42 1.982 -12.523 10.041 295 1HE2 GLN 42 1HE2 GLN 42 3.145 -15.422 10.821 296 2HE2 GLN 42 2HE2 GLN 42 3.824 -15.089 12.385 297 H GLU 43 H GLU 43 3.261 -13.296 6.956 298 HA GLU 43 HA GLU 43 3.321 -16.191 7.096 299 1HB GLU 43 1HB GLU 43 1.147 -14.516 5.846 300 1HG GLU 43 1HG GLU 43 1.163 -15.655 8.629 301 H GLY 44 H GLY 44 2.796 -17.197 4.682 302 1HA GLY 44 1HA GLY 44 4.231 -15.289 2.963 303 2HA GLY 44 2HA GLY 44 4.289 -17.029 2.672 304 H ASN 45 H ASN 45 2.361 -14.348 2.982 305 HA ASN 45 HA ASN 45 1.765 -14.043 0.413 306 1HB ASN 45 1HB ASN 45 -0.775 -14.098 0.384 307 1HD2 ASN 45 1HD2 ASN 45 0.554 -15.689 3.251 308 2HD2 ASN 45 2HD2 ASN 45 -0.982 -15.974 4.004 309 H LYS 46 H LYS 46 2.700 -12.239 1.257 310 HA LYS 46 HA LYS 46 1.067 -10.313 2.650 311 1HB LYS 46 1HB LYS 46 1.870 -12.372 4.194 312 1HG LYS 46 1HG LYS 46 2.212 -9.614 5.309 313 1HD LYS 46 1HD LYS 46 1.381 -12.293 6.415 314 1HE LYS 46 1HE LYS 46 1.468 -11.205 8.597 315 1HZ LYS 46 1HZ LYS 46 -0.720 -11.096 8.351 316 2HZ LYS 46 2HZ LYS 46 -0.585 -10.881 6.674 317 3HZ LYS 46 3HZ LYS 46 -0.564 -9.535 7.710 318 H PHE 47 H PHE 47 2.386 -8.381 3.187 319 HA PHE 47 HA PHE 47 5.188 -8.584 2.861 320 1HB PHE 47 1HB PHE 47 3.823 -6.565 1.041 321 HD1 PHE 47 HD1 PHE 47 2.476 -8.318 -0.101 322 HD2 PHE 47 HD2 PHE 47 6.729 -8.380 -0.030 323 HE1 PHE 47 HE1 PHE 47 2.478 -9.894 -1.979 324 HE2 PHE 47 HE2 PHE 47 6.738 -9.952 -1.920 325 HZ PHE 47 HZ PHE 47 4.609 -10.713 -2.896 326 H THR 48 H THR 48 5.231 -7.910 5.003 327 HA THR 48 HA THR 48 4.913 -5.132 5.389 328 HB THR 48 HB THR 48 2.496 -6.195 5.421 329 HG1 THR 48 HG1 THR 48 3.519 -4.293 7.337 330 1HG2 THR 48 1HG2 THR 48 3.776 -7.120 7.897 331 2HG2 THR 48 2HG2 THR 48 2.276 -7.669 7.092 332 3HG2 THR 48 3HG2 THR 48 2.234 -6.257 8.148 333 H VAL 49 H VAL 49 6.210 -4.554 6.826 334 HA VAL 49 HA VAL 49 6.181 -5.369 9.439 335 HB VAL 49 HB VAL 49 8.556 -6.352 7.818 336 1HG1 VAL 49 1HG1 VAL 49 8.718 -6.402 10.800 337 2HG1 VAL 49 2HG1 VAL 49 10.000 -6.291 9.588 338 3HG1 VAL 49 3HG1 VAL 49 9.030 -4.871 9.974 339 1HG2 VAL 49 1HG2 VAL 49 6.458 -7.690 9.124 340 2HG2 VAL 49 2HG2 VAL 49 7.833 -8.326 8.176 341 3HG2 VAL 49 3HG2 VAL 49 7.983 -8.091 9.936 342 H LYS 50 H LYS 50 6.317 -2.807 9.745 343 HA LYS 50 HA LYS 50 8.997 -1.988 9.213 344 1HB LYS 50 1HB LYS 50 8.105 -0.153 7.508 345 1HG LYS 50 1HG LYS 50 6.204 -2.371 7.301 346 1HD LYS 50 1HD LYS 50 7.157 -0.903 4.864 347 1HE LYS 50 1HE LYS 50 5.890 -2.851 3.773 348 1HZ LYS 50 1HZ LYS 50 5.080 -0.545 3.755 349 2HZ LYS 50 2HZ LYS 50 4.277 -0.815 5.221 350 3HZ LYS 50 3HZ LYS 50 3.821 -1.671 3.836 351 H GLU 51 H GLU 51 9.173 -0.945 11.107 352 HA GLU 51 HA GLU 51 7.203 1.242 11.560 353 1HB GLU 51 1HB GLU 51 9.055 -0.130 13.547 354 1HG GLU 51 1HG GLU 51 6.062 -0.465 13.397 355 H SER 52 H SER 52 8.473 2.653 10.107 356 HA SER 52 HA SER 52 9.933 4.333 11.829 357 1HB SER 52 1HB SER 52 12.027 3.757 11.448 358 HG SER 52 HG SER 52 12.292 3.717 8.787 359 H SER 53 H SER 53 9.613 6.290 11.367 360 HA SER 53 HA SER 53 9.409 7.392 8.784 361 1HB SER 53 1HB SER 53 6.832 7.109 10.356 362 HG SER 53 HG SER 53 7.841 5.738 8.304 363 H ASN 54 H ASN 54 8.815 9.732 8.996 364 HA ASN 54 HA ASN 54 10.562 11.116 10.390 365 1HB ASN 54 1HB ASN 54 9.227 12.223 8.785 366 1HD2 ASN 54 1HD2 ASN 54 10.443 13.981 9.200 367 2HD2 ASN 54 2HD2 ASN 54 10.014 15.203 10.353 368 H PHE 55 H PHE 55 7.538 10.050 11.931 369 HA PHE 55 HA PHE 55 8.624 10.934 14.500 370 1HB PHE 55 1HB PHE 55 7.395 12.891 13.769 371 HD1 PHE 55 HD1 PHE 55 4.302 12.620 14.790 372 HD2 PHE 55 HD2 PHE 55 8.180 11.935 16.403 373 HE1 PHE 55 HE1 PHE 55 3.425 13.001 17.055 374 HE2 PHE 55 HE2 PHE 55 7.307 12.311 18.671 375 HZ PHE 55 HZ PHE 55 4.925 12.844 18.998 376 H ARG 56 H ARG 56 5.904 9.474 12.813 377 HA ARG 56 HA ARG 56 5.518 7.600 15.056 378 1HB ARG 56 1HB ARG 56 3.465 8.685 14.299 379 1HG ARG 56 1HG ARG 56 3.560 5.878 13.223 380 1HD ARG 56 1HD ARG 56 1.210 7.567 14.074 381 HE ARG 56 HE ARG 56 0.597 5.172 12.680 382 1HH1 ARG 56 1HH1 ARG 56 1.411 6.415 15.858 383 2HH1 ARG 56 2HH1 ARG 56 0.728 5.058 16.702 384 1HH2 ARG 56 1HH2 ARG 56 -0.297 3.373 13.798 385 2HH2 ARG 56 2HH2 ARG 56 -0.222 3.329 15.540 386 H ASN 57 H ASN 57 5.655 5.271 14.522 387 HA ASN 57 HA ASN 57 6.610 4.641 11.882 388 1HB ASN 57 1HB ASN 57 8.703 3.526 12.899 389 1HD2 ASN 57 1HD2 ASN 57 9.728 6.362 14.039 390 2HD2 ASN 57 2HD2 ASN 57 9.749 6.036 15.740 391 H ILE 58 H ILE 58 5.283 3.200 11.514 392 HA ILE 58 HA ILE 58 5.828 0.687 12.260 393 HB ILE 58 HB ILE 58 4.847 0.905 14.364 394 1HG1 ILE 58 1HG1 ILE 58 2.686 -0.303 12.595 395 1HG2 ILE 58 1HG2 ILE 58 2.729 1.903 14.841 396 2HG2 ILE 58 2HG2 ILE 58 3.665 3.036 13.847 397 3HG2 ILE 58 3HG2 ILE 58 2.363 2.072 13.122 398 1HD1 ILE 58 1HD1 ILE 58 2.277 -1.827 14.324 399 2HD1 ILE 58 2HD1 ILE 58 3.764 -1.388 15.170 400 3HD1 ILE 58 3HD1 ILE 58 2.403 -0.265 15.138 401 H ASP 59 H ASP 59 5.035 -0.586 10.716 402 HA ASP 59 HA ASP 59 2.549 0.114 9.532 403 1HB ASP 59 1HB ASP 59 4.137 1.505 8.243 404 H VAL 60 H VAL 60 1.929 -1.825 10.267 405 HA VAL 60 HA VAL 60 2.804 -4.040 8.577 406 HB VAL 60 HB VAL 60 2.783 -5.631 10.409 407 1HG1 VAL 60 1HG1 VAL 60 4.854 -4.267 9.708 408 2HG1 VAL 60 2HG1 VAL 60 4.665 -3.472 11.277 409 3HG1 VAL 60 3HG1 VAL 60 4.933 -5.219 11.191 410 1HG2 VAL 60 1HG2 VAL 60 1.285 -4.214 11.926 411 2HG2 VAL 60 2HG2 VAL 60 2.615 -5.075 12.704 412 3HG2 VAL 60 3HG2 VAL 60 2.755 -3.347 12.373 413 H VAL 61 H VAL 61 0.994 -4.079 7.411 414 HA VAL 61 HA VAL 61 -1.245 -5.469 8.486 415 HB VAL 61 HB VAL 61 -1.929 -2.752 7.313 416 1HG1 VAL 61 1HG1 VAL 61 -3.833 -4.558 8.736 417 2HG1 VAL 61 2HG1 VAL 61 -4.154 -3.312 7.529 418 3HG1 VAL 61 3HG1 VAL 61 -3.423 -4.843 7.044 419 1HG2 VAL 61 1HG2 VAL 61 -2.373 -1.826 9.343 420 2HG2 VAL 61 2HG2 VAL 61 -2.689 -3.383 10.111 421 3HG2 VAL 61 3HG2 VAL 61 -1.028 -2.871 9.802 422 H PHE 62 H PHE 62 -1.000 -6.960 6.876 423 HA PHE 62 HA PHE 62 -1.765 -6.067 4.229 424 1HB PHE 62 1HB PHE 62 0.867 -7.403 4.744 425 HD1 PHE 62 HD1 PHE 62 0.412 -6.151 1.477 426 HD2 PHE 62 HD2 PHE 62 1.233 -4.995 5.477 427 HE1 PHE 62 HE1 PHE 62 1.476 -4.086 0.655 428 HE2 PHE 62 HE2 PHE 62 2.284 -2.941 4.694 429 HZ PHE 62 HZ PHE 62 2.426 -2.470 2.255 430 H GLU 63 H GLU 63 -2.286 -7.710 2.827 431 HA GLU 63 HA GLU 63 -2.859 -10.369 3.886 432 1HB GLU 63 1HB GLU 63 -4.812 -8.634 4.134 433 1HG GLU 63 1HG GLU 63 -6.520 -10.207 3.221 434 H LEU 64 H LEU 64 -3.211 -11.783 2.088 435 HA LEU 64 HA LEU 64 -1.513 -11.427 -0.075 436 1HB LEU 64 1HB LEU 64 -2.461 -13.555 0.565 437 HG LEU 64 HG LEU 64 -1.960 -13.048 -1.958 438 1HD1 LEU 64 1HD1 LEU 64 -2.173 -15.317 -2.381 439 2HD1 LEU 64 2HD1 LEU 64 -2.135 -15.274 -0.617 440 3HD1 LEU 64 3HD1 LEU 64 -3.673 -15.456 -1.462 441 1HD2 LEU 64 1HD2 LEU 64 -4.538 -14.017 -2.740 442 2HD2 LEU 64 2HD2 LEU 64 -4.737 -12.509 -1.849 443 3HD2 LEU 64 3HD2 LEU 64 -3.695 -12.562 -3.271 444 H GLY 65 H GLY 65 -4.637 -10.247 0.654 445 1HA GLY 65 1HA GLY 65 -4.331 -8.266 -1.399 446 2HA GLY 65 2HA GLY 65 -5.851 -9.137 -1.516 447 H VAL 66 H VAL 66 -3.912 -6.995 0.422 448 HA VAL 66 HA VAL 66 -5.958 -6.654 2.427 449 HB VAL 66 HB VAL 66 -3.356 -6.801 2.701 450 1HG1 VAL 66 1HG1 VAL 66 -2.134 -5.105 2.020 451 2HG1 VAL 66 2HG1 VAL 66 -3.580 -4.296 1.411 452 3HG1 VAL 66 3HG1 VAL 66 -3.039 -4.014 3.068 453 1HG2 VAL 66 1HG2 VAL 66 -4.765 -6.698 4.576 454 2HG2 VAL 66 2HG2 VAL 66 -3.569 -5.416 4.799 455 3HG2 VAL 66 3HG2 VAL 66 -5.200 -5.016 4.258 456 H ASP 67 H ASP 67 -6.187 -4.239 3.268 457 HA ASP 67 HA ASP 67 -6.234 -2.395 1.034 458 1HB ASP 67 1HB ASP 67 -8.423 -1.513 1.495 459 H PHE 68 H PHE 68 -5.606 -0.440 1.458 460 HA PHE 68 HA PHE 68 -5.077 0.396 4.223 461 1HB PHE 68 1HB PHE 68 -3.938 1.346 1.575 462 HD1 PHE 68 HD1 PHE 68 -1.454 2.176 3.424 463 HD2 PHE 68 HD2 PHE 68 -3.506 -1.449 2.563 464 HE1 PHE 68 HE1 PHE 68 0.595 0.907 3.909 465 HE2 PHE 68 HE2 PHE 68 -1.460 -2.726 3.050 466 HZ PHE 68 HZ PHE 68 0.592 -1.548 3.723 467 H ALA 69 H ALA 69 -5.777 2.537 4.733 468 HA ALA 69 HA ALA 69 -6.906 4.159 2.791 469 1HB ALA 69 1HB ALA 69 -8.901 2.607 4.428 470 2HB ALA 69 2HB ALA 69 -9.302 4.111 3.593 471 3HB ALA 69 3HB ALA 69 -8.740 2.711 2.660 472 H TYR 70 H TYR 70 -5.861 5.792 3.611 473 HA TYR 70 HA TYR 70 -7.020 7.317 5.671 474 1HB TYR 70 1HB TYR 70 -4.781 7.570 6.862 475 HD1 TYR 70 HD1 TYR 70 -4.608 4.123 7.328 476 HD2 TYR 70 HD2 TYR 70 -2.962 7.265 4.980 477 HE1 TYR 70 HE1 TYR 70 -2.603 2.758 6.912 478 HE2 TYR 70 HE2 TYR 70 -0.961 5.904 4.549 479 HH TYR 70 HH TYR 70 -0.758 2.776 4.857 480 H SER 71 H SER 71 -5.806 9.499 5.729 481 HA SER 71 HA SER 71 -5.240 9.840 2.924 482 1HB SER 71 1HB SER 71 -7.079 11.116 3.716 483 HG SER 71 HG SER 71 -6.457 12.590 2.444 484 H LEU 72 H LEU 72 -3.257 9.816 2.383 485 HA LEU 72 HA LEU 72 -1.023 10.062 3.977 486 1HB LEU 72 1HB LEU 72 -1.323 10.588 1.025 487 HG LEU 72 HG LEU 72 -1.741 8.250 1.676 488 1HD1 LEU 72 1HD1 LEU 72 -0.508 7.325 -0.009 489 2HD1 LEU 72 2HD1 LEU 72 -0.311 9.032 -0.395 490 3HD1 LEU 72 3HD1 LEU 72 0.971 8.166 0.452 491 1HD2 LEU 72 1HD2 LEU 72 0.378 8.751 3.495 492 2HD2 LEU 72 2HD2 LEU 72 -0.632 7.311 3.346 493 3HD2 LEU 72 3HD2 LEU 72 0.868 7.434 2.427 494 H ALA 73 H ALA 73 -3.013 12.522 2.631 495 HA ALA 73 HA ALA 73 -1.183 14.664 3.430 496 1HB ALA 73 1HB ALA 73 -3.405 14.481 1.589 497 2HB ALA 73 2HB ALA 73 -3.614 15.813 2.728 498 3HB ALA 73 3HB ALA 73 -2.160 15.722 1.735 499 H ASP 74 H ASP 74 -4.697 14.209 3.851 500 HA ASP 74 HA ASP 74 -4.727 13.701 6.565 501 1HB ASP 74 1HB ASP 74 -5.424 15.880 7.528 502 H GLY 75 H GLY 75 -6.765 13.258 7.300 503 1HA GLY 75 1HA GLY 75 -9.119 13.438 7.357 504 2HA GLY 75 2HA GLY 75 -9.062 14.275 5.818 505 H THR 76 H THR 76 -7.464 11.240 6.356 506 HA THR 76 HA THR 76 -7.524 9.299 5.192 507 HB THR 76 HB THR 76 -9.933 8.261 5.217 508 HG1 THR 76 HG1 THR 76 -10.665 10.599 5.834 509 1HG2 THR 76 1HG2 THR 76 -8.365 8.941 7.701 510 2HG2 THR 76 2HG2 THR 76 -8.184 7.510 6.686 511 3HG2 THR 76 3HG2 THR 76 -9.650 7.736 7.639 512 H GLU 77 H GLU 77 -7.114 9.021 3.232 513 HA GLU 77 HA GLU 77 -9.093 8.847 1.212 514 1HB GLU 77 1HB GLU 77 -8.619 10.690 -0.111 515 1HG GLU 77 1HG GLU 77 -6.336 11.339 1.707 516 H LEU 78 H LEU 78 -8.192 6.766 1.113 517 HA LEU 78 HA LEU 78 -6.102 6.514 -0.744 518 1HB LEU 78 1HB LEU 78 -4.680 7.105 1.046 519 HG LEU 78 HG LEU 78 -4.622 4.119 0.838 520 1HD1 LEU 78 1HD1 LEU 78 -4.059 5.460 -1.188 521 2HD1 LEU 78 2HD1 LEU 78 -2.762 6.227 -0.272 522 3HD1 LEU 78 3HD1 LEU 78 -2.711 4.493 -0.590 523 1HD2 LEU 78 1HD2 LEU 78 -2.843 3.978 2.237 524 2HD2 LEU 78 2HD2 LEU 78 -2.296 5.619 1.891 525 3HD2 LEU 78 3HD2 LEU 78 -3.653 5.354 2.984 526 H THR 79 H THR 79 -5.383 4.407 -1.012 527 HA THR 79 HA THR 79 -7.354 2.281 -0.511 528 HB THR 79 HB THR 79 -7.212 1.725 -2.712 529 HG1 THR 79 HG1 THR 79 -4.828 1.175 -1.969 530 1HG2 THR 79 1HG2 THR 79 -7.290 4.171 -2.947 531 2HG2 THR 79 2HG2 THR 79 -6.384 3.435 -4.271 532 3HG2 THR 79 3HG2 THR 79 -5.528 4.243 -2.953 533 H GLY 80 H GLY 80 -6.291 0.156 -0.561 534 1HA GLY 80 1HA GLY 80 -3.765 0.035 -1.250 535 2HA GLY 80 2HA GLY 80 -3.650 0.009 0.478 536 H THR 81 H THR 81 -4.104 -1.633 -2.277 537 HA THR 81 HA THR 81 -4.229 -4.053 -0.738 538 HB THR 81 HB THR 81 -4.701 -4.199 -3.715 539 HG1 THR 81 HG1 THR 81 -6.823 -3.848 -3.425 540 1HG2 THR 81 1HG2 THR 81 -5.395 -5.988 -1.369 541 2HG2 THR 81 2HG2 THR 81 -4.128 -6.245 -2.571 542 3HG2 THR 81 3HG2 THR 81 -5.825 -6.308 -3.049 543 H TRP 82 H TRP 82 -2.705 -5.499 -1.461 544 HA TRP 82 HA TRP 82 -0.958 -4.665 -3.537 545 1HB TRP 82 1HB TRP 82 0.056 -5.291 -0.723 546 HD1 TRP 82 HD1 TRP 82 -1.251 -3.085 0.127 547 HE1 TRP 82 HE1 TRP 82 -0.815 -0.613 -0.260 548 HE3 TRP 82 HE3 TRP 82 2.127 -3.513 -3.600 549 HZ2 TRP 82 HZ2 TRP 82 0.852 1.026 -1.964 550 HZ3 TRP 82 HZ3 TRP 82 3.146 -1.513 -4.554 551 HH2 TRP 82 HH2 TRP 82 2.483 0.710 -3.813 552 H THR 83 H THR 83 -1.358 -6.522 -4.780 553 HA THR 83 HA THR 83 -1.371 -9.082 -3.343 554 HB THR 83 HB THR 83 -2.777 -8.566 -5.942 555 HG1 THR 83 HG1 THR 83 -4.019 -7.203 -4.918 556 1HG2 THR 83 1HG2 THR 83 -2.447 -10.854 -4.544 557 2HG2 THR 83 2HG2 THR 83 -3.819 -10.531 -5.604 558 3HG2 THR 83 3HG2 THR 83 -3.967 -10.272 -3.866 559 H MET 84 H MET 84 0.814 -9.604 -3.769 560 HA MET 84 HA MET 84 0.913 -11.027 -6.251 561 1HB MET 84 1HB MET 84 3.038 -9.036 -5.761 562 1HG MET 84 1HG MET 84 1.764 -8.540 -7.525 563 1HE MET 84 1HE MET 84 2.862 -12.034 -9.470 564 2HE MET 84 2HE MET 84 2.811 -12.213 -7.717 565 3HE MET 84 3HE MET 84 1.585 -12.991 -8.718 566 H GLU 85 H GLU 85 3.240 -12.032 -6.279 567 HA GLU 85 HA GLU 85 3.394 -13.486 -3.789 568 1HB GLU 85 1HB GLU 85 4.317 -14.134 -6.580 569 1HG GLU 85 1HG GLU 85 2.571 -15.647 -4.639 570 H GLY 86 H GLY 86 5.790 -13.974 -3.218 571 1HA GLY 86 1HA GLY 86 6.716 -11.321 -2.912 572 2HA GLY 86 2HA GLY 86 7.367 -12.740 -2.102 573 H ASN 87 H ASN 87 7.624 -10.492 -4.454 574 HA ASN 87 HA ASN 87 10.179 -10.423 -5.185 575 1HB ASN 87 1HB ASN 87 9.961 -12.838 -5.906 576 1HD2 ASN 87 1HD2 ASN 87 9.709 -12.188 -9.063 577 2HD2 ASN 87 2HD2 ASN 87 11.329 -11.688 -9.406 578 H LYS 88 H LYS 88 6.843 -9.977 -5.709 579 HA LYS 88 HA LYS 88 7.330 -7.586 -7.177 580 1HB LYS 88 1HB LYS 88 6.300 -8.084 -9.194 581 1HG LYS 88 1HG LYS 88 4.280 -9.223 -8.268 582 1HD LYS 88 1HD LYS 88 5.164 -10.925 -6.885 583 1HE LYS 88 1HE LYS 88 6.682 -11.742 -9.372 584 1HZ LYS 88 1HZ LYS 88 7.266 -13.795 -8.461 585 2HZ LYS 88 2HZ LYS 88 5.576 -13.731 -8.318 586 3HZ LYS 88 3HZ LYS 88 6.559 -13.457 -6.959 587 H LEU 89 H LEU 89 5.423 -6.320 -7.237 588 HA LEU 89 HA LEU 89 3.327 -7.357 -5.503 589 1HB LEU 89 1HB LEU 89 4.756 -4.765 -5.724 590 HG LEU 89 HG LEU 89 5.422 -5.916 -3.876 591 1HD1 LEU 89 1HD1 LEU 89 4.318 -4.460 -2.001 592 2HD1 LEU 89 2HD1 LEU 89 5.319 -3.703 -3.257 593 3HD1 LEU 89 3HD1 LEU 89 3.549 -3.652 -3.366 594 1HD2 LEU 89 1HD2 LEU 89 4.154 -7.323 -2.633 595 2HD2 LEU 89 2HD2 LEU 89 2.859 -6.143 -2.452 596 3HD2 LEU 89 3HD2 LEU 89 2.932 -7.156 -3.898 597 H VAL 90 H VAL 90 1.166 -6.897 -6.027 598 HA VAL 90 HA VAL 90 0.610 -4.785 -7.799 599 HB VAL 90 HB VAL 90 1.359 -6.411 -9.496 600 1HG1 VAL 90 1HG1 VAL 90 -1.065 -8.020 -8.738 601 2HG1 VAL 90 2HG1 VAL 90 0.039 -8.346 -10.076 602 3HG1 VAL 90 3HG1 VAL 90 0.617 -8.486 -8.402 603 1HG2 VAL 90 1HG2 VAL 90 -0.160 -5.688 -11.035 604 2HG2 VAL 90 2HG2 VAL 90 -1.543 -6.075 -10.012 605 3HG2 VAL 90 3HG2 VAL 90 -0.580 -4.630 -9.682 606 H GLY 91 H GLY 91 -0.904 -4.058 -6.570 607 1HA GLY 91 1HA GLY 91 -3.354 -5.497 -6.014 608 2HA GLY 91 2HA GLY 91 -2.245 -5.363 -4.651 609 H LYS 92 H LYS 92 -4.902 -4.181 -5.199 610 HA LYS 92 HA LYS 92 -4.174 -1.466 -4.667 611 1HB LYS 92 1HB LYS 92 -3.771 -1.467 -6.938 612 1HG LYS 92 1HG LYS 92 -5.848 0.004 -5.962 613 1HD LYS 92 1HD LYS 92 -7.125 -1.799 -7.497 614 1HE LYS 92 1HE LYS 92 -7.619 -0.435 -9.585 615 1HZ LYS 92 1HZ LYS 92 -6.222 -1.792 -10.656 616 2HZ LYS 92 2HZ LYS 92 -5.691 -2.343 -9.139 617 3HZ LYS 92 3HZ LYS 92 -4.855 -1.095 -9.933 618 H PHE 93 H PHE 93 -5.769 -0.102 -4.210 619 HA PHE 93 HA PHE 93 -8.471 -1.079 -3.989 620 1HB PHE 93 1HB PHE 93 -6.795 -0.592 -1.731 621 HD1 PHE 93 HD1 PHE 93 -8.087 -2.882 -2.850 622 HD2 PHE 93 HD2 PHE 93 -9.700 0.070 -0.270 623 HE1 PHE 93 HE1 PHE 93 -9.769 -4.508 -2.050 624 HE2 PHE 93 HE2 PHE 93 -11.377 -1.535 0.548 625 HZ PHE 93 HZ PHE 93 -11.419 -3.831 -0.346 626 H LYS 94 H LYS 94 -9.785 0.817 -3.236 627 HA LYS 94 HA LYS 94 -9.068 3.020 -4.931 628 1HB LYS 94 1HB LYS 94 -11.224 3.407 -5.253 629 1HG LYS 94 1HG LYS 94 -11.669 3.650 -2.791 630 1HD LYS 94 1HD LYS 94 -12.854 0.902 -2.923 631 1HE LYS 94 1HE LYS 94 -13.426 2.568 -1.121 632 1HZ LYS 94 1HZ LYS 94 -11.606 3.633 -0.349 633 2HZ LYS 94 2HZ LYS 94 -10.533 2.351 -0.663 634 3HZ LYS 94 3HZ LYS 94 -11.538 2.315 0.709 635 H ARG 95 H ARG 95 -9.266 5.079 -4.093 636 HA ARG 95 HA ARG 95 -8.169 5.429 -1.604 637 1HB ARG 95 1HB ARG 95 -8.387 7.733 -1.844 638 1HG ARG 95 1HG ARG 95 -10.520 7.693 -3.894 639 1HD ARG 95 1HD ARG 95 -10.867 9.890 -2.976 640 HE ARG 95 HE ARG 95 -8.935 9.548 -4.579 641 1HH1 ARG 95 1HH1 ARG 95 -8.404 10.510 -1.303 642 2HH1 ARG 95 2HH1 ARG 95 -7.163 11.655 -1.705 643 1HH2 ARG 95 1HH2 ARG 95 -7.218 10.999 -5.130 644 2HH2 ARG 95 2HH2 ARG 95 -6.462 11.907 -3.852 645 H VAL 96 H VAL 96 -9.127 7.271 -0.165 646 HA VAL 96 HA VAL 96 -11.605 6.181 1.034 647 HB VAL 96 HB VAL 96 -9.790 8.284 2.266 648 1HG1 VAL 96 1HG1 VAL 96 -11.000 7.823 4.307 649 2HG1 VAL 96 2HG1 VAL 96 -12.164 8.202 3.037 650 3HG1 VAL 96 3HG1 VAL 96 -11.917 6.529 3.537 651 1HG2 VAL 96 1HG2 VAL 96 -9.411 6.127 3.821 652 2HG2 VAL 96 2HG2 VAL 96 -9.650 5.319 2.274 653 3HG2 VAL 96 3HG2 VAL 96 -8.370 6.520 2.449 654 H ASP 97 H ASP 97 -10.188 9.225 -0.139 655 HA ASP 97 HA ASP 97 -12.126 10.955 0.786 656 1HB ASP 97 1HB ASP 97 -10.458 12.179 -0.162 657 H ASN 98 H ASN 98 -12.254 8.851 -2.018 658 HA ASN 98 HA ASN 98 -15.084 8.833 -1.594 659 1HB ASN 98 1HB ASN 98 -14.721 10.629 -3.398 660 1HD2 ASN 98 1HD2 ASN 98 -15.784 8.513 -5.670 661 2HD2 ASN 98 2HD2 ASN 98 -17.481 8.541 -5.309 662 H GLY 99 H GLY 99 -13.450 7.899 -4.510 663 1HA GLY 99 1HA GLY 99 -12.468 5.468 -3.571 664 2HA GLY 99 2HA GLY 99 -13.994 5.163 -4.425 665 H LYS 100 H LYS 100 -10.710 5.660 -4.682 666 HA LYS 100 HA LYS 100 -10.958 5.494 -7.566 667 1HB LYS 100 1HB LYS 100 -8.853 7.218 -6.290 668 1HG LYS 100 1HG LYS 100 -10.176 8.930 -7.897 669 1HD LYS 100 1HD LYS 100 -10.802 8.283 -5.016 670 1HE LYS 100 1HE LYS 100 -12.708 9.493 -5.914 671 1HZ LYS 100 1HZ LYS 100 -11.916 11.973 -6.538 672 2HZ LYS 100 2HZ LYS 100 -12.304 10.779 -7.680 673 3HZ LYS 100 3HZ LYS 100 -10.683 11.059 -7.266 674 H GLU 101 H GLU 101 -10.423 3.533 -7.695 675 HA GLU 101 HA GLU 101 -8.349 2.546 -6.041 676 1HB GLU 101 1HB GLU 101 -9.165 0.340 -6.645 677 1HG GLU 101 1HG GLU 101 -10.781 1.770 -8.718 678 H LEU 102 H LEU 102 -6.367 2.542 -6.792 679 HA LEU 102 HA LEU 102 -5.523 1.395 -9.181 680 1HB LEU 102 1HB LEU 102 -5.771 4.351 -9.189 681 HG LEU 102 HG LEU 102 -7.266 3.336 -10.672 682 1HD1 LEU 102 1HD1 LEU 102 -5.858 3.587 -12.977 683 2HD1 LEU 102 2HD1 LEU 102 -6.565 4.933 -12.084 684 3HD1 LEU 102 3HD1 LEU 102 -4.864 4.526 -11.865 685 1HD2 LEU 102 1HD2 LEU 102 -6.928 1.375 -11.816 686 2HD2 LEU 102 2HD2 LEU 102 -5.195 1.651 -12.005 687 3HD2 LEU 102 3HD2 LEU 102 -5.838 1.122 -10.435 688 H ILE 103 H ILE 103 -3.723 0.490 -8.614 689 HA ILE 103 HA ILE 103 -1.466 1.824 -7.730 690 HB ILE 103 HB ILE 103 -3.144 0.634 -5.534 691 1HG1 ILE 103 1HG1 ILE 103 -0.864 2.615 -5.298 692 1HG2 ILE 103 1HG2 ILE 103 -1.558 -0.933 -5.107 693 2HG2 ILE 103 2HG2 ILE 103 -0.277 -0.037 -5.924 694 3HG2 ILE 103 3HG2 ILE 103 -0.774 0.424 -4.295 695 1HD1 ILE 103 1HD1 ILE 103 -2.019 1.679 -3.255 696 2HD1 ILE 103 2HD1 ILE 103 -1.949 3.436 -3.401 697 3HD1 ILE 103 3HD1 ILE 103 -3.442 2.578 -3.783 698 H ALA 104 H ALA 104 0.297 0.420 -8.428 699 HA ALA 104 HA ALA 104 0.093 -2.374 -7.982 700 1HB ALA 104 1HB ALA 104 -0.239 -3.211 -10.195 701 2HB ALA 104 2HB ALA 104 -1.562 -2.158 -9.700 702 3HB ALA 104 3HB ALA 104 -0.350 -1.564 -10.830 703 H VAL 105 H VAL 105 2.209 -2.515 -7.342 704 HA VAL 105 HA VAL 105 4.022 -3.038 -9.426 705 HB VAL 105 HB VAL 105 4.062 -0.470 -9.321 706 1HG1 VAL 105 1HG1 VAL 105 4.156 -0.896 -6.695 707 2HG1 VAL 105 2HG1 VAL 105 5.875 -0.614 -7.035 708 3HG1 VAL 105 3HG1 VAL 105 4.678 0.608 -7.480 709 1HG2 VAL 105 1HG2 VAL 105 6.505 -2.181 -9.062 710 2HG2 VAL 105 2HG2 VAL 105 5.839 -1.408 -10.501 711 3HG2 VAL 105 3HG2 VAL 105 6.639 -0.433 -9.267 712 H ARG 106 H ARG 106 6.101 -3.840 -8.544 713 HA ARG 106 HA ARG 106 5.975 -3.900 -5.655 714 1HB ARG 106 1HB ARG 106 6.409 -6.238 -6.312 715 1HG ARG 106 1HG ARG 106 8.992 -5.873 -5.241 716 1HD ARG 106 1HD ARG 106 6.305 -6.821 -4.414 717 HE ARG 106 HE ARG 106 7.880 -7.526 -2.287 718 1HH1 ARG 106 1HH1 ARG 106 7.246 -4.277 -3.412 719 2HH1 ARG 106 2HH1 ARG 106 6.901 -3.649 -1.799 720 1HH2 ARG 106 1HH2 ARG 106 7.310 -6.659 -0.141 721 2HH2 ARG 106 2HH2 ARG 106 6.795 -4.944 -0.064 722 H GLU 107 H GLU 107 7.747 -3.314 -4.706 723 HA GLU 107 HA GLU 107 9.405 -1.486 -6.159 724 1HB GLU 107 1HB GLU 107 10.041 -1.508 -3.418 725 1HG GLU 107 1HG GLU 107 7.070 -1.530 -3.728 726 H ILE 108 H ILE 108 10.988 -2.676 -7.132 727 HA ILE 108 HA ILE 108 13.035 -3.898 -5.615 728 HB ILE 108 HB ILE 108 11.383 -5.714 -7.423 729 1HG1 ILE 108 1HG1 ILE 108 11.822 -5.716 -4.438 730 1HG2 ILE 108 1HG2 ILE 108 13.043 -7.267 -7.413 731 2HG2 ILE 108 2HG2 ILE 108 13.982 -5.775 -7.397 732 3HG2 ILE 108 3HG2 ILE 108 13.741 -6.680 -5.903 733 1HD1 ILE 108 1HD1 ILE 108 11.978 -7.946 -4.461 734 2HD1 ILE 108 2HD1 ILE 108 10.268 -7.912 -4.895 735 3HD1 ILE 108 3HD1 ILE 108 11.497 -8.065 -6.153 736 H SER 109 H SER 109 14.922 -3.608 -6.782 737 HA SER 109 HA SER 109 15.060 -4.174 -9.544 738 1HB SER 109 1HB SER 109 13.897 -1.909 -9.634 739 HG SER 109 HG SER 109 15.955 -1.122 -11.009 740 H GLY 110 H GLY 110 16.919 -5.307 -9.178 741 1HA GLY 110 1HA GLY 110 19.111 -5.745 -8.543 742 2HA GLY 110 2HA GLY 110 19.406 -4.000 -8.521 743 H ASN 111 H ASN 111 19.201 -2.879 -6.716 744 HA ASN 111 HA ASN 111 17.374 -3.798 -4.820 745 1HB ASN 111 1HB ASN 111 18.767 -3.467 -2.750 746 1HD2 ASN 111 1HD2 ASN 111 20.391 -2.321 -2.026 747 2HD2 ASN 111 2HD2 ASN 111 21.965 -2.217 -2.737 748 H GLU 112 H GLU 112 16.245 -2.222 -5.298 749 HA GLU 112 HA GLU 112 16.446 0.216 -3.955 750 1HB GLU 112 1HB GLU 112 16.486 1.793 -5.784 751 1HG GLU 112 1HG GLU 112 16.562 -0.606 -7.578 752 H LEU 113 H LEU 113 14.209 0.999 -3.825 753 HA LEU 113 HA LEU 113 12.496 -1.012 -5.129 754 1HB LEU 113 1HB LEU 113 12.895 -0.102 -2.378 755 HG LEU 113 HG LEU 113 11.867 -2.501 -3.802 756 1HD1 LEU 113 1HD1 LEU 113 14.324 -2.009 -3.161 757 2HD1 LEU 113 2HD1 LEU 113 13.803 -2.605 -1.583 758 3HD1 LEU 113 3HD1 LEU 113 13.635 -3.635 -3.013 759 1HD2 LEU 113 1HD2 LEU 113 10.264 -2.652 -2.261 760 2HD2 LEU 113 2HD2 LEU 113 11.589 -3.385 -1.353 761 3HD2 LEU 113 3HD2 LEU 113 11.161 -1.698 -1.077 762 H ILE 114 H ILE 114 10.260 -0.426 -5.409 763 HA ILE 114 HA ILE 114 9.835 2.410 -6.044 764 HB ILE 114 HB ILE 114 9.137 0.139 -7.893 765 1HG1 ILE 114 1HG1 ILE 114 11.558 0.283 -7.651 766 1HG2 ILE 114 1HG2 ILE 114 8.942 3.114 -8.013 767 2HG2 ILE 114 2HG2 ILE 114 9.180 2.205 -9.506 768 3HG2 ILE 114 3HG2 ILE 114 7.773 1.884 -8.495 769 1HD1 ILE 114 1HD1 ILE 114 12.804 2.257 -8.388 770 2HD1 ILE 114 2HD1 ILE 114 11.293 3.155 -8.541 771 3HD1 ILE 114 3HD1 ILE 114 11.833 2.605 -6.946 772 H GLN 115 H GLN 115 8.101 2.928 -5.044 773 HA GLN 115 HA GLN 115 5.897 1.006 -4.873 774 1HB GLN 115 1HB GLN 115 6.606 3.375 -3.128 775 1HG GLN 115 1HG GLN 115 5.970 0.526 -2.372 776 1HE2 GLN 115 1HE2 GLN 115 8.442 2.101 -0.777 777 2HE2 GLN 115 2HE2 GLN 115 7.576 2.569 0.644 778 H THR 116 H THR 116 4.794 1.341 -6.599 779 HA THR 116 HA THR 116 4.422 4.019 -7.625 780 HB THR 116 HB THR 116 3.636 1.394 -8.898 781 HG1 THR 116 HG1 THR 116 6.043 2.280 -8.436 782 1HG2 THR 116 1HG2 THR 116 3.162 2.572 -10.786 783 2HG2 THR 116 2HG2 THR 116 4.274 3.880 -10.357 784 3HG2 THR 116 3HG2 THR 116 2.702 3.753 -9.558 785 H TYR 117 H TYR 117 2.566 5.017 -7.128 786 HA TYR 117 HA TYR 117 0.283 3.312 -6.387 787 1HB TYR 117 1HB TYR 117 0.622 6.244 -5.644 788 HD1 TYR 117 HD1 TYR 117 -0.293 4.088 -3.000 789 HD2 TYR 117 HD2 TYR 117 3.126 5.731 -4.949 790 HE1 TYR 117 HE1 TYR 117 1.036 3.752 -0.959 791 HE2 TYR 117 HE2 TYR 117 4.464 5.386 -2.920 792 HH TYR 117 HH TYR 117 4.480 4.640 -0.813 793 H THR 118 H THR 118 -1.825 4.364 -6.945 794 HA THR 118 HA THR 118 -1.809 6.136 -9.266 795 HB THR 118 HB THR 118 -3.225 3.448 -9.503 796 HG1 THR 118 HG1 THR 118 -0.626 3.709 -10.556 797 1HG2 THR 118 1HG2 THR 118 -3.661 5.127 -11.227 798 2HG2 THR 118 2HG2 THR 118 -2.592 3.912 -11.926 799 3HG2 THR 118 3HG2 THR 118 -1.934 5.476 -11.412 800 H TYR 119 H TYR 119 -4.251 6.723 -9.829 801 HA TYR 119 HA TYR 119 -6.355 5.956 -8.122 802 1HB TYR 119 1HB TYR 119 -6.690 7.939 -6.711 803 HD1 TYR 119 HD1 TYR 119 -6.576 10.089 -8.000 804 HD2 TYR 119 HD2 TYR 119 -3.103 8.258 -6.329 805 HE1 TYR 119 HE1 TYR 119 -5.353 12.208 -8.245 806 HE2 TYR 119 HE2 TYR 119 -1.876 10.392 -6.580 807 HH TYR 119 HH TYR 119 -1.899 12.466 -7.383 808 H GLU 120 H GLU 120 -7.877 6.152 -9.557 809 HA GLU 120 HA GLU 120 -9.174 6.994 -11.249 810 1HB GLU 120 1HB GLU 120 -7.628 9.585 -11.134 811 1HG GLU 120 1HG GLU 120 -10.127 9.077 -9.563 812 H GLY 121 H GLY 121 -5.998 8.473 -11.527 813 1HA GLY 121 1HA GLY 121 -4.881 6.483 -12.868 814 2HA GLY 121 2HA GLY 121 -5.390 7.553 -14.188 815 H VAL 122 H VAL 122 -3.096 6.906 -11.758 816 HA VAL 122 HA VAL 122 -1.298 8.770 -12.870 817 HB VAL 122 HB VAL 122 -2.201 10.513 -11.572 818 1HG1 VAL 122 1HG1 VAL 122 -2.830 8.342 -9.732 819 2HG1 VAL 122 2HG1 VAL 122 -2.387 9.869 -8.968 820 3HG1 VAL 122 3HG1 VAL 122 -3.723 9.813 -10.116 821 1HG2 VAL 122 1HG2 VAL 122 0.143 9.267 -10.175 822 2HG2 VAL 122 2HG2 VAL 122 0.094 10.697 -11.203 823 3HG2 VAL 122 3HG2 VAL 122 -0.576 10.763 -9.568 824 H GLU 123 H GLU 123 0.295 7.440 -13.040 825 HA GLU 123 HA GLU 123 0.929 5.743 -10.737 826 1HB GLU 123 1HB GLU 123 0.940 4.261 -12.478 827 1HG GLU 123 1HG GLU 123 3.609 5.431 -13.156 828 H ALA 124 H ALA 124 2.693 6.176 -9.592 829 HA ALA 124 HA ALA 124 4.860 7.822 -10.519 830 1HB ALA 124 1HB ALA 124 2.558 8.971 -9.003 831 2HB ALA 124 2HB ALA 124 4.184 9.521 -8.586 832 3HB ALA 124 3HB ALA 124 3.585 9.714 -10.233 833 H LYS 125 H LYS 125 6.586 7.795 -9.072 834 HA LYS 125 HA LYS 125 6.272 6.567 -6.440 835 1HB LYS 125 1HB LYS 125 8.354 5.191 -7.929 836 1HG LYS 125 1HG LYS 125 6.909 3.655 -9.166 837 1HD LYS 125 1HD LYS 125 6.556 6.486 -10.082 838 1HE LYS 125 1HE LYS 125 4.990 5.157 -11.209 839 1HZ LYS 125 1HZ LYS 125 7.166 3.144 -11.577 840 2HZ LYS 125 2HZ LYS 125 5.686 3.101 -12.409 841 3HZ LYS 125 3HZ LYS 125 5.709 2.931 -10.715 842 H ARG 126 H ARG 126 8.409 6.371 -5.290 843 HA ARG 126 HA ARG 126 10.653 7.845 -6.204 844 1HB ARG 126 1HB ARG 126 10.279 9.896 -5.436 845 1HG ARG 126 1HG ARG 126 10.446 8.542 -2.961 846 1HD ARG 126 1HD ARG 126 9.080 11.104 -2.573 847 HE ARG 126 HE ARG 126 10.300 9.395 -0.906 848 1HH1 ARG 126 1HH1 ARG 126 6.953 10.414 -1.148 849 2HH1 ARG 126 2HH1 ARG 126 6.620 10.097 0.531 850 1HH2 ARG 126 1HH2 ARG 126 9.874 8.967 1.264 851 2HH2 ARG 126 2HH2 ARG 126 8.257 9.298 1.924 852 H ILE 127 H ILE 127 12.024 6.310 -5.494 853 HA ILE 127 HA ILE 127 12.399 5.947 -2.713 854 HB ILE 127 HB ILE 127 11.964 3.266 -3.872 855 1HG1 ILE 127 1HG1 ILE 127 9.582 5.031 -3.127 856 1HG2 ILE 127 1HG2 ILE 127 10.848 4.066 -1.262 857 2HG2 ILE 127 2HG2 ILE 127 11.826 2.660 -1.710 858 3HG2 ILE 127 3HG2 ILE 127 12.594 4.237 -1.460 859 1HD1 ILE 127 1HD1 ILE 127 8.254 3.220 -2.760 860 2HD1 ILE 127 2HD1 ILE 127 9.337 2.108 -3.602 861 3HD1 ILE 127 3HD1 ILE 127 9.759 2.703 -1.996 862 H PHE 128 H PHE 128 14.399 5.120 -2.309 863 HA PHE 128 HA PHE 128 15.342 3.272 -4.191 864 1HB PHE 128 1HB PHE 128 17.171 5.591 -3.568 865 HD1 PHE 128 HD1 PHE 128 16.047 7.234 -4.893 866 HD2 PHE 128 HD2 PHE 128 16.817 3.356 -6.450 867 HE1 PHE 128 HE1 PHE 128 15.278 7.991 -7.106 868 HE2 PHE 128 HE2 PHE 128 16.099 4.105 -8.686 869 HZ PHE 128 HZ PHE 128 15.324 6.426 -9.015 870 H LYS 129 H LYS 129 15.399 1.746 -3.143 871 HA LYS 129 HA LYS 129 15.657 1.921 -0.254 872 1HB LYS 129 1HB LYS 129 14.076 0.147 -2.066 873 1HG LYS 129 1HG LYS 129 13.404 2.053 0.105 874 1HD LYS 129 1HD LYS 129 11.939 -0.350 -0.854 875 1HE LYS 129 1HE LYS 129 10.272 1.347 -0.999 876 1HZ LYS 129 1HZ LYS 129 10.291 1.988 1.825 877 2HZ LYS 129 2HZ LYS 129 10.004 2.996 0.494 878 3HZ LYS 129 3HZ LYS 129 11.592 2.650 0.971 879 H LYS 130 H LYS 130 15.885 -0.031 0.859 880 HA LYS 130 HA LYS 130 16.849 -1.858 1.614 881 1HB LYS 130 1HB LYS 130 15.747 -2.466 -0.585 882 1HG LYS 130 1HG LYS 130 17.919 -4.251 0.442 883 1HD LYS 130 1HD LYS 130 15.593 -4.624 -1.390 884 1HE LYS 130 1HE LYS 130 15.094 -6.040 0.522 885 1HZ LYS 130 1HZ LYS 130 16.807 -6.835 1.677 886 2HZ LYS 130 2HZ LYS 130 17.908 -6.568 0.408 887 3HZ LYS 130 3HZ LYS 130 16.990 -7.994 0.446 888 H GLU 131 H GLU 131 18.630 -2.053 2.619 889 HA GLU 131 HA GLU 131 21.120 -0.962 1.821 890 1HB GLU 131 1HB GLU 131 20.476 -1.262 4.163 891 1HG GLU 131 1HG GLU 131 22.780 -3.112 3.635 Start of MODEL 4 1 1H ALA 1 1H ALA 1 13.253 -13.208 -1.922 2 2H ALA 1 2H ALA 1 11.799 -13.830 -1.313 3 3H ALA 1 3H ALA 1 13.227 -13.964 -0.406 4 HA ALA 1 HA ALA 1 13.307 -11.696 0.059 5 1HB ALA 1 1HB ALA 1 12.021 -11.476 -2.439 6 2HB ALA 1 2HB ALA 1 10.961 -10.712 -1.255 7 3HB ALA 1 3HB ALA 1 12.633 -10.176 -1.416 8 H PHE 2 H PHE 2 10.615 -10.394 0.286 9 HA PHE 2 HA PHE 2 8.845 -10.299 1.699 10 1HB PHE 2 1HB PHE 2 9.014 -13.290 1.352 11 HD1 PHE 2 HD1 PHE 2 5.929 -13.362 1.249 12 HD2 PHE 2 HD2 PHE 2 8.857 -11.007 -0.746 13 HE1 PHE 2 HE1 PHE 2 4.382 -13.045 -0.637 14 HE2 PHE 2 HE2 PHE 2 7.318 -10.688 -2.635 15 HZ PHE 2 HZ PHE 2 5.077 -11.707 -2.584 16 H ASP 3 H ASP 3 11.503 -10.167 2.649 17 HA ASP 3 HA ASP 3 11.069 -10.313 5.456 18 1HB ASP 3 1HB ASP 3 11.635 -12.745 4.639 19 H GLY 4 H GLY 4 11.908 -8.503 3.379 20 1HA GLY 4 1HA GLY 4 14.708 -8.011 4.102 21 2HA GLY 4 2HA GLY 4 13.913 -7.405 2.645 22 H THR 5 H THR 5 15.232 -5.568 4.042 23 HA THR 5 HA THR 5 13.065 -3.871 4.649 24 HB THR 5 HB THR 5 13.572 -4.594 6.974 25 HG1 THR 5 HG1 THR 5 13.395 -2.208 5.987 26 1HG2 THR 5 1HG2 THR 5 15.829 -5.264 6.980 27 2HG2 THR 5 2HG2 THR 5 15.822 -3.756 7.896 28 3HG2 THR 5 3HG2 THR 5 16.366 -3.765 6.218 29 H TRP 6 H TRP 6 13.538 -1.946 3.855 30 HA TRP 6 HA TRP 6 16.179 -1.408 2.967 31 1HB TRP 6 1HB TRP 6 14.667 -1.392 0.654 32 HD1 TRP 6 HD1 TRP 6 15.486 -4.694 0.167 33 HE1 TRP 6 HE1 TRP 6 13.469 -6.282 0.163 34 HE3 TRP 6 HE3 TRP 6 12.145 -1.742 2.673 35 HZ2 TRP 6 HZ2 TRP 6 10.805 -6.254 1.023 36 HZ3 TRP 6 HZ3 TRP 6 9.858 -2.600 2.980 37 HH2 TRP 6 HH2 TRP 6 9.216 -4.810 2.199 38 H LYS 7 H LYS 7 16.101 0.920 2.219 39 HA LYS 7 HA LYS 7 13.530 2.085 2.671 40 1HB LYS 7 1HB LYS 7 14.644 3.080 4.931 41 1HG LYS 7 1HG LYS 7 15.203 1.121 6.307 42 1HD LYS 7 1HD LYS 7 17.187 1.424 4.063 43 1HE LYS 7 1HE LYS 7 17.489 0.784 6.992 44 1HZ LYS 7 1HZ LYS 7 19.500 1.668 6.792 45 2HZ LYS 7 2HZ LYS 7 19.313 1.931 5.131 46 3HZ LYS 7 3HZ LYS 7 19.883 0.433 5.694 47 H VAL 8 H VAL 8 13.423 3.994 1.875 48 HA VAL 8 HA VAL 8 14.751 6.115 2.924 49 HB VAL 8 HB VAL 8 15.124 6.923 0.242 50 1HG1 VAL 8 1HG1 VAL 8 16.549 6.992 2.761 51 2HG1 VAL 8 2HG1 VAL 8 17.640 6.917 1.374 52 3HG1 VAL 8 3HG1 VAL 8 16.431 8.201 1.469 53 1HG2 VAL 8 1HG2 VAL 8 17.364 5.123 0.515 54 2HG2 VAL 8 2HG2 VAL 8 15.818 4.304 0.257 55 3HG2 VAL 8 3HG2 VAL 8 16.351 5.545 -0.886 56 H ASP 9 H ASP 9 13.346 4.949 0.103 57 HA ASP 9 HA ASP 9 11.785 7.390 -0.087 58 1HB ASP 9 1HB ASP 9 13.272 5.627 -1.931 59 H ARG 10 H ARG 10 10.187 6.853 -2.058 60 HA ARG 10 HA ARG 10 8.254 4.823 -1.563 61 1HB ARG 10 1HB ARG 10 6.594 6.108 -0.429 62 1HG ARG 10 1HG ARG 10 8.365 8.493 -0.136 63 1HD ARG 10 1HD ARG 10 6.282 9.679 0.122 64 HE ARG 10 HE ARG 10 6.754 8.788 2.248 65 1HH1 ARG 10 1HH1 ARG 10 4.732 6.635 0.365 66 2HH1 ARG 10 2HH1 ARG 10 4.412 5.566 1.698 67 1HH2 ARG 10 1HH2 ARG 10 6.332 7.352 4.015 68 2HH2 ARG 10 2HH2 ARG 10 5.334 5.953 3.754 69 H ASN 11 H ASN 11 6.081 6.237 -2.643 70 HA ASN 11 HA ASN 11 7.419 7.358 -4.996 71 1HB ASN 11 1HB ASN 11 5.738 6.519 -6.194 72 1HD2 ASN 11 1HD2 ASN 11 4.394 8.591 -3.744 73 2HD2 ASN 11 2HD2 ASN 11 2.926 8.967 -4.610 74 H GLU 12 H GLU 12 6.622 9.561 -5.581 75 HA GLU 12 HA GLU 12 6.231 10.932 -3.030 76 1HB GLU 12 1HB GLU 12 6.613 12.119 -5.804 77 1HG GLU 12 1HG GLU 12 8.672 13.125 -4.749 78 H ASN 13 H ASN 13 4.469 11.368 -2.487 79 HA ASN 13 HA ASN 13 2.141 11.724 -4.105 80 1HB ASN 13 1HB ASN 13 2.829 12.120 -1.200 81 1HD2 ASN 13 1HD2 ASN 13 0.786 10.391 -3.410 82 2HD2 ASN 13 2HD2 ASN 13 0.744 8.893 -2.514 83 H TYR 14 H TYR 14 4.564 13.115 -2.274 84 HA TYR 14 HA TYR 14 4.401 15.754 -2.516 85 1HB TYR 14 1HB TYR 14 6.289 14.745 -1.416 86 HD1 TYR 14 HD1 TYR 14 8.712 14.322 -3.783 87 HD2 TYR 14 HD2 TYR 14 6.304 17.426 -2.154 88 HE1 TYR 14 HE1 TYR 14 10.374 15.994 -4.501 89 HE2 TYR 14 HE2 TYR 14 7.940 19.092 -2.880 90 HH TYR 14 HH TYR 14 10.822 18.189 -4.726 91 H GLU 15 H GLU 15 4.278 13.548 -5.093 92 HA GLU 15 HA GLU 15 5.076 15.636 -6.924 93 1HB GLU 15 1HB GLU 15 6.108 14.194 -8.433 94 1HG GLU 15 1HG GLU 15 5.406 11.731 -6.903 95 H LYS 16 H LYS 16 3.148 12.897 -6.305 96 HA LYS 16 HA LYS 16 1.364 13.193 -8.509 97 1HB LYS 16 1HB LYS 16 0.285 12.453 -5.853 98 1HG LYS 16 1HG LYS 16 2.242 10.592 -7.077 99 1HD LYS 16 1HD LYS 16 1.579 9.899 -4.545 100 1HE LYS 16 1HE LYS 16 0.542 8.979 -7.211 101 1HZ LYS 16 1HZ LYS 16 -0.458 7.152 -6.290 102 2HZ LYS 16 2HZ LYS 16 -0.902 8.369 -5.197 103 3HZ LYS 16 3HZ LYS 16 0.356 7.302 -4.814 104 H PHE 17 H PHE 17 1.153 14.037 -5.220 105 HA PHE 17 HA PHE 17 -1.242 15.639 -5.673 106 1HB PHE 17 1HB PHE 17 0.582 15.730 -3.272 107 HD1 PHE 17 HD1 PHE 17 -1.959 14.683 -1.627 108 HD2 PHE 17 HD2 PHE 17 0.489 12.977 -4.677 109 HE1 PHE 17 HE1 PHE 17 -2.638 12.409 -0.948 110 HE2 PHE 17 HE2 PHE 17 -0.252 10.811 -4.088 111 HZ PHE 17 HZ PHE 17 -1.739 10.453 -2.189 112 H MET 18 H MET 18 2.090 15.798 -6.024 113 HA MET 18 HA MET 18 2.208 18.646 -5.723 114 1HB MET 18 1HB MET 18 4.335 17.918 -5.565 115 1HG MET 18 1HG MET 18 3.910 17.774 -8.544 116 1HE MET 18 1HE MET 18 6.032 17.295 -10.306 117 2HE MET 18 2HE MET 18 6.216 18.948 -9.719 118 3HE MET 18 3HE MET 18 7.613 17.872 -9.779 119 H GLU 19 H GLU 19 1.553 16.309 -8.173 120 HA GLU 19 HA GLU 19 1.595 18.294 -10.250 121 1HB GLU 19 1HB GLU 19 0.595 15.446 -10.242 122 1HG GLU 19 1HG GLU 19 3.262 16.632 -10.929 123 H LYS 20 H LYS 20 -0.668 16.559 -8.263 124 HA LYS 20 HA LYS 20 -2.839 17.719 -9.859 125 1HB LYS 20 1HB LYS 20 -3.942 15.543 -9.789 126 1HG LYS 20 1HG LYS 20 -1.415 14.536 -8.438 127 1HD LYS 20 1HD LYS 20 -2.255 12.886 -9.956 128 1HE LYS 20 1HE LYS 20 -4.480 13.824 -10.396 129 1HZ LYS 20 1HZ LYS 20 -6.071 12.638 -8.503 130 2HZ LYS 20 2HZ LYS 20 -5.792 14.301 -8.692 131 3HZ LYS 20 3HZ LYS 20 -4.856 13.406 -7.608 132 H MET 21 H MET 21 -2.308 15.998 -6.826 133 HA MET 21 HA MET 21 -4.775 16.033 -5.803 134 1HB MET 21 1HB MET 21 -3.185 14.782 -4.662 135 1HG MET 21 1HG MET 21 -2.997 15.559 -2.389 136 1HE MET 21 1HE MET 21 -4.126 13.466 -2.939 137 2HE MET 21 2HE MET 21 -5.771 13.212 -2.347 138 3HE MET 21 3HE MET 21 -5.483 13.484 -4.064 139 H GLY 22 H GLY 22 -2.320 18.341 -4.849 140 1HA GLY 22 1HA GLY 22 -4.329 20.470 -4.559 141 2HA GLY 22 2HA GLY 22 -3.577 19.905 -3.065 142 H ILE 23 H ILE 23 -1.163 19.266 -4.383 143 HA ILE 23 HA ILE 23 0.864 20.039 -4.749 144 HB ILE 23 HB ILE 23 1.074 20.962 -6.863 145 1HG1 ILE 23 1HG1 ILE 23 -1.698 22.156 -6.882 146 1HG2 ILE 23 1HG2 ILE 23 -1.766 20.041 -7.128 147 2HG2 ILE 23 2HG2 ILE 23 -0.368 19.670 -8.133 148 3HG2 ILE 23 3HG2 ILE 23 -0.537 18.899 -6.542 149 1HD1 ILE 23 1HD1 ILE 23 -1.063 22.421 -9.007 150 2HD1 ILE 23 2HD1 ILE 23 -0.167 23.796 -8.364 151 3HD1 ILE 23 3HD1 ILE 23 0.652 22.257 -8.632 152 H ASN 24 H ASN 24 0.907 23.058 -5.736 153 HA ASN 24 HA ASN 24 1.363 25.101 -4.872 154 1HB ASN 24 1HB ASN 24 -0.767 24.401 -3.428 155 1HD2 ASN 24 1HD2 ASN 24 -1.777 26.228 -3.696 156 2HD2 ASN 24 2HD2 ASN 24 -1.178 27.800 -3.283 157 H VAL 25 H VAL 25 2.101 25.448 -1.991 158 HA VAL 25 HA VAL 25 4.878 24.981 -2.330 159 HB VAL 25 HB VAL 25 5.051 25.912 0.018 160 1HG1 VAL 25 1HG1 VAL 25 4.818 27.138 -2.353 161 2HG1 VAL 25 2HG1 VAL 25 3.433 27.842 -1.520 162 3HG1 VAL 25 3HG1 VAL 25 5.050 28.004 -0.835 163 1HG2 VAL 25 1HG2 VAL 25 2.383 27.023 0.002 164 2HG2 VAL 25 2HG2 VAL 25 2.340 25.263 0.109 165 3HG2 VAL 25 3HG2 VAL 25 3.250 26.199 1.298 166 H VAL 26 H VAL 26 4.082 22.490 -2.495 167 HA VAL 26 HA VAL 26 4.423 20.377 -1.708 168 HB VAL 26 HB VAL 26 6.215 21.740 0.325 169 1HG1 VAL 26 1HG1 VAL 26 7.523 19.553 -0.006 170 2HG1 VAL 26 2HG1 VAL 26 6.071 19.507 0.992 171 3HG1 VAL 26 3HG1 VAL 26 6.018 18.913 -0.671 172 1HG2 VAL 26 1HG2 VAL 26 7.362 22.465 -1.444 173 2HG2 VAL 26 2HG2 VAL 26 7.819 20.781 -1.696 174 3HG2 VAL 26 3HG2 VAL 26 6.440 21.458 -2.560 175 H LYS 27 H LYS 27 2.064 21.265 -0.929 176 HA LYS 27 HA LYS 27 1.735 21.243 1.914 177 1HB LYS 27 1HB LYS 27 -0.257 21.231 -0.352 178 1HG LYS 27 1HG LYS 27 0.995 23.334 -0.028 179 1HD LYS 27 1HD LYS 27 1.389 23.089 2.400 180 1HE LYS 27 1HE LYS 27 -1.472 23.958 2.734 181 1HZ LYS 27 1HZ LYS 27 0.743 23.314 4.554 182 2HZ LYS 27 2HZ LYS 27 -0.848 23.009 5.049 183 3HZ LYS 27 3HZ LYS 27 -0.379 24.587 4.632 184 H ARG 28 H ARG 28 -0.166 19.215 -0.307 185 HA ARG 28 HA ARG 28 -0.206 17.121 1.683 186 1HB ARG 28 1HB ARG 28 -2.158 17.850 0.180 187 1HG ARG 28 1HG ARG 28 -2.725 15.310 -0.348 188 1HD ARG 28 1HD ARG 28 -3.908 16.651 1.286 189 HE ARG 28 HE ARG 28 -1.477 16.713 2.744 190 1HH1 ARG 28 1HH1 ARG 28 -4.947 16.502 3.200 191 2HH1 ARG 28 2HH1 ARG 28 -4.909 17.256 4.771 192 1HH2 ARG 28 1HH2 ARG 28 -1.414 17.667 4.798 193 2HH2 ARG 28 2HH2 ARG 28 -2.894 17.932 5.678 194 H LYS 29 H LYS 29 2.422 17.554 0.572 195 HA LYS 29 HA LYS 29 2.868 15.213 -1.142 196 1HB LYS 29 1HB LYS 29 5.065 16.732 0.163 197 1HG LYS 29 1HG LYS 29 3.615 18.412 -0.941 198 1HD LYS 29 1HD LYS 29 3.926 18.565 -3.425 199 1HE LYS 29 1HE LYS 29 2.074 16.777 -3.786 200 1HZ LYS 29 1HZ LYS 29 2.097 19.433 -3.098 201 2HZ LYS 29 2HZ LYS 29 1.011 18.745 -1.990 202 3HZ LYS 29 3HZ LYS 29 0.755 18.562 -3.649 203 H LEU 30 H LEU 30 2.459 13.517 -0.116 204 HA LEU 30 HA LEU 30 3.615 13.000 2.539 205 1HB LEU 30 1HB LEU 30 1.999 11.102 0.830 206 HG LEU 30 HG LEU 30 0.630 13.145 1.383 207 1HD1 LEU 30 1HD1 LEU 30 -0.781 11.428 0.965 208 2HD1 LEU 30 2HD1 LEU 30 -0.005 10.359 2.134 209 3HD1 LEU 30 3HD1 LEU 30 -1.120 11.610 2.685 210 1HD2 LEU 30 1HD2 LEU 30 0.480 13.951 3.453 211 2HD2 LEU 30 2HD2 LEU 30 0.235 12.347 4.146 212 3HD2 LEU 30 3HD2 LEU 30 1.869 12.934 3.834 213 H GLY 31 H GLY 31 4.242 13.338 -0.520 214 1HA GLY 31 1HA GLY 31 5.575 11.086 -1.432 215 2HA GLY 31 2HA GLY 31 5.771 12.729 -1.973 216 H ALA 32 H ALA 32 6.806 14.080 -0.149 217 HA ALA 32 HA ALA 32 9.184 12.678 0.874 218 1HB ALA 32 1HB ALA 32 9.268 14.214 -1.376 219 2HB ALA 32 2HB ALA 32 9.715 15.375 -0.128 220 3HB ALA 32 3HB ALA 32 10.641 13.887 -0.321 221 H HIS 33 H HIS 33 9.972 13.409 2.790 222 HA HIS 33 HA HIS 33 9.364 15.925 3.895 223 1HB HIS 33 1HB HIS 33 7.956 15.197 5.821 224 HD1 HIS 33 HD1 HIS 33 7.353 12.512 3.176 225 HD2 HIS 33 HD2 HIS 33 7.342 13.056 7.288 226 HE1 HIS 33 HE1 HIS 33 6.628 10.306 4.143 227 HE2 HIS 33 HE2 HIS 33 6.350 10.769 6.612 228 H ALA 34 H ALA 34 10.398 12.597 4.452 229 HA ALA 34 HA ALA 34 12.831 13.426 5.552 230 1HB ALA 34 1HB ALA 34 11.646 14.037 7.541 231 2HB ALA 34 2HB ALA 34 10.842 12.470 7.599 232 3HB ALA 34 3HB ALA 34 12.580 12.579 7.877 233 H ASN 35 H ASN 35 13.484 11.263 7.186 234 HA ASN 35 HA ASN 35 13.963 9.238 5.262 235 1HB ASN 35 1HB ASN 35 14.444 9.405 8.226 236 1HD2 ASN 35 1HD2 ASN 35 15.257 10.659 5.416 237 2HD2 ASN 35 2HD2 ASN 35 16.974 10.806 5.607 238 H LEU 36 H LEU 36 13.527 6.838 5.789 239 HA LEU 36 HA LEU 36 11.210 6.175 7.229 240 1HB LEU 36 1HB LEU 36 9.833 5.456 5.301 241 HG LEU 36 HG LEU 36 11.965 6.831 3.720 242 1HD1 LEU 36 1HD1 LEU 36 10.779 4.800 2.251 243 2HD1 LEU 36 2HD1 LEU 36 12.313 4.723 3.132 244 3HD1 LEU 36 3HD1 LEU 36 10.817 4.186 3.906 245 1HD2 LEU 36 1HD2 LEU 36 9.511 7.814 3.463 246 2HD2 LEU 36 2HD2 LEU 36 10.555 7.562 2.066 247 3HD2 LEU 36 3HD2 LEU 36 9.304 6.384 2.455 248 H LYS 37 H LYS 37 11.025 3.847 7.368 249 HA LYS 37 HA LYS 37 12.962 2.622 5.677 250 1HB LYS 37 1HB LYS 37 13.830 1.108 7.471 251 1HG LYS 37 1HG LYS 37 13.837 1.874 9.761 252 1HD LYS 37 1HD LYS 37 10.956 1.647 9.072 253 1HE LYS 37 1HE LYS 37 11.660 1.770 11.434 254 1HZ LYS 37 1HZ LYS 37 12.681 -0.515 12.175 255 2HZ LYS 37 2HZ LYS 37 13.673 0.784 11.720 256 3HZ LYS 37 3HZ LYS 37 13.362 -0.471 10.620 257 H LEU 38 H LEU 38 12.504 0.485 4.935 258 HA LEU 38 HA LEU 38 9.699 -0.145 5.549 259 1HB LEU 38 1HB LEU 38 11.248 0.304 3.111 260 HG LEU 38 HG LEU 38 8.307 0.372 3.804 261 1HD1 LEU 38 1HD1 LEU 38 10.356 2.446 3.122 262 2HD1 LEU 38 2HD1 LEU 38 8.623 2.765 3.052 263 3HD1 LEU 38 3HD1 LEU 38 9.373 2.302 4.579 264 1HD2 LEU 38 1HD2 LEU 38 8.374 1.461 1.354 265 2HD2 LEU 38 2HD2 LEU 38 9.589 0.195 1.172 266 3HD2 LEU 38 3HD2 LEU 38 7.951 -0.220 1.677 267 H THR 39 H THR 39 9.178 -2.164 6.048 268 HA THR 39 HA THR 39 11.140 -4.317 5.608 269 HB THR 39 HB THR 39 9.622 -3.668 8.151 270 HG1 THR 39 HG1 THR 39 12.290 -3.127 7.331 271 1HG2 THR 39 1HG2 THR 39 11.007 -5.434 9.185 272 2HG2 THR 39 2HG2 THR 39 11.839 -5.715 7.656 273 3HG2 THR 39 3HG2 THR 39 10.125 -6.100 7.811 274 H ILE 40 H ILE 40 9.667 -6.614 6.238 275 HA ILE 40 HA ILE 40 6.873 -6.276 6.040 276 HB ILE 40 HB ILE 40 6.386 -7.297 3.939 277 1HG1 ILE 40 1HG1 ILE 40 8.265 -8.776 3.801 278 1HG2 ILE 40 1HG2 ILE 40 7.079 -4.760 3.952 279 2HG2 ILE 40 2HG2 ILE 40 8.268 -5.352 2.790 280 3HG2 ILE 40 3HG2 ILE 40 6.546 -5.594 2.490 281 1HD1 ILE 40 1HD1 ILE 40 9.997 -7.136 2.193 282 2HD1 ILE 40 2HD1 ILE 40 9.894 -6.548 3.860 283 3HD1 ILE 40 3HD1 ILE 40 10.373 -8.219 3.533 284 H THR 41 H THR 41 6.571 -7.907 7.563 285 HA THR 41 HA THR 41 7.318 -10.588 6.765 286 HB THR 41 HB THR 41 9.445 -9.528 7.410 287 HG1 THR 41 HG1 THR 41 10.007 -11.515 7.883 288 1HG2 THR 41 1HG2 THR 41 8.074 -9.145 9.994 289 2HG2 THR 41 2HG2 THR 41 9.248 -8.135 9.130 290 3HG2 THR 41 3HG2 THR 41 9.790 -9.574 10.015 291 H GLN 42 H GLN 42 5.950 -12.083 7.575 292 HA GLN 42 HA GLN 42 5.132 -12.201 10.246 293 1HB GLN 42 1HB GLN 42 3.655 -10.353 9.888 294 1HG GLN 42 1HG GLN 42 1.369 -11.506 9.834 295 1HE2 GLN 42 1HE2 GLN 42 3.999 -10.723 11.481 296 2HE2 GLN 42 2HE2 GLN 42 3.566 -11.245 13.071 297 H GLU 43 H GLU 43 3.196 -12.723 7.340 298 HA GLU 43 HA GLU 43 3.148 -15.529 8.011 299 1HB GLU 43 1HB GLU 43 1.161 -13.993 6.330 300 1HG GLU 43 1HG GLU 43 1.109 -13.373 8.753 301 H GLY 44 H GLY 44 2.777 -16.936 5.735 302 1HA GLY 44 1HA GLY 44 4.524 -15.412 3.928 303 2HA GLY 44 2HA GLY 44 4.584 -17.172 3.978 304 H ASN 45 H ASN 45 2.680 -14.515 3.551 305 HA ASN 45 HA ASN 45 2.636 -14.550 0.924 306 1HB ASN 45 1HB ASN 45 0.177 -14.664 0.301 307 1HD2 ASN 45 1HD2 ASN 45 0.786 -15.831 3.602 308 2HD2 ASN 45 2HD2 ASN 45 -0.888 -16.009 4.017 309 H LYS 46 H LYS 46 3.389 -12.677 1.860 310 HA LYS 46 HA LYS 46 1.516 -10.573 2.326 311 1HB LYS 46 1HB LYS 46 2.597 -12.138 4.616 312 1HG LYS 46 1HG LYS 46 0.282 -10.218 4.506 313 1HD LYS 46 1HD LYS 46 -0.451 -11.739 6.424 314 1HE LYS 46 1HE LYS 46 1.166 -10.547 8.038 315 1HZ LYS 46 1HZ LYS 46 -0.321 -8.769 6.186 316 2HZ LYS 46 2HZ LYS 46 -0.051 -8.564 7.846 317 3HZ LYS 46 3HZ LYS 46 -1.107 -9.773 7.306 318 H PHE 47 H PHE 47 2.628 -8.682 3.136 319 HA PHE 47 HA PHE 47 5.497 -8.633 3.119 320 1HB PHE 47 1HB PHE 47 4.881 -6.522 1.356 321 HD1 PHE 47 HD1 PHE 47 2.299 -6.554 1.358 322 HD2 PHE 47 HD2 PHE 47 4.685 -9.495 -0.583 323 HE1 PHE 47 HE1 PHE 47 0.338 -7.308 0.099 324 HE2 PHE 47 HE2 PHE 47 2.724 -10.241 -1.867 325 HZ PHE 47 HZ PHE 47 0.543 -9.153 -1.522 326 H THR 48 H THR 48 5.356 -7.814 5.199 327 HA THR 48 HA THR 48 4.003 -5.248 5.536 328 HB THR 48 HB THR 48 3.045 -7.820 6.792 329 HG1 THR 48 HG1 THR 48 1.664 -5.757 5.490 330 1HG2 THR 48 1HG2 THR 48 1.678 -6.567 8.314 331 2HG2 THR 48 2HG2 THR 48 2.174 -5.038 7.575 332 3HG2 THR 48 3HG2 THR 48 3.353 -6.004 8.485 333 H VAL 49 H VAL 49 5.682 -4.233 6.455 334 HA VAL 49 HA VAL 49 5.683 -4.348 9.147 335 HB VAL 49 HB VAL 49 8.279 -5.452 8.017 336 1HG1 VAL 49 1HG1 VAL 49 7.715 -4.215 10.719 337 2HG1 VAL 49 2HG1 VAL 49 9.103 -5.269 10.427 338 3HG1 VAL 49 3HG1 VAL 49 8.936 -3.759 9.521 339 1HG2 VAL 49 1HG2 VAL 49 6.160 -6.737 9.386 340 2HG2 VAL 49 2HG2 VAL 49 7.663 -7.399 8.684 341 3HG2 VAL 49 3HG2 VAL 49 7.637 -6.810 10.364 342 H LYS 50 H LYS 50 5.867 -1.851 9.194 343 HA LYS 50 HA LYS 50 8.520 -1.181 8.816 344 1HB LYS 50 1HB LYS 50 8.049 0.582 6.887 345 1HG LYS 50 1HG LYS 50 6.088 -1.565 6.495 346 1HD LYS 50 1HD LYS 50 7.492 -0.227 4.207 347 1HE LYS 50 1HE LYS 50 6.220 -2.094 2.974 348 1HZ LYS 50 1HZ LYS 50 4.147 -0.685 2.937 349 2HZ LYS 50 2HZ LYS 50 5.580 0.107 2.529 350 3HZ LYS 50 3HZ LYS 50 4.896 0.332 4.061 351 H GLU 51 H GLU 51 8.450 -0.040 10.678 352 HA GLU 51 HA GLU 51 6.619 2.313 10.681 353 1HB GLU 51 1HB GLU 51 8.138 1.190 13.052 354 1HG GLU 51 1HG GLU 51 5.711 0.298 13.623 355 H SER 52 H SER 52 8.117 3.532 9.321 356 HA SER 52 HA SER 52 9.469 5.261 11.050 357 1HB SER 52 1HB SER 52 11.542 4.541 11.028 358 HG SER 52 HG SER 52 12.146 4.177 8.426 359 H SER 53 H SER 53 8.990 7.155 10.381 360 HA SER 53 HA SER 53 9.568 8.131 7.827 361 1HB SER 53 1HB SER 53 6.650 7.588 8.394 362 HG SER 53 HG SER 53 8.273 6.293 6.954 363 H ASN 54 H ASN 54 10.548 9.825 8.777 364 HA ASN 54 HA ASN 54 10.865 11.826 9.781 365 1HB ASN 54 1HB ASN 54 9.102 12.514 8.219 366 1HD2 ASN 54 1HD2 ASN 54 9.950 14.490 8.208 367 2HD2 ASN 54 2HD2 ASN 54 9.720 15.692 9.430 368 H PHE 55 H PHE 55 7.656 11.027 11.181 369 HA PHE 55 HA PHE 55 8.846 10.853 13.836 370 1HB PHE 55 1HB PHE 55 8.398 13.270 13.514 371 HD1 PHE 55 HD1 PHE 55 9.086 11.604 15.777 372 HD2 PHE 55 HD2 PHE 55 5.500 13.754 14.989 373 HE1 PHE 55 HE1 PHE 55 8.637 11.732 18.193 374 HE2 PHE 55 HE2 PHE 55 5.046 13.887 17.402 375 HZ PHE 55 HZ PHE 55 6.617 12.875 19.008 376 H ARG 56 H ARG 56 6.028 10.624 11.752 377 HA ARG 56 HA ARG 56 4.772 8.757 13.662 378 1HB ARG 56 1HB ARG 56 3.311 10.536 12.682 379 1HG ARG 56 1HG ARG 56 2.717 7.711 11.869 380 1HD ARG 56 1HD ARG 56 0.339 8.557 11.684 381 HE ARG 56 HE ARG 56 1.562 9.797 9.428 382 1HH1 ARG 56 1HH1 ARG 56 0.989 6.699 10.976 383 2HH1 ARG 56 2HH1 ARG 56 1.247 5.788 9.512 384 1HH2 ARG 56 1HH2 ARG 56 1.906 8.575 7.508 385 2HH2 ARG 56 2HH2 ARG 56 1.760 6.839 7.574 386 H ASN 57 H ASN 57 5.189 6.624 13.299 387 HA ASN 57 HA ASN 57 6.025 5.842 10.630 388 1HB ASN 57 1HB ASN 57 8.087 4.776 11.773 389 1HD2 ASN 57 1HD2 ASN 57 8.966 7.738 12.819 390 2HD2 ASN 57 2HD2 ASN 57 8.924 7.488 14.532 391 H ILE 58 H ILE 58 4.801 4.347 10.240 392 HA ILE 58 HA ILE 58 5.229 1.875 11.209 393 HB ILE 58 HB ILE 58 4.118 2.296 13.192 394 1HG1 ILE 58 1HG1 ILE 58 2.046 1.044 11.345 395 1HG2 ILE 58 1HG2 ILE 58 2.040 3.452 13.444 396 2HG2 ILE 58 2HG2 ILE 58 3.121 4.442 12.439 397 3HG2 ILE 58 3HG2 ILE 58 1.804 3.510 11.696 398 1HD1 ILE 58 1HD1 ILE 58 1.511 1.424 13.846 399 2HD1 ILE 58 2HD1 ILE 58 1.275 -0.188 13.163 400 3HD1 ILE 58 3HD1 ILE 58 2.715 0.160 14.127 401 H ASP 59 H ASP 59 4.558 0.524 9.660 402 HA ASP 59 HA ASP 59 2.255 1.265 8.114 403 1HB ASP 59 1HB ASP 59 4.145 2.453 7.037 404 H VAL 60 H VAL 60 1.459 -0.596 9.023 405 HA VAL 60 HA VAL 60 2.391 -3.031 7.698 406 HB VAL 60 HB VAL 60 2.166 -4.320 9.741 407 1HG1 VAL 60 1HG1 VAL 60 4.083 -2.204 10.523 408 2HG1 VAL 60 2HG1 VAL 60 4.294 -3.957 10.456 409 3HG1 VAL 60 3HG1 VAL 60 4.313 -3.009 8.969 410 1HG2 VAL 60 1HG2 VAL 60 2.053 -3.269 11.940 411 2HG2 VAL 60 2HG2 VAL 60 1.950 -1.678 11.189 412 3HG2 VAL 60 3HG2 VAL 60 0.633 -2.833 10.990 413 H VAL 61 H VAL 61 0.659 -3.162 6.405 414 HA VAL 61 HA VAL 61 -1.512 -4.655 7.396 415 HB VAL 61 HB VAL 61 -2.298 -1.953 6.216 416 1HG1 VAL 61 1HG1 VAL 61 -4.403 -3.798 7.129 417 2HG1 VAL 61 2HG1 VAL 61 -4.359 -2.720 5.734 418 3HG1 VAL 61 3HG1 VAL 61 -3.543 -4.283 5.667 419 1HG2 VAL 61 1HG2 VAL 61 -3.601 -1.595 8.238 420 2HG2 VAL 61 2HG2 VAL 61 -3.044 -3.139 8.887 421 3HG2 VAL 61 3HG2 VAL 61 -1.896 -1.823 8.631 422 H PHE 62 H PHE 62 -0.819 -6.145 5.851 423 HA PHE 62 HA PHE 62 -1.539 -5.553 3.113 424 1HB PHE 62 1HB PHE 62 1.282 -6.528 3.516 425 HD1 PHE 62 HD1 PHE 62 1.593 -4.825 5.436 426 HD2 PHE 62 HD2 PHE 62 0.980 -3.739 1.374 427 HE1 PHE 62 HE1 PHE 62 2.642 -2.677 5.895 428 HE2 PHE 62 HE2 PHE 62 2.026 -1.551 1.811 429 HZ PHE 62 HZ PHE 62 2.864 -1.014 4.066 430 H GLU 63 H GLU 63 -1.730 -7.395 1.839 431 HA GLU 63 HA GLU 63 -1.493 -10.028 3.066 432 1HB GLU 63 1HB GLU 63 -3.676 -8.912 3.798 433 1HG GLU 63 1HG GLU 63 -4.188 -11.260 1.997 434 H LEU 64 H LEU 64 -2.162 -11.673 1.418 435 HA LEU 64 HA LEU 64 -0.946 -11.211 -1.057 436 1HB LEU 64 1HB LEU 64 -1.602 -13.415 0.094 437 HG LEU 64 HG LEU 64 -0.637 -13.285 -2.266 438 1HD1 LEU 64 1HD1 LEU 64 -1.118 -15.629 -2.706 439 2HD1 LEU 64 2HD1 LEU 64 -0.839 -15.361 -0.985 440 3HD1 LEU 64 3HD1 LEU 64 -2.482 -15.575 -1.589 441 1HD2 LEU 64 1HD2 LEU 64 -2.926 -12.383 -3.134 442 2HD2 LEU 64 2HD2 LEU 64 -1.978 -13.490 -4.126 443 3HD2 LEU 64 3HD2 LEU 64 -3.357 -14.092 -3.204 444 H GLY 65 H GLY 65 -3.896 -10.348 0.272 445 1HA GLY 65 1HA GLY 65 -4.309 -8.475 -1.770 446 2HA GLY 65 2HA GLY 65 -5.653 -9.602 -1.781 447 H VAL 66 H VAL 66 -3.977 -7.160 -0.056 448 HA VAL 66 HA VAL 66 -5.603 -7.300 2.310 449 HB VAL 66 HB VAL 66 -3.050 -6.775 2.083 450 1HG1 VAL 66 1HG1 VAL 66 -2.371 -4.788 1.342 451 2HG1 VAL 66 2HG1 VAL 66 -4.000 -4.556 0.697 452 3HG1 VAL 66 3HG1 VAL 66 -3.577 -3.929 2.296 453 1HG2 VAL 66 1HG2 VAL 66 -4.980 -5.411 3.941 454 2HG2 VAL 66 2HG2 VAL 66 -4.067 -6.900 4.202 455 3HG2 VAL 66 3HG2 VAL 66 -3.232 -5.346 4.169 456 H ASP 67 H ASP 67 -6.181 -4.998 3.251 457 HA ASP 67 HA ASP 67 -6.598 -3.032 1.270 458 1HB ASP 67 1HB ASP 67 -8.866 -2.385 1.653 459 H PHE 68 H PHE 68 -6.340 -1.102 1.909 460 HA PHE 68 HA PHE 68 -5.869 -0.497 4.741 461 1HB PHE 68 1HB PHE 68 -5.064 0.911 2.167 462 HD1 PHE 68 HD1 PHE 68 -3.014 1.191 5.107 463 HD2 PHE 68 HD2 PHE 68 -3.685 -1.099 1.584 464 HE1 PHE 68 HE1 PHE 68 -0.706 0.357 5.218 465 HE2 PHE 68 HE2 PHE 68 -1.381 -1.949 1.698 466 HZ PHE 68 HZ PHE 68 0.113 -1.215 3.512 467 H ALA 69 H ALA 69 -6.667 1.550 5.402 468 HA ALA 69 HA ALA 69 -7.699 3.296 3.641 469 1HB ALA 69 1HB ALA 69 -9.921 1.753 4.973 470 2HB ALA 69 2HB ALA 69 -10.154 3.336 4.222 471 3HB ALA 69 3HB ALA 69 -9.587 1.968 3.237 472 H TYR 70 H TYR 70 -6.588 4.768 4.753 473 HA TYR 70 HA TYR 70 -7.807 6.193 6.836 474 1HB TYR 70 1HB TYR 70 -6.058 6.000 8.471 475 HD1 TYR 70 HD1 TYR 70 -3.806 6.635 7.689 476 HD2 TYR 70 HD2 TYR 70 -5.302 2.670 7.301 477 HE1 TYR 70 HE1 TYR 70 -1.515 5.813 7.348 478 HE2 TYR 70 HE2 TYR 70 -3.015 1.835 6.950 479 HH TYR 70 HH TYR 70 -0.827 2.632 6.257 480 H SER 71 H SER 71 -6.457 8.246 7.191 481 HA SER 71 HA SER 71 -5.422 8.669 4.548 482 1HB SER 71 1HB SER 71 -7.231 10.100 5.121 483 HG SER 71 HG SER 71 -6.274 11.551 4.022 484 H LEU 72 H LEU 72 -3.437 8.497 4.252 485 HA LEU 72 HA LEU 72 -1.387 8.327 6.053 486 1HB LEU 72 1HB LEU 72 -1.244 9.369 3.226 487 HG LEU 72 HG LEU 72 -2.147 7.064 3.349 488 1HD1 LEU 72 1HD1 LEU 72 -0.740 6.166 1.691 489 2HD1 LEU 72 2HD1 LEU 72 -0.611 7.916 1.518 490 3HD1 LEU 72 3HD1 LEU 72 0.674 7.012 2.319 491 1HD2 LEU 72 1HD2 LEU 72 0.304 5.761 4.109 492 2HD2 LEU 72 2HD2 LEU 72 -0.288 6.783 5.418 493 3HD2 LEU 72 3HD2 LEU 72 -1.328 5.534 4.736 494 H ALA 73 H ALA 73 -2.810 11.173 4.632 495 HA ALA 73 HA ALA 73 -0.876 12.997 5.786 496 1HB ALA 73 1HB ALA 73 -2.971 14.543 4.986 497 2HB ALA 73 2HB ALA 73 -1.597 14.097 3.975 498 3HB ALA 73 3HB ALA 73 -3.093 13.167 3.889 499 H ASP 74 H ASP 74 -4.404 13.243 5.961 500 HA ASP 74 HA ASP 74 -4.390 13.088 8.866 501 1HB ASP 74 1HB ASP 74 -5.064 15.614 7.345 502 H GLY 75 H GLY 75 -6.289 12.271 9.603 503 1HA GLY 75 1HA GLY 75 -8.607 11.857 9.618 504 2HA GLY 75 2HA GLY 75 -8.717 12.538 7.996 505 H THR 76 H THR 76 -9.504 10.988 6.679 506 HA THR 76 HA THR 76 -7.954 8.516 6.509 507 HB THR 76 HB THR 76 -10.269 7.323 6.118 508 HG1 THR 76 HG1 THR 76 -11.050 9.278 8.041 509 1HG2 THR 76 1HG2 THR 76 -10.152 6.406 8.261 510 2HG2 THR 76 2HG2 THR 76 -9.623 7.924 8.985 511 3HG2 THR 76 3HG2 THR 76 -8.511 6.991 7.984 512 H GLU 77 H GLU 77 -7.440 8.041 4.570 513 HA GLU 77 HA GLU 77 -9.124 8.194 2.314 514 1HB GLU 77 1HB GLU 77 -8.344 10.025 1.155 515 1HG GLU 77 1HG GLU 77 -6.143 10.357 3.152 516 H LEU 78 H LEU 78 -8.511 6.086 2.093 517 HA LEU 78 HA LEU 78 -6.164 5.667 0.631 518 1HB LEU 78 1HB LEU 78 -5.185 5.919 2.845 519 HG LEU 78 HG LEU 78 -5.032 3.010 2.165 520 1HD1 LEU 78 1HD1 LEU 78 -3.076 3.563 0.838 521 2HD1 LEU 78 2HD1 LEU 78 -4.457 4.480 0.238 522 3HD1 LEU 78 3HD1 LEU 78 -3.245 5.270 1.247 523 1HD2 LEU 78 1HD2 LEU 78 -3.888 4.644 4.227 524 2HD2 LEU 78 2HD2 LEU 78 -3.757 2.903 3.978 525 3HD2 LEU 78 3HD2 LEU 78 -2.620 3.995 3.188 526 H THR 79 H THR 79 -5.663 3.451 0.388 527 HA THR 79 HA THR 79 -8.011 1.748 0.045 528 HB THR 79 HB THR 79 -7.541 1.487 -2.193 529 HG1 THR 79 HG1 THR 79 -5.430 0.448 -1.265 530 1HG2 THR 79 1HG2 THR 79 -7.172 3.975 -1.643 531 2HG2 THR 79 2HG2 THR 79 -6.700 3.384 -3.240 532 3HG2 THR 79 3HG2 THR 79 -5.474 3.656 -1.993 533 H GLY 80 H GLY 80 -7.353 -0.379 -0.374 534 1HA GLY 80 1HA GLY 80 -4.668 -0.799 -0.376 535 2HA GLY 80 2HA GLY 80 -5.323 -1.458 1.085 536 H THR 81 H THR 81 -4.096 -2.406 -1.327 537 HA THR 81 HA THR 81 -4.953 -4.918 -1.039 538 HB THR 81 HB THR 81 -5.391 -4.435 -3.942 539 HG1 THR 81 HG1 THR 81 -7.407 -3.782 -3.701 540 1HG2 THR 81 1HG2 THR 81 -6.036 -6.501 -1.881 541 2HG2 THR 81 2HG2 THR 81 -5.256 -6.679 -3.455 542 3HG2 THR 81 3HG2 THR 81 -6.999 -6.427 -3.356 543 H TRP 82 H TRP 82 -3.443 -6.246 -2.025 544 HA TRP 82 HA TRP 82 -1.791 -5.081 -4.035 545 1HB TRP 82 1HB TRP 82 -0.524 -6.196 -1.472 546 HD1 TRP 82 HD1 TRP 82 -1.989 -4.177 -0.221 547 HE1 TRP 82 HE1 TRP 82 -1.432 -1.709 0.037 548 HE3 TRP 82 HE3 TRP 82 1.646 -3.894 -3.715 549 HZ2 TRP 82 HZ2 TRP 82 0.453 0.180 -1.091 550 HZ3 TRP 82 HZ3 TRP 82 2.847 -1.803 -4.055 551 HH2 TRP 82 HH2 TRP 82 2.228 0.211 -2.833 552 H THR 83 H THR 83 -2.188 -6.763 -5.511 553 HA THR 83 HA THR 83 -1.915 -9.543 -4.549 554 HB THR 83 HB THR 83 -3.427 -9.964 -6.602 555 HG1 THR 83 HG1 THR 83 -3.100 -7.451 -7.035 556 1HG2 THR 83 1HG2 THR 83 -4.900 -10.376 -4.976 557 2HG2 THR 83 2HG2 THR 83 -5.297 -8.658 -4.922 558 3HG2 THR 83 3HG2 THR 83 -4.019 -9.300 -3.889 559 H MET 84 H MET 84 0.363 -9.591 -5.229 560 HA MET 84 HA MET 84 0.718 -9.307 -8.095 561 1HB MET 84 1HB MET 84 3.138 -9.409 -7.462 562 1HG MET 84 1HG MET 84 3.730 -8.568 -5.305 563 1HE MET 84 1HE MET 84 1.697 -10.660 -2.991 564 2HE MET 84 2HE MET 84 0.847 -10.945 -4.514 565 3HE MET 84 3HE MET 84 1.679 -12.274 -3.701 566 H GLU 85 H GLU 85 2.515 -10.302 -9.000 567 HA GLU 85 HA GLU 85 3.869 -12.269 -7.828 568 1HB GLU 85 1HB GLU 85 1.600 -13.506 -8.663 569 1HG GLU 85 1HG GLU 85 4.321 -14.798 -8.779 570 H GLY 86 H GLY 86 5.333 -10.840 -8.826 571 1HA GLY 86 1HA GLY 86 6.764 -12.189 -10.610 572 2HA GLY 86 2HA GLY 86 5.939 -11.022 -11.649 573 H ASN 87 H ASN 87 8.208 -11.418 -9.023 574 HA ASN 87 HA ASN 87 9.572 -9.891 -7.966 575 1HB ASN 87 1HB ASN 87 10.531 -10.277 -10.306 576 1HD2 ASN 87 1HD2 ASN 87 12.483 -10.319 -9.433 577 2HD2 ASN 87 2HD2 ASN 87 13.365 -8.924 -8.911 578 H LYS 88 H LYS 88 6.661 -9.095 -8.013 579 HA LYS 88 HA LYS 88 7.003 -6.223 -7.628 580 1HB LYS 88 1HB LYS 88 5.933 -5.477 -9.470 581 1HG LYS 88 1HG LYS 88 3.698 -6.523 -8.657 582 1HD LYS 88 1HD LYS 88 4.520 -8.909 -9.290 583 1HE LYS 88 1HE LYS 88 3.752 -7.726 -11.950 584 1HZ LYS 88 1HZ LYS 88 2.433 -9.694 -11.836 585 2HZ LYS 88 2HZ LYS 88 3.699 -10.609 -11.184 586 3HZ LYS 88 3HZ LYS 88 3.789 -10.058 -12.782 587 H LEU 89 H LEU 89 5.271 -5.292 -6.509 588 HA LEU 89 HA LEU 89 3.261 -7.101 -5.482 589 1HB LEU 89 1HB LEU 89 4.543 -4.647 -4.679 590 HG LEU 89 HG LEU 89 4.596 -6.373 -3.178 591 1HD1 LEU 89 1HD1 LEU 89 4.188 -4.296 -2.014 592 2HD1 LEU 89 2HD1 LEU 89 2.441 -4.486 -2.208 593 3HD1 LEU 89 3HD1 LEU 89 3.339 -5.602 -1.179 594 1HD2 LEU 89 1HD2 LEU 89 2.981 -7.882 -2.788 595 2HD2 LEU 89 2HD2 LEU 89 1.686 -6.691 -2.790 596 3HD2 LEU 89 3HD2 LEU 89 2.334 -7.292 -4.324 597 H VAL 90 H VAL 90 1.028 -6.989 -6.311 598 HA VAL 90 HA VAL 90 0.417 -4.388 -7.478 599 HB VAL 90 HB VAL 90 -0.572 -5.475 -9.547 600 1HG1 VAL 90 1HG1 VAL 90 1.442 -4.022 -9.425 601 2HG1 VAL 90 2HG1 VAL 90 2.367 -5.521 -9.416 602 3HG1 VAL 90 3HG1 VAL 90 1.371 -5.122 -10.809 603 1HG2 VAL 90 1HG2 VAL 90 1.502 -7.575 -9.121 604 2HG2 VAL 90 2HG2 VAL 90 -0.175 -7.820 -8.631 605 3HG2 VAL 90 3HG2 VAL 90 0.216 -7.530 -10.327 606 H GLY 91 H GLY 91 -1.212 -3.990 -6.240 607 1HA GLY 91 1HA GLY 91 -3.687 -5.361 -6.669 608 2HA GLY 91 2HA GLY 91 -3.047 -5.610 -5.043 609 H LYS 92 H LYS 92 -5.446 -4.228 -5.427 610 HA LYS 92 HA LYS 92 -4.628 -1.577 -4.682 611 1HB LYS 92 1HB LYS 92 -4.220 -1.323 -6.872 612 1HG LYS 92 1HG LYS 92 -7.173 -0.791 -6.646 613 1HD LYS 92 1HD LYS 92 -7.000 -1.074 -8.946 614 1HE LYS 92 1HE LYS 92 -4.604 0.538 -9.353 615 1HZ LYS 92 1HZ LYS 92 -6.122 -1.071 -10.893 616 2HZ LYS 92 2HZ LYS 92 -4.795 -2.077 -10.546 617 3HZ LYS 92 3HZ LYS 92 -4.550 -0.561 -11.275 618 H PHE 93 H PHE 93 -6.157 -0.201 -4.055 619 HA PHE 93 HA PHE 93 -8.927 -0.960 -4.104 620 1HB PHE 93 1HB PHE 93 -7.408 -1.047 -1.671 621 HD1 PHE 93 HD1 PHE 93 -8.820 -2.965 -3.313 622 HD2 PHE 93 HD2 PHE 93 -10.292 -0.421 -0.257 623 HE1 PHE 93 HE1 PHE 93 -10.652 -4.569 -2.865 624 HE2 PHE 93 HE2 PHE 93 -12.114 -2.009 0.216 625 HZ PHE 93 HZ PHE 93 -12.302 -4.088 -1.095 626 H LYS 94 H LYS 94 -10.147 0.863 -3.160 627 HA LYS 94 HA LYS 94 -9.069 3.205 -4.374 628 1HB LYS 94 1HB LYS 94 -11.182 3.845 -4.787 629 1HG LYS 94 1HG LYS 94 -11.754 3.813 -2.346 630 1HD LYS 94 1HD LYS 94 -13.176 1.231 -2.923 631 1HE LYS 94 1HE LYS 94 -13.692 2.773 -0.946 632 1HZ LYS 94 1HZ LYS 94 -11.695 1.527 0.672 633 2HZ LYS 94 2HZ LYS 94 -12.152 3.157 0.594 634 3HZ LYS 94 3HZ LYS 94 -10.991 2.544 -0.483 635 H ARG 95 H ARG 95 -9.092 5.148 -3.255 636 HA ARG 95 HA ARG 95 -8.249 4.999 -0.627 637 1HB ARG 95 1HB ARG 95 -8.110 7.327 -0.598 638 1HG ARG 95 1HG ARG 95 -10.023 7.768 -2.843 639 1HD ARG 95 1HD ARG 95 -10.164 9.952 -1.860 640 HE ARG 95 HE ARG 95 -8.245 10.231 -3.091 641 1HH1 ARG 95 1HH1 ARG 95 -7.393 8.653 -0.065 642 2HH1 ARG 95 2HH1 ARG 95 -5.702 8.984 -0.241 643 1HH2 ARG 95 1HH2 ARG 95 -6.051 10.636 -3.315 644 2HH2 ARG 95 2HH2 ARG 95 -4.938 10.119 -2.085 645 H VAL 96 H VAL 96 -9.161 6.836 0.892 646 HA VAL 96 HA VAL 96 -11.899 5.992 1.653 647 HB VAL 96 HB VAL 96 -9.983 7.704 3.272 648 1HG1 VAL 96 1HG1 VAL 96 -12.398 7.971 3.788 649 2HG1 VAL 96 2HG1 VAL 96 -12.508 6.239 4.109 650 3HG1 VAL 96 3HG1 VAL 96 -11.490 7.262 5.124 651 1HG2 VAL 96 1HG2 VAL 96 -8.884 5.715 3.424 652 2HG2 VAL 96 2HG2 VAL 96 -10.112 5.413 4.656 653 3HG2 VAL 96 3HG2 VAL 96 -10.315 4.757 3.032 654 H ASP 97 H ASP 97 -10.009 8.918 0.958 655 HA ASP 97 HA ASP 97 -11.834 10.771 1.886 656 1HB ASP 97 1HB ASP 97 -9.883 11.815 1.300 657 H ASN 98 H ASN 98 -11.830 9.034 -1.125 658 HA ASN 98 HA ASN 98 -14.670 9.374 -1.121 659 1HB ASN 98 1HB ASN 98 -13.902 11.238 -2.659 660 1HD2 ASN 98 1HD2 ASN 98 -15.715 12.008 -3.460 661 2HD2 ASN 98 2HD2 ASN 98 -16.954 11.089 -4.247 662 H GLY 99 H GLY 99 -12.712 8.405 -3.827 663 1HA GLY 99 1HA GLY 99 -12.148 5.836 -2.924 664 2HA GLY 99 2HA GLY 99 -13.538 5.735 -4.011 665 H LYS 100 H LYS 100 -10.193 5.992 -3.708 666 HA LYS 100 HA LYS 100 -10.032 6.213 -6.635 667 1HB LYS 100 1HB LYS 100 -7.596 6.962 -5.175 668 1HG LYS 100 1HG LYS 100 -9.018 8.298 -3.815 669 1HD LYS 100 1HD LYS 100 -10.135 9.601 -6.264 670 1HE LYS 100 1HE LYS 100 -11.719 10.082 -4.080 671 1HZ LYS 100 1HZ LYS 100 -9.892 12.171 -4.153 672 2HZ LYS 100 2HZ LYS 100 -11.401 12.097 -4.920 673 3HZ LYS 100 3HZ LYS 100 -10.007 11.593 -5.747 674 H GLU 101 H GLU 101 -9.852 4.155 -7.144 675 HA GLU 101 HA GLU 101 -7.917 2.502 -5.719 676 1HB GLU 101 1HB GLU 101 -9.211 0.676 -6.093 677 1HG GLU 101 1HG GLU 101 -10.214 1.889 -8.634 678 H LEU 102 H LEU 102 -6.067 2.607 -6.524 679 HA LEU 102 HA LEU 102 -5.269 1.606 -8.980 680 1HB LEU 102 1HB LEU 102 -5.306 4.604 -8.788 681 HG LEU 102 HG LEU 102 -7.022 3.939 -10.228 682 1HD1 LEU 102 1HD1 LEU 102 -5.239 5.537 -11.164 683 2HD1 LEU 102 2HD1 LEU 102 -4.788 4.186 -12.202 684 3HD1 LEU 102 3HD1 LEU 102 -6.419 4.848 -12.278 685 1HD2 LEU 102 1HD2 LEU 102 -6.862 2.196 -11.892 686 2HD2 LEU 102 2HD2 LEU 102 -5.143 1.982 -11.562 687 3HD2 LEU 102 3HD2 LEU 102 -6.338 1.535 -10.337 688 H ILE 103 H ILE 103 -3.577 0.638 -8.336 689 HA ILE 103 HA ILE 103 -1.386 1.854 -7.110 690 HB ILE 103 HB ILE 103 -3.406 0.585 -5.285 691 1HG1 ILE 103 1HG1 ILE 103 -1.054 2.371 -4.587 692 1HG2 ILE 103 1HG2 ILE 103 -1.843 -1.165 -5.072 693 2HG2 ILE 103 2HG2 ILE 103 -0.462 -0.064 -5.088 694 3HG2 ILE 103 3HG2 ILE 103 -1.542 -0.104 -3.693 695 1HD1 ILE 103 1HD1 ILE 103 -2.515 1.388 -2.777 696 2HD1 ILE 103 2HD1 ILE 103 -2.322 3.142 -2.790 697 3HD1 ILE 103 3HD1 ILE 103 -3.804 2.411 -3.411 698 H ALA 104 H ALA 104 0.386 0.553 -7.836 699 HA ALA 104 HA ALA 104 0.367 -2.225 -7.447 700 1HB ALA 104 1HB ALA 104 0.402 -2.852 -9.948 701 2HB ALA 104 2HB ALA 104 -1.116 -2.628 -9.076 702 3HB ALA 104 3HB ALA 104 -0.520 -1.354 -10.138 703 H VAL 105 H VAL 105 2.423 -2.241 -6.787 704 HA VAL 105 HA VAL 105 4.199 -2.932 -8.677 705 HB VAL 105 HB VAL 105 4.368 -0.060 -8.397 706 1HG1 VAL 105 1HG1 VAL 105 6.272 -1.275 -6.784 707 2HG1 VAL 105 2HG1 VAL 105 7.138 -0.930 -8.279 708 3HG1 VAL 105 3HG1 VAL 105 6.343 0.386 -7.398 709 1HG2 VAL 105 1HG2 VAL 105 6.019 -1.997 -10.028 710 2HG2 VAL 105 2HG2 VAL 105 4.436 -1.373 -10.491 711 3HG2 VAL 105 3HG2 VAL 105 5.806 -0.275 -10.341 712 H ARG 106 H ARG 106 6.169 -3.800 -7.737 713 HA ARG 106 HA ARG 106 6.289 -3.158 -4.986 714 1HB ARG 106 1HB ARG 106 5.936 -5.740 -5.258 715 1HG ARG 106 1HG ARG 106 6.962 -6.012 -3.142 716 1HD ARG 106 1HD ARG 106 5.861 -3.339 -3.709 717 HE ARG 106 HE ARG 106 6.883 -2.574 -1.802 718 1HH1 ARG 106 1HH1 ARG 106 5.481 -5.675 -1.353 719 2HH1 ARG 106 2HH1 ARG 106 5.974 -5.857 0.354 720 1HH2 ARG 106 1HH2 ARG 106 7.480 -2.609 0.413 721 2HH2 ARG 106 2HH2 ARG 106 7.146 -4.073 1.380 722 H GLU 107 H GLU 107 8.180 -3.399 -4.110 723 HA GLU 107 HA GLU 107 10.086 -1.884 -5.625 724 1HB GLU 107 1HB GLU 107 10.635 -2.336 -2.820 725 1HG GLU 107 1HG GLU 107 7.971 -1.162 -3.426 726 H ILE 108 H ILE 108 11.361 -3.286 -6.698 727 HA ILE 108 HA ILE 108 13.296 -4.713 -5.235 728 HB ILE 108 HB ILE 108 11.274 -6.280 -6.914 729 1HG1 ILE 108 1HG1 ILE 108 11.965 -6.564 -3.985 730 1HG2 ILE 108 1HG2 ILE 108 12.661 -8.160 -6.866 731 2HG2 ILE 108 2HG2 ILE 108 13.742 -6.813 -7.217 732 3HG2 ILE 108 3HG2 ILE 108 13.679 -7.489 -5.592 733 1HD1 ILE 108 1HD1 ILE 108 11.371 -8.703 -4.075 734 2HD1 ILE 108 2HD1 ILE 108 9.769 -8.177 -4.596 735 3HD1 ILE 108 3HD1 ILE 108 10.999 -8.582 -5.794 736 H SER 109 H SER 109 15.133 -4.393 -6.562 737 HA SER 109 HA SER 109 15.097 -5.077 -9.333 738 1HB SER 109 1HB SER 109 15.316 -2.114 -8.699 739 HG SER 109 HG SER 109 13.249 -3.564 -9.455 740 H GLY 110 H GLY 110 16.950 -6.269 -9.049 741 1HA GLY 110 1HA GLY 110 19.166 -6.747 -8.539 742 2HA GLY 110 2HA GLY 110 19.504 -5.011 -8.638 743 H ASN 111 H ASN 111 19.394 -3.772 -6.899 744 HA ASN 111 HA ASN 111 17.722 -4.549 -4.821 745 1HB ASN 111 1HB ASN 111 19.740 -5.614 -3.870 746 1HD2 ASN 111 1HD2 ASN 111 20.861 -3.241 -2.063 747 2HD2 ASN 111 2HD2 ASN 111 19.663 -3.166 -0.818 748 H GLU 112 H GLU 112 16.630 -2.932 -5.398 749 HA GLU 112 HA GLU 112 16.955 -0.466 -4.155 750 1HB GLU 112 1HB GLU 112 16.991 1.058 -6.027 751 1HG GLU 112 1HG GLU 112 17.104 -1.371 -7.791 752 H LEU 113 H LEU 113 14.848 0.263 -3.844 753 HA LEU 113 HA LEU 113 12.948 -1.701 -4.900 754 1HB LEU 113 1HB LEU 113 13.202 -0.140 -2.345 755 HG LEU 113 HG LEU 113 13.923 -2.094 -1.675 756 1HD1 LEU 113 1HD1 LEU 113 11.747 -2.282 -0.732 757 2HD1 LEU 113 2HD1 LEU 113 11.212 -3.157 -2.167 758 3HD1 LEU 113 3HD1 LEU 113 12.425 -3.868 -1.102 759 1HD2 LEU 113 1HD2 LEU 113 14.774 -2.993 -3.517 760 2HD2 LEU 113 2HD2 LEU 113 13.627 -4.248 -3.037 761 3HD2 LEU 113 3HD2 LEU 113 13.201 -3.101 -4.309 762 H ILE 114 H ILE 114 10.555 -0.827 -4.981 763 HA ILE 114 HA ILE 114 10.349 1.907 -5.943 764 HB ILE 114 HB ILE 114 9.402 -0.342 -7.719 765 1HG1 ILE 114 1HG1 ILE 114 11.914 -0.359 -7.582 766 1HG2 ILE 114 1HG2 ILE 114 9.931 2.140 -9.046 767 2HG2 ILE 114 2HG2 ILE 114 8.419 1.246 -8.895 768 3HG2 ILE 114 3HG2 ILE 114 8.887 2.406 -7.651 769 1HD1 ILE 114 1HD1 ILE 114 13.164 1.456 -8.658 770 2HD1 ILE 114 2HD1 ILE 114 11.689 2.422 -8.709 771 3HD1 ILE 114 3HD1 ILE 114 12.388 1.962 -7.147 772 H GLN 115 H GLN 115 8.210 2.602 -5.811 773 HA GLN 115 HA GLN 115 6.194 0.628 -5.169 774 1HB GLN 115 1HB GLN 115 6.699 3.129 -3.541 775 1HG GLN 115 1HG GLN 115 6.590 0.207 -2.694 776 1HE2 GLN 115 1HE2 GLN 115 8.537 2.375 -1.024 777 2HE2 GLN 115 2HE2 GLN 115 7.530 2.632 0.356 778 H THR 116 H THR 116 4.938 0.921 -6.891 779 HA THR 116 HA THR 116 4.565 3.638 -7.788 780 HB THR 116 HB THR 116 3.713 1.122 -9.219 781 HG1 THR 116 HG1 THR 116 6.123 2.085 -8.838 782 1HG2 THR 116 1HG2 THR 116 3.059 2.431 -10.945 783 2HG2 THR 116 2HG2 THR 116 4.236 3.688 -10.549 784 3HG2 THR 116 3HG2 THR 116 2.740 3.553 -9.619 785 H TYR 117 H TYR 117 2.871 4.556 -6.686 786 HA TYR 117 HA TYR 117 0.457 2.944 -6.541 787 1HB TYR 117 1HB TYR 117 -0.168 4.310 -4.469 788 HD1 TYR 117 HD1 TYR 117 0.321 6.151 -3.264 789 HD2 TYR 117 HD2 TYR 117 3.515 3.497 -4.246 790 HE1 TYR 117 HE1 TYR 117 1.823 7.418 -1.795 791 HE2 TYR 117 HE2 TYR 117 5.042 4.794 -2.778 792 HH TYR 117 HH TYR 117 4.610 7.707 -1.805 793 H THR 118 H THR 118 -1.450 3.932 -6.646 794 HA THR 118 HA THR 118 -1.429 6.348 -8.342 795 HB THR 118 HB THR 118 -2.913 3.722 -8.923 796 HG1 THR 118 HG1 THR 118 -0.934 3.321 -10.248 797 1HG2 THR 118 1HG2 THR 118 -3.515 5.569 -10.383 798 2HG2 THR 118 2HG2 THR 118 -2.367 4.591 -11.297 799 3HG2 THR 118 3HG2 THR 118 -1.833 6.108 -10.547 800 H TYR 119 H TYR 119 -3.897 7.038 -8.803 801 HA TYR 119 HA TYR 119 -5.923 6.085 -7.136 802 1HB TYR 119 1HB TYR 119 -6.210 7.889 -5.510 803 HD1 TYR 119 HD1 TYR 119 -2.565 8.038 -5.469 804 HD2 TYR 119 HD2 TYR 119 -6.142 10.203 -6.263 805 HE1 TYR 119 HE1 TYR 119 -1.294 10.149 -5.451 806 HE2 TYR 119 HE2 TYR 119 -4.886 12.317 -6.246 807 HH TYR 119 HH TYR 119 -1.370 12.375 -5.678 808 H GLU 120 H GLU 120 -7.563 6.476 -8.345 809 HA GLU 120 HA GLU 120 -8.983 7.475 -9.837 810 1HB GLU 120 1HB GLU 120 -7.343 10.004 -9.695 811 1HG GLU 120 1HG GLU 120 -9.724 9.558 -7.947 812 H GLY 121 H GLY 121 -5.805 8.897 -10.260 813 1HA GLY 121 1HA GLY 121 -4.814 6.945 -11.737 814 2HA GLY 121 2HA GLY 121 -5.374 8.075 -12.986 815 H VAL 122 H VAL 122 -2.988 7.322 -10.659 816 HA VAL 122 HA VAL 122 -1.193 9.105 -11.835 817 HB VAL 122 HB VAL 122 -2.089 10.894 -10.567 818 1HG1 VAL 122 1HG1 VAL 122 -3.131 10.718 -8.608 819 2HG1 VAL 122 2HG1 VAL 122 -3.098 8.987 -8.943 820 3HG1 VAL 122 3HG1 VAL 122 -1.864 9.710 -7.911 821 1HG2 VAL 122 1HG2 VAL 122 -0.302 11.149 -8.641 822 2HG2 VAL 122 2HG2 VAL 122 0.420 9.750 -9.442 823 3HG2 VAL 122 3HG2 VAL 122 0.166 11.245 -10.345 824 H GLU 123 H GLU 123 0.288 7.588 -12.021 825 HA GLU 123 HA GLU 123 0.968 6.211 -9.543 826 1HB GLU 123 1HB GLU 123 1.884 4.442 -10.678 827 1HG GLU 123 1HG GLU 123 3.247 5.893 -12.265 828 H ALA 124 H ALA 124 3.043 6.156 -8.884 829 HA ALA 124 HA ALA 124 5.104 7.771 -10.061 830 1HB ALA 124 1HB ALA 124 4.706 8.971 -7.531 831 2HB ALA 124 2HB ALA 124 4.560 9.726 -9.118 832 3HB ALA 124 3HB ALA 124 3.144 8.995 -8.355 833 H LYS 125 H LYS 125 7.056 7.531 -8.832 834 HA LYS 125 HA LYS 125 7.064 5.924 -6.431 835 1HB LYS 125 1HB LYS 125 8.674 4.433 -8.281 836 1HG LYS 125 1HG LYS 125 6.937 3.317 -9.571 837 1HD LYS 125 1HD LYS 125 7.125 6.255 -10.104 838 1HE LYS 125 1HE LYS 125 5.020 5.418 -10.965 839 1HZ LYS 125 1HZ LYS 125 5.357 3.086 -11.161 840 2HZ LYS 125 2HZ LYS 125 6.693 3.290 -12.201 841 3HZ LYS 125 3HZ LYS 125 5.133 3.669 -12.748 842 H ARG 126 H ARG 126 9.163 5.619 -5.490 843 HA ARG 126 HA ARG 126 11.528 6.657 -6.638 844 1HB ARG 126 1HB ARG 126 11.699 8.761 -5.873 845 1HG ARG 126 1HG ARG 126 11.135 7.648 -3.313 846 1HD ARG 126 1HD ARG 126 10.296 10.477 -3.431 847 HE ARG 126 HE ARG 126 9.675 8.308 -1.574 848 1HH1 ARG 126 1HH1 ARG 126 11.095 11.441 -2.197 849 2HH1 ARG 126 2HH1 ARG 126 11.409 11.769 -0.519 850 1HH2 ARG 126 1HH2 ARG 126 10.046 8.724 0.634 851 2HH2 ARG 126 2HH2 ARG 126 10.798 10.260 1.104 852 H ILE 127 H ILE 127 12.954 5.252 -5.687 853 HA ILE 127 HA ILE 127 12.969 5.024 -2.889 854 HB ILE 127 HB ILE 127 12.516 2.287 -3.989 855 1HG1 ILE 127 1HG1 ILE 127 10.277 4.241 -3.276 856 1HG2 ILE 127 1HG2 ILE 127 12.554 1.730 -1.830 857 2HG2 ILE 127 2HG2 ILE 127 13.168 3.373 -1.564 858 3HG2 ILE 127 3HG2 ILE 127 11.444 3.040 -1.388 859 1HD1 ILE 127 1HD1 ILE 127 8.774 2.370 -3.132 860 2HD1 ILE 127 2HD1 ILE 127 10.107 1.239 -3.363 861 3HD1 ILE 127 3HD1 ILE 127 10.033 2.230 -1.906 862 H PHE 128 H PHE 128 14.813 4.418 -2.211 863 HA PHE 128 HA PHE 128 16.287 2.525 -3.773 864 1HB PHE 128 1HB PHE 128 17.492 5.075 -2.686 865 HD1 PHE 128 HD1 PHE 128 16.894 6.496 -4.459 866 HD2 PHE 128 HD2 PHE 128 18.384 2.591 -5.240 867 HE1 PHE 128 HE1 PHE 128 16.885 7.000 -6.868 868 HE2 PHE 128 HE2 PHE 128 18.420 3.089 -7.661 869 HZ PHE 128 HZ PHE 128 17.671 5.296 -8.476 870 H LYS 129 H LYS 129 17.338 1.074 -2.505 871 HA LYS 129 HA LYS 129 16.391 1.123 0.284 872 1HB LYS 129 1HB LYS 129 15.341 -0.475 -1.971 873 1HG LYS 129 1HG LYS 129 14.331 1.457 -0.093 874 1HD LYS 129 1HD LYS 129 12.856 -1.106 -0.407 875 1HE LYS 129 1HE LYS 129 11.326 0.696 -0.667 876 1HZ LYS 129 1HZ LYS 129 12.792 2.303 0.671 877 2HZ LYS 129 2HZ LYS 129 11.999 1.680 2.031 878 3HZ LYS 129 3HZ LYS 129 11.110 2.444 0.808 879 H LYS 130 H LYS 130 17.040 -0.201 1.622 880 HA LYS 130 HA LYS 130 18.052 -1.775 2.758 881 1HB LYS 130 1HB LYS 130 17.057 -3.143 0.858 882 1HG LYS 130 1HG LYS 130 19.306 -4.050 2.601 883 1HD LYS 130 1HD LYS 130 18.997 -5.486 0.480 884 1HE LYS 130 1HE LYS 130 16.335 -5.392 1.455 885 1HZ LYS 130 1HZ LYS 130 17.552 -8.106 1.488 886 2HZ LYS 130 2HZ LYS 130 15.888 -7.800 1.470 887 3HZ LYS 130 3HZ LYS 130 16.824 -7.308 2.797 888 H GLU 131 H GLU 131 19.768 -1.510 3.753 889 HA GLU 131 HA GLU 131 22.384 -1.814 2.782 890 1HB GLU 131 1HB GLU 131 21.860 0.364 1.673 891 1HG GLU 131 1HG GLU 131 23.862 0.656 3.896 Start of MODEL 5 1 1H ALA 1 1H ALA 1 14.646 -13.481 0.758 2 2H ALA 1 2H ALA 1 14.142 -14.390 2.097 3 3H ALA 1 3H ALA 1 14.404 -12.721 2.254 4 HA ALA 1 HA ALA 1 12.591 -12.271 0.732 5 1HB ALA 1 1HB ALA 1 12.401 -15.269 0.726 6 2HB ALA 1 2HB ALA 1 11.049 -14.235 0.267 7 3HB ALA 1 3HB ALA 1 12.554 -14.176 -0.648 8 H PHE 2 H PHE 2 10.916 -11.457 1.822 9 HA PHE 2 HA PHE 2 9.378 -11.056 3.431 10 1HB PHE 2 1HB PHE 2 9.741 -14.000 4.012 11 HD1 PHE 2 HD1 PHE 2 6.454 -13.484 4.241 12 HD2 PHE 2 HD2 PHE 2 9.482 -13.349 1.252 13 HE1 PHE 2 HE1 PHE 2 4.762 -13.920 2.510 14 HE2 PHE 2 HE2 PHE 2 7.795 -13.780 -0.482 15 HZ PHE 2 HZ PHE 2 5.429 -14.071 0.146 16 H ASP 3 H ASP 3 12.086 -10.507 3.809 17 HA ASP 3 HA ASP 3 12.078 -9.890 6.582 18 1HB ASP 3 1HB ASP 3 12.960 -12.385 6.248 19 H GLY 4 H GLY 4 12.278 -8.575 4.075 20 1HA GLY 4 1HA GLY 4 15.040 -7.561 4.155 21 2HA GLY 4 2HA GLY 4 13.915 -7.313 2.823 22 H THR 5 H THR 5 15.261 -5.170 4.059 23 HA THR 5 HA THR 5 12.949 -3.683 4.598 24 HB THR 5 HB THR 5 13.527 -4.246 6.926 25 HG1 THR 5 HG1 THR 5 13.080 -1.953 5.900 26 1HG2 THR 5 1HG2 THR 5 15.663 -4.466 7.558 27 2HG2 THR 5 2HG2 THR 5 15.873 -2.728 7.346 28 3HG2 THR 5 3HG2 THR 5 16.216 -3.828 6.010 29 H TRP 6 H TRP 6 13.261 -1.641 3.776 30 HA TRP 6 HA TRP 6 15.811 -1.035 2.587 31 1HB TRP 6 1HB TRP 6 14.222 -1.335 0.361 32 HD1 TRP 6 HD1 TRP 6 14.741 -4.886 0.934 33 HE1 TRP 6 HE1 TRP 6 12.519 -6.143 1.090 34 HE3 TRP 6 HE3 TRP 6 11.605 -0.948 1.838 35 HZ2 TRP 6 HZ2 TRP 6 9.818 -5.563 1.510 36 HZ3 TRP 6 HZ3 TRP 6 9.206 -1.406 2.084 37 HH2 TRP 6 HH2 TRP 6 8.335 -3.668 1.938 38 H LYS 7 H LYS 7 15.557 1.367 2.336 39 HA LYS 7 HA LYS 7 12.840 2.222 2.849 40 1HB LYS 7 1HB LYS 7 13.864 2.928 5.214 41 1HG LYS 7 1HG LYS 7 14.863 0.838 6.185 42 1HD LYS 7 1HD LYS 7 17.191 1.217 5.037 43 1HE LYS 7 1HE LYS 7 17.459 3.354 6.281 44 1HZ LYS 7 1HZ LYS 7 16.651 2.405 8.471 45 2HZ LYS 7 2HZ LYS 7 17.738 1.448 7.586 46 3HZ LYS 7 3HZ LYS 7 16.086 1.076 7.583 47 H VAL 8 H VAL 8 12.685 4.116 2.027 48 HA VAL 8 HA VAL 8 14.373 6.273 2.721 49 HB VAL 8 HB VAL 8 15.045 6.561 0.183 50 1HG1 VAL 8 1HG1 VAL 8 16.720 6.229 1.963 51 2HG1 VAL 8 2HG1 VAL 8 16.446 4.462 1.861 52 3HG1 VAL 8 3HG1 VAL 8 17.109 5.362 0.473 53 1HG2 VAL 8 1HG2 VAL 8 14.897 3.559 0.380 54 2HG2 VAL 8 2HG2 VAL 8 13.682 4.557 -0.445 55 3HG2 VAL 8 3HG2 VAL 8 15.350 4.540 -1.028 56 H ASP 9 H ASP 9 12.501 4.914 0.225 57 HA ASP 9 HA ASP 9 11.495 6.827 -1.171 58 1HB ASP 9 1HB ASP 9 9.638 5.518 -1.667 59 H ARG 10 H ARG 10 9.886 7.992 -1.421 60 HA ARG 10 HA ARG 10 7.646 8.220 0.215 61 1HB ARG 10 1HB ARG 10 7.990 10.617 0.985 62 1HG ARG 10 1HG ARG 10 10.890 9.942 0.825 63 1HD ARG 10 1HD ARG 10 9.644 12.636 0.748 64 HE ARG 10 HE ARG 10 11.960 12.193 2.392 65 1HH1 ARG 10 1HH1 ARG 10 10.927 12.757 -0.926 66 2HH1 ARG 10 2HH1 ARG 10 12.479 13.360 -1.418 67 1HH2 ARG 10 1HH2 ARG 10 13.981 12.975 1.722 68 2HH2 ARG 10 2HH2 ARG 10 14.197 13.497 0.072 69 H ASN 11 H ASN 11 6.414 8.396 -1.496 70 HA ASN 11 HA ASN 11 7.531 9.039 -3.994 71 1HB ASN 11 1HB ASN 11 5.578 8.190 -4.963 72 1HD2 ASN 11 1HD2 ASN 11 4.104 9.925 -5.285 73 2HD2 ASN 11 2HD2 ASN 11 2.730 10.186 -4.270 74 H GLU 12 H GLU 12 6.718 10.758 -5.466 75 HA GLU 12 HA GLU 12 6.088 12.927 -3.723 76 1HB GLU 12 1HB GLU 12 6.710 12.964 -6.646 77 1HG GLU 12 1HG GLU 12 8.599 14.395 -5.952 78 H ASN 13 H ASN 13 4.426 12.905 -3.176 79 HA ASN 13 HA ASN 13 2.050 12.979 -4.779 80 1HB ASN 13 1HB ASN 13 2.610 13.568 -1.864 81 1HD2 ASN 13 1HD2 ASN 13 0.180 11.940 -3.575 82 2HD2 ASN 13 2HD2 ASN 13 0.189 10.461 -2.667 83 H TYR 14 H TYR 14 4.678 14.391 -3.354 84 HA TYR 14 HA TYR 14 3.915 17.089 -3.551 85 1HB TYR 14 1HB TYR 14 5.735 16.694 -2.105 86 HD1 TYR 14 HD1 TYR 14 8.491 15.899 -3.957 87 HD2 TYR 14 HD2 TYR 14 5.782 19.126 -3.397 88 HE1 TYR 14 HE1 TYR 14 10.184 17.466 -4.809 89 HE2 TYR 14 HE2 TYR 14 7.447 20.695 -4.265 90 HH TYR 14 HH TYR 14 10.354 19.637 -5.792 91 H GLU 15 H GLU 15 4.308 14.620 -5.788 92 HA GLU 15 HA GLU 15 4.786 16.677 -7.856 93 1HB GLU 15 1HB GLU 15 5.752 15.119 -9.346 94 1HG GLU 15 1HG GLU 15 5.494 12.761 -7.530 95 H LYS 16 H LYS 16 3.022 13.889 -6.891 96 HA LYS 16 HA LYS 16 1.273 13.756 -9.067 97 1HB LYS 16 1HB LYS 16 0.087 13.386 -6.370 98 1HG LYS 16 1HG LYS 16 2.313 11.652 -7.271 99 1HD LYS 16 1HD LYS 16 1.756 10.747 -4.925 100 1HE LYS 16 1HE LYS 16 0.140 10.064 -7.370 101 1HZ LYS 16 1HZ LYS 16 -0.494 8.109 -6.304 102 2HZ LYS 16 2HZ LYS 16 -0.762 9.337 -5.159 103 3HZ LYS 16 3HZ LYS 16 0.602 8.330 -5.025 104 H PHE 17 H PHE 17 1.293 15.493 -6.143 105 HA PHE 17 HA PHE 17 -1.276 16.688 -7.000 106 1HB PHE 17 1HB PHE 17 0.126 17.115 -4.380 107 HD1 PHE 17 HD1 PHE 17 0.362 14.205 -5.356 108 HD2 PHE 17 HD2 PHE 17 -2.768 16.200 -3.230 109 HE1 PHE 17 HE1 PHE 17 -0.492 12.096 -4.653 110 HE2 PHE 17 HE2 PHE 17 -3.584 14.011 -2.438 111 HZ PHE 17 HZ PHE 17 -2.414 11.939 -3.147 112 H MET 18 H MET 18 1.812 17.026 -7.305 113 HA MET 18 HA MET 18 1.935 19.865 -6.918 114 1HB MET 18 1HB MET 18 3.841 18.703 -6.199 115 1HG MET 18 1HG MET 18 4.355 19.486 -9.089 116 1HE MET 18 1HE MET 18 7.973 19.902 -9.417 117 2HE MET 18 2HE MET 18 6.418 20.701 -9.639 118 3HE MET 18 3HE MET 18 7.473 21.183 -8.311 119 H GLU 19 H GLU 19 2.272 17.421 -9.329 120 HA GLU 19 HA GLU 19 2.579 19.312 -11.413 121 1HB GLU 19 1HB GLU 19 1.929 16.377 -11.515 122 1HG GLU 19 1HG GLU 19 4.029 17.069 -10.267 123 H LYS 20 H LYS 20 0.056 17.544 -9.810 124 HA LYS 20 HA LYS 20 -1.718 18.369 -11.994 125 1HB LYS 20 1HB LYS 20 -2.602 15.900 -11.812 126 1HG LYS 20 1HG LYS 20 0.213 15.755 -10.756 127 1HD LYS 20 1HD LYS 20 0.222 13.385 -11.385 128 1HE LYS 20 1HE LYS 20 -0.233 15.189 -13.755 129 1HZ LYS 20 1HZ LYS 20 1.460 12.787 -13.796 130 2HZ LYS 20 2HZ LYS 20 0.716 13.602 -15.084 131 3HZ LYS 20 3HZ LYS 20 -0.211 12.630 -14.049 132 H MET 21 H MET 21 -1.738 16.955 -8.726 133 HA MET 21 HA MET 21 -4.452 16.830 -8.380 134 1HB MET 21 1HB MET 21 -2.248 17.255 -6.400 135 1HG MET 21 1HG MET 21 -2.577 15.028 -7.361 136 1HE MET 21 1HE MET 21 -5.256 16.240 -5.065 137 2HE MET 21 2HE MET 21 -6.760 15.528 -5.652 138 3HE MET 21 3HE MET 21 -5.710 14.610 -4.571 139 H GLY 22 H GLY 22 -2.680 19.174 -6.530 140 1HA GLY 22 1HA GLY 22 -4.847 21.142 -7.047 141 2HA GLY 22 2HA GLY 22 -4.166 20.881 -5.437 142 H ILE 23 H ILE 23 -1.583 20.559 -6.072 143 HA ILE 23 HA ILE 23 0.374 21.621 -6.358 144 HB ILE 23 HB ILE 23 0.876 21.785 -8.558 145 1HG1 ILE 23 1HG1 ILE 23 -1.827 23.037 -9.156 146 1HG2 ILE 23 1HG2 ILE 23 -0.544 20.298 -9.839 147 2HG2 ILE 23 2HG2 ILE 23 -0.471 19.718 -8.163 148 3HG2 ILE 23 3HG2 ILE 23 -1.898 20.596 -8.753 149 1HD1 ILE 23 1HD1 ILE 23 -1.253 22.299 -11.223 150 2HD1 ILE 23 2HD1 ILE 23 -0.364 23.821 -11.202 151 3HD1 ILE 23 3HD1 ILE 23 0.475 22.306 -10.872 152 H ASN 24 H ASN 24 -1.639 23.170 -5.019 153 HA ASN 24 HA ASN 24 -0.147 25.649 -5.013 154 1HB ASN 24 1HB ASN 24 -3.176 25.695 -4.873 155 1HD2 ASN 24 1HD2 ASN 24 -4.246 25.646 -6.692 156 2HD2 ASN 24 2HD2 ASN 24 -3.627 26.060 -8.256 157 H VAL 25 H VAL 25 -2.999 24.104 -3.657 158 HA VAL 25 HA VAL 25 -2.046 24.434 -0.941 159 HB VAL 25 HB VAL 25 -4.121 23.139 -0.346 160 1HG1 VAL 25 1HG1 VAL 25 -5.061 25.134 -0.079 161 2HG1 VAL 25 2HG1 VAL 25 -3.830 25.812 -1.144 162 3HG1 VAL 25 3HG1 VAL 25 -5.370 25.268 -1.810 163 1HG2 VAL 25 1HG2 VAL 25 -5.168 22.002 -1.947 164 2HG2 VAL 25 2HG2 VAL 25 -5.667 23.542 -2.649 165 3HG2 VAL 25 3HG2 VAL 25 -4.183 22.761 -3.197 166 H VAL 26 H VAL 26 -0.979 22.937 0.096 167 HA VAL 26 HA VAL 26 0.132 20.708 -1.259 168 HB VAL 26 HB VAL 26 0.178 21.155 1.730 169 1HG1 VAL 26 1HG1 VAL 26 1.007 19.001 1.215 170 2HG1 VAL 26 2HG1 VAL 26 1.933 19.603 -0.163 171 3HG1 VAL 26 3HG1 VAL 26 2.420 20.022 1.483 172 1HG2 VAL 26 1HG2 VAL 26 1.627 22.844 1.529 173 2HG2 VAL 26 2HG2 VAL 26 2.509 22.050 0.224 174 3HG2 VAL 26 3HG2 VAL 26 1.049 22.971 -0.131 175 H LYS 27 H LYS 27 -1.951 19.706 -1.882 176 HA LYS 27 HA LYS 27 -3.708 18.547 -0.049 177 1HB LYS 27 1HB LYS 27 -3.081 17.962 -2.921 178 1HG LYS 27 1HG LYS 27 -4.462 19.919 -2.460 179 1HD LYS 27 1HD LYS 27 -6.269 17.917 -1.105 180 1HE LYS 27 1HE LYS 27 -7.769 19.855 -0.735 181 1HZ LYS 27 1HZ LYS 27 -8.883 19.592 -2.697 182 2HZ LYS 27 2HZ LYS 27 -7.863 18.236 -2.760 183 3HZ LYS 27 3HZ LYS 27 -7.478 19.632 -3.648 184 H ARG 28 H ARG 28 -0.595 17.512 -1.098 185 HA ARG 28 HA ARG 28 -0.634 15.536 0.950 186 1HB ARG 28 1HB ARG 28 -1.551 14.351 -1.148 187 1HG ARG 28 1HG ARG 28 0.424 12.503 -0.727 188 1HD ARG 28 1HD ARG 28 -1.779 11.850 -0.520 189 HE ARG 28 HE ARG 28 -2.299 14.317 0.588 190 1HH1 ARG 28 1HH1 ARG 28 -3.124 11.041 1.464 191 2HH1 ARG 28 2HH1 ARG 28 -4.667 11.481 2.128 192 1HH2 ARG 28 1HH2 ARG 28 -4.305 14.898 1.428 193 2HH2 ARG 28 2HH2 ARG 28 -5.374 13.673 2.048 194 H LYS 29 H LYS 29 1.257 16.122 -2.024 195 HA LYS 29 HA LYS 29 3.506 15.813 -2.254 196 1HB LYS 29 1HB LYS 29 3.885 18.280 -0.715 197 1HG LYS 29 1HG LYS 29 1.560 18.131 -2.068 198 1HD LYS 29 1HD LYS 29 2.808 17.735 -4.191 199 1HE LYS 29 1HE LYS 29 4.569 19.506 -3.462 200 1HZ LYS 29 1HZ LYS 29 4.192 21.664 -3.983 201 2HZ LYS 29 2HZ LYS 29 2.617 21.245 -3.515 202 3HZ LYS 29 3HZ LYS 29 3.022 21.312 -5.161 203 H LEU 30 H LEU 30 3.223 14.027 -0.789 204 HA LEU 30 HA LEU 30 4.840 14.152 1.634 205 1HB LEU 30 1HB LEU 30 3.510 11.883 0.149 206 HG LEU 30 HG LEU 30 1.923 13.092 1.531 207 1HD1 LEU 30 1HD1 LEU 30 2.835 10.400 2.472 208 2HD1 LEU 30 2HD1 LEU 30 1.449 11.204 3.208 209 3HD1 LEU 30 3HD1 LEU 30 1.433 10.822 1.488 210 1HD2 LEU 30 1HD2 LEU 30 2.472 12.840 4.110 211 2HD2 LEU 30 2HD2 LEU 30 4.127 12.935 3.510 212 3HD2 LEU 30 3HD2 LEU 30 2.991 14.244 3.178 213 H GLY 31 H GLY 31 5.178 14.424 -1.524 214 1HA GLY 31 1HA GLY 31 6.989 12.709 -2.537 215 2HA GLY 31 2HA GLY 31 7.017 14.401 -2.883 216 H ALA 32 H ALA 32 7.618 15.412 -0.433 217 HA ALA 32 HA ALA 32 10.154 14.203 0.396 218 1HB ALA 32 1HB ALA 32 10.898 16.763 0.549 219 2HB ALA 32 2HB ALA 32 11.182 15.777 -0.886 220 3HB ALA 32 3HB ALA 32 9.807 16.879 -0.833 221 H HIS 33 H HIS 33 10.558 14.407 2.587 222 HA HIS 33 HA HIS 33 9.557 16.408 4.204 223 1HB HIS 33 1HB HIS 33 7.815 15.348 5.539 224 HD1 HIS 33 HD1 HIS 33 7.735 13.091 2.470 225 HD2 HIS 33 HD2 HIS 33 7.310 12.941 6.599 226 HE1 HIS 33 HE1 HIS 33 7.091 10.723 2.994 227 HE2 HIS 33 HE2 HIS 33 6.607 10.723 5.468 228 H ALA 34 H ALA 34 10.374 12.899 4.319 229 HA ALA 34 HA ALA 34 12.490 13.421 6.179 230 1HB ALA 34 1HB ALA 34 9.931 13.132 7.283 231 2HB ALA 34 2HB ALA 34 10.794 11.635 7.633 232 3HB ALA 34 3HB ALA 34 11.476 13.186 8.130 233 H ASN 35 H ASN 35 13.086 11.210 7.348 234 HA ASN 35 HA ASN 35 13.527 9.256 5.218 235 1HB ASN 35 1HB ASN 35 14.708 9.459 7.999 236 1HD2 ASN 35 1HD2 ASN 35 16.011 11.112 8.131 237 2HD2 ASN 35 2HD2 ASN 35 16.992 11.754 6.859 238 H LEU 36 H LEU 36 13.515 6.842 6.022 239 HA LEU 36 HA LEU 36 11.414 6.161 7.866 240 1HB LEU 36 1HB LEU 36 10.062 5.232 5.897 241 HG LEU 36 HG LEU 36 12.092 6.775 4.504 242 1HD1 LEU 36 1HD1 LEU 36 11.089 4.368 4.209 243 2HD1 LEU 36 2HD1 LEU 36 9.938 5.223 3.172 244 3HD1 LEU 36 3HD1 LEU 36 11.672 5.309 2.832 245 1HD2 LEU 36 1HD2 LEU 36 10.652 8.006 3.033 246 2HD2 LEU 36 2HD2 LEU 36 9.214 7.383 3.847 247 3HD2 LEU 36 3HD2 LEU 36 10.299 8.482 4.697 248 H LYS 37 H LYS 37 10.838 3.802 7.760 249 HA LYS 37 HA LYS 37 12.837 2.361 6.218 250 1HB LYS 37 1HB LYS 37 13.403 0.849 7.993 251 1HG LYS 37 1HG LYS 37 11.289 2.309 9.558 252 1HD LYS 37 1HD LYS 37 13.329 2.220 10.904 253 1HE LYS 37 1HE LYS 37 13.205 -0.745 10.355 254 1HZ LYS 37 1HZ LYS 37 14.229 0.678 12.612 255 2HZ LYS 37 2HZ LYS 37 15.441 -0.208 11.826 256 3HZ LYS 37 3HZ LYS 37 14.044 -0.993 12.382 257 H LEU 38 H LEU 38 12.065 0.638 5.127 258 HA LEU 38 HA LEU 38 9.283 -0.105 5.673 259 1HB LEU 38 1HB LEU 38 10.838 0.266 3.133 260 HG LEU 38 HG LEU 38 9.907 2.309 3.063 261 1HD1 LEU 38 1HD1 LEU 38 7.125 1.393 2.911 262 2HD1 LEU 38 2HD1 LEU 38 8.074 2.363 1.782 263 3HD1 LEU 38 3HD1 LEU 38 8.249 0.607 1.801 264 1HD2 LEU 38 1HD2 LEU 38 8.541 3.246 4.647 265 2HD2 LEU 38 2HD2 LEU 38 7.616 1.763 4.884 266 3HD2 LEU 38 3HD2 LEU 38 9.241 1.905 5.554 267 H THR 39 H THR 39 8.864 -2.222 5.718 268 HA THR 39 HA THR 39 11.062 -4.168 5.407 269 HB THR 39 HB THR 39 9.294 -3.744 7.842 270 HG1 THR 39 HG1 THR 39 11.969 -2.847 7.323 271 1HG2 THR 39 1HG2 THR 39 10.190 -5.999 7.757 272 2HG2 THR 39 2HG2 THR 39 11.112 -5.099 8.961 273 3HG2 THR 39 3HG2 THR 39 11.805 -5.402 7.367 274 H ILE 40 H ILE 40 9.740 -6.661 6.011 275 HA ILE 40 HA ILE 40 6.936 -6.427 5.488 276 HB ILE 40 HB ILE 40 6.886 -7.866 3.474 277 1HG1 ILE 40 1HG1 ILE 40 9.164 -8.789 3.814 278 1HG2 ILE 40 1HG2 ILE 40 8.121 -5.182 3.151 279 2HG2 ILE 40 2HG2 ILE 40 7.742 -6.184 1.750 280 3HG2 ILE 40 3HG2 ILE 40 6.461 -5.699 2.858 281 1HD1 ILE 40 1HD1 ILE 40 10.426 -6.962 1.957 282 2HD1 ILE 40 2HD1 ILE 40 10.155 -6.297 3.572 283 3HD1 ILE 40 3HD1 ILE 40 11.067 -7.795 3.375 284 H THR 41 H THR 41 6.605 -7.797 7.247 285 HA THR 41 HA THR 41 7.191 -10.578 6.759 286 HB THR 41 HB THR 41 9.379 -9.557 7.317 287 HG1 THR 41 HG1 THR 41 9.505 -11.672 7.679 288 1HG2 THR 41 1HG2 THR 41 9.719 -9.445 9.919 289 2HG2 THR 41 2HG2 THR 41 8.025 -8.947 9.871 290 3HG2 THR 41 3HG2 THR 41 9.241 -8.043 8.946 291 H GLN 42 H GLN 42 5.588 -11.776 7.621 292 HA GLN 42 HA GLN 42 4.795 -11.618 10.293 293 1HB GLN 42 1HB GLN 42 3.587 -9.612 9.836 294 1HG GLN 42 1HG GLN 42 1.163 -10.456 9.868 295 1HE2 GLN 42 1HE2 GLN 42 3.887 -9.939 11.467 296 2HE2 GLN 42 2HE2 GLN 42 3.398 -10.288 13.087 297 H GLU 43 H GLU 43 2.759 -12.086 7.404 298 HA GLU 43 HA GLU 43 2.459 -14.822 8.312 299 1HB GLU 43 1HB GLU 43 0.427 -13.264 6.721 300 1HG GLU 43 1HG GLU 43 0.557 -13.748 9.680 301 H GLY 44 H GLY 44 1.769 -16.362 6.260 302 1HA GLY 44 1HA GLY 44 3.461 -15.221 4.147 303 2HA GLY 44 2HA GLY 44 3.287 -16.959 4.385 304 H ASN 45 H ASN 45 1.792 -14.097 3.695 305 HA ASN 45 HA ASN 45 1.443 -14.536 1.103 306 1HB ASN 45 1HB ASN 45 -1.081 -14.145 0.816 307 1HD2 ASN 45 1HD2 ASN 45 -0.213 -15.120 4.118 308 2HD2 ASN 45 2HD2 ASN 45 -1.821 -14.963 4.748 309 H LYS 46 H LYS 46 2.643 -12.735 1.569 310 HA LYS 46 HA LYS 46 1.235 -10.286 2.219 311 1HB LYS 46 1HB LYS 46 2.080 -12.107 4.259 312 1HG LYS 46 1HG LYS 46 1.308 -9.222 4.603 313 1HD LYS 46 1HD LYS 46 1.304 -11.595 6.465 314 1HE LYS 46 1HE LYS 46 0.719 -9.952 8.193 315 1HZ LYS 46 1HZ LYS 46 -1.363 -10.592 7.904 316 2HZ LYS 46 2HZ LYS 46 -1.002 -11.082 6.324 317 3HZ LYS 46 3HZ LYS 46 -1.571 -9.516 6.616 318 H PHE 47 H PHE 47 2.647 -8.610 2.639 319 HA PHE 47 HA PHE 47 5.440 -9.000 2.801 320 1HB PHE 47 1HB PHE 47 4.364 -7.338 0.508 321 HD1 PHE 47 HD1 PHE 47 4.040 -9.542 -0.614 322 HD2 PHE 47 HD2 PHE 47 7.846 -8.178 0.697 323 HE1 PHE 47 HE1 PHE 47 5.128 -11.145 -2.114 324 HE2 PHE 47 HE2 PHE 47 8.944 -9.782 -0.809 325 HZ PHE 47 HZ PHE 47 7.572 -11.259 -2.226 326 H THR 48 H THR 48 5.321 -8.132 4.897 327 HA THR 48 HA THR 48 4.026 -5.503 5.102 328 HB THR 48 HB THR 48 3.210 -7.970 6.623 329 HG1 THR 48 HG1 THR 48 1.861 -6.303 4.823 330 1HG2 THR 48 1HG2 THR 48 1.582 -6.503 7.715 331 2HG2 THR 48 2HG2 THR 48 2.256 -5.116 6.836 332 3HG2 THR 48 3HG2 THR 48 3.253 -5.988 8.026 333 H VAL 49 H VAL 49 5.558 -4.345 5.993 334 HA VAL 49 HA VAL 49 5.519 -4.355 8.682 335 HB VAL 49 HB VAL 49 8.209 -5.227 7.584 336 1HG1 VAL 49 1HG1 VAL 49 7.557 -4.249 10.394 337 2HG1 VAL 49 2HG1 VAL 49 9.131 -4.809 9.820 338 3HG1 VAL 49 3HG1 VAL 49 8.432 -3.334 9.158 339 1HG2 VAL 49 1HG2 VAL 49 6.186 -6.633 9.046 340 2HG2 VAL 49 2HG2 VAL 49 7.666 -7.218 8.232 341 3HG2 VAL 49 3HG2 VAL 49 7.737 -6.634 9.915 342 H LYS 50 H LYS 50 5.977 -2.014 9.135 343 HA LYS 50 HA LYS 50 8.373 -1.130 8.171 344 1HB LYS 50 1HB LYS 50 7.004 0.887 6.773 345 1HG LYS 50 1HG LYS 50 6.020 -1.824 6.032 346 1HD LYS 50 1HD LYS 50 6.039 0.560 4.208 347 1HE LYS 50 1HE LYS 50 5.373 -2.334 3.679 348 1HZ LYS 50 1HZ LYS 50 5.846 -0.189 1.975 349 2HZ LYS 50 2HZ LYS 50 4.168 -0.418 1.970 350 3HZ LYS 50 3HZ LYS 50 5.202 -1.697 1.563 351 H GLU 51 H GLU 51 8.767 -0.243 10.140 352 HA GLU 51 HA GLU 51 6.823 1.870 10.979 353 1HB GLU 51 1HB GLU 51 8.659 0.228 12.751 354 1HG GLU 51 1HG GLU 51 5.794 -0.488 12.202 355 H SER 52 H SER 52 8.389 3.331 9.666 356 HA SER 52 HA SER 52 9.509 4.926 11.643 357 1HB SER 52 1HB SER 52 11.600 4.123 11.704 358 HG SER 52 HG SER 52 12.701 4.506 9.442 359 H SER 53 H SER 53 9.042 6.931 10.992 360 HA SER 53 HA SER 53 9.804 7.911 8.470 361 1HB SER 53 1HB SER 53 6.824 7.646 8.946 362 HG SER 53 HG SER 53 8.434 6.137 7.586 363 H ASN 54 H ASN 54 10.508 9.839 8.927 364 HA ASN 54 HA ASN 54 10.774 11.893 9.886 365 1HB ASN 54 1HB ASN 54 8.307 12.203 9.851 366 1HD2 ASN 54 1HD2 ASN 54 7.911 12.773 12.981 367 2HD2 ASN 54 2HD2 ASN 54 8.590 14.362 13.098 368 H PHE 55 H PHE 55 9.491 9.492 12.188 369 HA PHE 55 HA PHE 55 12.013 9.154 13.418 370 1HB PHE 55 1HB PHE 55 11.414 11.326 14.472 371 HD1 PHE 55 HD1 PHE 55 13.521 9.494 14.948 372 HD2 PHE 55 HD2 PHE 55 10.142 10.334 17.395 373 HE1 PHE 55 HE1 PHE 55 14.782 8.765 16.929 374 HE2 PHE 55 HE2 PHE 55 11.399 9.608 19.381 375 HZ PHE 55 HZ PHE 55 13.720 8.821 19.149 376 H ARG 56 H ARG 56 8.631 9.096 14.556 377 HA ARG 56 HA ARG 56 8.917 6.198 15.052 378 1HB ARG 56 1HB ARG 56 8.342 7.637 17.025 379 1HG ARG 56 1HG ARG 56 6.297 6.434 17.766 380 1HD ARG 56 1HD ARG 56 7.285 4.206 17.756 381 HE ARG 56 HE ARG 56 9.728 5.641 18.051 382 1HH1 ARG 56 1HH1 ARG 56 6.564 5.135 19.478 383 2HH1 ARG 56 2HH1 ARG 56 7.012 5.813 21.016 384 1HH2 ARG 56 1HH2 ARG 56 10.321 6.516 20.074 385 2HH2 ARG 56 2HH2 ARG 56 9.129 6.639 21.344 386 H ASN 57 H ASN 57 7.535 4.780 13.964 387 HA ASN 57 HA ASN 57 5.142 5.631 12.743 388 1HB ASN 57 1HB ASN 57 7.423 6.227 11.211 389 1HD2 ASN 57 1HD2 ASN 57 6.466 8.092 10.837 390 2HD2 ASN 57 2HD2 ASN 57 4.964 8.304 9.986 391 H ILE 58 H ILE 58 4.409 3.898 11.183 392 HA ILE 58 HA ILE 58 5.496 1.418 11.202 393 HB ILE 58 HB ILE 58 5.119 0.994 13.378 394 1HG1 ILE 58 1HG1 ILE 58 2.438 0.054 12.321 395 1HG2 ILE 58 1HG2 ILE 58 3.821 3.097 13.767 396 2HG2 ILE 58 2HG2 ILE 58 2.359 2.218 13.290 397 3HG2 ILE 58 3HG2 ILE 58 3.267 1.709 14.716 398 1HD1 ILE 58 1HD1 ILE 58 3.664 -2.131 13.286 399 2HD1 ILE 58 2HD1 ILE 58 4.310 -0.886 14.354 400 3HD1 ILE 58 3HD1 ILE 58 2.567 -1.109 14.214 401 H ASP 59 H ASP 59 4.635 0.315 9.686 402 HA ASP 59 HA ASP 59 1.862 0.742 9.053 403 1HB ASP 59 1HB ASP 59 3.032 2.370 7.627 404 H VAL 60 H VAL 60 1.692 -1.296 9.831 405 HA VAL 60 HA VAL 60 2.773 -3.413 8.104 406 HB VAL 60 HB VAL 60 2.921 -4.859 10.021 407 1HG1 VAL 60 1HG1 VAL 60 3.990 -2.250 11.055 408 2HG1 VAL 60 2HG1 VAL 60 4.721 -3.864 11.120 409 3HG1 VAL 60 3HG1 VAL 60 4.651 -2.992 9.587 410 1HG2 VAL 60 1HG2 VAL 60 2.319 -4.267 12.264 411 2HG2 VAL 60 2HG2 VAL 60 1.890 -2.626 11.774 412 3HG2 VAL 60 3HG2 VAL 60 0.906 -3.991 11.244 413 H VAL 61 H VAL 61 1.033 -3.682 6.734 414 HA VAL 61 HA VAL 61 -1.235 -5.127 7.684 415 HB VAL 61 HB VAL 61 -2.831 -3.355 6.483 416 1HG1 VAL 61 1HG1 VAL 61 -3.455 -2.471 8.699 417 2HG1 VAL 61 2HG1 VAL 61 -3.258 -4.224 8.683 418 3HG1 VAL 61 3HG1 VAL 61 -1.997 -3.201 9.372 419 1HG2 VAL 61 1HG2 VAL 61 -2.116 -1.067 7.522 420 2HG2 VAL 61 2HG2 VAL 61 -0.494 -1.749 7.406 421 3HG2 VAL 61 3HG2 VAL 61 -1.482 -1.574 5.956 422 H PHE 62 H PHE 62 -0.915 -6.647 6.118 423 HA PHE 62 HA PHE 62 -1.823 -5.891 3.494 424 1HB PHE 62 1HB PHE 62 0.801 -7.381 3.705 425 HD1 PHE 62 HD1 PHE 62 0.893 -5.649 0.809 426 HD2 PHE 62 HD2 PHE 62 1.207 -4.961 4.984 427 HE1 PHE 62 HE1 PHE 62 2.336 -3.701 0.381 428 HE2 PHE 62 HE2 PHE 62 2.622 -3.030 4.576 429 HZ PHE 62 HZ PHE 62 3.213 -2.383 2.262 430 H GLU 63 H GLU 63 -2.227 -7.820 2.172 431 HA GLU 63 HA GLU 63 -2.489 -10.374 3.545 432 1HB GLU 63 1HB GLU 63 -4.538 -8.892 4.045 433 1HG GLU 63 1HG GLU 63 -6.235 -10.563 3.365 434 H LEU 64 H LEU 64 -3.283 -11.957 1.841 435 HA LEU 64 HA LEU 64 -1.785 -11.638 -0.497 436 1HB LEU 64 1HB LEU 64 -2.841 -13.735 0.487 437 HG LEU 64 HG LEU 64 -1.742 -13.527 -1.881 438 1HD1 LEU 64 1HD1 LEU 64 -3.191 -15.708 -0.545 439 2HD1 LEU 64 2HD1 LEU 64 -2.860 -15.958 -2.260 440 3HD1 LEU 64 3HD1 LEU 64 -1.532 -15.642 -1.142 441 1HD2 LEU 64 1HD2 LEU 64 -4.624 -14.105 -2.558 442 2HD2 LEU 64 2HD2 LEU 64 -3.745 -12.634 -2.976 443 3HD2 LEU 64 3HD2 LEU 64 -3.259 -14.180 -3.671 444 H GLY 65 H GLY 65 -4.897 -10.664 0.547 445 1HA GLY 65 1HA GLY 65 -4.899 -8.693 -1.534 446 2HA GLY 65 2HA GLY 65 -6.374 -9.643 -1.513 447 H VAL 66 H VAL 66 -4.421 -7.348 0.126 448 HA VAL 66 HA VAL 66 -6.138 -7.149 2.424 449 HB VAL 66 HB VAL 66 -3.521 -6.932 2.259 450 1HG1 VAL 66 1HG1 VAL 66 -2.603 -5.057 1.489 451 2HG1 VAL 66 2HG1 VAL 66 -4.164 -4.717 0.732 452 3HG1 VAL 66 3HG1 VAL 66 -3.776 -4.036 2.317 453 1HG2 VAL 66 1HG2 VAL 66 -5.342 -5.292 3.994 454 2HG2 VAL 66 2HG2 VAL 66 -4.571 -6.841 4.351 455 3HG2 VAL 66 3HG2 VAL 66 -3.600 -5.371 4.260 456 H ASP 67 H ASP 67 -6.527 -4.755 3.175 457 HA ASP 67 HA ASP 67 -6.744 -2.966 0.962 458 1HB ASP 67 1HB ASP 67 -8.902 -2.047 1.374 459 H PHE 68 H PHE 68 -6.218 -1.029 1.384 460 HA PHE 68 HA PHE 68 -5.537 -0.239 4.122 461 1HB PHE 68 1HB PHE 68 -4.544 0.631 1.388 462 HD1 PHE 68 HD1 PHE 68 -2.326 1.645 3.812 463 HD2 PHE 68 HD2 PHE 68 -3.674 -1.889 1.872 464 HE1 PHE 68 HE1 PHE 68 -0.170 0.565 4.298 465 HE2 PHE 68 HE2 PHE 68 -1.528 -2.977 2.360 466 HZ PHE 68 HZ PHE 68 0.228 -1.754 3.573 467 H ALA 69 H ALA 69 -6.297 1.803 4.754 468 HA ALA 69 HA ALA 69 -7.363 3.543 2.901 469 1HB ALA 69 1HB ALA 69 -9.425 1.966 4.424 470 2HB ALA 69 2HB ALA 69 -9.770 3.517 3.651 471 3HB ALA 69 3HB ALA 69 -9.222 2.144 2.667 472 H TYR 70 H TYR 70 -6.207 5.029 3.855 473 HA TYR 70 HA TYR 70 -7.283 6.484 6.022 474 1HB TYR 70 1HB TYR 70 -5.253 6.411 7.383 475 HD1 TYR 70 HD1 TYR 70 -3.232 6.852 5.869 476 HD2 TYR 70 HD2 TYR 70 -4.726 2.968 6.752 477 HE1 TYR 70 HE1 TYR 70 -1.058 5.884 5.259 478 HE2 TYR 70 HE2 TYR 70 -2.555 1.987 6.139 479 HH TYR 70 HH TYR 70 -0.312 2.497 5.804 480 H SER 71 H SER 71 -6.138 8.610 6.148 481 HA SER 71 HA SER 71 -5.314 9.006 3.429 482 1HB SER 71 1HB SER 71 -7.197 10.286 4.118 483 HG SER 71 HG SER 71 -6.557 11.879 2.981 484 H LEU 72 H LEU 72 -3.378 8.852 3.085 485 HA LEU 72 HA LEU 72 -1.269 8.723 4.704 486 1HB LEU 72 1HB LEU 72 -1.046 9.945 1.960 487 HG LEU 72 HG LEU 72 -1.837 7.200 2.716 488 1HD1 LEU 72 1HD1 LEU 72 -3.255 7.425 1.005 489 2HD1 LEU 72 2HD1 LEU 72 -2.838 9.136 1.094 490 3HD1 LEU 72 3HD1 LEU 72 -2.020 8.088 -0.063 491 1HD2 LEU 72 1HD2 LEU 72 -0.523 6.724 0.336 492 2HD2 LEU 72 2HD2 LEU 72 0.644 7.659 1.263 493 3HD2 LEU 72 3HD2 LEU 72 -0.018 6.168 1.930 494 H ALA 73 H ALA 73 -2.772 11.725 3.765 495 HA ALA 73 HA ALA 73 -1.110 13.115 5.668 496 1HB ALA 73 1HB ALA 73 0.326 13.397 3.814 497 2HB ALA 73 2HB ALA 73 -1.014 13.828 2.750 498 3HB ALA 73 3HB ALA 73 -0.517 14.932 4.034 499 H ASP 74 H ASP 74 -3.916 12.580 5.676 500 HA ASP 74 HA ASP 74 -4.859 15.015 6.556 501 1HB ASP 74 1HB ASP 74 -4.830 15.500 4.015 502 H GLY 75 H GLY 75 -7.683 14.533 5.472 503 1HA GLY 75 1HA GLY 75 -8.471 12.555 7.449 504 2HA GLY 75 2HA GLY 75 -9.548 13.507 6.429 505 H THR 76 H THR 76 -8.767 10.521 7.099 506 HA THR 76 HA THR 76 -7.785 8.835 5.540 507 HB THR 76 HB THR 76 -10.172 7.588 5.350 508 HG1 THR 76 HG1 THR 76 -11.380 9.384 6.072 509 1HG2 THR 76 1HG2 THR 76 -9.748 6.779 7.670 510 2HG2 THR 76 2HG2 THR 76 -8.511 8.028 7.827 511 3HG2 THR 76 3HG2 THR 76 -8.323 6.746 6.630 512 H GLU 77 H GLU 77 -7.351 8.319 3.630 513 HA GLU 77 HA GLU 77 -9.161 8.229 1.481 514 1HB GLU 77 1HB GLU 77 -8.669 10.079 0.226 515 1HG GLU 77 1HG GLU 77 -6.281 10.579 1.951 516 H LEU 78 H LEU 78 -8.379 6.195 1.302 517 HA LEU 78 HA LEU 78 -6.133 5.895 -0.331 518 1HB LEU 78 1HB LEU 78 -4.877 6.267 1.660 519 HG LEU 78 HG LEU 78 -4.914 3.302 1.209 520 1HD1 LEU 78 1HD1 LEU 78 -2.895 3.716 -0.104 521 2HD1 LEU 78 2HD1 LEU 78 -4.255 4.625 -0.761 522 3HD1 LEU 78 3HD1 LEU 78 -3.032 5.447 0.208 523 1HD2 LEU 78 1HD2 LEU 78 -3.121 3.066 2.604 524 2HD2 LEU 78 2HD2 LEU 78 -2.605 4.740 2.405 525 3HD2 LEU 78 3HD2 LEU 78 -3.984 4.362 3.435 526 H THR 79 H THR 79 -5.573 3.784 -0.695 527 HA THR 79 HA THR 79 -7.801 1.876 -0.586 528 HB THR 79 HB THR 79 -7.433 1.417 -2.785 529 HG1 THR 79 HG1 THR 79 -5.082 0.835 -1.904 530 1HG2 THR 79 1HG2 THR 79 -7.494 3.857 -2.707 531 2HG2 THR 79 2HG2 THR 79 -6.563 3.264 -4.086 532 3HG2 THR 79 3HG2 THR 79 -5.731 3.916 -2.665 533 H GLY 80 H GLY 80 -7.128 -0.246 -0.756 534 1HA GLY 80 1HA GLY 80 -4.466 -0.664 -1.009 535 2HA GLY 80 2HA GLY 80 -4.925 -1.196 0.545 536 H THR 81 H THR 81 -3.834 -2.590 -1.372 537 HA THR 81 HA THR 81 -4.972 -4.901 -0.819 538 HB THR 81 HB THR 81 -5.104 -4.726 -3.834 539 HG1 THR 81 HG1 THR 81 -7.186 -4.135 -3.736 540 1HG2 THR 81 1HG2 THR 81 -6.121 -6.599 -1.700 541 2HG2 THR 81 2HG2 THR 81 -4.947 -6.937 -2.978 542 3HG2 THR 81 3HG2 THR 81 -6.649 -6.698 -3.377 543 H TRP 82 H TRP 82 -3.520 -6.569 -1.620 544 HA TRP 82 HA TRP 82 -1.369 -5.661 -3.233 545 1HB TRP 82 1HB TRP 82 -0.881 -6.459 -0.342 546 HD1 TRP 82 HD1 TRP 82 -1.967 -4.161 0.477 547 HE1 TRP 82 HE1 TRP 82 -1.242 -1.728 0.243 548 HE3 TRP 82 HE3 TRP 82 1.652 -4.815 -2.999 549 HZ2 TRP 82 HZ2 TRP 82 0.710 -0.223 -1.254 550 HZ3 TRP 82 HZ3 TRP 82 2.911 -2.878 -3.798 551 HH2 TRP 82 HH2 TRP 82 2.458 -0.647 -2.966 552 H THR 83 H THR 83 -1.806 -7.293 -4.666 553 HA THR 83 HA THR 83 -1.787 -10.021 -3.574 554 HB THR 83 HB THR 83 -3.070 -9.459 -6.181 555 HG1 THR 83 HG1 THR 83 -4.153 -7.856 -5.126 556 1HG2 THR 83 1HG2 THR 83 -2.814 -11.701 -4.775 557 2HG2 THR 83 2HG2 THR 83 -4.281 -11.375 -5.708 558 3HG2 THR 83 3HG2 THR 83 -4.255 -11.094 -3.959 559 H MET 84 H MET 84 0.326 -10.461 -3.960 560 HA MET 84 HA MET 84 0.976 -10.934 -6.742 561 1HB MET 84 1HB MET 84 3.349 -10.194 -6.178 562 1HG MET 84 1HG MET 84 3.647 -8.357 -4.760 563 1HE MET 84 1HE MET 84 1.640 -10.508 -1.344 564 2HE MET 84 2HE MET 84 1.434 -8.858 -1.930 565 3HE MET 84 3HE MET 84 0.762 -10.205 -2.848 566 H GLU 85 H GLU 85 3.105 -12.021 -6.843 567 HA GLU 85 HA GLU 85 3.876 -13.626 -4.619 568 1HB GLU 85 1HB GLU 85 3.333 -15.233 -7.028 569 1HG GLU 85 1HG GLU 85 1.240 -16.162 -5.679 570 H GLY 86 H GLY 86 5.743 -12.564 -5.135 571 1HA GLY 86 1HA GLY 86 7.141 -13.562 -7.407 572 2HA GLY 86 2HA GLY 86 6.388 -11.990 -7.628 573 H ASN 87 H ASN 87 8.638 -12.123 -8.048 574 HA ASN 87 HA ASN 87 10.064 -10.642 -5.988 575 1HB ASN 87 1HB ASN 87 11.269 -11.790 -7.884 576 1HD2 ASN 87 1HD2 ASN 87 11.552 -9.156 -9.732 577 2HD2 ASN 87 2HD2 ASN 87 12.806 -8.319 -8.885 578 H LYS 88 H LYS 88 7.073 -10.174 -6.421 579 HA LYS 88 HA LYS 88 7.277 -7.415 -7.385 580 1HB LYS 88 1HB LYS 88 5.903 -7.642 -9.160 581 1HG LYS 88 1HG LYS 88 4.137 -8.699 -7.437 582 1HD LYS 88 1HD LYS 88 4.968 -10.973 -7.615 583 1HE LYS 88 1HE LYS 88 4.372 -10.588 -10.548 584 1HZ LYS 88 1HZ LYS 88 3.709 -12.707 -10.549 585 2HZ LYS 88 2HZ LYS 88 4.260 -13.000 -8.967 586 3HZ LYS 88 3HZ LYS 88 5.337 -13.096 -10.272 587 H LEU 89 H LEU 89 5.602 -6.137 -6.798 588 HA LEU 89 HA LEU 89 3.594 -7.078 -4.904 589 1HB LEU 89 1HB LEU 89 5.027 -4.542 -5.420 590 HG LEU 89 HG LEU 89 5.657 -5.665 -3.505 591 1HD1 LEU 89 1HD1 LEU 89 4.475 -3.826 -1.820 592 2HD1 LEU 89 2HD1 LEU 89 5.982 -3.635 -2.724 593 3HD1 LEU 89 3HD1 LEU 89 4.459 -3.050 -3.403 594 1HD2 LEU 89 1HD2 LEU 89 4.251 -6.592 -1.915 595 2HD2 LEU 89 2HD2 LEU 89 2.946 -5.453 -2.249 596 3HD2 LEU 89 3HD2 LEU 89 3.264 -6.783 -3.369 597 H VAL 90 H VAL 90 1.315 -6.759 -5.477 598 HA VAL 90 HA VAL 90 0.663 -4.799 -7.351 599 HB VAL 90 HB VAL 90 1.445 -6.225 -9.071 600 1HG1 VAL 90 1HG1 VAL 90 1.476 -8.354 -7.880 601 2HG1 VAL 90 2HG1 VAL 90 -0.287 -8.433 -8.015 602 3HG1 VAL 90 3HG1 VAL 90 0.711 -8.495 -9.470 603 1HG2 VAL 90 1HG2 VAL 90 -0.382 -6.219 -10.487 604 2HG2 VAL 90 2HG2 VAL 90 -1.496 -6.667 -9.193 605 3HG2 VAL 90 3HG2 VAL 90 -0.808 -5.037 -9.237 606 H GLY 91 H GLY 91 -0.971 -4.139 -6.134 607 1HA GLY 91 1HA GLY 91 -3.373 -5.705 -5.889 608 2HA GLY 91 2HA GLY 91 -2.448 -5.587 -4.392 609 H LYS 92 H LYS 92 -5.131 -4.479 -5.304 610 HA LYS 92 HA LYS 92 -4.531 -1.774 -4.566 611 1HB LYS 92 1HB LYS 92 -4.007 -1.535 -6.676 612 1HG LYS 92 1HG LYS 92 -7.009 -1.230 -6.961 613 1HD LYS 92 1HD LYS 92 -6.116 0.623 -8.533 614 1HE LYS 92 1HE LYS 92 -7.231 -1.805 -8.858 615 1HZ LYS 92 1HZ LYS 92 -5.993 -2.562 -10.929 616 2HZ LYS 92 2HZ LYS 92 -5.258 -2.923 -9.435 617 3HZ LYS 92 3HZ LYS 92 -4.700 -1.610 -10.368 618 H PHE 93 H PHE 93 -6.074 -0.399 -4.265 619 HA PHE 93 HA PHE 93 -8.811 -1.253 -4.262 620 1HB PHE 93 1HB PHE 93 -7.323 -0.996 -1.846 621 HD1 PHE 93 HD1 PHE 93 -8.566 -3.158 -3.254 622 HD2 PHE 93 HD2 PHE 93 -10.320 -0.365 -0.583 623 HE1 PHE 93 HE1 PHE 93 -10.329 -4.797 -2.702 624 HE2 PHE 93 HE2 PHE 93 -12.072 -1.995 -0.001 625 HZ PHE 93 HZ PHE 93 -12.084 -4.216 -1.067 626 H LYS 94 H LYS 94 -10.096 0.670 -3.503 627 HA LYS 94 HA LYS 94 -9.071 2.912 -4.978 628 1HB LYS 94 1HB LYS 94 -11.201 3.479 -5.454 629 1HG LYS 94 1HG LYS 94 -11.793 3.590 -3.022 630 1HD LYS 94 1HD LYS 94 -13.135 0.931 -3.399 631 1HE LYS 94 1HE LYS 94 -13.741 2.488 -1.527 632 1HZ LYS 94 1HZ LYS 94 -10.950 1.875 -0.655 633 2HZ LYS 94 2HZ LYS 94 -12.166 2.445 0.389 634 3HZ LYS 94 3HZ LYS 94 -11.657 3.398 -0.906 635 H ARG 95 H ARG 95 -9.184 4.945 -4.004 636 HA ARG 95 HA ARG 95 -8.279 4.995 -1.424 637 1HB ARG 95 1HB ARG 95 -8.259 7.314 -1.493 638 1HG ARG 95 1HG ARG 95 -10.294 7.575 -3.650 639 1HD ARG 95 1HD ARG 95 -10.494 9.776 -2.722 640 HE ARG 95 HE ARG 95 -8.647 10.118 -4.044 641 1HH1 ARG 95 1HH1 ARG 95 -7.601 8.639 -1.036 642 2HH1 ARG 95 2HH1 ARG 95 -5.940 9.078 -1.272 643 1HH2 ARG 95 1HH2 ARG 95 -6.498 10.664 -4.349 644 2HH2 ARG 95 2HH2 ARG 95 -5.314 10.260 -3.137 645 H VAL 96 H VAL 96 -9.165 6.773 0.117 646 HA VAL 96 HA VAL 96 -11.791 5.811 1.071 647 HB VAL 96 HB VAL 96 -9.967 7.767 2.501 648 1HG1 VAL 96 1HG1 VAL 96 -12.423 7.696 3.098 649 2HG1 VAL 96 2HG1 VAL 96 -12.185 6.028 3.619 650 3HG1 VAL 96 3HG1 VAL 96 -11.319 7.336 4.424 651 1HG2 VAL 96 1HG2 VAL 96 -9.949 4.806 2.355 652 2HG2 VAL 96 2HG2 VAL 96 -8.637 5.939 2.688 653 3HG2 VAL 96 3HG2 VAL 96 -9.784 5.516 3.960 654 H ASP 97 H ASP 97 -10.187 8.848 0.102 655 HA ASP 97 HA ASP 97 -12.052 10.652 1.022 656 1HB ASP 97 1HB ASP 97 -9.949 11.291 -0.156 657 H ASN 98 H ASN 98 -12.180 8.703 -1.863 658 HA ASN 98 HA ASN 98 -15.016 8.674 -1.589 659 1HB ASN 98 1HB ASN 98 -14.720 10.617 -3.160 660 1HD2 ASN 98 1HD2 ASN 98 -16.456 8.102 -2.463 661 2HD2 ASN 98 2HD2 ASN 98 -17.680 8.152 -3.690 662 H GLY 99 H GLY 99 -13.027 8.022 -4.399 663 1HA GLY 99 1HA GLY 99 -12.232 5.470 -3.602 664 2HA GLY 99 2HA GLY 99 -13.632 5.285 -4.660 665 H LYS 100 H LYS 100 -10.313 5.781 -4.425 666 HA LYS 100 HA LYS 100 -10.235 5.888 -7.351 667 1HB LYS 100 1HB LYS 100 -7.824 6.934 -6.076 668 1HG LYS 100 1HG LYS 100 -9.260 8.223 -4.692 669 1HD LYS 100 1HD LYS 100 -10.611 9.354 -7.104 670 1HE LYS 100 1HE LYS 100 -12.129 9.649 -4.812 671 1HZ LYS 100 1HZ LYS 100 -11.005 11.298 -6.695 672 2HZ LYS 100 2HZ LYS 100 -10.439 11.908 -5.214 673 3HZ LYS 100 3HZ LYS 100 -12.104 11.751 -5.484 674 H GLU 101 H GLU 101 -9.841 3.839 -7.752 675 HA GLU 101 HA GLU 101 -7.823 2.457 -6.182 676 1HB GLU 101 1HB GLU 101 -8.950 0.507 -6.556 677 1HG GLU 101 1HG GLU 101 -9.890 1.549 -9.197 678 H LEU 102 H LEU 102 -5.858 2.605 -6.938 679 HA LEU 102 HA LEU 102 -5.102 1.423 -9.391 680 1HB LEU 102 1HB LEU 102 -5.018 4.424 -9.274 681 HG LEU 102 HG LEU 102 -6.729 3.683 -10.717 682 1HD1 LEU 102 1HD1 LEU 102 -5.874 4.340 -12.962 683 2HD1 LEU 102 2HD1 LEU 102 -5.465 5.468 -11.669 684 3HD1 LEU 102 3HD1 LEU 102 -4.246 4.350 -12.282 685 1HD2 LEU 102 1HD2 LEU 102 -4.865 1.939 -12.293 686 2HD2 LEU 102 2HD2 LEU 102 -5.643 1.309 -10.834 687 3HD2 LEU 102 3HD2 LEU 102 -6.625 1.886 -12.187 688 H ILE 103 H ILE 103 -3.673 0.287 -8.279 689 HA ILE 103 HA ILE 103 -1.238 1.489 -7.397 690 HB ILE 103 HB ILE 103 -3.324 0.575 -5.427 691 1HG1 ILE 103 1HG1 ILE 103 -1.003 2.494 -5.038 692 1HG2 ILE 103 1HG2 ILE 103 -1.838 -1.070 -4.784 693 2HG2 ILE 103 2HG2 ILE 103 -0.414 -0.136 -5.249 694 3HG2 ILE 103 3HG2 ILE 103 -1.300 0.277 -3.780 695 1HD1 ILE 103 1HD1 ILE 103 -2.152 1.873 -3.000 696 2HD1 ILE 103 2HD1 ILE 103 -2.466 3.559 -3.417 697 3HD1 ILE 103 3HD1 ILE 103 -3.697 2.331 -3.720 698 H ALA 104 H ALA 104 0.150 0.039 -8.421 699 HA ALA 104 HA ALA 104 0.158 -2.655 -7.547 700 1HB ALA 104 1HB ALA 104 -0.212 -3.199 -10.241 701 2HB ALA 104 2HB ALA 104 -1.264 -3.584 -8.875 702 3HB ALA 104 3HB ALA 104 -1.507 -2.091 -9.778 703 H VAL 105 H VAL 105 2.300 -2.590 -7.221 704 HA VAL 105 HA VAL 105 3.933 -3.269 -9.411 705 HB VAL 105 HB VAL 105 3.779 -0.702 -9.621 706 1HG1 VAL 105 1HG1 VAL 105 4.108 -0.737 -6.993 707 2HG1 VAL 105 2HG1 VAL 105 5.782 -0.446 -7.500 708 3HG1 VAL 105 3HG1 VAL 105 4.502 0.658 -8.012 709 1HG2 VAL 105 1HG2 VAL 105 6.479 -1.989 -9.264 710 2HG2 VAL 105 2HG2 VAL 105 5.533 -1.928 -10.750 711 3HG2 VAL 105 3HG2 VAL 105 6.196 -0.444 -10.066 712 H ARG 106 H ARG 106 6.205 -3.761 -8.549 713 HA ARG 106 HA ARG 106 5.986 -3.632 -5.658 714 1HB ARG 106 1HB ARG 106 6.880 -5.971 -6.513 715 1HG ARG 106 1HG ARG 106 8.393 -4.504 -4.415 716 1HD ARG 106 1HD ARG 106 6.954 -7.096 -4.123 717 HE ARG 106 HE ARG 106 9.376 -6.323 -2.638 718 1HH1 ARG 106 1HH1 ARG 106 5.967 -6.836 -2.331 719 2HH1 ARG 106 2HH1 ARG 106 5.815 -5.894 -0.839 720 1HH2 ARG 106 1HH2 ARG 106 9.172 -4.981 -0.677 721 2HH2 ARG 106 2HH2 ARG 106 7.531 -4.701 -0.034 722 H GLU 107 H GLU 107 7.777 -3.181 -4.677 723 HA GLU 107 HA GLU 107 9.517 -1.239 -5.912 724 1HB GLU 107 1HB GLU 107 10.237 -1.339 -3.308 725 1HG GLU 107 1HG GLU 107 7.347 -2.117 -3.358 726 H ILE 108 H ILE 108 10.812 -2.573 -7.078 727 HA ILE 108 HA ILE 108 12.839 -4.042 -5.799 728 HB ILE 108 HB ILE 108 10.922 -5.622 -7.526 729 1HG1 ILE 108 1HG1 ILE 108 11.379 -5.569 -4.561 730 1HG2 ILE 108 1HG2 ILE 108 13.502 -5.913 -7.601 731 2HG2 ILE 108 2HG2 ILE 108 13.242 -6.814 -6.108 732 3HG2 ILE 108 3HG2 ILE 108 12.440 -7.321 -7.595 733 1HD1 ILE 108 1HD1 ILE 108 11.793 -7.818 -4.649 734 2HD1 ILE 108 2HD1 ILE 108 10.027 -7.815 -4.625 735 3HD1 ILE 108 3HD1 ILE 108 10.889 -8.046 -6.147 736 H SER 109 H SER 109 14.656 -3.907 -7.166 737 HA SER 109 HA SER 109 14.443 -4.353 -9.946 738 1HB SER 109 1HB SER 109 13.548 -2.007 -9.926 739 HG SER 109 HG SER 109 15.189 -1.196 -11.462 740 H GLY 110 H GLY 110 16.187 -5.696 -9.844 741 1HA GLY 110 1HA GLY 110 18.366 -6.413 -9.480 742 2HA GLY 110 2HA GLY 110 18.854 -4.712 -9.425 743 H ASN 111 H ASN 111 18.805 -3.608 -7.559 744 HA ASN 111 HA ASN 111 17.211 -4.545 -5.476 745 1HB ASN 111 1HB ASN 111 19.230 -5.781 -4.775 746 1HD2 ASN 111 1HD2 ASN 111 20.479 -3.462 -2.871 747 2HD2 ASN 111 2HD2 ASN 111 19.415 -3.582 -1.514 748 H GLU 112 H GLU 112 16.155 -2.817 -5.777 749 HA GLU 112 HA GLU 112 16.696 -0.549 -4.271 750 1HB GLU 112 1HB GLU 112 16.736 1.202 -5.934 751 1HG GLU 112 1HG GLU 112 16.590 -0.966 -8.005 752 H LEU 113 H LEU 113 14.601 0.554 -3.984 753 HA LEU 113 HA LEU 113 12.562 -1.268 -5.060 754 1HB LEU 113 1HB LEU 113 13.136 -0.131 -2.402 755 HG LEU 113 HG LEU 113 11.731 -2.551 -3.482 756 1HD1 LEU 113 1HD1 LEU 113 13.533 -3.758 -3.122 757 2HD1 LEU 113 2HD1 LEU 113 14.360 -2.194 -3.206 758 3HD1 LEU 113 3HD1 LEU 113 13.952 -2.891 -1.636 759 1HD2 LEU 113 1HD2 LEU 113 12.176 -2.706 -0.680 760 2HD2 LEU 113 2HD2 LEU 113 11.111 -1.361 -1.090 761 3HD2 LEU 113 3HD2 LEU 113 10.709 -2.995 -1.620 762 H ILE 114 H ILE 114 10.363 -0.427 -5.286 763 HA ILE 114 HA ILE 114 10.160 2.387 -6.093 764 HB ILE 114 HB ILE 114 9.152 0.267 -7.937 765 1HG1 ILE 114 1HG1 ILE 114 11.583 -0.158 -7.564 766 1HG2 ILE 114 1HG2 ILE 114 10.244 2.867 -8.869 767 2HG2 ILE 114 2HG2 ILE 114 8.840 1.958 -9.426 768 3HG2 ILE 114 3HG2 ILE 114 8.750 2.890 -7.933 769 1HD1 ILE 114 1HD1 ILE 114 13.216 1.350 -8.615 770 2HD1 ILE 114 2HD1 ILE 114 11.943 2.546 -8.862 771 3HD1 ILE 114 3HD1 ILE 114 12.424 2.099 -7.216 772 H GLN 115 H GLN 115 8.240 3.091 -5.469 773 HA GLN 115 HA GLN 115 6.113 1.085 -5.322 774 1HB GLN 115 1HB GLN 115 6.540 3.387 -3.417 775 1HG GLN 115 1HG GLN 115 6.909 0.389 -3.065 776 1HE2 GLN 115 1HE2 GLN 115 8.623 2.412 -1.085 777 2HE2 GLN 115 2HE2 GLN 115 7.645 2.322 0.337 778 H THR 116 H THR 116 5.035 1.520 -7.058 779 HA THR 116 HA THR 116 4.443 4.234 -7.800 780 HB THR 116 HB THR 116 3.917 1.634 -9.245 781 HG1 THR 116 HG1 THR 116 6.139 2.788 -8.912 782 1HG2 THR 116 1HG2 THR 116 3.531 4.474 -10.121 783 2HG2 THR 116 2HG2 THR 116 2.277 3.251 -9.913 784 3HG2 THR 116 3HG2 THR 116 3.474 3.080 -11.197 785 H TYR 117 H TYR 117 2.718 5.000 -6.708 786 HA TYR 117 HA TYR 117 0.361 3.253 -6.441 787 1HB TYR 117 1HB TYR 117 0.674 5.957 -5.095 788 HD1 TYR 117 HD1 TYR 117 0.166 2.923 -3.196 789 HD2 TYR 117 HD2 TYR 117 3.110 5.808 -4.361 790 HE1 TYR 117 HE1 TYR 117 1.615 2.207 -1.341 791 HE2 TYR 117 HE2 TYR 117 4.534 5.076 -2.524 792 HH TYR 117 HH TYR 117 4.276 2.312 -0.918 793 H THR 118 H THR 118 -1.622 4.157 -7.143 794 HA THR 118 HA THR 118 -1.537 6.639 -8.716 795 HB THR 118 HB THR 118 -2.881 4.185 -9.838 796 HG1 THR 118 HG1 THR 118 -0.821 3.858 -10.976 797 1HG2 THR 118 1HG2 THR 118 -2.116 5.374 -11.964 798 2HG2 THR 118 2HG2 THR 118 -1.571 6.718 -10.939 799 3HG2 THR 118 3HG2 THR 118 -3.288 6.270 -10.995 800 H TYR 119 H TYR 119 -3.983 7.232 -9.363 801 HA TYR 119 HA TYR 119 -6.077 6.061 -7.835 802 1HB TYR 119 1HB TYR 119 -6.426 7.966 -6.253 803 HD1 TYR 119 HD1 TYR 119 -6.212 10.290 -6.779 804 HD2 TYR 119 HD2 TYR 119 -2.723 7.865 -6.395 805 HE1 TYR 119 HE1 TYR 119 -4.801 12.305 -6.860 806 HE2 TYR 119 HE2 TYR 119 -1.312 9.891 -6.485 807 HH TYR 119 HH TYR 119 -1.332 12.098 -6.296 808 H GLU 120 H GLU 120 -7.480 6.297 -9.381 809 HA GLU 120 HA GLU 120 -8.810 7.233 -10.996 810 1HB GLU 120 1HB GLU 120 -7.562 9.900 -10.293 811 1HG GLU 120 1HG GLU 120 -10.208 8.814 -9.365 812 H GLY 121 H GLY 121 -5.843 9.121 -10.846 813 1HA GLY 121 1HA GLY 121 -4.379 7.430 -12.284 814 2HA GLY 121 2HA GLY 121 -4.919 8.587 -13.511 815 H VAL 122 H VAL 122 -2.843 7.968 -10.874 816 HA VAL 122 HA VAL 122 -1.038 9.883 -11.785 817 HB VAL 122 HB VAL 122 -1.884 10.417 -8.919 818 1HG1 VAL 122 1HG1 VAL 122 0.302 11.467 -10.676 819 2HG1 VAL 122 2HG1 VAL 122 -0.229 12.310 -9.218 820 3HG1 VAL 122 3HG1 VAL 122 0.426 10.674 -9.099 821 1HG2 VAL 122 1HG2 VAL 122 -3.522 11.570 -10.156 822 2HG2 VAL 122 2HG2 VAL 122 -2.291 12.766 -9.732 823 3HG2 VAL 122 3HG2 VAL 122 -2.350 12.098 -11.366 824 H GLU 123 H GLU 123 0.603 8.515 -11.810 825 HA GLU 123 HA GLU 123 1.001 7.001 -9.353 826 1HB GLU 123 1HB GLU 123 2.413 5.486 -10.500 827 1HG GLU 123 1HG GLU 123 3.436 7.071 -12.133 828 H ALA 124 H ALA 124 3.006 7.086 -8.339 829 HA ALA 124 HA ALA 124 5.084 8.826 -9.253 830 1HB ALA 124 1HB ALA 124 4.310 10.757 -8.444 831 2HB ALA 124 2HB ALA 124 2.921 9.951 -7.706 832 3HB ALA 124 3HB ALA 124 4.448 10.074 -6.824 833 H LYS 125 H LYS 125 6.919 8.207 -8.408 834 HA LYS 125 HA LYS 125 7.057 6.728 -5.889 835 1HB LYS 125 1HB LYS 125 8.274 5.118 -7.931 836 1HG LYS 125 1HG LYS 125 6.303 4.326 -9.140 837 1HD LYS 125 1HD LYS 125 6.635 7.280 -9.549 838 1HE LYS 125 1HE LYS 125 4.741 6.395 -10.695 839 1HZ LYS 125 1HZ LYS 125 5.321 4.036 -10.769 840 2HZ LYS 125 2HZ LYS 125 6.628 4.361 -11.807 841 3HZ LYS 125 3HZ LYS 125 5.038 4.607 -12.349 842 H ARG 126 H ARG 126 9.113 6.148 -5.290 843 HA ARG 126 HA ARG 126 11.347 7.755 -6.259 844 1HB ARG 126 1HB ARG 126 11.069 9.208 -4.356 845 1HG ARG 126 1HG ARG 126 9.978 8.305 -2.574 846 1HD ARG 126 1HD ARG 126 8.130 6.699 -4.307 847 HE ARG 126 HE ARG 126 8.317 6.919 -1.412 848 1HH1 ARG 126 1HH1 ARG 126 6.790 5.590 -4.233 849 2HH1 ARG 126 2HH1 ARG 126 5.518 4.818 -3.359 850 1HH2 ARG 126 1HH2 ARG 126 6.625 5.918 -0.195 851 2HH2 ARG 126 2HH2 ARG 126 5.388 4.984 -1.071 852 H ILE 127 H ILE 127 12.604 5.680 -5.857 853 HA ILE 127 HA ILE 127 13.278 5.526 -3.051 854 HB ILE 127 HB ILE 127 12.535 2.900 -4.143 855 1HG1 ILE 127 1HG1 ILE 127 10.416 4.896 -3.243 856 1HG2 ILE 127 1HG2 ILE 127 11.554 3.040 -1.660 857 2HG2 ILE 127 2HG2 ILE 127 13.183 2.524 -2.096 858 3HG2 ILE 127 3HG2 ILE 127 12.897 4.194 -1.592 859 1HD1 ILE 127 1HD1 ILE 127 10.090 1.932 -3.709 860 2HD1 ILE 127 2HD1 ILE 127 10.124 2.707 -2.125 861 3HD1 ILE 127 3HD1 ILE 127 8.835 3.089 -3.266 862 H PHE 128 H PHE 128 15.197 4.734 -2.628 863 HA PHE 128 HA PHE 128 16.137 2.650 -4.273 864 1HB PHE 128 1HB PHE 128 18.117 4.880 -3.763 865 HD1 PHE 128 HD1 PHE 128 16.757 6.684 -4.720 866 HD2 PHE 128 HD2 PHE 128 17.563 3.122 -6.896 867 HE1 PHE 128 HE1 PHE 128 15.913 7.763 -6.764 868 HE2 PHE 128 HE2 PHE 128 16.749 4.193 -8.957 869 HZ PHE 128 HZ PHE 128 15.927 6.518 -8.896 870 H LYS 129 H LYS 129 16.187 1.269 -2.990 871 HA LYS 129 HA LYS 129 16.260 1.891 -0.179 872 1HB LYS 129 1HB LYS 129 14.932 -0.219 -1.784 873 1HG LYS 129 1HG LYS 129 14.091 1.973 0.021 874 1HD LYS 129 1HD LYS 129 12.479 -0.407 -0.783 875 1HE LYS 129 1HE LYS 129 11.711 2.153 0.558 876 1HZ LYS 129 1HZ LYS 129 9.791 0.084 -0.213 877 2HZ LYS 129 2HZ LYS 129 9.652 1.331 0.927 878 3HZ LYS 129 3HZ LYS 129 10.589 -0.032 1.279 879 H LYS 130 H LYS 130 16.391 0.129 1.253 880 HA LYS 130 HA LYS 130 17.483 -1.345 2.503 881 1HB LYS 130 1HB LYS 130 16.684 -2.540 0.432 882 1HG LYS 130 1HG LYS 130 18.981 -3.754 1.932 883 1HD LYS 130 1HD LYS 130 17.330 -4.696 -0.236 884 1HE LYS 130 1HE LYS 130 15.954 -5.376 1.755 885 1HZ LYS 130 1HZ LYS 130 17.305 -6.104 3.421 886 2HZ LYS 130 2HZ LYS 130 18.485 -6.716 2.369 887 3HZ LYS 130 3HZ LYS 130 17.065 -7.597 2.651 888 H GLU 131 H GLU 131 19.081 -0.497 3.613 889 HA GLU 131 HA GLU 131 21.729 -1.193 3.104 890 1HB GLU 131 1HB GLU 131 21.610 0.594 1.379 891 1HG GLU 131 1HG GLU 131 23.339 1.514 3.657 Start of MODEL 6 1 1H ALA 1 1H ALA 1 13.411 -13.898 6.956 2 2H ALA 1 2H ALA 1 12.473 -13.167 8.160 3 3H ALA 1 3H ALA 1 14.046 -12.620 7.865 4 HA ALA 1 HA ALA 1 11.988 -11.348 6.929 5 1HB ALA 1 1HB ALA 1 14.679 -11.319 6.456 6 2HB ALA 1 2HB ALA 1 14.020 -11.563 4.838 7 3HB ALA 1 3HB ALA 1 13.516 -10.170 5.795 8 H PHE 2 H PHE 2 10.383 -11.445 5.481 9 HA PHE 2 HA PHE 2 9.922 -13.895 4.064 10 1HB PHE 2 1HB PHE 2 8.048 -12.670 5.055 11 HD1 PHE 2 HD1 PHE 2 8.184 -14.938 3.288 12 HD2 PHE 2 HD2 PHE 2 6.645 -11.040 2.549 13 HE1 PHE 2 HE1 PHE 2 6.699 -15.857 1.556 14 HE2 PHE 2 HE2 PHE 2 5.157 -11.953 0.816 15 HZ PHE 2 HZ PHE 2 5.182 -14.364 0.317 16 H ASP 3 H ASP 3 11.011 -10.667 3.268 17 HA ASP 3 HA ASP 3 11.845 -11.612 0.639 18 1HB ASP 3 1HB ASP 3 10.089 -9.194 1.087 19 H GLY 4 H GLY 4 11.704 -8.901 2.920 20 1HA GLY 4 1HA GLY 4 14.400 -8.608 3.300 21 2HA GLY 4 2HA GLY 4 14.050 -7.683 1.837 22 H THR 5 H THR 5 14.693 -5.802 2.843 23 HA THR 5 HA THR 5 12.618 -4.304 3.964 24 HB THR 5 HB THR 5 13.416 -5.218 6.123 25 HG1 THR 5 HG1 THR 5 13.116 -2.740 5.370 26 1HG2 THR 5 1HG2 THR 5 15.921 -5.213 4.974 27 2HG2 THR 5 2HG2 THR 5 15.593 -5.409 6.695 28 3HG2 THR 5 3HG2 THR 5 15.991 -3.817 6.049 29 H TRP 6 H TRP 6 13.012 -2.235 3.365 30 HA TRP 6 HA TRP 6 15.591 -1.475 2.443 31 1HB TRP 6 1HB TRP 6 13.550 -1.159 0.430 32 HD1 TRP 6 HD1 TRP 6 15.272 -4.162 -0.605 33 HE1 TRP 6 HE1 TRP 6 13.725 -6.222 -0.561 34 HE3 TRP 6 HE3 TRP 6 11.492 -2.263 2.242 35 HZ2 TRP 6 HZ2 TRP 6 11.205 -6.911 0.472 36 HZ3 TRP 6 HZ3 TRP 6 9.535 -3.680 2.681 37 HH2 TRP 6 HH2 TRP 6 9.403 -5.949 1.827 38 H LYS 7 H LYS 7 15.324 1.068 2.203 39 HA LYS 7 HA LYS 7 12.663 1.877 2.910 40 1HB LYS 7 1HB LYS 7 13.886 2.729 5.168 41 1HG LYS 7 1HG LYS 7 14.795 0.760 6.239 42 1HD LYS 7 1HD LYS 7 16.272 1.427 3.686 43 1HE LYS 7 1HE LYS 7 18.285 0.767 4.930 44 1HZ LYS 7 1HZ LYS 7 16.300 -1.438 4.885 45 2HZ LYS 7 2HZ LYS 7 17.982 -1.591 4.810 46 3HZ LYS 7 3HZ LYS 7 17.140 -0.882 3.527 47 H VAL 8 H VAL 8 12.267 3.900 2.552 48 HA VAL 8 HA VAL 8 13.936 6.051 3.108 49 HB VAL 8 HB VAL 8 13.953 6.652 0.490 50 1HG1 VAL 8 1HG1 VAL 8 15.895 6.514 2.225 51 2HG1 VAL 8 2HG1 VAL 8 16.229 4.954 1.453 52 3HG1 VAL 8 3HG1 VAL 8 16.236 6.446 0.483 53 1HG2 VAL 8 1HG2 VAL 8 14.850 3.836 0.277 54 2HG2 VAL 8 2HG2 VAL 8 13.114 4.157 0.317 55 3HG2 VAL 8 3HG2 VAL 8 14.104 4.923 -0.929 56 H ASP 9 H ASP 9 11.850 5.062 0.538 57 HA ASP 9 HA ASP 9 10.152 7.283 1.262 58 1HB ASP 9 1HB ASP 9 11.579 6.783 -1.310 59 H ARG 10 H ARG 10 8.922 7.125 -1.263 60 HA ARG 10 HA ARG 10 7.468 4.747 -1.713 61 1HB ARG 10 1HB ARG 10 5.297 5.531 -0.906 62 1HG ARG 10 1HG ARG 10 6.771 7.738 0.486 63 1HD ARG 10 1HD ARG 10 4.507 8.577 0.946 64 HE ARG 10 HE ARG 10 5.591 6.323 2.202 65 1HH1 ARG 10 1HH1 ARG 10 2.534 7.953 1.858 66 2HH1 ARG 10 2HH1 ARG 10 1.932 7.427 3.395 67 1HH2 ARG 10 1HH2 ARG 10 4.811 5.626 4.230 68 2HH2 ARG 10 2HH2 ARG 10 3.227 6.105 4.743 69 H ASN 11 H ASN 11 5.211 6.269 -2.926 70 HA ASN 11 HA ASN 11 6.877 7.432 -4.994 71 1HB ASN 11 1HB ASN 11 5.278 6.538 -6.270 72 1HD2 ASN 11 1HD2 ASN 11 3.759 8.802 -4.017 73 2HD2 ASN 11 2HD2 ASN 11 2.692 9.516 -5.202 74 H GLU 12 H GLU 12 6.103 9.490 -5.949 75 HA GLU 12 HA GLU 12 5.611 11.379 -3.774 76 1HB GLU 12 1HB GLU 12 6.727 11.827 -6.514 77 1HG GLU 12 1HG GLU 12 8.016 12.485 -3.916 78 H ASN 13 H ASN 13 3.857 12.126 -3.565 79 HA ASN 13 HA ASN 13 1.764 12.202 -5.475 80 1HB ASN 13 1HB ASN 13 2.278 13.319 -2.708 81 1HD2 ASN 13 1HD2 ASN 13 0.322 11.313 -4.726 82 2HD2 ASN 13 2HD2 ASN 13 -0.270 10.249 -3.498 83 H TYR 14 H TYR 14 4.098 13.764 -3.809 84 HA TYR 14 HA TYR 14 3.944 16.360 -4.487 85 1HB TYR 14 1HB TYR 14 5.450 15.659 -2.770 86 HD1 TYR 14 HD1 TYR 14 8.452 14.878 -3.658 87 HD2 TYR 14 HD2 TYR 14 5.692 17.959 -4.650 88 HE1 TYR 14 HE1 TYR 14 10.323 16.366 -4.242 89 HE2 TYR 14 HE2 TYR 14 7.540 19.443 -5.256 90 HH TYR 14 HH TYR 14 10.897 18.315 -5.208 91 H GLU 15 H GLU 15 4.435 13.516 -6.295 92 HA GLU 15 HA GLU 15 5.583 15.122 -8.468 93 1HB GLU 15 1HB GLU 15 6.856 13.360 -9.235 94 1HG GLU 15 1HG GLU 15 5.510 11.335 -7.503 95 H LYS 16 H LYS 16 3.163 12.959 -7.459 96 HA LYS 16 HA LYS 16 2.254 12.487 -10.150 97 1HB LYS 16 1HB LYS 16 0.430 12.279 -7.753 98 1HG LYS 16 1HG LYS 16 2.076 9.924 -8.203 99 1HD LYS 16 1HD LYS 16 1.789 10.765 -5.582 100 1HE LYS 16 1HE LYS 16 0.383 8.817 -7.333 101 1HZ LYS 16 1HZ LYS 16 -0.881 8.035 -5.557 102 2HZ LYS 16 2HZ LYS 16 -1.070 9.722 -5.512 103 3HZ LYS 16 3HZ LYS 16 -0.024 8.952 -4.418 104 H PHE 17 H PHE 17 0.764 13.945 -7.461 105 HA PHE 17 HA PHE 17 -1.073 15.410 -9.078 106 1HB PHE 17 1HB PHE 17 0.003 16.283 -6.391 107 HD1 PHE 17 HD1 PHE 17 -3.302 15.485 -5.915 108 HD2 PHE 17 HD2 PHE 17 0.471 13.516 -6.431 109 HE1 PHE 17 HE1 PHE 17 -4.191 13.448 -4.835 110 HE2 PHE 17 HE2 PHE 17 -0.475 11.555 -5.446 111 HZ PHE 17 HZ PHE 17 -2.694 11.468 -4.587 112 H MET 18 H MET 18 2.115 15.642 -8.021 113 HA MET 18 HA MET 18 2.484 18.363 -8.567 114 1HB MET 18 1HB MET 18 4.192 17.374 -7.343 115 1HG MET 18 1HG MET 18 5.053 17.419 -10.253 116 1HE MET 18 1HE MET 18 7.801 17.518 -10.946 117 2HE MET 18 2HE MET 18 7.649 18.937 -9.909 118 3HE MET 18 3HE MET 18 8.966 17.793 -9.651 119 H GLU 19 H GLU 19 2.605 15.467 -10.460 120 HA GLU 19 HA GLU 19 3.402 17.097 -12.708 121 1HB GLU 19 1HB GLU 19 3.204 14.117 -12.365 122 1HG GLU 19 1HG GLU 19 5.448 16.079 -12.258 123 H LYS 20 H LYS 20 0.535 16.213 -11.302 124 HA LYS 20 HA LYS 20 -0.773 16.545 -13.883 125 1HB LYS 20 1HB LYS 20 -2.122 14.424 -13.502 126 1HG LYS 20 1HG LYS 20 0.106 14.057 -11.519 127 1HD LYS 20 1HD LYS 20 -0.359 11.653 -11.563 128 1HE LYS 20 1HE LYS 20 0.478 12.740 -14.247 129 1HZ LYS 20 1HZ LYS 20 0.050 10.389 -14.382 130 2HZ LYS 20 2HZ LYS 20 0.973 10.093 -12.996 131 3HZ LYS 20 3HZ LYS 20 1.722 10.652 -14.406 132 H MET 21 H MET 21 -1.585 15.404 -10.615 133 HA MET 21 HA MET 21 -4.156 15.938 -10.343 134 1HB MET 21 1HB MET 21 -2.781 15.251 -8.489 135 1HG MET 21 1HG MET 21 -3.582 16.547 -6.681 136 1HE MET 21 1HE MET 21 -5.845 16.677 -5.585 137 2HE MET 21 2HE MET 21 -6.695 17.775 -6.671 138 3HE MET 21 3HE MET 21 -7.382 16.193 -6.302 139 H GLY 22 H GLY 22 -1.764 18.370 -9.503 140 1HA GLY 22 1HA GLY 22 -3.306 20.470 -10.847 141 2HA GLY 22 2HA GLY 22 -3.410 20.538 -9.092 142 H ILE 23 H ILE 23 -0.861 19.838 -8.379 143 HA ILE 23 HA ILE 23 1.183 20.714 -7.988 144 HB ILE 23 HB ILE 23 2.550 20.721 -9.762 145 1HG1 ILE 23 1HG1 ILE 23 0.649 22.544 -11.266 146 1HG2 ILE 23 1HG2 ILE 23 1.003 18.943 -10.320 147 2HG2 ILE 23 2HG2 ILE 23 -0.024 20.081 -11.199 148 3HG2 ILE 23 3HG2 ILE 23 1.597 19.717 -11.794 149 1HD1 ILE 23 1HD1 ILE 23 3.184 21.295 -12.029 150 2HD1 ILE 23 2HD1 ILE 23 1.899 21.975 -13.029 151 3HD1 ILE 23 3HD1 ILE 23 3.099 23.038 -12.291 152 H ASN 24 H ASN 24 1.783 22.432 -6.907 153 HA ASN 24 HA ASN 24 1.816 25.072 -7.635 154 1HB ASN 24 1HB ASN 24 -0.689 24.830 -7.768 155 1HD2 ASN 24 1HD2 ASN 24 1.749 26.657 -6.688 156 2HD2 ASN 24 2HD2 ASN 24 0.911 28.131 -6.360 157 H VAL 25 H VAL 25 0.340 25.404 -4.727 158 HA VAL 25 HA VAL 25 2.849 25.432 -3.307 159 HB VAL 25 HB VAL 25 1.510 26.274 -1.401 160 1HG1 VAL 25 1HG1 VAL 25 1.081 28.417 -2.310 161 2HG1 VAL 25 2HG1 VAL 25 2.413 27.741 -3.248 162 3HG1 VAL 25 3HG1 VAL 25 0.781 27.755 -3.917 163 1HG2 VAL 25 1HG2 VAL 25 -0.559 25.018 -1.923 164 2HG2 VAL 25 2HG2 VAL 25 -0.848 26.736 -1.643 165 3HG2 VAL 25 3HG2 VAL 25 -0.838 26.099 -3.288 166 H VAL 26 H VAL 26 2.312 22.865 -4.119 167 HA VAL 26 HA VAL 26 2.326 20.720 -3.362 168 HB VAL 26 HB VAL 26 2.338 21.892 -0.575 169 1HG1 VAL 26 1HG1 VAL 26 1.840 19.468 -0.763 170 2HG1 VAL 26 2HG1 VAL 26 3.391 19.249 -1.576 171 3HG1 VAL 26 3HG1 VAL 26 3.342 19.811 0.096 172 1HG2 VAL 26 1HG2 VAL 26 4.865 21.450 -0.837 173 2HG2 VAL 26 2HG2 VAL 26 4.537 21.501 -2.569 174 3HG2 VAL 26 3HG2 VAL 26 4.182 22.905 -1.563 175 H LYS 27 H LYS 27 -0.020 21.272 -4.241 176 HA LYS 27 HA LYS 27 -2.236 21.475 -2.615 177 1HB LYS 27 1HB LYS 27 -1.943 19.851 -5.149 178 1HG LYS 27 1HG LYS 27 -1.450 22.245 -5.453 179 1HD LYS 27 1HD LYS 27 -4.271 22.606 -4.446 180 1HE LYS 27 1HE LYS 27 -3.903 24.989 -4.871 181 1HZ LYS 27 1HZ LYS 27 -3.328 23.692 -7.443 182 2HZ LYS 27 2HZ LYS 27 -4.425 24.928 -7.087 183 3HZ LYS 27 3HZ LYS 27 -4.776 23.334 -6.644 184 H ARG 28 H ARG 28 -0.551 18.548 -3.635 185 HA ARG 28 HA ARG 28 -1.754 17.125 -1.351 186 1HB ARG 28 1HB ARG 28 -2.752 15.957 -3.091 187 1HG ARG 28 1HG ARG 28 -1.077 14.007 -3.812 188 1HD ARG 28 1HD ARG 28 -1.677 12.751 -1.962 189 HE ARG 28 HE ARG 28 -3.827 13.241 -2.648 190 1HH1 ARG 28 1HH1 ARG 28 -2.612 15.818 -0.636 191 2HH1 ARG 28 2HH1 ARG 28 -4.140 16.625 -0.525 192 1HH2 ARG 28 1HH2 ARG 28 -5.841 14.302 -2.505 193 2HH2 ARG 28 2HH2 ARG 28 -5.975 15.763 -1.586 194 H LYS 29 H LYS 29 0.794 16.826 -3.787 195 HA LYS 29 HA LYS 29 2.673 15.518 -3.540 196 1HB LYS 29 1HB LYS 29 3.641 17.795 -1.939 197 1HG LYS 29 1HG LYS 29 2.179 18.812 -3.668 198 1HD LYS 29 1HD LYS 29 3.263 18.935 -5.936 199 1HE LYS 29 1HE LYS 29 2.177 16.716 -6.620 200 1HZ LYS 29 1HZ LYS 29 -0.076 17.788 -5.673 201 2HZ LYS 29 2HZ LYS 29 0.732 18.386 -7.034 202 3HZ LYS 29 3HZ LYS 29 0.958 19.119 -5.526 203 H LEU 30 H LEU 30 4.381 16.621 -1.259 204 HA LEU 30 HA LEU 30 5.084 15.878 0.813 205 1HB LEU 30 1HB LEU 30 2.415 14.430 0.849 206 HG LEU 30 HG LEU 30 2.050 16.833 1.093 207 1HD1 LEU 30 1HD1 LEU 30 1.098 14.889 2.722 208 2HD1 LEU 30 2HD1 LEU 30 1.757 16.027 3.897 209 3HD1 LEU 30 3HD1 LEU 30 0.546 16.564 2.733 210 1HD2 LEU 30 1HD2 LEU 30 3.039 18.087 2.927 211 2HD2 LEU 30 2HD2 LEU 30 3.965 16.669 3.418 212 3HD2 LEU 30 3HD2 LEU 30 4.296 17.445 1.870 213 H GLY 31 H GLY 31 4.449 14.690 -1.978 214 1HA GLY 31 1HA GLY 31 4.627 12.016 -2.085 215 2HA GLY 31 2HA GLY 31 5.272 13.105 -3.264 216 H ALA 32 H ALA 32 7.059 14.151 -0.976 217 HA ALA 32 HA ALA 32 8.789 12.024 -0.234 218 1HB ALA 32 1HB ALA 32 10.288 13.657 -2.159 219 2HB ALA 32 2HB ALA 32 10.360 11.925 -1.833 220 3HB ALA 32 3HB ALA 32 9.085 12.578 -2.861 221 H HIS 33 H HIS 33 9.655 12.701 1.627 222 HA HIS 33 HA HIS 33 11.400 14.779 1.974 223 1HB HIS 33 1HB HIS 33 10.155 16.589 2.996 224 HD1 HIS 33 HD1 HIS 33 7.446 14.224 1.736 225 HD2 HIS 33 HD2 HIS 33 8.091 17.133 4.631 226 HE1 HIS 33 HE1 HIS 33 5.317 14.331 3.069 227 HE2 HIS 33 HE2 HIS 33 5.698 16.161 4.756 228 H ALA 34 H ALA 34 11.035 12.150 3.067 229 HA ALA 34 HA ALA 34 11.628 12.686 5.784 230 1HB ALA 34 1HB ALA 34 9.452 11.146 6.402 231 2HB ALA 34 2HB ALA 34 9.571 12.894 6.605 232 3HB ALA 34 3HB ALA 34 8.826 12.225 5.154 233 H ASN 35 H ASN 35 12.461 10.967 6.907 234 HA ASN 35 HA ASN 35 13.294 8.677 5.405 235 1HB ASN 35 1HB ASN 35 13.545 9.291 8.361 236 1HD2 ASN 35 1HD2 ASN 35 14.785 10.974 8.696 237 2HD2 ASN 35 2HD2 ASN 35 16.089 11.503 7.693 238 H LEU 36 H LEU 36 12.785 6.413 5.912 239 HA LEU 36 HA LEU 36 10.700 5.718 7.693 240 1HB LEU 36 1HB LEU 36 9.064 5.091 5.909 241 HG LEU 36 HG LEU 36 11.005 6.616 4.172 242 1HD1 LEU 36 1HD1 LEU 36 11.464 4.491 3.686 243 2HD1 LEU 36 2HD1 LEU 36 9.898 3.892 4.252 244 3HD1 LEU 36 3HD1 LEU 36 10.032 4.628 2.653 245 1HD2 LEU 36 1HD2 LEU 36 8.950 6.395 2.489 246 2HD2 LEU 36 2HD2 LEU 36 8.024 6.507 3.986 247 3HD2 LEU 36 3HD2 LEU 36 9.136 7.799 3.541 248 H LYS 37 H LYS 37 10.481 3.349 7.801 249 HA LYS 37 HA LYS 37 12.436 2.233 5.956 250 1HB LYS 37 1HB LYS 37 13.127 0.605 7.538 251 1HG LYS 37 1HG LYS 37 10.862 1.607 9.237 252 1HD LYS 37 1HD LYS 37 13.353 0.062 9.944 253 1HE LYS 37 1HE LYS 37 10.830 0.366 11.569 254 1HZ LYS 37 1HZ LYS 37 13.292 -1.125 12.273 255 2HZ LYS 37 2HZ LYS 37 11.947 -0.829 13.255 256 3HZ LYS 37 3HZ LYS 37 12.973 0.444 12.822 257 H LEU 38 H LEU 38 12.049 0.025 5.028 258 HA LEU 38 HA LEU 38 9.203 -0.678 5.329 259 1HB LEU 38 1HB LEU 38 10.102 0.479 3.122 260 HG LEU 38 HG LEU 38 8.072 -1.596 3.522 261 1HD1 LEU 38 1HD1 LEU 38 7.950 1.029 3.480 262 2HD1 LEU 38 2HD1 LEU 38 7.739 0.762 1.749 263 3HD1 LEU 38 3HD1 LEU 38 6.609 0.044 2.897 264 1HD2 LEU 38 1HD2 LEU 38 7.781 -1.237 0.836 265 2HD2 LEU 38 2HD2 LEU 38 9.517 -1.487 1.016 266 3HD2 LEU 38 3HD2 LEU 38 8.385 -2.693 1.626 267 H THR 39 H THR 39 8.938 -2.665 6.005 268 HA THR 39 HA THR 39 10.790 -4.772 5.161 269 HB THR 39 HB THR 39 9.735 -4.290 7.964 270 HG1 THR 39 HG1 THR 39 11.775 -3.630 8.432 271 1HG2 THR 39 1HG2 THR 39 11.792 -6.365 7.116 272 2HG2 THR 39 2HG2 THR 39 10.067 -6.733 7.159 273 3HG2 THR 39 3HG2 THR 39 10.906 -6.266 8.638 274 H ILE 40 H ILE 40 9.401 -7.115 5.623 275 HA ILE 40 HA ILE 40 6.537 -6.712 5.828 276 HB ILE 40 HB ILE 40 5.951 -7.403 3.630 277 1HG1 ILE 40 1HG1 ILE 40 7.625 -9.058 3.288 278 1HG2 ILE 40 1HG2 ILE 40 6.784 -5.703 2.113 279 2HG2 ILE 40 2HG2 ILE 40 6.443 -5.031 3.708 280 3HG2 ILE 40 3HG2 ILE 40 8.108 -5.359 3.227 281 1HD1 ILE 40 1HD1 ILE 40 9.507 -6.933 3.552 282 2HD1 ILE 40 2HD1 ILE 40 9.779 -8.677 3.485 283 3HD1 ILE 40 3HD1 ILE 40 9.714 -7.739 1.993 284 H THR 41 H THR 41 5.992 -8.712 6.956 285 HA THR 41 HA THR 41 6.948 -11.150 5.853 286 HB THR 41 HB THR 41 9.060 -10.222 6.526 287 HG1 THR 41 HG1 THR 41 8.283 -12.508 8.084 288 1HG2 THR 41 1HG2 THR 41 8.960 -8.929 8.321 289 2HG2 THR 41 2HG2 THR 41 9.435 -10.423 9.153 290 3HG2 THR 41 3HG2 THR 41 7.742 -9.923 9.138 291 H GLN 42 H GLN 42 5.611 -12.768 6.386 292 HA GLN 42 HA GLN 42 5.124 -13.629 8.943 293 1HB GLN 42 1HB GLN 42 3.677 -11.881 9.511 294 1HG GLN 42 1HG GLN 42 1.366 -12.937 9.396 295 1HE2 GLN 42 1HE2 GLN 42 1.123 -13.309 11.474 296 2HE2 GLN 42 2HE2 GLN 42 2.147 -14.279 12.471 297 H GLU 43 H GLU 43 2.763 -13.356 6.212 298 HA GLU 43 HA GLU 43 2.872 -16.264 6.203 299 1HB GLU 43 1HB GLU 43 0.641 -14.567 5.095 300 1HG GLU 43 1HG GLU 43 0.856 -14.214 7.534 301 H GLY 44 H GLY 44 2.463 -17.228 3.740 302 1HA GLY 44 1HA GLY 44 4.089 -15.297 2.250 303 2HA GLY 44 2HA GLY 44 4.042 -17.020 1.894 304 H ASN 45 H ASN 45 2.348 -14.138 1.928 305 HA ASN 45 HA ASN 45 1.639 -13.773 -0.657 306 1HB ASN 45 1HB ASN 45 -0.920 -14.037 -0.395 307 1HD2 ASN 45 1HD2 ASN 45 0.394 -16.901 1.172 308 2HD2 ASN 45 2HD2 ASN 45 -0.635 -16.844 2.557 309 H LYS 46 H LYS 46 2.655 -11.994 0.531 310 HA LYS 46 HA LYS 46 0.824 -10.083 1.584 311 1HB LYS 46 1HB LYS 46 1.999 -12.102 3.348 312 1HG LYS 46 1HG LYS 46 0.206 -10.283 4.566 313 1HD LYS 46 1HD LYS 46 -0.785 -12.946 3.826 314 1HE LYS 46 1HE LYS 46 -0.899 -13.278 6.233 315 1HZ LYS 46 1HZ LYS 46 -2.803 -12.199 5.885 316 2HZ LYS 46 2HZ LYS 46 -2.086 -11.008 4.921 317 3HZ LYS 46 3HZ LYS 46 -2.044 -10.869 6.605 318 H PHE 47 H PHE 47 2.056 -8.257 2.779 319 HA PHE 47 HA PHE 47 4.866 -8.254 2.618 320 1HB PHE 47 1HB PHE 47 3.614 -6.244 0.712 321 HD1 PHE 47 HD1 PHE 47 6.431 -8.387 -0.129 322 HD2 PHE 47 HD2 PHE 47 2.252 -7.742 -0.617 323 HE1 PHE 47 HE1 PHE 47 6.412 -9.957 -2.024 324 HE2 PHE 47 HE2 PHE 47 2.223 -9.310 -2.505 325 HZ PHE 47 HZ PHE 47 4.304 -10.423 -3.214 326 H THR 48 H THR 48 5.005 -7.458 4.653 327 HA THR 48 HA THR 48 4.397 -4.751 5.110 328 HB THR 48 HB THR 48 2.207 -6.342 5.140 329 HG1 THR 48 HG1 THR 48 2.893 -3.806 5.443 330 1HG2 THR 48 1HG2 THR 48 3.008 -5.683 7.993 331 2HG2 THR 48 2HG2 THR 48 3.137 -7.289 7.252 332 3HG2 THR 48 3HG2 THR 48 1.536 -6.528 7.461 333 H VAL 49 H VAL 49 5.918 -4.175 6.461 334 HA VAL 49 HA VAL 49 5.925 -4.951 9.116 335 HB VAL 49 HB VAL 49 8.249 -6.051 7.509 336 1HG1 VAL 49 1HG1 VAL 49 8.085 -6.003 10.516 337 2HG1 VAL 49 2HG1 VAL 49 9.470 -6.387 9.488 338 3HG1 VAL 49 3HG1 VAL 49 8.875 -4.731 9.578 339 1HG2 VAL 49 1HG2 VAL 49 5.984 -7.337 8.642 340 2HG2 VAL 49 2HG2 VAL 49 7.347 -8.029 7.737 341 3HG2 VAL 49 3HG2 VAL 49 7.432 -7.864 9.496 342 H LYS 50 H LYS 50 6.302 -2.560 9.602 343 HA LYS 50 HA LYS 50 8.953 -1.804 8.972 344 1HB LYS 50 1HB LYS 50 8.058 0.061 7.322 345 1HG LYS 50 1HG LYS 50 6.316 -2.318 6.727 346 1HD LYS 50 1HD LYS 50 6.139 0.336 5.395 347 1HE LYS 50 1HE LYS 50 5.269 -0.982 3.562 348 1HZ LYS 50 1HZ LYS 50 3.514 -0.513 4.947 349 2HZ LYS 50 2HZ LYS 50 4.094 -1.470 6.214 350 3HZ LYS 50 3HZ LYS 50 3.415 -2.200 4.847 351 H GLU 51 H GLU 51 9.342 -0.611 10.799 352 HA GLU 51 HA GLU 51 7.309 1.471 11.426 353 1HB GLU 51 1HB GLU 51 9.199 0.092 13.356 354 1HG GLU 51 1HG GLU 51 6.260 -0.480 13.041 355 H SER 52 H SER 52 8.482 3.068 10.150 356 HA SER 52 HA SER 52 10.237 4.540 11.753 357 1HB SER 52 1HB SER 52 12.250 3.934 11.124 358 HG SER 52 HG SER 52 12.301 3.624 8.550 359 H SER 53 H SER 53 10.023 6.596 11.331 360 HA SER 53 HA SER 53 9.679 7.661 8.733 361 1HB SER 53 1HB SER 53 7.221 7.594 10.491 362 HG SER 53 HG SER 53 7.903 6.441 8.008 363 H ASN 54 H ASN 54 9.194 10.026 8.816 364 HA ASN 54 HA ASN 54 11.033 11.389 10.281 365 1HB ASN 54 1HB ASN 54 9.763 13.443 9.734 366 1HD2 ASN 54 1HD2 ASN 54 7.847 14.329 9.829 367 2HD2 ASN 54 2HD2 ASN 54 6.356 13.602 9.348 368 H PHE 55 H PHE 55 8.094 10.162 11.603 369 HA PHE 55 HA PHE 55 8.710 11.526 14.107 370 1HB PHE 55 1HB PHE 55 7.142 13.055 13.049 371 HD1 PHE 55 HD1 PHE 55 7.949 12.900 15.741 372 HD2 PHE 55 HD2 PHE 55 4.151 11.946 14.077 373 HE1 PHE 55 HE1 PHE 55 6.888 13.348 17.916 374 HE2 PHE 55 HE2 PHE 55 3.082 12.393 16.248 375 HZ PHE 55 HZ PHE 55 4.452 13.097 18.171 376 H ARG 56 H ARG 56 6.221 9.468 12.602 377 HA ARG 56 HA ARG 56 6.220 7.794 15.018 378 1HB ARG 56 1HB ARG 56 4.058 8.795 14.114 379 1HG ARG 56 1HG ARG 56 4.050 5.788 14.151 380 1HD ARG 56 1HD ARG 56 1.941 6.737 13.464 381 HE ARG 56 HE ARG 56 2.501 8.844 15.211 382 1HH1 ARG 56 1HH1 ARG 56 -0.189 6.819 14.311 383 2HH1 ARG 56 2HH1 ARG 56 -1.378 8.034 14.645 384 1HH2 ARG 56 1HH2 ARG 56 0.943 10.445 15.653 385 2HH2 ARG 56 2HH2 ARG 56 -0.734 10.093 15.407 386 H ASN 57 H ASN 57 5.943 5.338 14.516 387 HA ASN 57 HA ASN 57 6.940 4.480 11.970 388 1HB ASN 57 1HB ASN 57 8.938 3.324 13.152 389 1HD2 ASN 57 1HD2 ASN 57 10.004 6.264 14.015 390 2HD2 ASN 57 2HD2 ASN 57 9.953 6.118 15.740 391 H ILE 58 H ILE 58 5.489 3.199 11.661 392 HA ILE 58 HA ILE 58 5.692 0.631 12.586 393 HB ILE 58 HB ILE 58 4.611 1.135 14.586 394 1HG1 ILE 58 1HG1 ILE 58 2.621 0.129 12.494 395 1HG2 ILE 58 1HG2 ILE 58 2.948 2.705 14.896 396 2HG2 ILE 58 2HG2 ILE 58 3.888 3.415 13.570 397 3HG2 ILE 58 3HG2 ILE 58 2.367 2.569 13.234 398 1HD1 ILE 58 1HD1 ILE 58 1.333 0.720 14.461 399 2HD1 ILE 58 2HD1 ILE 58 1.494 -1.033 14.354 400 3HD1 ILE 58 3HD1 ILE 58 2.480 -0.127 15.501 401 H ASP 59 H ASP 59 5.105 -0.455 10.853 402 HA ASP 59 HA ASP 59 2.650 0.269 9.610 403 1HB ASP 59 1HB ASP 59 4.276 1.780 8.527 404 H VAL 60 H VAL 60 2.000 -1.681 10.179 405 HA VAL 60 HA VAL 60 3.203 -3.925 8.683 406 HB VAL 60 HB VAL 60 3.018 -5.409 10.588 407 1HG1 VAL 60 1HG1 VAL 60 4.421 -3.075 11.784 408 2HG1 VAL 60 2HG1 VAL 60 4.958 -4.748 11.589 409 3HG1 VAL 60 3HG1 VAL 60 4.962 -3.654 10.204 410 1HG2 VAL 60 1HG2 VAL 60 2.021 -4.937 12.576 411 2HG2 VAL 60 2HG2 VAL 60 2.534 -3.247 12.553 412 3HG2 VAL 60 3HG2 VAL 60 1.135 -3.760 11.609 413 H VAL 61 H VAL 61 1.644 -4.278 7.250 414 HA VAL 61 HA VAL 61 -0.948 -5.222 8.176 415 HB VAL 61 HB VAL 61 -0.793 -3.263 5.886 416 1HG1 VAL 61 1HG1 VAL 61 -3.139 -3.319 5.861 417 2HG1 VAL 61 2HG1 VAL 61 -2.643 -5.004 6.027 418 3HG1 VAL 61 3HG1 VAL 61 -3.220 -4.112 7.435 419 1HG2 VAL 61 1HG2 VAL 61 -1.565 -1.530 7.276 420 2HG2 VAL 61 2HG2 VAL 61 -1.912 -2.637 8.604 421 3HG2 VAL 61 3HG2 VAL 61 -0.241 -2.279 8.169 422 H PHE 62 H PHE 62 -0.633 -7.254 7.541 423 HA PHE 62 HA PHE 62 0.446 -7.934 4.960 424 1HB PHE 62 1HB PHE 62 0.576 -8.967 7.624 425 HD1 PHE 62 HD1 PHE 62 1.635 -11.779 6.674 426 HD2 PHE 62 HD2 PHE 62 2.313 -7.799 5.450 427 HE1 PHE 62 HE1 PHE 62 3.838 -12.416 5.762 428 HE2 PHE 62 HE2 PHE 62 4.473 -8.423 4.588 429 HZ PHE 62 HZ PHE 62 5.257 -10.713 4.687 430 H GLU 63 H GLU 63 -0.773 -8.646 3.339 431 HA GLU 63 HA GLU 63 -3.121 -10.217 3.687 432 1HB GLU 63 1HB GLU 63 -3.397 -7.344 3.564 433 1HG GLU 63 1HG GLU 63 -4.653 -8.762 5.116 434 H LEU 64 H LEU 64 -3.231 -11.533 2.065 435 HA LEU 64 HA LEU 64 -1.660 -11.397 -0.247 436 1HB LEU 64 1HB LEU 64 -2.760 -13.444 0.525 437 HG LEU 64 HG LEU 64 -2.410 -13.114 -2.030 438 1HD1 LEU 64 1HD1 LEU 64 -4.069 -15.242 -2.254 439 2HD1 LEU 64 2HD1 LEU 64 -2.441 -15.317 -1.579 440 3HD1 LEU 64 3HD1 LEU 64 -3.836 -15.184 -0.507 441 1HD2 LEU 64 1HD2 LEU 64 -5.197 -13.603 -2.544 442 2HD2 LEU 64 2HD2 LEU 64 -4.980 -12.033 -1.770 443 3HD2 LEU 64 3HD2 LEU 64 -4.120 -12.405 -3.263 444 H GLY 65 H GLY 65 -4.394 -9.862 0.910 445 1HA GLY 65 1HA GLY 65 -4.544 -8.074 -1.336 446 2HA GLY 65 2HA GLY 65 -6.021 -8.983 -1.064 447 H VAL 66 H VAL 66 -4.165 -6.346 -0.137 448 HA VAL 66 HA VAL 66 -5.488 -5.966 2.395 449 HB VAL 66 HB VAL 66 -2.879 -5.420 1.524 450 1HG1 VAL 66 1HG1 VAL 66 -3.790 -3.252 0.677 451 2HG1 VAL 66 2HG1 VAL 66 -4.224 -2.849 2.337 452 3HG1 VAL 66 3HG1 VAL 66 -2.533 -3.091 1.903 453 1HG2 VAL 66 1HG2 VAL 66 -2.512 -5.526 3.721 454 2HG2 VAL 66 2HG2 VAL 66 -3.585 -4.164 4.047 455 3HG2 VAL 66 3HG2 VAL 66 -4.247 -5.792 3.895 456 H ASP 67 H ASP 67 -5.782 -3.573 2.984 457 HA ASP 67 HA ASP 67 -6.899 -1.951 0.886 458 1HB ASP 67 1HB ASP 67 -8.663 -2.138 3.253 459 H PHE 68 H PHE 68 -6.163 -0.034 1.139 460 HA PHE 68 HA PHE 68 -5.200 0.874 3.741 461 1HB PHE 68 1HB PHE 68 -4.513 1.535 0.896 462 HD1 PHE 68 HD1 PHE 68 -1.861 2.796 1.883 463 HD2 PHE 68 HD2 PHE 68 -3.820 -0.880 2.759 464 HE1 PHE 68 HE1 PHE 68 0.309 1.774 2.428 465 HE2 PHE 68 HE2 PHE 68 -1.652 -1.908 3.303 466 HZ PHE 68 HZ PHE 68 0.416 -0.581 3.137 467 H ALA 69 H ALA 69 -6.029 2.717 4.614 468 HA ALA 69 HA ALA 69 -7.424 4.461 2.891 469 1HB ALA 69 1HB ALA 69 -9.046 2.816 4.832 470 2HB ALA 69 2HB ALA 69 -9.646 4.274 4.041 471 3HB ALA 69 3HB ALA 69 -9.182 2.873 3.071 472 H TYR 70 H TYR 70 -6.239 5.997 3.606 473 HA TYR 70 HA TYR 70 -7.018 7.579 5.765 474 1HB TYR 70 1HB TYR 70 -4.578 7.654 6.650 475 HD1 TYR 70 HD1 TYR 70 -2.543 7.053 5.732 476 HD2 TYR 70 HD2 TYR 70 -5.488 4.080 6.499 477 HE1 TYR 70 HE1 TYR 70 -0.868 5.299 5.323 478 HE2 TYR 70 HE2 TYR 70 -3.825 2.317 6.081 479 HH TYR 70 HH TYR 70 -1.674 1.865 5.700 480 H SER 71 H SER 71 -5.663 9.681 5.669 481 HA SER 71 HA SER 71 -5.057 9.862 2.861 482 1HB SER 71 1HB SER 71 -6.754 11.356 3.510 483 HG SER 71 HG SER 71 -5.821 12.586 2.123 484 H LEU 72 H LEU 72 -3.088 9.443 2.442 485 HA LEU 72 HA LEU 72 -0.831 9.567 3.966 486 1HB LEU 72 1HB LEU 72 -1.329 9.670 1.039 487 HG LEU 72 HG LEU 72 0.573 7.921 2.607 488 1HD1 LEU 72 1HD1 LEU 72 -1.827 7.730 3.336 489 2HD1 LEU 72 2HD1 LEU 72 -2.192 7.167 1.705 490 3HD1 LEU 72 3HD1 LEU 72 -1.087 6.249 2.728 491 1HD2 LEU 72 1HD2 LEU 72 -0.277 6.531 0.408 492 2HD2 LEU 72 2HD2 LEU 72 -0.147 8.171 -0.216 493 3HD2 LEU 72 3HD2 LEU 72 1.250 7.401 0.536 494 H ALA 73 H ALA 73 -2.382 12.179 2.202 495 HA ALA 73 HA ALA 73 -0.252 14.058 2.775 496 1HB ALA 73 1HB ALA 73 -1.735 14.005 0.671 497 2HB ALA 73 2HB ALA 73 -2.935 14.816 1.680 498 3HB ALA 73 3HB ALA 73 -1.363 15.567 1.401 499 H ASP 74 H ASP 74 -3.725 13.830 3.596 500 HA ASP 74 HA ASP 74 -3.401 14.492 6.308 501 1HB ASP 74 1HB ASP 74 -2.773 16.709 5.462 502 H GLY 75 H GLY 75 -5.260 14.035 7.412 503 1HA GLY 75 1HA GLY 75 -7.559 13.743 7.759 504 2HA GLY 75 2HA GLY 75 -7.841 14.163 6.069 505 H THR 76 H THR 76 -8.630 12.518 4.904 506 HA THR 76 HA THR 76 -7.402 9.891 5.152 507 HB THR 76 HB THR 76 -9.698 8.786 5.212 508 HG1 THR 76 HG1 THR 76 -11.103 10.433 4.874 509 1HG2 THR 76 1HG2 THR 76 -9.343 8.382 7.389 510 2HG2 THR 76 2HG2 THR 76 -9.575 10.075 7.825 511 3HG2 THR 76 3HG2 THR 76 -8.001 9.517 7.259 512 H GLU 77 H GLU 77 -6.938 9.248 3.308 513 HA GLU 77 HA GLU 77 -8.733 9.031 1.148 514 1HB GLU 77 1HB GLU 77 -7.995 10.668 -0.316 515 1HG GLU 77 1HG GLU 77 -5.634 11.178 1.442 516 H LEU 78 H LEU 78 -8.113 6.910 0.924 517 HA LEU 78 HA LEU 78 -5.681 6.457 -0.349 518 1HB LEU 78 1HB LEU 78 -4.723 6.820 1.810 519 HG LEU 78 HG LEU 78 -4.712 3.875 1.339 520 1HD1 LEU 78 1HD1 LEU 78 -2.534 5.816 0.590 521 2HD1 LEU 78 2HD1 LEU 78 -2.799 4.176 0.001 522 3HD1 LEU 78 3HD1 LEU 78 -3.869 5.480 -0.513 523 1HD2 LEU 78 1HD2 LEU 78 -3.741 3.855 3.346 524 2HD2 LEU 78 2HD2 LEU 78 -2.343 4.537 2.517 525 3HD2 LEU 78 3HD2 LEU 78 -3.481 5.599 3.344 526 H THR 79 H THR 79 -5.027 4.171 -0.407 527 HA THR 79 HA THR 79 -7.225 2.284 -0.474 528 HB THR 79 HB THR 79 -7.238 1.990 -2.685 529 HG1 THR 79 HG1 THR 79 -5.035 1.322 -2.736 530 1HG2 THR 79 1HG2 THR 79 -7.529 4.425 -2.222 531 2HG2 THR 79 2HG2 THR 79 -7.099 4.023 -3.892 532 3HG2 THR 79 3HG2 THR 79 -5.874 4.670 -2.790 533 H GLY 80 H GLY 80 -6.597 0.282 -0.559 534 1HA GLY 80 1HA GLY 80 -3.939 -0.181 -1.188 535 2HA GLY 80 2HA GLY 80 -4.295 -0.453 0.461 536 H THR 81 H THR 81 -3.296 -2.128 -1.351 537 HA THR 81 HA THR 81 -4.480 -4.449 -0.659 538 HB THR 81 HB THR 81 -4.785 -4.223 -3.599 539 HG1 THR 81 HG1 THR 81 -7.071 -4.041 -3.137 540 1HG2 THR 81 1HG2 THR 81 -6.013 -6.029 -1.547 541 2HG2 THR 81 2HG2 THR 81 -4.616 -6.421 -2.552 542 3HG2 THR 81 3HG2 THR 81 -6.195 -6.165 -3.294 543 H TRP 82 H TRP 82 -3.122 -6.049 -1.150 544 HA TRP 82 HA TRP 82 -0.918 -5.456 -2.888 545 1HB TRP 82 1HB TRP 82 -0.586 -6.131 0.046 546 HD1 TRP 82 HD1 TRP 82 -1.732 -3.800 0.638 547 HE1 TRP 82 HE1 TRP 82 -1.121 -1.364 0.189 548 HE3 TRP 82 HE3 TRP 82 2.024 -4.629 -2.622 549 HZ2 TRP 82 HZ2 TRP 82 0.821 0.067 -1.404 550 HZ3 TRP 82 HZ3 TRP 82 3.225 -2.734 -3.590 551 HH2 TRP 82 HH2 TRP 82 2.610 -0.439 -3.043 552 H THR 83 H THR 83 -1.208 -7.007 -4.284 553 HA THR 83 HA THR 83 -1.499 -9.737 -3.261 554 HB THR 83 HB THR 83 -2.627 -8.852 -5.893 555 HG1 THR 83 HG1 THR 83 -3.727 -7.440 -4.630 556 1HG2 THR 83 1HG2 THR 83 -2.478 -11.287 -4.656 557 2HG2 THR 83 2HG2 THR 83 -3.645 -10.853 -5.905 558 3HG2 THR 83 3HG2 THR 83 -4.091 -10.741 -4.202 559 H MET 84 H MET 84 0.601 -10.447 -3.571 560 HA MET 84 HA MET 84 1.323 -11.110 -6.216 561 1HB MET 84 1HB MET 84 2.910 -8.937 -5.014 562 1HG MET 84 1HG MET 84 1.697 -8.456 -6.969 563 1HE MET 84 1HE MET 84 0.015 -10.733 -9.024 564 2HE MET 84 2HE MET 84 0.752 -12.038 -8.096 565 3HE MET 84 3HE MET 84 0.232 -10.564 -7.285 566 H GLU 85 H GLU 85 3.581 -11.848 -6.311 567 HA GLU 85 HA GLU 85 3.923 -13.730 -4.171 568 1HB GLU 85 1HB GLU 85 5.060 -13.587 -6.967 569 1HG GLU 85 1HG GLU 85 2.751 -14.453 -6.801 570 H GLY 86 H GLY 86 6.442 -14.073 -3.757 571 1HA GLY 86 1HA GLY 86 7.360 -11.407 -3.084 572 2HA GLY 86 2HA GLY 86 8.059 -12.916 -2.505 573 H ASN 87 H ASN 87 8.071 -10.472 -4.714 574 HA ASN 87 HA ASN 87 10.561 -10.408 -5.651 575 1HB ASN 87 1HB ASN 87 10.314 -12.705 -6.544 576 1HD2 ASN 87 1HD2 ASN 87 9.362 -11.851 -9.534 577 2HD2 ASN 87 2HD2 ASN 87 10.865 -11.295 -10.182 578 H LYS 88 H LYS 88 7.237 -9.910 -5.822 579 HA LYS 88 HA LYS 88 7.558 -7.369 -7.058 580 1HB LYS 88 1HB LYS 88 6.454 -7.604 -9.022 581 1HG LYS 88 1HG LYS 88 4.434 -8.684 -8.473 582 1HD LYS 88 1HD LYS 88 4.982 -10.211 -6.742 583 1HE LYS 88 1HE LYS 88 7.246 -10.897 -7.532 584 1HZ LYS 88 1HZ LYS 88 6.231 -12.989 -9.245 585 2HZ LYS 88 2HZ LYS 88 7.608 -12.022 -9.415 586 3HZ LYS 88 3HZ LYS 88 6.096 -11.431 -9.893 587 H LEU 89 H LEU 89 5.443 -6.195 -7.200 588 HA LEU 89 HA LEU 89 3.532 -7.183 -5.212 589 1HB LEU 89 1HB LEU 89 4.344 -4.329 -5.695 590 HG LEU 89 HG LEU 89 6.201 -5.214 -4.410 591 1HD1 LEU 89 1HD1 LEU 89 4.674 -3.143 -3.599 592 2HD1 LEU 89 2HD1 LEU 89 4.665 -4.146 -2.148 593 3HD1 LEU 89 3HD1 LEU 89 6.202 -3.614 -2.845 594 1HD2 LEU 89 1HD2 LEU 89 4.632 -6.167 -2.133 595 2HD2 LEU 89 2HD2 LEU 89 4.387 -7.127 -3.595 596 3HD2 LEU 89 3HD2 LEU 89 6.013 -6.904 -2.944 597 H VAL 90 H VAL 90 1.391 -6.759 -5.552 598 HA VAL 90 HA VAL 90 0.628 -4.721 -7.287 599 HB VAL 90 HB VAL 90 1.225 -6.195 -9.121 600 1HG1 VAL 90 1HG1 VAL 90 0.726 -8.375 -9.329 601 2HG1 VAL 90 2HG1 VAL 90 0.533 -8.301 -7.576 602 3HG1 VAL 90 3HG1 VAL 90 -0.881 -8.180 -8.630 603 1HG2 VAL 90 1HG2 VAL 90 -1.615 -6.560 -9.462 604 2HG2 VAL 90 2HG2 VAL 90 -1.231 -4.979 -8.772 605 3HG2 VAL 90 3HG2 VAL 90 -0.506 -5.476 -10.303 606 H GLY 91 H GLY 91 -0.880 -4.038 -6.009 607 1HA GLY 91 1HA GLY 91 -3.316 -5.522 -5.560 608 2HA GLY 91 2HA GLY 91 -2.345 -5.265 -4.109 609 H LYS 92 H LYS 92 -5.066 -4.181 -5.027 610 HA LYS 92 HA LYS 92 -4.354 -1.444 -4.475 611 1HB LYS 92 1HB LYS 92 -3.981 -1.352 -6.621 612 1HG LYS 92 1HG LYS 92 -6.881 -0.763 -6.289 613 1HD LYS 92 1HD LYS 92 -7.090 -1.602 -8.455 614 1HE LYS 92 1HE LYS 92 -5.693 -1.010 -10.342 615 1HZ LYS 92 1HZ LYS 92 -5.123 -2.938 -8.688 616 2HZ LYS 92 2HZ LYS 92 -3.723 -2.019 -8.471 617 3HZ LYS 92 3HZ LYS 92 -4.137 -2.570 -10.011 618 H PHE 93 H PHE 93 -5.896 0.015 -4.176 619 HA PHE 93 HA PHE 93 -8.642 -0.759 -3.913 620 1HB PHE 93 1HB PHE 93 -6.887 -0.429 -1.695 621 HD1 PHE 93 HD1 PHE 93 -8.209 -2.683 -2.777 622 HD2 PHE 93 HD2 PHE 93 -9.801 0.316 -0.231 623 HE1 PHE 93 HE1 PHE 93 -9.915 -4.280 -1.972 624 HE2 PHE 93 HE2 PHE 93 -11.502 -1.262 0.593 625 HZ PHE 93 HZ PHE 93 -11.566 -3.566 -0.282 626 H LYS 94 H LYS 94 -9.881 1.178 -3.160 627 HA LYS 94 HA LYS 94 -9.016 3.346 -4.808 628 1HB LYS 94 1HB LYS 94 -11.182 3.905 -5.109 629 1HG LYS 94 1HG LYS 94 -11.631 4.006 -2.665 630 1HD LYS 94 1HD LYS 94 -12.838 1.282 -2.878 631 1HE LYS 94 1HE LYS 94 -13.181 2.908 -0.942 632 1HZ LYS 94 1HZ LYS 94 -11.080 3.710 -0.427 633 2HZ LYS 94 2HZ LYS 94 -10.333 2.194 -0.543 634 3HZ LYS 94 3HZ LYS 94 -11.338 2.549 0.774 635 H ARG 95 H ARG 95 -9.277 5.515 -3.940 636 HA ARG 95 HA ARG 95 -8.154 5.694 -1.393 637 1HB ARG 95 1HB ARG 95 -7.987 7.936 -1.644 638 1HG ARG 95 1HG ARG 95 -10.139 8.256 -3.642 639 1HD ARG 95 1HD ARG 95 -10.227 10.479 -2.789 640 HE ARG 95 HE ARG 95 -8.427 10.742 -4.166 641 1HH1 ARG 95 1HH1 ARG 95 -7.346 9.081 -1.291 642 2HH1 ARG 95 2HH1 ARG 95 -5.670 9.197 -1.713 643 1HH2 ARG 95 1HH2 ARG 95 -6.232 10.887 -4.713 644 2HH2 ARG 95 2HH2 ARG 95 -5.039 10.216 -3.652 645 H VAL 96 H VAL 96 -9.003 7.744 -0.099 646 HA VAL 96 HA VAL 96 -11.620 6.900 1.003 647 HB VAL 96 HB VAL 96 -9.483 8.411 2.503 648 1HG1 VAL 96 1HG1 VAL 96 -12.057 7.065 3.289 649 2HG1 VAL 96 2HG1 VAL 96 -10.799 7.442 4.465 650 3HG1 VAL 96 3HG1 VAL 96 -11.563 8.738 3.544 651 1HG2 VAL 96 1HG2 VAL 96 -9.814 5.508 2.023 652 2HG2 VAL 96 2HG2 VAL 96 -8.356 6.466 2.286 653 3HG2 VAL 96 3HG2 VAL 96 -9.375 6.020 3.653 654 H ASP 97 H ASP 97 -9.646 9.668 -0.020 655 HA ASP 97 HA ASP 97 -11.341 11.661 1.078 656 1HB ASP 97 1HB ASP 97 -9.211 12.356 0.150 657 H ASN 98 H ASN 98 -11.479 9.600 -1.644 658 HA ASN 98 HA ASN 98 -14.301 10.064 -1.948 659 1HB ASN 98 1HB ASN 98 -13.330 11.760 -3.500 660 1HD2 ASN 98 1HD2 ASN 98 -13.342 9.865 -6.132 661 2HD2 ASN 98 2HD2 ASN 98 -15.033 9.836 -6.483 662 H GLY 99 H GLY 99 -12.592 8.769 -4.620 663 1HA GLY 99 1HA GLY 99 -12.088 6.203 -3.532 664 2HA GLY 99 2HA GLY 99 -13.618 6.204 -4.430 665 H LYS 100 H LYS 100 -10.330 5.791 -4.619 666 HA LYS 100 HA LYS 100 -10.492 5.624 -7.502 667 1HB LYS 100 1HB LYS 100 -8.167 7.089 -6.299 668 1HG LYS 100 1HG LYS 100 -9.294 9.067 -7.648 669 1HD LYS 100 1HD LYS 100 -10.039 8.288 -4.832 670 1HE LYS 100 1HE LYS 100 -11.372 10.174 -5.672 671 1HZ LYS 100 1HZ LYS 100 -8.868 11.004 -6.739 672 2HZ LYS 100 2HZ LYS 100 -9.529 12.209 -5.753 673 3HZ LYS 100 3HZ LYS 100 -10.419 11.603 -7.058 674 H GLU 101 H GLU 101 -10.113 3.562 -7.617 675 HA GLU 101 HA GLU 101 -7.922 2.466 -6.080 676 1HB GLU 101 1HB GLU 101 -9.055 0.498 -5.949 677 1HG GLU 101 1HG GLU 101 -10.197 1.015 -8.667 678 H LEU 102 H LEU 102 -6.137 2.467 -6.964 679 HA LEU 102 HA LEU 102 -5.439 1.049 -9.267 680 1HB LEU 102 1HB LEU 102 -5.558 4.023 -9.509 681 HG LEU 102 HG LEU 102 -7.319 3.145 -10.760 682 1HD1 LEU 102 1HD1 LEU 102 -5.245 2.962 -12.894 683 2HD1 LEU 102 2HD1 LEU 102 -6.828 3.741 -12.921 684 3HD1 LEU 102 3HD1 LEU 102 -5.492 4.489 -12.047 685 1HD2 LEU 102 1HD2 LEU 102 -7.253 1.119 -12.063 686 2HD2 LEU 102 2HD2 LEU 102 -5.521 0.941 -11.782 687 3HD2 LEU 102 3HD2 LEU 102 -6.657 0.753 -10.436 688 H ILE 103 H ILE 103 -3.925 0.063 -8.228 689 HA ILE 103 HA ILE 103 -1.540 1.483 -7.669 690 HB ILE 103 HB ILE 103 -3.330 0.690 -5.397 691 1HG1 ILE 103 1HG1 ILE 103 -1.230 2.847 -5.639 692 1HG2 ILE 103 1HG2 ILE 103 -0.375 0.245 -5.427 693 2HG2 ILE 103 2HG2 ILE 103 -1.202 0.679 -3.930 694 3HG2 ILE 103 3HG2 ILE 103 -1.663 -0.785 -4.800 695 1HD1 ILE 103 1HD1 ILE 103 -2.563 1.949 -3.374 696 2HD1 ILE 103 2HD1 ILE 103 -1.695 3.472 -3.571 697 3HD1 ILE 103 3HD1 ILE 103 -3.431 3.399 -3.878 698 H ALA 104 H ALA 104 -0.065 -0.004 -8.478 699 HA ALA 104 HA ALA 104 -0.002 -2.653 -7.412 700 1HB ALA 104 1HB ALA 104 -0.403 -3.319 -10.058 701 2HB ALA 104 2HB ALA 104 -1.470 -3.583 -8.673 702 3HB ALA 104 3HB ALA 104 -1.660 -2.140 -9.663 703 H VAL 105 H VAL 105 2.162 -2.634 -7.137 704 HA VAL 105 HA VAL 105 3.820 -3.084 -9.376 705 HB VAL 105 HB VAL 105 3.308 -0.416 -9.131 706 1HG1 VAL 105 1HG1 VAL 105 4.281 -0.809 -6.766 707 2HG1 VAL 105 2HG1 VAL 105 5.844 -0.647 -7.586 708 3HG1 VAL 105 3HG1 VAL 105 4.669 0.667 -7.663 709 1HG2 VAL 105 1HG2 VAL 105 5.107 -1.979 -10.538 710 2HG2 VAL 105 2HG2 VAL 105 4.883 -0.240 -10.733 711 3HG2 VAL 105 3HG2 VAL 105 6.154 -0.852 -9.675 712 H ARG 106 H ARG 106 6.028 -3.635 -8.630 713 HA ARG 106 HA ARG 106 5.953 -3.850 -5.729 714 1HB ARG 106 1HB ARG 106 6.575 -5.990 -6.589 715 1HG ARG 106 1HG ARG 106 9.252 -5.421 -5.784 716 1HD ARG 106 1HD ARG 106 6.814 -6.770 -4.719 717 HE ARG 106 HE ARG 106 8.941 -7.664 -3.200 718 1HH1 ARG 106 1HH1 ARG 106 7.493 -4.513 -3.514 719 2HH1 ARG 106 2HH1 ARG 106 7.439 -4.225 -1.772 720 1HH2 ARG 106 1HH2 ARG 106 8.808 -7.288 -0.865 721 2HH2 ARG 106 2HH2 ARG 106 8.105 -5.743 -0.328 722 H GLU 107 H GLU 107 7.679 -3.332 -4.666 723 HA GLU 107 HA GLU 107 9.205 -1.224 -5.880 724 1HB GLU 107 1HB GLU 107 9.676 -0.819 -3.327 725 1HG GLU 107 1HG GLU 107 7.306 -2.667 -3.314 726 H ILE 108 H ILE 108 10.817 -2.295 -6.854 727 HA ILE 108 HA ILE 108 12.985 -3.379 -5.413 728 HB ILE 108 HB ILE 108 11.347 -5.299 -7.097 729 1HG1 ILE 108 1HG1 ILE 108 12.076 -5.371 -4.157 730 1HG2 ILE 108 1HG2 ILE 108 13.893 -5.278 -7.320 731 2HG2 ILE 108 2HG2 ILE 108 13.895 -6.002 -5.712 732 3HG2 ILE 108 3HG2 ILE 108 13.081 -6.819 -7.048 733 1HD1 ILE 108 1HD1 ILE 108 11.681 -7.547 -4.070 734 2HD1 ILE 108 2HD1 ILE 108 10.158 -7.345 -4.938 735 3HD1 ILE 108 3HD1 ILE 108 11.660 -7.580 -5.833 736 H SER 109 H SER 109 14.821 -3.073 -6.677 737 HA SER 109 HA SER 109 14.871 -3.492 -9.487 738 1HB SER 109 1HB SER 109 13.650 -1.367 -9.596 739 HG SER 109 HG SER 109 16.242 -0.591 -10.281 740 H GLY 110 H GLY 110 16.852 -4.499 -9.435 741 1HA GLY 110 1HA GLY 110 19.121 -4.818 -8.998 742 2HA GLY 110 2HA GLY 110 19.252 -3.053 -8.937 743 H ASN 111 H ASN 111 18.655 -1.978 -7.040 744 HA ASN 111 HA ASN 111 17.916 -3.359 -4.693 745 1HB ASN 111 1HB ASN 111 20.360 -3.838 -4.652 746 1HD2 ASN 111 1HD2 ASN 111 21.199 -1.242 -2.898 747 2HD2 ASN 111 2HD2 ASN 111 20.638 -1.736 -1.341 748 H GLU 112 H GLU 112 16.278 -1.994 -4.900 749 HA GLU 112 HA GLU 112 16.311 0.439 -3.537 750 1HB GLU 112 1HB GLU 112 15.875 2.041 -5.270 751 1HG GLU 112 1HG GLU 112 16.112 -0.207 -7.253 752 H LEU 113 H LEU 113 13.955 1.414 -3.724 753 HA LEU 113 HA LEU 113 12.219 -0.794 -4.583 754 1HB LEU 113 1HB LEU 113 12.384 0.460 -1.948 755 HG LEU 113 HG LEU 113 11.104 -1.982 -3.150 756 1HD1 LEU 113 1HD1 LEU 113 13.581 -1.816 -3.070 757 2HD1 LEU 113 2HD1 LEU 113 13.447 -1.865 -1.316 758 3HD1 LEU 113 3HD1 LEU 113 12.873 -3.226 -2.281 759 1HD2 LEU 113 1HD2 LEU 113 10.333 -0.846 -0.747 760 2HD2 LEU 113 2HD2 LEU 113 9.995 -2.485 -1.321 761 3HD2 LEU 113 3HD2 LEU 113 11.410 -2.172 -0.309 762 H ILE 114 H ILE 114 10.210 -0.351 -5.221 763 HA ILE 114 HA ILE 114 9.725 2.360 -6.234 764 HB ILE 114 HB ILE 114 8.805 0.009 -7.786 765 1HG1 ILE 114 1HG1 ILE 114 11.116 -0.550 -7.186 766 1HG2 ILE 114 1HG2 ILE 114 9.872 1.822 -9.530 767 2HG2 ILE 114 2HG2 ILE 114 8.194 1.814 -8.988 768 3HG2 ILE 114 3HG2 ILE 114 9.369 2.867 -8.200 769 1HD1 ILE 114 1HD1 ILE 114 11.971 1.932 -8.673 770 2HD1 ILE 114 2HD1 ILE 114 11.971 1.792 -6.911 771 3HD1 ILE 114 3HD1 ILE 114 13.000 0.736 -7.887 772 H GLN 115 H GLN 115 8.104 2.908 -5.062 773 HA GLN 115 HA GLN 115 5.850 1.067 -4.852 774 1HB GLN 115 1HB GLN 115 6.653 3.446 -3.171 775 1HG GLN 115 1HG GLN 115 6.053 0.579 -2.412 776 1HE2 GLN 115 1HE2 GLN 115 8.606 1.922 -0.805 777 2HE2 GLN 115 2HE2 GLN 115 7.797 2.418 0.638 778 H THR 116 H THR 116 4.772 1.376 -6.617 779 HA THR 116 HA THR 116 4.279 4.059 -7.580 780 HB THR 116 HB THR 116 3.439 1.591 -9.041 781 HG1 THR 116 HG1 THR 116 5.953 2.262 -8.386 782 1HG2 THR 116 1HG2 THR 116 4.450 4.234 -10.022 783 2HG2 THR 116 2HG2 THR 116 2.741 3.870 -9.758 784 3HG2 THR 116 3HG2 THR 116 3.660 2.971 -10.965 785 H TYR 117 H TYR 117 2.408 4.947 -6.967 786 HA TYR 117 HA TYR 117 0.225 3.072 -6.522 787 1HB TYR 117 1HB TYR 117 -0.128 5.976 -5.797 788 HD1 TYR 117 HD1 TYR 117 -0.109 3.530 -3.163 789 HD2 TYR 117 HD2 TYR 117 2.269 6.506 -5.051 790 HE1 TYR 117 HE1 TYR 117 1.318 3.652 -1.164 791 HE2 TYR 117 HE2 TYR 117 3.714 6.629 -3.064 792 HH TYR 117 HH TYR 117 3.933 6.030 -0.908 793 H THR 118 H THR 118 -1.850 4.041 -7.132 794 HA THR 118 HA THR 118 -1.766 5.824 -9.386 795 HB THR 118 HB THR 118 -3.038 3.085 -9.762 796 HG1 THR 118 HG1 THR 118 -0.541 3.578 -10.913 797 1HG2 THR 118 1HG2 THR 118 -2.533 3.725 -12.165 798 2HG2 THR 118 2HG2 THR 118 -1.938 5.301 -11.592 799 3HG2 THR 118 3HG2 THR 118 -3.644 4.847 -11.375 800 H TYR 119 H TYR 119 -4.177 6.367 -10.036 801 HA TYR 119 HA TYR 119 -6.232 5.594 -8.226 802 1HB TYR 119 1HB TYR 119 -6.396 7.719 -6.929 803 HD1 TYR 119 HD1 TYR 119 -2.694 7.540 -6.869 804 HD2 TYR 119 HD2 TYR 119 -6.082 9.826 -8.207 805 HE1 TYR 119 HE1 TYR 119 -1.254 9.543 -7.262 806 HE2 TYR 119 HE2 TYR 119 -4.622 11.770 -8.579 807 HH TYR 119 HH TYR 119 -1.231 11.721 -7.596 808 H GLU 120 H GLU 120 -7.610 5.512 -9.790 809 HA GLU 120 HA GLU 120 -9.081 6.238 -11.406 810 1HB GLU 120 1HB GLU 120 -7.698 8.937 -11.258 811 1HG GLU 120 1HG GLU 120 -10.241 8.118 -9.878 812 H GLY 121 H GLY 121 -5.997 7.935 -11.620 813 1HA GLY 121 1HA GLY 121 -4.745 6.048 -13.128 814 2HA GLY 121 2HA GLY 121 -5.351 7.256 -14.274 815 H VAL 122 H VAL 122 -3.027 6.450 -11.872 816 HA VAL 122 HA VAL 122 -1.259 8.468 -12.743 817 HB VAL 122 HB VAL 122 -2.271 8.755 -9.910 818 1HG1 VAL 122 1HG1 VAL 122 0.284 9.454 -11.155 819 2HG1 VAL 122 2HG1 VAL 122 -0.469 10.734 -10.202 820 3HG1 VAL 122 3HG1 VAL 122 -0.125 9.171 -9.463 821 1HG2 VAL 122 1HG2 VAL 122 -2.615 10.386 -12.337 822 2HG2 VAL 122 2HG2 VAL 122 -3.641 10.241 -10.906 823 3HG2 VAL 122 3HG2 VAL 122 -2.191 11.252 -10.852 824 H GLU 123 H GLU 123 0.414 7.017 -12.972 825 HA GLU 123 HA GLU 123 0.975 5.507 -10.542 826 1HB GLU 123 1HB GLU 123 2.235 3.981 -11.687 827 1HG GLU 123 1HG GLU 123 3.750 5.423 -12.875 828 H ALA 124 H ALA 124 2.874 5.797 -9.478 829 HA ALA 124 HA ALA 124 5.010 7.432 -10.451 830 1HB ALA 124 1HB ALA 124 4.623 9.191 -8.601 831 2HB ALA 124 2HB ALA 124 3.674 9.314 -10.080 832 3HB ALA 124 3HB ALA 124 2.943 8.633 -8.617 833 H LYS 125 H LYS 125 6.820 7.419 -9.019 834 HA LYS 125 HA LYS 125 6.571 6.209 -6.401 835 1HB LYS 125 1HB LYS 125 8.478 4.584 -7.784 836 1HG LYS 125 1HG LYS 125 7.074 3.321 -9.256 837 1HD LYS 125 1HD LYS 125 6.892 6.240 -9.914 838 1HE LYS 125 1HE LYS 125 5.192 5.228 -11.158 839 1HZ LYS 125 1HZ LYS 125 5.616 3.215 -12.506 840 2HZ LYS 125 2HZ LYS 125 5.631 2.914 -10.836 841 3HZ LYS 125 3HZ LYS 125 7.090 3.005 -11.700 842 H ARG 126 H ARG 126 8.424 6.409 -5.084 843 HA ARG 126 HA ARG 126 10.881 7.415 -6.191 844 1HB ARG 126 1HB ARG 126 10.732 9.536 -5.781 845 1HG ARG 126 1HG ARG 126 11.055 9.407 -3.348 846 1HD ARG 126 1HD ARG 126 8.131 9.845 -3.121 847 HE ARG 126 HE ARG 126 10.313 10.060 -1.299 848 1HH1 ARG 126 1HH1 ARG 126 6.933 9.334 -1.588 849 2HH1 ARG 126 2HH1 ARG 126 6.600 9.567 0.095 850 1HH2 ARG 126 1HH2 ARG 126 9.889 10.361 0.954 851 2HH2 ARG 126 2HH2 ARG 126 8.235 10.127 1.544 852 H ILE 127 H ILE 127 12.065 5.904 -5.332 853 HA ILE 127 HA ILE 127 12.452 5.933 -2.490 854 HB ILE 127 HB ILE 127 11.821 3.213 -3.403 855 1HG1 ILE 127 1HG1 ILE 127 9.534 5.180 -2.889 856 1HG2 ILE 127 1HG2 ILE 127 10.519 4.074 -1.004 857 2HG2 ILE 127 2HG2 ILE 127 11.803 2.877 -1.231 858 3HG2 ILE 127 3HG2 ILE 127 12.204 4.587 -1.012 859 1HD1 ILE 127 1HD1 ILE 127 8.170 3.475 -2.555 860 2HD1 ILE 127 2HD1 ILE 127 8.947 2.479 -3.786 861 3HD1 ILE 127 3HD1 ILE 127 9.627 2.563 -2.161 862 H PHE 128 H PHE 128 14.500 5.315 -2.055 863 HA PHE 128 HA PHE 128 15.675 3.353 -3.836 864 1HB PHE 128 1HB PHE 128 17.109 5.842 -2.909 865 HD1 PHE 128 HD1 PHE 128 16.770 7.559 -4.483 866 HD2 PHE 128 HD2 PHE 128 16.413 3.485 -5.658 867 HE1 PHE 128 HE1 PHE 128 16.085 8.285 -6.739 868 HE2 PHE 128 HE2 PHE 128 15.769 4.196 -7.938 869 HZ PHE 128 HZ PHE 128 15.605 6.601 -8.477 870 H LYS 129 H LYS 129 15.544 1.850 -2.798 871 HA LYS 129 HA LYS 129 15.902 1.835 0.091 872 1HB LYS 129 1HB LYS 129 14.315 0.200 -1.810 873 1HG LYS 129 1HG LYS 129 13.722 2.181 0.284 874 1HD LYS 129 1HD LYS 129 11.998 -0.122 -0.441 875 1HE LYS 129 1HE LYS 129 11.270 2.325 1.114 876 1HZ LYS 129 1HZ LYS 129 10.160 -0.190 1.094 877 2HZ LYS 129 2HZ LYS 129 9.136 0.774 0.156 878 3HZ LYS 129 3HZ LYS 129 9.497 1.222 1.748 879 H LYS 130 H LYS 130 16.242 -0.055 1.129 880 HA LYS 130 HA LYS 130 17.523 -1.676 1.909 881 1HB LYS 130 1HB LYS 130 16.215 -2.638 -0.084 882 1HG LYS 130 1HG LYS 130 18.507 -4.008 1.256 883 1HD LYS 130 1HD LYS 130 16.444 -5.130 -0.624 884 1HE LYS 130 1HE LYS 130 18.200 -6.965 0.857 885 1HZ LYS 130 1HZ LYS 130 15.364 -7.407 0.848 886 2HZ LYS 130 2HZ LYS 130 16.616 -8.413 0.310 887 3HZ LYS 130 3HZ LYS 130 16.006 -7.206 -0.708 888 H GLU 131 H GLU 131 19.577 -2.300 2.342 889 HA GLU 131 HA GLU 131 21.827 -2.047 2.535 890 1HB GLU 131 1HB GLU 131 21.775 -3.381 0.469 891 1HG GLU 131 1HG GLU 131 23.927 -2.729 -0.532 Start of MODEL 7 1 1H ALA 1 1H ALA 1 12.879 -12.595 -1.470 2 2H ALA 1 2H ALA 1 13.008 -12.957 0.177 3 3H ALA 1 3H ALA 1 13.116 -11.352 -0.346 4 HA ALA 1 HA ALA 1 10.914 -11.090 -0.557 5 1HB ALA 1 1HB ALA 1 10.902 -12.841 -2.358 6 2HB ALA 1 2HB ALA 1 10.547 -14.026 -1.101 7 3HB ALA 1 3HB ALA 1 9.414 -12.713 -1.420 8 H PHE 2 H PHE 2 9.567 -10.859 1.130 9 HA PHE 2 HA PHE 2 8.719 -11.053 3.232 10 1HB PHE 2 1HB PHE 2 9.161 -13.995 2.678 11 HD1 PHE 2 HD1 PHE 2 8.240 -12.462 0.430 12 HD2 PHE 2 HD2 PHE 2 6.049 -13.877 3.792 13 HE1 PHE 2 HE1 PHE 2 6.180 -12.455 -0.912 14 HE2 PHE 2 HE2 PHE 2 3.987 -13.872 2.452 15 HZ PHE 2 HZ PHE 2 4.050 -13.160 0.097 16 H ASP 3 H ASP 3 11.519 -10.568 2.933 17 HA ASP 3 HA ASP 3 12.390 -10.910 5.602 18 1HB ASP 3 1HB ASP 3 12.705 -13.229 4.490 19 H GLY 4 H GLY 4 12.214 -9.056 3.206 20 1HA GLY 4 1HA GLY 4 15.046 -8.281 3.199 21 2HA GLY 4 2HA GLY 4 13.938 -7.911 1.872 22 H THR 5 H THR 5 15.459 -5.890 3.174 23 HA THR 5 HA THR 5 13.260 -4.285 3.995 24 HB THR 5 HB THR 5 14.107 -5.034 6.192 25 HG1 THR 5 HG1 THR 5 13.670 -2.646 5.315 26 1HG2 THR 5 1HG2 THR 5 16.694 -3.625 5.558 27 2HG2 THR 5 2HG2 THR 5 16.506 -5.361 5.307 28 3HG2 THR 5 3HG2 THR 5 16.321 -4.679 6.922 29 H TRP 6 H TRP 6 13.600 -2.229 3.337 30 HA TRP 6 HA TRP 6 16.132 -1.482 2.323 31 1HB TRP 6 1HB TRP 6 14.083 -1.258 0.308 32 HD1 TRP 6 HD1 TRP 6 15.856 -4.233 -0.689 33 HE1 TRP 6 HE1 TRP 6 14.368 -6.342 -0.574 34 HE3 TRP 6 HE3 TRP 6 12.062 -2.396 2.163 35 HZ2 TRP 6 HZ2 TRP 6 11.892 -7.081 0.493 36 HZ3 TRP 6 HZ3 TRP 6 10.155 -3.860 2.651 37 HH2 TRP 6 HH2 TRP 6 10.077 -6.144 1.844 38 H LYS 7 H LYS 7 15.821 1.061 1.936 39 HA LYS 7 HA LYS 7 13.195 1.932 2.692 40 1HB LYS 7 1HB LYS 7 14.540 2.932 4.852 41 1HG LYS 7 1HG LYS 7 15.298 0.967 6.081 42 1HD LYS 7 1HD LYS 7 16.801 1.315 3.486 43 1HE LYS 7 1HE LYS 7 17.714 0.276 6.168 44 1HZ LYS 7 1HZ LYS 7 19.721 -0.253 4.621 45 2HZ LYS 7 2HZ LYS 7 19.584 1.265 5.355 46 3HZ LYS 7 3HZ LYS 7 19.141 1.066 3.734 47 H VAL 8 H VAL 8 12.883 4.025 2.173 48 HA VAL 8 HA VAL 8 14.840 6.031 2.458 49 HB VAL 8 HB VAL 8 14.531 6.344 -0.242 50 1HG1 VAL 8 1HG1 VAL 8 16.762 5.435 1.486 51 2HG1 VAL 8 2HG1 VAL 8 16.947 5.393 -0.274 52 3HG1 VAL 8 3HG1 VAL 8 16.556 6.917 0.518 53 1HG2 VAL 8 1HG2 VAL 8 15.457 3.521 -0.036 54 2HG2 VAL 8 2HG2 VAL 8 13.726 3.870 -0.004 55 3HG2 VAL 8 3HG2 VAL 8 14.686 4.407 -1.387 56 H ASP 9 H ASP 9 12.634 5.328 -0.082 57 HA ASP 9 HA ASP 9 11.106 7.677 0.697 58 1HB ASP 9 1HB ASP 9 12.288 6.900 -1.940 59 H ARG 10 H ARG 10 9.665 7.473 -1.681 60 HA ARG 10 HA ARG 10 8.062 5.168 -1.901 61 1HB ARG 10 1HB ARG 10 6.003 6.071 -0.981 62 1HG ARG 10 1HG ARG 10 7.532 8.294 0.283 63 1HD ARG 10 1HD ARG 10 5.286 9.285 0.460 64 HE ARG 10 HE ARG 10 6.114 7.099 1.954 65 1HH1 ARG 10 1HH1 ARG 10 3.105 8.616 1.068 66 2HH1 ARG 10 2HH1 ARG 10 2.298 8.162 2.532 67 1HH2 ARG 10 1HH2 ARG 10 5.061 6.498 3.882 68 2HH2 ARG 10 2HH2 ARG 10 3.410 6.957 4.132 69 H ASN 11 H ASN 11 5.833 6.606 -3.033 70 HA ASN 11 HA ASN 11 7.303 7.691 -5.265 71 1HB ASN 11 1HB ASN 11 5.596 6.929 -6.456 72 1HD2 ASN 11 1HD2 ASN 11 4.289 8.946 -3.892 73 2HD2 ASN 11 2HD2 ASN 11 2.885 9.469 -4.777 74 H GLU 12 H GLU 12 6.261 9.727 -6.287 75 HA GLU 12 HA GLU 12 6.153 11.709 -4.145 76 1HB GLU 12 1HB GLU 12 6.504 12.019 -7.108 77 1HG GLU 12 1HG GLU 12 8.389 13.480 -6.451 78 H ASN 13 H ASN 13 4.547 12.259 -3.492 79 HA ASN 13 HA ASN 13 1.994 12.108 -4.794 80 1HB ASN 13 1HB ASN 13 3.106 12.807 -2.072 81 1HD2 ASN 13 1HD2 ASN 13 0.338 11.333 -3.564 82 2HD2 ASN 13 2HD2 ASN 13 0.273 9.898 -2.621 83 H TYR 14 H TYR 14 4.522 13.774 -3.490 84 HA TYR 14 HA TYR 14 3.800 16.328 -3.778 85 1HB TYR 14 1HB TYR 14 5.912 16.040 -2.739 86 HD1 TYR 14 HD1 TYR 14 8.522 15.580 -4.605 87 HD2 TYR 14 HD2 TYR 14 5.140 18.149 -4.740 88 HE1 TYR 14 HE1 TYR 14 9.791 17.189 -5.974 89 HE2 TYR 14 HE2 TYR 14 6.350 19.730 -6.135 90 HH TYR 14 HH TYR 14 9.198 19.025 -7.684 91 H GLU 15 H GLU 15 4.410 13.743 -6.017 92 HA GLU 15 HA GLU 15 4.553 15.778 -8.151 93 1HB GLU 15 1HB GLU 15 5.375 14.204 -9.647 94 1HG GLU 15 1HG GLU 15 5.023 11.982 -7.651 95 H LYS 16 H LYS 16 2.847 13.050 -7.076 96 HA LYS 16 HA LYS 16 1.060 12.837 -9.209 97 1HB LYS 16 1HB LYS 16 -0.023 12.704 -6.427 98 1HG LYS 16 1HG LYS 16 1.919 10.647 -7.331 99 1HD LYS 16 1HD LYS 16 1.317 10.575 -4.654 100 1HE LYS 16 1HE LYS 16 0.520 8.895 -7.002 101 1HZ LYS 16 1HZ LYS 16 0.248 7.776 -4.335 102 2HZ LYS 16 2HZ LYS 16 -0.675 7.487 -5.724 103 3HZ LYS 16 3HZ LYS 16 -0.954 8.877 -4.795 104 H PHE 17 H PHE 17 0.630 14.315 -6.239 105 HA PHE 17 HA PHE 17 -1.611 15.883 -6.981 106 1HB PHE 17 1HB PHE 17 0.476 16.417 -4.870 107 HD1 PHE 17 HD1 PHE 17 -2.566 15.842 -3.319 108 HD2 PHE 17 HD2 PHE 17 0.435 13.539 -5.340 109 HE1 PHE 17 HE1 PHE 17 -3.442 13.752 -2.346 110 HE2 PHE 17 HE2 PHE 17 -0.489 11.569 -4.452 111 HZ PHE 17 HZ PHE 17 -2.340 11.584 -2.913 112 H MET 18 H MET 18 1.792 16.104 -7.253 113 HA MET 18 HA MET 18 1.719 18.874 -7.909 114 1HB MET 18 1HB MET 18 3.840 18.352 -7.247 115 1HG MET 18 1HG MET 18 3.800 17.611 -10.178 116 1HE MET 18 1HE MET 18 6.855 18.966 -10.819 117 2HE MET 18 2HE MET 18 7.550 17.362 -11.044 118 3HE MET 18 3HE MET 18 5.910 17.698 -11.597 119 H GLU 19 H GLU 19 1.184 15.911 -9.513 120 HA GLU 19 HA GLU 19 1.507 17.240 -12.081 121 1HB GLU 19 1HB GLU 19 1.010 14.315 -11.564 122 1HG GLU 19 1HG GLU 19 3.655 15.745 -11.745 123 H LYS 20 H LYS 20 -0.795 16.716 -9.734 124 HA LYS 20 HA LYS 20 -2.868 16.939 -11.776 125 1HB LYS 20 1HB LYS 20 -4.141 14.991 -10.955 126 1HG LYS 20 1HG LYS 20 -1.587 14.368 -9.448 127 1HD LYS 20 1HD LYS 20 -2.519 12.376 -10.539 128 1HE LYS 20 1HE LYS 20 -5.062 13.055 -9.066 129 1HZ LYS 20 1HZ LYS 20 -4.069 10.618 -10.236 130 2HZ LYS 20 2HZ LYS 20 -5.603 11.063 -10.793 131 3HZ LYS 20 3HZ LYS 20 -5.334 10.856 -9.137 132 H MET 21 H MET 21 -2.230 16.595 -8.312 133 HA MET 21 HA MET 21 -4.571 17.118 -7.148 134 1HB MET 21 1HB MET 21 -1.889 17.370 -6.442 135 1HG MET 21 1HG MET 21 -3.870 16.299 -5.247 136 1HE MET 21 1HE MET 21 -3.305 20.267 -4.470 137 2HE MET 21 2HE MET 21 -3.898 20.193 -2.811 138 3HE MET 21 3HE MET 21 -2.488 19.245 -3.287 139 H GLY 22 H GLY 22 -2.272 19.550 -8.012 140 1HA GLY 22 1HA GLY 22 -3.740 21.443 -9.347 141 2HA GLY 22 2HA GLY 22 -4.055 21.781 -7.638 142 H ILE 23 H ILE 23 -1.505 20.562 -6.958 143 HA ILE 23 HA ILE 23 0.585 21.110 -6.417 144 HB ILE 23 HB ILE 23 2.026 21.376 -8.147 145 1HG1 ILE 23 1HG1 ILE 23 0.054 23.172 -9.594 146 1HG2 ILE 23 1HG2 ILE 23 -0.586 20.740 -9.525 147 2HG2 ILE 23 2HG2 ILE 23 1.017 20.376 -10.155 148 3HG2 ILE 23 3HG2 ILE 23 0.450 19.579 -8.680 149 1HD1 ILE 23 1HD1 ILE 23 1.342 22.548 -11.340 150 2HD1 ILE 23 2HD1 ILE 23 2.386 23.808 -10.683 151 3HD1 ILE 23 3HD1 ILE 23 2.713 22.113 -10.320 152 H ASN 24 H ASN 24 1.099 22.450 -4.924 153 HA ASN 24 HA ASN 24 1.772 25.087 -5.046 154 1HB ASN 24 1HB ASN 24 -0.648 25.464 -5.684 155 1HD2 ASN 24 1HD2 ASN 24 1.802 26.447 -3.785 156 2HD2 ASN 24 2HD2 ASN 24 1.219 28.004 -3.320 157 H VAL 25 H VAL 25 -0.275 22.967 -3.094 158 HA VAL 25 HA VAL 25 1.550 23.383 -0.824 159 HB VAL 25 HB VAL 25 -1.420 22.860 -0.632 160 1HG1 VAL 25 1HG1 VAL 25 0.489 22.280 1.202 161 2HG1 VAL 25 2HG1 VAL 25 0.061 23.926 1.669 162 3HG1 VAL 25 3HG1 VAL 25 -1.184 22.678 1.595 163 1HG2 VAL 25 1HG2 VAL 25 -1.810 25.102 -0.254 164 2HG2 VAL 25 2HG2 VAL 25 -0.135 25.429 0.184 165 3HG2 VAL 25 3HG2 VAL 25 -0.568 25.164 -1.505 166 H VAL 26 H VAL 26 2.672 21.614 -0.574 167 HA VAL 26 HA VAL 26 2.105 19.087 -1.622 168 HB VAL 26 HB VAL 26 3.857 18.296 0.082 169 1HG1 VAL 26 1HG1 VAL 26 4.508 18.634 -2.161 170 2HG1 VAL 26 2HG1 VAL 26 4.364 20.390 -2.017 171 3HG1 VAL 26 3HG1 VAL 26 5.670 19.543 -1.186 172 1HG2 VAL 26 1HG2 VAL 26 4.506 21.191 0.409 173 2HG2 VAL 26 2HG2 VAL 26 3.333 20.443 1.492 174 3HG2 VAL 26 3HG2 VAL 26 4.978 19.812 1.402 175 H LYS 27 H LYS 27 -0.171 18.801 -0.896 176 HA LYS 27 HA LYS 27 -0.796 18.316 1.837 177 1HB LYS 27 1HB LYS 27 -2.181 17.322 -0.668 178 1HG LYS 27 1HG LYS 27 -2.089 19.844 -0.327 179 1HD LYS 27 1HD LYS 27 -3.962 20.620 1.221 180 1HE LYS 27 1HE LYS 27 -1.479 19.500 2.512 181 1HZ LYS 27 1HZ LYS 27 -1.817 21.016 4.215 182 2HZ LYS 27 2HZ LYS 27 -3.367 20.394 3.954 183 3HZ LYS 27 3HZ LYS 27 -2.954 21.916 3.344 184 H ARG 28 H ARG 28 -1.632 15.645 -0.212 185 HA ARG 28 HA ARG 28 -0.471 13.703 1.480 186 1HB ARG 28 1HB ARG 28 -2.219 13.471 -0.516 187 1HG ARG 28 1HG ARG 28 -2.092 11.449 0.547 188 1HD ARG 28 1HD ARG 28 -0.055 10.040 0.663 189 HE ARG 28 HE ARG 28 -0.518 12.273 2.253 190 1HH1 ARG 28 1HH1 ARG 28 2.163 10.239 1.352 191 2HH1 ARG 28 2HH1 ARG 28 3.007 10.471 2.847 192 1HH2 ARG 28 1HH2 ARG 28 0.585 12.584 4.219 193 2HH2 ARG 28 2HH2 ARG 28 2.109 11.805 4.477 194 H LYS 29 H LYS 29 0.699 15.748 -1.020 195 HA LYS 29 HA LYS 29 2.763 14.483 -2.171 196 1HB LYS 29 1HB LYS 29 2.997 17.277 -1.158 197 1HG LYS 29 1HG LYS 29 1.852 16.185 -3.695 198 1HD LYS 29 1HD LYS 29 2.575 19.045 -3.205 199 1HE LYS 29 1HE LYS 29 2.640 18.998 -5.706 200 1HZ LYS 29 1HZ LYS 29 0.080 18.394 -4.335 201 2HZ LYS 29 2HZ LYS 29 0.186 18.938 -5.934 202 3HZ LYS 29 3HZ LYS 29 0.720 19.925 -4.668 203 H LEU 30 H LEU 30 4.713 16.563 -0.825 204 HA LEU 30 HA LEU 30 6.554 16.323 0.542 205 1HB LEU 30 1HB LEU 30 4.909 14.132 1.861 206 HG LEU 30 HG LEU 30 3.885 16.338 2.278 207 1HD1 LEU 30 1HD1 LEU 30 5.259 15.510 4.803 208 2HD1 LEU 30 2HD1 LEU 30 3.591 16.028 4.557 209 3HD1 LEU 30 3HD1 LEU 30 4.110 14.434 4.009 210 1HD2 LEU 30 1HD2 LEU 30 5.112 18.013 3.580 211 2HD2 LEU 30 2HD2 LEU 30 6.571 17.030 3.463 212 3HD2 LEU 30 3HD2 LEU 30 5.862 17.733 2.009 213 H GLY 31 H GLY 31 5.174 14.687 -1.684 214 1HA GLY 31 1HA GLY 31 5.992 12.188 -2.018 215 2HA GLY 31 2HA GLY 31 5.859 13.350 -3.294 216 H ALA 32 H ALA 32 8.086 14.899 -1.730 217 HA ALA 32 HA ALA 32 10.282 13.528 -3.098 218 1HB ALA 32 1HB ALA 32 11.487 15.704 -2.766 219 2HB ALA 32 2HB ALA 32 10.057 15.787 -3.794 220 3HB ALA 32 3HB ALA 32 9.979 16.361 -2.128 221 H HIS 33 H HIS 33 12.460 13.831 -2.016 222 HA HIS 33 HA HIS 33 13.793 12.925 -0.423 223 1HB HIS 33 1HB HIS 33 13.909 14.379 1.592 224 HD1 HIS 33 HD1 HIS 33 11.306 16.142 -0.566 225 HD2 HIS 33 HD2 HIS 33 12.245 15.452 3.422 226 HE1 HIS 33 HE1 HIS 33 9.600 17.430 0.759 227 HE2 HIS 33 HE2 HIS 33 10.127 16.912 3.167 228 H ALA 34 H ALA 34 12.377 13.591 2.437 229 HA ALA 34 HA ALA 34 11.298 12.424 4.008 230 1HB ALA 34 1HB ALA 34 9.935 10.406 2.557 231 2HB ALA 34 2HB ALA 34 9.283 11.861 3.311 232 3HB ALA 34 3HB ALA 34 9.855 11.913 1.643 233 H ASN 35 H ASN 35 11.508 10.579 5.289 234 HA ASN 35 HA ASN 35 13.198 8.399 4.245 235 1HB ASN 35 1HB ASN 35 13.518 9.742 6.949 236 1HD2 ASN 35 1HD2 ASN 35 14.598 11.554 6.856 237 2HD2 ASN 35 2HD2 ASN 35 15.784 11.984 5.673 238 H LEU 36 H LEU 36 12.799 6.369 5.061 239 HA LEU 36 HA LEU 36 10.956 5.864 7.147 240 1HB LEU 36 1HB LEU 36 9.068 5.258 5.893 241 HG LEU 36 HG LEU 36 9.800 4.068 4.079 242 1HD1 LEU 36 1HD1 LEU 36 8.503 4.842 2.311 243 2HD1 LEU 36 2HD1 LEU 36 7.821 5.669 3.710 244 3HD1 LEU 36 3HD1 LEU 36 8.917 6.529 2.622 245 1HD2 LEU 36 1HD2 LEU 36 11.681 6.243 3.605 246 2HD2 LEU 36 2HD2 LEU 36 11.864 4.499 3.342 247 3HD2 LEU 36 3HD2 LEU 36 11.012 5.499 2.154 248 H LYS 37 H LYS 37 10.813 3.440 7.500 249 HA LYS 37 HA LYS 37 12.889 2.278 5.801 250 1HB LYS 37 1HB LYS 37 13.567 0.816 7.600 251 1HG LYS 37 1HG LYS 37 12.577 1.342 9.922 252 1HD LYS 37 1HD LYS 37 10.894 -0.432 9.677 253 1HE LYS 37 1HE LYS 37 12.351 -2.184 8.807 254 1HZ LYS 37 1HZ LYS 37 14.331 -1.705 10.144 255 2HZ LYS 37 2HZ LYS 37 12.903 -1.350 10.979 256 3HZ LYS 37 3HZ LYS 37 13.829 -0.098 10.317 257 H LEU 38 H LEU 38 12.602 0.068 4.930 258 HA LEU 38 HA LEU 38 9.781 -0.771 5.199 259 1HB LEU 38 1HB LEU 38 10.746 0.322 3.009 260 HG LEU 38 HG LEU 38 8.546 -0.354 2.727 261 1HD1 LEU 38 1HD1 LEU 38 8.658 -0.881 0.597 262 2HD1 LEU 38 2HD1 LEU 38 10.392 -1.105 0.824 263 3HD1 LEU 38 3HD1 LEU 38 9.300 -2.483 0.952 264 1HD2 LEU 38 1HD2 LEU 38 7.999 -2.899 2.632 265 2HD2 LEU 38 2HD2 LEU 38 9.471 -3.058 3.588 266 3HD2 LEU 38 3HD2 LEU 38 8.129 -2.089 4.191 267 H THR 39 H THR 39 9.550 -2.743 6.025 268 HA THR 39 HA THR 39 11.436 -4.833 5.214 269 HB THR 39 HB THR 39 10.487 -4.355 8.065 270 HG1 THR 39 HG1 THR 39 12.369 -3.131 6.983 271 1HG2 THR 39 1HG2 THR 39 12.021 -6.263 8.605 272 2HG2 THR 39 2HG2 THR 39 12.256 -6.533 6.879 273 3HG2 THR 39 3HG2 THR 39 10.660 -6.753 7.596 274 H ILE 40 H ILE 40 10.078 -7.181 5.700 275 HA ILE 40 HA ILE 40 7.235 -6.784 5.955 276 HB ILE 40 HB ILE 40 6.569 -7.431 3.785 277 1HG1 ILE 40 1HG1 ILE 40 8.167 -9.135 3.374 278 1HG2 ILE 40 1HG2 ILE 40 8.738 -5.390 3.469 279 2HG2 ILE 40 2HG2 ILE 40 7.557 -5.778 2.219 280 3HG2 ILE 40 3HG2 ILE 40 7.022 -5.104 3.759 281 1HD1 ILE 40 1HD1 ILE 40 10.338 -8.822 3.586 282 2HD1 ILE 40 2HD1 ILE 40 10.304 -7.887 2.092 283 3HD1 ILE 40 3HD1 ILE 40 10.131 -7.069 3.649 284 H THR 41 H THR 41 6.601 -8.627 7.071 285 HA THR 41 HA THR 41 7.223 -11.183 6.021 286 HB THR 41 HB THR 41 9.449 -10.682 6.629 287 HG1 THR 41 HG1 THR 41 8.706 -12.865 6.977 288 1HG2 THR 41 1HG2 THR 41 8.324 -9.956 9.269 289 2HG2 THR 41 2HG2 THR 41 9.534 -9.135 8.263 290 3HG2 THR 41 3HG2 THR 41 9.969 -10.594 9.175 291 H GLN 42 H GLN 42 5.759 -12.703 6.768 292 HA GLN 42 HA GLN 42 5.114 -13.058 9.438 293 1HB GLN 42 1HB GLN 42 3.872 -11.025 9.470 294 1HG GLN 42 1HG GLN 42 1.511 -11.867 9.657 295 1HE2 GLN 42 1HE2 GLN 42 1.357 -11.728 11.774 296 2HE2 GLN 42 2HE2 GLN 42 2.303 -12.594 12.932 297 H GLU 43 H GLU 43 2.903 -12.939 6.681 298 HA GLU 43 HA GLU 43 2.522 -15.780 7.030 299 1HB GLU 43 1HB GLU 43 0.710 -13.639 5.931 300 1HG GLU 43 1HG GLU 43 0.556 -15.289 8.438 301 H GLY 44 H GLY 44 1.918 -16.967 4.737 302 1HA GLY 44 1HA GLY 44 3.747 -15.526 2.954 303 2HA GLY 44 2HA GLY 44 3.423 -17.253 2.830 304 H ASN 45 H ASN 45 2.118 -14.192 2.644 305 HA ASN 45 HA ASN 45 1.375 -13.884 0.100 306 1HB ASN 45 1HB ASN 45 -1.174 -13.819 0.320 307 1HD2 ASN 45 1HD2 ASN 45 0.342 -14.714 3.197 308 2HD2 ASN 45 2HD2 ASN 45 -1.041 -15.307 4.031 309 H LYS 46 H LYS 46 2.559 -12.146 1.106 310 HA LYS 46 HA LYS 46 0.933 -10.022 2.014 311 1HB LYS 46 1HB LYS 46 0.622 -11.374 3.975 312 1HG LYS 46 1HG LYS 46 2.794 -9.439 4.699 313 1HD LYS 46 1HD LYS 46 2.422 -11.159 6.400 314 1HE LYS 46 1HE LYS 46 -0.457 -10.356 6.142 315 1HZ LYS 46 1HZ LYS 46 0.391 -10.571 8.505 316 2HZ LYS 46 2HZ LYS 46 0.636 -12.206 8.167 317 3HZ LYS 46 3HZ LYS 46 -0.919 -11.553 8.079 318 H PHE 47 H PHE 47 2.391 -8.219 2.964 319 HA PHE 47 HA PHE 47 5.212 -8.670 2.804 320 1HB PHE 47 1HB PHE 47 5.856 -7.554 0.890 321 HD1 PHE 47 HD1 PHE 47 2.323 -6.707 0.328 322 HD2 PHE 47 HD2 PHE 47 6.250 -5.250 1.056 323 HE1 PHE 47 HE1 PHE 47 1.558 -4.427 -0.116 324 HE2 PHE 47 HE2 PHE 47 5.491 -2.955 0.600 325 HZ PHE 47 HZ PHE 47 3.136 -2.541 0.017 326 H THR 48 H THR 48 5.468 -7.836 4.821 327 HA THR 48 HA THR 48 5.219 -5.028 5.089 328 HB THR 48 HB THR 48 2.816 -6.073 5.116 329 HG1 THR 48 HG1 THR 48 3.623 -3.828 5.477 330 1HG2 THR 48 1HG2 THR 48 3.911 -6.388 7.913 331 2HG2 THR 48 2HG2 THR 48 3.004 -7.556 6.934 332 3HG2 THR 48 3HG2 THR 48 2.178 -6.131 7.597 333 H VAL 49 H VAL 49 6.590 -4.344 6.525 334 HA VAL 49 HA VAL 49 6.563 -5.121 9.199 335 HB VAL 49 HB VAL 49 8.895 -6.219 7.612 336 1HG1 VAL 49 1HG1 VAL 49 8.838 -6.280 10.603 337 2HG1 VAL 49 2HG1 VAL 49 10.207 -6.372 9.492 338 3HG1 VAL 49 3HG1 VAL 49 9.399 -4.831 9.764 339 1HG2 VAL 49 1HG2 VAL 49 6.634 -7.478 8.720 340 2HG2 VAL 49 2HG2 VAL 49 8.052 -8.209 7.930 341 3HG2 VAL 49 3HG2 VAL 49 8.033 -7.952 9.683 342 H LYS 50 H LYS 50 6.855 -2.678 9.638 343 HA LYS 50 HA LYS 50 9.547 -1.942 9.347 344 1HB LYS 50 1HB LYS 50 9.418 -0.302 7.539 345 1HG LYS 50 1HG LYS 50 6.814 -1.595 6.918 346 1HD LYS 50 1HD LYS 50 7.676 0.840 5.514 347 1HE LYS 50 1HE LYS 50 6.249 -1.714 4.751 348 1HZ LYS 50 1HZ LYS 50 7.061 0.634 3.218 349 2HZ LYS 50 2HZ LYS 50 5.475 0.104 2.966 350 3HZ LYS 50 3HZ LYS 50 6.771 -0.950 2.701 351 H GLU 51 H GLU 51 9.909 -0.136 10.689 352 HA GLU 51 HA GLU 51 7.549 1.605 10.953 353 1HB GLU 51 1HB GLU 51 9.212 0.725 13.330 354 1HG GLU 51 1HG GLU 51 6.440 -0.199 12.602 355 H SER 52 H SER 52 8.623 3.083 9.653 356 HA SER 52 HA SER 52 9.980 5.023 11.055 357 1HB SER 52 1HB SER 52 12.129 4.569 10.792 358 HG SER 52 HG SER 52 12.401 3.960 8.195 359 H SER 53 H SER 53 9.503 6.915 10.141 360 HA SER 53 HA SER 53 9.336 7.278 7.335 361 1HB SER 53 1HB SER 53 6.693 7.219 8.804 362 HG SER 53 HG SER 53 6.850 5.794 6.524 363 H ASN 54 H ASN 54 8.407 9.407 6.776 364 HA ASN 54 HA ASN 54 9.765 11.499 7.728 365 1HB ASN 54 1HB ASN 54 6.863 11.763 6.947 366 1HD2 ASN 54 1HD2 ASN 54 9.647 10.200 6.052 367 2HD2 ASN 54 2HD2 ASN 54 9.377 10.128 4.350 368 H PHE 55 H PHE 55 7.036 10.097 9.411 369 HA PHE 55 HA PHE 55 7.582 11.782 11.706 370 1HB PHE 55 1HB PHE 55 6.025 13.166 10.387 371 HD1 PHE 55 HD1 PHE 55 6.938 13.136 13.188 372 HD2 PHE 55 HD2 PHE 55 3.043 12.655 11.540 373 HE1 PHE 55 HE1 PHE 55 5.952 13.997 15.272 374 HE2 PHE 55 HE2 PHE 55 2.052 13.514 13.620 375 HZ PHE 55 HZ PHE 55 3.506 14.187 15.490 376 H ARG 56 H ARG 56 5.525 9.339 10.227 377 HA ARG 56 HA ARG 56 5.104 8.082 12.846 378 1HB ARG 56 1HB ARG 56 3.713 7.641 10.193 379 1HG ARG 56 1HG ARG 56 2.658 8.792 12.768 380 1HD ARG 56 1HD ARG 56 1.344 8.462 10.075 381 HE ARG 56 HE ARG 56 -0.409 9.126 12.165 382 1HH1 ARG 56 1HH1 ARG 56 2.046 10.582 10.160 383 2HH1 ARG 56 2HH1 ARG 56 1.376 12.174 10.279 384 1HH2 ARG 56 1HH2 ARG 56 -1.292 11.218 12.322 385 2HH2 ARG 56 2HH2 ARG 56 -0.519 12.535 11.506 386 H ASN 57 H ASN 57 5.147 5.582 12.730 387 HA ASN 57 HA ASN 57 6.815 4.423 10.718 388 1HB ASN 57 1HB ASN 57 8.512 3.759 12.634 389 1HD2 ASN 57 1HD2 ASN 57 9.074 6.978 12.828 390 2HD2 ASN 57 2HD2 ASN 57 8.612 7.259 14.473 391 H ILE 58 H ILE 58 5.581 2.833 10.347 392 HA ILE 58 HA ILE 58 5.578 0.662 12.098 393 HB ILE 58 HB ILE 58 3.883 1.518 13.382 394 1HG1 ILE 58 1HG1 ILE 58 2.465 0.170 11.018 395 1HG2 ILE 58 1HG2 ILE 58 3.822 3.493 11.610 396 2HG2 ILE 58 2HG2 ILE 58 2.298 2.703 11.166 397 3HG2 ILE 58 3HG2 ILE 58 2.542 3.276 12.820 398 1HD1 ILE 58 1HD1 ILE 58 1.398 0.640 13.813 399 2HD1 ILE 58 2HD1 ILE 58 0.832 1.454 12.354 400 3HD1 ILE 58 3HD1 ILE 58 0.622 -0.289 12.531 401 H ASP 59 H ASP 59 4.761 -1.186 11.064 402 HA ASP 59 HA ASP 59 3.554 -0.715 8.503 403 1HB ASP 59 1HB ASP 59 6.040 -1.398 8.373 404 H VAL 60 H VAL 60 1.782 -1.563 8.528 405 HA VAL 60 HA VAL 60 1.067 -3.544 10.473 406 HB VAL 60 HB VAL 60 -0.829 -2.156 8.638 407 1HG1 VAL 60 1HG1 VAL 60 -2.392 -2.428 10.440 408 2HG1 VAL 60 2HG1 VAL 60 -1.620 -3.988 10.155 409 3HG1 VAL 60 3HG1 VAL 60 -1.117 -2.991 11.522 410 1HG2 VAL 60 1HG2 VAL 60 -0.622 -0.712 11.046 411 2HG2 VAL 60 2HG2 VAL 60 1.042 -0.970 10.476 412 3HG2 VAL 60 3HG2 VAL 60 -0.158 -0.184 9.429 413 H VAL 61 H VAL 61 -0.712 -5.140 9.708 414 HA VAL 61 HA VAL 61 0.666 -6.740 7.773 415 HB VAL 61 HB VAL 61 -1.656 -7.237 9.611 416 1HG1 VAL 61 1HG1 VAL 61 -2.102 -8.529 7.617 417 2HG1 VAL 61 2HG1 VAL 61 -0.457 -9.161 7.629 418 3HG1 VAL 61 3HG1 VAL 61 -1.577 -9.596 8.920 419 1HG2 VAL 61 1HG2 VAL 61 0.391 -7.218 10.774 420 2HG2 VAL 61 2HG2 VAL 61 0.010 -8.921 10.522 421 3HG2 VAL 61 3HG2 VAL 61 1.213 -8.127 9.506 422 H PHE 62 H PHE 62 0.149 -7.369 5.910 423 HA PHE 62 HA PHE 62 -2.197 -6.279 4.559 424 1HB PHE 62 1HB PHE 62 0.397 -7.300 3.405 425 HD1 PHE 62 HD1 PHE 62 -0.219 -4.671 1.520 426 HD2 PHE 62 HD2 PHE 62 0.565 -5.492 5.605 427 HE1 PHE 62 HE1 PHE 62 0.705 -2.401 1.799 428 HE2 PHE 62 HE2 PHE 62 1.479 -3.286 5.906 429 HZ PHE 62 HZ PHE 62 1.565 -1.695 3.999 430 H GLU 63 H GLU 63 -2.816 -7.488 2.654 431 HA GLU 63 HA GLU 63 -3.198 -10.333 3.284 432 1HB GLU 63 1HB GLU 63 -5.163 -8.777 3.672 433 1HG GLU 63 1HG GLU 63 -6.805 -10.093 2.403 434 H LEU 64 H LEU 64 -3.374 -11.637 1.584 435 HA LEU 64 HA LEU 64 -1.670 -11.203 -0.552 436 1HB LEU 64 1HB LEU 64 -2.592 -13.382 0.131 437 HG LEU 64 HG LEU 64 -1.844 -12.987 -2.308 438 1HD1 LEU 64 1HD1 LEU 64 -1.846 -15.222 -2.471 439 2HD1 LEU 64 2HD1 LEU 64 -2.622 -15.199 -0.887 440 3HD1 LEU 64 3HD1 LEU 64 -3.603 -15.321 -2.347 441 1HD2 LEU 64 1HD2 LEU 64 -3.393 -12.367 -3.777 442 2HD2 LEU 64 2HD2 LEU 64 -4.303 -13.838 -3.435 443 3HD2 LEU 64 3HD2 LEU 64 -4.619 -12.371 -2.510 444 H GLY 65 H GLY 65 -4.634 -10.031 0.385 445 1HA GLY 65 1HA GLY 65 -4.844 -8.193 -1.813 446 2HA GLY 65 2HA GLY 65 -6.211 -9.294 -1.713 447 H VAL 66 H VAL 66 -4.369 -6.850 0.004 448 HA VAL 66 HA VAL 66 -6.277 -6.706 2.140 449 HB VAL 66 HB VAL 66 -3.683 -6.644 2.266 450 1HG1 VAL 66 1HG1 VAL 66 -4.201 -4.168 0.969 451 2HG1 VAL 66 2HG1 VAL 66 -3.608 -3.817 2.595 452 3HG1 VAL 66 3HG1 VAL 66 -2.655 -4.829 1.513 453 1HG2 VAL 66 1HG2 VAL 66 -5.541 -4.978 3.941 454 2HG2 VAL 66 2HG2 VAL 66 -4.993 -6.630 4.230 455 3HG2 VAL 66 3HG2 VAL 66 -3.858 -5.286 4.373 456 H ASP 67 H ASP 67 -6.518 -4.379 3.108 457 HA ASP 67 HA ASP 67 -6.915 -2.377 1.122 458 1HB ASP 67 1HB ASP 67 -9.348 -2.535 2.720 459 H PHE 68 H PHE 68 -7.033 -0.388 1.796 460 HA PHE 68 HA PHE 68 -6.698 0.234 4.623 461 1HB PHE 68 1HB PHE 68 -4.956 1.062 2.305 462 HD1 PHE 68 HD1 PHE 68 -3.208 1.588 5.173 463 HD2 PHE 68 HD2 PHE 68 -4.677 -1.645 2.831 464 HE1 PHE 68 HE1 PHE 68 -1.463 0.128 6.106 465 HE2 PHE 68 HE2 PHE 68 -2.935 -3.113 3.763 466 HZ PHE 68 HZ PHE 68 -1.326 -2.228 5.401 467 H ALA 69 H ALA 69 -7.361 2.378 5.106 468 HA ALA 69 HA ALA 69 -8.120 4.081 3.012 469 1HB ALA 69 1HB ALA 69 -10.297 2.489 4.333 470 2HB ALA 69 2HB ALA 69 -10.598 3.985 3.444 471 3HB ALA 69 3HB ALA 69 -9.876 2.595 2.608 472 H TYR 70 H TYR 70 -7.198 5.654 3.935 473 HA TYR 70 HA TYR 70 -8.456 7.239 5.884 474 1HB TYR 70 1HB TYR 70 -6.378 7.335 7.327 475 HD1 TYR 70 HD1 TYR 70 -6.444 3.836 7.597 476 HD2 TYR 70 HD2 TYR 70 -4.342 7.031 5.740 477 HE1 TYR 70 HE1 TYR 70 -4.475 2.386 7.340 478 HE2 TYR 70 HE2 TYR 70 -2.371 5.592 5.473 479 HH TYR 70 HH TYR 70 -2.081 2.880 5.314 480 H SER 71 H SER 71 -7.072 9.326 6.112 481 HA SER 71 HA SER 71 -6.005 9.639 3.459 482 1HB SER 71 1HB SER 71 -7.799 11.112 3.970 483 HG SER 71 HG SER 71 -6.746 12.426 2.783 484 H LEU 72 H LEU 72 -4.041 9.174 3.360 485 HA LEU 72 HA LEU 72 -2.046 9.031 5.161 486 1HB LEU 72 1HB LEU 72 -1.742 9.949 2.301 487 HG LEU 72 HG LEU 72 -1.910 7.217 3.510 488 1HD1 LEU 72 1HD1 LEU 72 -3.801 7.352 2.337 489 2HD1 LEU 72 2HD1 LEU 72 -3.237 8.749 1.415 490 3HD1 LEU 72 3HD1 LEU 72 -2.779 7.119 0.920 491 1HD2 LEU 72 1HD2 LEU 72 -0.692 7.368 0.834 492 2HD2 LEU 72 2HD2 LEU 72 0.356 7.827 2.173 493 3HD2 LEU 72 3HD2 LEU 72 -0.404 6.238 2.154 494 H ALA 73 H ALA 73 -3.249 11.943 3.634 495 HA ALA 73 HA ALA 73 -1.165 13.552 4.906 496 1HB ALA 73 1HB ALA 73 -2.638 13.761 2.482 497 2HB ALA 73 2HB ALA 73 -2.937 15.197 3.460 498 3HB ALA 73 3HB ALA 73 -1.285 14.740 3.046 499 H ASP 74 H ASP 74 -4.750 13.586 4.646 500 HA ASP 74 HA ASP 74 -4.780 14.935 7.267 501 1HB ASP 74 1HB ASP 74 -6.533 15.506 4.874 502 H GLY 75 H GLY 75 -7.875 14.888 6.552 503 1HA GLY 75 1HA GLY 75 -8.759 13.117 8.415 504 2HA GLY 75 2HA GLY 75 -9.701 13.575 7.005 505 H THR 76 H THR 76 -10.021 12.102 5.381 506 HA THR 76 HA THR 76 -8.510 9.602 5.472 507 HB THR 76 HB THR 76 -10.734 8.344 5.233 508 HG1 THR 76 HG1 THR 76 -12.362 9.707 5.158 509 1HG2 THR 76 1HG2 THR 76 -9.464 7.967 7.192 510 2HG2 THR 76 2HG2 THR 76 -11.089 8.360 7.755 511 3HG2 THR 76 3HG2 THR 76 -9.816 9.578 7.819 512 H GLU 77 H GLU 77 -7.913 9.028 3.635 513 HA GLU 77 HA GLU 77 -9.533 8.895 1.336 514 1HB GLU 77 1HB GLU 77 -8.674 10.612 0.018 515 1HG GLU 77 1HG GLU 77 -6.501 10.993 2.038 516 H LEU 78 H LEU 78 -8.872 6.786 1.239 517 HA LEU 78 HA LEU 78 -6.509 6.294 -0.085 518 1HB LEU 78 1HB LEU 78 -5.326 6.668 1.925 519 HG LEU 78 HG LEU 78 -5.627 3.697 1.558 520 1HD1 LEU 78 1HD1 LEU 78 -3.054 4.904 0.979 521 2HD1 LEU 78 2HD1 LEU 78 -4.072 3.875 -0.029 522 3HD1 LEU 78 3HD1 LEU 78 -4.349 5.616 0.018 523 1HD2 LEU 78 1HD2 LEU 78 -4.960 4.110 3.845 524 2HD2 LEU 78 2HD2 LEU 78 -3.601 3.471 2.920 525 3HD2 LEU 78 3HD2 LEU 78 -3.678 5.192 3.301 526 H THR 79 H THR 79 -5.955 4.226 -0.386 527 HA THR 79 HA THR 79 -8.180 2.320 -0.481 528 HB THR 79 HB THR 79 -7.535 1.716 -2.530 529 HG1 THR 79 HG1 THR 79 -5.502 0.891 -1.548 530 1HG2 THR 79 1HG2 THR 79 -7.605 4.220 -2.422 531 2HG2 THR 79 2HG2 THR 79 -6.785 3.540 -3.832 532 3HG2 THR 79 3HG2 THR 79 -5.843 4.206 -2.489 533 H GLY 80 H GLY 80 -7.418 0.251 -0.927 534 1HA GLY 80 1HA GLY 80 -4.897 -0.395 -0.012 535 2HA GLY 80 2HA GLY 80 -6.149 -0.799 1.064 536 H THR 81 H THR 81 -4.159 -1.929 -0.865 537 HA THR 81 HA THR 81 -4.919 -4.423 -0.789 538 HB THR 81 HB THR 81 -4.975 -4.271 -3.648 539 HG1 THR 81 HG1 THR 81 -7.208 -3.738 -3.727 540 1HG2 THR 81 1HG2 THR 81 -5.929 -5.912 -1.470 541 2HG2 THR 81 2HG2 THR 81 -5.530 -6.350 -3.131 542 3HG2 THR 81 3HG2 THR 81 -7.137 -5.735 -2.742 543 H TRP 82 H TRP 82 -3.539 -5.681 -1.444 544 HA TRP 82 HA TRP 82 -1.339 -4.808 -2.980 545 1HB TRP 82 1HB TRP 82 -1.099 -5.491 -0.027 546 HD1 TRP 82 HD1 TRP 82 -2.209 -3.158 0.495 547 HE1 TRP 82 HE1 TRP 82 -1.537 -0.758 0.026 548 HE3 TRP 82 HE3 TRP 82 1.709 -4.077 -2.600 549 HZ2 TRP 82 HZ2 TRP 82 0.505 0.639 -1.468 550 HZ3 TRP 82 HZ3 TRP 82 3.018 -2.201 -3.504 551 HH2 TRP 82 HH2 TRP 82 2.389 0.101 -2.994 552 H THR 83 H THR 83 -1.523 -6.488 -4.418 553 HA THR 83 HA THR 83 -1.844 -9.194 -3.355 554 HB THR 83 HB THR 83 -2.739 -8.321 -6.081 555 HG1 THR 83 HG1 THR 83 -4.177 -7.192 -4.987 556 1HG2 THR 83 1HG2 THR 83 -2.512 -10.826 -4.915 557 2HG2 THR 83 2HG2 THR 83 -3.429 -10.418 -6.365 558 3HG2 THR 83 3HG2 THR 83 -4.229 -10.440 -4.794 559 H MET 84 H MET 84 0.144 -10.060 -3.423 560 HA MET 84 HA MET 84 1.160 -10.665 -5.973 561 1HB MET 84 1HB MET 84 3.414 -9.579 -5.536 562 1HG MET 84 1HG MET 84 3.460 -7.573 -4.402 563 1HE MET 84 1HE MET 84 1.720 -9.930 -0.901 564 2HE MET 84 2HE MET 84 1.058 -8.474 -1.646 565 3HE MET 84 3HE MET 84 0.995 -10.012 -2.512 566 H GLU 85 H GLU 85 3.365 -11.485 -5.881 567 HA GLU 85 HA GLU 85 3.570 -13.496 -3.782 568 1HB GLU 85 1HB GLU 85 3.480 -14.290 -6.119 569 1HG GLU 85 1HG GLU 85 6.286 -14.557 -5.061 570 H GLY 86 H GLY 86 6.141 -13.972 -3.385 571 1HA GLY 86 1HA GLY 86 7.134 -11.326 -2.656 572 2HA GLY 86 2HA GLY 86 7.812 -12.870 -2.129 573 H ASN 87 H ASN 87 7.785 -10.405 -4.351 574 HA ASN 87 HA ASN 87 10.254 -10.490 -5.416 575 1HB ASN 87 1HB ASN 87 9.717 -12.751 -6.324 576 1HD2 ASN 87 1HD2 ASN 87 8.741 -11.691 -9.244 577 2HD2 ASN 87 2HD2 ASN 87 10.269 -11.294 -9.947 578 H LYS 88 H LYS 88 6.946 -9.764 -5.441 579 HA LYS 88 HA LYS 88 7.426 -7.233 -6.710 580 1HB LYS 88 1HB LYS 88 6.254 -7.433 -8.615 581 1HG LYS 88 1HG LYS 88 4.105 -8.072 -7.664 582 1HD LYS 88 1HD LYS 88 4.545 -9.816 -6.176 583 1HE LYS 88 1HE LYS 88 6.515 -10.811 -7.177 584 1HZ LYS 88 1HZ LYS 88 4.893 -12.233 -9.172 585 2HZ LYS 88 2HZ LYS 88 6.562 -11.952 -9.146 586 3HZ LYS 88 3HZ LYS 88 5.499 -10.693 -9.529 587 H LEU 89 H LEU 89 5.580 -5.834 -6.686 588 HA LEU 89 HA LEU 89 3.549 -6.442 -4.680 589 1HB LEU 89 1HB LEU 89 5.333 -4.203 -5.096 590 HG LEU 89 HG LEU 89 3.565 -4.210 -2.801 591 1HD1 LEU 89 1HD1 LEU 89 4.824 -5.906 -1.618 592 2HD1 LEU 89 2HD1 LEU 89 4.045 -6.596 -3.045 593 3HD1 LEU 89 3HD1 LEU 89 5.768 -6.213 -3.073 594 1HD2 LEU 89 1HD2 LEU 89 5.166 -2.487 -2.902 595 2HD2 LEU 89 2HD2 LEU 89 5.700 -3.621 -1.664 596 3HD2 LEU 89 3HD2 LEU 89 6.458 -3.636 -3.256 597 H VAL 90 H VAL 90 1.420 -6.255 -5.348 598 HA VAL 90 HA VAL 90 0.712 -4.329 -7.260 599 HB VAL 90 HB VAL 90 1.528 -5.706 -8.975 600 1HG1 VAL 90 1HG1 VAL 90 1.893 -7.879 -8.699 601 2HG1 VAL 90 2HG1 VAL 90 0.979 -7.845 -7.190 602 3HG1 VAL 90 3HG1 VAL 90 0.154 -8.173 -8.715 603 1HG2 VAL 90 1HG2 VAL 90 -0.314 -5.838 -10.293 604 2HG2 VAL 90 2HG2 VAL 90 -1.268 -6.670 -9.061 605 3HG2 VAL 90 3HG2 VAL 90 -0.988 -4.929 -8.932 606 H GLY 91 H GLY 91 -0.810 -3.744 -5.952 607 1HA GLY 91 1HA GLY 91 -3.255 -5.237 -5.785 608 2HA GLY 91 2HA GLY 91 -2.340 -5.201 -4.284 609 H LYS 92 H LYS 92 -4.952 -3.917 -5.295 610 HA LYS 92 HA LYS 92 -4.463 -1.569 -3.890 611 1HB LYS 92 1HB LYS 92 -3.425 -0.648 -5.476 612 1HG LYS 92 1HG LYS 92 -5.820 0.356 -5.244 613 1HD LYS 92 1HD LYS 92 -7.249 -0.237 -6.836 614 1HE LYS 92 1HE LYS 92 -4.961 -1.167 -8.540 615 1HZ LYS 92 1HZ LYS 92 -7.868 -1.530 -8.663 616 2HZ LYS 92 2HZ LYS 92 -6.850 -2.762 -9.226 617 3HZ LYS 92 3HZ LYS 92 -6.763 -1.206 -9.907 618 H PHE 93 H PHE 93 -6.002 -0.096 -3.777 619 HA PHE 93 HA PHE 93 -8.733 -0.849 -4.383 620 1HB PHE 93 1HB PHE 93 -7.565 -0.818 -1.733 621 HD1 PHE 93 HD1 PHE 93 -8.567 -2.895 -3.535 622 HD2 PHE 93 HD2 PHE 93 -10.675 -0.443 -0.781 623 HE1 PHE 93 HE1 PHE 93 -10.312 -4.629 -3.333 624 HE2 PHE 93 HE2 PHE 93 -12.419 -2.166 -0.562 625 HZ PHE 93 HZ PHE 93 -12.243 -4.265 -1.843 626 H LYS 94 H LYS 94 -10.113 1.023 -3.456 627 HA LYS 94 HA LYS 94 -8.991 3.298 -4.743 628 1HB LYS 94 1HB LYS 94 -11.053 3.950 -5.281 629 1HG LYS 94 1HG LYS 94 -11.826 3.885 -2.904 630 1HD LYS 94 1HD LYS 94 -13.116 1.275 -3.626 631 1HE LYS 94 1HE LYS 94 -13.873 2.703 -1.691 632 1HZ LYS 94 1HZ LYS 94 -12.338 2.148 0.333 633 2HZ LYS 94 2HZ LYS 94 -12.050 3.517 -0.614 634 3HZ LYS 94 3HZ LYS 94 -11.118 2.122 -0.843 635 H ARG 95 H ARG 95 -9.308 5.374 -3.819 636 HA ARG 95 HA ARG 95 -8.456 5.521 -1.185 637 1HB ARG 95 1HB ARG 95 -8.489 7.817 -1.343 638 1HG ARG 95 1HG ARG 95 -10.489 7.910 -3.542 639 1HD ARG 95 1HD ARG 95 -10.766 10.156 -2.834 640 HE ARG 95 HE ARG 95 -8.862 10.484 -4.051 641 1HH1 ARG 95 1HH1 ARG 95 -7.967 9.100 -0.974 642 2HH1 ARG 95 2HH1 ARG 95 -6.271 9.350 -1.220 643 1HH2 ARG 95 1HH2 ARG 95 -6.643 10.804 -4.374 644 2HH2 ARG 95 2HH2 ARG 95 -5.520 10.312 -3.151 645 H VAL 96 H VAL 96 -9.525 7.485 0.091 646 HA VAL 96 HA VAL 96 -12.187 6.491 0.970 647 HB VAL 96 HB VAL 96 -10.365 8.240 2.612 648 1HG1 VAL 96 1HG1 VAL 96 -12.874 6.677 3.157 649 2HG1 VAL 96 2HG1 VAL 96 -11.791 7.173 4.457 650 3HG1 VAL 96 3HG1 VAL 96 -12.550 8.389 3.430 651 1HG2 VAL 96 1HG2 VAL 96 -10.269 5.347 2.152 652 2HG2 VAL 96 2HG2 VAL 96 -9.029 6.463 2.728 653 3HG2 VAL 96 3HG2 VAL 96 -10.246 5.846 3.845 654 H ASP 97 H ASP 97 -10.318 9.408 0.139 655 HA ASP 97 HA ASP 97 -12.185 11.284 1.055 656 1HB ASP 97 1HB ASP 97 -10.089 12.119 0.224 657 H ASN 98 H ASN 98 -12.117 9.168 -1.635 658 HA ASN 98 HA ASN 98 -14.949 9.400 -1.972 659 1HB ASN 98 1HB ASN 98 -14.183 11.235 -3.468 660 1HD2 ASN 98 1HD2 ASN 98 -13.961 9.410 -6.150 661 2HD2 ASN 98 2HD2 ASN 98 -15.636 9.209 -6.521 662 H GLY 99 H GLY 99 -12.835 8.421 -4.540 663 1HA GLY 99 1HA GLY 99 -12.316 5.825 -3.532 664 2HA GLY 99 2HA GLY 99 -13.665 5.791 -4.669 665 H LYS 100 H LYS 100 -10.281 6.048 -4.240 666 HA LYS 100 HA LYS 100 -10.049 6.065 -7.170 667 1HB LYS 100 1HB LYS 100 -7.665 6.978 -5.738 668 1HG LYS 100 1HG LYS 100 -9.094 8.365 -4.486 669 1HD LYS 100 1HD LYS 100 -10.419 9.122 -7.079 670 1HE LYS 100 1HE LYS 100 -10.786 10.260 -4.295 671 1HZ LYS 100 1HZ LYS 100 -12.002 11.277 -6.801 672 2HZ LYS 100 2HZ LYS 100 -12.442 11.604 -5.201 673 3HZ LYS 100 3HZ LYS 100 -12.778 10.091 -5.876 674 H GLU 101 H GLU 101 -9.814 4.007 -7.539 675 HA GLU 101 HA GLU 101 -7.795 2.547 -6.040 676 1HB GLU 101 1HB GLU 101 -8.974 0.605 -6.372 677 1HG GLU 101 1HG GLU 101 -10.288 1.816 -8.779 678 H LEU 102 H LEU 102 -5.926 2.547 -6.938 679 HA LEU 102 HA LEU 102 -5.319 1.401 -9.428 680 1HB LEU 102 1HB LEU 102 -5.174 4.407 -9.305 681 HG LEU 102 HG LEU 102 -7.145 3.720 -10.471 682 1HD1 LEU 102 1HD1 LEU 102 -5.147 4.231 -12.650 683 2HD1 LEU 102 2HD1 LEU 102 -6.826 4.761 -12.544 684 3HD1 LEU 102 3HD1 LEU 102 -5.607 5.476 -11.489 685 1HD2 LEU 102 1HD2 LEU 102 -5.506 2.001 -12.308 686 2HD2 LEU 102 2HD2 LEU 102 -6.213 1.359 -10.819 687 3HD2 LEU 102 3HD2 LEU 102 -7.256 2.026 -12.082 688 H ILE 103 H ILE 103 -3.796 0.241 -8.357 689 HA ILE 103 HA ILE 103 -1.360 1.559 -7.712 690 HB ILE 103 HB ILE 103 -3.235 0.846 -5.535 691 1HG1 ILE 103 1HG1 ILE 103 -0.906 2.725 -5.300 692 1HG2 ILE 103 1HG2 ILE 103 -1.049 0.690 -4.051 693 2HG2 ILE 103 2HG2 ILE 103 -1.852 -0.717 -4.761 694 3HG2 ILE 103 3HG2 ILE 103 -0.420 -0.032 -5.535 695 1HD1 ILE 103 1HD1 ILE 103 -2.167 2.548 -3.321 696 2HD1 ILE 103 2HD1 ILE 103 -2.653 4.062 -4.088 697 3HD1 ILE 103 3HD1 ILE 103 -3.693 2.640 -4.205 698 H ALA 104 H ALA 104 0.099 0.112 -8.542 699 HA ALA 104 HA ALA 104 0.243 -2.505 -7.445 700 1HB ALA 104 1HB ALA 104 -0.090 -3.286 -10.055 701 2HB ALA 104 2HB ALA 104 -1.184 -3.519 -8.686 702 3HB ALA 104 3HB ALA 104 -1.393 -2.132 -9.749 703 H VAL 105 H VAL 105 2.354 -2.303 -7.116 704 HA VAL 105 HA VAL 105 4.131 -2.827 -9.239 705 HB VAL 105 HB VAL 105 3.701 0.032 -8.628 706 1HG1 VAL 105 1HG1 VAL 105 5.908 -0.776 -7.408 707 2HG1 VAL 105 2HG1 VAL 105 6.578 -0.662 -9.036 708 3HG1 VAL 105 3HG1 VAL 105 5.851 0.757 -8.275 709 1HG2 VAL 105 1HG2 VAL 105 4.793 -1.656 -10.837 710 2HG2 VAL 105 2HG2 VAL 105 3.501 -0.456 -10.867 711 3HG2 VAL 105 3HG2 VAL 105 5.186 0.064 -10.806 712 H ARG 106 H ARG 106 6.236 -3.444 -8.441 713 HA ARG 106 HA ARG 106 6.213 -3.270 -5.558 714 1HB ARG 106 1HB ARG 106 7.025 -5.552 -6.889 715 1HG ARG 106 1HG ARG 106 7.595 -4.428 -4.179 716 1HD ARG 106 1HD ARG 106 7.506 -7.275 -4.973 717 HE ARG 106 HE ARG 106 7.802 -7.675 -2.710 718 1HH1 ARG 106 1HH1 ARG 106 8.372 -4.295 -3.312 719 2HH1 ARG 106 2HH1 ARG 106 7.873 -3.780 -1.707 720 1HH2 ARG 106 1HH2 ARG 106 7.388 -7.054 -0.497 721 2HH2 ARG 106 2HH2 ARG 106 7.454 -5.327 -0.085 722 H GLU 107 H GLU 107 7.965 -3.132 -4.553 723 HA GLU 107 HA GLU 107 9.803 -1.287 -5.766 724 1HB GLU 107 1HB GLU 107 10.316 -0.942 -3.208 725 1HG GLU 107 1HG GLU 107 7.616 -2.223 -3.218 726 H ILE 108 H ILE 108 11.222 -2.656 -6.708 727 HA ILE 108 HA ILE 108 13.019 -4.034 -5.047 728 HB ILE 108 HB ILE 108 11.075 -5.628 -6.664 729 1HG1 ILE 108 1HG1 ILE 108 12.094 -5.799 -3.836 730 1HG2 ILE 108 1HG2 ILE 108 12.497 -7.540 -6.649 731 2HG2 ILE 108 2HG2 ILE 108 13.384 -6.193 -7.361 732 3HG2 ILE 108 3HG2 ILE 108 13.716 -6.685 -5.702 733 1HD1 ILE 108 1HD1 ILE 108 10.098 -7.623 -3.931 734 2HD1 ILE 108 2HD1 ILE 108 10.910 -7.923 -5.468 735 3HD1 ILE 108 3HD1 ILE 108 11.818 -8.018 -3.959 736 H SER 109 H SER 109 14.959 -3.748 -6.026 737 HA SER 109 HA SER 109 15.492 -4.518 -8.711 738 1HB SER 109 1HB SER 109 15.470 -1.537 -8.142 739 HG SER 109 HG SER 109 14.208 -1.764 -10.240 740 H GLY 110 H GLY 110 17.368 -5.623 -8.039 741 1HA GLY 110 1HA GLY 110 19.375 -5.934 -6.853 742 2HA GLY 110 2HA GLY 110 19.782 -4.364 -7.567 743 H ASN 111 H ASN 111 20.207 -2.768 -6.118 744 HA ASN 111 HA ASN 111 18.751 -2.985 -3.559 745 1HB ASN 111 1HB ASN 111 20.514 -1.454 -2.622 746 1HD2 ASN 111 1HD2 ASN 111 21.751 0.182 -3.145 747 2HD2 ASN 111 2HD2 ASN 111 22.769 0.293 -4.536 748 H GLU 112 H GLU 112 16.956 -2.097 -4.471 749 HA GLU 112 HA GLU 112 16.676 0.700 -4.442 750 1HB GLU 112 1HB GLU 112 17.768 0.801 -6.547 751 1HG GLU 112 1HG GLU 112 14.820 0.667 -7.125 752 H LEU 113 H LEU 113 14.501 1.068 -3.964 753 HA LEU 113 HA LEU 113 12.673 -1.093 -4.798 754 1HB LEU 113 1HB LEU 113 12.874 0.457 -2.251 755 HG LEU 113 HG LEU 113 13.542 -1.486 -1.520 756 1HD1 LEU 113 1HD1 LEU 113 11.297 -1.620 -0.667 757 2HD1 LEU 113 2HD1 LEU 113 10.762 -2.427 -2.140 758 3HD1 LEU 113 3HD1 LEU 113 11.889 -3.236 -1.051 759 1HD2 LEU 113 1HD2 LEU 113 13.205 -3.660 -2.877 760 2HD2 LEU 113 2HD2 LEU 113 12.788 -2.542 -4.174 761 3HD2 LEU 113 3HD2 LEU 113 14.371 -2.445 -3.404 762 H ILE 114 H ILE 114 10.511 -0.417 -5.249 763 HA ILE 114 HA ILE 114 10.110 2.382 -5.992 764 HB ILE 114 HB ILE 114 9.071 0.310 -7.825 765 1HG1 ILE 114 1HG1 ILE 114 11.380 -0.437 -7.325 766 1HG2 ILE 114 1HG2 ILE 114 8.553 2.538 -8.391 767 2HG2 ILE 114 2HG2 ILE 114 10.199 3.092 -8.089 768 3HG2 ILE 114 3HG2 ILE 114 9.851 2.081 -9.494 769 1HD1 ILE 114 1HD1 ILE 114 13.300 0.813 -7.916 770 2HD1 ILE 114 2HD1 ILE 114 12.339 2.088 -8.666 771 3HD1 ILE 114 3HD1 ILE 114 12.314 1.885 -6.905 772 H GLN 115 H GLN 115 8.151 3.085 -5.583 773 HA GLN 115 HA GLN 115 6.034 1.102 -5.251 774 1HB GLN 115 1HB GLN 115 6.615 3.463 -3.465 775 1HG GLN 115 1HG GLN 115 6.434 0.475 -2.946 776 1HE2 GLN 115 1HE2 GLN 115 8.435 2.182 -0.922 777 2HE2 GLN 115 2HE2 GLN 115 7.394 2.320 0.452 778 H THR 116 H THR 116 4.844 1.435 -6.970 779 HA THR 116 HA THR 116 4.382 4.163 -7.830 780 HB THR 116 HB THR 116 3.368 1.728 -9.252 781 HG1 THR 116 HG1 THR 116 5.914 2.375 -8.824 782 1HG2 THR 116 1HG2 THR 116 3.239 3.135 -11.113 783 2HG2 THR 116 2HG2 THR 116 4.290 4.336 -10.361 784 3HG2 THR 116 3HG2 THR 116 2.643 4.110 -9.768 785 H TYR 117 H TYR 117 2.601 5.100 -6.969 786 HA TYR 117 HA TYR 117 0.312 3.325 -6.575 787 1HB TYR 117 1HB TYR 117 0.275 5.911 -5.120 788 HD1 TYR 117 HD1 TYR 117 0.555 3.394 -2.804 789 HD2 TYR 117 HD2 TYR 117 3.073 5.899 -5.158 790 HE1 TYR 117 HE1 TYR 117 2.367 3.110 -1.168 791 HE2 TYR 117 HE2 TYR 117 4.903 5.614 -3.525 792 HH TYR 117 HH TYR 117 5.181 5.037 -1.180 793 H THR 118 H THR 118 -1.430 3.832 -7.581 794 HA THR 118 HA THR 118 -1.623 6.403 -8.988 795 HB THR 118 HB THR 118 -2.977 3.855 -9.886 796 HG1 THR 118 HG1 THR 118 -0.586 4.406 -11.129 797 1HG2 THR 118 1HG2 THR 118 -2.704 4.916 -12.089 798 2HG2 THR 118 2HG2 THR 118 -1.815 6.265 -11.353 799 3HG2 THR 118 3HG2 THR 118 -3.535 6.013 -10.983 800 H TYR 119 H TYR 119 -3.950 7.120 -9.299 801 HA TYR 119 HA TYR 119 -6.037 5.969 -7.746 802 1HB TYR 119 1HB TYR 119 -6.243 7.665 -5.982 803 HD1 TYR 119 HD1 TYR 119 -2.662 8.022 -5.722 804 HD2 TYR 119 HD2 TYR 119 -6.234 9.965 -7.044 805 HE1 TYR 119 HE1 TYR 119 -1.509 10.223 -5.690 806 HE2 TYR 119 HE2 TYR 119 -5.085 12.130 -7.015 807 HH TYR 119 HH TYR 119 -1.637 12.378 -6.308 808 H GLU 120 H GLU 120 -7.482 6.313 -9.244 809 HA GLU 120 HA GLU 120 -8.863 7.437 -10.704 810 1HB GLU 120 1HB GLU 120 -7.323 9.966 -10.068 811 1HG GLU 120 1HG GLU 120 -9.890 9.129 -8.756 812 H GLY 121 H GLY 121 -5.693 9.043 -10.693 813 1HA GLY 121 1HA GLY 121 -4.647 7.491 -12.743 814 2HA GLY 121 2HA GLY 121 -5.229 8.998 -13.447 815 H VAL 122 H VAL 122 -2.820 7.459 -11.538 816 HA VAL 122 HA VAL 122 -0.958 9.488 -12.030 817 HB VAL 122 HB VAL 122 -1.746 10.790 -10.230 818 1HG1 VAL 122 1HG1 VAL 122 -1.857 9.142 -8.003 819 2HG1 VAL 122 2HG1 VAL 122 -3.218 9.842 -8.878 820 3HG1 VAL 122 3HG1 VAL 122 -2.644 8.225 -9.288 821 1HG2 VAL 122 1HG2 VAL 122 -0.099 10.275 -8.325 822 2HG2 VAL 122 2HG2 VAL 122 0.512 9.011 -9.394 823 3HG2 VAL 122 3HG2 VAL 122 0.552 10.697 -9.910 824 H GLU 123 H GLU 123 0.530 8.108 -12.687 825 HA GLU 123 HA GLU 123 1.190 5.875 -10.918 826 1HB GLU 123 1HB GLU 123 0.868 5.154 -13.170 827 1HG GLU 123 1HG GLU 123 3.827 5.477 -12.724 828 H ALA 124 H ALA 124 2.801 6.349 -9.483 829 HA ALA 124 HA ALA 124 5.115 7.896 -10.350 830 1HB ALA 124 1HB ALA 124 3.169 8.842 -8.238 831 2HB ALA 124 2HB ALA 124 4.821 9.463 -8.394 832 3HB ALA 124 3HB ALA 124 3.674 9.677 -9.717 833 H LYS 125 H LYS 125 6.953 7.599 -9.059 834 HA LYS 125 HA LYS 125 6.821 6.223 -6.526 835 1HB LYS 125 1HB LYS 125 8.507 4.569 -8.138 836 1HG LYS 125 1HG LYS 125 6.930 3.464 -9.550 837 1HD LYS 125 1HD LYS 125 6.757 6.413 -10.064 838 1HE LYS 125 1HE LYS 125 5.011 5.385 -11.247 839 1HZ LYS 125 1HZ LYS 125 5.366 3.108 -11.191 840 2HZ LYS 125 2HZ LYS 125 6.965 3.223 -11.747 841 3HZ LYS 125 3HZ LYS 125 5.680 3.466 -12.820 842 H ARG 126 H ARG 126 8.813 6.154 -5.376 843 HA ARG 126 HA ARG 126 11.261 7.038 -6.558 844 1HB ARG 126 1HB ARG 126 11.306 9.191 -6.112 845 1HG ARG 126 1HG ARG 126 11.121 8.439 -3.472 846 1HD ARG 126 1HD ARG 126 9.388 10.807 -3.796 847 HE ARG 126 HE ARG 126 10.692 9.669 -1.652 848 1HH1 ARG 126 1HH1 ARG 126 7.414 10.519 -2.463 849 2HH1 ARG 126 2HH1 ARG 126 6.912 10.679 -0.813 850 1HH2 ARG 126 1HH2 ARG 126 10.049 9.845 0.524 851 2HH2 ARG 126 2HH2 ARG 126 8.377 10.306 0.892 852 H ILE 127 H ILE 127 12.484 5.543 -5.633 853 HA ILE 127 HA ILE 127 12.837 5.605 -2.791 854 HB ILE 127 HB ILE 127 12.071 2.884 -3.724 855 1HG1 ILE 127 1HG1 ILE 127 9.975 5.034 -3.107 856 1HG2 ILE 127 1HG2 ILE 127 12.706 4.102 -1.301 857 2HG2 ILE 127 2HG2 ILE 127 10.988 3.726 -1.193 858 3HG2 ILE 127 3HG2 ILE 127 12.149 2.439 -1.555 859 1HD1 ILE 127 1HD1 ILE 127 9.459 2.105 -3.436 860 2HD1 ILE 127 2HD1 ILE 127 9.608 2.889 -1.862 861 3HD1 ILE 127 3HD1 ILE 127 8.335 3.383 -2.979 862 H PHE 128 H PHE 128 14.984 5.140 -2.482 863 HA PHE 128 HA PHE 128 16.098 3.079 -4.233 864 1HB PHE 128 1HB PHE 128 17.506 5.624 -3.402 865 HD1 PHE 128 HD1 PHE 128 17.350 7.293 -5.075 866 HD2 PHE 128 HD2 PHE 128 16.519 3.226 -6.007 867 HE1 PHE 128 HE1 PHE 128 16.590 7.978 -7.320 868 HE2 PHE 128 HE2 PHE 128 15.791 3.891 -8.276 869 HZ PHE 128 HZ PHE 128 15.827 6.271 -8.931 870 H LYS 129 H LYS 129 15.850 1.641 -3.067 871 HA LYS 129 HA LYS 129 16.341 1.717 -0.211 872 1HB LYS 129 1HB LYS 129 14.758 0.002 -2.035 873 1HG LYS 129 1HG LYS 129 14.117 2.023 -0.018 874 1HD LYS 129 1HD LYS 129 12.553 -0.470 -0.465 875 1HE LYS 129 1HE LYS 129 10.983 1.237 -0.514 876 1HZ LYS 129 1HZ LYS 129 11.150 3.153 0.595 877 2HZ LYS 129 2HZ LYS 129 12.735 2.705 0.981 878 3HZ LYS 129 3HZ LYS 129 11.479 2.394 2.071 879 H LYS 130 H LYS 130 16.782 -0.135 0.891 880 HA LYS 130 HA LYS 130 18.169 -1.685 1.671 881 1HB LYS 130 1HB LYS 130 16.724 -2.736 -0.197 882 1HG LYS 130 1HG LYS 130 18.994 -4.002 1.235 883 1HD LYS 130 1HD LYS 130 17.409 -5.139 -1.000 884 1HE LYS 130 1HE LYS 130 16.468 -6.306 0.912 885 1HZ LYS 130 1HZ LYS 130 18.766 -5.957 2.174 886 2HZ LYS 130 2HZ LYS 130 19.000 -7.543 1.636 887 3HZ LYS 130 3HZ LYS 130 17.662 -7.167 2.600 888 H GLU 131 H GLU 131 20.280 -2.492 1.805 889 HA GLU 131 HA GLU 131 22.548 -2.369 1.675 890 1HB GLU 131 1HB GLU 131 21.952 -1.696 -1.214 891 1HG GLU 131 1HG GLU 131 21.225 -3.946 -0.550 Start of MODEL 8 1 1H ALA 1 1H ALA 1 11.945 -14.053 9.113 2 2H ALA 1 2H ALA 1 13.456 -13.293 9.061 3 3H ALA 1 3H ALA 1 13.052 -14.451 7.896 4 HA ALA 1 HA ALA 1 11.506 -11.962 8.234 5 1HB ALA 1 1HB ALA 1 14.105 -11.824 7.661 6 2HB ALA 1 2HB ALA 1 13.487 -12.147 6.041 7 3HB ALA 1 3HB ALA 1 12.914 -10.742 6.940 8 H PHE 2 H PHE 2 12.005 -11.953 5.154 9 HA PHE 2 HA PHE 2 10.669 -14.250 4.153 10 1HB PHE 2 1HB PHE 2 8.731 -13.223 5.241 11 HD1 PHE 2 HD1 PHE 2 8.979 -15.271 3.239 12 HD2 PHE 2 HD2 PHE 2 7.310 -11.371 2.898 13 HE1 PHE 2 HE1 PHE 2 7.563 -16.044 1.381 14 HE2 PHE 2 HE2 PHE 2 5.892 -12.138 1.040 15 HZ PHE 2 HZ PHE 2 6.016 -14.473 0.279 16 H ASP 3 H ASP 3 11.611 -10.881 3.722 17 HA ASP 3 HA ASP 3 12.501 -11.539 1.021 18 1HB ASP 3 1HB ASP 3 10.612 -9.289 1.690 19 H GLY 4 H GLY 4 12.206 -8.899 3.404 20 1HA GLY 4 1HA GLY 4 14.829 -8.556 4.004 21 2HA GLY 4 2HA GLY 4 14.663 -7.735 2.448 22 H THR 5 H THR 5 15.259 -5.784 3.434 23 HA THR 5 HA THR 5 13.048 -4.237 4.242 24 HB THR 5 HB THR 5 13.713 -4.973 6.509 25 HG1 THR 5 HG1 THR 5 13.398 -2.578 5.569 26 1HG2 THR 5 1HG2 THR 5 15.932 -4.252 7.384 27 2HG2 THR 5 2HG2 THR 5 16.408 -3.825 5.741 28 3HG2 THR 5 3HG2 THR 5 16.060 -5.505 6.149 29 H TRP 6 H TRP 6 13.407 -2.245 3.549 30 HA TRP 6 HA TRP 6 15.995 -1.450 2.685 31 1HB TRP 6 1HB TRP 6 14.066 -1.310 0.553 32 HD1 TRP 6 HD1 TRP 6 15.804 -4.389 -0.191 33 HE1 TRP 6 HE1 TRP 6 14.248 -6.438 -0.052 34 HE3 TRP 6 HE3 TRP 6 11.930 -2.279 2.355 35 HZ2 TRP 6 HZ2 TRP 6 11.680 -7.041 0.926 36 HZ3 TRP 6 HZ3 TRP 6 9.945 -3.646 2.818 37 HH2 TRP 6 HH2 TRP 6 9.830 -5.974 2.132 38 H LYS 7 H LYS 7 15.633 1.125 2.378 39 HA LYS 7 HA LYS 7 12.910 1.817 2.947 40 1HB LYS 7 1HB LYS 7 13.983 2.753 5.237 41 1HG LYS 7 1HG LYS 7 14.960 0.843 6.373 42 1HD LYS 7 1HD LYS 7 17.159 0.751 4.927 43 1HE LYS 7 1HE LYS 7 16.136 3.372 6.008 44 1HZ LYS 7 1HZ LYS 7 18.818 2.277 5.484 45 2HZ LYS 7 2HZ LYS 7 18.588 3.450 6.680 46 3HZ LYS 7 3HZ LYS 7 18.191 3.793 5.072 47 H VAL 8 H VAL 8 12.519 3.805 2.335 48 HA VAL 8 HA VAL 8 14.124 5.962 3.093 49 HB VAL 8 HB VAL 8 14.568 6.513 0.536 50 1HG1 VAL 8 1HG1 VAL 8 16.278 6.218 2.434 51 2HG1 VAL 8 2HG1 VAL 8 16.378 4.505 1.958 52 3HG1 VAL 8 3HG1 VAL 8 16.848 5.792 0.817 53 1HG2 VAL 8 1HG2 VAL 8 15.102 4.565 -0.753 54 2HG2 VAL 8 2HG2 VAL 8 14.767 3.496 0.617 55 3HG2 VAL 8 3HG2 VAL 8 13.458 4.408 -0.143 56 H ASP 9 H ASP 9 12.381 5.081 0.245 57 HA ASP 9 HA ASP 9 10.461 7.202 0.745 58 1HB ASP 9 1HB ASP 9 12.429 6.929 -1.483 59 H ARG 10 H ARG 10 8.752 7.084 -1.151 60 HA ARG 10 HA ARG 10 8.533 4.817 -2.736 61 1HB ARG 10 1HB ARG 10 6.645 3.695 -1.414 62 1HG ARG 10 1HG ARG 10 7.615 4.253 1.139 63 1HD ARG 10 1HD ARG 10 5.359 5.369 1.421 64 HE ARG 10 HE ARG 10 4.556 2.922 0.282 65 1HH1 ARG 10 1HH1 ARG 10 6.679 4.191 2.740 66 2HH1 ARG 10 2HH1 ARG 10 6.595 2.770 3.726 67 1HH2 ARG 10 1HH2 ARG 10 4.438 1.052 1.580 68 2HH2 ARG 10 2HH2 ARG 10 5.323 0.987 3.067 69 H ASN 11 H ASN 11 7.999 6.975 -3.731 70 HA ASN 11 HA ASN 11 5.786 6.944 -4.948 71 1HB ASN 11 1HB ASN 11 4.448 7.039 -2.873 72 1HD2 ASN 11 1HD2 ASN 11 4.419 10.328 -4.039 73 2HD2 ASN 11 2HD2 ASN 11 3.029 10.184 -5.060 74 H GLU 12 H GLU 12 5.421 8.614 -6.484 75 HA GLU 12 HA GLU 12 6.905 11.054 -5.807 76 1HB GLU 12 1HB GLU 12 6.746 9.934 -8.561 77 1HG GLU 12 1HG GLU 12 9.099 11.293 -7.470 78 H ASN 13 H ASN 13 5.549 12.218 -5.223 79 HA ASN 13 HA ASN 13 2.968 12.564 -6.413 80 1HB ASN 13 1HB ASN 13 4.522 13.827 -4.148 81 1HD2 ASN 13 1HD2 ASN 13 1.173 13.297 -4.575 82 2HD2 ASN 13 2HD2 ASN 13 0.922 12.088 -3.377 83 H TYR 14 H TYR 14 6.027 13.605 -5.910 84 HA TYR 14 HA TYR 14 6.126 15.965 -7.261 85 1HB TYR 14 1HB TYR 14 8.039 15.456 -5.963 86 HD1 TYR 14 HD1 TYR 14 10.027 13.213 -7.480 87 HD2 TYR 14 HD2 TYR 14 8.239 16.969 -8.356 88 HE1 TYR 14 HE1 TYR 14 11.790 13.664 -9.137 89 HE2 TYR 14 HE2 TYR 14 9.973 17.423 -10.023 90 HH TYR 14 HH TYR 14 11.628 16.399 -11.295 91 H GLU 15 H GLU 15 5.403 12.771 -8.156 92 HA GLU 15 HA GLU 15 6.001 13.499 -10.935 93 1HB GLU 15 1HB GLU 15 6.388 11.323 -11.518 94 1HG GLU 15 1HG GLU 15 5.284 10.034 -9.078 95 H LYS 16 H LYS 16 3.688 12.434 -8.673 96 HA LYS 16 HA LYS 16 1.605 11.816 -10.513 97 1HB LYS 16 1HB LYS 16 1.008 13.008 -7.837 98 1HG LYS 16 1HG LYS 16 1.876 10.176 -7.949 99 1HD LYS 16 1HD LYS 16 2.026 11.647 -5.527 100 1HE LYS 16 1HE LYS 16 0.381 9.285 -6.361 101 1HZ LYS 16 1HZ LYS 16 1.083 9.971 -3.587 102 2HZ LYS 16 2HZ LYS 16 -0.141 8.947 -4.150 103 3HZ LYS 16 3HZ LYS 16 -0.304 10.626 -4.304 104 H PHE 17 H PHE 17 1.938 14.372 -8.313 105 HA PHE 17 HA PHE 17 -0.010 16.007 -9.611 106 1HB PHE 17 1HB PHE 17 2.220 16.817 -7.751 107 HD1 PHE 17 HD1 PHE 17 -0.704 17.632 -6.171 108 HD2 PHE 17 HD2 PHE 17 1.463 14.103 -7.232 109 HE1 PHE 17 HE1 PHE 17 -1.948 16.323 -4.484 110 HE2 PHE 17 HE2 PHE 17 0.211 12.856 -5.641 111 HZ PHE 17 HZ PHE 17 -1.442 13.901 -4.207 112 H MET 18 H MET 18 3.180 15.170 -9.829 113 HA MET 18 HA MET 18 3.975 17.409 -11.348 114 1HB MET 18 1HB MET 18 5.717 16.255 -10.313 115 1HG MET 18 1HG MET 18 5.527 15.283 -13.180 116 1HE MET 18 1HE MET 18 8.036 14.048 -14.425 117 2HE MET 18 2HE MET 18 8.062 15.797 -14.202 118 3HE MET 18 3HE MET 18 9.431 14.821 -13.672 119 H GLU 19 H GLU 19 2.384 14.417 -11.895 120 HA GLU 19 HA GLU 19 2.645 14.926 -14.770 121 1HB GLU 19 1HB GLU 19 2.096 12.393 -13.256 122 1HG GLU 19 1HG GLU 19 4.417 13.410 -14.845 123 H LYS 20 H LYS 20 0.601 15.583 -12.340 124 HA LYS 20 HA LYS 20 -1.627 15.541 -14.207 125 1HB LYS 20 1HB LYS 20 -3.130 14.235 -12.807 126 1HG LYS 20 1HG LYS 20 -0.711 13.631 -11.091 127 1HD LYS 20 1HD LYS 20 -2.248 11.741 -11.323 128 1HE LYS 20 1HE LYS 20 -4.275 12.922 -11.971 129 1HZ LYS 20 1HZ LYS 20 -5.556 13.812 -9.883 130 2HZ LYS 20 2HZ LYS 20 -4.524 14.817 -10.767 131 3HZ LYS 20 3HZ LYS 20 -3.992 14.126 -9.319 132 H MET 21 H MET 21 -1.018 15.916 -10.727 133 HA MET 21 HA MET 21 -3.066 17.481 -9.978 134 1HB MET 21 1HB MET 21 -1.349 16.755 -8.452 135 1HG MET 21 1HG MET 21 -0.979 18.631 -7.103 136 1HE MET 21 1HE MET 21 -2.659 19.942 -5.530 137 2HE MET 21 2HE MET 21 -2.971 21.105 -6.818 138 3HE MET 21 3HE MET 21 -4.319 20.340 -5.976 139 H GLY 22 H GLY 22 0.075 18.824 -10.787 140 1HA GLY 22 1HA GLY 22 -1.067 20.877 -12.490 141 2HA GLY 22 2HA GLY 22 -0.699 21.502 -10.888 142 H ILE 23 H ILE 23 1.639 19.965 -10.436 143 HA ILE 23 HA ILE 23 3.886 20.086 -10.722 144 HB ILE 23 HB ILE 23 4.651 19.334 -12.714 145 1HG1 ILE 23 1HG1 ILE 23 2.844 21.266 -14.197 146 1HG2 ILE 23 1HG2 ILE 23 2.627 18.040 -12.331 147 2HG2 ILE 23 2HG2 ILE 23 1.678 19.237 -13.221 148 3HG2 ILE 23 3HG2 ILE 23 2.885 18.270 -14.066 149 1HD1 ILE 23 1HD1 ILE 23 4.209 19.063 -15.202 150 2HD1 ILE 23 2HD1 ILE 23 3.526 20.409 -16.114 151 3HD1 ILE 23 3HD1 ILE 23 5.212 20.457 -15.601 152 H ASN 24 H ASN 24 1.997 22.625 -10.920 153 HA ASN 24 HA ASN 24 3.339 24.651 -12.262 154 1HB ASN 24 1HB ASN 24 1.763 24.844 -9.686 155 1HD2 ASN 24 1HD2 ASN 24 0.616 26.860 -11.967 156 2HD2 ASN 24 2HD2 ASN 24 -0.633 25.875 -12.641 157 H VAL 25 H VAL 25 3.693 23.667 -8.849 158 HA VAL 25 HA VAL 25 6.465 24.533 -8.910 159 HB VAL 25 HB VAL 25 6.221 25.860 -6.807 160 1HG1 VAL 25 1HG1 VAL 25 5.568 27.888 -7.888 161 2HG1 VAL 25 2HG1 VAL 25 6.396 26.883 -9.078 162 3HG1 VAL 25 3HG1 VAL 25 4.637 27.005 -9.099 163 1HG2 VAL 25 1HG2 VAL 25 4.271 25.518 -5.738 164 2HG2 VAL 25 2HG2 VAL 25 3.682 26.800 -6.794 165 3HG2 VAL 25 3HG2 VAL 25 3.409 25.110 -7.221 166 H VAL 26 H VAL 26 5.411 21.945 -8.692 167 HA VAL 26 HA VAL 26 5.587 20.029 -7.443 168 HB VAL 26 HB VAL 26 7.446 21.554 -5.623 169 1HG1 VAL 26 1HG1 VAL 26 7.216 19.378 -4.840 170 2HG1 VAL 26 2HG1 VAL 26 7.146 18.688 -6.467 171 3HG1 VAL 26 3HG1 VAL 26 8.675 19.303 -5.827 172 1HG2 VAL 26 1HG2 VAL 26 8.541 22.200 -7.477 173 2HG2 VAL 26 2HG2 VAL 26 9.115 20.532 -7.491 174 3HG2 VAL 26 3HG2 VAL 26 7.742 21.000 -8.494 175 H LYS 27 H LYS 27 3.283 20.931 -6.849 176 HA LYS 27 HA LYS 27 2.704 22.000 -4.339 177 1HB LYS 27 1HB LYS 27 1.030 20.075 -5.964 178 1HG LYS 27 1HG LYS 27 1.038 23.086 -5.965 179 1HD LYS 27 1HD LYS 27 -0.615 21.106 -7.527 180 1HE LYS 27 1HE LYS 27 -0.016 23.069 -8.856 181 1HZ LYS 27 1HZ LYS 27 -0.710 25.253 -8.176 182 2HZ LYS 27 2HZ LYS 27 0.345 24.623 -7.013 183 3HZ LYS 27 3HZ LYS 27 -1.320 24.659 -6.713 184 H ARG 28 H ARG 28 1.000 19.057 -4.325 185 HA ARG 28 HA ARG 28 1.870 18.230 -1.822 186 1HB ARG 28 1HB ARG 28 -0.057 17.240 -3.267 187 1HG ARG 28 1HG ARG 28 0.262 16.230 -1.123 188 1HD ARG 28 1HD ARG 28 2.461 14.582 -2.362 189 HE ARG 28 HE ARG 28 2.058 13.259 -0.562 190 1HH1 ARG 28 1HH1 ARG 28 1.308 16.546 0.328 191 2HH1 ARG 28 2HH1 ARG 28 0.895 16.145 1.961 192 1HH2 ARG 28 1HH2 ARG 28 1.523 12.724 1.585 193 2HH2 ARG 28 2HH2 ARG 28 1.018 13.971 2.676 194 H LYS 29 H LYS 29 2.815 17.097 -4.997 195 HA LYS 29 HA LYS 29 4.499 15.443 -5.331 196 1HB LYS 29 1HB LYS 29 5.858 18.092 -5.324 197 1HG LYS 29 1HG LYS 29 3.532 17.320 -6.730 198 1HD LYS 29 1HD LYS 29 5.081 16.260 -8.329 199 1HE LYS 29 1HE LYS 29 6.816 18.198 -7.912 200 1HZ LYS 29 1HZ LYS 29 5.199 19.853 -8.890 201 2HZ LYS 29 2HZ LYS 29 5.508 19.141 -10.393 202 3HZ LYS 29 3HZ LYS 29 6.767 19.874 -9.530 203 H LEU 30 H LEU 30 7.180 16.990 -4.609 204 HA LEU 30 HA LEU 30 8.855 16.610 -3.072 205 1HB LEU 30 1HB LEU 30 6.625 15.771 -1.198 206 HG LEU 30 HG LEU 30 6.188 18.093 -1.879 207 1HD1 LEU 30 1HD1 LEU 30 5.525 17.601 0.315 208 2HD1 LEU 30 2HD1 LEU 30 7.186 17.593 0.908 209 3HD1 LEU 30 3HD1 LEU 30 6.425 19.113 0.438 210 1HD2 LEU 30 1HD2 LEU 30 9.083 18.373 -1.290 211 2HD2 LEU 30 2HD2 LEU 30 8.100 19.137 -2.539 212 3HD2 LEU 30 3HD2 LEU 30 8.026 19.724 -0.877 213 H GLY 31 H GLY 31 7.011 14.789 -4.679 214 1HA GLY 31 1HA GLY 31 6.899 12.251 -3.774 215 2HA GLY 31 2HA GLY 31 6.969 12.717 -5.427 216 H ALA 32 H ALA 32 9.814 13.682 -3.833 217 HA ALA 32 HA ALA 32 11.127 11.138 -4.401 218 1HB ALA 32 1HB ALA 32 12.920 12.476 -5.682 219 2HB ALA 32 2HB ALA 32 11.417 12.041 -6.496 220 3HB ALA 32 3HB ALA 32 11.643 13.678 -5.878 221 H HIS 33 H HIS 33 10.808 12.302 -1.833 222 HA HIS 33 HA HIS 33 13.382 12.009 -0.859 223 1HB HIS 33 1HB HIS 33 14.111 14.202 -0.218 224 HD1 HIS 33 HD1 HIS 33 10.965 14.900 -2.240 225 HD2 HIS 33 HD2 HIS 33 13.353 16.604 0.697 226 HE1 HIS 33 HE1 HIS 33 9.868 17.088 -1.667 227 HE2 HIS 33 HE2 HIS 33 11.391 18.150 0.033 228 H ALA 34 H ALA 34 13.035 11.149 0.964 229 HA ALA 34 HA ALA 34 11.844 12.379 3.190 230 1HB ALA 34 1HB ALA 34 10.084 10.573 1.600 231 2HB ALA 34 2HB ALA 34 9.941 10.585 3.358 232 3HB ALA 34 3HB ALA 34 9.693 12.072 2.443 233 H ASN 35 H ASN 35 11.570 10.782 5.075 234 HA ASN 35 HA ASN 35 13.529 8.578 4.818 235 1HB ASN 35 1HB ASN 35 12.885 10.267 7.249 236 1HD2 ASN 35 1HD2 ASN 35 13.829 12.157 7.146 237 2HD2 ASN 35 2HD2 ASN 35 15.318 12.517 6.349 238 H LEU 36 H LEU 36 12.849 6.509 5.414 239 HA LEU 36 HA LEU 36 10.736 5.999 7.208 240 1HB LEU 36 1HB LEU 36 9.192 5.054 5.468 241 HG LEU 36 HG LEU 36 11.105 6.486 3.641 242 1HD1 LEU 36 1HD1 LEU 36 10.381 4.331 2.299 243 2HD1 LEU 36 2HD1 LEU 36 11.674 4.322 3.510 244 3HD1 LEU 36 3HD1 LEU 36 10.057 3.735 3.929 245 1HD2 LEU 36 1HD2 LEU 36 8.495 5.601 2.554 246 2HD2 LEU 36 2HD2 LEU 36 8.488 7.080 3.513 247 3HD2 LEU 36 3HD2 LEU 36 9.519 6.958 2.087 248 H LYS 37 H LYS 37 10.435 3.611 7.494 249 HA LYS 37 HA LYS 37 12.607 2.321 6.021 250 1HB LYS 37 1HB LYS 37 12.908 0.750 7.837 251 1HG LYS 37 1HG LYS 37 10.528 2.122 9.031 252 1HD LYS 37 1HD LYS 37 12.408 2.159 10.612 253 1HE LYS 37 1HE LYS 37 13.617 0.178 9.816 254 1HZ LYS 37 1HZ LYS 37 12.862 -1.985 10.155 255 2HZ LYS 37 2HZ LYS 37 11.508 -1.182 9.535 256 3HZ LYS 37 3HZ LYS 37 11.615 -1.504 11.192 257 H LEU 38 H LEU 38 12.248 0.113 5.114 258 HA LEU 38 HA LEU 38 9.382 -0.555 5.113 259 1HB LEU 38 1HB LEU 38 10.718 0.502 2.998 260 HG LEU 38 HG LEU 38 9.141 -0.592 1.426 261 1HD1 LEU 38 1HD1 LEU 38 8.761 -2.363 3.730 262 2HD1 LEU 38 2HD1 LEU 38 7.278 -1.839 2.931 263 3HD1 LEU 38 3HD1 LEU 38 8.533 -2.665 2.008 264 1HD2 LEU 38 1HD2 LEU 38 8.368 1.408 2.335 265 2HD2 LEU 38 2HD2 LEU 38 7.055 0.270 2.632 266 3HD2 LEU 38 3HD2 LEU 38 8.156 0.706 3.939 267 H THR 39 H THR 39 9.116 -2.516 5.949 268 HA THR 39 HA THR 39 11.111 -4.610 5.383 269 HB THR 39 HB THR 39 9.905 -4.006 8.107 270 HG1 THR 39 HG1 THR 39 11.526 -2.598 8.004 271 1HG2 THR 39 1HG2 THR 39 11.580 -5.745 8.868 272 2HG2 THR 39 2HG2 THR 39 11.907 -6.113 7.174 273 3HG2 THR 39 3HG2 THR 39 10.301 -6.398 7.845 274 H ILE 40 H ILE 40 9.864 -6.950 5.980 275 HA ILE 40 HA ILE 40 6.979 -6.726 6.052 276 HB ILE 40 HB ILE 40 6.525 -7.605 3.901 277 1HG1 ILE 40 1HG1 ILE 40 8.281 -9.181 3.719 278 1HG2 ILE 40 1HG2 ILE 40 8.586 -5.489 3.392 279 2HG2 ILE 40 2HG2 ILE 40 7.288 -5.970 2.299 280 3HG2 ILE 40 3HG2 ILE 40 6.904 -5.198 3.837 281 1HD1 ILE 40 1HD1 ILE 40 10.371 -7.853 2.447 282 2HD1 ILE 40 2HD1 ILE 40 10.043 -6.942 3.924 283 3HD1 ILE 40 3HD1 ILE 40 10.401 -8.668 4.010 284 H THR 41 H THR 41 6.527 -8.540 7.349 285 HA THR 41 HA THR 41 7.409 -11.088 6.493 286 HB THR 41 HB THR 41 9.544 -10.250 7.133 287 HG1 THR 41 HG1 THR 41 8.751 -12.529 7.714 288 1HG2 THR 41 1HG2 THR 41 9.912 -10.013 9.714 289 2HG2 THR 41 2HG2 THR 41 8.207 -9.557 9.680 290 3HG2 THR 41 3HG2 THR 41 9.383 -8.655 8.704 291 H GLN 42 H GLN 42 5.801 -12.486 7.137 292 HA GLN 42 HA GLN 42 5.290 -13.028 9.795 293 1HB GLN 42 1HB GLN 42 4.090 -11.096 10.222 294 1HG GLN 42 1HG GLN 42 2.026 -13.044 9.196 295 1HE2 GLN 42 1HE2 GLN 42 0.029 -12.241 9.296 296 2HE2 GLN 42 2HE2 GLN 42 -0.515 -10.952 10.303 297 H GLU 43 H GLU 43 3.174 -12.782 6.921 298 HA GLU 43 HA GLU 43 2.589 -15.586 7.358 299 1HB GLU 43 1HB GLU 43 1.002 -13.710 5.621 300 1HG GLU 43 1HG GLU 43 0.510 -14.305 8.525 301 H GLY 44 H GLY 44 2.279 -16.927 5.123 302 1HA GLY 44 1HA GLY 44 4.321 -15.635 3.456 303 2HA GLY 44 2HA GLY 44 3.987 -17.368 3.420 304 H ASN 45 H ASN 45 2.732 -14.325 2.907 305 HA ASN 45 HA ASN 45 2.215 -14.178 0.287 306 1HB ASN 45 1HB ASN 45 -0.357 -14.070 0.330 307 1HD2 ASN 45 1HD2 ASN 45 0.906 -14.697 3.335 308 2HD2 ASN 45 2HD2 ASN 45 -0.505 -15.326 4.097 309 H LYS 46 H LYS 46 3.306 -12.341 1.237 310 HA LYS 46 HA LYS 46 1.568 -10.231 1.952 311 1HB LYS 46 1HB LYS 46 1.451 -11.804 3.945 312 1HG LYS 46 1HG LYS 46 2.402 -9.007 4.410 313 1HD LYS 46 1HD LYS 46 1.561 -9.300 6.700 314 1HE LYS 46 1HE LYS 46 3.424 -10.457 7.572 315 1HZ LYS 46 1HZ LYS 46 4.965 -9.928 5.301 316 2HZ LYS 46 2HZ LYS 46 4.820 -9.001 6.707 317 3HZ LYS 46 3HZ LYS 46 3.774 -8.732 5.407 318 H PHE 47 H PHE 47 2.777 -8.357 2.846 319 HA PHE 47 HA PHE 47 5.637 -8.460 2.846 320 1HB PHE 47 1HB PHE 47 4.244 -6.637 0.834 321 HD1 PHE 47 HD1 PHE 47 3.258 -8.714 -0.234 322 HD2 PHE 47 HD2 PHE 47 7.441 -7.983 0.020 323 HE1 PHE 47 HE1 PHE 47 3.643 -10.332 -2.036 324 HE2 PHE 47 HE2 PHE 47 7.837 -9.604 -1.789 325 HZ PHE 47 HZ PHE 47 5.935 -10.782 -2.822 326 H THR 48 H THR 48 5.508 -7.708 4.984 327 HA THR 48 HA THR 48 4.767 -4.962 5.230 328 HB THR 48 HB THR 48 2.603 -6.196 5.029 329 HG1 THR 48 HG1 THR 48 3.401 -4.374 7.053 330 1HG2 THR 48 1HG2 THR 48 3.741 -7.602 7.187 331 2HG2 THR 48 2HG2 THR 48 2.114 -7.774 6.482 332 3HG2 THR 48 3HG2 THR 48 2.379 -6.664 7.826 333 H VAL 49 H VAL 49 6.257 -4.276 6.438 334 HA VAL 49 HA VAL 49 6.181 -4.679 9.185 335 HB VAL 49 HB VAL 49 8.622 -5.765 7.756 336 1HG1 VAL 49 1HG1 VAL 49 8.189 -4.919 10.613 337 2HG1 VAL 49 2HG1 VAL 49 9.441 -6.084 10.173 338 3HG1 VAL 49 3HG1 VAL 49 9.469 -4.457 9.486 339 1HG2 VAL 49 1HG2 VAL 49 7.652 -7.390 9.934 340 2HG2 VAL 49 2HG2 VAL 49 6.408 -7.159 8.708 341 3HG2 VAL 49 3HG2 VAL 49 7.984 -7.822 8.247 342 H LYS 50 H LYS 50 6.349 -2.264 9.398 343 HA LYS 50 HA LYS 50 8.928 -1.308 8.667 344 1HB LYS 50 1HB LYS 50 7.692 0.374 6.962 345 1HG LYS 50 1HG LYS 50 6.356 -2.287 6.607 346 1HD LYS 50 1HD LYS 50 6.216 0.186 4.906 347 1HE LYS 50 1HE LYS 50 4.952 -2.539 4.639 348 1HZ LYS 50 1HZ LYS 50 5.146 -2.121 2.463 349 2HZ LYS 50 2HZ LYS 50 5.506 -0.484 2.687 350 3HZ LYS 50 3HZ LYS 50 3.897 -1.007 2.710 351 H GLU 51 H GLU 51 9.137 -0.062 10.521 352 HA GLU 51 HA GLU 51 6.943 1.903 11.034 353 1HB GLU 51 1HB GLU 51 8.940 0.817 13.046 354 1HG GLU 51 1HG GLU 51 6.977 -0.568 13.878 355 H SER 52 H SER 52 8.146 3.493 9.610 356 HA SER 52 HA SER 52 9.640 5.239 11.195 357 1HB SER 52 1HB SER 52 11.762 4.701 10.883 358 HG SER 52 HG SER 52 12.131 4.013 8.407 359 H SER 53 H SER 53 9.352 7.209 10.480 360 HA SER 53 HA SER 53 9.607 8.049 7.856 361 1HB SER 53 1HB SER 53 6.730 7.814 8.727 362 HG SER 53 HG SER 53 7.627 7.048 6.220 363 H ASN 54 H ASN 54 10.697 9.787 8.434 364 HA ASN 54 HA ASN 54 11.100 11.909 9.128 365 1HB ASN 54 1HB ASN 54 8.253 11.876 10.146 366 1HD2 ASN 54 1HD2 ASN 54 8.904 14.546 8.408 367 2HD2 ASN 54 2HD2 ASN 54 8.332 14.044 6.856 368 H PHE 55 H PHE 55 9.112 10.281 11.661 369 HA PHE 55 HA PHE 55 11.395 10.500 13.476 370 1HB PHE 55 1HB PHE 55 8.664 11.635 14.122 371 HD1 PHE 55 HD1 PHE 55 11.550 13.029 15.668 372 HD2 PHE 55 HD2 PHE 55 9.107 13.236 12.189 373 HE1 PHE 55 HE1 PHE 55 12.412 15.285 15.202 374 HE2 PHE 55 HE2 PHE 55 9.972 15.489 11.712 375 HZ PHE 55 HZ PHE 55 11.627 16.516 13.219 376 H ARG 56 H ARG 56 7.931 9.788 13.817 377 HA ARG 56 HA ARG 56 8.640 7.083 14.765 378 1HB ARG 56 1HB ARG 56 7.738 8.482 16.582 379 1HG ARG 56 1HG ARG 56 5.748 6.420 15.654 380 1HD ARG 56 1HD ARG 56 5.136 6.279 18.029 381 HE ARG 56 HE ARG 56 4.401 8.433 16.387 382 1HH1 ARG 56 1HH1 ARG 56 4.347 7.473 19.736 383 2HH1 ARG 56 2HH1 ARG 56 2.950 8.421 20.119 384 1HH2 ARG 56 1HH2 ARG 56 2.562 9.686 16.883 385 2HH2 ARG 56 2HH2 ARG 56 1.934 9.679 18.497 386 H ASN 57 H ASN 57 7.532 5.356 13.828 387 HA ASN 57 HA ASN 57 5.135 5.728 12.386 388 1HB ASN 57 1HB ASN 57 7.634 6.067 10.929 389 1HD2 ASN 57 1HD2 ASN 57 6.868 8.157 10.880 390 2HD2 ASN 57 2HD2 ASN 57 5.490 8.633 9.951 391 H ILE 58 H ILE 58 4.604 3.754 11.130 392 HA ILE 58 HA ILE 58 5.860 1.355 11.567 393 HB ILE 58 HB ILE 58 5.369 1.383 13.751 394 1HG1 ILE 58 1HG1 ILE 58 3.156 -0.119 12.273 395 1HG2 ILE 58 1HG2 ILE 58 3.880 3.359 13.663 396 2HG2 ILE 58 2HG2 ILE 58 2.549 2.300 13.180 397 3HG2 ILE 58 3HG2 ILE 58 3.297 2.106 14.767 398 1HD1 ILE 58 1HD1 ILE 58 2.708 -1.429 14.129 399 2HD1 ILE 58 2HD1 ILE 58 4.178 -0.928 14.969 400 3HD1 ILE 58 3HD1 ILE 58 2.815 0.185 14.835 401 H ASP 59 H ASP 59 5.020 -0.177 10.354 402 HA ASP 59 HA ASP 59 2.369 0.141 9.368 403 1HB ASP 59 1HB ASP 59 3.802 1.684 8.013 404 H VAL 60 H VAL 60 2.042 -1.886 10.148 405 HA VAL 60 HA VAL 60 3.324 -4.033 8.583 406 HB VAL 60 HB VAL 60 3.404 -5.438 10.635 407 1HG1 VAL 60 1HG1 VAL 60 5.155 -3.446 9.830 408 2HG1 VAL 60 2HG1 VAL 60 5.022 -3.226 11.575 409 3HG1 VAL 60 3HG1 VAL 60 5.518 -4.786 10.918 410 1HG2 VAL 60 1HG2 VAL 60 3.241 -3.082 12.411 411 2HG2 VAL 60 2HG2 VAL 60 1.708 -3.673 11.766 412 3HG2 VAL 60 3HG2 VAL 60 2.748 -4.753 12.695 413 H VAL 61 H VAL 61 1.411 -4.287 7.353 414 HA VAL 61 HA VAL 61 -0.467 -6.112 8.337 415 HB VAL 61 HB VAL 61 -2.508 -4.536 7.774 416 1HG1 VAL 61 1HG1 VAL 61 -1.352 -5.489 10.132 417 2HG1 VAL 61 2HG1 VAL 61 -1.746 -3.800 10.446 418 3HG1 VAL 61 3HG1 VAL 61 -3.003 -4.912 9.904 419 1HG2 VAL 61 1HG2 VAL 61 -0.666 -2.673 7.392 420 2HG2 VAL 61 2HG2 VAL 61 -2.258 -2.288 8.043 421 3HG2 VAL 61 3HG2 VAL 61 -0.880 -2.458 9.130 422 H PHE 62 H PHE 62 -0.279 -7.353 6.504 423 HA PHE 62 HA PHE 62 -1.427 -6.225 4.076 424 1HB PHE 62 1HB PHE 62 1.353 -7.322 4.195 425 HD1 PHE 62 HD1 PHE 62 1.276 -4.911 5.257 426 HD2 PHE 62 HD2 PHE 62 0.726 -5.790 1.145 427 HE1 PHE 62 HE1 PHE 62 1.992 -2.641 4.705 428 HE2 PHE 62 HE2 PHE 62 1.444 -3.507 0.554 429 HZ PHE 62 HZ PHE 62 2.083 -1.920 2.334 430 H GLU 63 H GLU 63 -1.739 -7.733 2.402 431 HA GLU 63 HA GLU 63 -2.260 -10.477 3.244 432 1HB GLU 63 1HB GLU 63 -4.296 -8.939 3.609 433 1HG GLU 63 1HG GLU 63 -4.704 -11.063 1.513 434 H LEU 64 H LEU 64 -2.760 -11.784 1.410 435 HA LEU 64 HA LEU 64 -0.992 -11.549 -0.704 436 1HB LEU 64 1HB LEU 64 -2.575 -13.498 -0.027 437 HG LEU 64 HG LEU 64 -0.997 -13.463 -2.098 438 1HD1 LEU 64 1HD1 LEU 64 -1.399 -15.643 -2.033 439 2HD1 LEU 64 2HD1 LEU 64 -2.840 -15.323 -1.070 440 3HD1 LEU 64 3HD1 LEU 64 -2.957 -15.414 -2.827 441 1HD2 LEU 64 1HD2 LEU 64 -2.473 -13.783 -4.187 442 2HD2 LEU 64 2HD2 LEU 64 -3.682 -12.872 -3.284 443 3HD2 LEU 64 3HD2 LEU 64 -2.118 -12.143 -3.646 444 H GLY 65 H GLY 65 -3.766 -9.933 0.171 445 1HA GLY 65 1HA GLY 65 -3.666 -8.008 -1.953 446 2HA GLY 65 2HA GLY 65 -5.126 -8.998 -2.003 447 H VAL 66 H VAL 66 -3.205 -6.871 0.113 448 HA VAL 66 HA VAL 66 -5.420 -6.673 1.973 449 HB VAL 66 HB VAL 66 -2.885 -7.007 2.467 450 1HG1 VAL 66 1HG1 VAL 66 -2.820 -4.520 1.296 451 2HG1 VAL 66 2HG1 VAL 66 -2.665 -4.177 3.031 452 3HG1 VAL 66 3HG1 VAL 66 -1.523 -5.274 2.248 453 1HG2 VAL 66 1HG2 VAL 66 -4.724 -5.242 4.072 454 2HG2 VAL 66 2HG2 VAL 66 -4.518 -6.991 4.207 455 3HG2 VAL 66 3HG2 VAL 66 -3.210 -5.907 4.688 456 H ASP 67 H ASP 67 -6.388 -4.772 2.691 457 HA ASP 67 HA ASP 67 -6.100 -2.534 0.903 458 1HB ASP 67 1HB ASP 67 -8.254 -1.733 1.583 459 H PHE 68 H PHE 68 -6.214 -0.491 1.491 460 HA PHE 68 HA PHE 68 -5.245 0.332 4.121 461 1HB PHE 68 1HB PHE 68 -4.141 0.905 1.376 462 HD1 PHE 68 HD1 PHE 68 -1.805 2.137 3.382 463 HD2 PHE 68 HD2 PHE 68 -3.622 -1.639 2.648 464 HE1 PHE 68 HE1 PHE 68 0.208 1.011 4.229 465 HE2 PHE 68 HE2 PHE 68 -1.610 -2.773 3.496 466 HZ PHE 68 HZ PHE 68 0.305 -1.445 4.289 467 H ALA 69 H ALA 69 -5.965 2.473 4.661 468 HA ALA 69 HA ALA 69 -7.235 3.997 2.663 469 1HB ALA 69 1HB ALA 69 -8.982 2.355 4.459 470 2HB ALA 69 2HB ALA 69 -9.569 3.807 3.645 471 3HB ALA 69 3HB ALA 69 -8.953 2.447 2.683 472 H TYR 70 H TYR 70 -6.239 5.659 3.266 473 HA TYR 70 HA TYR 70 -7.235 7.396 5.259 474 1HB TYR 70 1HB TYR 70 -4.431 7.429 5.819 475 HD1 TYR 70 HD1 TYR 70 -5.790 5.206 8.154 476 HD2 TYR 70 HD2 TYR 70 -3.735 5.287 4.430 477 HE1 TYR 70 HE1 TYR 70 -5.003 2.910 8.545 478 HE2 TYR 70 HE2 TYR 70 -2.946 2.989 4.808 479 HH TYR 70 HH TYR 70 -2.528 1.498 6.841 480 H SER 71 H SER 71 -6.310 9.582 4.949 481 HA SER 71 HA SER 71 -5.502 9.664 2.177 482 1HB SER 71 1HB SER 71 -7.460 10.921 2.818 483 HG SER 71 HG SER 71 -6.898 12.270 1.371 484 H LEU 72 H LEU 72 -3.502 9.435 1.960 485 HA LEU 72 HA LEU 72 -1.375 9.932 3.579 486 1HB LEU 72 1HB LEU 72 -1.458 10.108 0.569 487 HG LEU 72 HG LEU 72 -2.201 7.910 1.353 488 1HD1 LEU 72 1HD1 LEU 72 -0.880 6.670 -0.045 489 2HD1 LEU 72 2HD1 LEU 72 -0.470 8.296 -0.580 490 3HD1 LEU 72 3HD1 LEU 72 0.613 7.428 0.507 491 1HD2 LEU 72 1HD2 LEU 72 -1.440 7.114 3.279 492 2HD2 LEU 72 2HD2 LEU 72 0.115 6.822 2.501 493 3HD2 LEU 72 3HD2 LEU 72 -0.179 8.346 3.340 494 H ALA 73 H ALA 73 -3.108 12.230 1.577 495 HA ALA 73 HA ALA 73 -1.333 14.359 2.583 496 1HB ALA 73 1HB ALA 73 -1.703 15.602 0.540 497 2HB ALA 73 2HB ALA 73 -1.063 14.001 0.165 498 3HB ALA 73 3HB ALA 73 -2.779 14.341 -0.061 499 H ASP 74 H ASP 74 -4.598 13.954 1.165 500 HA ASP 74 HA ASP 74 -5.607 16.256 2.536 501 1HB ASP 74 1HB ASP 74 -7.054 14.064 1.033 502 H GLY 75 H GLY 75 -8.244 14.830 3.076 503 1HA GLY 75 1HA GLY 75 -7.463 13.762 5.718 504 2HA GLY 75 2HA GLY 75 -8.968 14.619 5.398 505 H THR 76 H THR 76 -7.518 11.626 5.723 506 HA THR 76 HA THR 76 -8.124 9.468 5.342 507 HB THR 76 HB THR 76 -10.998 10.365 5.448 508 HG1 THR 76 HG1 THR 76 -10.168 11.512 7.133 509 1HG2 THR 76 1HG2 THR 76 -11.432 8.276 6.262 510 2HG2 THR 76 2HG2 THR 76 -9.865 8.145 7.063 511 3HG2 THR 76 3HG2 THR 76 -9.989 7.901 5.321 512 H GLU 77 H GLU 77 -7.439 9.083 3.373 513 HA GLU 77 HA GLU 77 -9.322 8.556 1.316 514 1HB GLU 77 1HB GLU 77 -9.187 10.785 0.822 515 1HG GLU 77 1HG GLU 77 -7.162 9.330 -0.775 516 H LEU 78 H LEU 78 -8.502 6.497 1.109 517 HA LEU 78 HA LEU 78 -6.355 6.226 -0.564 518 1HB LEU 78 1HB LEU 78 -4.879 6.680 1.230 519 HG LEU 78 HG LEU 78 -4.940 3.704 0.838 520 1HD1 LEU 78 1HD1 LEU 78 -4.324 5.571 -0.985 521 2HD1 LEU 78 2HD1 LEU 78 -2.759 5.422 -0.187 522 3HD1 LEU 78 3HD1 LEU 78 -3.520 4.004 -0.908 523 1HD2 LEU 78 1HD2 LEU 78 -3.314 5.389 2.619 524 2HD2 LEU 78 2HD2 LEU 78 -3.688 3.667 2.708 525 3HD2 LEU 78 3HD2 LEU 78 -2.415 4.238 1.630 526 H THR 79 H THR 79 -5.644 4.087 -0.895 527 HA THR 79 HA THR 79 -7.817 2.129 -0.615 528 HB THR 79 HB THR 79 -7.646 1.695 -2.780 529 HG1 THR 79 HG1 THR 79 -5.557 0.684 -2.282 530 1HG2 THR 79 1HG2 THR 79 -7.374 4.254 -2.541 531 2HG2 THR 79 2HG2 THR 79 -7.100 3.523 -4.123 532 3HG2 THR 79 3HG2 THR 79 -5.728 3.980 -3.107 533 H GLY 80 H GLY 80 -7.196 0.037 -0.972 534 1HA GLY 80 1HA GLY 80 -4.524 -0.584 -0.837 535 2HA GLY 80 2HA GLY 80 -5.337 -0.956 0.600 536 H THR 81 H THR 81 -3.956 -2.309 -1.448 537 HA THR 81 HA THR 81 -4.905 -4.768 -1.071 538 HB THR 81 HB THR 81 -5.272 -4.366 -3.980 539 HG1 THR 81 HG1 THR 81 -7.547 -4.206 -3.576 540 1HG2 THR 81 1HG2 THR 81 -6.462 -6.280 -1.990 541 2HG2 THR 81 2HG2 THR 81 -5.069 -6.600 -3.024 542 3HG2 THR 81 3HG2 THR 81 -6.661 -6.348 -3.741 543 H TRP 82 H TRP 82 -3.489 -6.207 -1.836 544 HA TRP 82 HA TRP 82 -1.467 -5.256 -3.627 545 1HB TRP 82 1HB TRP 82 -0.816 -6.266 -0.844 546 HD1 TRP 82 HD1 TRP 82 -2.196 -4.091 0.046 547 HE1 TRP 82 HE1 TRP 82 -1.550 -1.632 0.124 548 HE3 TRP 82 HE3 TRP 82 1.722 -4.263 -3.153 549 HZ2 TRP 82 HZ2 TRP 82 0.467 0.091 -1.041 550 HZ3 TRP 82 HZ3 TRP 82 2.984 -2.221 -3.642 551 HH2 TRP 82 HH2 TRP 82 2.364 -0.102 -2.628 552 H THR 83 H THR 83 -1.968 -6.799 -5.123 553 HA THR 83 HA THR 83 -1.680 -9.604 -4.297 554 HB THR 83 HB THR 83 -3.264 -9.865 -6.407 555 HG1 THR 83 HG1 THR 83 -3.258 -7.279 -6.242 556 1HG2 THR 83 1HG2 THR 83 -4.256 -10.894 -4.657 557 2HG2 THR 83 2HG2 THR 83 -5.200 -9.407 -4.532 558 3HG2 THR 83 3HG2 THR 83 -3.773 -9.639 -3.517 559 H MET 84 H MET 84 0.469 -9.624 -5.019 560 HA MET 84 HA MET 84 0.833 -9.290 -7.877 561 1HB MET 84 1HB MET 84 3.225 -9.357 -7.277 562 1HG MET 84 1HG MET 84 3.900 -8.585 -5.167 563 1HE MET 84 1HE MET 84 0.862 -10.961 -4.744 564 2HE MET 84 2HE MET 84 1.570 -12.270 -3.790 565 3HE MET 84 3HE MET 84 1.450 -10.645 -3.106 566 H GLU 85 H GLU 85 2.744 -10.197 -8.561 567 HA GLU 85 HA GLU 85 2.771 -13.085 -8.355 568 1HB GLU 85 1HB GLU 85 2.451 -12.113 -10.618 569 1HG GLU 85 1HG GLU 85 5.268 -13.127 -10.291 570 H GLY 86 H GLY 86 5.328 -13.742 -8.593 571 1HA GLY 86 1HA GLY 86 6.590 -12.149 -6.499 572 2HA GLY 86 2HA GLY 86 7.137 -13.726 -7.059 573 H ASN 87 H ASN 87 7.337 -10.405 -7.318 574 HA ASN 87 HA ASN 87 9.768 -9.939 -8.301 575 1HB ASN 87 1HB ASN 87 7.905 -10.497 -10.604 576 1HD2 ASN 87 1HD2 ASN 87 8.549 -12.236 -11.658 577 2HD2 ASN 87 2HD2 ASN 87 10.122 -12.947 -11.587 578 H LYS 88 H LYS 88 6.584 -9.134 -7.704 579 HA LYS 88 HA LYS 88 7.155 -6.332 -7.419 580 1HB LYS 88 1HB LYS 88 5.825 -5.457 -9.087 581 1HG LYS 88 1HG LYS 88 3.703 -6.562 -8.639 582 1HD LYS 88 1HD LYS 88 4.376 -8.862 -8.225 583 1HE LYS 88 1HE LYS 88 6.193 -9.141 -9.752 584 1HZ LYS 88 1HZ LYS 88 5.057 -7.821 -11.603 585 2HZ LYS 88 2HZ LYS 88 4.362 -9.298 -12.049 586 3HZ LYS 88 3HZ LYS 88 6.049 -9.127 -12.030 587 H LEU 89 H LEU 89 5.168 -5.220 -6.558 588 HA LEU 89 HA LEU 89 3.448 -7.103 -5.205 589 1HB LEU 89 1HB LEU 89 4.800 -4.692 -4.457 590 HG LEU 89 HG LEU 89 4.848 -6.484 -3.038 591 1HD1 LEU 89 1HD1 LEU 89 3.023 -5.282 -1.203 592 2HD1 LEU 89 2HD1 LEU 89 4.784 -5.162 -1.266 593 3HD1 LEU 89 3HD1 LEU 89 3.791 -4.018 -2.167 594 1HD2 LEU 89 1HD2 LEU 89 3.135 -7.869 -2.420 595 2HD2 LEU 89 2HD2 LEU 89 1.924 -6.593 -2.447 596 3HD2 LEU 89 3HD2 LEU 89 2.478 -7.318 -3.971 597 H VAL 90 H VAL 90 1.187 -7.114 -6.035 598 HA VAL 90 HA VAL 90 0.450 -4.456 -7.022 599 HB VAL 90 HB VAL 90 -0.477 -5.403 -9.136 600 1HG1 VAL 90 1HG1 VAL 90 1.386 -4.765 -10.248 601 2HG1 VAL 90 2HG1 VAL 90 1.584 -4.074 -8.633 602 3HG1 VAL 90 3HG1 VAL 90 2.464 -5.537 -9.074 603 1HG2 VAL 90 1HG2 VAL 90 0.011 -7.831 -8.223 604 2HG2 VAL 90 2HG2 VAL 90 0.115 -7.466 -9.947 605 3HG2 VAL 90 3HG2 VAL 90 1.582 -7.529 -8.967 606 H GLY 91 H GLY 91 -1.172 -4.012 -5.842 607 1HA GLY 91 1HA GLY 91 -3.686 -5.433 -6.168 608 2HA GLY 91 2HA GLY 91 -3.019 -5.421 -4.547 609 H LYS 92 H LYS 92 -5.524 -4.228 -5.469 610 HA LYS 92 HA LYS 92 -4.889 -1.580 -4.564 611 1HB LYS 92 1HB LYS 92 -4.369 -1.134 -6.606 612 1HG LYS 92 1HG LYS 92 -7.324 -0.728 -6.512 613 1HD LYS 92 1HD LYS 92 -7.310 -1.247 -8.759 614 1HE LYS 92 1HE LYS 92 -4.947 0.292 -9.528 615 1HZ LYS 92 1HZ LYS 92 -6.577 -1.369 -10.813 616 2HZ LYS 92 2HZ LYS 92 -5.322 -2.436 -10.410 617 3HZ LYS 92 3HZ LYS 92 -4.995 -1.033 -11.307 618 H PHE 93 H PHE 93 -6.426 -0.197 -4.272 619 HA PHE 93 HA PHE 93 -9.191 -0.984 -4.182 620 1HB PHE 93 1HB PHE 93 -7.463 -0.843 -1.870 621 HD1 PHE 93 HD1 PHE 93 -8.697 -3.042 -3.130 622 HD2 PHE 93 HD2 PHE 93 -10.427 -0.278 -0.418 623 HE1 PHE 93 HE1 PHE 93 -10.334 -4.759 -2.436 624 HE2 PHE 93 HE2 PHE 93 -12.063 -1.977 0.297 625 HZ PHE 93 HZ PHE 93 -12.020 -4.225 -0.716 626 H LYS 94 H LYS 94 -10.325 1.004 -3.212 627 HA LYS 94 HA LYS 94 -9.234 3.157 -4.734 628 1HB LYS 94 1HB LYS 94 -11.331 4.010 -4.942 629 1HG LYS 94 1HG LYS 94 -11.788 3.845 -2.514 630 1HD LYS 94 1HD LYS 94 -13.248 1.297 -3.114 631 1HE LYS 94 1HE LYS 94 -13.624 2.709 -1.034 632 1HZ LYS 94 1HZ LYS 94 -11.686 3.325 -0.095 633 2HZ LYS 94 2HZ LYS 94 -10.815 2.002 -0.694 634 3HZ LYS 94 3HZ LYS 94 -11.799 1.823 0.672 635 H ARG 95 H ARG 95 -9.422 5.274 -3.790 636 HA ARG 95 HA ARG 95 -8.091 5.511 -1.404 637 1HB ARG 95 1HB ARG 95 -8.623 7.871 -1.527 638 1HG ARG 95 1HG ARG 95 -9.834 8.319 -3.870 639 1HD ARG 95 1HD ARG 95 -10.192 9.152 -1.449 640 HE ARG 95 HE ARG 95 -12.415 8.668 -0.749 641 1HH1 ARG 95 1HH1 ARG 95 -11.210 6.157 -2.880 642 2HH1 ARG 95 2HH1 ARG 95 -12.247 4.994 -2.194 643 1HH2 ARG 95 1HH2 ARG 95 -13.714 7.122 0.086 644 2HH2 ARG 95 2HH2 ARG 95 -13.684 5.515 -0.559 645 H VAL 96 H VAL 96 -9.567 7.841 -0.220 646 HA VAL 96 HA VAL 96 -11.877 6.500 1.009 647 HB VAL 96 HB VAL 96 -9.904 7.944 2.778 648 1HG1 VAL 96 1HG1 VAL 96 -11.380 6.303 4.372 649 2HG1 VAL 96 2HG1 VAL 96 -11.763 7.994 4.047 650 3HG1 VAL 96 3HG1 VAL 96 -12.556 6.718 3.124 651 1HG2 VAL 96 1HG2 VAL 96 -9.795 5.369 3.620 652 2HG2 VAL 96 2HG2 VAL 96 -9.928 5.151 1.876 653 3HG2 VAL 96 3HG2 VAL 96 -8.612 6.121 2.544 654 H ASP 97 H ASP 97 -10.353 9.380 -0.083 655 HA ASP 97 HA ASP 97 -11.912 11.345 1.253 656 1HB ASP 97 1HB ASP 97 -9.966 11.892 -0.203 657 H ASN 98 H ASN 98 -12.361 9.887 -1.942 658 HA ASN 98 HA ASN 98 -15.208 9.700 -1.498 659 1HB ASN 98 1HB ASN 98 -15.668 10.507 -3.847 660 1HD2 ASN 98 1HD2 ASN 98 -14.811 10.691 -5.755 661 2HD2 ASN 98 2HD2 ASN 98 -13.239 11.305 -6.120 662 H GLY 99 H GLY 99 -12.876 9.146 -4.232 663 1HA GLY 99 1HA GLY 99 -12.762 6.377 -3.736 664 2HA GLY 99 2HA GLY 99 -14.014 6.656 -4.948 665 H LYS 100 H LYS 100 -10.762 5.935 -4.433 666 HA LYS 100 HA LYS 100 -10.317 6.158 -7.285 667 1HB LYS 100 1HB LYS 100 -7.812 6.795 -6.028 668 1HG LYS 100 1HG LYS 100 -8.743 8.328 -4.558 669 1HD LYS 100 1HD LYS 100 -10.242 9.503 -6.885 670 1HE LYS 100 1HE LYS 100 -10.297 10.448 -4.033 671 1HZ LYS 100 1HZ LYS 100 -11.999 11.132 -5.732 672 2HZ LYS 100 2HZ LYS 100 -10.769 11.953 -6.549 673 3HZ LYS 100 3HZ LYS 100 -11.184 12.406 -4.973 674 H GLU 101 H GLU 101 -10.149 4.039 -7.588 675 HA GLU 101 HA GLU 101 -8.254 2.567 -5.952 676 1HB GLU 101 1HB GLU 101 -9.488 0.667 -6.166 677 1HG GLU 101 1HG GLU 101 -10.384 1.615 -8.855 678 H LEU 102 H LEU 102 -6.364 2.615 -6.758 679 HA LEU 102 HA LEU 102 -5.608 1.384 -9.155 680 1HB LEU 102 1HB LEU 102 -5.596 4.376 -9.110 681 HG LEU 102 HG LEU 102 -7.417 3.615 -10.409 682 1HD1 LEU 102 1HD1 LEU 102 -6.179 5.327 -11.538 683 2HD1 LEU 102 2HD1 LEU 102 -5.063 4.138 -12.211 684 3HD1 LEU 102 3HD1 LEU 102 -6.748 4.160 -12.732 685 1HD2 LEU 102 1HD2 LEU 102 -6.740 1.231 -10.481 686 2HD2 LEU 102 2HD2 LEU 102 -7.284 1.836 -12.055 687 3HD2 LEU 102 3HD2 LEU 102 -5.560 1.635 -11.738 688 H ILE 103 H ILE 103 -4.130 0.264 -8.056 689 HA ILE 103 HA ILE 103 -1.758 1.640 -7.338 690 HB ILE 103 HB ILE 103 -3.712 0.928 -5.212 691 1HG1 ILE 103 1HG1 ILE 103 -1.343 2.792 -5.120 692 1HG2 ILE 103 1HG2 ILE 103 -0.828 0.148 -5.009 693 2HG2 ILE 103 2HG2 ILE 103 -1.750 0.609 -3.578 694 3HG2 ILE 103 3HG2 ILE 103 -2.268 -0.764 -4.557 695 1HD1 ILE 103 1HD1 ILE 103 -2.421 2.271 -2.956 696 2HD1 ILE 103 2HD1 ILE 103 -2.556 3.964 -3.428 697 3HD1 ILE 103 3HD1 ILE 103 -3.939 2.885 -3.610 698 H ALA 104 H ALA 104 -0.120 0.171 -7.867 699 HA ALA 104 HA ALA 104 -0.107 -2.456 -6.851 700 1HB ALA 104 1HB ALA 104 -0.259 -3.147 -9.565 701 2HB ALA 104 2HB ALA 104 -1.324 -3.592 -8.228 702 3HB ALA 104 3HB ALA 104 -1.671 -2.154 -9.186 703 H VAL 105 H VAL 105 2.019 -2.357 -6.358 704 HA VAL 105 HA VAL 105 3.845 -2.911 -8.414 705 HB VAL 105 HB VAL 105 3.631 -0.013 -7.716 706 1HG1 VAL 105 1HG1 VAL 105 6.249 -1.496 -7.823 707 2HG1 VAL 105 2HG1 VAL 105 6.133 0.185 -8.343 708 3HG1 VAL 105 3HG1 VAL 105 5.717 -0.256 -6.687 709 1HG2 VAL 105 1HG2 VAL 105 3.380 -1.414 -9.996 710 2HG2 VAL 105 2HG2 VAL 105 3.888 0.279 -9.944 711 3HG2 VAL 105 3HG2 VAL 105 5.095 -1.001 -10.091 712 H ARG 106 H ARG 106 5.922 -3.538 -7.592 713 HA ARG 106 HA ARG 106 6.027 -3.289 -4.720 714 1HB ARG 106 1HB ARG 106 6.086 -5.678 -5.430 715 1HG ARG 106 1HG ARG 106 7.728 -6.264 -3.847 716 1HD ARG 106 1HD ARG 106 6.460 -3.655 -3.259 717 HE ARG 106 HE ARG 106 8.003 -5.304 -1.504 718 1HH1 ARG 106 1HH1 ARG 106 5.350 -3.061 -1.783 719 2HH1 ARG 106 2HH1 ARG 106 5.317 -2.675 -0.053 720 1HH2 ARG 106 1HH2 ARG 106 7.988 -4.801 0.782 721 2HH2 ARG 106 2HH2 ARG 106 6.779 -3.636 1.363 722 H GLU 107 H GLU 107 7.958 -3.219 -3.888 723 HA GLU 107 HA GLU 107 9.783 -1.483 -5.312 724 1HB GLU 107 1HB GLU 107 10.465 -1.353 -2.690 725 1HG GLU 107 1HG GLU 107 7.505 -1.559 -2.635 726 H ILE 108 H ILE 108 11.141 -2.913 -6.320 727 HA ILE 108 HA ILE 108 12.973 -4.307 -4.666 728 HB ILE 108 HB ILE 108 11.221 -5.917 -6.545 729 1HG1 ILE 108 1HG1 ILE 108 11.109 -5.694 -3.539 730 1HG2 ILE 108 1HG2 ILE 108 12.564 -7.688 -6.215 731 2HG2 ILE 108 2HG2 ILE 108 13.746 -6.417 -5.903 732 3HG2 ILE 108 3HG2 ILE 108 12.951 -7.227 -4.556 733 1HD1 ILE 108 1HD1 ILE 108 10.901 -7.957 -3.519 734 2HD1 ILE 108 2HD1 ILE 108 9.250 -7.545 -3.993 735 3HD1 ILE 108 3HD1 ILE 108 10.425 -8.040 -5.215 736 H SER 109 H SER 109 14.880 -4.586 -5.682 737 HA SER 109 HA SER 109 15.238 -4.972 -8.479 738 1HB SER 109 1HB SER 109 14.731 -2.560 -8.567 739 HG SER 109 HG SER 109 16.356 -2.154 -9.875 740 H GLY 110 H GLY 110 17.743 -4.930 -8.988 741 1HA GLY 110 1HA GLY 110 19.225 -6.595 -7.481 742 2HA GLY 110 2HA GLY 110 19.981 -5.177 -8.218 743 H ASN 111 H ASN 111 18.907 -3.169 -6.951 744 HA ASN 111 HA ASN 111 18.566 -3.392 -4.190 745 1HB ASN 111 1HB ASN 111 20.606 -1.951 -3.572 746 1HD2 ASN 111 1HD2 ASN 111 22.628 -4.023 -5.063 747 2HD2 ASN 111 2HD2 ASN 111 23.291 -2.979 -6.269 748 H GLU 112 H GLU 112 16.793 -2.338 -4.866 749 HA GLU 112 HA GLU 112 16.710 0.432 -4.616 750 1HB GLU 112 1HB GLU 112 17.629 0.573 -6.857 751 1HG GLU 112 1HG GLU 112 14.652 0.994 -6.997 752 H LEU 113 H LEU 113 14.588 0.838 -3.870 753 HA LEU 113 HA LEU 113 12.696 -1.284 -4.597 754 1HB LEU 113 1HB LEU 113 13.057 0.352 -2.117 755 HG LEU 113 HG LEU 113 13.801 -1.568 -1.373 756 1HD1 LEU 113 1HD1 LEU 113 10.957 -2.311 -1.748 757 2HD1 LEU 113 2HD1 LEU 113 12.106 -3.489 -1.120 758 3HD1 LEU 113 3HD1 LEU 113 11.839 -1.973 -0.261 759 1HD2 LEU 113 1HD2 LEU 113 14.608 -2.608 -3.188 760 2HD2 LEU 113 2HD2 LEU 113 13.353 -3.772 -2.756 761 3HD2 LEU 113 3HD2 LEU 113 13.056 -2.583 -4.025 762 H ILE 114 H ILE 114 10.469 -0.577 -4.772 763 HA ILE 114 HA ILE 114 9.982 2.148 -5.666 764 HB ILE 114 HB ILE 114 8.838 -0.026 -7.290 765 1HG1 ILE 114 1HG1 ILE 114 11.219 -0.687 -6.971 766 1HG2 ILE 114 1HG2 ILE 114 9.922 1.960 -8.932 767 2HG2 ILE 114 2HG2 ILE 114 8.240 1.799 -8.425 768 3HG2 ILE 114 3HG2 ILE 114 9.347 2.814 -7.499 769 1HD1 ILE 114 1HD1 ILE 114 13.020 0.539 -7.864 770 2HD1 ILE 114 2HD1 ILE 114 11.952 1.700 -8.653 771 3HD1 ILE 114 3HD1 ILE 114 12.106 1.702 -6.889 772 H GLN 115 H GLN 115 7.965 2.796 -5.165 773 HA GLN 115 HA GLN 115 5.970 0.713 -4.741 774 1HB GLN 115 1HB GLN 115 6.578 2.947 -2.801 775 1HG GLN 115 1HG GLN 115 6.784 -0.102 -2.559 776 1HE2 GLN 115 1HE2 GLN 115 8.972 1.515 -0.736 777 2HE2 GLN 115 2HE2 GLN 115 8.164 1.496 0.792 778 H THR 116 H THR 116 4.687 1.133 -6.348 779 HA THR 116 HA THR 116 4.133 3.870 -7.046 780 HB THR 116 HB THR 116 3.102 1.511 -8.546 781 HG1 THR 116 HG1 THR 116 5.633 1.960 -8.065 782 1HG2 THR 116 1HG2 THR 116 2.338 3.794 -9.081 783 2HG2 THR 116 2HG2 THR 116 3.192 3.002 -10.406 784 3HG2 THR 116 3HG2 THR 116 4.017 4.216 -9.426 785 H TYR 117 H TYR 117 2.296 4.841 -6.540 786 HA TYR 117 HA TYR 117 -0.007 3.149 -5.953 787 1HB TYR 117 1HB TYR 117 0.119 6.067 -5.200 788 HD1 TYR 117 HD1 TYR 117 -0.932 4.139 -2.567 789 HD2 TYR 117 HD2 TYR 117 2.719 5.414 -4.386 790 HE1 TYR 117 HE1 TYR 117 0.257 3.752 -0.455 791 HE2 TYR 117 HE2 TYR 117 3.897 5.014 -2.276 792 HH TYR 117 HH TYR 117 3.221 4.963 0.233 793 H THR 118 H THR 118 -1.994 4.281 -6.535 794 HA THR 118 HA THR 118 -1.886 6.144 -8.707 795 HB THR 118 HB THR 118 -3.147 3.437 -9.304 796 HG1 THR 118 HG1 THR 118 -0.681 3.987 -10.457 797 1HG2 THR 118 1HG2 THR 118 -2.748 4.236 -11.638 798 2HG2 THR 118 2HG2 THR 118 -2.025 5.732 -11.012 799 3HG2 THR 118 3HG2 THR 118 -3.743 5.382 -10.735 800 H TYR 119 H TYR 119 -4.127 6.907 -9.192 801 HA TYR 119 HA TYR 119 -6.299 5.934 -7.644 802 1HB TYR 119 1HB TYR 119 -6.435 8.052 -6.179 803 HD1 TYR 119 HD1 TYR 119 -2.821 7.137 -5.701 804 HD2 TYR 119 HD2 TYR 119 -5.642 10.169 -6.903 805 HE1 TYR 119 HE1 TYR 119 -1.115 8.892 -5.462 806 HE2 TYR 119 HE2 TYR 119 -3.900 11.885 -6.670 807 HH TYR 119 HH TYR 119 -0.935 11.604 -6.703 808 H GLU 120 H GLU 120 -7.587 6.109 -9.239 809 HA GLU 120 HA GLU 120 -9.005 7.084 -10.749 810 1HB GLU 120 1HB GLU 120 -7.577 9.667 -10.047 811 1HG GLU 120 1HG GLU 120 -9.046 8.392 -8.301 812 H GLY 121 H GLY 121 -5.795 8.645 -10.784 813 1HA GLY 121 1HA GLY 121 -4.810 6.941 -12.727 814 2HA GLY 121 2HA GLY 121 -5.339 8.406 -13.548 815 H VAL 122 H VAL 122 -3.012 6.974 -11.383 816 HA VAL 122 HA VAL 122 -1.031 8.739 -12.184 817 HB VAL 122 HB VAL 122 -1.657 10.507 -10.793 818 1HG1 VAL 122 1HG1 VAL 122 -2.289 10.075 -8.380 819 2HG1 VAL 122 2HG1 VAL 122 -3.489 9.656 -9.607 820 3HG1 VAL 122 3HG1 VAL 122 -2.516 8.389 -8.856 821 1HG2 VAL 122 1HG2 VAL 122 0.582 10.182 -10.320 822 2HG2 VAL 122 2HG2 VAL 122 -0.174 10.290 -8.731 823 3HG2 VAL 122 3HG2 VAL 122 0.274 8.718 -9.388 824 H GLU 123 H GLU 123 0.602 7.334 -12.295 825 HA GLU 123 HA GLU 123 0.809 5.528 -10.020 826 1HB GLU 123 1HB GLU 123 2.302 4.170 -11.216 827 1HG GLU 123 1HG GLU 123 3.630 5.905 -12.348 828 H ALA 124 H ALA 124 2.531 5.691 -8.666 829 HA ALA 124 HA ALA 124 4.687 7.540 -9.242 830 1HB ALA 124 1HB ALA 124 2.558 8.156 -7.235 831 2HB ALA 124 2HB ALA 124 4.160 8.888 -7.179 832 3HB ALA 124 3HB ALA 124 3.124 9.145 -8.581 833 H LYS 125 H LYS 125 6.476 7.059 -8.254 834 HA LYS 125 HA LYS 125 6.488 5.679 -5.705 835 1HB LYS 125 1HB LYS 125 8.286 4.290 -7.451 836 1HG LYS 125 1HG LYS 125 6.710 3.138 -8.891 837 1HD LYS 125 1HD LYS 125 6.588 6.108 -9.255 838 1HE LYS 125 1HE LYS 125 4.759 5.246 -10.441 839 1HZ LYS 125 1HZ LYS 125 6.576 3.072 -11.320 840 2HZ LYS 125 2HZ LYS 125 5.096 3.403 -12.071 841 3HZ LYS 125 3HZ LYS 125 5.129 2.922 -10.444 842 H ARG 126 H ARG 126 8.399 5.921 -4.586 843 HA ARG 126 HA ARG 126 10.607 7.368 -5.834 844 1HB ARG 126 1HB ARG 126 10.628 9.114 -4.230 845 1HG ARG 126 1HG ARG 126 8.064 8.332 -2.976 846 1HD ARG 126 1HD ARG 126 10.436 9.917 -2.197 847 HE ARG 126 HE ARG 126 9.891 8.765 -0.233 848 1HH1 ARG 126 1HH1 ARG 126 7.294 10.723 -1.471 849 2HH1 ARG 126 2HH1 ARG 126 6.378 10.674 -0.002 850 1HH2 ARG 126 1HH2 ARG 126 8.701 8.673 1.724 851 2HH2 ARG 126 2HH2 ARG 126 7.148 9.523 1.821 852 H ILE 127 H ILE 127 12.054 5.754 -5.477 853 HA ILE 127 HA ILE 127 12.797 5.462 -2.728 854 HB ILE 127 HB ILE 127 12.224 2.802 -3.838 855 1HG1 ILE 127 1HG1 ILE 127 9.987 4.605 -2.744 856 1HG2 ILE 127 1HG2 ILE 127 12.021 4.040 -1.132 857 2HG2 ILE 127 2HG2 ILE 127 11.742 2.331 -1.505 858 3HG2 ILE 127 3HG2 ILE 127 13.333 3.052 -1.765 859 1HD1 ILE 127 1HD1 ILE 127 10.089 1.636 -3.269 860 2HD1 ILE 127 2HD1 ILE 127 9.710 2.468 -1.760 861 3HD1 ILE 127 3HD1 ILE 127 8.598 2.566 -3.125 862 H PHE 128 H PHE 128 14.573 4.472 -2.267 863 HA PHE 128 HA PHE 128 16.060 2.887 -4.085 864 1HB PHE 128 1HB PHE 128 17.332 5.431 -3.042 865 HD1 PHE 128 HD1 PHE 128 16.291 7.180 -4.204 866 HD2 PHE 128 HD2 PHE 128 17.338 3.607 -6.256 867 HE1 PHE 128 HE1 PHE 128 15.642 8.228 -6.334 868 HE2 PHE 128 HE2 PHE 128 16.711 4.647 -8.398 869 HZ PHE 128 HZ PHE 128 15.863 6.962 -8.440 870 H LYS 129 H LYS 129 15.932 1.361 -2.801 871 HA LYS 129 HA LYS 129 16.394 1.719 0.057 872 1HB LYS 129 1HB LYS 129 14.808 -0.278 -1.476 873 1HG LYS 129 1HG LYS 129 14.031 2.004 0.241 874 1HD LYS 129 1HD LYS 129 12.458 -0.469 -0.335 875 1HE LYS 129 1HE LYS 129 10.972 1.315 -0.496 876 1HZ LYS 129 1HZ LYS 129 12.678 2.688 1.135 877 2HZ LYS 129 2HZ LYS 129 11.321 2.450 2.116 878 3HZ LYS 129 3HZ LYS 129 11.157 3.222 0.620 879 H LYS 130 H LYS 130 16.760 -0.151 1.263 880 HA LYS 130 HA LYS 130 18.129 -1.711 2.094 881 1HB LYS 130 1HB LYS 130 16.701 -2.710 0.109 882 1HG LYS 130 1HG LYS 130 16.903 -4.136 1.852 883 1HD LYS 130 1HD LYS 130 19.856 -4.505 1.523 884 1HE LYS 130 1HE LYS 130 19.659 -5.299 3.833 885 1HZ LYS 130 1HZ LYS 130 17.512 -6.849 2.745 886 2HZ LYS 130 2HZ LYS 130 19.090 -7.322 3.134 887 3HZ LYS 130 3HZ LYS 130 18.763 -6.625 1.628 888 H GLU 131 H GLU 131 19.935 -3.293 0.230 889 HA GLU 131 HA GLU 131 22.325 -1.860 0.749 890 1HB GLU 131 1HB GLU 131 23.441 -3.637 -0.532 891 1HG GLU 131 1HG GLU 131 20.673 -4.663 -1.119 Start of MODEL 9 1 1H ALA 1 1H ALA 1 13.731 -11.754 -0.154 2 2H ALA 1 2H ALA 1 12.762 -11.014 1.019 3 3H ALA 1 3H ALA 1 13.137 -10.189 -0.409 4 HA ALA 1 HA ALA 1 11.464 -11.080 -1.508 5 1HB ALA 1 1HB ALA 1 11.642 -13.811 -0.394 6 2HB ALA 1 2HB ALA 1 11.460 -13.273 -2.064 7 3HB ALA 1 3HB ALA 1 13.044 -13.229 -1.291 8 H PHE 2 H PHE 2 11.676 -12.357 1.792 9 HA PHE 2 HA PHE 2 9.037 -11.314 2.389 10 1HB PHE 2 1HB PHE 2 9.663 -14.264 2.690 11 HD1 PHE 2 HD1 PHE 2 6.373 -12.912 2.012 12 HD2 PHE 2 HD2 PHE 2 9.875 -14.583 0.264 13 HE1 PHE 2 HE1 PHE 2 5.121 -13.360 -0.058 14 HE2 PHE 2 HE2 PHE 2 8.631 -15.028 -1.811 15 HZ PHE 2 HZ PHE 2 6.252 -14.418 -1.973 16 H ASP 3 H ASP 3 11.514 -10.483 3.234 17 HA ASP 3 HA ASP 3 11.254 -10.362 6.022 18 1HB ASP 3 1HB ASP 3 12.177 -12.797 5.475 19 H GLY 4 H GLY 4 11.976 -8.901 3.497 20 1HA GLY 4 1HA GLY 4 14.671 -8.026 4.160 21 2HA GLY 4 2HA GLY 4 13.793 -7.665 2.671 22 H THR 5 H THR 5 14.967 -5.546 3.658 23 HA THR 5 HA THR 5 12.715 -4.017 4.218 24 HB THR 5 HB THR 5 13.279 -4.510 6.565 25 HG1 THR 5 HG1 THR 5 12.849 -2.261 5.369 26 1HG2 THR 5 1HG2 THR 5 15.674 -2.859 6.674 27 2HG2 THR 5 2HG2 THR 5 15.935 -4.319 5.719 28 3HG2 THR 5 3HG2 THR 5 15.376 -4.445 7.387 29 H TRP 6 H TRP 6 13.065 -1.974 3.522 30 HA TRP 6 HA TRP 6 15.629 -1.226 2.555 31 1HB TRP 6 1HB TRP 6 13.607 -1.133 0.468 32 HD1 TRP 6 HD1 TRP 6 12.125 -3.124 2.327 33 HE1 TRP 6 HE1 TRP 6 11.874 -5.610 1.849 34 HE3 TRP 6 HE3 TRP 6 15.799 -3.639 -1.190 35 HZ2 TRP 6 HZ2 TRP 6 12.973 -7.536 0.102 36 HZ3 TRP 6 HZ3 TRP 6 16.101 -5.839 -2.246 37 HH2 TRP 6 HH2 TRP 6 14.718 -7.747 -1.613 38 H LYS 7 H LYS 7 15.325 1.333 2.235 39 HA LYS 7 HA LYS 7 12.648 2.113 2.900 40 1HB LYS 7 1HB LYS 7 13.828 3.047 5.162 41 1HG LYS 7 1HG LYS 7 14.693 1.098 6.311 42 1HD LYS 7 1HD LYS 7 16.245 1.700 3.788 43 1HE LYS 7 1HE LYS 7 17.088 -0.314 4.857 44 1HZ LYS 7 1HZ LYS 7 16.379 -0.188 7.064 45 2HZ LYS 7 2HZ LYS 7 17.049 1.347 7.303 46 3HZ LYS 7 3HZ LYS 7 18.058 -0.002 7.160 47 H VAL 8 H VAL 8 12.210 4.107 2.455 48 HA VAL 8 HA VAL 8 13.893 6.300 2.941 49 HB VAL 8 HB VAL 8 13.730 6.689 0.248 50 1HG1 VAL 8 1HG1 VAL 8 15.699 6.886 1.985 51 2HG1 VAL 8 2HG1 VAL 8 16.191 5.349 1.255 52 3HG1 VAL 8 3HG1 VAL 8 15.987 6.789 0.240 53 1HG2 VAL 8 1HG2 VAL 8 14.742 3.866 0.538 54 2HG2 VAL 8 2HG2 VAL 8 13.049 4.242 0.191 55 3HG2 VAL 8 3HG2 VAL 8 14.302 4.769 -0.936 56 H ASP 9 H ASP 9 11.835 5.355 0.348 57 HA ASP 9 HA ASP 9 9.836 7.258 1.183 58 1HB ASP 9 1HB ASP 9 11.489 7.456 -1.310 59 H ARG 10 H ARG 10 8.182 7.229 -0.688 60 HA ARG 10 HA ARG 10 7.897 5.241 -2.462 61 1HB ARG 10 1HB ARG 10 6.311 3.714 -1.317 62 1HG ARG 10 1HG ARG 10 6.259 5.656 0.640 63 1HD ARG 10 1HD ARG 10 7.945 3.337 1.502 64 HE ARG 10 HE ARG 10 6.948 3.401 3.539 65 1HH1 ARG 10 1HH1 ARG 10 6.422 6.502 2.022 66 2HH1 ARG 10 2HH1 ARG 10 5.511 7.135 3.352 67 1HH2 ARG 10 1HH2 ARG 10 5.756 4.234 5.283 68 2HH2 ARG 10 2HH2 ARG 10 5.135 5.849 5.203 69 H ASN 11 H ASN 11 7.300 7.576 -2.766 70 HA ASN 11 HA ASN 11 5.215 7.769 -4.057 71 1HB ASN 11 1HB ASN 11 3.632 7.071 -2.585 72 1HD2 ASN 11 1HD2 ASN 11 3.878 9.252 -4.614 73 2HD2 ASN 11 2HD2 ASN 11 2.446 10.216 -4.447 74 H GLU 12 H GLU 12 5.301 9.498 -5.261 75 HA GLU 12 HA GLU 12 5.892 12.017 -3.844 76 1HB GLU 12 1HB GLU 12 6.857 11.269 -6.555 77 1HG GLU 12 1HG GLU 12 8.174 13.061 -4.590 78 H ASN 13 H ASN 13 4.125 12.824 -3.647 79 HA ASN 13 HA ASN 13 2.046 12.769 -5.582 80 1HB ASN 13 1HB ASN 13 2.546 14.281 -2.995 81 1HD2 ASN 13 1HD2 ASN 13 0.282 12.360 -4.696 82 2HD2 ASN 13 2HD2 ASN 13 -0.294 11.403 -3.379 83 H TYR 14 H TYR 14 4.530 14.346 -4.133 84 HA TYR 14 HA TYR 14 4.478 16.796 -5.257 85 1HB TYR 14 1HB TYR 14 5.977 16.524 -3.480 86 HD1 TYR 14 HD1 TYR 14 8.793 14.976 -4.208 87 HD2 TYR 14 HD2 TYR 14 6.544 18.226 -5.781 88 HE1 TYR 14 HE1 TYR 14 10.845 15.927 -5.178 89 HE2 TYR 14 HE2 TYR 14 8.571 19.171 -6.772 90 HH TYR 14 HH TYR 14 11.346 17.530 -7.218 91 H GLU 15 H GLU 15 4.883 13.646 -6.487 92 HA GLU 15 HA GLU 15 6.074 14.830 -8.897 93 1HB GLU 15 1HB GLU 15 7.032 12.865 -9.534 94 1HG GLU 15 1HG GLU 15 5.500 11.238 -7.521 95 H LYS 16 H LYS 16 3.641 12.819 -7.658 96 HA LYS 16 HA LYS 16 2.431 12.173 -10.093 97 1HB LYS 16 1HB LYS 16 0.730 12.942 -7.748 98 1HG LYS 16 1HG LYS 16 2.192 10.365 -7.657 99 1HD LYS 16 1HD LYS 16 1.207 11.485 -5.278 100 1HE LYS 16 1HE LYS 16 0.460 9.004 -6.779 101 1HZ LYS 16 1HZ LYS 16 -1.084 9.980 -4.935 102 2HZ LYS 16 2HZ LYS 16 0.070 9.297 -3.897 103 3HZ LYS 16 3HZ LYS 16 -0.759 8.318 -5.001 104 H PHE 17 H PHE 17 1.518 14.474 -7.806 105 HA PHE 17 HA PHE 17 -0.149 15.896 -9.600 106 1HB PHE 17 1HB PHE 17 1.328 17.062 -7.230 107 HD1 PHE 17 HD1 PHE 17 0.793 14.000 -7.006 108 HD2 PHE 17 HD2 PHE 17 -1.647 17.364 -6.008 109 HE1 PHE 17 HE1 PHE 17 -0.495 12.624 -5.609 110 HE2 PHE 17 HE2 PHE 17 -2.917 15.911 -4.468 111 HZ PHE 17 HZ PHE 17 -2.294 13.503 -4.263 112 H MET 18 H MET 18 3.161 15.729 -8.862 113 HA MET 18 HA MET 18 3.792 18.181 -10.119 114 1HB MET 18 1HB MET 18 5.482 17.577 -8.760 115 1HG MET 18 1HG MET 18 6.103 16.093 -11.316 116 1HE MET 18 1HE MET 18 9.892 16.728 -10.875 117 2HE MET 18 2HE MET 18 9.407 15.108 -11.378 118 3HE MET 18 3HE MET 18 8.542 16.518 -11.991 119 H GLU 19 H GLU 19 3.230 14.963 -11.081 120 HA GLU 19 HA GLU 19 4.386 15.559 -13.650 121 1HB GLU 19 1HB GLU 19 3.231 12.943 -12.694 122 1HG GLU 19 1HG GLU 19 6.071 13.927 -12.415 123 H LYS 20 H LYS 20 1.527 15.979 -12.043 124 HA LYS 20 HA LYS 20 0.161 16.067 -14.604 125 1HB LYS 20 1HB LYS 20 -1.676 14.523 -13.800 126 1HG LYS 20 1HG LYS 20 0.465 13.885 -11.767 127 1HD LYS 20 1HD LYS 20 -0.739 11.800 -11.331 128 1HE LYS 20 1HE LYS 20 0.175 12.047 -14.193 129 1HZ LYS 20 1HZ LYS 20 -1.010 9.974 -13.767 130 2HZ LYS 20 2HZ LYS 20 0.012 9.642 -12.460 131 3HZ LYS 20 3HZ LYS 20 0.638 9.697 -14.030 132 H MET 21 H MET 21 -0.818 15.828 -11.187 133 HA MET 21 HA MET 21 -3.112 17.184 -11.187 134 1HB MET 21 1HB MET 21 -0.902 17.414 -9.212 135 1HG MET 21 1HG MET 21 -1.716 15.231 -9.302 136 1HE MET 21 1HE MET 21 -3.344 13.636 -8.254 137 2HE MET 21 2HE MET 21 -5.000 14.072 -7.828 138 3HE MET 21 3HE MET 21 -4.668 13.256 -9.356 139 H GLY 22 H GLY 22 -0.015 18.833 -10.566 140 1HA GLY 22 1HA GLY 22 -0.859 21.084 -12.201 141 2HA GLY 22 2HA GLY 22 -1.101 21.417 -10.494 142 H ILE 23 H ILE 23 1.189 20.139 -9.481 143 HA ILE 23 HA ILE 23 3.370 20.565 -9.013 144 HB ILE 23 HB ILE 23 4.802 20.231 -10.731 145 1HG1 ILE 23 1HG1 ILE 23 3.284 22.237 -12.427 146 1HG2 ILE 23 1HG2 ILE 23 2.836 18.771 -11.188 147 2HG2 ILE 23 2HG2 ILE 23 2.252 19.991 -12.328 148 3HG2 ILE 23 3HG2 ILE 23 3.777 19.162 -12.636 149 1HD1 ILE 23 1HD1 ILE 23 5.226 22.296 -13.858 150 2HD1 ILE 23 2HD1 ILE 23 6.014 21.061 -12.877 151 3HD1 ILE 23 3HD1 ILE 23 4.564 20.663 -13.797 152 H ASN 24 H ASN 24 1.220 22.831 -9.465 153 HA ASN 24 HA ASN 24 2.613 25.206 -10.010 154 1HB ASN 24 1HB ASN 24 0.145 24.980 -10.046 155 1HD2 ASN 24 1HD2 ASN 24 2.575 26.944 -9.198 156 2HD2 ASN 24 2HD2 ASN 24 1.722 28.435 -9.030 157 H VAL 25 H VAL 25 1.559 23.959 -6.809 158 HA VAL 25 HA VAL 25 4.003 25.030 -5.645 159 HB VAL 25 HB VAL 25 2.742 26.200 -3.830 160 1HG1 VAL 25 1HG1 VAL 25 2.251 28.214 -5.154 161 2HG1 VAL 25 2HG1 VAL 25 3.784 27.473 -5.612 162 3HG1 VAL 25 3HG1 VAL 25 2.361 27.254 -6.629 163 1HG2 VAL 25 1HG2 VAL 25 0.380 26.194 -5.675 164 2HG2 VAL 25 2HG2 VAL 25 0.578 24.955 -4.435 165 3HG2 VAL 25 3HG2 VAL 25 0.459 26.654 -3.975 166 H VAL 26 H VAL 26 3.165 22.349 -5.949 167 HA VAL 26 HA VAL 26 2.917 20.400 -4.794 168 HB VAL 26 HB VAL 26 4.436 22.179 -2.931 169 1HG1 VAL 26 1HG1 VAL 26 4.399 19.410 -2.043 170 2HG1 VAL 26 2HG1 VAL 26 4.272 20.899 -1.108 171 3HG1 VAL 26 3HG1 VAL 26 2.835 20.201 -1.855 172 1HG2 VAL 26 1HG2 VAL 26 5.503 21.155 -4.897 173 2HG2 VAL 26 2HG2 VAL 26 6.215 20.593 -3.385 174 3HG2 VAL 26 3HG2 VAL 26 5.095 19.550 -4.273 175 H LYS 27 H LYS 27 0.745 20.052 -4.658 176 HA LYS 27 HA LYS 27 -0.832 21.252 -2.531 177 1HB LYS 27 1HB LYS 27 -1.570 19.133 -4.574 178 1HG LYS 27 1HG LYS 27 -2.238 22.070 -4.524 179 1HD LYS 27 1HD LYS 27 -3.036 19.899 -6.463 180 1HE LYS 27 1HE LYS 27 -2.613 22.035 -7.574 181 1HZ LYS 27 1HZ LYS 27 -3.261 23.990 -6.767 182 2HZ LYS 27 2HZ LYS 27 -3.529 23.193 -5.299 183 3HZ LYS 27 3HZ LYS 27 -4.811 23.434 -6.377 184 H ARG 28 H ARG 28 -1.486 17.930 -3.239 185 HA ARG 28 HA ARG 28 -0.948 17.163 -0.522 186 1HB ARG 28 1HB ARG 28 -2.697 15.874 -1.326 187 1HG ARG 28 1HG ARG 28 -0.481 14.092 -2.323 188 1HD ARG 28 1HD ARG 28 -3.196 13.540 -1.143 189 HE ARG 28 HE ARG 28 -0.978 11.947 -0.807 190 1HH1 ARG 28 1HH1 ARG 28 -4.030 11.627 -2.445 191 2HH1 ARG 28 2HH1 ARG 28 -4.140 9.921 -2.175 192 1HH2 ARG 28 1HH2 ARG 28 -1.109 9.704 -0.456 193 2HH2 ARG 28 2HH2 ARG 28 -2.479 8.826 -1.049 194 H LYS 29 H LYS 29 0.984 17.804 -3.080 195 HA LYS 29 HA LYS 29 2.761 15.758 -3.411 196 1HB LYS 29 1HB LYS 29 3.509 18.639 -3.275 197 1HG LYS 29 1HG LYS 29 2.547 16.935 -5.536 198 1HD LYS 29 1HD LYS 29 3.741 19.667 -5.777 199 1HE LYS 29 1HE LYS 29 4.107 18.869 -8.088 200 1HZ LYS 29 1HZ LYS 29 1.286 18.845 -7.168 201 2HZ LYS 29 2HZ LYS 29 1.791 19.031 -8.772 202 3HZ LYS 29 3HZ LYS 29 2.169 20.215 -7.624 203 H LEU 30 H LEU 30 5.098 17.521 -2.515 204 HA LEU 30 HA LEU 30 6.647 17.451 -0.825 205 1HB LEU 30 1HB LEU 30 4.302 16.549 0.883 206 HG LEU 30 HG LEU 30 4.014 18.899 0.191 207 1HD1 LEU 30 1HD1 LEU 30 4.733 18.373 3.065 208 2HD1 LEU 30 2HD1 LEU 30 3.971 19.864 2.513 209 3HD1 LEU 30 3HD1 LEU 30 3.136 18.322 2.318 210 1HD2 LEU 30 1HD2 LEU 30 6.365 19.451 -0.191 211 2HD2 LEU 30 2HD2 LEU 30 5.612 20.590 0.927 212 3HD2 LEU 30 3HD2 LEU 30 6.679 19.326 1.540 213 H GLY 31 H GLY 31 5.072 15.396 -2.479 214 1HA GLY 31 1HA GLY 31 4.814 12.987 -2.132 215 2HA GLY 31 2HA GLY 31 6.097 13.409 -3.217 216 H ALA 32 H ALA 32 8.300 13.569 -2.252 217 HA ALA 32 HA ALA 32 8.631 11.355 -0.344 218 1HB ALA 32 1HB ALA 32 10.478 12.452 -2.443 219 2HB ALA 32 2HB ALA 32 10.946 11.215 -1.276 220 3HB ALA 32 3HB ALA 32 9.650 10.895 -2.428 221 H HIS 33 H HIS 33 11.578 12.556 -0.511 222 HA HIS 33 HA HIS 33 12.979 13.360 1.048 223 1HB HIS 33 1HB HIS 33 12.916 15.703 1.370 224 HD1 HIS 33 HD1 HIS 33 9.419 15.226 -0.062 225 HD2 HIS 33 HD2 HIS 33 11.498 17.567 2.660 226 HE1 HIS 33 HE1 HIS 33 7.750 16.896 0.800 227 HE2 HIS 33 HE2 HIS 33 9.030 18.309 2.442 228 H ALA 34 H ALA 34 11.685 11.560 2.364 229 HA ALA 34 HA ALA 34 11.547 12.658 5.030 230 1HB ALA 34 1HB ALA 34 9.209 11.046 4.847 231 2HB ALA 34 2HB ALA 34 9.351 12.749 5.285 232 3HB ALA 34 3HB ALA 34 9.144 12.287 3.595 233 H ASN 35 H ASN 35 12.331 11.237 6.499 234 HA ASN 35 HA ASN 35 13.393 8.734 5.701 235 1HB ASN 35 1HB ASN 35 12.924 9.846 8.479 236 1HD2 ASN 35 1HD2 ASN 35 15.983 8.825 8.102 237 2HD2 ASN 35 2HD2 ASN 35 16.744 10.303 7.638 238 H LEU 36 H LEU 36 12.669 6.613 6.029 239 HA LEU 36 HA LEU 36 10.456 5.931 7.622 240 1HB LEU 36 1HB LEU 36 8.934 5.313 5.754 241 HG LEU 36 HG LEU 36 10.975 6.803 4.110 242 1HD1 LEU 36 1HD1 LEU 36 11.447 4.708 3.602 243 2HD1 LEU 36 2HD1 LEU 36 9.909 4.084 4.217 244 3HD1 LEU 36 3HD1 LEU 36 9.992 4.781 2.595 245 1HD2 LEU 36 1HD2 LEU 36 8.503 6.214 2.691 246 2HD2 LEU 36 2HD2 LEU 36 8.236 7.340 4.026 247 3HD2 LEU 36 3HD2 LEU 36 9.426 7.718 2.781 248 H LYS 37 H LYS 37 10.162 3.563 7.653 249 HA LYS 37 HA LYS 37 12.276 2.436 5.987 250 1HB LYS 37 1HB LYS 37 12.772 0.771 7.606 251 1HG LYS 37 1HG LYS 37 10.363 1.788 9.086 252 1HD LYS 37 1HD LYS 37 12.716 0.147 10.026 253 1HE LYS 37 1HE LYS 37 11.485 -0.120 12.133 254 1HZ LYS 37 1HZ LYS 37 9.906 -1.197 9.862 255 2HZ LYS 37 2HZ LYS 37 10.002 -1.834 11.427 256 3HZ LYS 37 3HZ LYS 37 11.357 -1.872 10.415 257 H LEU 38 H LEU 38 11.948 0.323 4.999 258 HA LEU 38 HA LEU 38 9.077 -0.373 4.883 259 1HB LEU 38 1HB LEU 38 10.414 0.709 2.857 260 HG LEU 38 HG LEU 38 9.153 -0.661 1.163 261 1HD1 LEU 38 1HD1 LEU 38 7.959 -2.483 1.669 262 2HD1 LEU 38 2HD1 LEU 38 9.069 -2.599 3.034 263 3HD1 LEU 38 3HD1 LEU 38 7.480 -1.865 3.250 264 1HD2 LEU 38 1HD2 LEU 38 7.977 0.914 3.370 265 2HD2 LEU 38 2HD2 LEU 38 8.008 1.228 1.636 266 3HD2 LEU 38 3HD2 LEU 38 6.868 0.059 2.300 267 H THR 39 H THR 39 8.860 -2.291 5.877 268 HA THR 39 HA THR 39 10.739 -4.438 5.154 269 HB THR 39 HB THR 39 9.383 -4.033 7.839 270 HG1 THR 39 HG1 THR 39 11.207 -3.095 8.458 271 1HG2 THR 39 1HG2 THR 39 9.761 -6.404 7.364 272 2HG2 THR 39 2HG2 THR 39 10.960 -5.874 8.543 273 3HG2 THR 39 3HG2 THR 39 11.418 -6.084 6.852 274 H ILE 40 H ILE 40 9.352 -6.774 5.489 275 HA ILE 40 HA ILE 40 6.471 -6.471 5.412 276 HB ILE 40 HB ILE 40 6.283 -7.433 3.093 277 1HG1 ILE 40 1HG1 ILE 40 8.685 -8.168 3.028 278 1HG2 ILE 40 1HG2 ILE 40 7.581 -4.728 2.982 279 2HG2 ILE 40 2HG2 ILE 40 6.364 -5.389 1.891 280 3HG2 ILE 40 3HG2 ILE 40 5.937 -5.000 3.557 281 1HD1 ILE 40 1HD1 ILE 40 9.605 -5.873 1.561 282 2HD1 ILE 40 2HD1 ILE 40 9.311 -5.491 3.257 283 3HD1 ILE 40 3HD1 ILE 40 10.405 -6.808 2.827 284 H THR 41 H THR 41 6.009 -8.481 6.566 285 HA THR 41 HA THR 41 7.026 -10.897 5.435 286 HB THR 41 HB THR 41 9.094 -9.919 6.241 287 HG1 THR 41 HG1 THR 41 9.811 -11.812 7.333 288 1HG2 THR 41 1HG2 THR 41 9.329 -10.163 8.871 289 2HG2 THR 41 2HG2 THR 41 7.614 -9.751 8.788 290 3HG2 THR 41 3HG2 THR 41 8.821 -8.671 8.063 291 H GLN 42 H GLN 42 5.846 -12.651 5.996 292 HA GLN 42 HA GLN 42 5.239 -13.466 8.504 293 1HB GLN 42 1HB GLN 42 3.680 -11.784 8.981 294 1HG GLN 42 1HG GLN 42 1.455 -13.014 8.840 295 1HE2 GLN 42 1HE2 GLN 42 4.450 -12.898 10.140 296 2HE2 GLN 42 2HE2 GLN 42 4.233 -13.948 11.493 297 H GLU 43 H GLU 43 2.932 -13.401 5.692 298 HA GLU 43 HA GLU 43 3.315 -16.285 5.723 299 1HB GLU 43 1HB GLU 43 0.912 -14.876 4.606 300 1HG GLU 43 1HG GLU 43 1.099 -14.384 7.017 301 H GLY 44 H GLY 44 2.887 -17.285 3.268 302 1HA GLY 44 1HA GLY 44 4.361 -15.274 1.733 303 2HA GLY 44 2HA GLY 44 4.406 -16.997 1.386 304 H ASN 45 H ASN 45 2.591 -14.211 1.412 305 HA ASN 45 HA ASN 45 1.870 -13.847 -1.150 306 1HB ASN 45 1HB ASN 45 -0.721 -14.090 -0.810 307 1HD2 ASN 45 1HD2 ASN 45 0.964 -15.041 1.866 308 2HD2 ASN 45 2HD2 ASN 45 -0.205 -16.081 2.579 309 H LYS 46 H LYS 46 2.835 -12.083 0.071 310 HA LYS 46 HA LYS 46 0.976 -10.206 1.059 311 1HB LYS 46 1HB LYS 46 1.869 -12.299 2.832 312 1HG LYS 46 1HG LYS 46 0.259 -9.990 3.694 313 1HD LYS 46 1HD LYS 46 0.634 -12.046 5.113 314 1HE LYS 46 1HE LYS 46 -0.776 -13.303 2.823 315 1HZ LYS 46 1HZ LYS 46 -1.084 -14.006 5.677 316 2HZ LYS 46 2HZ LYS 46 -1.188 -15.183 4.469 317 3HZ LYS 46 3HZ LYS 46 -2.280 -13.893 4.486 318 H PHE 47 H PHE 47 2.138 -8.344 2.266 319 HA PHE 47 HA PHE 47 4.956 -8.266 2.268 320 1HB PHE 47 1HB PHE 47 3.640 -6.826 -0.044 321 HD1 PHE 47 HD1 PHE 47 6.979 -8.292 0.668 322 HD2 PHE 47 HD2 PHE 47 3.438 -8.456 -1.684 323 HE1 PHE 47 HE1 PHE 47 7.991 -10.043 -0.729 324 HE2 PHE 47 HE2 PHE 47 4.445 -10.206 -3.083 325 HZ PHE 47 HZ PHE 47 6.726 -11.004 -2.609 326 H THR 48 H THR 48 4.977 -7.347 4.251 327 HA THR 48 HA THR 48 4.182 -4.665 4.571 328 HB THR 48 HB THR 48 2.111 -6.386 4.563 329 HG1 THR 48 HG1 THR 48 2.646 -3.774 5.311 330 1HG2 THR 48 1HG2 THR 48 2.794 -5.726 7.445 331 2HG2 THR 48 2HG2 THR 48 3.054 -7.303 6.680 332 3HG2 THR 48 3HG2 THR 48 1.403 -6.663 6.864 333 H VAL 49 H VAL 49 5.720 -3.979 5.952 334 HA VAL 49 HA VAL 49 5.606 -4.690 8.633 335 HB VAL 49 HB VAL 49 8.106 -5.686 7.228 336 1HG1 VAL 49 1HG1 VAL 49 7.515 -5.220 10.154 337 2HG1 VAL 49 2HG1 VAL 49 8.842 -6.237 9.587 338 3HG1 VAL 49 3HG1 VAL 49 8.806 -4.525 9.170 339 1HG2 VAL 49 1HG2 VAL 49 6.829 -7.416 9.228 340 2HG2 VAL 49 2HG2 VAL 49 5.924 -7.192 7.741 341 3HG2 VAL 49 3HG2 VAL 49 7.569 -7.807 7.668 342 H LYS 50 H LYS 50 5.831 -2.292 9.099 343 HA LYS 50 HA LYS 50 8.476 -1.398 8.614 344 1HB LYS 50 1HB LYS 50 7.438 0.471 6.959 345 1HG LYS 50 1HG LYS 50 6.086 -2.113 6.261 346 1HD LYS 50 1HD LYS 50 6.077 0.484 4.754 347 1HE LYS 50 1HE LYS 50 5.121 -2.280 4.019 348 1HZ LYS 50 1HZ LYS 50 5.667 -1.286 2.024 349 2HZ LYS 50 2HZ LYS 50 5.251 0.268 2.546 350 3HZ LYS 50 3HZ LYS 50 4.039 -0.858 2.193 351 H GLU 51 H GLU 51 8.622 -0.337 10.549 352 HA GLU 51 HA GLU 51 6.552 1.755 11.050 353 1HB GLU 51 1HB GLU 51 8.299 0.343 13.101 354 1HG GLU 51 1HG GLU 51 5.421 -0.329 12.563 355 H SER 52 H SER 52 7.972 3.325 9.837 356 HA SER 52 HA SER 52 9.629 4.726 11.664 357 1HB SER 52 1HB SER 52 11.644 3.958 11.171 358 HG SER 52 HG SER 52 11.893 3.789 8.602 359 H SER 53 H SER 53 9.461 6.793 11.260 360 HA SER 53 HA SER 53 9.569 7.953 8.709 361 1HB SER 53 1HB SER 53 6.856 7.806 9.994 362 HG SER 53 HG SER 53 7.907 7.109 7.461 363 H ASN 54 H ASN 54 10.968 9.473 9.382 364 HA ASN 54 HA ASN 54 11.714 11.404 10.312 365 1HB ASN 54 1HB ASN 54 8.890 11.641 11.364 366 1HD2 ASN 54 1HD2 ASN 54 10.736 11.393 8.646 367 2HD2 ASN 54 2HD2 ASN 54 9.786 12.354 7.573 368 H PHE 55 H PHE 55 9.796 9.386 12.524 369 HA PHE 55 HA PHE 55 11.941 9.034 14.319 370 1HB PHE 55 1HB PHE 55 11.396 11.386 14.898 371 HD1 PHE 55 HD1 PHE 55 13.097 9.439 16.108 372 HD2 PHE 55 HD2 PHE 55 9.436 11.053 17.557 373 HE1 PHE 55 HE1 PHE 55 13.802 8.955 18.415 374 HE2 PHE 55 HE2 PHE 55 10.135 10.573 19.866 375 HZ PHE 55 HZ PHE 55 12.320 9.524 20.298 376 H ARG 56 H ARG 56 8.456 9.072 13.826 377 HA ARG 56 HA ARG 56 8.297 6.415 15.060 378 1HB ARG 56 1HB ARG 56 6.344 8.670 15.572 379 1HG ARG 56 1HG ARG 56 8.406 8.884 16.908 380 1HD ARG 56 1HD ARG 56 7.597 6.186 17.983 381 HE ARG 56 HE ARG 56 9.060 8.196 19.275 382 1HH1 ARG 56 1HH1 ARG 56 9.297 4.806 18.504 383 2HH1 ARG 56 2HH1 ARG 56 10.276 4.431 19.882 384 1HH2 ARG 56 1HH2 ARG 56 10.351 7.712 21.088 385 2HH2 ARG 56 2HH2 ARG 56 10.876 6.083 21.352 386 H ASN 57 H ASN 57 7.152 4.982 13.862 387 HA ASN 57 HA ASN 57 4.986 5.688 12.209 388 1HB ASN 57 1HB ASN 57 7.155 6.336 10.844 389 1HD2 ASN 57 1HD2 ASN 57 5.310 7.386 10.092 390 2HD2 ASN 57 2HD2 ASN 57 4.344 6.725 8.817 391 H ILE 58 H ILE 58 4.364 3.763 10.873 392 HA ILE 58 HA ILE 58 5.345 1.262 11.397 393 HB ILE 58 HB ILE 58 4.657 1.305 13.529 394 1HG1 ILE 58 1HG1 ILE 58 2.435 0.051 11.850 395 1HG2 ILE 58 1HG2 ILE 58 2.586 2.215 14.370 396 2HG2 ILE 58 2HG2 ILE 58 3.369 3.420 13.336 397 3HG2 ILE 58 3HG2 ILE 58 1.994 2.485 12.730 398 1HD1 ILE 58 1HD1 ILE 58 3.244 -0.995 14.520 399 2HD1 ILE 58 2HD1 ILE 58 2.058 0.309 14.441 400 3HD1 ILE 58 3HD1 ILE 58 1.738 -1.224 13.628 401 H ASP 59 H ASP 59 4.548 -0.134 10.051 402 HA ASP 59 HA ASP 59 1.986 0.314 8.914 403 1HB ASP 59 1HB ASP 59 3.627 1.850 7.727 404 H VAL 60 H VAL 60 1.558 -1.705 9.616 405 HA VAL 60 HA VAL 60 2.910 -3.867 8.132 406 HB VAL 60 HB VAL 60 2.782 -5.332 10.112 407 1HG1 VAL 60 1HG1 VAL 60 4.661 -3.445 9.510 408 2HG1 VAL 60 2HG1 VAL 60 4.337 -3.111 11.211 409 3HG1 VAL 60 3HG1 VAL 60 4.851 -4.722 10.711 410 1HG2 VAL 60 1HG2 VAL 60 2.321 -2.910 11.820 411 2HG2 VAL 60 2HG2 VAL 60 0.954 -3.834 11.196 412 3HG2 VAL 60 3HG2 VAL 60 2.147 -4.616 12.234 413 H VAL 61 H VAL 61 1.374 -4.426 6.761 414 HA VAL 61 HA VAL 61 -1.046 -5.625 7.801 415 HB VAL 61 HB VAL 61 -2.441 -4.562 5.987 416 1HG1 VAL 61 1HG1 VAL 61 -3.190 -3.041 7.469 417 2HG1 VAL 61 2HG1 VAL 61 -1.988 -3.766 8.537 418 3HG1 VAL 61 3HG1 VAL 61 -1.605 -2.288 7.653 419 1HG2 VAL 61 1HG2 VAL 61 -1.383 -2.175 5.464 420 2HG2 VAL 61 2HG2 VAL 61 0.111 -3.100 5.612 421 3HG2 VAL 61 3HG2 VAL 61 -1.108 -3.576 4.429 422 H PHE 62 H PHE 62 -0.522 -7.599 7.196 423 HA PHE 62 HA PHE 62 0.453 -8.221 4.561 424 1HB PHE 62 1HB PHE 62 0.894 -9.224 7.214 425 HD1 PHE 62 HD1 PHE 62 2.055 -12.003 6.007 426 HD2 PHE 62 HD2 PHE 62 2.420 -7.908 5.079 427 HE1 PHE 62 HE1 PHE 62 4.236 -12.436 4.917 428 HE2 PHE 62 HE2 PHE 62 4.552 -8.324 4.054 429 HZ PHE 62 HZ PHE 62 5.490 -10.537 3.883 430 H GLU 63 H GLU 63 -0.974 -8.737 3.056 431 HA GLU 63 HA GLU 63 -3.058 -10.656 3.495 432 1HB GLU 63 1HB GLU 63 -3.705 -7.926 3.832 433 1HG GLU 63 1HG GLU 63 -4.905 -9.689 4.952 434 H LEU 64 H LEU 64 -3.127 -11.859 1.789 435 HA LEU 64 HA LEU 64 -1.785 -11.480 -0.593 436 1HB LEU 64 1HB LEU 64 -2.794 -13.596 0.114 437 HG LEU 64 HG LEU 64 -2.560 -13.078 -2.437 438 1HD1 LEU 64 1HD1 LEU 64 -4.175 -15.299 -2.627 439 2HD1 LEU 64 2HD1 LEU 64 -2.456 -15.299 -2.232 440 3HD1 LEU 64 3HD1 LEU 64 -3.659 -15.319 -0.941 441 1HD2 LEU 64 1HD2 LEU 64 -4.772 -13.401 -3.580 442 2HD2 LEU 64 2HD2 LEU 64 -5.545 -13.086 -2.026 443 3HD2 LEU 64 3HD2 LEU 64 -4.565 -11.837 -2.793 444 H GLY 65 H GLY 65 -4.486 -10.046 0.788 445 1HA GLY 65 1HA GLY 65 -4.783 -8.168 -1.368 446 2HA GLY 65 2HA GLY 65 -6.231 -9.108 -1.066 447 H VAL 66 H VAL 66 -4.172 -6.609 0.049 448 HA VAL 66 HA VAL 66 -5.597 -6.272 2.536 449 HB VAL 66 HB VAL 66 -2.905 -5.992 1.901 450 1HG1 VAL 66 1HG1 VAL 66 -2.291 -3.744 2.306 451 2HG1 VAL 66 2HG1 VAL 66 -3.520 -3.710 1.041 452 3HG1 VAL 66 3HG1 VAL 66 -3.947 -3.287 2.700 453 1HG2 VAL 66 1HG2 VAL 66 -2.616 -5.881 4.165 454 2HG2 VAL 66 2HG2 VAL 66 -3.949 -4.751 4.395 455 3HG2 VAL 66 3HG2 VAL 66 -4.282 -6.459 4.111 456 H ASP 67 H ASP 67 -5.655 -3.844 3.272 457 HA ASP 67 HA ASP 67 -6.591 -2.098 1.161 458 1HB ASP 67 1HB ASP 67 -8.258 -2.065 3.619 459 H PHE 68 H PHE 68 -6.106 -0.046 1.464 460 HA PHE 68 HA PHE 68 -4.781 0.751 3.965 461 1HB PHE 68 1HB PHE 68 -4.259 1.472 1.086 462 HD1 PHE 68 HD1 PHE 68 -1.445 2.478 2.015 463 HD2 PHE 68 HD2 PHE 68 -3.596 -1.147 2.592 464 HE1 PHE 68 HE1 PHE 68 0.679 1.265 2.267 465 HE2 PHE 68 HE2 PHE 68 -1.474 -2.365 2.844 466 HZ PHE 68 HZ PHE 68 0.666 -1.161 2.682 467 H ALA 69 H ALA 69 -5.373 2.740 4.799 468 HA ALA 69 HA ALA 69 -6.806 4.520 3.173 469 1HB ALA 69 1HB ALA 69 -8.420 2.998 5.222 470 2HB ALA 69 2HB ALA 69 -8.978 4.455 4.398 471 3HB ALA 69 3HB ALA 69 -8.625 2.996 3.466 472 H TYR 70 H TYR 70 -5.549 6.005 3.785 473 HA TYR 70 HA TYR 70 -6.084 7.625 6.022 474 1HB TYR 70 1HB TYR 70 -3.228 7.250 6.195 475 HD1 TYR 70 HD1 TYR 70 -4.583 5.221 8.699 476 HD2 TYR 70 HD2 TYR 70 -3.094 5.061 4.724 477 HE1 TYR 70 HE1 TYR 70 -4.108 2.823 8.979 478 HE2 TYR 70 HE2 TYR 70 -2.621 2.665 4.985 479 HH TYR 70 HH TYR 70 -2.557 0.949 6.390 480 H SER 71 H SER 71 -4.851 9.704 5.709 481 HA SER 71 HA SER 71 -4.300 9.823 2.879 482 1HB SER 71 1HB SER 71 -5.989 11.336 3.609 483 HG SER 71 HG SER 71 -5.121 12.580 2.197 484 H LEU 72 H LEU 72 -2.405 9.288 2.506 485 HA LEU 72 HA LEU 72 -0.123 9.267 3.939 486 1HB LEU 72 1HB LEU 72 -0.754 8.578 1.440 487 HG LEU 72 HG LEU 72 2.171 9.126 1.813 488 1HD1 LEU 72 1HD1 LEU 72 0.577 7.046 3.314 489 2HD1 LEU 72 2HD1 LEU 72 2.337 7.097 3.207 490 3HD1 LEU 72 3HD1 LEU 72 1.464 8.399 4.017 491 1HD2 LEU 72 1HD2 LEU 72 0.874 6.562 0.966 492 2HD2 LEU 72 2HD2 LEU 72 1.006 7.900 -0.171 493 3HD2 LEU 72 3HD2 LEU 72 2.461 7.199 0.539 494 H ALA 73 H ALA 73 -1.544 12.023 2.330 495 HA ALA 73 HA ALA 73 0.731 13.743 2.836 496 1HB ALA 73 1HB ALA 73 -1.262 13.799 0.976 497 2HB ALA 73 2HB ALA 73 -1.815 15.012 2.130 498 3HB ALA 73 3HB ALA 73 -0.225 15.166 1.383 499 H ASP 74 H ASP 74 -2.652 13.526 3.929 500 HA ASP 74 HA ASP 74 -2.156 13.982 6.630 501 1HB ASP 74 1HB ASP 74 -1.438 16.234 5.906 502 H GLY 75 H GLY 75 -3.955 13.450 7.764 503 1HA GLY 75 1HA GLY 75 -6.251 13.320 8.239 504 2HA GLY 75 2HA GLY 75 -6.597 13.895 6.610 505 H THR 76 H THR 76 -7.779 12.403 5.591 506 HA THR 76 HA THR 76 -6.785 9.638 5.591 507 HB THR 76 HB THR 76 -9.263 8.935 5.496 508 HG1 THR 76 HG1 THR 76 -10.099 10.868 7.147 509 1HG2 THR 76 1HG2 THR 76 -8.992 8.227 7.613 510 2HG2 THR 76 2HG2 THR 76 -8.853 9.870 8.237 511 3HG2 THR 76 3HG2 THR 76 -7.442 9.065 7.551 512 H GLU 77 H GLU 77 -6.297 9.101 3.685 513 HA GLU 77 HA GLU 77 -8.033 9.239 1.437 514 1HB GLU 77 1HB GLU 77 -7.437 11.498 1.418 515 1HG GLU 77 1HG GLU 77 -5.390 10.226 -0.316 516 H LEU 78 H LEU 78 -7.549 7.010 1.286 517 HA LEU 78 HA LEU 78 -5.316 6.391 -0.201 518 1HB LEU 78 1HB LEU 78 -4.050 6.739 1.804 519 HG LEU 78 HG LEU 78 -4.229 3.777 1.419 520 1HD1 LEU 78 1HD1 LEU 78 -1.952 4.512 0.160 521 2HD1 LEU 78 2HD1 LEU 78 -3.502 4.374 -0.670 522 3HD1 LEU 78 3HD1 LEU 78 -2.928 5.952 -0.133 523 1HD2 LEU 78 1HD2 LEU 78 -2.702 3.617 3.016 524 2HD2 LEU 78 2HD2 LEU 78 -1.637 4.705 2.128 525 3HD2 LEU 78 3HD2 LEU 78 -2.800 5.357 3.282 526 H THR 79 H THR 79 -4.794 4.094 -0.326 527 HA THR 79 HA THR 79 -7.069 2.296 -0.126 528 HB THR 79 HB THR 79 -7.266 1.986 -2.320 529 HG1 THR 79 HG1 THR 79 -5.172 1.024 -2.409 530 1HG2 THR 79 1HG2 THR 79 -7.137 4.490 -1.934 531 2HG2 THR 79 2HG2 THR 79 -6.990 3.932 -3.606 532 3HG2 THR 79 3HG2 THR 79 -5.550 4.423 -2.702 533 H GLY 80 H GLY 80 -6.545 0.232 -0.238 534 1HA GLY 80 1HA GLY 80 -3.880 -0.325 -0.869 535 2HA GLY 80 2HA GLY 80 -4.307 -0.647 0.762 536 H THR 81 H THR 81 -3.302 -2.293 -1.133 537 HA THR 81 HA THR 81 -4.562 -4.604 -0.555 538 HB THR 81 HB THR 81 -4.852 -4.314 -3.473 539 HG1 THR 81 HG1 THR 81 -7.114 -3.912 -3.049 540 1HG2 THR 81 1HG2 THR 81 -6.153 -6.010 -1.367 541 2HG2 THR 81 2HG2 THR 81 -4.919 -6.513 -2.528 542 3HG2 THR 81 3HG2 THR 81 -6.534 -6.081 -3.088 543 H TRP 82 H TRP 82 -3.306 -6.260 -1.154 544 HA TRP 82 HA TRP 82 -1.125 -5.667 -2.916 545 1HB TRP 82 1HB TRP 82 -0.727 -6.492 -0.029 546 HD1 TRP 82 HD1 TRP 82 -1.779 -4.125 0.655 547 HE1 TRP 82 HE1 TRP 82 -1.049 -1.710 0.291 548 HE3 TRP 82 HE3 TRP 82 1.939 -5.015 -2.630 549 HZ2 TRP 82 HZ2 TRP 82 0.966 -0.314 -1.240 550 HZ3 TRP 82 HZ3 TRP 82 3.245 -3.155 -3.505 551 HH2 TRP 82 HH2 TRP 82 2.744 -0.855 -2.882 552 H THR 83 H THR 83 -1.534 -7.146 -4.379 553 HA THR 83 HA THR 83 -1.755 -9.928 -3.499 554 HB THR 83 HB THR 83 -3.029 -8.920 -6.023 555 HG1 THR 83 HG1 THR 83 -3.970 -7.670 -4.414 556 1HG2 THR 83 1HG2 THR 83 -2.820 -11.434 -4.697 557 2HG2 THR 83 2HG2 THR 83 -3.613 -11.055 -6.226 558 3HG2 THR 83 3HG2 THR 83 -4.515 -10.945 -4.715 559 H MET 84 H MET 84 0.255 -10.615 -3.896 560 HA MET 84 HA MET 84 1.028 -10.990 -6.596 561 1HB MET 84 1HB MET 84 3.273 -9.952 -6.288 562 1HG MET 84 1HG MET 84 3.306 -9.502 -3.977 563 1HE MET 84 1HE MET 84 0.281 -9.108 -1.898 564 2HE MET 84 2HE MET 84 1.165 -10.272 -2.891 565 3HE MET 84 3HE MET 84 2.026 -9.282 -1.708 566 H GLU 85 H GLU 85 3.235 -11.825 -6.726 567 HA GLU 85 HA GLU 85 3.597 -13.941 -4.756 568 1HB GLU 85 1HB GLU 85 4.770 -13.568 -7.518 569 1HG GLU 85 1HG GLU 85 2.577 -15.431 -6.622 570 H GLY 86 H GLY 86 6.154 -14.470 -4.631 571 1HA GLY 86 1HA GLY 86 7.265 -11.939 -3.711 572 2HA GLY 86 2HA GLY 86 7.943 -13.541 -3.408 573 H ASN 87 H ASN 87 7.822 -10.848 -5.316 574 HA ASN 87 HA ASN 87 10.190 -10.838 -6.595 575 1HB ASN 87 1HB ASN 87 9.497 -12.969 -7.717 576 1HD2 ASN 87 1HD2 ASN 87 8.354 -11.590 -10.416 577 2HD2 ASN 87 2HD2 ASN 87 9.832 -11.123 -11.177 578 H LYS 88 H LYS 88 6.933 -10.095 -6.202 579 HA LYS 88 HA LYS 88 7.303 -7.415 -7.188 580 1HB LYS 88 1HB LYS 88 5.803 -7.363 -8.897 581 1HG LYS 88 1HG LYS 88 4.028 -8.518 -7.413 582 1HD LYS 88 1HD LYS 88 5.063 -10.728 -7.323 583 1HE LYS 88 1HE LYS 88 4.464 -10.753 -10.284 584 1HZ LYS 88 1HZ LYS 88 4.020 -12.869 -8.862 585 2HZ LYS 88 2HZ LYS 88 5.709 -13.007 -8.886 586 3HZ LYS 88 3HZ LYS 88 4.840 -12.987 -10.338 587 H LEU 89 H LEU 89 5.360 -6.154 -6.953 588 HA LEU 89 HA LEU 89 3.540 -6.902 -4.794 589 1HB LEU 89 1HB LEU 89 4.580 -4.181 -5.542 590 HG LEU 89 HG LEU 89 6.257 -5.219 -4.098 591 1HD1 LEU 89 1HD1 LEU 89 6.444 -3.529 -2.543 592 2HD1 LEU 89 2HD1 LEU 89 5.392 -2.803 -3.762 593 3HD1 LEU 89 3HD1 LEU 89 4.701 -3.445 -2.273 594 1HD2 LEU 89 1HD2 LEU 89 4.372 -5.505 -1.850 595 2HD2 LEU 89 2HD2 LEU 89 4.244 -6.709 -3.137 596 3HD2 LEU 89 3HD2 LEU 89 5.776 -6.477 -2.287 597 H VAL 90 H VAL 90 1.410 -6.620 -5.314 598 HA VAL 90 HA VAL 90 0.640 -4.620 -7.119 599 HB VAL 90 HB VAL 90 1.259 -5.909 -8.943 600 1HG1 VAL 90 1HG1 VAL 90 1.104 -8.086 -7.256 601 2HG1 VAL 90 2HG1 VAL 90 -0.127 -8.405 -8.476 602 3HG1 VAL 90 3HG1 VAL 90 1.542 -8.116 -8.965 603 1HG2 VAL 90 1HG2 VAL 90 -0.688 -6.095 -10.119 604 2HG2 VAL 90 2HG2 VAL 90 -1.536 -6.893 -8.792 605 3HG2 VAL 90 3HG2 VAL 90 -1.226 -5.153 -8.721 606 H GLY 91 H GLY 91 -0.876 -3.964 -5.897 607 1HA GLY 91 1HA GLY 91 -3.325 -5.420 -5.570 608 2HA GLY 91 2HA GLY 91 -2.390 -5.264 -4.085 609 H LYS 92 H LYS 92 -5.053 -4.081 -4.882 610 HA LYS 92 HA LYS 92 -4.322 -1.455 -4.077 611 1HB LYS 92 1HB LYS 92 -3.758 -1.144 -6.219 612 1HG LYS 92 1HG LYS 92 -6.113 0.131 -5.399 613 1HD LYS 92 1HD LYS 92 -7.677 0.080 -6.990 614 1HE LYS 92 1HE LYS 92 -7.108 -2.384 -6.688 615 1HZ LYS 92 1HZ LYS 92 -6.492 -3.098 -9.200 616 2HZ LYS 92 2HZ LYS 92 -5.367 -3.010 -7.940 617 3HZ LYS 92 3HZ LYS 92 -5.531 -1.714 -9.018 618 H PHE 93 H PHE 93 -5.838 -0.009 -3.764 619 HA PHE 93 HA PHE 93 -8.608 -0.805 -3.620 620 1HB PHE 93 1HB PHE 93 -6.849 -0.472 -1.387 621 HD1 PHE 93 HD1 PHE 93 -9.716 0.219 0.149 622 HD2 PHE 93 HD2 PHE 93 -8.195 -2.738 -2.492 623 HE1 PHE 93 HE1 PHE 93 -11.378 -1.382 1.007 624 HE2 PHE 93 HE2 PHE 93 -9.853 -4.358 -1.641 625 HZ PHE 93 HZ PHE 93 -11.451 -3.678 0.109 626 H LYS 94 H LYS 94 -9.807 1.157 -2.776 627 HA LYS 94 HA LYS 94 -8.937 3.313 -4.439 628 1HB LYS 94 1HB LYS 94 -11.079 3.947 -4.662 629 1HG LYS 94 1HG LYS 94 -11.459 4.068 -2.219 630 1HD LYS 94 1HD LYS 94 -12.740 1.370 -2.375 631 1HE LYS 94 1HE LYS 94 -13.000 3.017 -0.448 632 1HZ LYS 94 1HZ LYS 94 -11.136 2.688 1.225 633 2HZ LYS 94 2HZ LYS 94 -10.845 3.777 -0.033 634 3HZ LYS 94 3HZ LYS 94 -10.161 2.227 -0.084 635 H ARG 95 H ARG 95 -9.062 5.435 -3.567 636 HA ARG 95 HA ARG 95 -7.853 5.518 -1.035 637 1HB ARG 95 1HB ARG 95 -7.530 7.736 -1.329 638 1HG ARG 95 1HG ARG 95 -9.603 8.100 -3.420 639 1HD ARG 95 1HD ARG 95 -9.313 10.394 -2.806 640 HE ARG 95 HE ARG 95 -7.454 10.286 -4.114 641 1HH1 ARG 95 1HH1 ARG 95 -6.656 8.661 -1.109 642 2HH1 ARG 95 2HH1 ARG 95 -5.019 8.345 -1.598 643 1HH2 ARG 95 1HH2 ARG 95 -5.322 9.872 -4.717 644 2HH2 ARG 95 2HH2 ARG 95 -4.267 9.034 -3.630 645 H VAL 96 H VAL 96 -8.399 7.600 0.250 646 HA VAL 96 HA VAL 96 -11.053 7.076 1.460 647 HB VAL 96 HB VAL 96 -8.836 8.605 2.794 648 1HG1 VAL 96 1HG1 VAL 96 -10.123 7.629 4.820 649 2HG1 VAL 96 2HG1 VAL 96 -10.827 8.979 3.929 650 3HG1 VAL 96 3HG1 VAL 96 -11.417 7.340 3.656 651 1HG2 VAL 96 1HG2 VAL 96 -7.673 6.693 2.747 652 2HG2 VAL 96 2HG2 VAL 96 -8.771 6.205 4.040 653 3HG2 VAL 96 3HG2 VAL 96 -9.084 5.703 2.377 654 H ASP 97 H ASP 97 -8.969 9.623 0.130 655 HA ASP 97 HA ASP 97 -10.312 11.848 1.158 656 1HB ASP 97 1HB ASP 97 -8.315 11.868 -0.482 657 H ASN 98 H ASN 98 -11.006 9.645 -1.425 658 HA ASN 98 HA ASN 98 -13.826 10.144 -1.128 659 1HB ASN 98 1HB ASN 98 -12.402 10.700 -3.743 660 1HD2 ASN 98 1HD2 ASN 98 -11.933 12.746 -3.884 661 2HD2 ASN 98 2HD2 ASN 98 -12.798 14.049 -3.150 662 H GLY 99 H GLY 99 -12.310 8.797 -3.951 663 1HA GLY 99 1HA GLY 99 -11.907 6.216 -2.921 664 2HA GLY 99 2HA GLY 99 -13.469 6.271 -3.757 665 H LYS 100 H LYS 100 -10.122 6.079 -3.959 666 HA LYS 100 HA LYS 100 -10.366 5.911 -6.858 667 1HB LYS 100 1HB LYS 100 -7.986 7.177 -5.674 668 1HG LYS 100 1HG LYS 100 -10.301 8.729 -6.783 669 1HD LYS 100 1HD LYS 100 -7.860 9.308 -5.217 670 1HE LYS 100 1HE LYS 100 -10.264 11.044 -5.678 671 1HZ LYS 100 1HZ LYS 100 -8.984 12.815 -5.966 672 2HZ LYS 100 2HZ LYS 100 -7.586 11.863 -5.924 673 3HZ LYS 100 3HZ LYS 100 -8.208 12.513 -4.492 674 H GLU 101 H GLU 101 -10.099 3.863 -7.133 675 HA GLU 101 HA GLU 101 -7.966 2.530 -5.713 676 1HB GLU 101 1HB GLU 101 -9.136 0.494 -6.089 677 1HG GLU 101 1HG GLU 101 -10.977 1.996 -7.924 678 H LEU 102 H LEU 102 -6.134 2.541 -6.716 679 HA LEU 102 HA LEU 102 -5.653 1.178 -9.147 680 1HB LEU 102 1HB LEU 102 -5.545 4.170 -9.224 681 HG LEU 102 HG LEU 102 -7.522 3.374 -10.292 682 1HD1 LEU 102 1HD1 LEU 102 -5.654 3.659 -12.607 683 2HD1 LEU 102 2HD1 LEU 102 -7.280 4.305 -12.395 684 3HD1 LEU 102 3HD1 LEU 102 -5.929 5.009 -11.508 685 1HD2 LEU 102 1HD2 LEU 102 -5.973 1.550 -12.088 686 2HD2 LEU 102 2HD2 LEU 102 -6.477 0.997 -10.488 687 3HD2 LEU 102 3HD2 LEU 102 -7.686 1.519 -11.665 688 H ILE 103 H ILE 103 -4.024 0.047 -8.244 689 HA ILE 103 HA ILE 103 -1.552 1.370 -7.737 690 HB ILE 103 HB ILE 103 -3.265 0.565 -5.400 691 1HG1 ILE 103 1HG1 ILE 103 -1.154 2.595 -5.125 692 1HG2 ILE 103 1HG2 ILE 103 -1.693 -0.545 -4.301 693 2HG2 ILE 103 2HG2 ILE 103 -0.626 -0.444 -5.701 694 3HG2 ILE 103 3HG2 ILE 103 -0.586 0.817 -4.470 695 1HD1 ILE 103 1HD1 ILE 103 -2.875 2.233 -3.454 696 2HD1 ILE 103 2HD1 ILE 103 -2.972 3.858 -4.142 697 3HD1 ILE 103 3HD1 ILE 103 -4.118 2.610 -4.652 698 H ALA 104 H ALA 104 0.008 -0.091 -8.415 699 HA ALA 104 HA ALA 104 0.103 -2.734 -7.382 700 1HB ALA 104 1HB ALA 104 -0.216 -3.306 -10.124 701 2HB ALA 104 2HB ALA 104 -1.120 -3.867 -8.713 702 3HB ALA 104 3HB ALA 104 -1.612 -2.395 -9.540 703 H VAL 105 H VAL 105 2.296 -2.635 -7.044 704 HA VAL 105 HA VAL 105 3.997 -3.121 -9.220 705 HB VAL 105 HB VAL 105 3.630 -0.280 -8.584 706 1HG1 VAL 105 1HG1 VAL 105 5.740 -1.043 -7.246 707 2HG1 VAL 105 2HG1 VAL 105 6.514 -1.066 -8.832 708 3HG1 VAL 105 3HG1 VAL 105 5.804 0.429 -8.214 709 1HG2 VAL 105 1HG2 VAL 105 4.596 -2.003 -10.777 710 2HG2 VAL 105 2HG2 VAL 105 3.579 -0.562 -10.824 711 3HG2 VAL 105 3HG2 VAL 105 5.330 -0.401 -10.696 712 H ARG 106 H ARG 106 6.089 -3.801 -8.490 713 HA ARG 106 HA ARG 106 6.107 -3.870 -5.589 714 1HB ARG 106 1HB ARG 106 6.559 -6.050 -6.542 715 1HG ARG 106 1HG ARG 106 9.188 -5.818 -5.571 716 1HD ARG 106 1HD ARG 106 6.529 -6.640 -4.470 717 HE ARG 106 HE ARG 106 8.517 -8.029 -3.129 718 1HH1 ARG 106 1HH1 ARG 106 7.644 -4.661 -3.276 719 2HH1 ARG 106 2HH1 ARG 106 7.687 -4.436 -1.522 720 1HH2 ARG 106 1HH2 ARG 106 8.521 -7.742 -0.774 721 2HH2 ARG 106 2HH2 ARG 106 8.104 -6.129 -0.150 722 H GLU 107 H GLU 107 7.794 -3.440 -4.551 723 HA GLU 107 HA GLU 107 9.517 -1.492 -5.769 724 1HB GLU 107 1HB GLU 107 9.944 -0.982 -3.268 725 1HG GLU 107 1HG GLU 107 7.586 -2.817 -3.154 726 H ILE 108 H ILE 108 11.113 -2.725 -6.649 727 HA ILE 108 HA ILE 108 13.019 -3.925 -4.936 728 HB ILE 108 HB ILE 108 11.324 -5.718 -6.697 729 1HG1 ILE 108 1HG1 ILE 108 11.978 -5.774 -3.741 730 1HG2 ILE 108 1HG2 ILE 108 13.726 -6.103 -7.049 731 2HG2 ILE 108 2HG2 ILE 108 13.898 -6.452 -5.330 732 3HG2 ILE 108 3HG2 ILE 108 12.894 -7.490 -6.344 733 1HD1 ILE 108 1HD1 ILE 108 11.263 -7.971 -5.436 734 2HD1 ILE 108 2HD1 ILE 108 11.548 -7.948 -3.694 735 3HD1 ILE 108 3HD1 ILE 108 9.937 -7.605 -4.328 736 H SER 109 H SER 109 14.935 -3.580 -5.844 737 HA SER 109 HA SER 109 15.583 -4.198 -8.545 738 1HB SER 109 1HB SER 109 15.441 -1.252 -7.817 739 HG SER 109 HG SER 109 14.224 -1.391 -9.941 740 H GLY 110 H GLY 110 17.469 -5.268 -7.856 741 1HA GLY 110 1HA GLY 110 19.454 -5.569 -6.640 742 2HA GLY 110 2HA GLY 110 19.800 -3.918 -7.180 743 H ASN 111 H ASN 111 20.001 -2.416 -5.597 744 HA ASN 111 HA ASN 111 18.436 -2.942 -3.154 745 1HB ASN 111 1HB ASN 111 20.089 -1.522 -1.928 746 1HD2 ASN 111 1HD2 ASN 111 21.305 0.191 -2.134 747 2HD2 ASN 111 2HD2 ASN 111 22.399 0.525 -3.429 748 H GLU 112 H GLU 112 16.690 -1.998 -4.039 749 HA GLU 112 HA GLU 112 16.351 0.787 -3.803 750 1HB GLU 112 1HB GLU 112 17.462 1.131 -5.843 751 1HG GLU 112 1HG GLU 112 14.581 0.724 -6.600 752 H LEU 113 H LEU 113 14.063 1.273 -3.819 753 HA LEU 113 HA LEU 113 12.429 -1.038 -4.614 754 1HB LEU 113 1HB LEU 113 12.563 0.281 -1.995 755 HG LEU 113 HG LEU 113 11.389 -2.256 -3.118 756 1HD1 LEU 113 1HD1 LEU 113 13.935 -1.752 -2.915 757 2HD1 LEU 113 2HD1 LEU 113 13.656 -2.251 -1.250 758 3HD1 LEU 113 3HD1 LEU 113 13.265 -3.351 -2.575 759 1HD2 LEU 113 1HD2 LEU 113 10.680 -1.113 -0.675 760 2HD2 LEU 113 2HD2 LEU 113 10.321 -2.740 -1.268 761 3HD2 LEU 113 3HD2 LEU 113 11.776 -2.447 -0.306 762 H ILE 114 H ILE 114 10.399 -0.632 -5.334 763 HA ILE 114 HA ILE 114 9.843 2.084 -6.316 764 HB ILE 114 HB ILE 114 8.922 -0.237 -7.883 765 1HG1 ILE 114 1HG1 ILE 114 11.241 -0.823 -7.256 766 1HG2 ILE 114 1HG2 ILE 114 8.449 1.454 -9.256 767 2HG2 ILE 114 2HG2 ILE 114 9.298 2.594 -8.211 768 3HG2 ILE 114 3HG2 ILE 114 10.178 1.730 -9.474 769 1HD1 ILE 114 1HD1 ILE 114 12.099 1.651 -8.754 770 2HD1 ILE 114 2HD1 ILE 114 12.113 1.498 -6.991 771 3HD1 ILE 114 3HD1 ILE 114 13.133 0.447 -7.982 772 H GLN 115 H GLN 115 8.011 2.725 -5.627 773 HA GLN 115 HA GLN 115 5.919 0.725 -5.238 774 1HB GLN 115 1HB GLN 115 6.699 3.098 -3.553 775 1HG GLN 115 1HG GLN 115 6.399 0.120 -3.065 776 1HE2 GLN 115 1HE2 GLN 115 8.484 1.498 -0.953 777 2HE2 GLN 115 2HE2 GLN 115 7.448 1.644 0.423 778 H THR 116 H THR 116 4.719 0.994 -7.010 779 HA THR 116 HA THR 116 4.143 3.682 -7.901 780 HB THR 116 HB THR 116 3.209 1.208 -9.283 781 HG1 THR 116 HG1 THR 116 5.722 1.908 -8.916 782 1HG2 THR 116 1HG2 THR 116 3.966 3.789 -10.538 783 2HG2 THR 116 2HG2 THR 116 2.388 3.606 -9.769 784 3HG2 THR 116 3HG2 THR 116 2.842 2.558 -11.114 785 H TYR 117 H TYR 117 2.379 4.621 -7.246 786 HA TYR 117 HA TYR 117 0.112 2.919 -6.622 787 1HB TYR 117 1HB TYR 117 0.292 5.763 -5.682 788 HD1 TYR 117 HD1 TYR 117 0.195 3.031 -3.381 789 HD2 TYR 117 HD2 TYR 117 2.879 5.806 -5.241 790 HE1 TYR 117 HE1 TYR 117 1.891 2.519 -1.691 791 HE2 TYR 117 HE2 TYR 117 4.572 5.280 -3.550 792 HH TYR 117 HH TYR 117 4.939 2.992 -1.943 793 H THR 118 H THR 118 -1.929 4.066 -6.983 794 HA THR 118 HA THR 118 -1.971 6.054 -9.053 795 HB THR 118 HB THR 118 -3.289 3.394 -9.693 796 HG1 THR 118 HG1 THR 118 -0.857 3.990 -10.928 797 1HG2 THR 118 1HG2 THR 118 -3.963 5.332 -11.038 798 2HG2 THR 118 2HG2 THR 118 -2.924 4.301 -12.022 799 3HG2 THR 118 3HG2 THR 118 -2.269 5.794 -11.314 800 H TYR 119 H TYR 119 -4.318 6.719 -9.483 801 HA TYR 119 HA TYR 119 -6.342 5.730 -7.737 802 1HB TYR 119 1HB TYR 119 -6.482 7.765 -6.278 803 HD1 TYR 119 HD1 TYR 119 -2.789 7.513 -6.503 804 HD2 TYR 119 HD2 TYR 119 -6.201 9.994 -7.228 805 HE1 TYR 119 HE1 TYR 119 -1.324 9.484 -6.801 806 HE2 TYR 119 HE2 TYR 119 -4.731 11.940 -7.515 807 HH TYR 119 HH TYR 119 -1.260 11.806 -6.910 808 H GLU 120 H GLU 120 -7.767 5.799 -9.282 809 HA GLU 120 HA GLU 120 -9.285 6.663 -10.770 810 1HB GLU 120 1HB GLU 120 -7.943 9.348 -10.314 811 1HG GLU 120 1HG GLU 120 -10.456 8.256 -9.076 812 H GLY 121 H GLY 121 -6.204 8.397 -10.940 813 1HA GLY 121 1HA GLY 121 -5.082 6.729 -12.819 814 2HA GLY 121 2HA GLY 121 -5.733 8.118 -13.692 815 H VAL 122 H VAL 122 -3.293 6.943 -11.529 816 HA VAL 122 HA VAL 122 -1.508 9.007 -12.231 817 HB VAL 122 HB VAL 122 -2.437 9.005 -9.354 818 1HG1 VAL 122 1HG1 VAL 122 -0.261 9.321 -8.922 819 2HG1 VAL 122 2HG1 VAL 122 0.107 9.786 -10.584 820 3HG1 VAL 122 3HG1 VAL 122 -0.593 10.962 -9.474 821 1HG2 VAL 122 1HG2 VAL 122 -2.273 11.607 -10.101 822 2HG2 VAL 122 2HG2 VAL 122 -2.875 10.850 -11.581 823 3HG2 VAL 122 3HG2 VAL 122 -3.767 10.659 -10.067 824 H GLU 123 H GLU 123 0.139 7.547 -12.661 825 HA GLU 123 HA GLU 123 0.633 5.689 -10.476 826 1HB GLU 123 1HB GLU 123 1.964 4.359 -11.823 827 1HG GLU 123 1HG GLU 123 3.366 6.010 -12.917 828 H ALA 124 H ALA 124 2.478 5.719 -9.336 829 HA ALA 124 HA ALA 124 4.636 7.523 -9.934 830 1HB ALA 124 1HB ALA 124 4.323 9.002 -8.031 831 2HB ALA 124 2HB ALA 124 2.929 9.081 -9.109 832 3HB ALA 124 3HB ALA 124 2.830 8.164 -7.605 833 H LYS 125 H LYS 125 6.440 7.097 -8.777 834 HA LYS 125 HA LYS 125 6.437 5.493 -6.394 835 1HB LYS 125 1HB LYS 125 8.168 4.133 -8.240 836 1HG LYS 125 1HG LYS 125 6.616 3.121 -9.758 837 1HD LYS 125 1HD LYS 125 6.389 6.108 -9.889 838 1HE LYS 125 1HE LYS 125 4.627 5.332 -11.184 839 1HZ LYS 125 1HZ LYS 125 5.141 2.960 -11.145 840 2HZ LYS 125 2HZ LYS 125 6.404 3.202 -12.255 841 3HZ LYS 125 3HZ LYS 125 4.804 3.490 -12.724 842 H ARG 126 H ARG 126 8.203 6.096 -5.154 843 HA ARG 126 HA ARG 126 10.591 6.748 -6.522 844 1HB ARG 126 1HB ARG 126 10.894 8.976 -5.918 845 1HG ARG 126 1HG ARG 126 10.072 9.226 -3.721 846 1HD ARG 126 1HD ARG 126 8.535 7.393 -3.889 847 HE ARG 126 HE ARG 126 7.247 9.222 -5.751 848 1HH1 ARG 126 1HH1 ARG 126 7.107 6.141 -4.139 849 2HH1 ARG 126 2HH1 ARG 126 5.632 5.669 -4.915 850 1HH2 ARG 126 1HH2 ARG 126 5.279 8.687 -6.696 851 2HH2 ARG 126 2HH2 ARG 126 4.564 7.104 -6.343 852 H ILE 127 H ILE 127 11.813 5.441 -5.506 853 HA ILE 127 HA ILE 127 12.307 5.842 -2.700 854 HB ILE 127 HB ILE 127 11.676 3.088 -3.585 855 1HG1 ILE 127 1HG1 ILE 127 9.489 5.081 -2.665 856 1HG2 ILE 127 1HG2 ILE 127 11.485 4.473 -0.957 857 2HG2 ILE 127 2HG2 ILE 127 11.147 2.760 -1.263 858 3HG2 ILE 127 3HG2 ILE 127 12.771 3.405 -1.512 859 1HD1 ILE 127 1HD1 ILE 127 8.029 3.240 -2.716 860 2HD1 ILE 127 2HD1 ILE 127 9.241 2.162 -3.406 861 3HD1 ILE 127 3HD1 ILE 127 9.401 2.717 -1.740 862 H PHE 128 H PHE 128 14.390 5.329 -2.199 863 HA PHE 128 HA PHE 128 15.663 3.328 -3.880 864 1HB PHE 128 1HB PHE 128 16.988 5.894 -2.999 865 HD1 PHE 128 HD1 PHE 128 16.845 7.527 -4.692 866 HD2 PHE 128 HD2 PHE 128 16.346 3.411 -5.644 867 HE1 PHE 128 HE1 PHE 128 16.278 8.146 -7.011 868 HE2 PHE 128 HE2 PHE 128 15.813 4.013 -7.981 869 HZ PHE 128 HZ PHE 128 15.776 6.384 -8.664 870 H LYS 129 H LYS 129 15.512 1.865 -2.776 871 HA LYS 129 HA LYS 129 15.806 1.964 0.114 872 1HB LYS 129 1HB LYS 129 14.346 0.188 -1.754 873 1HG LYS 129 1HG LYS 129 13.591 2.206 0.218 874 1HD LYS 129 1HD LYS 129 12.031 -0.238 -0.416 875 1HE LYS 129 1HE LYS 129 10.513 1.563 -0.539 876 1HZ LYS 129 1HZ LYS 129 10.443 3.318 0.895 877 2HZ LYS 129 2HZ LYS 129 12.101 3.000 0.984 878 3HZ LYS 129 3HZ LYS 129 11.070 2.451 2.206 879 H LYS 130 H LYS 130 16.204 0.095 1.223 880 HA LYS 130 HA LYS 130 17.657 -1.326 2.116 881 1HB LYS 130 1HB LYS 130 16.333 -2.523 0.200 882 1HG LYS 130 1HG LYS 130 18.422 -3.532 2.014 883 1HD LYS 130 1HD LYS 130 17.469 -4.984 -0.401 884 1HE LYS 130 1HE LYS 130 16.432 -6.200 1.437 885 1HZ LYS 130 1HZ LYS 130 18.943 -5.699 2.721 886 2HZ LYS 130 2HZ LYS 130 18.491 -7.327 2.806 887 3HZ LYS 130 3HZ LYS 130 17.451 -6.129 3.395 888 H GLU 131 H GLU 131 19.683 -2.879 0.825 889 HA GLU 131 HA GLU 131 21.587 -1.381 -0.569 890 1HB GLU 131 1HB GLU 131 23.222 -0.939 1.252 891 1HG GLU 131 1HG GLU 131 20.899 -1.470 3.090 Start of MODEL 10 1 1H ALA 1 1H ALA 1 11.735 -10.383 10.011 2 2H ALA 1 2H ALA 1 10.430 -11.453 9.895 3 3H ALA 1 3H ALA 1 10.490 -10.084 8.903 4 HA ALA 1 HA ALA 1 12.408 -10.925 7.753 5 1HB ALA 1 1HB ALA 1 13.734 -12.305 8.889 6 2HB ALA 1 2HB ALA 1 12.453 -12.708 10.033 7 3HB ALA 1 3HB ALA 1 12.583 -13.586 8.509 8 H PHE 2 H PHE 2 11.749 -11.510 5.793 9 HA PHE 2 HA PHE 2 10.094 -13.761 5.279 10 1HB PHE 2 1HB PHE 2 8.294 -12.345 6.055 11 HD1 PHE 2 HD1 PHE 2 7.991 -14.649 4.593 12 HD2 PHE 2 HD2 PHE 2 7.522 -10.658 3.191 13 HE1 PHE 2 HE1 PHE 2 6.529 -15.459 2.785 14 HE2 PHE 2 HE2 PHE 2 6.059 -11.461 1.385 15 HZ PHE 2 HZ PHE 2 5.560 -13.861 1.178 16 H ASP 3 H ASP 3 11.055 -10.569 4.012 17 HA ASP 3 HA ASP 3 12.085 -11.914 1.620 18 1HB ASP 3 1HB ASP 3 9.781 -10.975 1.156 19 H GLY 4 H GLY 4 11.743 -8.835 3.362 20 1HA GLY 4 1HA GLY 4 14.443 -8.430 3.769 21 2HA GLY 4 2HA GLY 4 14.069 -7.698 2.207 22 H THR 5 H THR 5 14.759 -5.741 3.166 23 HA THR 5 HA THR 5 12.626 -4.128 3.972 24 HB THR 5 HB THR 5 13.209 -4.861 6.253 25 HG1 THR 5 HG1 THR 5 13.070 -2.449 5.296 26 1HG2 THR 5 1HG2 THR 5 15.922 -3.612 5.948 27 2HG2 THR 5 2HG2 THR 5 15.687 -5.311 5.534 28 3HG2 THR 5 3HG2 THR 5 15.348 -4.747 7.171 29 H TRP 6 H TRP 6 13.118 -2.112 3.297 30 HA TRP 6 HA TRP 6 15.764 -1.499 2.435 31 1HB TRP 6 1HB TRP 6 13.820 -1.244 0.308 32 HD1 TRP 6 HD1 TRP 6 15.461 -4.370 -0.436 33 HE1 TRP 6 HE1 TRP 6 13.840 -6.369 -0.278 34 HE3 TRP 6 HE3 TRP 6 11.673 -2.112 2.106 35 HZ2 TRP 6 HZ2 TRP 6 11.262 -6.876 0.723 36 HZ3 TRP 6 HZ3 TRP 6 9.648 -3.409 2.593 37 HH2 TRP 6 HH2 TRP 6 9.458 -5.736 1.926 38 H LYS 7 H LYS 7 15.601 1.070 2.087 39 HA LYS 7 HA LYS 7 12.974 2.035 2.701 40 1HB LYS 7 1HB LYS 7 14.108 2.830 5.011 41 1HG LYS 7 1HG LYS 7 14.926 0.865 6.149 42 1HD LYS 7 1HD LYS 7 16.476 1.569 3.646 43 1HE LYS 7 1HE LYS 7 17.210 -0.622 4.509 44 1HZ LYS 7 1HZ LYS 7 18.390 -0.505 6.742 45 2HZ LYS 7 2HZ LYS 7 16.703 -0.622 6.767 46 3HZ LYS 7 3HZ LYS 7 17.451 0.869 7.048 47 H VAL 8 H VAL 8 12.928 4.052 1.912 48 HA VAL 8 HA VAL 8 14.921 5.921 2.670 49 HB VAL 8 HB VAL 8 15.370 6.283 0.061 50 1HG1 VAL 8 1HG1 VAL 8 16.724 4.004 1.618 51 2HG1 VAL 8 2HG1 VAL 8 17.434 4.946 0.284 52 3HG1 VAL 8 3HG1 VAL 8 17.106 5.730 1.830 53 1HG2 VAL 8 1HG2 VAL 8 15.351 3.327 -0.026 54 2HG2 VAL 8 2HG2 VAL 8 13.767 4.114 -0.009 55 3HG2 VAL 8 3HG2 VAL 8 14.928 4.535 -1.276 56 H ASP 9 H ASP 9 12.766 5.188 0.090 57 HA ASP 9 HA ASP 9 11.661 7.821 0.465 58 1HB ASP 9 1HB ASP 9 13.059 6.648 -1.837 59 H ARG 10 H ARG 10 10.218 7.684 -1.910 60 HA ARG 10 HA ARG 10 8.347 5.515 -1.900 61 1HB ARG 10 1HB ARG 10 6.467 6.628 -0.946 62 1HG ARG 10 1HG ARG 10 8.120 9.042 -0.328 63 1HD ARG 10 1HD ARG 10 5.817 10.107 -0.540 64 HE ARG 10 HE ARG 10 6.903 8.764 1.671 65 1HH1 ARG 10 1HH1 ARG 10 3.806 9.904 0.544 66 2HH1 ARG 10 2HH1 ARG 10 3.176 10.152 2.138 67 1HH2 ARG 10 1HH2 ARG 10 6.079 9.087 3.770 68 2HH2 ARG 10 2HH2 ARG 10 4.467 9.689 3.970 69 H ASN 11 H ASN 11 6.286 6.615 -3.183 70 HA ASN 11 HA ASN 11 7.608 7.913 -5.416 71 1HB ASN 11 1HB ASN 11 5.934 6.919 -6.581 72 1HD2 ASN 11 1HD2 ASN 11 4.481 8.854 -3.992 73 2HD2 ASN 11 2HD2 ASN 11 3.100 9.365 -4.918 74 H GLU 12 H GLU 12 6.460 10.066 -6.074 75 HA GLU 12 HA GLU 12 6.075 11.351 -3.493 76 1HB GLU 12 1HB GLU 12 6.455 12.611 -6.216 77 1HG GLU 12 1HG GLU 12 8.349 13.759 -5.129 78 H ASN 13 H ASN 13 4.412 11.903 -2.878 79 HA ASN 13 HA ASN 13 1.951 11.844 -4.314 80 1HB ASN 13 1HB ASN 13 2.918 12.149 -1.452 81 1HD2 ASN 13 1HD2 ASN 13 0.627 10.622 -3.520 82 2HD2 ASN 13 2HD2 ASN 13 0.626 9.053 -2.799 83 H TYR 14 H TYR 14 4.380 13.313 -2.648 84 HA TYR 14 HA TYR 14 3.597 15.884 -2.464 85 1HB TYR 14 1HB TYR 14 5.534 15.199 -1.254 86 HD1 TYR 14 HD1 TYR 14 8.193 14.933 -3.316 87 HD2 TYR 14 HD2 TYR 14 5.413 17.894 -2.063 88 HE1 TYR 14 HE1 TYR 14 9.819 16.692 -3.873 89 HE2 TYR 14 HE2 TYR 14 7.014 19.657 -2.632 90 HH TYR 14 HH TYR 14 8.992 20.127 -3.556 91 H GLU 15 H GLU 15 3.964 13.937 -5.104 92 HA GLU 15 HA GLU 15 4.555 16.220 -6.819 93 1HB GLU 15 1HB GLU 15 5.505 14.843 -8.471 94 1HG GLU 15 1HG GLU 15 4.995 12.373 -6.857 95 H LYS 16 H LYS 16 2.839 13.322 -6.397 96 HA LYS 16 HA LYS 16 1.001 13.678 -8.504 97 1HB LYS 16 1HB LYS 16 -0.046 12.723 -5.884 98 1HG LYS 16 1HG LYS 16 1.998 11.038 -7.227 99 1HD LYS 16 1HD LYS 16 1.402 10.293 -4.678 100 1HE LYS 16 1HE LYS 16 0.835 9.237 -7.390 101 1HZ LYS 16 1HZ LYS 16 -0.726 8.599 -5.072 102 2HZ LYS 16 2HZ LYS 16 0.064 7.242 -5.705 103 3HZ LYS 16 3HZ LYS 16 -0.969 8.154 -6.685 104 H PHE 17 H PHE 17 0.692 14.179 -5.200 105 HA PHE 17 HA PHE 17 -1.653 15.758 -5.361 106 1HB PHE 17 1HB PHE 17 0.536 15.798 -3.277 107 HD1 PHE 17 HD1 PHE 17 -2.180 14.806 -1.545 108 HD2 PHE 17 HD2 PHE 17 0.323 13.224 -4.618 109 HE1 PHE 17 HE1 PHE 17 -2.893 12.507 -0.997 110 HE2 PHE 17 HE2 PHE 17 -0.436 11.036 -4.113 111 HZ PHE 17 HZ PHE 17 -1.959 10.599 -2.302 112 H MET 18 H MET 18 1.717 16.165 -5.579 113 HA MET 18 HA MET 18 1.580 18.958 -5.387 114 1HB MET 18 1HB MET 18 3.715 18.286 -5.105 115 1HG MET 18 1HG MET 18 3.441 18.534 -8.104 116 1HE MET 18 1HE MET 18 6.870 19.902 -6.280 117 2HE MET 18 2HE MET 18 5.834 18.957 -5.211 118 3HE MET 18 3HE MET 18 7.378 18.298 -5.752 119 H GLU 19 H GLU 19 1.009 16.642 -7.849 120 HA GLU 19 HA GLU 19 0.991 18.775 -9.805 121 1HB GLU 19 1HB GLU 19 0.682 15.816 -10.271 122 1HG GLU 19 1HG GLU 19 3.179 17.479 -10.205 123 H LYS 20 H LYS 20 -1.076 17.425 -7.628 124 HA LYS 20 HA LYS 20 -3.322 18.197 -9.304 125 1HB LYS 20 1HB LYS 20 -4.453 15.987 -9.132 126 1HG LYS 20 1HG LYS 20 -1.711 15.078 -8.208 127 1HD LYS 20 1HD LYS 20 -2.596 12.816 -8.378 128 1HE LYS 20 1HE LYS 20 -2.710 12.566 -10.799 129 1HZ LYS 20 1HZ LYS 20 -0.637 13.454 -11.312 130 2HZ LYS 20 2HZ LYS 20 -0.575 13.249 -9.635 131 3HZ LYS 20 3HZ LYS 20 -0.832 14.788 -10.289 132 H MET 21 H MET 21 -2.708 16.231 -6.409 133 HA MET 21 HA MET 21 -4.993 16.514 -5.047 134 1HB MET 21 1HB MET 21 -3.149 15.258 -4.179 135 1HG MET 21 1HG MET 21 -3.091 15.827 -1.902 136 1HE MET 21 1HE MET 21 -4.720 13.686 -2.116 137 2HE MET 21 2HE MET 21 -6.351 13.798 -2.779 138 3HE MET 21 3HE MET 21 -4.958 14.147 -3.802 139 H GLY 22 H GLY 22 -2.229 18.650 -4.491 140 1HA GLY 22 1HA GLY 22 -3.853 21.035 -4.506 141 2HA GLY 22 2HA GLY 22 -3.614 20.480 -2.855 142 H ILE 23 H ILE 23 -1.020 19.559 -2.999 143 HA ILE 23 HA ILE 23 1.147 20.185 -2.890 144 HB ILE 23 HB ILE 23 2.059 21.074 -4.733 145 1HG1 ILE 23 1HG1 ILE 23 -0.014 23.286 -4.759 146 1HG2 ILE 23 1HG2 ILE 23 -0.803 21.106 -5.693 147 2HG2 ILE 23 2HG2 ILE 23 0.636 20.989 -6.698 148 3HG2 ILE 23 3HG2 ILE 23 0.223 19.665 -5.599 149 1HD1 ILE 23 1HD1 ILE 23 1.097 24.328 -6.430 150 2HD1 ILE 23 2HD1 ILE 23 2.648 23.605 -6.003 151 3HD1 ILE 23 3HD1 ILE 23 1.445 22.658 -6.877 152 H ASN 24 H ASN 24 -1.247 22.702 -2.490 153 HA ASN 24 HA ASN 24 0.406 24.727 -1.496 154 1HB ASN 24 1HB ASN 24 -1.679 25.617 -0.441 155 1HD2 ASN 24 1HD2 ASN 24 -3.565 24.180 -2.738 156 2HD2 ASN 24 2HD2 ASN 24 -4.535 23.180 -1.718 157 H VAL 25 H VAL 25 -1.422 22.241 0.302 158 HA VAL 25 HA VAL 25 0.011 23.026 2.731 159 HB VAL 25 HB VAL 25 -2.463 22.720 2.800 160 1HG1 VAL 25 1HG1 VAL 25 -1.849 20.296 1.514 161 2HG1 VAL 25 2HG1 VAL 25 -2.516 19.890 3.096 162 3HG1 VAL 25 3HG1 VAL 25 -3.434 20.909 1.988 163 1HG2 VAL 25 1HG2 VAL 25 -1.593 20.665 4.675 164 2HG2 VAL 25 2HG2 VAL 25 -0.561 22.095 4.673 165 3HG2 VAL 25 3HG2 VAL 25 -2.290 22.256 4.980 166 H VAL 26 H VAL 26 -0.167 20.517 0.368 167 HA VAL 26 HA VAL 26 1.176 18.728 -0.039 168 HB VAL 26 HB VAL 26 2.774 19.484 2.410 169 1HG1 VAL 26 1HG1 VAL 26 3.440 17.353 1.642 170 2HG1 VAL 26 2HG1 VAL 26 3.399 17.856 -0.053 171 3HG1 VAL 26 3HG1 VAL 26 4.644 18.488 1.034 172 1HG2 VAL 26 1HG2 VAL 26 2.402 21.372 0.744 173 2HG2 VAL 26 2HG2 VAL 26 4.073 20.973 1.143 174 3HG2 VAL 26 3HG2 VAL 26 3.373 20.420 -0.379 175 H LYS 27 H LYS 27 -1.019 17.906 0.797 176 HA LYS 27 HA LYS 27 -1.353 16.790 3.337 177 1HB LYS 27 1HB LYS 27 -2.537 15.749 0.758 178 1HG LYS 27 1HG LYS 27 -4.577 17.076 1.614 179 1HD LYS 27 1HD LYS 27 -2.340 18.722 0.468 180 1HE LYS 27 1HE LYS 27 -4.479 19.849 0.880 181 1HZ LYS 27 1HZ LYS 27 -5.915 18.479 -1.192 182 2HZ LYS 27 2HZ LYS 27 -6.441 18.980 0.335 183 3HZ LYS 27 3HZ LYS 27 -5.635 17.503 0.162 184 H ARG 28 H ARG 28 -1.908 14.172 1.348 185 HA ARG 28 HA ARG 28 -0.171 12.461 2.699 186 1HB ARG 28 1HB ARG 28 -1.964 11.364 1.731 187 1HG ARG 28 1HG ARG 28 0.001 10.865 -0.504 188 1HD ARG 28 1HD ARG 28 -2.177 9.849 -0.793 189 HE ARG 28 HE ARG 28 -2.151 9.363 1.975 190 1HH1 ARG 28 1HH1 ARG 28 -3.053 7.830 -1.023 191 2HH1 ARG 28 2HH1 ARG 28 -4.299 6.865 -0.305 192 1HH2 ARG 28 1HH2 ARG 28 -3.796 8.096 2.929 193 2HH2 ARG 28 2HH2 ARG 28 -4.721 7.016 1.941 194 H LYS 29 H LYS 29 0.689 14.834 0.563 195 HA LYS 29 HA LYS 29 2.579 13.685 -1.109 196 1HB LYS 29 1HB LYS 29 2.718 16.365 0.196 197 1HG LYS 29 1HG LYS 29 1.974 15.620 -2.599 198 1HD LYS 29 1HD LYS 29 1.131 17.900 -2.705 199 1HE LYS 29 1HE LYS 29 4.019 17.740 -1.978 200 1HZ LYS 29 1HZ LYS 29 2.743 20.024 -2.084 201 2HZ LYS 29 2HZ LYS 29 2.944 19.802 -3.749 202 3HZ LYS 29 3HZ LYS 29 4.296 19.848 -2.733 203 H LEU 30 H LEU 30 4.654 15.609 0.285 204 HA LEU 30 HA LEU 30 6.593 15.226 1.452 205 1HB LEU 30 1HB LEU 30 5.020 13.022 2.823 206 HG LEU 30 HG LEU 30 3.919 15.135 3.338 207 1HD1 LEU 30 1HD1 LEU 30 5.167 15.011 5.884 208 2HD1 LEU 30 2HD1 LEU 30 3.624 14.324 5.377 209 3HD1 LEU 30 3HD1 LEU 30 5.104 13.379 5.219 210 1HD2 LEU 30 1HD2 LEU 30 5.463 16.821 2.935 211 2HD2 LEU 30 2HD2 LEU 30 5.341 16.808 4.694 212 3HD2 LEU 30 3HD2 LEU 30 6.717 16.041 3.900 213 H GLY 31 H GLY 31 5.111 13.809 -0.773 214 1HA GLY 31 1HA GLY 31 5.581 11.332 -1.364 215 2HA GLY 31 2HA GLY 31 5.797 12.599 -2.514 216 H ALA 32 H ALA 32 8.155 13.521 -0.716 217 HA ALA 32 HA ALA 32 10.092 11.396 -1.152 218 1HB ALA 32 1HB ALA 32 11.459 13.441 -2.344 219 2HB ALA 32 2HB ALA 32 10.642 12.127 -3.192 220 3HB ALA 32 3HB ALA 32 9.823 13.672 -2.962 221 H HIS 33 H HIS 33 12.399 12.934 -1.015 222 HA HIS 33 HA HIS 33 13.855 13.421 0.690 223 1HB HIS 33 1HB HIS 33 13.798 15.769 1.213 224 HD1 HIS 33 HD1 HIS 33 10.371 15.172 -0.345 225 HD2 HIS 33 HD2 HIS 33 12.329 17.773 2.227 226 HE1 HIS 33 HE1 HIS 33 8.625 16.825 0.391 227 HE2 HIS 33 HE2 HIS 33 9.850 18.429 1.899 228 H ALA 34 H ALA 34 12.923 11.650 2.116 229 HA ALA 34 HA ALA 34 12.678 12.692 4.737 230 1HB ALA 34 1HB ALA 34 10.497 12.745 5.157 231 2HB ALA 34 2HB ALA 34 10.273 12.681 3.409 232 3HB ALA 34 3HB ALA 34 10.221 11.197 4.359 233 H ASN 35 H ASN 35 13.320 11.213 6.219 234 HA ASN 35 HA ASN 35 14.273 8.673 5.441 235 1HB ASN 35 1HB ASN 35 13.624 9.735 8.206 236 1HD2 ASN 35 1HD2 ASN 35 16.616 8.494 8.094 237 2HD2 ASN 35 2HD2 ASN 35 17.528 9.920 7.749 238 H LEU 36 H LEU 36 13.361 6.574 5.683 239 HA LEU 36 HA LEU 36 10.901 6.138 6.987 240 1HB LEU 36 1HB LEU 36 9.608 5.643 4.905 241 HG LEU 36 HG LEU 36 12.012 6.907 3.607 242 1HD1 LEU 36 1HD1 LEU 36 10.981 5.114 1.879 243 2HD1 LEU 36 2HD1 LEU 36 12.214 4.764 3.102 244 3HD1 LEU 36 3HD1 LEU 36 10.512 4.400 3.424 245 1HD2 LEU 36 1HD2 LEU 36 9.710 6.780 1.834 246 2HD2 LEU 36 2HD2 LEU 36 9.398 7.856 3.194 247 3HD2 LEU 36 3HD2 LEU 36 10.799 8.124 2.159 248 H LYS 37 H LYS 37 10.573 3.867 7.274 249 HA LYS 37 HA LYS 37 12.610 2.436 5.752 250 1HB LYS 37 1HB LYS 37 12.761 0.793 7.521 251 1HG LYS 37 1HG LYS 37 10.526 2.357 8.754 252 1HD LYS 37 1HD LYS 37 12.378 2.230 10.342 253 1HE LYS 37 1HE LYS 37 12.127 -0.760 9.977 254 1HZ LYS 37 1HZ LYS 37 13.235 -1.032 11.872 255 2HZ LYS 37 2HZ LYS 37 12.793 0.556 12.256 256 3HZ LYS 37 3HZ LYS 37 14.301 0.244 11.557 257 H LEU 38 H LEU 38 12.109 0.320 4.767 258 HA LEU 38 HA LEU 38 9.203 -0.160 4.705 259 1HB LEU 38 1HB LEU 38 10.649 0.781 2.614 260 HG LEU 38 HG LEU 38 9.046 -0.262 1.019 261 1HD1 LEU 38 1HD1 LEU 38 8.426 -1.884 3.406 262 2HD1 LEU 38 2HD1 LEU 38 7.058 -1.350 2.428 263 3HD1 LEU 38 3HD1 LEU 38 8.351 -2.299 1.693 264 1HD2 LEU 38 1HD2 LEU 38 7.915 1.044 3.484 265 2HD2 LEU 38 2HD2 LEU 38 8.526 1.849 2.039 266 3HD2 LEU 38 3HD2 LEU 38 7.060 0.872 1.951 267 H THR 39 H THR 39 8.707 -2.116 5.365 268 HA THR 39 HA THR 39 10.641 -4.323 5.041 269 HB THR 39 HB THR 39 9.153 -3.639 7.599 270 HG1 THR 39 HG1 THR 39 10.955 -2.656 8.207 271 1HG2 THR 39 1HG2 THR 39 9.493 -5.863 7.982 272 2HG2 THR 39 2HG2 THR 39 11.183 -5.420 8.220 273 3HG2 THR 39 3HG2 THR 39 10.640 -6.017 6.652 274 H ILE 40 H ILE 40 9.219 -6.572 5.574 275 HA ILE 40 HA ILE 40 6.378 -6.194 5.332 276 HB ILE 40 HB ILE 40 6.065 -7.193 3.210 277 1HG1 ILE 40 1HG1 ILE 40 7.734 -8.846 3.235 278 1HG2 ILE 40 1HG2 ILE 40 8.213 -5.140 2.834 279 2HG2 ILE 40 2HG2 ILE 40 7.066 -5.671 1.603 280 3HG2 ILE 40 3HG2 ILE 40 6.489 -4.828 3.039 281 1HD1 ILE 40 1HD1 ILE 40 9.606 -6.713 3.582 282 2HD1 ILE 40 2HD1 ILE 40 9.836 -8.456 3.751 283 3HD1 ILE 40 3HD1 ILE 40 10.035 -7.691 2.175 284 H THR 41 H THR 41 5.625 -7.981 6.544 285 HA THR 41 HA THR 41 6.573 -10.588 5.945 286 HB THR 41 HB THR 41 8.595 -9.796 6.870 287 HG1 THR 41 HG1 THR 41 7.154 -11.775 8.254 288 1HG2 THR 41 1HG2 THR 41 6.921 -8.906 9.146 289 2HG2 THR 41 2HG2 THR 41 8.245 -8.091 8.292 290 3HG2 THR 41 3HG2 THR 41 8.593 -9.390 9.447 291 H GLN 42 H GLN 42 5.003 -12.042 6.440 292 HA GLN 42 HA GLN 42 3.874 -12.186 9.033 293 1HB GLN 42 1HB GLN 42 2.453 -10.369 8.402 294 1HG GLN 42 1HG GLN 42 0.213 -11.518 8.235 295 1HE2 GLN 42 1HE2 GLN 42 1.218 -14.053 10.004 296 2HE2 GLN 42 2HE2 GLN 42 1.294 -13.329 11.571 297 H GLU 43 H GLU 43 2.265 -12.842 5.953 298 HA GLU 43 HA GLU 43 2.458 -15.664 6.593 299 1HB GLU 43 1HB GLU 43 0.324 -14.413 4.869 300 1HG GLU 43 1HG GLU 43 0.174 -15.058 7.801 301 H GLY 44 H GLY 44 2.319 -17.063 4.273 302 1HA GLY 44 1HA GLY 44 4.195 -15.423 2.732 303 2HA GLY 44 2HA GLY 44 4.039 -17.174 2.567 304 H ASN 45 H ASN 45 2.566 -14.232 2.212 305 HA ASN 45 HA ASN 45 2.051 -13.982 -0.416 306 1HB ASN 45 1HB ASN 45 -0.533 -14.010 -0.316 307 1HD2 ASN 45 1HD2 ASN 45 0.835 -14.755 2.626 308 2HD2 ASN 45 2HD2 ASN 45 -0.525 -15.503 3.370 309 H LYS 46 H LYS 46 3.049 -12.114 0.548 310 HA LYS 46 HA LYS 46 1.217 -10.156 1.599 311 1HB LYS 46 1HB LYS 46 2.248 -12.136 3.340 312 1HG LYS 46 1HG LYS 46 1.508 -10.433 5.178 313 1HD LYS 46 1HD LYS 46 -0.681 -11.396 3.390 314 1HE LYS 46 1HE LYS 46 -0.262 -11.494 6.372 315 1HZ LYS 46 1HZ LYS 46 -1.980 -12.955 4.897 316 2HZ LYS 46 2HZ LYS 46 -2.930 -11.615 5.303 317 3HZ LYS 46 3HZ LYS 46 -2.209 -12.540 6.522 318 H PHE 47 H PHE 47 2.386 -8.103 2.135 319 HA PHE 47 HA PHE 47 5.230 -8.027 2.091 320 1HB PHE 47 1HB PHE 47 3.779 -7.237 -0.402 321 HD1 PHE 47 HD1 PHE 47 4.275 -9.474 -1.182 322 HD2 PHE 47 HD2 PHE 47 7.352 -6.827 0.066 323 HE1 PHE 47 HE1 PHE 47 5.941 -10.907 -2.264 324 HE2 PHE 47 HE2 PHE 47 9.031 -8.255 -1.019 325 HZ PHE 47 HZ PHE 47 8.323 -10.299 -2.189 326 H THR 48 H THR 48 4.934 -7.016 4.044 327 HA THR 48 HA THR 48 4.597 -4.271 3.998 328 HB THR 48 HB THR 48 2.146 -5.674 4.130 329 HG1 THR 48 HG1 THR 48 2.679 -2.867 4.089 330 1HG2 THR 48 1HG2 THR 48 2.886 -5.075 6.613 331 2HG2 THR 48 2HG2 THR 48 1.216 -4.849 6.065 332 3HG2 THR 48 3HG2 THR 48 2.314 -3.470 6.134 333 H VAL 49 H VAL 49 5.794 -3.543 5.542 334 HA VAL 49 HA VAL 49 5.359 -3.974 8.242 335 HB VAL 49 HB VAL 49 7.862 -5.277 7.152 336 1HG1 VAL 49 1HG1 VAL 49 7.130 -4.294 9.894 337 2HG1 VAL 49 2HG1 VAL 49 8.216 -5.673 9.711 338 3HG1 VAL 49 3HG1 VAL 49 8.641 -4.116 9.000 339 1HG2 VAL 49 1HG2 VAL 49 6.473 -6.781 9.171 340 2HG2 VAL 49 2HG2 VAL 49 5.400 -6.416 7.821 341 3HG2 VAL 49 3HG2 VAL 49 6.938 -7.250 7.526 342 H LYS 50 H LYS 50 5.913 -1.731 8.840 343 HA LYS 50 HA LYS 50 8.530 -0.925 8.088 344 1HB LYS 50 1HB LYS 50 7.289 1.037 6.637 345 1HG LYS 50 1HG LYS 50 5.934 -1.563 6.046 346 1HD LYS 50 1HD LYS 50 5.990 0.965 4.419 347 1HE LYS 50 1HE LYS 50 4.599 -1.671 3.950 348 1HZ LYS 50 1HZ LYS 50 5.555 -0.128 2.029 349 2HZ LYS 50 2HZ LYS 50 4.079 0.657 2.284 350 3HZ LYS 50 3HZ LYS 50 4.104 -0.984 1.875 351 H GLU 51 H GLU 51 8.964 0.186 10.015 352 HA GLU 51 HA GLU 51 6.946 2.226 10.724 353 1HB GLU 51 1HB GLU 51 8.879 1.062 12.702 354 1HG GLU 51 1HG GLU 51 6.179 -0.135 12.092 355 H SER 52 H SER 52 8.202 3.786 9.317 356 HA SER 52 HA SER 52 9.692 5.441 10.930 357 1HB SER 52 1HB SER 52 11.839 4.916 10.644 358 HG SER 52 HG SER 52 12.224 4.131 8.192 359 H SER 53 H SER 53 9.463 7.378 10.335 360 HA SER 53 HA SER 53 9.773 8.345 7.739 361 1HB SER 53 1HB SER 53 6.921 8.368 8.705 362 HG SER 53 HG SER 53 8.064 7.270 6.357 363 H ASN 54 H ASN 54 11.000 9.984 8.367 364 HA ASN 54 HA ASN 54 11.541 12.035 9.220 365 1HB ASN 54 1HB ASN 54 8.819 11.957 10.544 366 1HD2 ASN 54 1HD2 ASN 54 9.364 14.835 9.167 367 2HD2 ASN 54 2HD2 ASN 54 8.630 14.585 7.624 368 H PHE 55 H PHE 55 10.118 9.614 11.370 369 HA PHE 55 HA PHE 55 12.443 9.563 12.995 370 1HB PHE 55 1HB PHE 55 11.264 10.234 15.143 371 HD1 PHE 55 HD1 PHE 55 10.028 12.968 13.190 372 HD2 PHE 55 HD2 PHE 55 8.883 9.408 15.223 373 HE1 PHE 55 HE1 PHE 55 7.697 13.750 13.238 374 HE2 PHE 55 HE2 PHE 55 6.548 10.183 15.269 375 HZ PHE 55 HZ PHE 55 5.952 12.357 14.277 376 H ARG 56 H ARG 56 8.989 8.856 12.882 377 HA ARG 56 HA ARG 56 9.468 6.030 13.229 378 1HB ARG 56 1HB ARG 56 7.761 7.526 15.240 379 1HG ARG 56 1HG ARG 56 10.346 6.041 15.647 380 1HD ARG 56 1HD ARG 56 10.045 6.641 18.023 381 HE ARG 56 HE ARG 56 7.730 5.056 17.784 382 1HH1 ARG 56 1HH1 ARG 56 11.115 5.053 16.945 383 2HH1 ARG 56 2HH1 ARG 56 11.241 3.325 16.934 384 1HH2 ARG 56 1HH2 ARG 56 7.892 2.780 17.768 385 2HH2 ARG 56 2HH2 ARG 56 9.411 2.035 17.400 386 H ASN 57 H ASN 57 7.936 4.912 12.019 387 HA ASN 57 HA ASN 57 5.293 5.876 11.702 388 1HB ASN 57 1HB ASN 57 7.379 6.716 9.812 389 1HD2 ASN 57 1HD2 ASN 57 7.135 8.753 10.509 390 2HD2 ASN 57 2HD2 ASN 57 5.663 9.663 10.473 391 H ILE 58 H ILE 58 4.624 3.970 12.081 392 HA ILE 58 HA ILE 58 5.709 1.676 10.827 393 HB ILE 58 HB ILE 58 5.495 1.361 13.065 394 1HG1 ILE 58 1HG1 ILE 58 3.020 0.228 11.702 395 1HG2 ILE 58 1HG2 ILE 58 4.017 3.462 13.227 396 2HG2 ILE 58 2HG2 ILE 58 2.658 2.326 13.157 397 3HG2 ILE 58 3HG2 ILE 58 3.840 2.206 14.464 398 1HD1 ILE 58 1HD1 ILE 58 2.934 0.191 14.270 399 2HD1 ILE 58 2HD1 ILE 58 2.730 -1.336 13.410 400 3HD1 ILE 58 3HD1 ILE 58 4.279 -0.944 14.155 401 H ASP 59 H ASP 59 4.703 0.329 9.741 402 HA ASP 59 HA ASP 59 1.986 0.798 9.024 403 1HB ASP 59 1HB ASP 59 3.603 2.310 7.752 404 H VAL 60 H VAL 60 1.609 -1.250 9.696 405 HA VAL 60 HA VAL 60 2.659 -3.430 8.044 406 HB VAL 60 HB VAL 60 2.733 -4.888 10.052 407 1HG1 VAL 60 1HG1 VAL 60 4.629 -3.207 11.143 408 2HG1 VAL 60 2HG1 VAL 60 4.885 -4.356 9.830 409 3HG1 VAL 60 3HG1 VAL 60 4.512 -2.671 9.466 410 1HG2 VAL 60 1HG2 VAL 60 2.046 -4.252 12.084 411 2HG2 VAL 60 2HG2 VAL 60 2.885 -2.705 11.974 412 3HG2 VAL 60 3HG2 VAL 60 1.277 -2.888 11.272 413 H VAL 61 H VAL 61 0.794 -3.678 6.886 414 HA VAL 61 HA VAL 61 -1.212 -5.328 7.995 415 HB VAL 61 HB VAL 61 -2.185 -2.653 6.949 416 1HG1 VAL 61 1HG1 VAL 61 -3.906 -4.732 8.235 417 2HG1 VAL 61 2HG1 VAL 61 -4.352 -3.439 7.122 418 3HG1 VAL 61 3HG1 VAL 61 -3.486 -4.855 6.526 419 1HG2 VAL 61 1HG2 VAL 61 -2.083 -3.739 9.751 420 2HG2 VAL 61 2HG2 VAL 61 -1.483 -2.194 9.147 421 3HG2 VAL 61 3HG2 VAL 61 -3.219 -2.478 9.270 422 H PHE 62 H PHE 62 -0.803 -6.779 6.391 423 HA PHE 62 HA PHE 62 -1.500 -6.020 3.681 424 1HB PHE 62 1HB PHE 62 0.302 -7.733 3.017 425 HD1 PHE 62 HD1 PHE 62 0.350 -6.995 6.602 426 HD2 PHE 62 HD2 PHE 62 2.639 -8.159 3.264 427 HE1 PHE 62 HE1 PHE 62 2.158 -7.744 8.070 428 HE2 PHE 62 HE2 PHE 62 4.409 -8.945 4.703 429 HZ PHE 62 HZ PHE 62 4.183 -8.724 7.112 430 H GLU 63 H GLU 63 -1.771 -7.787 2.266 431 HA GLU 63 HA GLU 63 -2.638 -10.352 3.235 432 1HB GLU 63 1HB GLU 63 -4.543 -8.671 3.662 433 1HG GLU 63 1HG GLU 63 -6.291 -10.097 2.826 434 H LEU 64 H LEU 64 -2.903 -11.750 1.598 435 HA LEU 64 HA LEU 64 -1.370 -11.459 -0.680 436 1HB LEU 64 1HB LEU 64 -2.274 -13.581 0.108 437 HG LEU 64 HG LEU 64 -1.825 -13.242 -2.428 438 1HD1 LEU 64 1HD1 LEU 64 -3.414 -15.490 -1.212 439 2HD1 LEU 64 2HD1 LEU 64 -2.787 -15.553 -2.860 440 3HD1 LEU 64 3HD1 LEU 64 -1.675 -15.406 -1.499 441 1HD2 LEU 64 1HD2 LEU 64 -3.553 -12.621 -3.683 442 2HD2 LEU 64 2HD2 LEU 64 -4.401 -14.096 -3.221 443 3HD2 LEU 64 3HD2 LEU 64 -4.611 -12.625 -2.272 444 H GLY 65 H GLY 65 -4.207 -10.138 0.355 445 1HA GLY 65 1HA GLY 65 -4.413 -8.264 -1.731 446 2HA GLY 65 2HA GLY 65 -5.749 -9.401 -1.860 447 H VAL 66 H VAL 66 -4.416 -6.769 -0.146 448 HA VAL 66 HA VAL 66 -6.223 -7.124 2.043 449 HB VAL 66 HB VAL 66 -3.657 -6.308 2.093 450 1HG1 VAL 66 1HG1 VAL 66 -3.592 -3.961 2.745 451 2HG1 VAL 66 2HG1 VAL 66 -4.215 -4.132 1.104 452 3HG1 VAL 66 3HG1 VAL 66 -5.323 -3.813 2.437 453 1HG2 VAL 66 1HG2 VAL 66 -5.562 -5.387 4.218 454 2HG2 VAL 66 2HG2 VAL 66 -5.281 -7.104 3.929 455 3HG2 VAL 66 3HG2 VAL 66 -3.940 -6.055 4.391 456 H ASP 67 H ASP 67 -6.848 -4.981 3.104 457 HA ASP 67 HA ASP 67 -8.161 -3.151 1.261 458 1HB ASP 67 1HB ASP 67 -9.824 -4.916 1.760 459 H PHE 68 H PHE 68 -8.202 -1.079 2.089 460 HA PHE 68 HA PHE 68 -7.302 -0.644 4.864 461 1HB PHE 68 1HB PHE 68 -6.277 0.424 2.260 462 HD1 PHE 68 HD1 PHE 68 -5.790 -1.749 4.919 463 HD2 PHE 68 HD2 PHE 68 -3.750 1.198 2.625 464 HE1 PHE 68 HE1 PHE 68 -3.643 -2.792 5.490 465 HE2 PHE 68 HE2 PHE 68 -1.600 0.155 3.196 466 HZ PHE 68 HZ PHE 68 -1.542 -1.840 4.631 467 H ALA 69 H ALA 69 -7.723 1.594 5.603 468 HA ALA 69 HA ALA 69 -9.207 3.328 4.075 469 1HB ALA 69 1HB ALA 69 -10.883 1.461 5.669 470 2HB ALA 69 2HB ALA 69 -11.415 3.134 5.481 471 3HB ALA 69 3HB ALA 69 -11.129 2.135 4.050 472 H TYR 70 H TYR 70 -7.994 4.859 4.859 473 HA TYR 70 HA TYR 70 -8.803 6.336 7.041 474 1HB TYR 70 1HB TYR 70 -6.720 6.261 8.324 475 HD1 TYR 70 HD1 TYR 70 -4.692 6.396 6.824 476 HD2 TYR 70 HD2 TYR 70 -6.562 2.742 7.939 477 HE1 TYR 70 HE1 TYR 70 -2.621 5.180 6.293 478 HE2 TYR 70 HE2 TYR 70 -4.498 1.515 7.405 479 HH TYR 70 HH TYR 70 -1.655 3.184 6.095 480 H SER 71 H SER 71 -7.600 8.416 7.125 481 HA SER 71 HA SER 71 -6.517 8.792 4.474 482 1HB SER 71 1HB SER 71 -8.366 10.207 4.930 483 HG SER 71 HG SER 71 -7.291 11.585 3.829 484 H LEU 72 H LEU 72 -4.495 8.359 4.470 485 HA LEU 72 HA LEU 72 -2.577 8.474 6.397 486 1HB LEU 72 1HB LEU 72 -2.420 8.930 3.445 487 HG LEU 72 HG LEU 72 -2.682 6.602 4.311 488 1HD1 LEU 72 1HD1 LEU 72 -1.227 5.684 2.772 489 2HD1 LEU 72 2HD1 LEU 72 -1.372 7.346 2.197 490 3HD1 LEU 72 3HD1 LEU 72 0.047 6.851 3.121 491 1HD2 LEU 72 1HD2 LEU 72 0.124 6.574 5.233 492 2HD2 LEU 72 2HD2 LEU 72 -1.049 7.329 6.311 493 3HD2 LEU 72 3HD2 LEU 72 -1.268 5.655 5.803 494 H ALA 73 H ALA 73 -3.703 11.181 4.418 495 HA ALA 73 HA ALA 73 -1.806 13.038 5.535 496 1HB ALA 73 1HB ALA 73 -3.432 14.683 4.300 497 2HB ALA 73 2HB ALA 73 -2.332 13.646 3.393 498 3HB ALA 73 3HB ALA 73 -4.027 13.195 3.563 499 H ASP 74 H ASP 74 -5.380 12.863 5.638 500 HA ASP 74 HA ASP 74 -5.549 13.389 8.409 501 1HB ASP 74 1HB ASP 74 -6.532 15.676 8.288 502 H GLY 75 H GLY 75 -7.600 13.032 9.184 503 1HA GLY 75 1HA GLY 75 -9.905 12.679 9.115 504 2HA GLY 75 2HA GLY 75 -9.891 13.118 7.407 505 H THR 76 H THR 76 -10.452 11.488 6.105 506 HA THR 76 HA THR 76 -9.256 8.872 6.494 507 HB THR 76 HB THR 76 -12.279 9.066 6.338 508 HG1 THR 76 HG1 THR 76 -10.930 8.176 8.644 509 1HG2 THR 76 1HG2 THR 76 -10.652 6.991 5.667 510 2HG2 THR 76 2HG2 THR 76 -12.309 6.813 6.247 511 3HG2 THR 76 3HG2 THR 76 -10.959 6.649 7.371 512 H GLU 77 H GLU 77 -8.584 8.204 4.683 513 HA GLU 77 HA GLU 77 -10.104 8.167 2.272 514 1HB GLU 77 1HB GLU 77 -8.985 9.752 0.972 515 1HG GLU 77 1HG GLU 77 -7.021 10.115 3.199 516 H LEU 78 H LEU 78 -9.680 6.061 2.260 517 HA LEU 78 HA LEU 78 -7.354 5.250 1.043 518 1HB LEU 78 1HB LEU 78 -6.388 5.659 3.248 519 HG LEU 78 HG LEU 78 -6.438 2.739 2.682 520 1HD1 LEU 78 1HD1 LEU 78 -4.766 4.970 1.552 521 2HD1 LEU 78 2HD1 LEU 78 -4.231 3.290 1.520 522 3HD1 LEU 78 3HD1 LEU 78 -5.707 3.761 0.678 523 1HD2 LEU 78 1HD2 LEU 78 -3.957 3.497 3.666 524 2HD2 LEU 78 2HD2 LEU 78 -5.133 4.339 4.675 525 3HD2 LEU 78 3HD2 LEU 78 -5.207 2.585 4.512 526 H THR 79 H THR 79 -7.053 2.962 1.121 527 HA THR 79 HA THR 79 -9.068 1.067 1.513 528 HB THR 79 HB THR 79 -9.126 0.587 -1.029 529 HG1 THR 79 HG1 THR 79 -7.617 2.675 -0.917 530 1HG2 THR 79 1HG2 THR 79 -10.828 1.814 0.731 531 2HG2 THR 79 2HG2 THR 79 -11.235 1.414 -0.943 532 3HG2 THR 79 3HG2 THR 79 -10.655 3.035 -0.530 533 H GLY 80 H GLY 80 -8.162 -0.998 0.293 534 1HA GLY 80 1HA GLY 80 -5.391 -0.648 -0.193 535 2HA GLY 80 2HA GLY 80 -5.700 -1.457 1.258 536 H THR 81 H THR 81 -4.221 -2.505 -0.654 537 HA THR 81 HA THR 81 -5.143 -5.059 -0.764 538 HB THR 81 HB THR 81 -4.836 -4.165 -3.556 539 HG1 THR 81 HG1 THR 81 -7.139 -4.182 -3.707 540 1HG2 THR 81 1HG2 THR 81 -5.567 -6.592 -2.083 541 2HG2 THR 81 2HG2 THR 81 -4.734 -6.403 -3.626 542 3HG2 THR 81 3HG2 THR 81 -6.493 -6.295 -3.553 543 H TRP 82 H TRP 82 -3.590 -6.336 -1.335 544 HA TRP 82 HA TRP 82 -1.193 -5.338 -2.515 545 1HB TRP 82 1HB TRP 82 -1.279 -6.552 0.265 546 HD1 TRP 82 HD1 TRP 82 -2.649 -4.351 0.990 547 HE1 TRP 82 HE1 TRP 82 -2.028 -1.880 1.125 548 HE3 TRP 82 HE3 TRP 82 1.761 -4.648 -1.422 549 HZ2 TRP 82 HZ2 TRP 82 0.201 -0.221 0.287 550 HZ3 TRP 82 HZ3 TRP 82 3.101 -2.641 -1.727 551 HH2 TRP 82 HH2 TRP 82 2.338 -0.478 -0.955 552 H THR 83 H THR 83 -1.261 -6.772 -4.242 553 HA THR 83 HA THR 83 -1.501 -9.590 -3.517 554 HB THR 83 HB THR 83 -2.516 -8.545 -6.130 555 HG1 THR 83 HG1 THR 83 -3.780 -7.365 -4.775 556 1HG2 THR 83 1HG2 THR 83 -2.263 -11.087 -5.084 557 2HG2 THR 83 2HG2 THR 83 -3.282 -10.621 -6.446 558 3HG2 THR 83 3HG2 THR 83 -3.963 -10.699 -4.820 559 H MET 84 H MET 84 0.503 -10.277 -3.668 560 HA MET 84 HA MET 84 1.609 -10.538 -6.287 561 1HB MET 84 1HB MET 84 3.834 -9.555 -5.273 562 1HG MET 84 1HG MET 84 3.633 -7.765 -3.961 563 1HE MET 84 1HE MET 84 2.250 -7.966 -0.497 564 2HE MET 84 2HE MET 84 2.177 -6.894 -1.895 565 3HE MET 84 3HE MET 84 0.756 -7.826 -1.422 566 H GLU 85 H GLU 85 3.744 -11.521 -6.201 567 HA GLU 85 HA GLU 85 3.739 -13.768 -4.349 568 1HB GLU 85 1HB GLU 85 5.133 -13.228 -6.980 569 1HG GLU 85 1HG GLU 85 3.130 -15.344 -6.219 570 H GLY 86 H GLY 86 6.278 -14.399 -3.842 571 1HA GLY 86 1HA GLY 86 7.180 -11.947 -2.572 572 2HA GLY 86 2HA GLY 86 7.820 -13.559 -2.277 573 H ASN 87 H ASN 87 8.042 -10.683 -3.912 574 HA ASN 87 HA ASN 87 10.573 -10.395 -4.556 575 1HB ASN 87 1HB ASN 87 10.536 -12.583 -5.768 576 1HD2 ASN 87 1HD2 ASN 87 10.173 -11.291 -8.728 577 2HD2 ASN 87 2HD2 ASN 87 11.759 -10.654 -8.979 578 H LYS 88 H LYS 88 7.373 -9.668 -4.833 579 HA LYS 88 HA LYS 88 7.912 -7.154 -6.105 580 1HB LYS 88 1HB LYS 88 6.880 -7.363 -8.108 581 1HG LYS 88 1HG LYS 88 4.683 -8.075 -7.323 582 1HD LYS 88 1HD LYS 88 5.042 -9.820 -5.846 583 1HE LYS 88 1HE LYS 88 7.198 -10.646 -6.691 584 1HZ LYS 88 1HZ LYS 88 7.470 -11.789 -8.639 585 2HZ LYS 88 2HZ LYS 88 6.305 -10.656 -9.111 586 3HZ LYS 88 3HZ LYS 88 5.843 -12.242 -8.750 587 H LEU 89 H LEU 89 5.996 -5.870 -6.384 588 HA LEU 89 HA LEU 89 3.878 -6.285 -4.363 589 1HB LEU 89 1HB LEU 89 5.362 -3.830 -5.296 590 HG LEU 89 HG LEU 89 6.121 -4.432 -3.209 591 1HD1 LEU 89 1HD1 LEU 89 4.633 -2.553 -1.843 592 2HD1 LEU 89 2HD1 LEU 89 6.066 -2.255 -2.837 593 3HD1 LEU 89 3HD1 LEU 89 4.452 -2.099 -3.538 594 1HD2 LEU 89 1HD2 LEU 89 4.778 -5.031 -1.320 595 2HD2 LEU 89 2HD2 LEU 89 3.294 -4.587 -2.161 596 3HD2 LEU 89 3HD2 LEU 89 4.215 -5.999 -2.686 597 H VAL 90 H VAL 90 1.765 -6.174 -4.994 598 HA VAL 90 HA VAL 90 0.953 -4.371 -6.944 599 HB VAL 90 HB VAL 90 1.692 -5.618 -8.731 600 1HG1 VAL 90 1HG1 VAL 90 1.507 -7.831 -6.964 601 2HG1 VAL 90 2HG1 VAL 90 0.659 -8.230 -8.457 602 3HG1 VAL 90 3HG1 VAL 90 2.346 -7.717 -8.513 603 1HG2 VAL 90 1HG2 VAL 90 -0.241 -6.286 -9.910 604 2HG2 VAL 90 2HG2 VAL 90 -1.085 -6.718 -8.422 605 3HG2 VAL 90 3HG2 VAL 90 -0.749 -5.024 -8.785 606 H GLY 91 H GLY 91 -0.498 -3.761 -5.624 607 1HA GLY 91 1HA GLY 91 -2.941 -5.272 -5.293 608 2HA GLY 91 2HA GLY 91 -1.991 -5.051 -3.826 609 H LYS 92 H LYS 92 -4.677 -3.898 -4.975 610 HA LYS 92 HA LYS 92 -3.882 -1.245 -4.228 611 1HB LYS 92 1HB LYS 92 -3.363 -1.054 -6.316 612 1HG LYS 92 1HG LYS 92 -6.277 -0.462 -6.277 613 1HD LYS 92 1HD LYS 92 -6.230 -1.308 -8.467 614 1HE LYS 92 1HE LYS 92 -4.645 -0.611 -10.182 615 1HZ LYS 92 1HZ LYS 92 -4.279 -2.619 -8.566 616 2HZ LYS 92 2HZ LYS 92 -2.913 -1.724 -8.136 617 3HZ LYS 92 3HZ LYS 92 -3.137 -2.198 -9.740 618 H PHE 93 H PHE 93 -5.379 0.355 -4.152 619 HA PHE 93 HA PHE 93 -8.118 -0.506 -3.506 620 1HB PHE 93 1HB PHE 93 -7.637 0.944 -1.556 621 HD1 PHE 93 HD1 PHE 93 -6.344 2.931 -1.685 622 HD2 PHE 93 HD2 PHE 93 -4.513 -0.880 -2.067 623 HE1 PHE 93 HE1 PHE 93 -4.131 3.969 -1.361 624 HE2 PHE 93 HE2 PHE 93 -2.300 0.138 -1.733 625 HZ PHE 93 HZ PHE 93 -2.106 2.567 -1.378 626 H LYS 94 H LYS 94 -9.659 1.031 -3.405 627 HA LYS 94 HA LYS 94 -8.877 3.615 -4.392 628 1HB LYS 94 1HB LYS 94 -10.853 3.881 -5.480 629 1HG LYS 94 1HG LYS 94 -12.392 3.333 -3.847 630 1HD LYS 94 1HD LYS 94 -11.916 0.396 -4.342 631 1HE LYS 94 1HE LYS 94 -13.358 1.995 -2.250 632 1HZ LYS 94 1HZ LYS 94 -13.774 -0.334 -1.301 633 2HZ LYS 94 2HZ LYS 94 -12.308 0.423 -0.923 634 3HZ LYS 94 3HZ LYS 94 -12.359 -0.780 -2.112 635 H ARG 95 H ARG 95 -8.470 4.744 -2.753 636 HA ARG 95 HA ARG 95 -8.758 4.962 -0.285 637 1HB ARG 95 1HB ARG 95 -8.706 7.239 -0.322 638 1HG ARG 95 1HG ARG 95 -10.207 7.484 -2.882 639 1HD ARG 95 1HD ARG 95 -10.560 9.713 -2.075 640 HE ARG 95 HE ARG 95 -8.482 9.984 -3.002 641 1HH1 ARG 95 1HH1 ARG 95 -8.125 8.430 0.111 642 2HH1 ARG 95 2HH1 ARG 95 -6.393 8.558 0.104 643 1HH2 ARG 95 1HH2 ARG 95 -6.218 10.148 -3.002 644 2HH2 ARG 95 2HH2 ARG 95 -5.314 9.532 -1.658 645 H VAL 96 H VAL 96 -9.975 6.842 0.885 646 HA VAL 96 HA VAL 96 -12.774 5.944 1.195 647 HB VAL 96 HB VAL 96 -11.125 7.493 3.216 648 1HG1 VAL 96 1HG1 VAL 96 -13.601 6.028 3.955 649 2HG1 VAL 96 2HG1 VAL 96 -12.931 7.529 4.595 650 3HG1 VAL 96 3HG1 VAL 96 -13.778 7.531 3.049 651 1HG2 VAL 96 1HG2 VAL 96 -11.531 4.576 2.831 652 2HG2 VAL 96 2HG2 VAL 96 -10.135 5.466 3.450 653 3HG2 VAL 96 3HG2 VAL 96 -11.543 5.199 4.482 654 H ASP 97 H ASP 97 -10.711 8.827 0.782 655 HA ASP 97 HA ASP 97 -12.579 10.804 1.397 656 1HB ASP 97 1HB ASP 97 -10.163 11.099 0.430 657 H ASN 98 H ASN 98 -12.233 8.681 -1.290 658 HA ASN 98 HA ASN 98 -15.022 8.857 -1.888 659 1HB ASN 98 1HB ASN 98 -14.143 10.794 -3.203 660 1HD2 ASN 98 1HD2 ASN 98 -15.870 8.053 -3.421 661 2HD2 ASN 98 2HD2 ASN 98 -16.680 8.323 -4.922 662 H GLY 99 H GLY 99 -12.651 8.086 -4.282 663 1HA GLY 99 1HA GLY 99 -12.125 5.448 -3.422 664 2HA GLY 99 2HA GLY 99 -13.415 5.437 -4.637 665 H LYS 100 H LYS 100 -10.101 5.566 -4.040 666 HA LYS 100 HA LYS 100 -9.667 5.911 -6.955 667 1HB LYS 100 1HB LYS 100 -7.394 6.722 -5.352 668 1HG LYS 100 1HG LYS 100 -9.097 7.676 -3.881 669 1HD LYS 100 1HD LYS 100 -9.926 9.155 -6.354 670 1HE LYS 100 1HE LYS 100 -10.513 9.820 -3.461 671 1HZ LYS 100 1HZ LYS 100 -12.135 11.188 -4.163 672 2HZ LYS 100 2HZ LYS 100 -12.210 10.163 -5.507 673 3HZ LYS 100 3HZ LYS 100 -11.338 11.608 -5.594 674 H GLU 101 H GLU 101 -9.382 3.770 -7.356 675 HA GLU 101 HA GLU 101 -7.292 2.378 -5.875 676 1HB GLU 101 1HB GLU 101 -8.398 0.414 -6.098 677 1HG GLU 101 1HG GLU 101 -9.438 1.304 -8.757 678 H LEU 102 H LEU 102 -5.436 2.623 -6.723 679 HA LEU 102 HA LEU 102 -4.666 1.406 -9.101 680 1HB LEU 102 1HB LEU 102 -4.783 4.401 -9.158 681 HG LEU 102 HG LEU 102 -6.649 3.526 -10.309 682 1HD1 LEU 102 1HD1 LEU 102 -6.363 4.416 -12.429 683 2HD1 LEU 102 2HD1 LEU 102 -5.081 5.194 -11.502 684 3HD1 LEU 102 3HD1 LEU 102 -4.704 3.834 -12.560 685 1HD2 LEU 102 1HD2 LEU 102 -4.800 1.609 -11.742 686 2HD2 LEU 102 2HD2 LEU 102 -5.848 1.167 -10.382 687 3HD2 LEU 102 3HD2 LEU 102 -6.551 1.713 -11.914 688 H ILE 103 H ILE 103 -3.307 0.413 -7.724 689 HA ILE 103 HA ILE 103 -0.866 1.844 -7.251 690 HB ILE 103 HB ILE 103 -2.818 1.402 -5.080 691 1HG1 ILE 103 1HG1 ILE 103 -0.520 3.327 -5.492 692 1HG2 ILE 103 1HG2 ILE 103 -1.269 -0.195 -4.308 693 2HG2 ILE 103 2HG2 ILE 103 0.112 0.835 -4.699 694 3HG2 ILE 103 3HG2 ILE 103 -0.969 1.272 -3.372 695 1HD1 ILE 103 1HD1 ILE 103 -1.312 2.900 -3.090 696 2HD1 ILE 103 2HD1 ILE 103 -1.160 4.561 -3.672 697 3HD1 ILE 103 3HD1 ILE 103 -2.750 3.798 -3.585 698 H ALA 104 H ALA 104 0.545 0.296 -7.920 699 HA ALA 104 HA ALA 104 0.877 -2.019 -6.385 700 1HB ALA 104 1HB ALA 104 0.124 -3.066 -8.984 701 2HB ALA 104 2HB ALA 104 -0.247 -3.615 -7.342 702 3HB ALA 104 3HB ALA 104 -1.199 -2.330 -8.070 703 H VAL 105 H VAL 105 2.995 -1.969 -6.342 704 HA VAL 105 HA VAL 105 4.445 -2.577 -8.708 705 HB VAL 105 HB VAL 105 4.178 0.276 -8.124 706 1HG1 VAL 105 1HG1 VAL 105 6.774 -0.886 -7.663 707 2HG1 VAL 105 2HG1 VAL 105 6.829 0.089 -9.126 708 3HG1 VAL 105 3HG1 VAL 105 6.316 0.817 -7.599 709 1HG2 VAL 105 1HG2 VAL 105 4.803 -1.558 -10.367 710 2HG2 VAL 105 2HG2 VAL 105 3.644 -0.228 -10.277 711 3HG2 VAL 105 3HG2 VAL 105 5.360 0.111 -10.510 712 H ARG 106 H ARG 106 6.346 -3.344 -8.443 713 HA ARG 106 HA ARG 106 8.104 -2.697 -6.355 714 1HB ARG 106 1HB ARG 106 6.304 -4.643 -5.718 715 1HG ARG 106 1HG ARG 106 8.958 -4.019 -4.486 716 1HD ARG 106 1HD ARG 106 6.632 -5.731 -3.586 717 HE ARG 106 HE ARG 106 8.752 -6.338 -1.996 718 1HH1 ARG 106 1HH1 ARG 106 7.287 -3.219 -2.603 719 2HH1 ARG 106 2HH1 ARG 106 7.144 -2.818 -0.889 720 1HH2 ARG 106 1HH2 ARG 106 8.511 -5.820 0.263 721 2HH2 ARG 106 2HH2 ARG 106 7.804 -4.248 0.693 722 H GLU 107 H GLU 107 9.428 -2.437 -8.030 723 HA GLU 107 HA GLU 107 10.311 -4.873 -9.394 724 1HB GLU 107 1HB GLU 107 11.407 -2.571 -10.623 725 1HG GLU 107 1HG GLU 107 8.456 -2.381 -10.034 726 H ILE 108 H ILE 108 11.316 -5.312 -7.507 727 HA ILE 108 HA ILE 108 13.413 -3.684 -6.476 728 HB ILE 108 HB ILE 108 12.150 -6.293 -5.601 729 1HG1 ILE 108 1HG1 ILE 108 11.697 -3.423 -4.745 730 1HG2 ILE 108 1HG2 ILE 108 13.749 -6.482 -4.063 731 2HG2 ILE 108 2HG2 ILE 108 14.583 -5.105 -4.782 732 3HG2 ILE 108 3HG2 ILE 108 13.421 -4.850 -3.481 733 1HD1 ILE 108 1HD1 ILE 108 11.534 -4.523 -2.703 734 2HD1 ILE 108 2HD1 ILE 108 9.875 -4.562 -3.311 735 3HD1 ILE 108 3HD1 ILE 108 10.899 -5.995 -3.435 736 H SER 109 H SER 109 15.441 -4.049 -6.808 737 HA SER 109 HA SER 109 16.376 -6.624 -7.890 738 1HB SER 109 1HB SER 109 16.321 -3.968 -9.167 739 HG SER 109 HG SER 109 15.444 -6.111 -9.898 740 H GLY 110 H GLY 110 18.268 -7.318 -6.979 741 1HA GLY 110 1HA GLY 110 20.009 -7.337 -5.444 742 2HA GLY 110 2HA GLY 110 20.436 -5.783 -6.167 743 H ASN 111 H ASN 111 19.990 -3.927 -5.114 744 HA ASN 111 HA ASN 111 18.203 -4.031 -2.823 745 1HB ASN 111 1HB ASN 111 19.819 -2.657 -1.466 746 1HD2 ASN 111 1HD2 ASN 111 20.753 -2.843 -4.623 747 2HD2 ASN 111 2HD2 ASN 111 22.398 -2.352 -4.456 748 H GLU 112 H GLU 112 16.754 -2.911 -3.925 749 HA GLU 112 HA GLU 112 16.879 -0.102 -3.962 750 1HB GLU 112 1HB GLU 112 18.261 -0.376 -5.950 751 1HG GLU 112 1HG GLU 112 15.431 0.378 -6.635 752 H LEU 113 H LEU 113 14.678 0.585 -3.847 753 HA LEU 113 HA LEU 113 12.808 -1.503 -4.757 754 1HB LEU 113 1HB LEU 113 13.008 -0.508 -2.186 755 HG LEU 113 HG LEU 113 11.304 -2.253 -3.624 756 1HD1 LEU 113 1HD1 LEU 113 10.923 -2.282 -0.773 757 2HD1 LEU 113 2HD1 LEU 113 11.698 -3.468 -1.821 758 3HD1 LEU 113 3HD1 LEU 113 12.626 -2.102 -1.203 759 1HD2 LEU 113 1HD2 LEU 113 9.684 -0.753 -1.603 760 2HD2 LEU 113 2HD2 LEU 113 9.697 -0.252 -3.293 761 3HD2 LEU 113 3HD2 LEU 113 9.138 -1.869 -2.857 762 H ILE 114 H ILE 114 10.708 -0.555 -4.982 763 HA ILE 114 HA ILE 114 10.577 1.958 -6.389 764 HB ILE 114 HB ILE 114 9.312 0.220 -8.110 765 1HG1 ILE 114 1HG1 ILE 114 10.633 -1.655 -8.473 766 1HG2 ILE 114 1HG2 ILE 114 12.017 1.527 -8.153 767 2HG2 ILE 114 2HG2 ILE 114 11.455 0.553 -9.513 768 3HG2 ILE 114 3HG2 ILE 114 10.548 1.982 -9.016 769 1HD1 ILE 114 1HD1 ILE 114 10.504 -2.972 -6.623 770 2HD1 ILE 114 2HD1 ILE 114 11.038 -1.692 -5.537 771 3HD1 ILE 114 3HD1 ILE 114 9.398 -1.671 -6.185 772 H GLN 115 H GLN 115 8.553 2.733 -6.259 773 HA GLN 115 HA GLN 115 6.435 0.939 -5.534 774 1HB GLN 115 1HB GLN 115 7.451 3.164 -3.749 775 1HG GLN 115 1HG GLN 115 7.184 0.167 -3.419 776 1HE2 GLN 115 1HE2 GLN 115 9.076 1.486 -1.094 777 2HE2 GLN 115 2HE2 GLN 115 7.956 1.486 0.221 778 H THR 116 H THR 116 5.141 1.462 -7.142 779 HA THR 116 HA THR 116 4.746 4.247 -7.857 780 HB THR 116 HB THR 116 3.605 1.909 -9.340 781 HG1 THR 116 HG1 THR 116 6.187 2.526 -9.060 782 1HG2 THR 116 1HG2 THR 116 3.222 3.385 -11.060 783 2HG2 THR 116 2HG2 THR 116 4.498 4.480 -10.525 784 3HG2 THR 116 3HG2 THR 116 2.965 4.418 -9.652 785 H TYR 117 H TYR 117 2.977 5.258 -7.178 786 HA TYR 117 HA TYR 117 0.695 3.578 -6.538 787 1HB TYR 117 1HB TYR 117 1.002 6.269 -5.268 788 HD1 TYR 117 HD1 TYR 117 0.871 3.604 -2.972 789 HD2 TYR 117 HD2 TYR 117 3.686 5.882 -5.219 790 HE1 TYR 117 HE1 TYR 117 2.666 2.948 -1.415 791 HE2 TYR 117 HE2 TYR 117 5.469 5.221 -3.674 792 HH TYR 117 HH TYR 117 6.022 4.000 -1.922 793 H THR 118 H THR 118 -1.286 4.559 -6.874 794 HA THR 118 HA THR 118 -1.497 6.863 -8.615 795 HB THR 118 HB THR 118 -2.622 4.218 -9.555 796 HG1 THR 118 HG1 THR 118 -0.389 4.878 -10.897 797 1HG2 THR 118 1HG2 THR 118 -1.728 6.748 -11.002 798 2HG2 THR 118 2HG2 THR 118 -3.406 6.326 -10.604 799 3HG2 THR 118 3HG2 THR 118 -2.497 5.332 -11.741 800 H TYR 119 H TYR 119 -3.847 7.372 -8.935 801 HA TYR 119 HA TYR 119 -5.857 5.986 -7.460 802 1HB TYR 119 1HB TYR 119 -6.300 7.817 -5.805 803 HD1 TYR 119 HD1 TYR 119 -6.168 10.103 -6.596 804 HD2 TYR 119 HD2 TYR 119 -2.660 7.935 -5.492 805 HE1 TYR 119 HE1 TYR 119 -4.925 12.213 -6.453 806 HE2 TYR 119 HE2 TYR 119 -1.401 10.067 -5.358 807 HH TYR 119 HH TYR 119 -1.474 12.244 -5.676 808 H GLU 120 H GLU 120 -7.170 6.111 -9.064 809 HA GLU 120 HA GLU 120 -8.692 7.005 -10.512 810 1HB GLU 120 1HB GLU 120 -7.716 9.729 -9.616 811 1HG GLU 120 1HG GLU 120 -8.595 8.226 -7.752 812 H GLY 121 H GLY 121 -5.755 9.061 -10.325 813 1HA GLY 121 1HA GLY 121 -4.592 7.803 -12.520 814 2HA GLY 121 2HA GLY 121 -5.336 9.291 -13.084 815 H VAL 122 H VAL 122 -2.755 7.855 -11.280 816 HA VAL 122 HA VAL 122 -1.025 9.969 -11.798 817 HB VAL 122 HB VAL 122 -1.833 11.284 -10.001 818 1HG1 VAL 122 1HG1 VAL 122 -3.130 10.416 -8.441 819 2HG1 VAL 122 2HG1 VAL 122 -2.792 8.808 -9.083 820 3HG1 VAL 122 3HG1 VAL 122 -1.778 9.479 -7.806 821 1HG2 VAL 122 1HG2 VAL 122 0.054 11.555 -8.818 822 2HG2 VAL 122 2HG2 VAL 122 0.123 9.860 -8.322 823 3HG2 VAL 122 3HG2 VAL 122 0.693 10.341 -9.925 824 H GLU 123 H GLU 123 0.549 8.517 -12.447 825 HA GLU 123 HA GLU 123 1.200 6.537 -10.388 826 1HB GLU 123 1HB GLU 123 2.212 5.161 -11.907 827 1HG GLU 123 1HG GLU 123 2.488 7.474 -13.805 828 H ALA 124 H ALA 124 3.169 6.516 -9.498 829 HA ALA 124 HA ALA 124 5.338 8.149 -10.389 830 1HB ALA 124 1HB ALA 124 3.474 9.184 -8.282 831 2HB ALA 124 2HB ALA 124 5.203 9.534 -8.153 832 3HB ALA 124 3HB ALA 124 4.303 10.054 -9.579 833 H LYS 125 H LYS 125 7.239 7.760 -9.170 834 HA LYS 125 HA LYS 125 7.114 6.166 -6.767 835 1HB LYS 125 1HB LYS 125 8.772 4.687 -8.586 836 1HG LYS 125 1HG LYS 125 7.126 3.671 -9.994 837 1HD LYS 125 1HD LYS 125 6.995 6.656 -10.254 838 1HE LYS 125 1HE LYS 125 5.163 5.926 -11.455 839 1HZ LYS 125 1HZ LYS 125 6.750 3.619 -12.455 840 2HZ LYS 125 2HZ LYS 125 5.147 3.981 -12.861 841 3HZ LYS 125 3HZ LYS 125 5.533 3.530 -11.272 842 H ARG 126 H ARG 126 9.029 6.110 -5.609 843 HA ARG 126 HA ARG 126 11.490 6.870 -6.752 844 1HB ARG 126 1HB ARG 126 11.753 9.010 -6.315 845 1HG ARG 126 1HG ARG 126 10.364 10.169 -4.419 846 1HD ARG 126 1HD ARG 126 12.683 10.369 -4.437 847 HE ARG 126 HE ARG 126 13.088 7.674 -3.504 848 1HH1 ARG 126 1HH1 ARG 126 13.476 9.992 -6.053 849 2HH1 ARG 126 2HH1 ARG 126 14.404 8.923 -7.052 850 1HH2 ARG 126 1HH2 ARG 126 14.252 6.231 -4.785 851 2HH2 ARG 126 2HH2 ARG 126 14.844 6.779 -6.361 852 H ILE 127 H ILE 127 12.531 5.306 -5.764 853 HA ILE 127 HA ILE 127 12.935 5.545 -2.955 854 HB ILE 127 HB ILE 127 11.979 2.821 -3.673 855 1HG1 ILE 127 1HG1 ILE 127 10.138 5.226 -3.278 856 1HG2 ILE 127 1HG2 ILE 127 12.994 3.985 -1.462 857 2HG2 ILE 127 2HG2 ILE 127 11.266 4.093 -1.132 858 3HG2 ILE 127 3HG2 ILE 127 12.001 2.520 -1.471 859 1HD1 ILE 127 1HD1 ILE 127 9.492 2.413 -2.462 860 2HD1 ILE 127 2HD1 ILE 127 9.560 3.833 -1.420 861 3HD1 ILE 127 3HD1 ILE 127 8.326 3.718 -2.673 862 H PHE 128 H PHE 128 15.049 4.975 -2.628 863 HA PHE 128 HA PHE 128 16.012 2.757 -4.276 864 1HB PHE 128 1HB PHE 128 17.607 5.230 -3.566 865 HD1 PHE 128 HD1 PHE 128 17.684 6.813 -5.344 866 HD2 PHE 128 HD2 PHE 128 16.309 2.847 -6.043 867 HE1 PHE 128 HE1 PHE 128 16.969 7.473 -7.612 868 HE2 PHE 128 HE2 PHE 128 15.626 3.483 -8.331 869 HZ PHE 128 HZ PHE 128 15.958 5.799 -9.115 870 H LYS 129 H LYS 129 15.697 1.409 -3.068 871 HA LYS 129 HA LYS 129 16.126 1.594 -0.219 872 1HB LYS 129 1HB LYS 129 14.513 -0.153 -2.011 873 1HG LYS 129 1HG LYS 129 13.912 1.901 0.038 874 1HD LYS 129 1HD LYS 129 12.248 -0.457 -0.743 875 1HE LYS 129 1HE LYS 129 10.775 1.402 -0.947 876 1HZ LYS 129 1HZ LYS 129 10.994 2.249 1.822 877 2HZ LYS 129 2HZ LYS 129 10.791 3.174 0.420 878 3HZ LYS 129 3HZ LYS 129 12.336 2.658 0.876 879 H LYS 130 H LYS 130 16.479 -0.199 0.990 880 HA LYS 130 HA LYS 130 17.757 -1.778 1.883 881 1HB LYS 130 1HB LYS 130 16.395 -2.859 -0.033 882 1HG LYS 130 1HG LYS 130 18.583 -4.146 1.520 883 1HD LYS 130 1HD LYS 130 16.969 -5.286 -0.686 884 1HE LYS 130 1HE LYS 130 15.913 -6.302 1.249 885 1HZ LYS 130 1HZ LYS 130 18.626 -6.477 2.201 886 2HZ LYS 130 2HZ LYS 130 17.751 -7.913 2.390 887 3HZ LYS 130 3HZ LYS 130 17.171 -6.476 3.067 888 H GLU 131 H GLU 131 19.816 -2.495 2.255 889 HA GLU 131 HA GLU 131 21.951 -1.829 0.392 890 1HB GLU 131 1HB GLU 131 21.801 -0.632 3.166 891 1HG GLU 131 1HG GLU 131 22.000 0.715 0.483
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