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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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12688 |
1te7 ![]() ![]() |
cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -15.377 15.718 10.770 2 HA MET 1 HA MET 1 -13.780 15.411 8.396 3 HB2 MET 1 1HB MET 1 -13.279 15.168 11.404 4 HB3 MET 1 2HB MET 1 -12.049 14.704 10.245 5 HG2 MET 1 1HG MET 1 -12.146 17.009 9.240 6 HG3 MET 1 2HG MET 1 -13.347 17.468 10.430 7 HE1 MET 1 3HE MET 1 -10.153 19.326 11.266 8 HE2 MET 1 1HE MET 1 -11.717 19.284 10.418 9 HE3 MET 1 2HE MET 1 -11.671 19.391 12.194 10 H GLN 2 H GLN 2 -12.386 13.341 8.215 11 HA GLN 2 HA GLN 2 -13.658 11.028 9.346 12 HB2 GLN 2 1HB GLN 2 -14.011 11.856 6.526 13 HB3 GLN 2 2HB GLN 2 -13.432 10.211 6.697 14 HG2 GLN 2 1HG GLN 2 -15.526 9.539 7.239 15 HG3 GLN 2 2HG GLN 2 -15.469 10.540 8.677 16 HE21 GLN 2 2HE2 GLN 2 -18.157 11.368 5.954 17 HE22 GLN 2 1HE2 GLN 2 -17.427 9.848 6.351 18 HA PRO 3 HA PRO 3 -9.512 9.743 9.188 19 HB2 PRO 3 2HB PRO 3 -9.811 8.321 10.975 20 HB3 PRO 3 1HB PRO 3 -9.788 7.080 9.738 21 HG2 PRO 3 1HG PRO 3 -12.071 6.779 9.855 22 HG3 PRO 3 2HG PRO 3 -11.998 7.692 11.349 23 HD2 PRO 3 1HD PRO 3 -13.277 8.493 8.910 24 HD3 PRO 3 2HD PRO 3 -13.103 9.452 10.366 25 H ASN 4 H ASN 4 -7.940 8.092 8.211 26 HA ASN 4 HA ASN 4 -8.680 8.053 5.445 27 HB2 ASN 4 1HB ASN 4 -6.424 8.689 5.674 28 HB3 ASN 4 2HB ASN 4 -6.157 7.637 7.050 29 HD21 ASN 4 2HD2 ASN 4 -4.986 4.908 5.260 30 HD22 ASN 4 1HD2 ASN 4 -5.358 5.654 6.779 31 H ASP 5 H ASP 5 -8.293 5.972 4.140 32 HA ASP 5 HA ASP 5 -9.328 3.758 5.667 33 HB2 ASP 5 1HB ASP 5 -8.843 4.072 2.667 34 HB3 ASP 5 2HB ASP 5 -9.668 2.718 3.413 35 HD2 ASP 5 HD ASP 5 -12.322 4.774 2.270 36 H ILE 6 H ILE 6 -6.718 4.511 3.234 37 HA ILE 6 HA ILE 6 -4.918 2.748 4.643 38 HB ILE 6 HB ILE 6 -5.937 1.128 3.261 39 HG12 ILE 6 1HG1 ILE 6 -3.444 1.899 1.738 40 HG13 ILE 6 2HG1 ILE 6 -3.376 1.295 3.382 41 HG21 ILE 6 1HG2 ILE 6 -7.156 2.363 1.673 42 HG22 ILE 6 2HG2 ILE 6 -5.696 3.169 1.050 43 HG23 ILE 6 3HG2 ILE 6 -5.961 1.438 0.732 44 HD11 ILE 6 3HD1 ILE 6 -3.550 -0.822 2.606 45 HD12 ILE 6 1HD1 ILE 6 -5.147 -0.435 1.924 46 HD13 ILE 6 2HD1 ILE 6 -3.680 -0.205 0.942 47 H THR 7 H THR 7 -2.741 3.317 4.321 48 HA THR 7 HA THR 7 -2.406 5.798 2.779 49 HB THR 7 HB THR 7 -0.303 5.874 4.372 50 HG1 THR 7 1HG THR 7 -0.455 3.732 5.192 51 HG21 THR 7 3HG2 THR 7 -1.597 6.829 6.210 52 HG22 THR 7 1HG2 THR 7 -2.432 7.268 4.700 53 HG23 THR 7 2HG2 THR 7 -3.055 5.940 5.708 54 H PHE 8 H PHE 8 0.081 6.037 2.120 55 HA PHE 8 HA PHE 8 1.273 3.588 1.278 56 HB2 PHE 8 1HB PHE 8 0.154 5.580 -0.783 57 HB3 PHE 8 2HB PHE 8 1.000 4.092 -1.161 58 HD1 PHE 8 1HD PHE 8 -2.147 5.506 0.110 59 HD2 PHE 8 2HD PHE 8 -0.131 1.975 -1.105 60 HE1 PHE 8 1HE PHE 8 -4.336 4.280 0.040 61 HE2 PHE 8 2HE PHE 8 -2.320 0.749 -1.175 62 HZ PHE 8 HZ PHE 8 -4.396 1.916 -0.602 63 H PHE 9 H PHE 9 3.408 3.987 1.584 64 HA PHE 9 HA PHE 9 4.588 6.271 2.211 65 HB2 PHE 9 1HB PHE 9 5.561 3.904 1.946 66 HB3 PHE 9 2HB PHE 9 5.666 4.185 0.220 67 HD1 PHE 9 1HD PHE 9 6.428 6.745 2.767 68 HD2 PHE 9 2HD PHE 9 8.022 3.934 0.016 69 HE1 PHE 9 1HE PHE 9 8.711 7.745 3.068 70 HE2 PHE 9 2HE PHE 9 10.304 4.933 0.317 71 HZ PHE 9 HZ PHE 9 10.622 6.827 1.839 72 H GLN 10 H GLN 10 5.961 7.867 1.087 73 HA GLN 10 HA GLN 10 4.650 9.191 -0.867 74 HB2 GLN 10 1HB GLN 10 7.081 10.146 -1.351 75 HB3 GLN 10 2HB GLN 10 6.280 10.475 0.172 76 HG2 GLN 10 1HG GLN 10 7.826 9.294 1.357 77 HG3 GLN 10 2HG GLN 10 7.715 7.918 0.278 78 HE21 GLN 10 2HE2 GLN 10 11.145 9.507 0.238 79 HE22 GLN 10 1HE2 GLN 10 10.061 8.997 1.489 80 H ARG 11 H ARG 11 7.340 6.795 -1.235 81 HA ARG 11 HA ARG 11 7.613 7.063 -3.950 82 HB2 ARG 11 1HB ARG 11 8.001 4.588 -2.192 83 HB3 ARG 11 2HB ARG 11 8.606 4.730 -3.831 84 HG2 ARG 11 1HG ARG 11 9.664 7.014 -2.840 85 HG3 ARG 11 2HG ARG 11 9.536 6.130 -1.332 86 HD2 ARG 11 1HD ARG 11 11.234 4.694 -1.888 87 HD3 ARG 11 2HD ARG 11 10.645 4.478 -3.524 88 HE ARG 11 HE ARG 11 11.770 7.132 -3.145 89 HH11 ARG 11 2HH2 ARG 11 12.645 3.751 -3.743 90 HH12 ARG 11 1HH2 ARG 11 14.151 4.145 -4.501 91 HH21 ARG 11 1HH ARG 11 14.785 6.445 -4.727 92 H PHE 12 H PHE 12 5.543 4.825 -1.986 93 HA PHE 12 HA PHE 12 4.479 3.443 -4.176 94 HB2 PHE 12 1HB PHE 12 4.483 3.204 -1.457 95 HB3 PHE 12 2HB PHE 12 2.936 4.012 -1.618 96 HD1 PHE 12 1HD PHE 12 1.595 2.884 -3.815 97 HD2 PHE 12 2HD PHE 12 4.252 0.944 -1.136 98 HE1 PHE 12 1HE PHE 12 0.499 0.684 -4.323 99 HE2 PHE 12 2HE PHE 12 3.157 -1.257 -1.644 100 HZ PHE 12 HZ PHE 12 1.293 -1.361 -3.231 101 H GLN 13 H GLN 13 3.506 6.443 -2.453 102 HA GLN 13 HA GLN 13 0.988 6.622 -3.613 103 HB2 GLN 13 1HB GLN 13 2.714 8.239 -1.918 104 HB3 GLN 13 2HB GLN 13 1.941 9.260 -3.114 105 HG2 GLN 13 1HG GLN 13 0.060 7.295 -1.982 106 HG3 GLN 13 2HG GLN 13 0.778 8.297 -0.736 107 HE21 GLN 13 2HE2 GLN 13 -1.925 9.763 -3.435 108 HE22 GLN 13 1HE2 GLN 13 -1.298 8.149 -3.486 109 H ASP 14 H ASP 14 4.211 7.964 -4.560 110 HA ASP 14 HA ASP 14 3.338 9.487 -6.661 111 HB2 ASP 14 1HB ASP 14 5.608 9.713 -5.928 112 HB3 ASP 14 2HB ASP 14 5.923 7.997 -6.093 113 HD2 ASP 14 HD ASP 14 5.616 10.326 -9.301 114 H ASP 15 H ASP 15 4.476 6.036 -6.510 115 HA ASP 15 HA ASP 15 4.336 5.499 -9.190 116 HB2 ASP 15 1HB ASP 15 4.895 4.088 -6.853 117 HB3 ASP 15 2HB ASP 15 3.436 3.295 -7.412 118 HD2 ASP 15 HD ASP 15 4.936 1.182 -8.590 119 H ILE 16 H ILE 16 1.849 5.531 -6.597 120 HA ILE 16 HA ILE 16 -0.172 4.215 -8.033 121 HB ILE 16 HB ILE 16 -0.089 6.028 -5.645 122 HG12 ILE 16 1HG1 ILE 16 -1.031 3.163 -5.865 123 HG13 ILE 16 2HG1 ILE 16 0.655 3.578 -5.625 124 HG21 ILE 16 1HG2 ILE 16 -2.415 5.449 -7.330 125 HG22 ILE 16 2HG2 ILE 16 -2.636 4.993 -5.624 126 HG23 ILE 16 3HG2 ILE 16 -2.192 6.663 -6.048 127 HD11 ILE 16 3HD1 ILE 16 0.078 4.836 -3.563 128 HD12 ILE 16 1HD1 ILE 16 -1.643 4.456 -3.814 129 HD13 ILE 16 2HD1 ILE 16 -0.486 3.151 -3.461 130 H LEU 17 H LEU 17 0.742 7.690 -7.677 131 HA LEU 17 HA LEU 17 -1.409 8.727 -9.095 132 HB2 LEU 17 1HB LEU 17 -0.445 10.605 -8.485 133 HB3 LEU 17 2HB LEU 17 0.874 9.670 -7.810 134 HG LEU 17 HG LEU 17 1.805 9.759 -10.281 135 HD11 LEU 17 1HD1 LEU 17 1.068 12.378 -10.821 136 HD12 LEU 17 2HD1 LEU 17 0.529 10.920 -11.689 137 HD13 LEU 17 3HD1 LEU 17 -0.462 11.589 -10.369 138 HD21 LEU 17 3HD2 LEU 17 2.601 10.840 -8.019 139 HD22 LEU 17 1HD2 LEU 17 3.299 11.350 -9.575 140 HD23 LEU 17 2HD2 LEU 17 2.047 12.345 -8.792 141 H ALA 18 H ALA 18 1.415 6.918 -10.132 142 HA ALA 18 HA ALA 18 1.177 7.812 -12.868 143 HB1 ALA 18 3HB ALA 18 2.894 5.714 -12.941 144 HB2 ALA 18 1HB ALA 18 3.385 7.362 -12.482 145 HB3 ALA 18 2HB ALA 18 3.029 6.155 -11.222 146 H GLY 19 H GLY 19 -0.856 6.094 -11.034 147 HA2 GLY 19 1HA GLY 19 -2.565 4.731 -11.629 148 HA3 GLY 19 2HA GLY 19 -1.933 4.645 -13.261 149 H ARG 20 H ARG 20 -1.330 2.625 -13.889 150 HA ARG 20 HA ARG 20 -0.882 0.498 -13.733 151 HB2 ARG 20 1HB ARG 20 1.377 2.020 -12.883 152 HB3 ARG 20 2HB ARG 20 1.330 0.629 -11.819 153 HG2 ARG 20 1HG ARG 20 1.099 0.376 -14.849 154 HG3 ARG 20 2HG ARG 20 2.642 0.341 -14.019 155 HD2 ARG 20 1HD ARG 20 1.559 -1.545 -12.537 156 HD3 ARG 20 2HD ARG 20 0.348 -1.643 -13.800 157 HE ARG 20 HE ARG 20 2.920 -1.693 -15.041 158 HH11 ARG 20 2HH2 ARG 20 0.899 -3.735 -12.968 159 HH12 ARG 20 1HH2 ARG 20 1.600 -5.215 -13.531 160 HH21 ARG 20 1HH ARG 20 3.330 -5.139 -15.187 161 H LYS 21 H LYS 21 -2.632 -0.488 -12.631 162 HA LYS 21 HA LYS 21 -3.354 -0.296 -10.056 163 HB2 LYS 21 1HB LYS 21 -4.474 -2.385 -10.311 164 HB3 LYS 21 2HB LYS 21 -4.499 -1.581 -11.867 165 HG2 LYS 21 1HG LYS 21 -2.076 -3.162 -11.693 166 HG3 LYS 21 2HG LYS 21 -3.431 -4.173 -11.231 167 HD2 LYS 21 1HD LYS 21 -4.636 -3.515 -13.327 168 HD3 LYS 21 2HD LYS 21 -3.278 -2.508 -13.789 169 HE2 LYS 21 1HE LYS 21 -2.195 -4.295 -14.671 170 HE3 LYS 21 2HE LYS 21 -2.263 -5.139 -13.137 171 HZ1 LYS 21 2HZ LYS 21 -4.404 -5.135 -15.197 172 HZ3 LYS 21 1HZ LYS 21 -4.554 -5.845 -13.738 173 H THR 22 H THR 22 -2.915 -1.412 -8.069 174 HA THR 22 HA THR 22 -0.559 -3.091 -7.970 175 HB THR 22 HB THR 22 -0.704 -0.321 -6.673 176 HG1 THR 22 1HG THR 22 1.201 -0.123 -8.070 177 HG21 THR 22 3HG2 THR 22 0.364 -2.062 -5.157 178 HG22 THR 22 1HG2 THR 22 1.486 -2.453 -6.482 179 HG23 THR 22 2HG2 THR 22 1.515 -0.835 -5.741 180 H ILE 23 H ILE 23 -0.297 -4.169 -5.898 181 HA ILE 23 HA ILE 23 -2.904 -4.436 -4.616 182 HB ILE 23 HB ILE 23 -0.835 -6.306 -3.802 183 HG12 ILE 23 1HG1 ILE 23 -1.087 -7.457 -6.182 184 HG13 ILE 23 2HG1 ILE 23 -1.244 -5.799 -6.725 185 HG21 ILE 23 1HG2 ILE 23 -3.401 -6.890 -5.276 186 HG22 ILE 23 2HG2 ILE 23 -2.533 -7.895 -4.091 187 HG23 ILE 23 3HG2 ILE 23 -3.380 -6.423 -3.559 188 HD11 ILE 23 3HD1 ILE 23 1.146 -7.227 -5.854 189 HD12 ILE 23 1HD1 ILE 23 1.015 -5.649 -6.666 190 HD13 ILE 23 2HD1 ILE 23 0.914 -5.748 -4.891 191 H THR 24 H THR 24 -3.025 -4.578 -2.239 192 HA THR 24 HA THR 24 -0.854 -3.055 -0.955 193 HB THR 24 HB THR 24 -2.535 -1.754 0.205 194 HG1 THR 24 1HG THR 24 -3.949 -3.669 0.504 195 HG21 THR 24 3HG2 THR 24 -2.311 -1.309 -2.379 196 HG22 THR 24 1HG2 THR 24 -3.873 -2.155 -2.501 197 HG23 THR 24 2HG2 THR 24 -3.742 -0.660 -1.543 198 H ILE 25 H ILE 25 -1.132 -3.247 1.574 199 HA ILE 25 HA ILE 25 -1.920 -5.984 2.223 200 HB ILE 25 HB ILE 25 0.756 -4.776 2.928 201 HG12 ILE 25 1HG1 ILE 25 1.552 -6.776 1.491 202 HG13 ILE 25 2HG1 ILE 25 -0.066 -6.768 0.818 203 HG21 ILE 25 1HG2 ILE 25 0.171 -7.663 3.312 204 HG22 ILE 25 2HG2 ILE 25 1.175 -6.549 4.272 205 HG23 ILE 25 3HG2 ILE 25 -0.596 -6.525 4.446 206 HD11 ILE 25 3HD1 ILE 25 0.917 -4.043 0.893 207 HD12 ILE 25 1HD1 ILE 25 2.125 -5.085 0.104 208 HD13 ILE 25 2HD1 ILE 25 0.460 -5.023 -0.521 209 H ARG 26 H ARG 26 -3.074 -6.095 4.093 210 HA ARG 26 HA ARG 26 -2.812 -3.809 5.868 211 HB2 ARG 26 1HB ARG 26 -5.514 -5.046 5.789 212 HB3 ARG 26 2HB ARG 26 -5.071 -3.351 5.836 213 HG2 ARG 26 1HG ARG 26 -4.697 -5.027 3.321 214 HG3 ARG 26 2HG ARG 26 -6.217 -4.230 3.675 215 HD2 ARG 26 1HD ARG 26 -3.538 -2.763 3.561 216 HD3 ARG 26 2HD ARG 26 -4.627 -2.891 2.194 217 HE ARG 26 HE ARG 26 -6.209 -1.479 3.318 218 HH11 ARG 26 2HH2 ARG 26 -3.314 -2.050 5.279 219 HH12 ARG 26 1HH2 ARG 26 -3.642 -0.743 6.367 220 HH21 ARG 26 1HH ARG 26 -5.605 0.593 6.039 221 H ASP 27 H ASP 27 -4.045 -4.409 8.089 222 HA ASP 27 HA ASP 27 -3.163 -7.111 8.706 223 HB2 ASP 27 1HB ASP 27 -2.002 -5.499 10.061 224 HB3 ASP 27 2HB ASP 27 -3.462 -4.576 10.355 225 HD2 ASP 27 HD ASP 27 -3.513 -8.106 12.156 226 H GLU 28 H GLU 28 -4.735 -8.598 9.412 227 HA GLU 28 HA GLU 28 -7.370 -8.151 9.017 228 HB2 GLU 28 1HB GLU 28 -6.743 -10.403 9.206 229 HB3 GLU 28 2HB GLU 28 -5.822 -10.140 10.673 230 HG2 GLU 28 1HG GLU 28 -7.889 -11.345 11.219 231 HG3 GLU 28 2HG GLU 28 -7.942 -9.749 11.940 232 HE2 GLU 28 HE GLU 28 -10.314 -11.175 9.237 233 H SER 29 H SER 29 -5.475 -7.768 12.067 234 HA SER 29 HA SER 29 -7.638 -7.264 13.705 235 HB2 SER 29 1HB SER 29 -5.525 -7.740 14.717 236 HB3 SER 29 2HB SER 29 -4.708 -6.477 13.817 237 HG SER 29 HG SER 29 -5.874 -6.313 16.261 238 H GLU 30 H GLU 30 -6.339 -5.435 11.094 239 HA GLU 30 HA GLU 30 -7.728 -3.076 12.102 240 HB2 GLU 30 1HB GLU 30 -5.061 -3.348 10.740 241 HB3 GLU 30 2HB GLU 30 -6.026 -1.939 10.347 242 HG2 GLU 30 1HG GLU 30 -5.702 -0.987 12.405 243 HG3 GLU 30 2HG GLU 30 -5.955 -2.499 13.252 244 HE2 GLU 30 HE GLU 30 -2.646 -3.433 13.220 245 H SER 31 H SER 31 -8.446 -5.545 10.349 246 HA SER 31 HA SER 31 -8.631 -5.118 7.763 247 HB2 SER 31 1HB SER 31 -10.049 -6.866 7.932 248 HB3 SER 31 2HB SER 31 -10.056 -6.642 9.670 249 HG SER 31 HG SER 31 -12.121 -6.143 9.467 250 H HIS 32 H HIS 32 -8.900 -3.145 6.748 251 HA HIS 32 HA HIS 32 -10.816 -1.281 7.820 252 HB2 HIS 32 1HB HIS 32 -9.898 0.284 6.254 253 HB3 HIS 32 2HB HIS 32 -8.583 -0.554 7.053 254 HD1 HIS 32 1HD HIS 32 -9.366 -3.121 4.920 255 HD2 HIS 32 2HD HIS 32 -7.900 0.737 4.168 256 HE1 HIS 32 1HE HIS 32 -8.236 -3.219 2.635 257 H PHE 33 H PHE 33 -11.055 -0.394 4.770 258 HA PHE 33 HA PHE 33 -13.643 -1.240 4.411 259 HB2 PHE 33 1HB PHE 33 -11.399 0.012 2.889 260 HB3 PHE 33 2HB PHE 33 -12.527 -0.827 1.842 261 HD1 PHE 33 1HD PHE 33 -15.002 -0.205 2.016 262 HD2 PHE 33 2HD PHE 33 -11.903 2.149 3.710 263 HE1 PHE 33 1HE PHE 33 -16.546 1.772 2.093 264 HE2 PHE 33 2HE PHE 33 -13.448 4.126 3.787 265 HZ PHE 33 HZ PHE 33 -15.751 3.914 2.977 266 H LYS 34 H LYS 34 -13.896 -2.232 1.791 267 HA LYS 34 HA LYS 34 -12.476 -4.780 1.827 268 HB2 LYS 34 1HB LYS 34 -15.451 -4.400 2.061 269 HB3 LYS 34 2HB LYS 34 -14.813 -5.802 1.226 270 HG2 LYS 34 1HG LYS 34 -13.941 -6.739 3.156 271 HG3 LYS 34 2HG LYS 34 -13.531 -5.187 3.859 272 HD2 LYS 34 1HD LYS 34 -15.811 -4.781 4.550 273 HD3 LYS 34 2HD LYS 34 -16.425 -6.087 3.557 274 HE2 LYS 34 1HE LYS 34 -15.903 -7.695 5.113 275 HE3 LYS 34 2HE LYS 34 -14.361 -6.961 5.504 276 HZ1 LYS 34 2HZ LYS 34 -15.529 -5.325 6.865 277 HZ3 LYS 34 1HZ LYS 34 -15.951 -6.818 7.360 278 H THR 35 H THR 35 -13.644 -5.996 -0.348 279 HA THR 35 HA THR 35 -12.606 -4.397 -2.471 280 HB THR 35 HB THR 35 -14.187 -7.010 -2.617 281 HG1 THR 35 1HG THR 35 -12.503 -7.658 -1.327 282 HG21 THR 35 3HG2 THR 35 -12.053 -5.633 -4.302 283 HG22 THR 35 1HG2 THR 35 -12.262 -7.400 -4.355 284 HG23 THR 35 2HG2 THR 35 -13.600 -6.330 -4.839 285 H GLY 36 H GLY 36 -13.825 -3.993 -4.528 286 HA2 GLY 36 1HA GLY 36 -15.509 -2.981 -5.616 287 HA3 GLY 36 2HA GLY 36 -16.620 -3.885 -4.607 288 H ASP 37 H ASP 37 -14.346 -1.989 -2.791 289 HA ASP 37 HA ASP 37 -16.437 0.007 -2.414 290 HB2 ASP 37 1HB ASP 37 -14.887 -1.608 -0.555 291 HB3 ASP 37 2HB ASP 37 -14.537 0.084 -0.267 292 HD2 ASP 37 HD ASP 37 -16.628 1.413 0.128 293 H VAL 38 H VAL 38 -14.924 1.932 -0.986 294 HA VAL 38 HA VAL 38 -12.961 2.714 -3.019 295 HB VAL 38 HB VAL 38 -15.083 4.071 -1.566 296 HG11 VAL 38 1HG1 VAL 38 -12.336 5.366 -1.578 297 HG12 VAL 38 2HG1 VAL 38 -13.866 6.201 -1.214 298 HG13 VAL 38 3HG1 VAL 38 -13.286 4.898 -0.148 299 HG21 VAL 38 3HG2 VAL 38 -14.850 5.680 -3.415 300 HG22 VAL 38 1HG2 VAL 38 -13.354 4.866 -3.933 301 HG23 VAL 38 2HG2 VAL 38 -14.909 4.002 -4.007 302 H LEU 39 H LEU 39 -10.869 3.383 -2.402 303 HA LEU 39 HA LEU 39 -10.235 2.895 0.423 304 HB2 LEU 39 1HB LEU 39 -8.939 1.845 -2.060 305 HB3 LEU 39 2HB LEU 39 -7.950 2.170 -0.651 306 HG LEU 39 HG LEU 39 -10.403 0.408 -0.528 307 HD11 LEU 39 1HD1 LEU 39 -7.548 -0.481 -1.020 308 HD12 LEU 39 2HD1 LEU 39 -8.964 -1.533 -0.781 309 HD13 LEU 39 3HD1 LEU 39 -8.861 -0.492 -2.221 310 HD21 LEU 39 3HD2 LEU 39 -9.611 -0.323 1.549 311 HD22 LEU 39 1HD2 LEU 39 -7.980 0.332 1.266 312 HD23 LEU 39 2HD2 LEU 39 -9.343 1.436 1.568 313 H ARG 40 H ARG 40 -9.943 4.915 1.241 314 HA ARG 40 HA ARG 40 -9.174 7.065 -0.305 315 HB2 ARG 40 1HB ARG 40 -9.919 6.567 2.408 316 HB3 ARG 40 2HB ARG 40 -8.376 7.393 2.490 317 HG2 ARG 40 1HG ARG 40 -9.472 9.344 2.125 318 HG3 ARG 40 2HG ARG 40 -9.811 8.794 0.496 319 HD2 ARG 40 1HD ARG 40 -11.847 7.532 1.524 320 HD3 ARG 40 2HD ARG 40 -11.570 8.489 2.965 321 HE ARG 40 HE ARG 40 -11.600 10.303 0.790 322 HH11 ARG 40 2HH2 ARG 40 -13.856 8.075 2.371 323 HH12 ARG 40 1HH2 ARG 40 -15.259 9.001 1.951 324 HH21 ARG 40 1HH ARG 40 -14.996 11.025 0.695 325 H VAL 41 H VAL 41 -7.182 7.595 -1.150 326 HA VAL 41 HA VAL 41 -4.855 6.238 -0.010 327 HB VAL 41 HB VAL 41 -5.476 6.003 -2.434 328 HG11 VAL 41 1HG1 VAL 41 -4.233 8.539 -3.206 329 HG12 VAL 41 2HG1 VAL 41 -5.711 7.754 -3.814 330 HG13 VAL 41 3HG1 VAL 41 -5.776 8.758 -2.346 331 HG21 VAL 41 3HG2 VAL 41 -2.833 6.821 -1.350 332 HG22 VAL 41 1HG2 VAL 41 -3.322 5.329 -2.189 333 HG23 VAL 41 2HG2 VAL 41 -2.991 6.808 -3.123 334 H GLY 42 H GLY 42 -2.956 7.421 0.567 335 HA2 GLY 42 1HA GLY 42 -2.804 10.248 0.347 336 HA3 GLY 42 2HA GLY 42 -3.367 9.789 1.941 337 H ARG 43 H ARG 43 -0.752 11.011 1.032 338 HA ARG 43 HA ARG 43 1.158 8.949 1.314 339 HB2 ARG 43 1HB ARG 43 1.126 11.706 0.526 340 HB3 ARG 43 2HB ARG 43 2.241 11.597 1.874 341 HG2 ARG 43 1HG ARG 43 3.556 9.878 0.757 342 HG3 ARG 43 2HG ARG 43 2.349 9.683 -0.498 343 HD2 ARG 43 1HD ARG 43 3.517 12.437 -0.111 344 HD3 ARG 43 2HD ARG 43 4.538 11.222 -0.854 345 HE ARG 43 HE ARG 43 1.978 11.120 -2.120 346 HH11 ARG 43 2HH2 ARG 43 4.775 13.281 -1.882 347 HH12 ARG 43 1HH2 ARG 43 4.510 13.999 -3.436 348 HH21 ARG 43 1HH ARG 43 2.654 13.268 -4.764 349 H PHE 44 H PHE 44 2.303 8.319 3.179 350 HA PHE 44 HA PHE 44 1.134 8.989 5.665 351 HB2 PHE 44 1HB PHE 44 2.505 6.880 4.646 352 HB3 PHE 44 2HB PHE 44 3.890 7.747 5.279 353 HD1 PHE 44 1HD PHE 44 0.455 6.920 6.516 354 HD2 PHE 44 2HD PHE 44 4.624 6.964 7.307 355 HE1 PHE 44 1HE PHE 44 0.035 5.934 8.786 356 HE2 PHE 44 2HE PHE 44 4.204 5.978 9.576 357 HZ PHE 44 HZ PHE 44 1.914 5.475 10.289 358 H GLU 45 H GLU 45 3.911 10.170 3.791 359 HA GLU 45 HA GLU 45 5.481 11.197 5.725 360 HB2 GLU 45 1HB GLU 45 4.839 11.961 2.902 361 HB3 GLU 45 2HB GLU 45 5.695 13.159 3.852 362 HG2 GLU 45 1HG GLU 45 7.202 11.037 4.535 363 HG3 GLU 45 2HG GLU 45 6.589 10.399 3.022 364 HE2 GLU 45 HE GLU 45 9.517 11.461 2.431 365 H ASP 46 H ASP 46 2.542 12.714 4.246 366 HA ASP 46 HA ASP 46 1.569 13.805 6.480 367 HB2 ASP 46 1HB ASP 46 2.335 16.329 5.885 368 HB3 ASP 46 2HB ASP 46 3.189 15.339 7.051 369 HD2 ASP 46 HD ASP 46 5.400 17.050 5.275 370 H ASP 47 H ASP 47 0.664 12.724 4.024 371 HA ASP 47 HA ASP 47 -0.800 15.000 2.990 372 HB2 ASP 47 1HB ASP 47 1.176 13.430 1.539 373 HB3 ASP 47 2HB ASP 47 -0.401 13.171 0.820 374 HD2 ASP 47 HD ASP 47 0.587 15.939 -1.044 375 H GLY 48 H GLY 48 -1.043 12.393 4.770 376 HA2 GLY 48 1HA GLY 48 -2.418 10.341 3.744 377 HA3 GLY 48 2HA GLY 48 -2.826 11.083 5.278 378 H TYR 49 H TYR 49 -4.709 9.805 3.464 379 HA TYR 49 HA TYR 49 -6.557 10.188 2.242 380 HB2 TYR 49 1HB TYR 49 -7.273 10.601 4.572 381 HB3 TYR 49 2HB TYR 49 -6.551 12.198 4.567 382 HD1 TYR 49 1HD TYR 49 -8.384 11.243 1.574 383 HD2 TYR 49 2HD TYR 49 -8.741 13.043 5.439 384 HE1 TYR 49 1HE TYR 49 -10.618 12.255 0.904 385 HE2 TYR 49 2HE TYR 49 -10.974 14.049 4.756 386 HH TYR 49 HH TYR 49 -12.759 13.008 2.355 387 H PHE 50 H PHE 50 -4.965 11.138 0.496 388 HA PHE 50 HA PHE 50 -5.450 13.989 0.138 389 HB2 PHE 50 1HB PHE 50 -3.253 12.281 -0.194 390 HB3 PHE 50 2HB PHE 50 -3.877 12.352 -1.830 391 HD1 PHE 50 1HD PHE 50 -3.651 14.970 0.824 392 HD2 PHE 50 2HD PHE 50 -2.475 13.716 -3.056 393 HE1 PHE 50 1HE PHE 50 -2.479 17.161 0.470 394 HE2 PHE 50 2HE PHE 50 -1.304 15.907 -3.410 395 HZ PHE 50 HZ PHE 50 -1.320 17.604 -1.642 396 H CYS 51 H CYS 51 -5.898 10.790 -1.481 397 HA CYS 51 HA CYS 51 -8.006 12.047 -3.053 398 HB2 CYS 51 1HB CYS 51 -6.137 10.078 -4.369 399 HB3 CYS 51 2HB CYS 51 -7.285 11.172 -5.114 400 HG CYS 51 HG CYS 51 -6.032 13.367 -4.044 401 H THR 52 H THR 52 -9.229 10.049 -4.245 402 HA THR 52 HA THR 52 -9.389 7.866 -2.272 403 HB THR 52 HB THR 52 -11.775 8.811 -3.879 404 HG1 THR 52 1HG THR 52 -12.036 10.405 -2.112 405 HG21 THR 52 3HG2 THR 52 -11.285 7.052 -1.641 406 HG22 THR 52 1HG2 THR 52 -12.201 8.456 -1.042 407 HG23 THR 52 2HG2 THR 52 -12.851 7.472 -2.376 408 H ILE 53 H ILE 53 -9.624 5.769 -3.020 409 HA ILE 53 HA ILE 53 -9.569 5.485 -5.937 410 HB ILE 53 HB ILE 53 -7.803 3.937 -5.866 411 HG12 ILE 53 1HG1 ILE 53 -7.040 3.992 -3.068 412 HG13 ILE 53 2HG1 ILE 53 -8.678 3.393 -3.247 413 HG21 ILE 53 1HG2 ILE 53 -7.095 6.266 -4.060 414 HG22 ILE 53 2HG2 ILE 53 -5.939 5.249 -4.954 415 HG23 ILE 53 3HG2 ILE 53 -7.099 6.268 -5.840 416 HD11 ILE 53 3HD1 ILE 53 -7.472 2.056 -5.308 417 HD12 ILE 53 1HD1 ILE 53 -6.108 2.198 -4.174 418 HD13 ILE 53 2HD1 ILE 53 -7.613 1.401 -3.659 419 H GLU 54 H GLU 54 -9.918 2.995 -6.464 420 HA GLU 54 HA GLU 54 -11.944 2.043 -4.594 421 HB2 GLU 54 1HB GLU 54 -12.196 2.738 -7.430 422 HB3 GLU 54 2HB GLU 54 -12.662 1.073 -7.146 423 HG2 GLU 54 1HG GLU 54 -14.269 1.749 -5.419 424 HG3 GLU 54 2HG GLU 54 -13.709 3.408 -5.481 425 HE2 GLU 54 HE GLU 54 -16.744 2.752 -7.385 426 H VAL 55 H VAL 55 -12.042 -0.235 -4.263 427 HA VAL 55 HA VAL 55 -9.584 -1.578 -4.790 428 HB VAL 55 HB VAL 55 -11.957 -3.060 -3.813 429 HG11 VAL 55 1HG1 VAL 55 -10.299 -3.775 -2.084 430 HG12 VAL 55 2HG1 VAL 55 -9.790 -4.121 -3.754 431 HG13 VAL 55 3HG1 VAL 55 -9.087 -2.740 -2.877 432 HG21 VAL 55 3HG2 VAL 55 -12.608 -1.172 -2.655 433 HG22 VAL 55 1HG2 VAL 55 -11.463 -1.896 -1.500 434 HG23 VAL 55 2HG2 VAL 55 -10.948 -0.540 -2.532 435 H THR 56 H THR 56 -9.495 -3.778 -5.829 436 HA THR 56 HA THR 56 -11.493 -4.046 -7.966 437 HB THR 56 HB THR 56 -9.343 -2.836 -8.704 438 HG1 THR 56 1HG THR 56 -10.729 -4.112 -10.141 439 HG21 THR 56 3HG2 THR 56 -8.213 -5.655 -8.288 440 HG22 THR 56 1HG2 THR 56 -7.391 -4.321 -9.132 441 HG23 THR 56 2HG2 THR 56 -7.704 -4.209 -7.383 442 H ALA 57 H ALA 57 -8.899 -5.529 -5.967 443 HA ALA 57 HA ALA 57 -10.470 -7.941 -5.862 444 HB1 ALA 57 3HB ALA 57 -9.385 -8.813 -7.669 445 HB2 ALA 57 1HB ALA 57 -8.034 -7.661 -7.545 446 HB3 ALA 57 2HB ALA 57 -8.082 -9.094 -6.490 447 H THR 58 H THR 58 -9.268 -9.580 -4.357 448 HA THR 58 HA THR 58 -7.424 -8.265 -2.534 449 HB THR 58 HB THR 58 -10.287 -9.073 -1.887 450 HG1 THR 58 1HG THR 58 -10.105 -6.852 -2.002 451 HG21 THR 58 3HG2 THR 58 -7.847 -9.274 -0.161 452 HG22 THR 58 1HG2 THR 58 -9.201 -8.350 0.532 453 HG23 THR 58 2HG2 THR 58 -9.439 -10.044 0.041 454 H SER 59 H SER 59 -6.265 -9.727 -1.173 455 HA SER 59 HA SER 59 -6.808 -12.506 -1.482 456 HB2 SER 59 1HB SER 59 -4.065 -12.393 -2.183 457 HB3 SER 59 2HB SER 59 -5.395 -12.930 -3.189 458 HG SER 59 HG SER 59 -5.677 -10.736 -3.931 459 H THR 60 H THR 60 -4.960 -13.802 -0.253 460 HA THR 60 HA THR 60 -4.086 -12.134 2.014 461 HB THR 60 HB THR 60 -4.275 -14.652 3.053 462 HG1 THR 60 1HG THR 60 -5.808 -15.785 1.839 463 HG21 THR 60 3HG2 THR 60 -5.658 -12.383 3.527 464 HG22 THR 60 1HG2 THR 60 -6.915 -13.251 2.614 465 HG23 THR 60 2HG2 THR 60 -6.251 -13.957 4.107 466 H VAL 61 H VAL 61 -1.973 -11.711 1.825 467 HA VAL 61 HA VAL 61 -0.186 -13.951 1.662 468 HB VAL 61 HB VAL 61 0.536 -11.930 -0.335 469 HG11 VAL 61 1HG1 VAL 61 0.329 -14.749 -1.140 470 HG12 VAL 61 2HG1 VAL 61 1.722 -13.641 -1.181 471 HG13 VAL 61 3HG1 VAL 61 1.306 -14.493 0.326 472 HG21 VAL 61 3HG2 VAL 61 -1.792 -13.782 -0.944 473 HG22 VAL 61 1HG2 VAL 61 -1.927 -12.026 -0.682 474 HG23 VAL 61 2HG2 VAL 61 -0.999 -12.651 -2.067 475 H THR 62 H THR 62 2.200 -12.996 1.716 476 HA THR 62 HA THR 62 2.256 -11.266 3.975 477 HB THR 62 HB THR 62 4.672 -11.931 2.276 478 HG1 THR 62 1HG THR 62 4.435 -14.116 3.286 479 HG21 THR 62 3HG2 THR 62 4.614 -12.801 5.078 480 HG22 THR 62 1HG2 THR 62 5.758 -11.697 4.277 481 HG23 THR 62 2HG2 THR 62 4.234 -11.067 4.946 482 H LEU 63 H LEU 63 4.706 -9.804 3.157 483 HA LEU 63 HA LEU 63 3.298 -7.670 1.735 484 HB2 LEU 63 1HB LEU 63 5.203 -6.280 2.659 485 HB3 LEU 63 2HB LEU 63 3.998 -6.868 3.787 486 HG LEU 63 HG LEU 63 6.082 -8.809 3.701 487 HD11 LEU 63 1HD1 LEU 63 7.137 -6.000 4.124 488 HD12 LEU 63 2HD1 LEU 63 8.029 -7.518 4.384 489 HD13 LEU 63 3HD1 LEU 63 7.512 -7.059 2.744 490 HD21 LEU 63 3HD2 LEU 63 6.200 -7.195 6.065 491 HD22 LEU 63 1HD2 LEU 63 4.499 -7.402 5.582 492 HD23 LEU 63 2HD2 LEU 63 5.530 -8.829 5.847 493 H ASP 64 H ASP 64 6.770 -8.697 2.015 494 HA ASP 64 HA ASP 64 7.479 -7.726 -0.429 495 HB2 ASP 64 1HB ASP 64 8.790 -8.924 1.630 496 HB3 ASP 64 2HB ASP 64 8.768 -10.275 0.514 497 HD2 ASP 64 HD ASP 64 10.544 -9.178 -1.841 498 H THR 65 H THR 65 5.394 -10.342 0.340 499 HA THR 65 HA THR 65 6.053 -12.143 -1.751 500 HB THR 65 HB THR 65 3.558 -12.842 -1.130 501 HG1 THR 65 1HG THR 65 2.768 -11.247 0.190 502 HG21 THR 65 3HG2 THR 65 4.337 -13.737 1.113 503 HG22 THR 65 1HG2 THR 65 5.460 -14.116 -0.215 504 HG23 THR 65 2HG2 THR 65 5.834 -12.795 0.919 505 H LEU 66 H LEU 66 4.837 -8.988 -1.846 506 HA LEU 66 HA LEU 66 4.358 -9.161 -4.608 507 HB2 LEU 66 1HB LEU 66 1.945 -8.570 -4.573 508 HB3 LEU 66 2HB LEU 66 2.315 -10.227 -4.142 509 HG LEU 66 HG LEU 66 2.252 -8.972 -1.678 510 HD11 LEU 66 1HD1 LEU 66 0.689 -7.340 -1.543 511 HD12 LEU 66 2HD1 LEU 66 1.212 -7.039 -3.218 512 HD13 LEU 66 3HD1 LEU 66 -0.266 -7.979 -2.902 513 HD21 LEU 66 3HD2 LEU 66 1.330 -11.154 -2.142 514 HD22 LEU 66 1HD2 LEU 66 0.079 -10.129 -1.400 515 HD23 LEU 66 2HD2 LEU 66 0.049 -10.441 -3.152 516 H THR 67 H THR 67 3.827 -7.478 -1.479 517 HA THR 67 HA THR 67 3.387 -4.930 -2.266 518 HB THR 67 HB THR 67 3.848 -6.139 0.086 519 HG1 THR 67 1HG THR 67 4.287 -3.788 0.784 520 HG21 THR 67 3HG2 THR 67 6.506 -5.784 -0.814 521 HG22 THR 67 1HG2 THR 67 6.217 -4.400 0.268 522 HG23 THR 67 2HG2 THR 67 5.999 -6.061 0.870 523 H GLU 68 H GLU 68 4.696 -3.041 -2.658 524 HA GLU 68 HA GLU 68 6.388 -3.328 -4.730 525 HB2 GLU 68 1HB GLU 68 5.802 -1.188 -2.748 526 HB3 GLU 68 2HB GLU 68 7.337 -1.010 -3.575 527 HG2 GLU 68 1HG GLU 68 5.451 -1.767 -5.582 528 HG3 GLU 68 2HG GLU 68 4.645 -0.562 -4.598 529 HE2 GLU 68 HE GLU 68 5.120 1.496 -5.421 530 H LYS 69 H LYS 69 7.031 -3.913 -1.334 531 HA LYS 69 HA LYS 69 9.709 -3.439 -1.116 532 HB2 LYS 69 1HB LYS 69 8.112 -4.196 0.671 533 HB3 LYS 69 2HB LYS 69 8.234 -5.824 0.035 534 HG2 LYS 69 1HG LYS 69 10.855 -5.409 0.261 535 HG3 LYS 69 2HG LYS 69 10.369 -4.154 1.383 536 HD2 LYS 69 1HD LYS 69 9.123 -5.791 2.747 537 HD3 LYS 69 2HD LYS 69 9.447 -7.059 1.582 538 HE2 LYS 69 1HE LYS 69 11.931 -6.734 1.998 539 HE3 LYS 69 2HE LYS 69 11.534 -5.574 3.250 540 HZ1 LYS 69 2HZ LYS 69 11.627 -7.495 4.484 541 HZ3 LYS 69 1HZ LYS 69 11.152 -8.475 3.273 542 H HIS 70 H HIS 70 8.013 -5.946 -2.967 543 HA HIS 70 HA HIS 70 10.284 -7.587 -3.318 544 HB2 HIS 70 1HB HIS 70 8.367 -8.767 -3.678 545 HB3 HIS 70 2HB HIS 70 7.522 -7.413 -4.402 546 HD1 HIS 70 1HD HIS 70 8.383 -6.791 -6.962 547 HD2 HIS 70 2HD HIS 70 9.280 -10.615 -5.488 548 HE1 HIS 70 1HE HIS 70 8.937 -8.230 -8.995 549 H ALA 71 H ALA 71 8.609 -5.167 -5.451 550 HA ALA 71 HA ALA 71 10.409 -5.318 -7.549 551 HB1 ALA 71 3HB ALA 71 9.480 -3.101 -8.161 552 HB2 ALA 71 1HB ALA 71 8.203 -4.239 -7.668 553 HB3 ALA 71 2HB ALA 71 8.748 -2.971 -6.544 554 H GLU 72 H GLU 72 10.521 -3.542 -4.442 555 HA GLU 72 HA GLU 72 12.734 -1.975 -5.205 556 HB2 GLU 72 1HB GLU 72 10.901 -1.922 -3.139 557 HB3 GLU 72 2HB GLU 72 12.332 -2.496 -2.306 558 HG2 GLU 72 1HG GLU 72 13.522 -0.526 -2.676 559 HG3 GLU 72 2HG GLU 72 12.709 -0.186 -4.191 560 HE2 GLU 72 HE GLU 72 11.523 2.263 -2.839 561 H GLN 73 H GLN 73 12.285 -5.036 -3.339 562 HA GLN 73 HA GLN 73 14.811 -5.363 -2.427 563 HB2 GLN 73 1HB GLN 73 12.476 -6.924 -2.636 564 HB3 GLN 73 2HB GLN 73 13.701 -7.885 -3.440 565 HG2 GLN 73 1HG GLN 73 14.885 -6.779 -1.052 566 HG3 GLN 73 2HG GLN 73 13.332 -7.458 -0.608 567 HE21 GLN 73 2HE2 GLN 73 16.339 -9.847 -2.174 568 HE22 GLN 73 1HE2 GLN 73 16.265 -8.145 -2.485 569 H GLU 74 H GLU 74 13.526 -5.888 -5.726 570 HA GLU 74 HA GLU 74 16.130 -6.869 -6.535 571 HB2 GLU 74 1HB GLU 74 13.403 -7.344 -7.390 572 HB3 GLU 74 2HB GLU 74 14.328 -6.749 -8.755 573 HG2 GLU 74 1HG GLU 74 15.543 -8.891 -6.997 574 HG3 GLU 74 2HG GLU 74 14.304 -9.350 -8.149 575 HE2 GLU 74 HE GLU 74 17.948 -8.532 -9.453 576 H ASN 75 H ASN 75 15.645 -4.041 -5.711 577 HA ASN 75 HA ASN 75 16.655 -2.868 -8.142 578 HB2 ASN 75 1HB ASN 75 14.001 -2.315 -7.037 579 HB3 ASN 75 2HB ASN 75 14.979 -0.863 -6.968 580 HD21 ASN 75 2HD2 ASN 75 14.335 -0.091 -10.267 581 HD22 ASN 75 1HD2 ASN 75 14.503 0.378 -8.608 582 H MET 76 H MET 76 15.453 -1.996 -4.802 583 HA MET 76 HA MET 76 17.816 -0.392 -4.427 584 HB2 MET 76 1HB MET 76 15.471 -0.924 -2.521 585 HB3 MET 76 2HB MET 76 16.628 0.387 -2.394 586 HG2 MET 76 1HG MET 76 14.650 -0.002 -4.694 587 HG3 MET 76 2HG MET 76 14.471 1.156 -3.390 588 HE1 MET 76 3HE MET 76 15.399 2.860 -6.870 589 HE2 MET 76 1HE MET 76 15.692 1.123 -7.125 590 HE3 MET 76 2HE MET 76 14.244 1.661 -6.240 591 H THR 77 H THR 77 18.606 -0.523 -1.900 592 HA THR 77 HA THR 77 19.536 -3.270 -1.633 593 HB THR 77 HB THR 77 21.156 -1.370 -1.629 594 HG1 THR 77 1HG THR 77 22.188 -2.401 0.080 595 HG21 THR 77 3HG2 THR 77 21.216 0.145 0.345 596 HG22 THR 77 1HG2 THR 77 19.700 0.377 -0.559 597 HG23 THR 77 2HG2 THR 77 19.701 -0.571 0.947 598 H LEU 78 H LEU 78 19.986 -3.649 0.990 599 HA LEU 78 HA LEU 78 17.405 -4.304 1.912 600 HB2 LEU 78 1HB LEU 78 20.198 -4.673 2.755 601 HB3 LEU 78 2HB LEU 78 19.048 -4.593 4.075 602 HG LEU 78 HG LEU 78 17.707 -6.380 2.797 603 HD11 LEU 78 1HD1 LEU 78 20.288 -7.177 1.523 604 HD12 LEU 78 2HD1 LEU 78 18.611 -7.543 1.052 605 HD13 LEU 78 3HD1 LEU 78 19.295 -5.932 0.727 606 HD21 LEU 78 3HD2 LEU 78 19.669 -6.518 4.746 607 HD22 LEU 78 1HD2 LEU 78 18.531 -7.810 4.292 608 HD23 LEU 78 2HD2 LEU 78 20.157 -7.761 3.569 609 H THR 79 H THR 79 19.723 -1.653 2.595 610 HA THR 79 HA THR 79 18.472 -0.614 4.850 611 HB THR 79 HB THR 79 20.060 0.703 2.584 612 HG1 THR 79 1HG THR 79 21.226 -0.928 3.738 613 HG21 THR 79 3HG2 THR 79 20.207 1.727 5.384 614 HG22 THR 79 1HG2 THR 79 20.221 2.629 3.850 615 HG23 THR 79 2HG2 THR 79 18.677 2.082 4.546 616 H GLU 80 H GLU 80 17.956 0.241 1.364 617 HA GLU 80 HA GLU 80 15.997 2.106 1.888 618 HB2 GLU 80 1HB GLU 80 17.102 0.715 -0.430 619 HB3 GLU 80 2HB GLU 80 15.372 0.922 -0.611 620 HG2 GLU 80 1HG GLU 80 15.676 3.380 0.002 621 HG3 GLU 80 2HG GLU 80 17.409 3.121 -0.028 622 HE2 GLU 80 HE GLU 80 17.851 2.065 -2.860 623 H LEU 81 H LEU 81 15.803 -1.450 1.308 624 HA LEU 81 HA LEU 81 13.030 -1.622 1.187 625 HB2 LEU 81 1HB LEU 81 15.234 -3.533 1.893 626 HB3 LEU 81 2HB LEU 81 13.556 -4.018 2.038 627 HG LEU 81 HG LEU 81 15.081 -4.324 -0.192 628 HD11 LEU 81 1HD1 LEU 81 12.817 -5.297 0.454 629 HD12 LEU 81 2HD1 LEU 81 12.098 -3.893 -0.371 630 HD13 LEU 81 3HD1 LEU 81 13.118 -5.033 -1.281 631 HD21 LEU 81 3HD2 LEU 81 14.445 -2.749 -1.891 632 HD22 LEU 81 1HD2 LEU 81 13.400 -1.867 -0.751 633 HD23 LEU 81 2HD2 LEU 81 15.166 -1.859 -0.528 634 H LYS 82 H LYS 82 15.315 -1.493 3.947 635 HA LYS 82 HA LYS 82 13.309 -2.091 5.872 636 HB2 LYS 82 1HB LYS 82 16.047 -2.096 5.845 637 HB3 LYS 82 2HB LYS 82 15.722 -0.629 6.746 638 HG2 LYS 82 1HG LYS 82 15.494 -2.026 8.542 639 HG3 LYS 82 2HG LYS 82 13.893 -2.334 7.900 640 HD2 LYS 82 1HD LYS 82 14.730 -4.301 6.651 641 HD3 LYS 82 2HD LYS 82 16.371 -3.964 7.166 642 HE2 LYS 82 1HE LYS 82 15.994 -4.696 9.352 643 HE3 LYS 82 2HE LYS 82 14.301 -4.242 9.332 644 HZ1 LYS 82 2HZ LYS 82 14.574 -6.659 9.233 645 HZ3 LYS 82 1HZ LYS 82 15.441 -6.558 7.859 646 H LYS 83 H LYS 83 14.456 0.798 4.182 647 HA LYS 83 HA LYS 83 13.410 2.661 6.030 648 HB2 LYS 83 1HB LYS 83 15.012 2.727 3.748 649 HB3 LYS 83 2HB LYS 83 13.560 3.578 3.262 650 HG2 LYS 83 1HG LYS 83 13.742 4.927 5.439 651 HG3 LYS 83 2HG LYS 83 15.312 4.188 5.685 652 HD2 LYS 83 1HD LYS 83 15.358 5.112 3.002 653 HD3 LYS 83 2HD LYS 83 14.564 6.390 3.902 654 HE2 LYS 83 1HE LYS 83 16.949 5.275 5.280 655 HE3 LYS 83 2HE LYS 83 17.317 6.019 3.736 656 HZ1 LYS 83 2HZ LYS 83 15.508 7.559 5.397 657 HZ3 LYS 83 1HZ LYS 83 16.801 8.064 4.545 658 H VAL 84 H VAL 84 12.183 1.329 2.884 659 HA VAL 84 HA VAL 84 9.737 2.690 3.020 660 HB VAL 84 HB VAL 84 9.085 1.293 1.211 661 HG11 VAL 84 1HG1 VAL 84 11.606 1.190 0.068 662 HG12 VAL 84 2HG1 VAL 84 10.511 2.593 0.069 663 HG13 VAL 84 3HG1 VAL 84 11.775 2.450 1.314 664 HG21 VAL 84 3HG2 VAL 84 9.664 -0.885 2.211 665 HG22 VAL 84 1HG2 VAL 84 10.283 -0.735 0.548 666 HG23 VAL 84 2HG2 VAL 84 11.390 -0.551 1.930 667 H ILE 85 H ILE 85 10.808 -0.576 4.123 668 HA ILE 85 HA ILE 85 8.309 -1.509 4.880 669 HB ILE 85 HB ILE 85 11.132 -2.116 5.662 670 HG12 ILE 85 1HG1 ILE 85 9.901 -2.845 3.486 671 HG13 ILE 85 2HG1 ILE 85 10.891 -3.999 4.356 672 HG21 ILE 85 1HG2 ILE 85 10.294 -2.621 7.729 673 HG22 ILE 85 2HG2 ILE 85 8.659 -2.960 7.113 674 HG23 ILE 85 3HG2 ILE 85 9.962 -4.149 6.878 675 HD11 ILE 85 3HD1 ILE 85 9.108 -5.337 4.780 676 HD12 ILE 85 1HD1 ILE 85 8.156 -3.971 5.410 677 HD13 ILE 85 2HD1 ILE 85 8.181 -4.307 3.662 678 H ALA 86 H ALA 86 10.689 0.580 6.578 679 HA ALA 86 HA ALA 86 9.220 0.572 9.016 680 HB1 ALA 86 3HB ALA 86 11.390 2.420 7.942 681 HB2 ALA 86 1HB ALA 86 10.822 2.361 9.628 682 HB3 ALA 86 2HB ALA 86 11.648 0.953 8.917 683 H ASP 87 H ASP 87 9.078 2.313 5.953 684 HA ASP 87 HA ASP 87 7.657 4.510 7.049 685 HB2 ASP 87 1HB ASP 87 8.966 3.896 4.618 686 HB3 ASP 87 2HB ASP 87 7.278 4.040 4.170 687 HD2 ASP 87 HD ASP 87 9.399 7.256 5.103 688 H ILE 88 H ILE 88 6.985 1.305 5.681 689 HA ILE 88 HA ILE 88 4.178 1.901 5.286 690 HB ILE 88 HB ILE 88 5.831 0.382 3.882 691 HG12 ILE 88 1HG1 ILE 88 3.079 -0.742 4.188 692 HG13 ILE 88 2HG1 ILE 88 3.226 0.949 3.752 693 HG21 ILE 88 1HG2 ILE 88 5.396 -2.024 4.410 694 HG22 ILE 88 2HG2 ILE 88 6.434 -1.183 5.586 695 HG23 ILE 88 3HG2 ILE 88 4.728 -1.505 5.976 696 HD11 ILE 88 3HD1 ILE 88 3.899 -1.479 2.172 697 HD12 ILE 88 1HD1 ILE 88 3.394 0.135 1.618 698 HD13 ILE 88 2HD1 ILE 88 5.092 -0.162 2.062 699 H TYR 89 H TYR 89 6.178 -0.434 7.228 700 HA TYR 89 HA TYR 89 5.142 0.004 9.659 701 HB2 TYR 89 1HB TYR 89 3.273 -1.785 9.709 702 HB3 TYR 89 2HB TYR 89 2.868 -0.357 8.777 703 HD1 TYR 89 1HD TYR 89 4.421 -3.742 8.296 704 HD2 TYR 89 2HD TYR 89 1.981 -0.638 6.646 705 HE1 TYR 89 1HE TYR 89 3.930 -5.196 6.269 706 HE2 TYR 89 2HE TYR 89 1.498 -2.103 4.625 707 HH TYR 89 HH TYR 89 2.804 -5.401 4.435 708 HA PRO 90 HA PRO 90 7.755 -3.378 10.335 709 HB2 PRO 90 2HB PRO 90 8.367 -2.583 12.407 710 HB3 PRO 90 1HB PRO 90 7.319 -3.860 12.989 711 HG2 PRO 90 1HG PRO 90 5.649 -2.373 13.549 712 HG3 PRO 90 2HG PRO 90 6.860 -1.120 13.362 713 HD2 PRO 90 1HD PRO 90 4.533 -1.513 11.732 714 HD3 PRO 90 2HD PRO 90 5.804 -0.335 11.476 715 H GLY 91 H GLY 91 7.922 -5.684 11.235 716 HA2 GLY 91 1HA GLY 91 6.894 -7.710 11.606 717 HA3 GLY 91 2HA GLY 91 5.329 -7.007 11.252 718 H GLN 92 H GLN 92 7.591 -9.176 10.121 719 HA GLN 92 HA GLN 92 6.800 -8.666 7.358 720 HB2 GLN 92 1HB GLN 92 9.342 -8.634 8.163 721 HB3 GLN 92 2HB GLN 92 9.188 -10.376 8.057 722 HG2 GLN 92 1HG GLN 92 8.035 -9.037 5.700 723 HG3 GLN 92 2HG GLN 92 9.720 -8.613 5.926 724 HE21 GLN 92 2HE2 GLN 92 11.065 -11.710 5.068 725 HE22 GLN 92 1HE2 GLN 92 11.310 -10.108 5.680 726 H THR 93 H THR 93 4.859 -9.894 8.717 727 HA THR 93 HA THR 93 5.219 -12.745 8.064 728 HB THR 93 HB THR 93 3.866 -13.261 10.042 729 HG1 THR 93 1HG THR 93 3.852 -10.345 10.357 730 HG21 THR 93 3HG2 THR 93 5.978 -11.121 10.610 731 HG22 THR 93 1HG2 THR 93 5.141 -12.022 11.897 732 HG23 THR 93 2HG2 THR 93 6.175 -12.886 10.734 733 H GLN 94 H GLN 94 3.347 -13.871 7.275 734 HA GLN 94 HA GLN 94 2.108 -12.750 5.243 735 HB2 GLN 94 1HB GLN 94 1.132 -14.870 7.177 736 HB3 GLN 94 2HB GLN 94 0.144 -14.406 5.806 737 HG2 GLN 94 1HG GLN 94 1.515 -15.451 4.297 738 HG3 GLN 94 2HG GLN 94 2.976 -14.879 5.078 739 HE21 GLN 94 2HE2 GLN 94 2.886 -18.562 5.377 740 HE22 GLN 94 1HE2 GLN 94 2.927 -17.377 4.115 741 H PHE 95 H PHE 95 0.006 -11.770 4.791 742 HA PHE 95 HA PHE 95 -1.606 -10.898 6.977 743 HB2 PHE 95 1HB PHE 95 0.517 -9.218 5.678 744 HB3 PHE 95 2HB PHE 95 -1.051 -8.439 5.747 745 HD1 PHE 95 1HD PHE 95 -2.063 -9.473 8.347 746 HD2 PHE 95 2HD PHE 95 1.780 -8.047 7.249 747 HE1 PHE 95 1HE PHE 95 -1.629 -8.809 10.728 748 HE2 PHE 95 2HE PHE 95 2.214 -7.383 9.630 749 HZ PHE 95 HZ PHE 95 0.504 -7.772 11.341 750 H TYR 96 H TYR 96 -3.184 -9.010 5.925 751 HA TYR 96 HA TYR 96 -4.350 -10.376 3.662 752 HB2 TYR 96 1HB TYR 96 -5.052 -8.613 5.901 753 HB3 TYR 96 2HB TYR 96 -5.618 -7.870 4.418 754 HD1 TYR 96 2HD TYR 96 -7.192 -9.177 2.910 755 HD2 TYR 96 1HD TYR 96 -6.198 -10.459 6.869 756 HE1 TYR 96 2HE TYR 96 -9.235 -10.689 2.941 757 HE2 TYR 96 1HE TYR 96 -8.245 -11.967 6.886 758 HH TYR 96 HH TYR 96 -10.190 -12.399 3.991 759 H VAL 97 H VAL 97 -4.347 -9.695 1.555 760 HA VAL 97 HA VAL 97 -3.105 -7.075 1.065 761 HB VAL 97 HB VAL 97 -2.915 -9.669 -0.473 762 HG11 VAL 97 1HG1 VAL 97 -2.106 -8.611 -2.306 763 HG12 VAL 97 2HG1 VAL 97 -3.069 -7.248 -1.686 764 HG13 VAL 97 3HG1 VAL 97 -1.322 -7.327 -1.354 765 HG21 VAL 97 3HG2 VAL 97 -1.149 -9.987 0.865 766 HG22 VAL 97 1HG2 VAL 97 -0.365 -8.653 -0.015 767 HG23 VAL 97 2HG2 VAL 97 -1.234 -8.328 1.503 768 H ILE 98 H ILE 98 -4.229 -5.634 -0.194 769 HA ILE 98 HA ILE 98 -6.649 -6.682 -1.486 770 HB ILE 98 HB ILE 98 -6.546 -3.947 -0.270 771 HG12 ILE 98 1HG1 ILE 98 -5.929 -5.289 1.599 772 HG13 ILE 98 2HG1 ILE 98 -7.631 -4.906 1.769 773 HG21 ILE 98 1HG2 ILE 98 -8.390 -5.276 -1.842 774 HG22 ILE 98 2HG2 ILE 98 -9.037 -5.472 -0.195 775 HG23 ILE 98 3HG2 ILE 98 -8.701 -3.844 -0.832 776 HD11 ILE 98 3HD1 ILE 98 -7.415 -7.338 0.226 777 HD12 ILE 98 1HD1 ILE 98 -6.410 -7.496 1.686 778 HD13 ILE 98 2HD1 ILE 98 -8.141 -7.108 1.834 779 H GLU 99 H GLU 99 -6.767 -6.257 -3.630 780 HA GLU 99 HA GLU 99 -4.747 -4.463 -4.666 781 HB2 GLU 99 1HB GLU 99 -5.347 -6.945 -5.477 782 HB3 GLU 99 2HB GLU 99 -6.548 -6.106 -6.438 783 HG2 GLU 99 1HG GLU 99 -4.894 -4.827 -7.610 784 HG3 GLU 99 2HG GLU 99 -3.653 -5.178 -6.423 785 HE2 GLU 99 HE GLU 99 -4.677 -6.192 -9.432 786 H PHE 100 H PHE 100 -5.264 -2.730 -6.146 787 HA PHE 100 HA PHE 100 -8.076 -2.132 -6.505 788 HB2 PHE 100 1HB PHE 100 -7.815 0.077 -5.447 789 HB3 PHE 100 2HB PHE 100 -7.239 -1.114 -4.298 790 HD1 PHE 100 2HD PHE 100 -5.965 1.098 -7.020 791 HD2 PHE 100 1HD PHE 100 -5.168 -0.806 -3.312 792 HE1 PHE 100 2HE PHE 100 -3.767 2.300 -6.875 793 HE2 PHE 100 1HE PHE 100 -2.969 0.396 -3.168 794 HZ PHE 100 HZ PHE 100 -2.295 1.935 -4.951 795 H LYS 101 H LYS 101 -8.328 -0.113 -7.946 796 HA LYS 101 HA LYS 101 -5.970 0.332 -9.601 797 HB2 LYS 101 1HB LYS 101 -7.037 -0.223 -11.634 798 HB3 LYS 101 2HB LYS 101 -7.312 -1.579 -10.559 799 HG2 LYS 101 1HG LYS 101 -9.589 -1.081 -10.271 800 HG3 LYS 101 2HG LYS 101 -9.371 0.626 -10.601 801 HD2 LYS 101 1HD LYS 101 -8.677 -0.233 -13.029 802 HD3 LYS 101 2HD LYS 101 -9.559 -1.673 -12.560 803 HE2 LYS 101 1HE LYS 101 -11.011 0.833 -11.925 804 HE3 LYS 101 2HE LYS 101 -10.690 0.642 -13.637 805 HZ1 LYS 101 2HZ LYS 101 -11.734 -1.551 -13.545 806 HZ3 LYS 101 1HZ LYS 101 -12.777 -0.441 -12.969 807 H CYS 102 H CYS 102 -6.077 2.332 -10.827 808 HA CYS 102 HA CYS 102 -7.769 4.242 -9.461 809 HB2 CYS 102 1HB CYS 102 -5.530 4.964 -9.548 810 HB3 CYS 102 2HB CYS 102 -5.327 4.478 -11.219 811 HG CYS 102 HG CYS 102 -6.727 7.068 -9.836 812 H LEU 103 H LEU 103 -9.809 4.466 -10.331 813 HA LEU 103 HA LEU 103 -10.723 3.574 -12.691 814 HB2 LEU 103 1HB LEU 103 -12.423 5.436 -12.518 815 HB3 LEU 103 2HB LEU 103 -12.276 4.344 -11.155 816 HG LEU 103 HG LEU 103 -10.639 6.225 -10.244 817 HD11 LEU 103 1HD1 LEU 103 -11.468 7.426 -12.615 818 HD12 LEU 103 2HD1 LEU 103 -12.429 8.229 -11.351 819 HD13 LEU 103 3HD1 LEU 103 -10.653 8.212 -11.242 820 HD21 LEU 103 3HD2 LEU 103 -12.714 7.339 -9.223 821 HD22 LEU 103 1HD2 LEU 103 -13.651 6.148 -10.157 822 HD23 LEU 103 2HD2 LEU 103 -12.474 5.598 -8.940 Start of MODEL 2 1 H1 MET 1 1H MET 1 -16.947 12.255 10.016 2 HA MET 1 HA MET 1 -14.540 13.504 11.064 3 HB2 MET 1 1HB MET 1 -16.762 11.780 12.265 4 HB3 MET 1 2HB MET 1 -15.269 12.055 13.140 5 HG2 MET 1 1HG MET 1 -16.644 14.484 12.015 6 HG3 MET 1 2HG MET 1 -17.421 13.695 13.373 7 HE1 MET 1 3HE MET 1 -16.574 16.392 13.106 8 HE2 MET 1 1HE MET 1 -16.306 16.554 14.858 9 HE3 MET 1 2HE MET 1 -14.993 16.935 13.717 10 H GLN 2 H GLN 2 -15.740 10.653 9.473 11 HA GLN 2 HA GLN 2 -14.018 8.768 10.553 12 HB2 GLN 2 1HB GLN 2 -14.490 7.507 8.411 13 HB3 GLN 2 2HB GLN 2 -15.924 8.056 9.257 14 HG2 GLN 2 1HG GLN 2 -16.210 9.932 7.731 15 HG3 GLN 2 2HG GLN 2 -14.637 9.664 7.007 16 HE21 GLN 2 2HE2 GLN 2 -17.822 8.043 5.339 17 HE22 GLN 2 1HE2 GLN 2 -17.736 9.437 6.363 18 HA PRO 3 HA PRO 3 -10.289 10.170 8.749 19 HB2 PRO 3 2HB PRO 3 -9.095 9.704 10.662 20 HB3 PRO 3 1HB PRO 3 -8.631 8.260 9.785 21 HG2 PRO 3 1HG PRO 3 -10.040 6.927 11.030 22 HG3 PRO 3 2HG PRO 3 -10.154 8.281 12.136 23 HD2 PRO 3 1HD PRO 3 -12.264 7.206 10.518 24 HD3 PRO 3 2HD PRO 3 -12.346 8.630 11.536 25 H ASN 4 H ASN 4 -8.349 9.261 7.456 26 HA ASN 4 HA ASN 4 -9.314 8.334 5.142 27 HB2 ASN 4 1HB ASN 4 -6.933 9.124 5.665 28 HB3 ASN 4 2HB ASN 4 -6.599 7.528 6.308 29 HD21 ASN 4 2HD2 ASN 4 -6.677 8.294 2.296 30 HD22 ASN 4 1HD2 ASN 4 -7.039 9.475 3.511 31 H ASP 5 H ASP 5 -8.654 6.041 4.111 32 HA ASP 5 HA ASP 5 -9.768 4.074 5.898 33 HB2 ASP 5 1HB ASP 5 -9.048 3.902 2.934 34 HB3 ASP 5 2HB ASP 5 -9.921 2.675 3.830 35 HD2 ASP 5 HD ASP 5 -11.245 5.523 4.919 36 H ILE 6 H ILE 6 -6.903 4.692 3.758 37 HA ILE 6 HA ILE 6 -5.188 3.259 5.511 38 HB ILE 6 HB ILE 6 -6.084 1.307 4.531 39 HG12 ILE 6 1HG1 ILE 6 -3.696 1.433 2.795 40 HG13 ILE 6 2HG1 ILE 6 -3.419 1.919 4.456 41 HG21 ILE 6 1HG2 ILE 6 -5.954 2.862 1.977 42 HG22 ILE 6 2HG2 ILE 6 -5.818 1.088 1.920 43 HG23 ILE 6 3HG2 ILE 6 -7.259 1.848 2.638 44 HD11 ILE 6 3HD1 ILE 6 -3.180 -0.603 3.890 45 HD12 ILE 6 1HD1 ILE 6 -4.140 -0.178 5.327 46 HD13 ILE 6 2HD1 ILE 6 -4.958 -0.621 3.809 47 H THR 7 H THR 7 -3.057 3.917 5.224 48 HA THR 7 HA THR 7 -2.704 5.925 3.110 49 HB THR 7 HB THR 7 -0.700 6.488 4.726 50 HG1 THR 7 1HG THR 7 -1.047 4.376 5.852 51 HG21 THR 7 3HG2 THR 7 -2.289 8.135 5.084 52 HG22 THR 7 1HG2 THR 7 -3.629 6.965 5.110 53 HG23 THR 7 2HG2 THR 7 -2.627 7.202 6.562 54 H PHE 8 H PHE 8 -0.225 6.115 2.480 55 HA PHE 8 HA PHE 8 1.044 3.544 2.282 56 HB2 PHE 8 1HB PHE 8 0.114 5.129 -0.186 57 HB3 PHE 8 2HB PHE 8 0.983 3.608 -0.227 58 HD1 PHE 8 2HD PHE 8 -2.255 5.196 0.380 59 HD2 PHE 8 1HD PHE 8 -0.151 1.513 0.251 60 HE1 PHE 8 2HE PHE 8 -4.434 3.952 0.353 61 HE2 PHE 8 1HE PHE 8 -2.330 0.269 0.224 62 HZ PHE 8 HZ PHE 8 -4.446 1.503 0.275 63 H PHE 9 H PHE 9 3.243 3.814 2.264 64 HA PHE 9 HA PHE 9 4.459 6.142 2.779 65 HB2 PHE 9 1HB PHE 9 5.368 3.724 2.670 66 HB3 PHE 9 2HB PHE 9 5.501 3.912 0.932 67 HD1 PHE 9 1HD PHE 9 6.300 6.521 3.434 68 HD2 PHE 9 2HD PHE 9 7.836 3.668 0.694 69 HE1 PHE 9 1HE PHE 9 8.599 7.490 3.714 70 HE2 PHE 9 2HE PHE 9 10.135 4.637 0.974 71 HZ PHE 9 HZ PHE 9 10.489 6.536 2.481 72 H GLN 10 H GLN 10 6.018 7.483 1.445 73 HA GLN 10 HA GLN 10 4.684 8.773 -0.541 74 HB2 GLN 10 1HB GLN 10 6.651 9.653 0.729 75 HB3 GLN 10 2HB GLN 10 7.707 8.581 -0.170 76 HG2 GLN 10 1HG GLN 10 6.230 9.897 -2.176 77 HG3 GLN 10 2HG GLN 10 6.524 11.151 -0.989 78 HE21 GLN 10 2HE2 GLN 10 9.328 10.967 -3.477 79 HE22 GLN 10 1HE2 GLN 10 7.604 11.105 -3.568 80 H ARG 11 H ARG 11 7.333 6.307 -0.875 81 HA ARG 11 HA ARG 11 7.527 6.300 -3.559 82 HB2 ARG 11 1HB ARG 11 7.617 3.873 -1.694 83 HB3 ARG 11 2HB ARG 11 8.276 3.902 -3.317 84 HG2 ARG 11 1HG ARG 11 9.451 6.158 -2.209 85 HG3 ARG 11 2HG ARG 11 9.356 5.097 -0.817 86 HD2 ARG 11 1HD ARG 11 11.279 4.151 -1.604 87 HD3 ARG 11 2HD ARG 11 10.262 3.357 -2.791 88 HE ARG 11 HE ARG 11 10.991 6.046 -3.633 89 HH11 ARG 11 2HH2 ARG 11 12.167 2.707 -3.479 90 HH12 ARG 11 1HH2 ARG 11 13.271 2.904 -4.799 91 HH21 ARG 11 1HH ARG 11 13.420 5.028 -5.898 92 H PHE 12 H PHE 12 5.236 4.388 -1.491 93 HA PHE 12 HA PHE 12 4.014 3.033 -3.609 94 HB2 PHE 12 1HB PHE 12 3.304 3.870 -0.754 95 HB3 PHE 12 2HB PHE 12 2.115 3.016 -1.717 96 HD1 PHE 12 1HD PHE 12 5.806 2.558 -1.370 97 HD2 PHE 12 2HD PHE 12 1.943 0.864 -0.907 98 HE1 PHE 12 1HE PHE 12 6.845 0.370 -0.712 99 HE2 PHE 12 2HE PHE 12 2.982 -1.325 -0.249 100 HZ PHE 12 HZ PHE 12 5.420 -1.546 -0.159 101 H GLN 13 H GLN 13 3.334 6.185 -2.003 102 HA GLN 13 HA GLN 13 0.862 6.614 -3.119 103 HB2 GLN 13 1HB GLN 13 2.911 8.170 -1.727 104 HB3 GLN 13 2HB GLN 13 2.114 9.145 -2.946 105 HG2 GLN 13 1HG GLN 13 0.154 7.523 -1.497 106 HG3 GLN 13 2HG GLN 13 1.117 8.463 -0.374 107 HE21 GLN 13 2HE2 GLN 13 -1.893 10.383 -1.573 108 HE22 GLN 13 1HE2 GLN 13 -1.635 8.806 -0.905 109 H ASP 14 H ASP 14 4.155 7.532 -4.329 110 HA ASP 14 HA ASP 14 3.304 8.877 -6.560 111 HB2 ASP 14 1HB ASP 14 5.621 8.974 -5.874 112 HB3 ASP 14 2HB ASP 14 5.798 7.233 -5.972 113 HD2 ASP 14 HD ASP 14 6.227 9.533 -9.180 114 H ASP 15 H ASP 15 4.103 5.382 -6.004 115 HA ASP 15 HA ASP 15 3.956 4.484 -8.555 116 HB2 ASP 15 1HB ASP 15 4.560 3.172 -6.468 117 HB3 ASP 15 2HB ASP 15 2.854 3.074 -6.079 118 HD2 ASP 15 HD ASP 15 4.829 2.417 -8.883 119 H ILE 16 H ILE 16 1.354 5.197 -6.164 120 HA ILE 16 HA ILE 16 -0.747 4.076 -7.681 121 HB ILE 16 HB ILE 16 -0.560 5.959 -5.352 122 HG12 ILE 16 1HG1 ILE 16 -2.109 3.449 -5.209 123 HG13 ILE 16 2HG1 ILE 16 -0.400 3.230 -5.528 124 HG21 ILE 16 1HG2 ILE 16 -2.908 5.458 -7.106 125 HG22 ILE 16 2HG2 ILE 16 -3.182 5.423 -5.348 126 HG23 ILE 16 3HG2 ILE 16 -2.490 6.874 -6.112 127 HD11 ILE 16 3HD1 ILE 16 -1.684 4.672 -3.177 128 HD12 ILE 16 1HD1 ILE 16 -0.608 3.255 -3.142 129 HD13 ILE 16 2HD1 ILE 16 0.042 4.855 -3.572 130 H LEU 17 H LEU 17 0.612 7.408 -7.341 131 HA LEU 17 HA LEU 17 -1.263 8.662 -8.968 132 HB2 LEU 17 1HB LEU 17 -0.127 10.423 -8.307 133 HB3 LEU 17 2HB LEU 17 0.999 9.353 -7.497 134 HG LEU 17 HG LEU 17 2.143 9.251 -9.879 135 HD11 LEU 17 1HD1 LEU 17 1.110 10.511 -11.404 136 HD12 LEU 17 2HD1 LEU 17 0.163 11.385 -10.176 137 HD13 LEU 17 3HD1 LEU 17 1.823 11.905 -10.557 138 HD21 LEU 17 3HD2 LEU 17 3.155 11.668 -9.057 139 HD22 LEU 17 1HD2 LEU 17 2.426 11.029 -7.564 140 HD23 LEU 17 2HD2 LEU 17 3.644 10.072 -8.440 141 H ALA 18 H ALA 18 1.400 6.491 -9.699 142 HA ALA 18 HA ALA 18 1.667 7.328 -12.418 143 HB1 ALA 18 3HB ALA 18 3.593 6.353 -11.489 144 HB2 ALA 18 1HB ALA 18 2.673 5.041 -10.713 145 HB3 ALA 18 2HB ALA 18 2.915 5.037 -12.477 146 H GLY 19 H GLY 19 -0.858 5.916 -10.766 147 HA2 GLY 19 1HA GLY 19 -2.653 4.707 -11.370 148 HA3 GLY 19 2HA GLY 19 -2.335 5.248 -13.006 149 H ARG 20 H ARG 20 -0.834 2.938 -10.621 150 HA ARG 20 HA ARG 20 -0.805 1.020 -12.811 151 HB2 ARG 20 1HB ARG 20 1.410 2.061 -11.286 152 HB3 ARG 20 2HB ARG 20 1.215 0.381 -10.828 153 HG2 ARG 20 1HG ARG 20 2.693 0.386 -12.728 154 HG3 ARG 20 2HG ARG 20 1.151 -0.208 -13.313 155 HD2 ARG 20 1HD ARG 20 0.600 2.172 -14.058 156 HD3 ARG 20 2HD ARG 20 2.232 2.635 -13.619 157 HE ARG 20 HE ARG 20 2.205 0.315 -15.380 158 HH11 ARG 20 2HH2 ARG 20 2.002 3.852 -15.338 159 HH12 ARG 20 1HH2 ARG 20 2.572 4.028 -16.964 160 HH21 ARG 20 1HH ARG 20 3.127 2.071 -18.231 161 H LYS 21 H LYS 21 -2.645 -0.182 -12.215 162 HA LYS 21 HA LYS 21 -3.687 -0.655 -9.805 163 HB2 LYS 21 1HB LYS 21 -3.411 -2.650 -12.074 164 HB3 LYS 21 2HB LYS 21 -4.525 -2.808 -10.731 165 HG2 LYS 21 1HG LYS 21 -6.017 -1.497 -11.819 166 HG3 LYS 21 2HG LYS 21 -4.885 -0.161 -11.755 167 HD2 LYS 21 1HD LYS 21 -3.764 -1.120 -13.844 168 HD3 LYS 21 2HD LYS 21 -5.070 -2.284 -13.941 169 HE2 LYS 21 1HE LYS 21 -6.517 -0.747 -14.807 170 HE3 LYS 21 2HE LYS 21 -6.101 0.450 -13.596 171 HZ1 LYS 21 2HZ LYS 21 -4.279 1.184 -14.892 172 HZ3 LYS 21 1HZ LYS 21 -5.465 0.977 -15.989 173 H THR 22 H THR 22 -2.492 -0.929 -7.965 174 HA THR 22 HA THR 22 -0.694 -3.264 -7.955 175 HB THR 22 HB THR 22 -0.327 -0.411 -7.089 176 HG1 THR 22 1HG THR 22 1.167 -1.050 -8.610 177 HG21 THR 22 3HG2 THR 22 -0.248 -1.812 -4.922 178 HG22 THR 22 1HG2 THR 22 1.085 -2.722 -5.671 179 HG23 THR 22 2HG2 THR 22 1.268 -0.981 -5.348 180 H ILE 23 H ILE 23 -0.456 -4.335 -5.841 181 HA ILE 23 HA ILE 23 -3.043 -4.280 -4.480 182 HB ILE 23 HB ILE 23 -1.355 -6.449 -3.683 183 HG12 ILE 23 1HG1 ILE 23 -1.536 -5.967 -6.661 184 HG13 ILE 23 2HG1 ILE 23 -0.105 -6.271 -5.696 185 HG21 ILE 23 1HG2 ILE 23 -4.005 -5.987 -4.021 186 HG22 ILE 23 2HG2 ILE 23 -3.652 -6.956 -5.471 187 HG23 ILE 23 3HG2 ILE 23 -3.278 -7.603 -3.855 188 HD11 ILE 23 3HD1 ILE 23 -1.382 -8.537 -5.079 189 HD12 ILE 23 1HD1 ILE 23 -2.229 -8.204 -6.609 190 HD13 ILE 23 2HD1 ILE 23 -0.459 -8.392 -6.594 191 H THR 24 H THR 24 -3.120 -4.344 -2.126 192 HA THR 24 HA THR 24 -0.698 -3.173 -0.922 193 HB THR 24 HB THR 24 -2.227 -1.782 0.426 194 HG1 THR 24 1HG THR 24 -3.908 -3.522 0.420 195 HG21 THR 24 3HG2 THR 24 -2.898 -1.854 -2.555 196 HG22 THR 24 1HG2 THR 24 -3.616 -0.657 -1.450 197 HG23 THR 24 2HG2 THR 24 -1.855 -0.690 -1.702 198 H ILE 25 H ILE 25 -0.916 -3.358 1.630 199 HA ILE 25 HA ILE 25 -1.830 -6.087 2.200 200 HB ILE 25 HB ILE 25 0.760 -4.848 3.136 201 HG12 ILE 25 1HG1 ILE 25 1.487 -7.013 1.667 202 HG13 ILE 25 2HG1 ILE 25 0.080 -6.490 0.762 203 HG21 ILE 25 1HG2 ILE 25 0.636 -6.362 4.759 204 HG22 ILE 25 2HG2 ILE 25 -0.799 -7.128 4.036 205 HG23 ILE 25 3HG2 ILE 25 0.830 -7.609 3.503 206 HD11 ILE 25 3HD1 ILE 25 1.087 -4.107 0.847 207 HD12 ILE 25 1HD1 ILE 25 2.585 -4.890 1.405 208 HD13 ILE 25 2HD1 ILE 25 1.913 -5.292 -0.193 209 H ARG 26 H ARG 26 -2.818 -6.391 4.205 210 HA ARG 26 HA ARG 26 -2.831 -4.092 5.956 211 HB2 ARG 26 1HB ARG 26 -5.498 -5.287 5.865 212 HB3 ARG 26 2HB ARG 26 -5.041 -3.608 5.656 213 HG2 ARG 26 1HG ARG 26 -4.702 -5.668 3.435 214 HG3 ARG 26 2HG ARG 26 -6.186 -4.760 3.645 215 HD2 ARG 26 1HD ARG 26 -3.991 -2.885 3.753 216 HD3 ARG 26 2HD ARG 26 -3.742 -3.916 2.357 217 HE ARG 26 HE ARG 26 -6.473 -3.210 2.313 218 HH11 ARG 26 2HH2 ARG 26 -3.364 -1.519 2.131 219 HH12 ARG 26 1HH2 ARG 26 -3.987 -0.217 1.174 220 HH21 ARG 26 1HH ARG 26 -6.301 -0.222 0.550 221 H ASP 27 H ASP 27 -4.151 -4.779 8.097 222 HA ASP 27 HA ASP 27 -3.223 -7.470 8.694 223 HB2 ASP 27 1HB ASP 27 -2.219 -5.745 10.105 224 HB3 ASP 27 2HB ASP 27 -3.786 -5.042 10.452 225 HD2 ASP 27 HD ASP 27 -1.808 -6.058 12.228 226 H GLU 28 H GLU 28 -4.754 -9.011 9.434 227 HA GLU 28 HA GLU 28 -7.401 -8.617 8.867 228 HB2 GLU 28 1HB GLU 28 -6.552 -10.852 8.985 229 HB3 GLU 28 2HB GLU 28 -5.957 -10.633 10.619 230 HG2 GLU 28 1HG GLU 28 -8.037 -11.967 10.634 231 HG3 GLU 28 2HG GLU 28 -8.283 -10.447 11.471 232 HE2 GLU 28 HE GLU 28 -11.105 -10.730 9.821 233 H SER 29 H SER 29 -5.595 -8.230 11.955 234 HA SER 29 HA SER 29 -7.808 -7.929 13.580 235 HB2 SER 29 1HB SER 29 -6.235 -6.877 15.174 236 HB3 SER 29 2HB SER 29 -5.532 -8.307 14.444 237 HG SER 29 HG SER 29 -4.993 -5.546 13.768 238 H GLU 30 H GLU 30 -6.601 -5.939 11.044 239 HA GLU 30 HA GLU 30 -8.094 -3.681 12.135 240 HB2 GLU 30 1HB GLU 30 -5.469 -3.826 10.701 241 HB3 GLU 30 2HB GLU 30 -6.514 -2.488 10.267 242 HG2 GLU 30 1HG GLU 30 -6.580 -1.659 12.525 243 HG3 GLU 30 2HG GLU 30 -5.941 -3.153 13.180 244 HE2 GLU 30 HE GLU 30 -3.230 -0.711 12.960 245 H SER 31 H SER 31 -8.554 -6.207 10.217 246 HA SER 31 HA SER 31 -8.972 -5.549 7.694 247 HB2 SER 31 1HB SER 31 -9.784 -7.653 7.928 248 HB3 SER 31 2HB SER 31 -10.212 -7.386 9.606 249 HG SER 31 HG SER 31 -11.791 -7.106 7.265 250 H HIS 32 H HIS 32 -9.881 -3.779 6.719 251 HA HIS 32 HA HIS 32 -12.144 -2.540 8.103 252 HB2 HIS 32 1HB HIS 32 -11.531 -0.473 6.979 253 HB3 HIS 32 2HB HIS 32 -10.191 -1.097 7.921 254 HD1 HIS 32 1HD HIS 32 -9.142 0.760 5.996 255 HD2 HIS 32 2HD HIS 32 -10.080 -3.151 4.805 256 HE1 HIS 32 1HE HIS 32 -7.828 0.332 3.851 257 H PHE 33 H PHE 33 -12.216 -1.037 5.256 258 HA PHE 33 HA PHE 33 -14.496 -2.164 4.325 259 HB2 PHE 33 1HB PHE 33 -12.200 -1.034 2.621 260 HB3 PHE 33 2HB PHE 33 -13.908 -0.936 2.242 261 HD1 PHE 33 1HD PHE 33 -15.376 0.589 3.528 262 HD2 PHE 33 2HD PHE 33 -11.175 0.523 4.125 263 HE1 PHE 33 1HE PHE 33 -15.504 2.816 4.679 264 HE2 PHE 33 2HE PHE 33 -11.303 2.749 5.276 265 HZ PHE 33 HZ PHE 33 -13.466 3.869 5.539 266 H LYS 34 H LYS 34 -14.619 -3.086 1.876 267 HA LYS 34 HA LYS 34 -12.667 -5.257 1.651 268 HB2 LYS 34 1HB LYS 34 -14.443 -6.859 1.200 269 HB3 LYS 34 2HB LYS 34 -14.624 -6.167 2.800 270 HG2 LYS 34 1HG LYS 34 -16.604 -5.134 2.275 271 HG3 LYS 34 2HG LYS 34 -16.042 -4.634 0.692 272 HD2 LYS 34 1HD LYS 34 -17.627 -6.205 0.045 273 HD3 LYS 34 2HD LYS 34 -16.224 -7.249 0.149 274 HE2 LYS 34 1HE LYS 34 -16.954 -8.287 2.101 275 HE3 LYS 34 2HE LYS 34 -17.779 -6.857 2.688 276 HZ1 LYS 34 2HZ LYS 34 -18.769 -8.897 0.847 277 HZ3 LYS 34 1HZ LYS 34 -19.281 -7.375 0.576 278 H THR 35 H THR 35 -13.860 -6.452 -0.649 279 HA THR 35 HA THR 35 -12.949 -4.607 -2.622 280 HB THR 35 HB THR 35 -14.408 -7.275 -2.965 281 HG1 THR 35 1HG THR 35 -12.626 -7.919 -1.807 282 HG21 THR 35 3HG2 THR 35 -12.802 -7.466 -4.903 283 HG22 THR 35 1HG2 THR 35 -13.932 -6.105 -5.099 284 HG23 THR 35 2HG2 THR 35 -12.257 -5.802 -4.578 285 H GLY 36 H GLY 36 -14.100 -3.656 -4.359 286 HA2 GLY 36 1HA GLY 36 -15.966 -2.908 -5.453 287 HA3 GLY 36 2HA GLY 36 -16.997 -3.729 -4.298 288 H ASP 37 H ASP 37 -15.073 -2.386 -2.126 289 HA ASP 37 HA ASP 37 -16.809 -0.137 -1.817 290 HB2 ASP 37 1HB ASP 37 -15.066 -1.781 -0.142 291 HB3 ASP 37 2HB ASP 37 -14.742 -0.083 0.147 292 HD2 ASP 37 HD ASP 37 -16.830 1.172 0.778 293 H VAL 38 H VAL 38 -15.114 1.735 -0.513 294 HA VAL 38 HA VAL 38 -13.313 2.485 -2.708 295 HB VAL 38 HB VAL 38 -15.309 3.900 -1.113 296 HG11 VAL 38 1HG1 VAL 38 -13.314 4.738 0.054 297 HG12 VAL 38 2HG1 VAL 38 -12.599 5.216 -1.504 298 HG13 VAL 38 3HG1 VAL 38 -14.079 6.014 -0.922 299 HG21 VAL 38 3HG2 VAL 38 -15.444 3.762 -3.529 300 HG22 VAL 38 1HG2 VAL 38 -15.199 5.459 -3.050 301 HG23 VAL 38 2HG2 VAL 38 -13.838 4.511 -3.698 302 H LEU 39 H LEU 39 -11.204 3.280 -2.199 303 HA LEU 39 HA LEU 39 -10.394 2.793 0.578 304 HB2 LEU 39 1HB LEU 39 -9.222 1.719 -1.960 305 HB3 LEU 39 2HB LEU 39 -8.179 2.038 -0.588 306 HG LEU 39 HG LEU 39 -10.624 0.256 -0.447 307 HD11 LEU 39 1HD1 LEU 39 -8.913 -0.572 -2.077 308 HD12 LEU 39 2HD1 LEU 39 -7.746 -0.639 -0.735 309 HD13 LEU 39 3HD1 LEU 39 -9.209 -1.654 -0.695 310 HD21 LEU 39 3HD2 LEU 39 -8.979 1.388 1.557 311 HD22 LEU 39 1HD2 LEU 39 -10.258 0.162 1.736 312 HD23 LEU 39 2HD2 LEU 39 -8.573 -0.343 1.467 313 H ARG 40 H ARG 40 -9.920 4.764 1.395 314 HA ARG 40 HA ARG 40 -9.162 6.857 -0.335 315 HB2 ARG 40 1HB ARG 40 -10.268 6.673 2.221 316 HB3 ARG 40 2HB ARG 40 -8.644 7.232 2.571 317 HG2 ARG 40 1HG ARG 40 -8.961 9.079 0.864 318 HG3 ARG 40 2HG ARG 40 -10.617 8.550 0.646 319 HD2 ARG 40 1HD ARG 40 -11.100 8.986 3.047 320 HD3 ARG 40 2HD ARG 40 -9.431 9.445 3.319 321 HE ARG 40 HE ARG 40 -9.807 11.498 2.196 322 HH11 ARG 40 2HH2 ARG 40 -12.635 9.386 1.881 323 HH12 ARG 40 1HH2 ARG 40 -13.661 10.644 1.275 324 HH21 ARG 40 1HH ARG 40 -12.774 12.852 0.999 325 H VAL 41 H VAL 41 -7.095 7.365 -1.007 326 HA VAL 41 HA VAL 41 -4.898 5.974 0.309 327 HB VAL 41 HB VAL 41 -3.646 6.845 -1.716 328 HG11 VAL 41 1HG1 VAL 41 -5.272 5.234 -3.229 329 HG12 VAL 41 2HG1 VAL 41 -4.019 4.657 -2.105 330 HG13 VAL 41 3HG1 VAL 41 -5.716 4.750 -1.575 331 HG21 VAL 41 3HG2 VAL 41 -6.412 7.361 -2.838 332 HG22 VAL 41 1HG2 VAL 41 -5.370 8.651 -2.192 333 HG23 VAL 41 2HG2 VAL 41 -4.835 7.691 -3.593 334 H GLY 42 H GLY 42 -3.576 6.992 1.726 335 HA2 GLY 42 1HA GLY 42 -3.397 9.933 1.561 336 HA3 GLY 42 2HA GLY 42 -3.766 9.141 3.080 337 H ARG 43 H ARG 43 -1.285 10.515 1.371 338 HA ARG 43 HA ARG 43 0.745 8.658 1.583 339 HB2 ARG 43 1HB ARG 43 0.606 11.035 0.402 340 HB3 ARG 43 2HB ARG 43 1.235 11.636 1.923 341 HG2 ARG 43 1HG ARG 43 3.297 10.555 1.670 342 HG3 ARG 43 2HG ARG 43 2.628 9.267 0.687 343 HD2 ARG 43 1HD ARG 43 3.781 10.501 -0.938 344 HD3 ARG 43 2HD ARG 43 2.181 11.201 -1.076 345 HE ARG 43 HE ARG 43 3.639 12.651 0.919 346 HH11 ARG 43 2HH2 ARG 43 3.593 12.171 -2.591 347 HH12 ARG 43 1HH2 ARG 43 4.272 13.727 -2.937 348 HH21 ARG 43 1HH ARG 43 4.819 15.199 -1.127 349 H PHE 44 H PHE 44 2.654 8.738 3.123 350 HA PHE 44 HA PHE 44 1.680 8.904 5.811 351 HB2 PHE 44 1HB PHE 44 3.416 7.288 4.494 352 HB3 PHE 44 2HB PHE 44 4.578 8.518 4.949 353 HD1 PHE 44 1HD PHE 44 1.742 6.814 6.701 354 HD2 PHE 44 2HD PHE 44 5.847 7.888 6.755 355 HE1 PHE 44 1HE PHE 44 1.993 5.743 8.957 356 HE2 PHE 44 2HE PHE 44 6.098 6.816 9.010 357 HZ PHE 44 HZ PHE 44 4.168 5.757 10.085 358 H GLU 45 H GLU 45 4.198 10.564 3.801 359 HA GLU 45 HA GLU 45 5.424 12.076 5.583 360 HB2 GLU 45 1HB GLU 45 4.741 12.327 2.753 361 HB3 GLU 45 2HB GLU 45 4.832 13.908 3.503 362 HG2 GLU 45 1HG GLU 45 7.097 13.793 3.711 363 HG3 GLU 45 2HG GLU 45 7.032 12.186 4.408 364 HE2 GLU 45 HE GLU 45 8.904 11.484 2.454 365 H ASP 46 H ASP 46 2.026 12.380 4.590 366 HA ASP 46 HA ASP 46 1.330 13.754 6.855 367 HB2 ASP 46 1HB ASP 46 0.635 15.957 5.592 368 HB3 ASP 46 2HB ASP 46 2.273 15.794 6.192 369 HD2 ASP 46 HD ASP 46 0.739 16.860 3.532 370 H ASP 47 H ASP 47 0.853 13.148 3.349 371 HA ASP 47 HA ASP 47 -1.438 11.795 3.545 372 HB2 ASP 47 1HB ASP 47 -1.992 14.519 4.146 373 HB3 ASP 47 2HB ASP 47 -2.566 14.292 2.506 374 HD2 ASP 47 HD ASP 47 -5.456 13.543 4.053 375 H GLY 48 H GLY 48 0.700 14.052 1.927 376 HA2 GLY 48 1HA GLY 48 1.181 14.476 -0.243 377 HA3 GLY 48 2HA GLY 48 1.082 12.733 -0.389 378 H TYR 49 H TYR 49 0.027 12.356 -2.310 379 HA TYR 49 HA TYR 49 -2.009 14.070 -3.275 380 HB2 TYR 49 1HB TYR 49 -0.549 12.695 -4.733 381 HB3 TYR 49 2HB TYR 49 -0.968 11.236 -3.858 382 HD1 TYR 49 2HD TYR 49 -2.587 13.929 -5.907 383 HD2 TYR 49 1HD TYR 49 -2.583 9.811 -4.747 384 HE1 TYR 49 2HE TYR 49 -4.438 13.448 -7.582 385 HE2 TYR 49 1HE TYR 49 -4.434 9.344 -6.425 386 HH TYR 49 HH TYR 49 -6.294 10.753 -7.491 387 H PHE 50 H PHE 50 -3.031 13.746 -0.857 388 HA PHE 50 HA PHE 50 -4.455 11.478 -0.263 389 HB2 PHE 50 1HB PHE 50 -5.703 13.026 1.195 390 HB3 PHE 50 2HB PHE 50 -4.053 13.610 1.112 391 HD1 PHE 50 2HD PHE 50 -3.513 15.607 -0.245 392 HD2 PHE 50 1HD PHE 50 -7.516 14.301 0.282 393 HE1 PHE 50 2HE PHE 50 -4.345 17.847 -1.014 394 HE2 PHE 50 1HE PHE 50 -8.348 16.541 -0.486 395 HZ PHE 50 HZ PHE 50 -6.753 18.287 -1.125 396 H CYS 51 H CYS 51 -5.889 10.393 -1.530 397 HA CYS 51 HA CYS 51 -8.102 11.901 -2.601 398 HB2 CYS 51 1HB CYS 51 -6.439 10.170 -4.458 399 HB3 CYS 51 2HB CYS 51 -7.897 11.051 -4.868 400 HG CYS 51 HG CYS 51 -7.013 13.277 -5.086 401 H THR 52 H THR 52 -9.410 9.901 -3.986 402 HA THR 52 HA THR 52 -9.390 7.611 -2.134 403 HB THR 52 HB THR 52 -11.933 8.676 -3.395 404 HG1 THR 52 1HG THR 52 -11.850 10.382 -1.949 405 HG21 THR 52 3HG2 THR 52 -11.201 6.740 -1.356 406 HG22 THR 52 1HG2 THR 52 -12.113 8.064 -0.593 407 HG23 THR 52 2HG2 THR 52 -12.828 7.155 -1.945 408 H ILE 53 H ILE 53 -10.042 5.572 -3.015 409 HA ILE 53 HA ILE 53 -10.276 5.486 -5.909 410 HB ILE 53 HB ILE 53 -8.396 4.309 -6.352 411 HG12 ILE 53 1HG1 ILE 53 -8.468 3.333 -3.491 412 HG13 ILE 53 2HG1 ILE 53 -8.744 2.412 -4.956 413 HG21 ILE 53 1HG2 ILE 53 -6.510 5.382 -5.390 414 HG22 ILE 53 2HG2 ILE 53 -7.830 6.576 -5.400 415 HG23 ILE 53 3HG2 ILE 53 -7.392 5.746 -3.888 416 HD11 ILE 53 3HD1 ILE 53 -6.096 3.764 -4.261 417 HD12 ILE 53 1HD1 ILE 53 -6.458 2.043 -3.982 418 HD13 ILE 53 2HD1 ILE 53 -6.403 2.684 -5.642 419 H GLU 54 H GLU 54 -10.636 3.034 -6.556 420 HA GLU 54 HA GLU 54 -12.398 1.957 -4.494 421 HB2 GLU 54 1HB GLU 54 -13.215 2.848 -6.908 422 HB3 GLU 54 2HB GLU 54 -12.771 1.221 -7.384 423 HG2 GLU 54 1HG GLU 54 -14.298 0.232 -5.781 424 HG3 GLU 54 2HG GLU 54 -14.558 1.767 -4.976 425 HE2 GLU 54 HE GLU 54 -15.900 3.193 -5.945 426 H VAL 55 H VAL 55 -12.513 -0.401 -4.291 427 HA VAL 55 HA VAL 55 -9.947 -1.595 -4.689 428 HB VAL 55 HB VAL 55 -12.283 -3.216 -3.852 429 HG11 VAL 55 1HG1 VAL 55 -9.495 -2.754 -2.741 430 HG12 VAL 55 2HG1 VAL 55 -10.685 -3.893 -2.067 431 HG13 VAL 55 3HG1 VAL 55 -10.047 -4.141 -3.710 432 HG21 VAL 55 3HG2 VAL 55 -13.115 -1.464 -2.645 433 HG22 VAL 55 1HG2 VAL 55 -11.877 -2.021 -1.493 434 HG23 VAL 55 2HG2 VAL 55 -11.544 -0.632 -2.554 435 H THR 56 H THR 56 -9.560 -3.611 -5.871 436 HA THR 56 HA THR 56 -11.468 -3.982 -8.085 437 HB THR 56 HB THR 56 -9.487 -2.715 -8.860 438 HG1 THR 56 1HG THR 56 -9.771 -4.155 -10.517 439 HG21 THR 56 3HG2 THR 56 -8.010 -3.979 -6.947 440 HG22 THR 56 1HG2 THR 56 -7.685 -5.063 -8.322 441 HG23 THR 56 2HG2 THR 56 -7.281 -3.333 -8.437 442 H ALA 57 H ALA 57 -8.978 -5.417 -5.928 443 HA ALA 57 HA ALA 57 -10.467 -7.861 -5.903 444 HB1 ALA 57 3HB ALA 57 -8.949 -7.831 -8.039 445 HB2 ALA 57 1HB ALA 57 -7.621 -8.099 -6.885 446 HB3 ALA 57 2HB ALA 57 -8.953 -9.274 -6.997 447 H THR 58 H THR 58 -9.214 -9.512 -4.444 448 HA THR 58 HA THR 58 -7.346 -8.225 -2.636 449 HB THR 58 HB THR 58 -10.233 -8.882 -1.991 450 HG1 THR 58 1HG THR 58 -9.345 -6.682 -2.299 451 HG21 THR 58 3HG2 THR 58 -7.820 -9.343 -0.237 452 HG22 THR 58 1HG2 THR 58 -9.215 -8.507 0.486 453 HG23 THR 58 2HG2 THR 58 -9.411 -10.140 -0.194 454 H SER 59 H SER 59 -6.150 -9.698 -1.347 455 HA SER 59 HA SER 59 -6.763 -12.469 -1.611 456 HB2 SER 59 1HB SER 59 -4.056 -12.440 -2.416 457 HB3 SER 59 2HB SER 59 -5.438 -12.911 -3.385 458 HG SER 59 HG SER 59 -4.988 -10.123 -3.171 459 H THR 60 H THR 60 -4.941 -13.801 -0.418 460 HA THR 60 HA THR 60 -3.969 -12.142 1.815 461 HB THR 60 HB THR 60 -4.094 -14.648 2.852 462 HG1 THR 60 1HG THR 60 -4.912 -15.690 0.997 463 HG21 THR 60 3HG2 THR 60 -6.856 -13.752 2.660 464 HG22 THR 60 1HG2 THR 60 -5.775 -13.701 4.074 465 HG23 THR 60 2HG2 THR 60 -5.799 -12.344 2.923 466 H VAL 61 H VAL 61 -1.862 -11.714 1.640 467 HA VAL 61 HA VAL 61 -0.060 -13.925 1.344 468 HB VAL 61 HB VAL 61 0.560 -11.806 -0.601 469 HG11 VAL 61 1HG1 VAL 61 1.731 -14.087 -0.098 470 HG12 VAL 61 2HG1 VAL 61 0.457 -14.767 -1.139 471 HG13 VAL 61 3HG1 VAL 61 1.569 -13.535 -1.783 472 HG21 VAL 61 3HG2 VAL 61 -1.925 -12.058 -0.867 473 HG22 VAL 61 1HG2 VAL 61 -0.981 -12.501 -2.310 474 HG23 VAL 61 2HG2 VAL 61 -1.654 -13.773 -1.262 475 H THR 62 H THR 62 2.313 -12.972 1.409 476 HA THR 62 HA THR 62 2.413 -11.329 3.720 477 HB THR 62 HB THR 62 4.782 -11.887 1.914 478 HG1 THR 62 1HG THR 62 4.610 -14.105 2.909 479 HG21 THR 62 3HG2 THR 62 5.821 -11.398 3.895 480 HG22 THR 62 1HG2 THR 62 4.265 -11.361 4.759 481 HG23 THR 62 2HG2 THR 62 5.123 -12.905 4.537 482 H LEU 63 H LEU 63 4.812 -9.786 2.908 483 HA LEU 63 HA LEU 63 3.331 -7.616 1.622 484 HB2 LEU 63 1HB LEU 63 5.235 -6.235 2.560 485 HB3 LEU 63 2HB LEU 63 4.073 -6.898 3.691 486 HG LEU 63 HG LEU 63 6.184 -8.794 3.461 487 HD11 LEU 63 1HD1 LEU 63 7.562 -6.436 4.499 488 HD12 LEU 63 2HD1 LEU 63 8.131 -7.709 3.393 489 HD13 LEU 63 3HD1 LEU 63 7.207 -6.326 2.758 490 HD21 LEU 63 3HD2 LEU 63 4.591 -7.647 5.425 491 HD22 LEU 63 1HD2 LEU 63 5.852 -8.882 5.660 492 HD23 LEU 63 2HD2 LEU 63 6.244 -7.158 5.869 493 H ASP 64 H ASP 64 6.819 -8.623 1.760 494 HA ASP 64 HA ASP 64 7.450 -7.519 -0.653 495 HB2 ASP 64 1HB ASP 64 8.823 -8.813 1.318 496 HB3 ASP 64 2HB ASP 64 8.811 -10.084 0.113 497 HD2 ASP 64 HD ASP 64 11.119 -8.971 0.894 498 H THR 65 H THR 65 5.377 -10.146 0.021 499 HA THR 65 HA THR 65 6.020 -11.843 -2.179 500 HB THR 65 HB THR 65 3.576 -12.647 -1.494 501 HG1 THR 65 1HG THR 65 2.821 -11.082 -0.105 502 HG21 THR 65 3HG2 THR 65 4.509 -13.551 0.742 503 HG22 THR 65 1HG2 THR 65 5.444 -13.981 -0.710 504 HG23 THR 65 2HG2 THR 65 6.009 -12.673 0.357 505 H LEU 66 H LEU 66 4.818 -8.712 -2.091 506 HA LEU 66 HA LEU 66 4.179 -8.758 -4.815 507 HB2 LEU 66 1HB LEU 66 1.799 -8.316 -4.748 508 HB3 LEU 66 2HB LEU 66 2.178 -9.918 -4.148 509 HG LEU 66 HG LEU 66 2.012 -8.924 -1.794 510 HD11 LEU 66 1HD1 LEU 66 0.148 -6.865 -2.438 511 HD12 LEU 66 2HD1 LEU 66 1.678 -6.749 -1.534 512 HD13 LEU 66 3HD1 LEU 66 1.669 -6.532 -3.301 513 HD21 LEU 66 3HD2 LEU 66 -0.615 -8.806 -3.254 514 HD22 LEU 66 1HD2 LEU 66 0.285 -10.334 -3.110 515 HD23 LEU 66 2HD2 LEU 66 -0.239 -9.470 -1.646 516 H THR 67 H THR 67 3.754 -7.232 -1.587 517 HA THR 67 HA THR 67 3.272 -4.652 -2.251 518 HB THR 67 HB THR 67 3.803 -5.976 0.032 519 HG1 THR 67 1HG THR 67 4.371 -3.178 -0.653 520 HG21 THR 67 3HG2 THR 67 6.117 -4.187 0.281 521 HG22 THR 67 1HG2 THR 67 5.973 -5.897 0.755 522 HG23 THR 67 2HG2 THR 67 6.433 -5.471 -0.911 523 H GLU 68 H GLU 68 4.556 -2.741 -2.594 524 HA GLU 68 HA GLU 68 6.232 -2.950 -4.700 525 HB2 GLU 68 1HB GLU 68 5.613 -0.866 -2.667 526 HB3 GLU 68 2HB GLU 68 7.137 -0.637 -3.501 527 HG2 GLU 68 1HG GLU 68 5.029 -1.418 -5.385 528 HG3 GLU 68 2HG GLU 68 4.553 0.001 -4.473 529 HE2 GLU 68 HE GLU 68 5.751 -0.234 -7.382 530 H LYS 69 H LYS 69 6.903 -3.607 -1.325 531 HA LYS 69 HA LYS 69 9.564 -3.075 -1.091 532 HB2 LYS 69 1HB LYS 69 8.000 -3.941 0.669 533 HB3 LYS 69 2HB LYS 69 8.149 -5.538 -0.034 534 HG2 LYS 69 1HG LYS 69 10.781 -5.005 0.193 535 HG3 LYS 69 2HG LYS 69 10.217 -3.909 1.438 536 HD2 LYS 69 1HD LYS 69 9.099 -5.736 2.633 537 HD3 LYS 69 2HD LYS 69 9.424 -6.855 1.324 538 HE2 LYS 69 1HE LYS 69 11.791 -6.861 1.765 539 HE3 LYS 69 2HE LYS 69 11.692 -5.429 2.770 540 HZ1 LYS 69 2HZ LYS 69 11.839 -7.581 4.023 541 HZ3 LYS 69 1HZ LYS 69 10.350 -7.975 3.494 542 H HIS 70 H HIS 70 7.942 -5.599 -3.000 543 HA HIS 70 HA HIS 70 10.250 -7.152 -3.419 544 HB2 HIS 70 1HB HIS 70 8.338 -8.337 -3.834 545 HB3 HIS 70 2HB HIS 70 7.502 -6.976 -4.554 546 HD1 HIS 70 1HD HIS 70 10.307 -9.432 -5.427 547 HD2 HIS 70 2HD HIS 70 7.443 -7.004 -7.299 548 HE1 HIS 70 1HE HIS 70 10.427 -9.975 -7.918 549 H ALA 71 H ALA 71 8.549 -4.680 -5.471 550 HA ALA 71 HA ALA 71 10.373 -4.707 -7.552 551 HB1 ALA 71 3HB ALA 71 8.038 -3.611 -7.326 552 HB2 ALA 71 1HB ALA 71 8.904 -2.234 -6.604 553 HB3 ALA 71 2HB ALA 71 9.272 -2.742 -8.269 554 H GLU 72 H GLU 72 10.389 -2.992 -4.398 555 HA GLU 72 HA GLU 72 12.580 -1.370 -5.060 556 HB2 GLU 72 1HB GLU 72 10.737 -1.458 -3.008 557 HB3 GLU 72 2HB GLU 72 12.174 -2.042 -2.191 558 HG2 GLU 72 1HG GLU 72 13.344 -0.036 -2.499 559 HG3 GLU 72 2HG GLU 72 12.468 0.382 -3.957 560 HE2 GLU 72 HE GLU 72 12.617 1.903 -1.147 561 H GLN 73 H GLN 73 12.203 -4.530 -3.351 562 HA GLN 73 HA GLN 73 14.739 -4.827 -2.444 563 HB2 GLN 73 1HB GLN 73 12.497 -6.380 -2.481 564 HB3 GLN 73 2HB GLN 73 13.471 -7.257 -3.644 565 HG2 GLN 73 1HG GLN 73 15.095 -6.496 -1.333 566 HG3 GLN 73 2HG GLN 73 13.667 -7.365 -0.810 567 HE21 GLN 73 2HE2 GLN 73 14.443 -10.437 -2.421 568 HE22 GLN 73 1HE2 GLN 73 13.157 -9.399 -1.902 569 H GLU 74 H GLU 74 13.472 -5.192 -5.763 570 HA GLU 74 HA GLU 74 16.094 -6.095 -6.614 571 HB2 GLU 74 1HB GLU 74 13.321 -6.367 -7.649 572 HB3 GLU 74 2HB GLU 74 14.525 -6.072 -8.888 573 HG2 GLU 74 1HG GLU 74 15.593 -8.013 -7.022 574 HG3 GLU 74 2HG GLU 74 13.985 -8.527 -7.493 575 HE2 GLU 74 HE GLU 74 15.877 -10.196 -8.990 576 H ASN 75 H ASN 75 15.568 -3.325 -5.664 577 HA ASN 75 HA ASN 75 16.535 -2.020 -8.043 578 HB2 ASN 75 1HB ASN 75 13.868 -1.711 -7.407 579 HB3 ASN 75 2HB ASN 75 14.560 -0.411 -6.456 580 HD21 ASN 75 2HD2 ASN 75 13.804 1.228 -9.577 581 HD22 ASN 75 1HD2 ASN 75 13.060 0.637 -8.129 582 H MET 76 H MET 76 15.352 -1.405 -4.641 583 HA MET 76 HA MET 76 17.636 0.294 -4.202 584 HB2 MET 76 1HB MET 76 15.327 -0.488 -2.337 585 HB3 MET 76 2HB MET 76 16.457 0.823 -2.062 586 HG2 MET 76 1HG MET 76 14.410 0.629 -4.322 587 HG3 MET 76 2HG MET 76 14.372 1.744 -2.971 588 HE1 MET 76 3HE MET 76 15.840 2.733 -6.912 589 HE2 MET 76 1HE MET 76 16.015 1.004 -6.527 590 HE3 MET 76 2HE MET 76 14.455 1.821 -6.265 591 H THR 77 H THR 77 18.482 0.035 -1.701 592 HA THR 77 HA THR 77 19.518 -2.695 -1.625 593 HB THR 77 HB THR 77 21.088 -0.745 -1.623 594 HG1 THR 77 1HG THR 77 22.246 -1.801 0.001 595 HG21 THR 77 3HG2 THR 77 21.231 0.611 0.493 596 HG22 THR 77 1HG2 THR 77 19.725 0.934 -0.398 597 HG23 THR 77 2HG2 THR 77 19.702 -0.119 1.037 598 H LEU 78 H LEU 78 19.946 -3.535 0.719 599 HA LEU 78 HA LEU 78 17.480 -4.143 1.801 600 HB2 LEU 78 1HB LEU 78 20.218 -4.767 2.245 601 HB3 LEU 78 2HB LEU 78 19.513 -4.357 3.795 602 HG LEU 78 HG LEU 78 17.592 -6.017 2.884 603 HD11 LEU 78 1HD1 LEU 78 19.785 -6.408 1.065 604 HD12 LEU 78 2HD1 LEU 78 19.517 -7.889 2.015 605 HD13 LEU 78 3HD1 LEU 78 18.178 -7.174 1.085 606 HD21 LEU 78 3HD2 LEU 78 20.132 -7.025 4.187 607 HD22 LEU 78 1HD2 LEU 78 18.873 -6.095 5.034 608 HD23 LEU 78 2HD2 LEU 78 18.487 -7.688 4.339 609 H THR 79 H THR 79 19.781 -1.497 2.541 610 HA THR 79 HA THR 79 18.633 -0.633 4.922 611 HB THR 79 HB THR 79 20.440 0.401 2.780 612 HG1 THR 79 1HG THR 79 21.138 -0.544 4.815 613 HG21 THR 79 3HG2 THR 79 19.006 2.390 2.934 614 HG22 THR 79 1HG2 THR 79 18.924 2.238 4.705 615 HG23 THR 79 2HG2 THR 79 20.459 2.680 3.920 616 H GLU 80 H GLU 80 17.985 0.581 1.562 617 HA GLU 80 HA GLU 80 15.992 2.300 2.321 618 HB2 GLU 80 1HB GLU 80 17.034 1.157 -0.155 619 HB3 GLU 80 2HB GLU 80 15.293 1.329 -0.252 620 HG2 GLU 80 1HG GLU 80 15.569 3.730 0.588 621 HG3 GLU 80 2HG GLU 80 17.302 3.522 0.436 622 HE2 GLU 80 HE GLU 80 14.834 3.691 -2.676 623 H LEU 81 H LEU 81 15.819 -1.177 1.342 624 HA LEU 81 HA LEU 81 13.072 -1.427 1.312 625 HB2 LEU 81 1HB LEU 81 15.356 -3.299 1.805 626 HB3 LEU 81 2HB LEU 81 13.713 -3.863 2.032 627 HG LEU 81 HG LEU 81 14.952 -4.181 -0.258 628 HD11 LEU 81 1HD1 LEU 81 12.829 -5.062 -0.165 629 HD12 LEU 81 2HD1 LEU 81 12.078 -3.506 0.263 630 HD13 LEU 81 3HD1 LEU 81 12.626 -3.801 -1.405 631 HD21 LEU 81 3HD2 LEU 81 15.629 -2.061 -0.891 632 HD22 LEU 81 1HD2 LEU 81 14.128 -2.275 -1.823 633 HD23 LEU 81 2HD2 LEU 81 14.121 -1.295 -0.338 634 H LYS 82 H LYS 82 15.393 -1.406 4.042 635 HA LYS 82 HA LYS 82 13.444 -2.203 5.951 636 HB2 LYS 82 1HB LYS 82 16.183 -2.088 5.883 637 HB3 LYS 82 2HB LYS 82 15.807 -0.708 6.894 638 HG2 LYS 82 1HG LYS 82 15.425 -2.108 8.633 639 HG3 LYS 82 2HG LYS 82 14.067 -2.794 7.764 640 HD2 LYS 82 1HD LYS 82 15.726 -4.320 6.550 641 HD3 LYS 82 2HD LYS 82 16.970 -3.725 7.631 642 HE2 LYS 82 1HE LYS 82 15.508 -4.467 9.593 643 HE3 LYS 82 2HE LYS 82 14.428 -5.215 8.434 644 HZ1 LYS 82 2HZ LYS 82 15.803 -6.972 8.431 645 HZ3 LYS 82 1HZ LYS 82 16.861 -6.235 9.425 646 H LYS 83 H LYS 83 14.509 0.851 4.486 647 HA LYS 83 HA LYS 83 13.402 2.537 6.451 648 HB2 LYS 83 1HB LYS 83 14.865 2.784 4.020 649 HB3 LYS 83 2HB LYS 83 13.428 3.774 3.861 650 HG2 LYS 83 1HG LYS 83 14.921 5.252 4.921 651 HG3 LYS 83 2HG LYS 83 14.006 4.627 6.279 652 HD2 LYS 83 1HD LYS 83 16.117 2.767 5.917 653 HD3 LYS 83 2HD LYS 83 16.861 4.336 5.681 654 HE2 LYS 83 1HE LYS 83 16.959 4.485 7.951 655 HE3 LYS 83 2HE LYS 83 15.232 4.778 7.907 656 HZ1 LYS 83 2HZ LYS 83 15.009 2.253 7.948 657 HZ3 LYS 83 1HZ LYS 83 15.535 2.932 9.331 658 H VAL 84 H VAL 84 12.178 1.393 3.230 659 HA VAL 84 HA VAL 84 9.689 2.648 3.490 660 HB VAL 84 HB VAL 84 9.063 1.366 1.594 661 HG11 VAL 84 1HG1 VAL 84 11.565 2.749 1.744 662 HG12 VAL 84 2HG1 VAL 84 11.735 1.396 0.599 663 HG13 VAL 84 3HG1 VAL 84 10.449 2.605 0.365 664 HG21 VAL 84 3HG2 VAL 84 9.711 -0.858 2.452 665 HG22 VAL 84 1HG2 VAL 84 10.284 -0.587 0.788 666 HG23 VAL 84 2HG2 VAL 84 11.421 -0.465 2.152 667 H ILE 85 H ILE 85 10.887 -0.644 4.357 668 HA ILE 85 HA ILE 85 8.436 -1.719 5.074 669 HB ILE 85 HB ILE 85 11.291 -2.266 5.755 670 HG12 ILE 85 1HG1 ILE 85 10.009 -2.947 3.599 671 HG13 ILE 85 2HG1 ILE 85 11.055 -4.110 4.389 672 HG21 ILE 85 1HG2 ILE 85 8.959 -3.097 7.363 673 HG22 ILE 85 2HG2 ILE 85 10.057 -4.411 6.876 674 HG23 ILE 85 3HG2 ILE 85 10.687 -3.016 7.786 675 HD11 ILE 85 3HD1 ILE 85 8.408 -4.249 5.580 676 HD12 ILE 85 1HD1 ILE 85 8.285 -4.394 3.810 677 HD13 ILE 85 2HD1 ILE 85 9.317 -5.518 4.725 678 H ALA 86 H ALA 86 10.730 0.379 6.867 679 HA ALA 86 HA ALA 86 9.294 0.147 9.318 680 HB1 ALA 86 3HB ALA 86 11.386 0.811 9.871 681 HB2 ALA 86 1HB ALA 86 11.694 1.489 8.254 682 HB3 ALA 86 2HB ALA 86 10.820 2.450 9.471 683 H ASP 87 H ASP 87 9.063 2.083 6.375 684 HA ASP 87 HA ASP 87 7.554 4.137 7.617 685 HB2 ASP 87 1HB ASP 87 8.869 3.738 5.145 686 HB3 ASP 87 2HB ASP 87 7.173 3.838 4.715 687 HD2 ASP 87 HD ASP 87 9.727 5.631 4.854 688 H ILE 88 H ILE 88 7.008 0.996 6.063 689 HA ILE 88 HA ILE 88 4.175 1.497 5.714 690 HB ILE 88 HB ILE 88 5.858 0.159 4.192 691 HG12 ILE 88 1HG1 ILE 88 3.219 -1.197 4.465 692 HG13 ILE 88 2HG1 ILE 88 3.194 0.536 4.208 693 HG21 ILE 88 1HG2 ILE 88 6.603 -1.457 5.800 694 HG22 ILE 88 2HG2 ILE 88 4.929 -1.930 6.179 695 HG23 ILE 88 3HG2 ILE 88 5.616 -2.293 4.577 696 HD11 ILE 88 3HD1 ILE 88 3.226 -0.266 2.004 697 HD12 ILE 88 1HD1 ILE 88 4.958 0.013 2.301 698 HD13 ILE 88 2HD1 ILE 88 4.290 -1.633 2.411 699 H TYR 89 H TYR 89 6.287 -0.871 7.493 700 HA TYR 89 HA TYR 89 5.205 -0.619 9.949 701 HB2 TYR 89 1HB TYR 89 3.487 -2.546 9.880 702 HB3 TYR 89 2HB TYR 89 2.981 -1.119 8.997 703 HD1 TYR 89 1HD TYR 89 4.780 -4.364 8.436 704 HD2 TYR 89 2HD TYR 89 2.195 -1.363 6.818 705 HE1 TYR 89 1HE TYR 89 4.446 -5.768 6.343 706 HE2 TYR 89 2HE TYR 89 1.870 -2.777 4.731 707 HH TYR 89 HH TYR 89 3.364 -4.611 3.551 708 HA PRO 90 HA PRO 90 8.114 -3.784 10.455 709 HB2 PRO 90 2HB PRO 90 8.716 -2.993 12.531 710 HB3 PRO 90 1HB PRO 90 7.780 -4.359 13.106 711 HG2 PRO 90 1HG PRO 90 6.017 -3.014 13.739 712 HG3 PRO 90 2HG PRO 90 7.127 -1.670 13.555 713 HD2 PRO 90 1HD PRO 90 4.796 -2.201 11.970 714 HD3 PRO 90 2HD PRO 90 5.969 -0.924 11.714 715 H GLY 91 H GLY 91 8.391 -6.082 11.595 716 HA2 GLY 91 1HA GLY 91 7.684 -8.218 11.655 717 HA3 GLY 91 2HA GLY 91 6.033 -7.638 11.743 718 H GLN 92 H GLN 92 8.256 -9.351 9.849 719 HA GLN 92 HA GLN 92 6.750 -8.742 7.429 720 HB2 GLN 92 1HB GLN 92 9.040 -8.306 6.981 721 HB3 GLN 92 2HB GLN 92 9.586 -9.701 7.891 722 HG2 GLN 92 1HG GLN 92 7.773 -10.458 5.691 723 HG3 GLN 92 2HG GLN 92 9.179 -9.587 5.112 724 HE21 GLN 92 2HE2 GLN 92 10.144 -13.107 5.068 725 HE22 GLN 92 1HE2 GLN 92 9.074 -12.015 4.253 726 H THR 93 H THR 93 4.963 -10.139 7.839 727 HA THR 93 HA THR 93 5.555 -12.930 7.331 728 HB THR 93 HB THR 93 4.550 -13.748 9.358 729 HG1 THR 93 1HG THR 93 3.521 -12.033 10.765 730 HG21 THR 93 3HG2 THR 93 6.816 -12.769 9.843 731 HG22 THR 93 1HG2 THR 93 6.046 -11.195 10.158 732 HG23 THR 93 2HG2 THR 93 5.708 -12.580 11.224 733 H GLN 94 H GLN 94 3.717 -14.135 6.584 734 HA GLN 94 HA GLN 94 2.248 -13.006 4.744 735 HB2 GLN 94 1HB GLN 94 1.615 -15.281 6.622 736 HB3 GLN 94 2HB GLN 94 0.393 -14.779 5.472 737 HG2 GLN 94 1HG GLN 94 1.555 -15.605 3.672 738 HG3 GLN 94 2HG GLN 94 3.100 -15.043 4.280 739 HE21 GLN 94 2HE2 GLN 94 4.019 -17.986 5.941 740 HE22 GLN 94 1HE2 GLN 94 4.294 -16.292 5.708 741 H PHE 95 H PHE 95 0.189 -11.973 4.473 742 HA PHE 95 HA PHE 95 -1.400 -11.368 6.763 743 HB2 PHE 95 1HB PHE 95 0.774 -9.613 5.838 744 HB3 PHE 95 2HB PHE 95 -0.762 -8.803 5.601 745 HD1 PHE 95 2HD PHE 95 -2.291 -9.811 7.940 746 HD2 PHE 95 1HD PHE 95 1.729 -8.484 7.638 747 HE1 PHE 95 2HE PHE 95 -2.323 -9.162 10.365 748 HE2 PHE 95 1HE PHE 95 1.697 -7.836 10.062 749 HZ PHE 95 HZ PHE 95 -0.329 -8.182 11.397 750 H TYR 96 H TYR 96 -3.030 -9.415 5.953 751 HA TYR 96 HA TYR 96 -4.277 -10.562 3.639 752 HB2 TYR 96 1HB TYR 96 -4.847 -8.923 5.979 753 HB3 TYR 96 2HB TYR 96 -5.338 -7.995 4.575 754 HD1 TYR 96 2HD TYR 96 -5.575 -11.606 5.610 755 HD2 TYR 96 1HD TYR 96 -7.599 -8.144 4.120 756 HE1 TYR 96 2HE TYR 96 -7.751 -12.917 5.498 757 HE2 TYR 96 1HE TYR 96 -9.768 -9.466 4.014 758 HH TYR 96 HH TYR 96 -10.281 -12.215 5.614 759 H VAL 97 H VAL 97 -4.586 -9.627 1.601 760 HA VAL 97 HA VAL 97 -3.169 -7.096 1.159 761 HB VAL 97 HB VAL 97 -3.018 -9.651 -0.444 762 HG11 VAL 97 1HG1 VAL 97 -1.449 -7.327 -1.372 763 HG12 VAL 97 2HG1 VAL 97 -2.339 -8.560 -2.298 764 HG13 VAL 97 3HG1 VAL 97 -3.209 -7.177 -1.592 765 HG21 VAL 97 3HG2 VAL 97 -1.394 -8.565 1.607 766 HG22 VAL 97 1HG2 VAL 97 -1.060 -9.974 0.573 767 HG23 VAL 97 2HG2 VAL 97 -0.498 -8.358 0.082 768 H ILE 98 H ILE 98 -4.273 -5.611 -0.082 769 HA ILE 98 HA ILE 98 -6.726 -6.587 -1.363 770 HB ILE 98 HB ILE 98 -6.575 -3.929 0.023 771 HG12 ILE 98 1HG1 ILE 98 -6.022 -5.527 1.751 772 HG13 ILE 98 2HG1 ILE 98 -7.657 -4.944 1.986 773 HG21 ILE 98 1HG2 ILE 98 -9.106 -5.412 -0.112 774 HG22 ILE 98 2HG2 ILE 98 -8.737 -3.718 -0.515 775 HG23 ILE 98 3HG2 ILE 98 -8.414 -5.006 -1.701 776 HD11 ILE 98 3HD1 ILE 98 -8.541 -7.021 1.730 777 HD12 ILE 98 1HD1 ILE 98 -7.596 -7.319 0.251 778 HD13 ILE 98 2HD1 ILE 98 -6.872 -7.628 1.848 779 H GLU 99 H GLU 99 -6.932 -5.998 -3.470 780 HA GLU 99 HA GLU 99 -4.875 -4.220 -4.461 781 HB2 GLU 99 1HB GLU 99 -5.622 -6.628 -5.398 782 HB3 GLU 99 2HB GLU 99 -6.783 -5.662 -6.287 783 HG2 GLU 99 1HG GLU 99 -5.003 -4.317 -7.293 784 HG3 GLU 99 2HG GLU 99 -3.792 -5.055 -6.263 785 HE2 GLU 99 HE GLU 99 -3.081 -6.443 -9.033 786 H PHE 100 H PHE 100 -5.430 -2.490 -6.022 787 HA PHE 100 HA PHE 100 -8.228 -1.691 -5.981 788 HB2 PHE 100 1HB PHE 100 -7.522 0.592 -5.231 789 HB3 PHE 100 2HB PHE 100 -7.043 -0.597 -4.037 790 HD1 PHE 100 2HD PHE 100 -5.680 1.120 -7.059 791 HD2 PHE 100 1HD PHE 100 -4.876 -0.542 -3.238 792 HE1 PHE 100 2HE PHE 100 -3.308 1.929 -7.206 793 HE2 PHE 100 1HE PHE 100 -2.505 0.267 -3.385 794 HZ PHE 100 HZ PHE 100 -1.749 1.493 -5.367 795 H LYS 101 H LYS 101 -8.410 0.468 -7.390 796 HA LYS 101 HA LYS 101 -6.408 0.610 -9.456 797 HB2 LYS 101 1HB LYS 101 -7.511 -0.352 -11.180 798 HB3 LYS 101 2HB LYS 101 -8.223 -1.310 -9.898 799 HG2 LYS 101 1HG LYS 101 -10.173 0.220 -9.792 800 HG3 LYS 101 2HG LYS 101 -9.450 1.261 -11.003 801 HD2 LYS 101 1HD LYS 101 -9.516 -0.603 -12.661 802 HD3 LYS 101 2HD LYS 101 -10.204 -1.667 -11.451 803 HE2 LYS 101 1HE LYS 101 -12.100 -0.905 -12.658 804 HE3 LYS 101 2HE LYS 101 -12.107 0.094 -11.219 805 HZ1 LYS 101 2HZ LYS 101 -11.366 1.931 -12.416 806 HZ3 LYS 101 1HZ LYS 101 -12.297 1.213 -13.543 807 H CYS 102 H CYS 102 -6.581 2.559 -10.698 808 HA CYS 102 HA CYS 102 -8.161 4.546 -9.302 809 HB2 CYS 102 1HB CYS 102 -5.930 5.246 -9.546 810 HB3 CYS 102 2HB CYS 102 -5.821 4.678 -11.201 811 HG CYS 102 HG CYS 102 -7.205 6.421 -12.340 812 H LEU 103 H LEU 103 -9.991 5.483 -10.209 813 HA LEU 103 HA LEU 103 -11.118 4.280 -12.494 814 HB2 LEU 103 1HB LEU 103 -11.952 6.858 -11.169 815 HB3 LEU 103 2HB LEU 103 -12.935 5.796 -12.157 816 HG LEU 103 HG LEU 103 -11.731 4.652 -9.673 817 HD11 LEU 103 1HD1 LEU 103 -13.767 5.492 -8.402 818 HD12 LEU 103 2HD1 LEU 103 -12.478 6.676 -8.723 819 HD13 LEU 103 3HD1 LEU 103 -13.962 6.688 -9.706 820 HD21 LEU 103 3HD2 LEU 103 -13.082 3.322 -11.313 821 HD22 LEU 103 1HD2 LEU 103 -13.700 3.303 -9.644 822 HD23 LEU 103 2HD2 LEU 103 -14.489 4.320 -10.873 Start of MODEL 3 1 H1 MET 1 1H MET 1 -15.637 14.215 9.598 2 HA MET 1 HA MET 1 -16.804 16.062 7.719 3 HB2 MET 1 1HB MET 1 -14.126 15.716 9.115 4 HB3 MET 1 2HB MET 1 -14.192 16.714 7.676 5 HG2 MET 1 1HG MET 1 -15.985 18.112 8.718 6 HG3 MET 1 2HG MET 1 -15.944 17.106 10.152 7 HE1 MET 1 3HE MET 1 -14.226 20.031 11.756 8 HE2 MET 1 1HE MET 1 -15.310 20.400 10.394 9 HE3 MET 1 2HE MET 1 -15.706 19.073 11.511 10 H GLN 2 H GLN 2 -13.897 13.863 7.740 11 HA GLN 2 HA GLN 2 -14.598 12.518 5.457 12 HB2 GLN 2 1HB GLN 2 -14.070 15.034 4.643 13 HB3 GLN 2 2HB GLN 2 -12.423 14.435 4.662 14 HG2 GLN 2 1HG GLN 2 -13.068 13.863 2.488 15 HG3 GLN 2 2HG GLN 2 -13.430 12.373 3.337 16 HE21 GLN 2 2HE2 GLN 2 -16.280 14.322 1.327 17 HE22 GLN 2 1HE2 GLN 2 -14.570 14.560 1.190 18 HA PRO 3 HA PRO 3 -11.076 10.959 7.792 19 HB2 PRO 3 2HB PRO 3 -12.265 9.785 9.376 20 HB3 PRO 3 1HB PRO 3 -12.064 8.454 8.254 21 HG2 PRO 3 1HG PRO 3 -14.253 8.589 7.545 22 HG3 PRO 3 2HG PRO 3 -14.524 9.605 8.947 23 HD2 PRO 3 1HD PRO 3 -14.675 10.402 6.196 24 HD3 PRO 3 2HD PRO 3 -14.830 11.441 7.598 25 H ASN 4 H ASN 4 -9.613 8.997 7.473 26 HA ASN 4 HA ASN 4 -9.647 8.565 4.595 27 HB2 ASN 4 1HB ASN 4 -7.557 9.560 5.110 28 HB3 ASN 4 2HB ASN 4 -7.448 8.769 6.670 29 HD21 ASN 4 2HD2 ASN 4 -5.580 6.077 5.583 30 HD22 ASN 4 1HD2 ASN 4 -6.221 7.050 6.864 31 H ASP 5 H ASP 5 -8.834 6.323 3.896 32 HA ASP 5 HA ASP 5 -9.956 4.368 5.688 33 HB2 ASP 5 1HB ASP 5 -8.841 4.005 2.869 34 HB3 ASP 5 2HB ASP 5 -9.826 2.851 3.746 35 HD2 ASP 5 HD ASP 5 -12.088 3.246 2.238 36 H ILE 6 H ILE 6 -6.966 4.941 3.682 37 HA ILE 6 HA ILE 6 -5.277 3.986 5.752 38 HB ILE 6 HB ILE 6 -6.023 1.828 5.073 39 HG12 ILE 6 1HG1 ILE 6 -3.322 2.230 3.770 40 HG13 ILE 6 2HG1 ILE 6 -3.554 2.278 5.506 41 HG21 ILE 6 1HG2 ILE 6 -5.630 1.054 2.687 42 HG22 ILE 6 2HG2 ILE 6 -6.989 2.173 2.947 43 HG23 ILE 6 3HG2 ILE 6 -5.461 2.773 2.259 44 HD11 ILE 6 3HD1 ILE 6 -4.132 -0.060 3.637 45 HD12 ILE 6 1HD1 ILE 6 -2.922 0.016 4.940 46 HD13 ILE 6 2HD1 ILE 6 -4.656 -0.021 5.338 47 H THR 7 H THR 7 -2.924 4.015 4.973 48 HA THR 7 HA THR 7 -2.589 5.683 2.594 49 HB THR 7 HB THR 7 -0.941 7.032 4.190 50 HG1 THR 7 1HG THR 7 -1.593 5.327 5.893 51 HG21 THR 7 3HG2 THR 7 -3.354 8.025 5.231 52 HG22 THR 7 1HG2 THR 7 -2.586 8.562 3.717 53 HG23 THR 7 2HG2 THR 7 -3.842 7.300 3.680 54 H PHE 8 H PHE 8 -0.176 5.927 2.068 55 HA PHE 8 HA PHE 8 1.446 3.779 3.091 56 HB2 PHE 8 1HB PHE 8 1.038 3.944 0.084 57 HB3 PHE 8 2HB PHE 8 1.512 2.551 1.037 58 HD1 PHE 8 1HD PHE 8 -1.425 4.823 0.616 59 HD2 PHE 8 2HD PHE 8 -0.043 0.877 1.339 60 HE1 PHE 8 1HE PHE 8 -3.791 3.985 0.567 61 HE2 PHE 8 2HE PHE 8 -2.409 0.039 1.291 62 HZ PHE 8 HZ PHE 8 -4.254 1.604 0.905 63 H PHE 9 H PHE 9 3.694 3.854 2.120 64 HA PHE 9 HA PHE 9 4.863 6.236 2.348 65 HB2 PHE 9 1HB PHE 9 6.538 5.172 0.587 66 HB3 PHE 9 2HB PHE 9 6.238 4.289 2.071 67 HD1 PHE 9 2HD PHE 9 5.557 4.411 -1.533 68 HD2 PHE 9 1HD PHE 9 5.021 2.208 2.054 69 HE1 PHE 9 2HE PHE 9 4.827 2.415 -2.868 70 HE2 PHE 9 1HE PHE 9 4.291 0.212 0.719 71 HZ PHE 9 HZ PHE 9 4.202 0.340 -1.726 72 H GLN 10 H GLN 10 5.980 7.660 0.669 73 HA GLN 10 HA GLN 10 4.009 8.745 -0.978 74 HB2 GLN 10 1HB GLN 10 5.919 10.197 -1.810 75 HB3 GLN 10 2HB GLN 10 5.699 10.195 -0.071 76 HG2 GLN 10 1HG GLN 10 7.871 9.581 0.139 77 HG3 GLN 10 2HG GLN 10 7.449 8.027 -0.551 78 HE21 GLN 10 2HE2 GLN 10 10.083 8.959 -2.763 79 HE22 GLN 10 1HE2 GLN 10 9.725 8.208 -1.244 80 H ARG 11 H ARG 11 6.740 6.496 -1.533 81 HA ARG 11 HA ARG 11 6.929 6.650 -4.227 82 HB2 ARG 11 1HB ARG 11 7.008 3.992 -2.735 83 HB3 ARG 11 2HB ARG 11 7.954 4.460 -4.134 84 HG2 ARG 11 1HG ARG 11 8.857 6.385 -2.543 85 HG3 ARG 11 2HG ARG 11 8.269 5.353 -1.255 86 HD2 ARG 11 1HD ARG 11 10.602 4.785 -1.639 87 HD3 ARG 11 2HD ARG 11 9.634 3.446 -2.221 88 HE ARG 11 HE ARG 11 11.102 5.411 -3.899 89 HH11 ARG 11 2HH2 ARG 11 8.954 2.596 -3.754 90 HH12 ARG 11 1HH2 ARG 11 9.218 2.155 -5.408 91 HH21 ARG 11 1HH ARG 11 10.690 3.481 -6.757 92 H PHE 12 H PHE 12 4.261 5.531 -2.288 93 HA PHE 12 HA PHE 12 3.171 3.771 -4.264 94 HB2 PHE 12 1HB PHE 12 2.906 4.274 -1.519 95 HB3 PHE 12 2HB PHE 12 1.456 5.034 -2.146 96 HD1 PHE 12 2HD PHE 12 0.426 3.368 -4.172 97 HD2 PHE 12 1HD PHE 12 2.472 2.197 -0.643 98 HE1 PHE 12 2HE PHE 12 -0.709 1.131 -4.256 99 HE2 PHE 12 1HE PHE 12 1.337 -0.040 -0.727 100 HZ PHE 12 HZ PHE 12 -0.241 -0.546 -2.533 101 H GLN 13 H GLN 13 2.627 7.155 -3.135 102 HA GLN 13 HA GLN 13 0.350 7.558 -4.686 103 HB2 GLN 13 1HB GLN 13 2.109 9.120 -2.960 104 HB3 GLN 13 2HB GLN 13 1.656 10.059 -4.369 105 HG2 GLN 13 1HG GLN 13 -0.647 8.582 -3.299 106 HG3 GLN 13 2HG GLN 13 0.081 9.593 -2.067 107 HE21 GLN 13 2HE2 GLN 13 -1.713 11.199 -5.426 108 HE22 GLN 13 1HE2 GLN 13 -1.231 9.538 -5.336 109 H ASP 14 H ASP 14 3.866 8.068 -5.288 110 HA ASP 14 HA ASP 14 3.495 9.383 -7.721 111 HB2 ASP 14 1HB ASP 14 5.620 9.591 -6.620 112 HB3 ASP 14 2HB ASP 14 5.796 7.856 -6.452 113 HD2 ASP 14 HD ASP 14 7.771 8.529 -7.250 114 H ASP 15 H ASP 15 4.225 5.955 -6.761 115 HA ASP 15 HA ASP 15 4.460 4.960 -9.322 116 HB2 ASP 15 1HB ASP 15 5.156 3.733 -7.288 117 HB3 ASP 15 2HB ASP 15 3.492 3.625 -6.751 118 HD2 ASP 15 HD ASP 15 2.122 2.317 -8.068 119 H ILE 16 H ILE 16 1.674 5.699 -7.216 120 HA ILE 16 HA ILE 16 -0.237 4.170 -8.616 121 HB ILE 16 HB ILE 16 -0.261 6.346 -6.579 122 HG12 ILE 16 1HG1 ILE 16 -1.675 3.674 -6.585 123 HG13 ILE 16 2HG1 ILE 16 0.007 3.841 -6.122 124 HG21 ILE 16 1HG2 ILE 16 -2.874 5.987 -6.703 125 HG22 ILE 16 2HG2 ILE 16 -2.059 7.230 -7.682 126 HG23 ILE 16 3HG2 ILE 16 -2.519 5.677 -8.420 127 HD11 ILE 16 3HD1 ILE 16 -2.182 5.546 -4.867 128 HD12 ILE 16 1HD1 ILE 16 -1.716 3.957 -4.215 129 HD13 ILE 16 2HD1 ILE 16 -0.525 5.279 -4.272 130 H LEU 17 H LEU 17 0.835 7.619 -8.805 131 HA LEU 17 HA LEU 17 -1.012 8.412 -10.719 132 HB2 LEU 17 1HB LEU 17 -0.034 10.346 -10.353 133 HB3 LEU 17 2HB LEU 17 1.100 9.528 -9.296 134 HG LEU 17 HG LEU 17 2.403 9.074 -11.554 135 HD11 LEU 17 1HD1 LEU 17 2.041 10.471 -13.328 136 HD12 LEU 17 2HD1 LEU 17 0.370 10.269 -12.747 137 HD13 LEU 17 3HD1 LEU 17 1.287 11.737 -12.329 138 HD21 LEU 17 3HD2 LEU 17 2.779 10.696 -9.417 139 HD22 LEU 17 1HD2 LEU 17 3.903 10.569 -10.792 140 HD23 LEU 17 2HD2 LEU 17 2.717 11.896 -10.730 141 H ALA 18 H ALA 18 1.818 6.346 -10.930 142 HA ALA 18 HA ALA 18 2.132 6.700 -13.761 143 HB1 ALA 18 3HB ALA 18 3.238 4.363 -12.226 144 HB2 ALA 18 1HB ALA 18 3.993 5.341 -13.508 145 HB3 ALA 18 2HB ALA 18 3.847 5.994 -11.858 146 H GLY 19 H GLY 19 -0.326 5.421 -11.966 147 HA2 GLY 19 1HA GLY 19 -2.087 4.153 -12.611 148 HA3 GLY 19 2HA GLY 19 -1.314 3.864 -14.157 149 H ARG 20 H ARG 20 -1.217 1.676 -14.467 150 HA ARG 20 HA ARG 20 -1.038 -0.451 -14.023 151 HB2 ARG 20 1HB ARG 20 1.467 0.856 -13.490 152 HB3 ARG 20 2HB ARG 20 1.315 -0.431 -12.311 153 HG2 ARG 20 1HG ARG 20 1.744 -2.010 -13.882 154 HG3 ARG 20 2HG ARG 20 0.446 -1.420 -14.901 155 HD2 ARG 20 1HD ARG 20 1.873 0.117 -16.048 156 HD3 ARG 20 2HD ARG 20 3.094 0.067 -14.791 157 HE ARG 20 HE ARG 20 2.728 -2.570 -15.901 158 HH11 ARG 20 2HH2 ARG 20 4.173 0.573 -16.666 159 HH12 ARG 20 1HH2 ARG 20 5.363 -0.094 -17.733 160 HH21 ARG 20 1HH ARG 20 5.418 -2.462 -18.096 161 H LYS 21 H LYS 21 -2.802 -1.019 -12.676 162 HA LYS 21 HA LYS 21 -3.323 -0.376 -10.144 163 HB2 LYS 21 1HB LYS 21 -4.623 -2.378 -9.982 164 HB3 LYS 21 2HB LYS 21 -4.700 -1.813 -11.639 165 HG2 LYS 21 1HG LYS 21 -2.422 -3.633 -11.211 166 HG3 LYS 21 2HG LYS 21 -3.945 -4.388 -10.786 167 HD2 LYS 21 1HD LYS 21 -4.362 -2.940 -13.241 168 HD3 LYS 21 2HD LYS 21 -2.877 -3.853 -13.420 169 HE2 LYS 21 1HE LYS 21 -3.961 -5.941 -13.041 170 HE3 LYS 21 2HE LYS 21 -5.341 -5.194 -12.261 171 HZ1 LYS 21 2HZ LYS 21 -4.748 -5.360 -15.131 172 HZ3 LYS 21 1HZ LYS 21 -5.617 -4.085 -14.611 173 H THR 22 H THR 22 -2.925 -1.305 -8.018 174 HA THR 22 HA THR 22 -0.580 -3.020 -7.813 175 HB THR 22 HB THR 22 -0.793 -0.185 -6.675 176 HG1 THR 22 1HG THR 22 0.739 0.133 -8.282 177 HG21 THR 22 3HG2 THR 22 1.802 -1.402 -6.352 178 HG22 THR 22 1HG2 THR 22 0.719 -0.794 -5.077 179 HG23 THR 22 2HG2 THR 22 0.601 -2.488 -5.611 180 H ILE 23 H ILE 23 -0.472 -4.222 -5.899 181 HA ILE 23 HA ILE 23 -3.019 -4.256 -4.483 182 HB ILE 23 HB ILE 23 -1.053 -6.334 -3.872 183 HG12 ILE 23 1HG1 ILE 23 -1.737 -7.392 -6.227 184 HG13 ILE 23 2HG1 ILE 23 -1.740 -5.708 -6.712 185 HG21 ILE 23 1HG2 ILE 23 -2.900 -7.545 -3.531 186 HG22 ILE 23 2HG2 ILE 23 -3.772 -6.000 -3.674 187 HG23 ILE 23 3HG2 ILE 23 -3.618 -7.070 -5.088 188 HD11 ILE 23 3HD1 ILE 23 0.598 -5.869 -5.212 189 HD12 ILE 23 1HD1 ILE 23 0.537 -7.457 -6.015 190 HD13 ILE 23 2HD1 ILE 23 0.507 -5.967 -6.987 191 H THR 24 H THR 24 -2.986 -4.559 -2.084 192 HA THR 24 HA THR 24 -0.621 -3.294 -0.876 193 HB THR 24 HB THR 24 -2.176 -1.920 0.491 194 HG1 THR 24 1HG THR 24 -3.866 -3.709 0.222 195 HG21 THR 24 3HG2 THR 24 -2.170 -1.790 -2.476 196 HG22 THR 24 1HG2 THR 24 -3.620 -1.066 -1.741 197 HG23 THR 24 2HG2 THR 24 -2.004 -0.473 -1.291 198 H ILE 25 H ILE 25 -0.767 -3.530 1.638 199 HA ILE 25 HA ILE 25 -1.817 -6.208 2.218 200 HB ILE 25 HB ILE 25 0.896 -5.116 2.974 201 HG12 ILE 25 1HG1 ILE 25 1.452 -7.369 1.653 202 HG13 ILE 25 2HG1 ILE 25 -0.058 -6.987 0.849 203 HG21 ILE 25 1HG2 ILE 25 -0.481 -6.649 4.617 204 HG22 ILE 25 2HG2 ILE 25 0.045 -7.934 3.504 205 HG23 ILE 25 3HG2 ILE 25 1.254 -6.924 4.333 206 HD11 ILE 25 3HD1 ILE 25 0.776 -4.731 0.271 207 HD12 ILE 25 1HD1 ILE 25 2.291 -5.058 1.146 208 HD13 ILE 25 2HD1 ILE 25 1.896 -5.980 -0.324 209 H ARG 26 H ARG 26 -3.043 -6.320 4.041 210 HA ARG 26 HA ARG 26 -2.822 -4.032 5.827 211 HB2 ARG 26 1HB ARG 26 -5.467 -5.330 5.855 212 HB3 ARG 26 2HB ARG 26 -5.073 -3.630 5.689 213 HG2 ARG 26 1HG ARG 26 -4.703 -5.586 3.383 214 HG3 ARG 26 2HG ARG 26 -6.238 -4.792 3.676 215 HD2 ARG 26 1HD ARG 26 -3.570 -3.386 3.169 216 HD3 ARG 26 2HD ARG 26 -4.890 -3.520 2.024 217 HE ARG 26 HE ARG 26 -4.820 -1.798 4.435 218 HH11 ARG 26 2HH2 ARG 26 -6.726 -3.063 1.729 219 HH12 ARG 26 1HH2 ARG 26 -7.936 -1.828 1.842 220 HH21 ARG 26 1HH ARG 26 -7.734 -0.138 3.529 221 H ASP 27 H ASP 27 -4.026 -4.645 8.057 222 HA ASP 27 HA ASP 27 -2.853 -7.172 8.811 223 HB2 ASP 27 1HB ASP 27 -2.230 -5.433 10.303 224 HB3 ASP 27 2HB ASP 27 -3.828 -4.713 10.284 225 HD2 ASP 27 HD ASP 27 -3.197 -8.043 10.840 226 H GLU 28 H GLU 28 -4.155 -8.961 9.348 227 HA GLU 28 HA GLU 28 -6.730 -9.121 8.590 228 HB2 GLU 28 1HB GLU 28 -5.453 -11.113 9.062 229 HB3 GLU 28 2HB GLU 28 -5.215 -10.654 10.737 230 HG2 GLU 28 1HG GLU 28 -6.974 -12.391 10.538 231 HG3 GLU 28 2HG GLU 28 -7.635 -10.905 11.191 232 HE2 GLU 28 HE GLU 28 -9.560 -10.054 9.602 233 H SER 29 H SER 29 -5.470 -8.329 11.891 234 HA SER 29 HA SER 29 -7.936 -8.219 13.119 235 HB2 SER 29 1HB SER 29 -6.224 -8.209 14.667 236 HB3 SER 29 2HB SER 29 -5.184 -7.202 13.680 237 HG SER 29 HG SER 29 -6.133 -5.363 14.445 238 H GLU 30 H GLU 30 -6.355 -6.056 10.858 239 HA GLU 30 HA GLU 30 -8.452 -4.098 11.391 240 HB2 GLU 30 1HB GLU 30 -5.532 -3.709 10.687 241 HB3 GLU 30 2HB GLU 30 -6.704 -2.475 10.268 242 HG2 GLU 30 1HG GLU 30 -6.624 -3.594 13.089 243 HG3 GLU 30 2HG GLU 30 -5.478 -2.360 12.604 244 HE2 GLU 30 HE GLU 30 -8.452 -2.543 14.016 245 H SER 31 H SER 31 -8.487 -6.506 9.635 246 HA SER 31 HA SER 31 -8.622 -5.133 7.065 247 HB2 SER 31 1HB SER 31 -7.178 -7.411 7.699 248 HB3 SER 31 2HB SER 31 -8.653 -8.102 7.052 249 HG SER 31 HG SER 31 -8.065 -6.147 5.358 250 H HIS 32 H HIS 32 -10.781 -4.392 7.164 251 HA HIS 32 HA HIS 32 -12.752 -6.480 6.910 252 HB2 HIS 32 1HB HIS 32 -14.262 -5.276 8.567 253 HB3 HIS 32 2HB HIS 32 -12.974 -6.266 9.225 254 HD1 HIS 32 1HD HIS 32 -10.801 -4.923 10.129 255 HD2 HIS 32 2HD HIS 32 -14.214 -2.617 9.336 256 HE1 HIS 32 1HE HIS 32 -10.447 -2.692 11.316 257 H PHE 33 H PHE 33 -13.764 -5.981 5.037 258 HA PHE 33 HA PHE 33 -15.052 -3.538 4.661 259 HB2 PHE 33 1HB PHE 33 -12.320 -3.329 4.241 260 HB3 PHE 33 2HB PHE 33 -12.820 -3.864 2.649 261 HD1 PHE 33 2HD PHE 33 -14.636 -1.610 4.986 262 HD2 PHE 33 1HD PHE 33 -12.522 -1.969 1.324 263 HE1 PHE 33 2HE PHE 33 -15.266 0.746 4.391 264 HE2 PHE 33 1HE PHE 33 -13.152 0.387 0.729 265 HZ PHE 33 HZ PHE 33 -14.516 1.716 2.270 266 H LYS 34 H LYS 34 -14.515 -3.610 1.655 267 HA LYS 34 HA LYS 34 -15.240 -6.238 0.826 268 HB2 LYS 34 1HB LYS 34 -17.483 -5.489 -0.110 269 HB3 LYS 34 2HB LYS 34 -17.407 -5.798 1.613 270 HG2 LYS 34 1HG LYS 34 -17.857 -3.622 2.141 271 HG3 LYS 34 2HG LYS 34 -16.710 -3.007 0.967 272 HD2 LYS 34 1HD LYS 34 -18.699 -2.248 0.020 273 HD3 LYS 34 2HD LYS 34 -18.542 -3.787 -0.803 274 HE2 LYS 34 1HE LYS 34 -19.897 -4.690 1.334 275 HE3 LYS 34 2HE LYS 34 -20.410 -3.018 1.442 276 HZ1 LYS 34 2HZ LYS 34 -20.826 -3.433 -1.141 277 HZ3 LYS 34 1HZ LYS 34 -21.962 -3.794 -0.031 278 H THR 35 H THR 35 -15.163 -6.448 -1.487 279 HA THR 35 HA THR 35 -13.441 -4.520 -2.689 280 HB THR 35 HB THR 35 -14.936 -6.883 -3.935 281 HG1 THR 35 1HG THR 35 -12.373 -6.594 -2.530 282 HG21 THR 35 3HG2 THR 35 -12.214 -5.599 -4.514 283 HG22 THR 35 1HG2 THR 35 -12.880 -7.032 -5.334 284 HG23 THR 35 2HG2 THR 35 -13.655 -5.443 -5.547 285 H GLY 36 H GLY 36 -13.851 -3.430 -4.769 286 HA2 GLY 36 1HA GLY 36 -15.196 -2.333 -6.262 287 HA3 GLY 36 2HA GLY 36 -16.626 -2.936 -5.448 288 H ASP 37 H ASP 37 -15.085 -1.986 -2.803 289 HA ASP 37 HA ASP 37 -16.508 0.434 -2.661 290 HB2 ASP 37 1HB ASP 37 -14.866 -1.277 -0.885 291 HB3 ASP 37 2HB ASP 37 -14.703 0.429 -0.520 292 HD2 ASP 37 HD ASP 37 -17.082 0.006 1.620 293 H VAL 38 H VAL 38 -14.931 2.290 -1.353 294 HA VAL 38 HA VAL 38 -12.849 2.858 -3.339 295 HB VAL 38 HB VAL 38 -14.944 4.400 -2.050 296 HG11 VAL 38 1HG1 VAL 38 -12.125 5.523 -1.948 297 HG12 VAL 38 2HG1 VAL 38 -13.614 6.469 -1.716 298 HG13 VAL 38 3HG1 VAL 38 -13.189 5.182 -0.562 299 HG21 VAL 38 3HG2 VAL 38 -14.874 4.427 -4.393 300 HG22 VAL 38 1HG2 VAL 38 -14.212 6.014 -3.932 301 HG23 VAL 38 2HG2 VAL 38 -13.116 4.704 -4.434 302 H LEU 39 H LEU 39 -10.729 3.209 -2.706 303 HA LEU 39 HA LEU 39 -10.234 2.872 0.171 304 HB2 LEU 39 1HB LEU 39 -9.022 1.605 -2.225 305 HB3 LEU 39 2HB LEU 39 -7.934 2.037 -0.921 306 HG LEU 39 HG LEU 39 -10.383 0.274 -0.628 307 HD11 LEU 39 1HD1 LEU 39 -7.493 -0.606 -0.547 308 HD12 LEU 39 2HD1 LEU 39 -8.959 -1.613 -0.605 309 HD13 LEU 39 3HD1 LEU 39 -8.482 -0.652 -2.026 310 HD21 LEU 39 3HD2 LEU 39 -8.424 0.011 1.469 311 HD22 LEU 39 1HD2 LEU 39 -8.945 1.707 1.322 312 HD23 LEU 39 2HD2 LEU 39 -10.152 0.423 1.573 313 H ARG 40 H ARG 40 -9.870 4.903 0.938 314 HA ARG 40 HA ARG 40 -8.841 6.923 -0.670 315 HB2 ARG 40 1HB ARG 40 -10.017 6.725 1.872 316 HB3 ARG 40 2HB ARG 40 -8.392 7.270 2.238 317 HG2 ARG 40 1HG ARG 40 -8.789 9.353 1.402 318 HG3 ARG 40 2HG ARG 40 -9.502 8.716 -0.066 319 HD2 ARG 40 1HD ARG 40 -11.183 8.387 2.381 320 HD3 ARG 40 2HD ARG 40 -10.914 10.049 1.894 321 HE ARG 40 HE ARG 40 -11.577 8.708 -0.476 322 HH11 ARG 40 2HH2 ARG 40 -13.146 9.246 2.655 323 HH12 ARG 40 1HH2 ARG 40 -14.750 9.174 2.004 324 HH21 ARG 40 1HH ARG 40 -15.047 8.799 -0.345 325 H VAL 41 H VAL 41 -6.722 7.526 -1.122 326 HA VAL 41 HA VAL 41 -4.633 6.158 0.431 327 HB VAL 41 HB VAL 41 -4.951 5.347 -1.904 328 HG11 VAL 41 1HG1 VAL 41 -5.592 7.131 -3.230 329 HG12 VAL 41 2HG1 VAL 41 -4.409 8.242 -2.499 330 HG13 VAL 41 3HG1 VAL 41 -3.866 6.992 -3.643 331 HG21 VAL 41 3HG2 VAL 41 -2.548 5.457 -2.509 332 HG22 VAL 41 1HG2 VAL 41 -2.314 6.716 -1.273 333 HG23 VAL 41 2HG2 VAL 41 -2.806 5.075 -0.790 334 H GLY 42 H GLY 42 -2.538 7.392 0.527 335 HA2 GLY 42 1HA GLY 42 -2.583 10.198 -0.065 336 HA3 GLY 42 2HA GLY 42 -2.820 9.870 1.640 337 H ARG 43 H ARG 43 -0.960 9.972 2.808 338 HA ARG 43 HA ARG 43 1.358 8.688 1.654 339 HB2 ARG 43 1HB ARG 43 1.044 11.577 2.112 340 HB3 ARG 43 2HB ARG 43 2.394 10.942 3.032 341 HG2 ARG 43 1HG ARG 43 3.652 10.564 1.160 342 HG3 ARG 43 2HG ARG 43 2.305 9.870 0.280 343 HD2 ARG 43 1HD ARG 43 2.061 11.798 -0.891 344 HD3 ARG 43 2HD ARG 43 1.740 12.672 0.593 345 HE ARG 43 HE ARG 43 4.500 12.402 0.603 346 HH11 ARG 43 2HH2 ARG 43 2.175 13.692 -1.739 347 HH12 ARG 43 1HH2 ARG 43 3.295 14.830 -2.410 348 HH21 ARG 43 1HH ARG 43 5.525 14.937 -1.538 349 H PHE 44 H PHE 44 2.372 7.391 3.180 350 HA PHE 44 HA PHE 44 1.263 7.287 5.794 351 HB2 PHE 44 1HB PHE 44 2.362 5.483 4.138 352 HB3 PHE 44 2HB PHE 44 3.877 6.024 4.832 353 HD1 PHE 44 2HD PHE 44 3.872 6.078 7.504 354 HD2 PHE 44 1HD PHE 44 1.321 3.673 5.113 355 HE1 PHE 44 2HE PHE 44 3.550 4.503 9.432 356 HE2 PHE 44 1HE PHE 44 1.000 2.098 7.041 357 HZ PHE 44 HZ PHE 44 2.118 2.532 9.177 358 H GLU 45 H GLU 45 4.010 8.898 4.278 359 HA GLU 45 HA GLU 45 5.769 9.077 6.315 360 HB2 GLU 45 1HB GLU 45 5.343 10.354 3.830 361 HB3 GLU 45 2HB GLU 45 5.464 11.667 4.983 362 HG2 GLU 45 1HG GLU 45 7.583 10.498 5.893 363 HG3 GLU 45 2HG GLU 45 7.501 9.454 4.488 364 HE2 GLU 45 HE GLU 45 9.020 13.050 4.138 365 H ASP 46 H ASP 46 2.855 11.147 5.728 366 HA ASP 46 HA ASP 46 2.179 11.406 8.327 367 HB2 ASP 46 1HB ASP 46 3.464 13.013 9.284 368 HB3 ASP 46 2HB ASP 46 4.544 12.860 7.912 369 HD2 ASP 46 HD ASP 46 1.608 15.040 8.621 370 H ASP 47 H ASP 47 2.644 12.988 5.142 371 HA ASP 47 HA ASP 47 0.919 14.967 5.074 372 HB2 ASP 47 1HB ASP 47 1.992 13.091 3.176 373 HB3 ASP 47 2HB ASP 47 0.294 13.291 2.789 374 HD2 ASP 47 HD ASP 47 0.553 16.430 1.613 375 H GLY 48 H GLY 48 0.015 11.483 4.453 376 HA2 GLY 48 1HA GLY 48 -1.845 10.365 5.192 377 HA3 GLY 48 2HA GLY 48 -2.526 11.858 5.806 378 H TYR 49 H TYR 49 -4.583 11.198 4.796 379 HA TYR 49 HA TYR 49 -5.201 10.481 2.350 380 HB2 TYR 49 1HB TYR 49 -6.978 11.142 3.820 381 HB3 TYR 49 2HB TYR 49 -6.191 12.651 4.237 382 HD1 TYR 49 2HD TYR 49 -6.062 14.461 2.349 383 HD2 TYR 49 1HD TYR 49 -8.749 11.132 2.288 384 HE1 TYR 49 2HE TYR 49 -7.556 15.688 0.698 385 HE2 TYR 49 1HE TYR 49 -10.234 12.370 0.637 386 HH TYR 49 HH TYR 49 -10.335 14.083 -0.755 387 H PHE 50 H PHE 50 -5.271 11.227 0.226 388 HA PHE 50 HA PHE 50 -4.580 13.968 -0.313 389 HB2 PHE 50 1HB PHE 50 -2.504 12.192 -0.019 390 HB3 PHE 50 2HB PHE 50 -2.924 11.826 -1.680 391 HD1 PHE 50 1HD PHE 50 -3.110 13.897 -3.280 392 HD2 PHE 50 2HD PHE 50 -1.023 13.919 0.415 393 HE1 PHE 50 1HE PHE 50 -1.757 15.865 -4.055 394 HE2 PHE 50 2HE PHE 50 0.330 15.887 -0.361 395 HZ PHE 50 HZ PHE 50 -0.053 16.835 -2.586 396 H CYS 51 H CYS 51 -5.077 10.616 -1.581 397 HA CYS 51 HA CYS 51 -6.820 11.799 -3.596 398 HB2 CYS 51 1HB CYS 51 -4.793 9.638 -4.250 399 HB3 CYS 51 2HB CYS 51 -5.933 10.380 -5.355 400 HG CYS 51 HG CYS 51 -4.957 12.906 -4.498 401 H THR 52 H THR 52 -7.850 9.580 -4.780 402 HA THR 52 HA THR 52 -8.484 7.692 -2.626 403 HB THR 52 HB THR 52 -10.588 8.923 -4.463 404 HG1 THR 52 1HG THR 52 -10.537 10.629 -3.042 405 HG21 THR 52 3HG2 THR 52 -12.011 8.342 -2.393 406 HG22 THR 52 1HG2 THR 52 -11.412 6.944 -3.317 407 HG23 THR 52 2HG2 THR 52 -10.609 7.418 -1.801 408 H ILE 53 H ILE 53 -9.256 5.613 -3.352 409 HA ILE 53 HA ILE 53 -8.925 5.122 -6.199 410 HB ILE 53 HB ILE 53 -7.203 3.650 -6.058 411 HG12 ILE 53 1HG1 ILE 53 -8.256 3.073 -3.341 412 HG13 ILE 53 2HG1 ILE 53 -7.748 1.979 -4.612 413 HG21 ILE 53 1HG2 ILE 53 -5.398 4.677 -4.948 414 HG22 ILE 53 2HG2 ILE 53 -6.534 5.994 -5.325 415 HG23 ILE 53 3HG2 ILE 53 -6.448 5.339 -3.672 416 HD11 ILE 53 3HD1 ILE 53 -6.062 1.738 -2.964 417 HD12 ILE 53 1HD1 ILE 53 -5.331 2.857 -4.140 418 HD13 ILE 53 2HD1 ILE 53 -6.021 3.485 -2.623 419 H GLU 54 H GLU 54 -9.482 2.639 -6.584 420 HA GLU 54 HA GLU 54 -11.665 2.004 -4.758 421 HB2 GLU 54 1HB GLU 54 -12.005 2.867 -7.364 422 HB3 GLU 54 2HB GLU 54 -12.000 1.127 -7.576 423 HG2 GLU 54 1HG GLU 54 -13.880 0.815 -6.148 424 HG3 GLU 54 2HG GLU 54 -13.675 2.374 -5.375 425 HE2 GLU 54 HE GLU 54 -15.803 3.508 -6.341 426 H VAL 55 H VAL 55 -12.026 -0.245 -4.337 427 HA VAL 55 HA VAL 55 -9.677 -1.834 -4.622 428 HB VAL 55 HB VAL 55 -12.232 -3.049 -3.750 429 HG11 VAL 55 1HG1 VAL 55 -9.600 -2.852 -2.270 430 HG12 VAL 55 2HG1 VAL 55 -10.885 -4.073 -2.099 431 HG13 VAL 55 3HG1 VAL 55 -9.879 -4.038 -3.567 432 HG21 VAL 55 3HG2 VAL 55 -12.821 -1.078 -2.725 433 HG22 VAL 55 1HG2 VAL 55 -11.778 -1.781 -1.466 434 HG23 VAL 55 2HG2 VAL 55 -11.136 -0.529 -2.557 435 H THR 56 H THR 56 -9.507 -3.888 -5.731 436 HA THR 56 HA THR 56 -11.496 -4.225 -7.873 437 HB THR 56 HB THR 56 -9.495 -3.079 -8.783 438 HG1 THR 56 1HG THR 56 -10.589 -4.950 -9.892 439 HG21 THR 56 3HG2 THR 56 -7.778 -3.827 -7.135 440 HG22 THR 56 1HG2 THR 56 -7.996 -5.511 -7.670 441 HG23 THR 56 2HG2 THR 56 -7.307 -4.305 -8.784 442 H ALA 57 H ALA 57 -8.902 -5.702 -5.853 443 HA ALA 57 HA ALA 57 -10.514 -8.084 -5.672 444 HB1 ALA 57 3HB ALA 57 -9.341 -8.580 -7.727 445 HB2 ALA 57 1HB ALA 57 -7.789 -8.062 -7.026 446 HB3 ALA 57 2HB ALA 57 -8.590 -9.535 -6.427 447 H THR 58 H THR 58 -9.314 -9.712 -4.151 448 HA THR 58 HA THR 58 -7.440 -8.370 -2.372 449 HB THR 58 HB THR 58 -10.290 -9.194 -1.687 450 HG1 THR 58 1HG THR 58 -10.270 -7.003 -1.284 451 HG21 THR 58 3HG2 THR 58 -7.848 -9.014 0.135 452 HG22 THR 58 1HG2 THR 58 -9.488 -8.672 0.736 453 HG23 THR 58 2HG2 THR 58 -9.094 -10.285 0.097 454 H SER 59 H SER 59 -6.237 -9.804 -1.030 455 HA SER 59 HA SER 59 -6.764 -12.591 -1.286 456 HB2 SER 59 1HB SER 59 -4.039 -12.465 -2.056 457 HB3 SER 59 2HB SER 59 -5.389 -13.031 -3.020 458 HG SER 59 HG SER 59 -4.727 -11.397 -4.285 459 H THR 60 H THR 60 -4.910 -13.861 -0.066 460 HA THR 60 HA THR 60 -3.965 -12.147 2.139 461 HB THR 60 HB THR 60 -4.154 -14.619 3.260 462 HG1 THR 60 1HG THR 60 -5.119 -15.790 1.621 463 HG21 THR 60 3HG2 THR 60 -5.437 -12.560 4.009 464 HG22 THR 60 1HG2 THR 60 -6.615 -12.877 2.712 465 HG23 THR 60 2HG2 THR 60 -6.421 -14.043 4.043 466 H VAL 61 H VAL 61 -1.848 -11.773 1.958 467 HA VAL 61 HA VAL 61 -0.099 -14.039 1.751 468 HB VAL 61 HB VAL 61 0.591 -11.992 -0.246 469 HG11 VAL 61 1HG1 VAL 61 0.417 -14.889 -0.903 470 HG12 VAL 61 2HG1 VAL 61 1.710 -13.710 -1.230 471 HG13 VAL 61 3HG1 VAL 61 1.551 -14.430 0.390 472 HG21 VAL 61 3HG2 VAL 61 -0.949 -12.718 -1.953 473 HG22 VAL 61 1HG2 VAL 61 -1.682 -13.910 -0.853 474 HG23 VAL 61 2HG2 VAL 61 -1.886 -12.169 -0.543 475 H THR 62 H THR 62 2.306 -13.105 1.759 476 HA THR 62 HA THR 62 2.444 -11.445 4.055 477 HB THR 62 HB THR 62 4.791 -12.014 2.227 478 HG1 THR 62 1HG THR 62 4.601 -14.229 3.325 479 HG21 THR 62 3HG2 THR 62 5.119 -13.043 4.859 480 HG22 THR 62 1HG2 THR 62 5.863 -11.568 4.197 481 HG23 THR 62 2HG2 THR 62 4.312 -11.470 5.065 482 H LEU 63 H LEU 63 4.842 -9.921 3.190 483 HA LEU 63 HA LEU 63 3.349 -7.748 1.924 484 HB2 LEU 63 1HB LEU 63 5.285 -6.376 2.811 485 HB3 LEU 63 2HB LEU 63 4.144 -7.025 3.972 486 HG LEU 63 HG LEU 63 6.227 -8.943 3.712 487 HD11 LEU 63 1HD1 LEU 63 8.009 -7.744 3.104 488 HD12 LEU 63 2HD1 LEU 63 7.173 -6.194 3.363 489 HD13 LEU 63 3HD1 LEU 63 7.932 -7.036 4.735 490 HD21 LEU 63 3HD2 LEU 63 6.663 -7.822 6.133 491 HD22 LEU 63 1HD2 LEU 63 5.021 -7.222 5.797 492 HD23 LEU 63 2HD2 LEU 63 5.348 -8.972 5.788 493 H ASP 64 H ASP 64 6.828 -8.795 1.986 494 HA ASP 64 HA ASP 64 7.409 -7.703 -0.450 495 HB2 ASP 64 1HB ASP 64 8.823 -8.986 1.501 496 HB3 ASP 64 2HB ASP 64 8.780 -10.267 0.305 497 HD2 ASP 64 HD ASP 64 11.348 -9.727 -0.006 498 H THR 65 H THR 65 5.343 -10.316 0.296 499 HA THR 65 HA THR 65 5.929 -12.047 -1.889 500 HB THR 65 HB THR 65 3.479 -12.803 -1.160 501 HG1 THR 65 1HG THR 65 2.960 -10.895 0.028 502 HG21 THR 65 3HG2 THR 65 5.869 -12.817 0.756 503 HG22 THR 65 1HG2 THR 65 4.394 -13.785 0.994 504 HG23 THR 65 2HG2 THR 65 5.444 -14.092 -0.410 505 H LEU 66 H LEU 66 4.731 -8.902 -1.814 506 HA LEU 66 HA LEU 66 4.074 -8.978 -4.538 507 HB2 LEU 66 1HB LEU 66 1.656 -8.355 -4.293 508 HB3 LEU 66 2HB LEU 66 2.059 -10.043 -4.048 509 HG LEU 66 HG LEU 66 2.162 -9.190 -1.484 510 HD11 LEU 66 1HD1 LEU 66 0.532 -7.570 -0.963 511 HD12 LEU 66 2HD1 LEU 66 1.491 -6.872 -2.290 512 HD13 LEU 66 3HD1 LEU 66 -0.115 -7.564 -2.621 513 HD21 LEU 66 3HD2 LEU 66 -0.018 -10.192 -1.184 514 HD22 LEU 66 1HD2 LEU 66 -0.385 -9.995 -2.915 515 HD23 LEU 66 2HD2 LEU 66 0.902 -11.111 -2.399 516 H THR 67 H THR 67 3.700 -7.405 -1.327 517 HA THR 67 HA THR 67 3.231 -4.830 -2.015 518 HB THR 67 HB THR 67 3.785 -6.126 0.277 519 HG1 THR 67 1HG THR 67 3.009 -3.835 -0.275 520 HG21 THR 67 3HG2 THR 67 6.129 -4.368 0.461 521 HG22 THR 67 1HG2 THR 67 5.968 -6.068 0.964 522 HG23 THR 67 2HG2 THR 67 6.406 -5.674 -0.716 523 H GLU 68 H GLU 68 4.533 -2.932 -2.388 524 HA GLU 68 HA GLU 68 6.146 -3.152 -4.530 525 HB2 GLU 68 1HB GLU 68 5.646 -1.080 -2.453 526 HB3 GLU 68 2HB GLU 68 7.148 -0.878 -3.334 527 HG2 GLU 68 1HG GLU 68 5.386 -1.487 -5.388 528 HG3 GLU 68 2HG GLU 68 4.344 -0.606 -4.289 529 HE2 GLU 68 HE GLU 68 4.698 0.860 -6.372 530 H LYS 69 H LYS 69 6.911 -3.858 -1.183 531 HA LYS 69 HA LYS 69 9.600 -3.402 -1.055 532 HB2 LYS 69 1HB LYS 69 8.062 -4.204 0.768 533 HB3 LYS 69 2HB LYS 69 8.162 -5.814 0.084 534 HG2 LYS 69 1HG LYS 69 10.790 -5.398 0.227 535 HG3 LYS 69 2HG LYS 69 10.342 -4.177 1.401 536 HD2 LYS 69 1HD LYS 69 9.107 -5.880 2.732 537 HD3 LYS 69 2HD LYS 69 9.484 -7.107 1.539 538 HE2 LYS 69 1HE LYS 69 12.011 -6.251 2.032 539 HE3 LYS 69 2HE LYS 69 11.289 -5.806 3.565 540 HZ1 LYS 69 2HZ LYS 69 12.205 -8.182 3.303 541 HZ3 LYS 69 1HZ LYS 69 10.849 -8.511 2.464 542 H HIS 70 H HIS 70 7.817 -5.812 -2.939 543 HA HIS 70 HA HIS 70 10.073 -7.455 -3.422 544 HB2 HIS 70 1HB HIS 70 7.698 -8.201 -3.531 545 HB3 HIS 70 2HB HIS 70 7.477 -7.224 -4.969 546 HD1 HIS 70 1HD HIS 70 7.118 -9.068 -6.677 547 HD2 HIS 70 2HD HIS 70 10.613 -9.594 -4.418 548 HE1 HIS 70 1HE HIS 70 8.384 -11.001 -7.758 549 H ALA 71 H ALA 71 8.282 -4.988 -5.401 550 HA ALA 71 HA ALA 71 9.968 -5.078 -7.595 551 HB1 ALA 71 3HB ALA 71 8.030 -3.118 -6.403 552 HB2 ALA 71 1HB ALA 71 9.092 -2.560 -7.718 553 HB3 ALA 71 2HB ALA 71 7.996 -3.937 -7.983 554 H GLU 72 H GLU 72 10.080 -2.998 -4.628 555 HA GLU 72 HA GLU 72 12.345 -1.605 -5.454 556 HB2 GLU 72 1HB GLU 72 10.538 -1.436 -3.355 557 HB3 GLU 72 2HB GLU 72 11.998 -1.938 -2.527 558 HG2 GLU 72 1HG GLU 72 13.116 0.035 -2.993 559 HG3 GLU 72 2HG GLU 72 12.365 0.220 -4.566 560 HE2 GLU 72 HE GLU 72 11.938 2.443 -2.043 561 H GLN 73 H GLN 73 11.868 -4.576 -3.464 562 HA GLN 73 HA GLN 73 14.380 -4.893 -2.517 563 HB2 GLN 73 1HB GLN 73 12.922 -6.497 -1.708 564 HB3 GLN 73 2HB GLN 73 12.146 -6.741 -3.261 565 HG2 GLN 73 1HG GLN 73 13.960 -8.114 -4.070 566 HG3 GLN 73 2HG GLN 73 15.017 -7.626 -2.761 567 HE21 GLN 73 2HE2 GLN 73 12.346 -10.690 -2.382 568 HE22 GLN 73 1HE2 GLN 73 12.507 -9.719 -3.808 569 H GLU 74 H GLU 74 13.132 -5.511 -5.815 570 HA GLU 74 HA GLU 74 15.758 -6.497 -6.559 571 HB2 GLU 74 1HB GLU 74 13.117 -7.221 -7.313 572 HB3 GLU 74 2HB GLU 74 13.809 -6.456 -8.729 573 HG2 GLU 74 1HG GLU 74 15.806 -8.194 -7.539 574 HG3 GLU 74 2HG GLU 74 14.316 -9.097 -7.728 575 HE2 GLU 74 HE GLU 74 16.952 -8.143 -10.046 576 H ASN 75 H ASN 75 15.276 -3.662 -5.866 577 HA ASN 75 HA ASN 75 16.231 -2.578 -8.357 578 HB2 ASN 75 1HB ASN 75 13.560 -2.096 -7.408 579 HB3 ASN 75 2HB ASN 75 14.459 -0.620 -7.117 580 HD21 ASN 75 2HD2 ASN 75 12.921 -0.778 -10.586 581 HD22 ASN 75 1HD2 ASN 75 12.326 -1.121 -8.996 582 H MET 76 H MET 76 15.078 -1.654 -5.015 583 HA MET 76 HA MET 76 17.381 0.053 -4.742 584 HB2 MET 76 1HB MET 76 15.035 -0.537 -2.851 585 HB3 MET 76 2HB MET 76 16.218 0.733 -2.609 586 HG2 MET 76 1HG MET 76 14.286 0.528 -4.970 587 HG3 MET 76 2HG MET 76 14.137 1.638 -3.622 588 HE1 MET 76 3HE MET 76 14.472 1.402 -6.760 589 HE2 MET 76 1HE MET 76 15.000 3.061 -7.125 590 HE3 MET 76 2HE MET 76 16.112 1.696 -7.384 591 H THR 77 H THR 77 18.230 0.006 -2.224 592 HA THR 77 HA THR 77 19.349 -2.659 -1.958 593 HB THR 77 HB THR 77 20.907 -0.803 -1.858 594 HG1 THR 77 1HG THR 77 21.508 -1.083 0.482 595 HG21 THR 77 3HG2 THR 77 20.244 0.586 0.515 596 HG22 THR 77 1HG2 THR 77 20.147 1.235 -1.139 597 HG23 THR 77 2HG2 THR 77 18.713 0.497 -0.387 598 H LEU 78 H LEU 78 19.728 -3.303 0.512 599 HA LEU 78 HA LEU 78 17.158 -3.987 1.436 600 HB2 LEU 78 1HB LEU 78 19.970 -4.440 2.245 601 HB3 LEU 78 2HB LEU 78 18.771 -4.576 3.515 602 HG LEU 78 HG LEU 78 17.525 -6.212 2.034 603 HD11 LEU 78 1HD1 LEU 78 18.814 -5.398 -0.047 604 HD12 LEU 78 2HD1 LEU 78 20.099 -6.502 0.500 605 HD13 LEU 78 3HD1 LEU 78 18.479 -7.138 0.124 606 HD21 LEU 78 3HD2 LEU 78 20.291 -6.850 3.077 607 HD22 LEU 78 1HD2 LEU 78 18.726 -7.057 3.899 608 HD23 LEU 78 2HD2 LEU 78 19.144 -8.087 2.509 609 H THR 79 H THR 79 19.530 -1.439 2.277 610 HA THR 79 HA THR 79 18.374 -0.605 4.668 611 HB THR 79 HB THR 79 20.131 0.586 2.510 612 HG1 THR 79 1HG THR 79 20.254 0.306 5.427 613 HG21 THR 79 3HG2 THR 79 18.553 2.424 3.497 614 HG22 THR 79 1HG2 THR 79 19.364 2.096 5.047 615 HG23 THR 79 2HG2 THR 79 20.306 2.689 3.657 616 H GLU 80 H GLU 80 17.739 0.540 1.290 617 HA GLU 80 HA GLU 80 15.852 2.402 2.030 618 HB2 GLU 80 1HB GLU 80 16.867 1.220 -0.409 619 HB3 GLU 80 2HB GLU 80 15.122 1.321 -0.523 620 HG2 GLU 80 1HG GLU 80 15.346 3.764 0.301 621 HG3 GLU 80 2HG GLU 80 17.071 3.596 0.041 622 HE2 GLU 80 HE GLU 80 14.400 3.485 -2.906 623 H LEU 81 H LEU 81 15.489 -1.077 1.089 624 HA LEU 81 HA LEU 81 12.722 -1.163 1.158 625 HB2 LEU 81 1HB LEU 81 14.898 -3.194 1.538 626 HB3 LEU 81 2HB LEU 81 13.217 -3.644 1.748 627 HG LEU 81 HG LEU 81 14.573 -3.799 -0.593 628 HD11 LEU 81 1HD1 LEU 81 11.655 -3.548 0.053 629 HD12 LEU 81 2HD1 LEU 81 12.179 -3.696 -1.642 630 HD13 LEU 81 3HD1 LEU 81 12.593 -4.968 -0.468 631 HD21 LEU 81 3HD2 LEU 81 13.944 -2.040 -2.097 632 HD22 LEU 81 1HD2 LEU 81 12.999 -1.223 -0.829 633 HD23 LEU 81 2HD2 LEU 81 14.771 -1.315 -0.698 634 H LYS 82 H LYS 82 15.170 -1.373 3.771 635 HA LYS 82 HA LYS 82 13.277 -2.107 5.754 636 HB2 LYS 82 1HB LYS 82 16.004 -2.143 5.557 637 HB3 LYS 82 2HB LYS 82 15.766 -0.752 6.595 638 HG2 LYS 82 1HG LYS 82 15.214 -2.072 8.358 639 HG3 LYS 82 2HG LYS 82 13.976 -2.893 7.429 640 HD2 LYS 82 1HD LYS 82 15.659 -4.425 6.462 641 HD3 LYS 82 2HD LYS 82 16.953 -3.557 7.264 642 HE2 LYS 82 1HE LYS 82 15.125 -4.189 9.338 643 HE3 LYS 82 2HE LYS 82 15.171 -5.626 8.336 644 HZ1 LYS 82 2HZ LYS 82 17.192 -6.087 9.165 645 HZ3 LYS 82 1HZ LYS 82 17.119 -4.786 10.143 646 H LYS 83 H LYS 83 14.351 0.914 4.261 647 HA LYS 83 HA LYS 83 13.459 2.611 6.334 648 HB2 LYS 83 1HB LYS 83 14.946 2.889 4.027 649 HB3 LYS 83 2HB LYS 83 13.455 3.707 3.604 650 HG2 LYS 83 1HG LYS 83 14.906 4.240 6.232 651 HG3 LYS 83 2HG LYS 83 15.276 5.129 4.768 652 HD2 LYS 83 1HD LYS 83 12.972 5.960 4.613 653 HD3 LYS 83 2HD LYS 83 12.463 4.932 5.938 654 HE2 LYS 83 1HE LYS 83 13.156 6.445 7.489 655 HE3 LYS 83 2HE LYS 83 14.745 6.564 6.759 656 HZ1 LYS 83 2HZ LYS 83 13.962 8.228 5.266 657 HZ3 LYS 83 1HZ LYS 83 13.361 8.661 6.716 658 H VAL 84 H VAL 84 11.997 1.566 3.181 659 HA VAL 84 HA VAL 84 9.578 2.924 3.634 660 HB VAL 84 HB VAL 84 8.798 1.768 1.721 661 HG11 VAL 84 1HG1 VAL 84 11.313 1.715 0.480 662 HG12 VAL 84 2HG1 VAL 84 10.183 3.087 0.566 663 HG13 VAL 84 3HG1 VAL 84 11.466 2.913 1.787 664 HG21 VAL 84 3HG2 VAL 84 9.382 -0.523 2.454 665 HG22 VAL 84 1HG2 VAL 84 9.859 -0.208 0.768 666 HG23 VAL 84 2HG2 VAL 84 11.087 -0.200 2.056 667 H ILE 85 H ILE 85 10.698 -0.450 4.270 668 HA ILE 85 HA ILE 85 8.261 -1.475 5.088 669 HB ILE 85 HB ILE 85 11.128 -2.136 5.650 670 HG12 ILE 85 1HG1 ILE 85 9.772 -2.608 3.459 671 HG13 ILE 85 2HG1 ILE 85 10.858 -3.818 4.113 672 HG21 ILE 85 1HG2 ILE 85 8.710 -3.239 7.044 673 HG22 ILE 85 2HG2 ILE 85 10.091 -4.301 6.681 674 HG23 ILE 85 3HG2 ILE 85 10.323 -2.853 7.689 675 HD11 ILE 85 3HD1 ILE 85 8.206 -4.264 3.491 676 HD12 ILE 85 1HD1 ILE 85 9.155 -5.255 4.624 677 HD13 ILE 85 2HD1 ILE 85 8.114 -3.949 5.240 678 H ALA 86 H ALA 86 10.753 0.413 6.868 679 HA ALA 86 HA ALA 86 9.444 0.134 9.372 680 HB1 ALA 86 3HB ALA 86 11.026 2.320 9.661 681 HB2 ALA 86 1HB ALA 86 11.645 0.651 9.712 682 HB3 ALA 86 2HB ALA 86 11.765 1.600 8.211 683 H ASP 87 H ASP 87 9.171 2.287 6.565 684 HA ASP 87 HA ASP 87 7.783 4.298 7.972 685 HB2 ASP 87 1HB ASP 87 8.910 3.958 5.404 686 HB3 ASP 87 2HB ASP 87 7.193 4.119 5.093 687 HD2 ASP 87 HD ASP 87 9.285 7.333 5.829 688 H ILE 88 H ILE 88 7.019 1.228 6.385 689 HA ILE 88 HA ILE 88 4.177 1.845 6.305 690 HB ILE 88 HB ILE 88 5.694 0.578 4.533 691 HG12 ILE 88 1HG1 ILE 88 2.966 -0.584 4.930 692 HG13 ILE 88 2HG1 ILE 88 3.100 1.150 4.717 693 HG21 ILE 88 1HG2 ILE 88 5.274 -1.887 4.732 694 HG22 ILE 88 2HG2 ILE 88 6.443 -1.227 5.901 695 HG23 ILE 88 3HG2 ILE 88 4.783 -1.606 6.420 696 HD11 ILE 88 3HD1 ILE 88 4.761 0.343 2.714 697 HD12 ILE 88 1HD1 ILE 88 3.657 -1.052 2.775 698 HD13 ILE 88 2HD1 ILE 88 3.012 0.582 2.488 699 H TYR 89 H TYR 89 6.376 -0.720 7.651 700 HA TYR 89 HA TYR 89 5.639 -0.683 10.213 701 HB2 TYR 89 1HB TYR 89 3.745 -2.477 10.179 702 HB3 TYR 89 2HB TYR 89 3.270 -0.881 9.632 703 HD1 TYR 89 1HD TYR 89 4.774 -3.987 8.134 704 HD2 TYR 89 2HD TYR 89 1.937 -0.809 7.743 705 HE1 TYR 89 1HE TYR 89 3.959 -4.976 5.938 706 HE2 TYR 89 2HE TYR 89 1.131 -1.809 5.548 707 HH TYR 89 HH TYR 89 2.152 -4.957 4.519 708 HA PRO 90 HA PRO 90 8.082 -4.251 10.141 709 HB2 PRO 90 2HB PRO 90 8.616 -4.054 12.372 710 HB3 PRO 90 1HB PRO 90 7.546 -5.431 12.547 711 HG2 PRO 90 1HG PRO 90 5.856 -4.135 13.428 712 HG3 PRO 90 2HG PRO 90 7.073 -2.891 13.632 713 HD2 PRO 90 1HD PRO 90 4.809 -2.804 11.874 714 HD3 PRO 90 2HD PRO 90 6.088 -1.613 11.994 715 H GLY 91 H GLY 91 5.752 -5.930 12.074 716 HA2 GLY 91 1HA GLY 91 4.934 -8.026 11.664 717 HA3 GLY 91 2HA GLY 91 4.057 -7.124 10.444 718 H GLN 92 H GLN 92 6.767 -9.327 11.081 719 HA GLN 92 HA GLN 92 7.281 -9.458 8.225 720 HB2 GLN 92 1HB GLN 92 8.975 -9.509 10.498 721 HB3 GLN 92 2HB GLN 92 9.008 -11.145 9.871 722 HG2 GLN 92 1HG GLN 92 9.203 -9.682 7.532 723 HG3 GLN 92 2HG GLN 92 10.041 -8.629 8.654 724 HE21 GLN 92 2HE2 GLN 92 12.984 -10.401 8.333 725 HE22 GLN 92 1HE2 GLN 92 12.123 -8.900 8.413 726 H THR 93 H THR 93 4.825 -10.483 8.758 727 HA THR 93 HA THR 93 5.235 -13.301 8.234 728 HB THR 93 HB THR 93 3.902 -14.072 10.099 729 HG1 THR 93 1HG THR 93 2.299 -12.460 10.224 730 HG21 THR 93 3HG2 THR 93 6.223 -13.358 10.822 731 HG22 THR 93 1HG2 THR 93 5.569 -11.744 11.190 732 HG23 THR 93 2HG2 THR 93 5.010 -13.161 12.111 733 H GLN 94 H GLN 94 3.404 -14.321 7.239 734 HA GLN 94 HA GLN 94 2.248 -12.991 5.299 735 HB2 GLN 94 1HB GLN 94 2.006 -15.514 6.229 736 HB3 GLN 94 2HB GLN 94 0.431 -14.920 6.716 737 HG2 GLN 94 1HG GLN 94 0.462 -13.940 4.185 738 HG3 GLN 94 2HG GLN 94 1.552 -15.291 3.951 739 HE21 GLN 94 2HE2 GLN 94 -0.822 -17.850 4.361 740 HE22 GLN 94 1HE2 GLN 94 0.854 -17.411 4.368 741 H PHE 95 H PHE 95 0.167 -11.951 4.863 742 HA PHE 95 HA PHE 95 -1.486 -11.245 7.091 743 HB2 PHE 95 1HB PHE 95 0.549 -9.413 5.773 744 HB3 PHE 95 2HB PHE 95 -0.998 -8.705 6.193 745 HD1 PHE 95 1HD PHE 95 -1.773 -9.464 8.709 746 HD2 PHE 95 2HD PHE 95 2.219 -9.102 7.316 747 HE1 PHE 95 1HE PHE 95 -0.980 -9.130 11.067 748 HE2 PHE 95 2HE PHE 95 3.012 -8.769 9.674 749 HZ PHE 95 HZ PHE 95 1.403 -8.787 11.521 750 H TYR 96 H TYR 96 -3.059 -9.298 6.151 751 HA TYR 96 HA TYR 96 -4.292 -10.537 3.880 752 HB2 TYR 96 1HB TYR 96 -4.824 -8.673 6.087 753 HB3 TYR 96 2HB TYR 96 -5.350 -7.925 4.592 754 HD1 TYR 96 1HD TYR 96 -5.583 -11.275 6.284 755 HD2 TYR 96 2HD TYR 96 -7.553 -8.268 3.965 756 HE1 TYR 96 1HE TYR 96 -7.742 -12.616 6.366 757 HE2 TYR 96 2HE TYR 96 -9.705 -9.619 4.054 758 HH TYR 96 HH TYR 96 -10.186 -12.101 6.207 759 H VAL 97 H VAL 97 -4.737 -9.551 1.832 760 HA VAL 97 HA VAL 97 -3.181 -7.144 1.257 761 HB VAL 97 HB VAL 97 -3.067 -9.768 -0.238 762 HG11 VAL 97 1HG1 VAL 97 -3.179 -7.393 -1.511 763 HG12 VAL 97 2HG1 VAL 97 -1.436 -7.454 -1.151 764 HG13 VAL 97 3HG1 VAL 97 -2.199 -8.764 -2.084 765 HG21 VAL 97 3HG2 VAL 97 -1.310 -10.108 1.110 766 HG22 VAL 97 1HG2 VAL 97 -0.488 -8.825 0.190 767 HG23 VAL 97 2HG2 VAL 97 -1.337 -8.430 1.704 768 H ILE 98 H ILE 98 -4.323 -5.675 0.071 769 HA ILE 98 HA ILE 98 -6.747 -6.686 -1.245 770 HB ILE 98 HB ILE 98 -6.576 -3.968 0.015 771 HG12 ILE 98 1HG1 ILE 98 -6.023 -5.588 1.782 772 HG13 ILE 98 2HG1 ILE 98 -7.573 -4.816 2.049 773 HG21 ILE 98 1HG2 ILE 98 -8.644 -3.754 -0.753 774 HG22 ILE 98 2HG2 ILE 98 -8.479 -5.328 -1.568 775 HG23 ILE 98 3HG2 ILE 98 -9.149 -5.244 0.079 776 HD11 ILE 98 3HD1 ILE 98 -6.954 -7.663 1.436 777 HD12 ILE 98 1HD1 ILE 98 -8.303 -6.966 2.365 778 HD13 ILE 98 2HD1 ILE 98 -8.370 -6.998 0.587 779 H GLU 99 H GLU 99 -6.893 -6.224 -3.383 780 HA GLU 99 HA GLU 99 -4.824 -4.492 -4.426 781 HB2 GLU 99 1HB GLU 99 -5.541 -6.943 -5.254 782 HB3 GLU 99 2HB GLU 99 -6.704 -6.036 -6.201 783 HG2 GLU 99 1HG GLU 99 -4.962 -4.770 -7.311 784 HG3 GLU 99 2HG GLU 99 -3.741 -5.323 -6.181 785 HE2 GLU 99 HE GLU 99 -3.595 -7.343 -9.259 786 H PHE 100 H PHE 100 -5.296 -2.727 -5.886 787 HA PHE 100 HA PHE 100 -8.088 -2.020 -6.200 788 HB2 PHE 100 1HB PHE 100 -7.814 0.090 -5.040 789 HB3 PHE 100 2HB PHE 100 -7.055 -1.084 -3.982 790 HD1 PHE 100 1HD PHE 100 -6.251 1.328 -6.702 791 HD2 PHE 100 2HD PHE 100 -4.862 -0.757 -3.277 792 HE1 PHE 100 1HE PHE 100 -4.121 2.655 -6.758 793 HE2 PHE 100 2HE PHE 100 -2.732 0.570 -3.333 794 HZ PHE 100 HZ PHE 100 -2.387 2.260 -5.073 795 H LYS 101 H LYS 101 -8.301 -0.011 -7.638 796 HA LYS 101 HA LYS 101 -5.954 0.266 -9.369 797 HB2 LYS 101 1HB LYS 101 -7.250 0.000 -11.346 798 HB3 LYS 101 2HB LYS 101 -7.574 -1.387 -10.326 799 HG2 LYS 101 1HG LYS 101 -9.752 -0.689 -9.813 800 HG3 LYS 101 2HG LYS 101 -9.379 1.009 -10.032 801 HD2 LYS 101 1HD LYS 101 -8.970 0.239 -12.576 802 HD3 LYS 101 2HD LYS 101 -10.032 -1.076 -12.114 803 HE2 LYS 101 1HE LYS 101 -10.787 1.811 -11.524 804 HE3 LYS 101 2HE LYS 101 -11.102 1.107 -13.097 805 HZ1 LYS 101 2HZ LYS 101 -12.635 0.791 -10.801 806 HZ3 LYS 101 1HZ LYS 101 -11.980 -0.674 -11.080 807 H CYS 102 H CYS 102 -5.914 2.305 -10.586 808 HA CYS 102 HA CYS 102 -7.157 4.383 -9.000 809 HB2 CYS 102 1HB CYS 102 -4.846 4.758 -9.326 810 HB3 CYS 102 2HB CYS 102 -4.920 4.356 -11.030 811 HG CYS 102 HG CYS 102 -5.837 6.421 -11.936 812 H LEU 103 H LEU 103 -9.261 4.806 -9.637 813 HA LEU 103 HA LEU 103 -11.038 5.020 -10.965 814 HB2 LEU 103 1HB LEU 103 -9.166 6.633 -12.692 815 HB3 LEU 103 2HB LEU 103 -10.895 6.839 -12.496 816 HG LEU 103 HG LEU 103 -9.149 7.113 -10.078 817 HD11 LEU 103 1HD1 LEU 103 -8.087 8.397 -11.998 818 HD12 LEU 103 2HD1 LEU 103 -9.543 9.421 -11.987 819 HD13 LEU 103 3HD1 LEU 103 -8.506 9.333 -10.543 820 HD21 LEU 103 3HD2 LEU 103 -10.957 9.084 -9.908 821 HD22 LEU 103 1HD2 LEU 103 -11.851 7.970 -10.971 822 HD23 LEU 103 2HD2 LEU 103 -11.282 7.416 -9.378 Start of MODEL 4 1 H1 MET 1 1H MET 1 -9.442 16.519 9.754 2 HA MET 1 HA MET 1 -11.752 15.350 10.829 3 HB2 MET 1 1HB MET 1 -10.993 17.325 8.815 4 HB3 MET 1 2HB MET 1 -12.213 16.268 8.132 5 HG2 MET 1 1HG MET 1 -13.866 17.040 9.542 6 HG3 MET 1 2HG MET 1 -12.790 17.138 10.922 7 HE1 MET 1 3HE MET 1 -11.953 20.437 11.452 8 HE2 MET 1 1HE MET 1 -13.703 20.127 11.541 9 HE3 MET 1 2HE MET 1 -12.549 18.842 11.970 10 H GLN 2 H GLN 2 -12.788 13.444 10.348 11 HA GLN 2 HA GLN 2 -13.223 11.522 9.439 12 HB2 GLN 2 1HB GLN 2 -13.210 13.304 7.283 13 HB3 GLN 2 2HB GLN 2 -12.200 11.992 6.712 14 HG2 GLN 2 1HG GLN 2 -14.083 10.815 6.261 15 HG3 GLN 2 2HG GLN 2 -14.371 10.700 7.986 16 HE21 GLN 2 2HE2 GLN 2 -16.782 13.293 8.181 17 HE22 GLN 2 1HE2 GLN 2 -15.539 12.442 9.035 18 HA PRO 3 HA PRO 3 -9.378 9.478 9.669 19 HB2 PRO 3 2HB PRO 3 -10.197 7.960 11.195 20 HB3 PRO 3 1HB PRO 3 -10.290 6.905 9.799 21 HG2 PRO 3 1HG PRO 3 -12.580 7.127 9.656 22 HG3 PRO 3 2HG PRO 3 -12.497 7.813 11.267 23 HD2 PRO 3 1HD PRO 3 -13.259 9.174 8.860 24 HD3 PRO 3 2HD PRO 3 -13.065 9.885 10.449 25 H ASN 4 H ASN 4 -8.128 7.580 8.624 26 HA ASN 4 HA ASN 4 -8.675 7.938 5.800 27 HB2 ASN 4 1HB ASN 4 -6.402 8.459 6.159 28 HB3 ASN 4 2HB ASN 4 -6.228 7.288 7.451 29 HD21 ASN 4 2HD2 ASN 4 -5.199 4.621 5.475 30 HD22 ASN 4 1HD2 ASN 4 -5.624 5.239 7.037 31 H ASP 5 H ASP 5 -8.388 5.937 4.377 32 HA ASP 5 HA ASP 5 -9.530 3.672 5.747 33 HB2 ASP 5 1HB ASP 5 -9.020 4.180 2.777 34 HB3 ASP 5 2HB ASP 5 -9.892 2.803 3.420 35 HD2 ASP 5 HD ASP 5 -12.127 5.078 2.083 36 H ILE 6 H ILE 6 -6.855 4.504 3.416 37 HA ILE 6 HA ILE 6 -5.157 2.549 4.688 38 HB ILE 6 HB ILE 6 -6.278 1.126 3.138 39 HG12 ILE 6 1HG1 ILE 6 -3.615 1.810 1.875 40 HG13 ILE 6 2HG1 ILE 6 -3.748 1.014 3.431 41 HG21 ILE 6 1HG2 ILE 6 -6.346 1.548 0.729 42 HG22 ILE 6 2HG2 ILE 6 -7.196 2.821 1.637 43 HG23 ILE 6 3HG2 ILE 6 -5.572 3.131 0.978 44 HD11 ILE 6 3HD1 ILE 6 -3.756 -0.902 2.176 45 HD12 ILE 6 1HD1 ILE 6 -5.479 -0.521 1.945 46 HD13 ILE 6 2HD1 ILE 6 -4.290 -0.051 0.707 47 H THR 7 H THR 7 -2.961 3.063 4.467 48 HA THR 7 HA THR 7 -2.497 5.659 3.177 49 HB THR 7 HB THR 7 -0.370 5.421 4.729 50 HG1 THR 7 1HG THR 7 -0.725 3.175 5.235 51 HG21 THR 7 3HG2 THR 7 -3.206 6.034 5.455 52 HG22 THR 7 1HG2 THR 7 -2.144 5.640 6.829 53 HG23 THR 7 2HG2 THR 7 -1.734 6.992 5.745 54 H PHE 8 H PHE 8 -0.115 5.905 2.380 55 HA PHE 8 HA PHE 8 1.038 3.523 1.319 56 HB2 PHE 8 1HB PHE 8 -0.189 5.640 -0.546 57 HB3 PHE 8 2HB PHE 8 0.641 4.186 -1.065 58 HD1 PHE 8 2HD PHE 8 -0.417 1.931 -0.380 59 HD2 PHE 8 1HD PHE 8 -2.503 5.624 -0.259 60 HE1 PHE 8 2HE PHE 8 -2.602 0.697 -0.421 61 HE2 PHE 8 1HE PHE 8 -4.689 4.390 -0.300 62 HZ PHE 8 HZ PHE 8 -4.712 1.941 -0.381 63 H PHE 9 H PHE 9 3.206 3.876 1.346 64 HA PHE 9 HA PHE 9 4.334 6.266 2.045 65 HB2 PHE 9 1HB PHE 9 5.303 3.874 1.983 66 HB3 PHE 9 2HB PHE 9 5.480 4.047 0.248 67 HD1 PHE 9 2HD PHE 9 6.151 6.705 2.734 68 HD2 PHE 9 1HD PHE 9 7.827 3.846 0.083 69 HE1 PHE 9 2HE PHE 9 8.419 7.727 3.067 70 HE2 PHE 9 1HE PHE 9 10.095 4.868 0.416 71 HZ PHE 9 HZ PHE 9 10.364 6.796 1.904 72 H GLN 10 H GLN 10 5.894 7.648 0.765 73 HA GLN 10 HA GLN 10 4.615 8.918 -1.253 74 HB2 GLN 10 1HB GLN 10 6.414 10.038 -0.169 75 HB3 GLN 10 2HB GLN 10 7.544 8.738 -0.490 76 HG2 GLN 10 1HG GLN 10 8.101 9.593 -2.525 77 HG3 GLN 10 2HG GLN 10 6.422 9.773 -2.993 78 HE21 GLN 10 2HE2 GLN 10 6.971 13.213 -3.044 79 HE22 GLN 10 1HE2 GLN 10 6.658 11.752 -3.920 80 H ARG 11 H ARG 11 7.142 6.333 -1.496 81 HA ARG 11 HA ARG 11 7.433 6.358 -4.195 82 HB2 ARG 11 1HB ARG 11 7.423 3.900 -2.369 83 HB3 ARG 11 2HB ARG 11 8.184 3.985 -3.946 84 HG2 ARG 11 1HG ARG 11 9.172 6.231 -2.485 85 HG3 ARG 11 2HG ARG 11 9.210 4.881 -1.368 86 HD2 ARG 11 1HD ARG 11 11.311 4.758 -2.482 87 HD3 ARG 11 2HD ARG 11 10.345 3.531 -3.277 88 HE ARG 11 HE ARG 11 10.033 6.058 -4.635 89 HH11 ARG 11 2HH2 ARG 11 12.346 3.406 -4.220 90 HH12 ARG 11 1HH2 ARG 11 13.111 3.669 -5.751 91 HH21 ARG 11 1HH ARG 11 12.328 5.438 -7.167 92 H PHE 12 H PHE 12 5.071 4.490 -2.168 93 HA PHE 12 HA PHE 12 3.869 3.140 -4.294 94 HB2 PHE 12 1HB PHE 12 3.292 3.926 -1.429 95 HB3 PHE 12 2HB PHE 12 1.906 3.405 -2.366 96 HD1 PHE 12 1HD PHE 12 2.083 1.117 -3.546 97 HD2 PHE 12 2HD PHE 12 4.692 2.348 -0.434 98 HE1 PHE 12 1HE PHE 12 2.684 -1.279 -3.101 99 HE2 PHE 12 2HE PHE 12 5.293 -0.049 0.011 100 HZ PHE 12 HZ PHE 12 4.281 -1.833 -1.328 101 H GLN 13 H GLN 13 3.241 6.344 -2.781 102 HA GLN 13 HA GLN 13 0.802 6.794 -3.990 103 HB2 GLN 13 1HB GLN 13 2.716 8.261 -2.408 104 HB3 GLN 13 2HB GLN 13 2.225 9.282 -3.745 105 HG2 GLN 13 1HG GLN 13 -0.069 7.859 -2.569 106 HG3 GLN 13 2HG GLN 13 0.777 8.817 -1.371 107 HE21 GLN 13 2HE2 GLN 13 -1.301 11.444 -2.390 108 HE22 GLN 13 1HE2 GLN 13 -0.945 10.238 -1.199 109 H ASP 14 H ASP 14 4.165 7.636 -5.049 110 HA ASP 14 HA ASP 14 3.465 9.012 -7.306 111 HB2 ASP 14 1HB ASP 14 5.756 8.996 -6.514 112 HB3 ASP 14 2HB ASP 14 5.861 7.252 -6.645 113 HD2 ASP 14 HD ASP 14 7.556 7.903 -9.577 114 H ASP 15 H ASP 15 4.096 5.484 -6.746 115 HA ASP 15 HA ASP 15 3.884 4.704 -9.385 116 HB2 ASP 15 1HB ASP 15 4.318 3.484 -6.894 117 HB3 ASP 15 2HB ASP 15 2.811 2.765 -7.426 118 HD2 ASP 15 HD ASP 15 5.342 3.101 -10.126 119 H ILE 16 H ILE 16 1.508 5.509 -6.869 120 HA ILE 16 HA ILE 16 -0.696 4.194 -8.083 121 HB ILE 16 HB ILE 16 -0.324 6.201 -5.890 122 HG12 ILE 16 1HG1 ILE 16 -1.763 3.570 -5.709 123 HG13 ILE 16 2HG1 ILE 16 -0.012 3.593 -5.772 124 HG21 ILE 16 1HG2 ILE 16 -2.301 7.068 -6.753 125 HG22 ILE 16 2HG2 ILE 16 -2.899 5.473 -7.269 126 HG23 ILE 16 3HG2 ILE 16 -2.866 5.894 -5.540 127 HD11 ILE 16 3HD1 ILE 16 -1.138 3.690 -3.430 128 HD12 ILE 16 1HD1 ILE 16 0.177 4.844 -3.757 129 HD13 ILE 16 2HD1 ILE 16 -1.518 5.382 -3.832 130 H LEU 17 H LEU 17 0.596 7.570 -8.082 131 HA LEU 17 HA LEU 17 -1.453 8.678 -9.598 132 HB2 LEU 17 1HB LEU 17 -0.302 10.495 -9.150 133 HB3 LEU 17 2HB LEU 17 0.937 9.499 -8.412 134 HG LEU 17 HG LEU 17 1.888 9.283 -10.827 135 HD11 LEU 17 1HD1 LEU 17 1.082 10.540 -12.488 136 HD12 LEU 17 2HD1 LEU 17 -0.369 10.722 -11.473 137 HD13 LEU 17 3HD1 LEU 17 0.899 11.970 -11.444 138 HD21 LEU 17 3HD2 LEU 17 3.439 10.439 -9.733 139 HD22 LEU 17 1HD2 LEU 17 2.651 11.918 -10.332 140 HD23 LEU 17 2HD2 LEU 17 2.221 11.266 -8.733 141 H ALA 18 H ALA 18 1.168 6.502 -10.446 142 HA ALA 18 HA ALA 18 1.170 7.166 -13.222 143 HB1 ALA 18 3HB ALA 18 3.172 6.258 -12.289 144 HB2 ALA 18 1HB ALA 18 2.297 4.896 -11.549 145 HB3 ALA 18 2HB ALA 18 2.489 4.975 -13.317 146 H GLY 19 H GLY 19 -1.115 5.731 -11.203 147 HA2 GLY 19 1HA GLY 19 -2.970 4.524 -11.584 148 HA3 GLY 19 2HA GLY 19 -2.809 4.952 -13.276 149 H ARG 20 H ARG 20 -0.633 3.000 -11.122 150 HA ARG 20 HA ARG 20 -0.875 0.895 -13.109 151 HB2 ARG 20 1HB ARG 20 1.372 2.048 -11.680 152 HB3 ARG 20 2HB ARG 20 1.255 0.355 -11.243 153 HG2 ARG 20 1HG ARG 20 2.676 0.604 -13.238 154 HG3 ARG 20 2HG ARG 20 1.221 -0.280 -13.654 155 HD2 ARG 20 1HD ARG 20 0.226 2.036 -14.345 156 HD3 ARG 20 2HD ARG 20 1.872 2.632 -14.265 157 HE ARG 20 HE ARG 20 2.013 0.296 -15.819 158 HH11 ARG 20 2HH2 ARG 20 0.332 3.408 -16.035 159 HH12 ARG 20 1HH2 ARG 20 0.291 3.406 -17.766 160 HH21 ARG 20 1HH ARG 20 1.253 1.565 -18.962 161 H LYS 21 H LYS 21 -2.557 -0.443 -12.418 162 HA LYS 21 HA LYS 21 -3.557 -0.811 -9.971 163 HB2 LYS 21 1HB LYS 21 -4.389 -2.945 -10.725 164 HB3 LYS 21 2HB LYS 21 -4.424 -1.807 -12.057 165 HG2 LYS 21 1HG LYS 21 -1.872 -2.945 -12.276 166 HG3 LYS 21 2HG LYS 21 -2.858 -4.297 -11.757 167 HD2 LYS 21 1HD LYS 21 -4.186 -4.263 -13.683 168 HD3 LYS 21 2HD LYS 21 -3.966 -2.543 -13.940 169 HE2 LYS 21 1HE LYS 21 -2.191 -2.897 -15.316 170 HE3 LYS 21 2HE LYS 21 -1.389 -3.899 -14.123 171 HZ1 LYS 21 2HZ LYS 21 -2.082 -5.753 -15.182 172 HZ3 LYS 21 1HZ LYS 21 -2.491 -4.809 -16.443 173 H THR 22 H THR 22 -2.375 -0.888 -8.110 174 HA THR 22 HA THR 22 -0.367 -3.040 -7.957 175 HB THR 22 HB THR 22 -0.350 -0.153 -6.991 176 HG1 THR 22 1HG THR 22 1.057 -0.290 -8.694 177 HG21 THR 22 3HG2 THR 22 1.398 -0.585 -5.458 178 HG22 THR 22 1HG2 THR 22 0.316 -1.964 -5.148 179 HG23 THR 22 2HG2 THR 22 1.757 -2.175 -6.172 180 H ILE 23 H ILE 23 -0.190 -4.178 -5.966 181 HA ILE 23 HA ILE 23 -2.734 -4.169 -4.539 182 HB ILE 23 HB ILE 23 -0.718 -6.238 -3.962 183 HG12 ILE 23 1HG1 ILE 23 -1.637 -7.351 -6.221 184 HG13 ILE 23 2HG1 ILE 23 -1.643 -5.678 -6.742 185 HG21 ILE 23 1HG2 ILE 23 -2.564 -7.629 -3.762 186 HG22 ILE 23 2HG2 ILE 23 -3.196 -6.054 -3.226 187 HG23 ILE 23 3HG2 ILE 23 -3.557 -6.647 -4.865 188 HD11 ILE 23 3HD1 ILE 23 0.617 -7.463 -6.402 189 HD12 ILE 23 1HD1 ILE 23 0.586 -5.825 -7.098 190 HD13 ILE 23 2HD1 ILE 23 0.817 -6.043 -5.347 191 H THR 24 H THR 24 -2.671 -4.455 -2.127 192 HA THR 24 HA THR 24 -0.289 -3.199 -0.953 193 HB THR 24 HB THR 24 -1.769 -1.705 0.338 194 HG1 THR 24 1HG THR 24 -4.031 -2.044 0.140 195 HG21 THR 24 3HG2 THR 24 -3.220 -0.771 -1.752 196 HG22 THR 24 1HG2 THR 24 -1.468 -0.480 -1.633 197 HG23 THR 24 2HG2 THR 24 -2.084 -1.796 -2.661 198 H ILE 25 H ILE 25 -0.513 -3.332 1.586 199 HA ILE 25 HA ILE 25 -1.639 -5.960 2.231 200 HB ILE 25 HB ILE 25 1.101 -4.953 3.006 201 HG12 ILE 25 1HG1 ILE 25 1.537 -7.274 1.687 202 HG13 ILE 25 2HG1 ILE 25 0.123 -6.712 0.819 203 HG21 ILE 25 1HG2 ILE 25 1.270 -7.396 3.833 204 HG22 ILE 25 2HG2 ILE 25 0.405 -6.207 4.836 205 HG23 ILE 25 3HG2 ILE 25 -0.509 -7.358 3.832 206 HD11 ILE 25 3HD1 ILE 25 2.751 -5.220 1.216 207 HD12 ILE 25 1HD1 ILE 25 2.054 -5.805 -0.314 208 HD13 ILE 25 2HD1 ILE 25 1.288 -4.453 0.553 209 H ARG 26 H ARG 26 -2.668 -6.093 4.215 210 HA ARG 26 HA ARG 26 -2.411 -3.747 5.900 211 HB2 ARG 26 1HB ARG 26 -5.143 -4.825 5.938 212 HB3 ARG 26 2HB ARG 26 -4.616 -3.169 5.713 213 HG2 ARG 26 1HG ARG 26 -4.470 -5.259 3.495 214 HG3 ARG 26 2HG ARG 26 -5.869 -4.231 3.735 215 HD2 ARG 26 1HD ARG 26 -3.361 -3.595 2.415 216 HD3 ARG 26 2HD ARG 26 -4.835 -2.649 2.474 217 HE ARG 26 HE ARG 26 -2.498 -2.379 4.261 218 HH11 ARG 26 2HH2 ARG 26 -5.875 -1.491 3.658 219 HH12 ARG 26 1HH2 ARG 26 -5.823 -0.101 4.689 220 HH21 ARG 26 1HH ARG 26 -3.787 0.437 5.833 221 H ASP 27 H ASP 27 -3.652 -4.254 8.128 222 HA ASP 27 HA ASP 27 -2.707 -6.877 8.885 223 HB2 ASP 27 1HB ASP 27 -1.912 -5.113 10.312 224 HB3 ASP 27 2HB ASP 27 -3.494 -4.366 10.407 225 HD2 ASP 27 HD ASP 27 -3.720 -5.073 13.218 226 H GLU 28 H GLU 28 -4.172 -8.526 9.450 227 HA GLU 28 HA GLU 28 -6.778 -8.390 8.738 228 HB2 GLU 28 1HB GLU 28 -5.903 -10.550 9.050 229 HB3 GLU 28 2HB GLU 28 -5.230 -10.169 10.623 230 HG2 GLU 28 1HG GLU 28 -7.201 -11.612 10.900 231 HG3 GLU 28 2HG GLU 28 -7.532 -10.033 11.584 232 HE2 GLU 28 HE GLU 28 -10.108 -9.392 9.391 233 H SER 29 H SER 29 -5.310 -7.783 11.984 234 HA SER 29 HA SER 29 -7.654 -7.538 13.383 235 HB2 SER 29 1HB SER 29 -6.343 -6.594 15.104 236 HB3 SER 29 2HB SER 29 -5.192 -7.563 14.205 237 HG SER 29 HG SER 29 -5.530 -4.703 14.196 238 H GLU 30 H GLU 30 -6.346 -5.546 10.869 239 HA GLU 30 HA GLU 30 -8.310 -3.507 11.555 240 HB2 GLU 30 1HB GLU 30 -5.416 -3.168 10.764 241 HB3 GLU 30 2HB GLU 30 -6.571 -1.943 10.279 242 HG2 GLU 30 1HG GLU 30 -7.330 -2.089 12.840 243 HG3 GLU 30 2HG GLU 30 -5.724 -2.754 13.066 244 HE2 GLU 30 HE GLU 30 -4.312 0.371 12.971 245 H SER 31 H SER 31 -8.073 -6.006 9.706 246 HA SER 31 HA SER 31 -8.517 -4.605 7.193 247 HB2 SER 31 1HB SER 31 -6.839 -6.680 7.628 248 HB3 SER 31 2HB SER 31 -8.297 -7.599 7.309 249 HG SER 31 HG SER 31 -6.927 -7.072 5.394 250 H HIS 32 H HIS 32 -10.707 -4.003 7.344 251 HA HIS 32 HA HIS 32 -12.560 -6.211 7.215 252 HB2 HIS 32 1HB HIS 32 -14.076 -5.026 8.892 253 HB3 HIS 32 2HB HIS 32 -12.723 -5.944 9.525 254 HD1 HIS 32 1HD HIS 32 -13.110 -4.337 11.683 255 HD2 HIS 32 2HD HIS 32 -11.585 -2.503 8.232 256 HE1 HIS 32 1HE HIS 32 -12.127 -2.105 12.434 257 H PHE 33 H PHE 33 -13.642 -5.829 5.354 258 HA PHE 33 HA PHE 33 -15.133 -3.526 4.950 259 HB2 PHE 33 1HB PHE 33 -12.446 -3.028 4.531 260 HB3 PHE 33 2HB PHE 33 -12.871 -3.641 2.945 261 HD1 PHE 33 1HD PHE 33 -14.960 -1.569 5.219 262 HD2 PHE 33 2HD PHE 33 -12.750 -1.736 1.600 263 HE1 PHE 33 1HE PHE 33 -15.836 0.694 4.579 264 HE2 PHE 33 2HE PHE 33 -13.626 0.527 0.960 265 HZ PHE 33 HZ PHE 33 -15.159 1.716 2.457 266 H LYS 34 H LYS 34 -14.545 -3.577 1.933 267 HA LYS 34 HA LYS 34 -15.090 -6.280 1.168 268 HB2 LYS 34 1HB LYS 34 -17.316 -5.690 0.128 269 HB3 LYS 34 2HB LYS 34 -17.304 -5.861 1.871 270 HG2 LYS 34 1HG LYS 34 -16.753 -3.108 0.817 271 HG3 LYS 34 2HG LYS 34 -18.382 -3.709 0.581 272 HD2 LYS 34 1HD LYS 34 -18.722 -4.031 2.947 273 HD3 LYS 34 2HD LYS 34 -17.013 -3.866 3.295 274 HE2 LYS 34 1HE LYS 34 -17.107 -1.468 2.531 275 HE3 LYS 34 2HE LYS 34 -18.827 -1.642 2.241 276 HZ1 LYS 34 2HZ LYS 34 -17.443 -1.372 4.764 277 HZ3 LYS 34 1HZ LYS 34 -18.601 -2.517 4.785 278 H THR 35 H THR 35 -14.975 -6.553 -1.156 279 HA THR 35 HA THR 35 -13.254 -4.604 -2.351 280 HB THR 35 HB THR 35 -14.587 -7.099 -3.528 281 HG1 THR 35 1HG THR 35 -13.389 -7.609 -1.604 282 HG21 THR 35 3HG2 THR 35 -12.193 -7.105 -4.648 283 HG22 THR 35 1HG2 THR 35 -13.446 -6.040 -5.330 284 HG23 THR 35 2HG2 THR 35 -12.194 -5.369 -4.257 285 H GLY 36 H GLY 36 -13.661 -3.791 -4.629 286 HA2 GLY 36 1HA GLY 36 -14.914 -2.645 -6.112 287 HA3 GLY 36 2HA GLY 36 -16.345 -3.457 -5.508 288 H ASP 37 H ASP 37 -14.448 -1.948 -3.015 289 HA ASP 37 HA ASP 37 -16.456 0.145 -2.889 290 HB2 ASP 37 1HB ASP 37 -14.977 -1.483 -0.927 291 HB3 ASP 37 2HB ASP 37 -14.889 0.225 -0.543 292 HD2 ASP 37 HD ASP 37 -17.840 -1.344 -1.859 293 H VAL 38 H VAL 38 -15.087 2.011 -1.252 294 HA VAL 38 HA VAL 38 -12.986 2.898 -3.085 295 HB VAL 38 HB VAL 38 -15.171 4.153 -1.662 296 HG11 VAL 38 1HG1 VAL 38 -13.810 6.264 -1.128 297 HG12 VAL 38 2HG1 VAL 38 -13.697 4.905 0.016 298 HG13 VAL 38 3HG1 VAL 38 -12.382 5.202 -1.146 299 HG21 VAL 38 3HG2 VAL 38 -15.115 4.638 -3.911 300 HG22 VAL 38 1HG2 VAL 38 -14.299 6.078 -3.257 301 HG23 VAL 38 2HG2 VAL 38 -13.339 4.753 -3.958 302 H LEU 39 H LEU 39 -10.959 3.687 -2.246 303 HA LEU 39 HA LEU 39 -10.445 2.968 0.540 304 HB2 LEU 39 1HB LEU 39 -9.141 1.846 -1.899 305 HB3 LEU 39 2HB LEU 39 -8.152 2.140 -0.483 306 HG LEU 39 HG LEU 39 -10.686 0.493 -0.381 307 HD11 LEU 39 1HD1 LEU 39 -9.049 -0.438 -2.030 308 HD12 LEU 39 2HD1 LEU 39 -7.877 -0.590 -0.698 309 HD13 LEU 39 3HD1 LEU 39 -9.403 -1.505 -0.649 310 HD21 LEU 39 3HD2 LEU 39 -10.201 0.050 1.772 311 HD22 LEU 39 1HD2 LEU 39 -8.445 0.004 1.484 312 HD23 LEU 39 2HD2 LEU 39 -9.276 1.567 1.667 313 H ARG 40 H ARG 40 -10.104 4.979 1.375 314 HA ARG 40 HA ARG 40 -9.241 7.132 -0.028 315 HB2 ARG 40 1HB ARG 40 -9.975 6.607 2.602 316 HB3 ARG 40 2HB ARG 40 -8.286 7.035 2.794 317 HG2 ARG 40 1HG ARG 40 -8.628 9.234 2.200 318 HG3 ARG 40 2HG ARG 40 -9.799 8.829 0.960 319 HD2 ARG 40 1HD ARG 40 -10.736 8.262 3.728 320 HD3 ARG 40 2HD ARG 40 -10.419 9.958 3.419 321 HE ARG 40 HE ARG 40 -11.903 8.881 1.213 322 HH11 ARG 40 2HH2 ARG 40 -12.343 9.760 4.617 323 HH12 ARG 40 1HH2 ARG 40 -14.036 10.085 4.443 324 HH21 ARG 40 1HH ARG 40 -15.069 9.813 2.297 325 H VAL 41 H VAL 41 -7.252 7.843 -0.793 326 HA VAL 41 HA VAL 41 -4.901 6.345 0.142 327 HB VAL 41 HB VAL 41 -5.482 5.774 -2.133 328 HG11 VAL 41 1HG1 VAL 41 -6.786 7.721 -2.769 329 HG12 VAL 41 2HG1 VAL 41 -5.340 8.756 -2.690 330 HG13 VAL 41 3HG1 VAL 41 -5.459 7.486 -3.932 331 HG21 VAL 41 3HG2 VAL 41 -2.996 7.164 -1.419 332 HG22 VAL 41 1HG2 VAL 41 -3.245 5.606 -2.244 333 HG23 VAL 41 2HG2 VAL 41 -3.309 7.124 -3.171 334 H GLY 42 H GLY 42 -2.994 7.531 0.581 335 HA2 GLY 42 1HA GLY 42 -2.766 10.312 0.059 336 HA3 GLY 42 2HA GLY 42 -3.309 10.045 1.704 337 H ARG 43 H ARG 43 -0.671 11.060 0.580 338 HA ARG 43 HA ARG 43 1.179 8.988 1.063 339 HB2 ARG 43 1HB ARG 43 1.214 11.633 -0.031 340 HB3 ARG 43 2HB ARG 43 2.340 11.656 1.312 341 HG2 ARG 43 1HG ARG 43 3.790 10.139 0.317 342 HG3 ARG 43 2HG ARG 43 2.503 9.268 -0.493 343 HD2 ARG 43 1HD ARG 43 4.080 10.669 -1.993 344 HD3 ARG 43 2HD ARG 43 2.360 10.866 -2.262 345 HE ARG 43 HE ARG 43 3.279 12.770 -0.293 346 HH11 ARG 43 2HH2 ARG 43 3.316 12.148 -3.781 347 HH12 ARG 43 1HH2 ARG 43 3.475 13.820 -4.203 348 HH21 ARG 43 1HH ARG 43 3.575 15.466 -2.463 349 H PHE 44 H PHE 44 2.106 8.380 3.013 350 HA PHE 44 HA PHE 44 1.091 9.393 5.408 351 HB2 PHE 44 1HB PHE 44 2.293 7.128 4.682 352 HB3 PHE 44 2HB PHE 44 3.784 7.990 5.003 353 HD1 PHE 44 1HD PHE 44 4.066 9.009 7.356 354 HD2 PHE 44 2HD PHE 44 1.158 6.064 6.421 355 HE1 PHE 44 1HE PHE 44 3.887 8.414 9.788 356 HE2 PHE 44 2HE PHE 44 0.979 5.469 8.853 357 HZ PHE 44 HZ PHE 44 2.345 6.651 10.507 358 H GLU 45 H GLU 45 3.839 10.338 3.382 359 HA GLU 45 HA GLU 45 5.529 11.460 5.125 360 HB2 GLU 45 1HB GLU 45 4.701 12.049 2.323 361 HB3 GLU 45 2HB GLU 45 5.545 13.354 3.132 362 HG2 GLU 45 1HG GLU 45 6.941 11.525 1.850 363 HG3 GLU 45 2HG GLU 45 7.520 12.110 3.397 364 HE2 GLU 45 HE GLU 45 5.277 9.366 2.457 365 H ASP 46 H ASP 46 2.497 12.954 3.819 366 HA ASP 46 HA ASP 46 1.631 14.118 6.018 367 HB2 ASP 46 1HB ASP 46 2.506 16.608 5.478 368 HB3 ASP 46 2HB ASP 46 3.346 15.551 6.596 369 HD2 ASP 46 HD ASP 46 5.156 16.760 6.121 370 H ASP 47 H ASP 47 0.585 13.117 3.630 371 HA ASP 47 HA ASP 47 -0.173 15.436 2.070 372 HB2 ASP 47 1HB ASP 47 0.443 12.765 1.415 373 HB3 ASP 47 2HB ASP 47 -1.301 12.835 1.258 374 HD2 ASP 47 HD ASP 47 1.209 13.540 -1.214 375 H GLY 48 H GLY 48 -1.546 12.530 3.778 376 HA2 GLY 48 1HA GLY 48 -3.415 12.424 5.090 377 HA3 GLY 48 2HA GLY 48 -3.832 14.071 4.662 378 H TYR 49 H TYR 49 -6.056 13.449 4.273 379 HA TYR 49 HA TYR 49 -7.177 11.509 2.937 380 HB2 TYR 49 1HB TYR 49 -8.261 13.654 3.686 381 HB3 TYR 49 2HB TYR 49 -7.436 14.535 2.416 382 HD1 TYR 49 1HD TYR 49 -10.121 12.088 3.121 383 HD2 TYR 49 2HD TYR 49 -8.272 14.556 0.155 384 HE1 TYR 49 1HE TYR 49 -12.092 11.704 1.563 385 HE2 TYR 49 2HE TYR 49 -10.250 14.164 -1.393 386 HH TYR 49 HH TYR 49 -12.204 11.829 -1.261 387 H PHE 50 H PHE 50 -5.381 14.183 1.281 388 HA PHE 50 HA PHE 50 -4.642 14.392 -0.790 389 HB2 PHE 50 1HB PHE 50 -3.120 12.601 -0.167 390 HB3 PHE 50 2HB PHE 50 -4.400 11.404 -0.184 391 HD1 PHE 50 1HD PHE 50 -3.613 13.902 -2.820 392 HD2 PHE 50 2HD PHE 50 -3.579 9.813 -1.688 393 HE1 PHE 50 1HE PHE 50 -2.980 13.259 -5.163 394 HE2 PHE 50 2HE PHE 50 -2.946 9.169 -4.030 395 HZ PHE 50 HZ PHE 50 -2.654 10.900 -5.740 396 H CYS 51 H CYS 51 -5.895 11.096 -1.468 397 HA CYS 51 HA CYS 51 -8.165 12.220 -2.859 398 HB2 CYS 51 1HB CYS 51 -6.124 10.554 -4.367 399 HB3 CYS 51 2HB CYS 51 -7.638 11.173 -4.997 400 HG CYS 51 HG CYS 51 -6.665 13.148 -5.856 401 H THR 52 H THR 52 -9.128 9.977 -4.120 402 HA THR 52 HA THR 52 -8.918 7.801 -2.160 403 HB THR 52 HB THR 52 -11.482 9.084 -3.242 404 HG1 THR 52 1HG THR 52 -11.618 9.565 -0.894 405 HG21 THR 52 3HG2 THR 52 -11.608 7.241 -0.927 406 HG22 THR 52 1HG2 THR 52 -12.664 7.324 -2.357 407 HG23 THR 52 2HG2 THR 52 -11.130 6.423 -2.434 408 H ILE 53 H ILE 53 -9.424 5.696 -2.968 409 HA ILE 53 HA ILE 53 -9.596 5.579 -5.889 410 HB ILE 53 HB ILE 53 -7.823 4.104 -6.101 411 HG12 ILE 53 1HG1 ILE 53 -7.689 3.800 -3.087 412 HG13 ILE 53 2HG1 ILE 53 -8.453 2.657 -4.173 413 HG21 ILE 53 1HG2 ILE 53 -7.114 6.262 -4.110 414 HG22 ILE 53 2HG2 ILE 53 -5.895 5.221 -4.884 415 HG23 ILE 53 3HG2 ILE 53 -6.927 6.275 -5.880 416 HD11 ILE 53 3HD1 ILE 53 -6.230 1.828 -3.775 417 HD12 ILE 53 1HD1 ILE 53 -6.215 2.505 -5.421 418 HD13 ILE 53 2HD1 ILE 53 -5.508 3.427 -4.073 419 H GLU 54 H GLU 54 -10.011 3.114 -6.512 420 HA GLU 54 HA GLU 54 -11.991 2.169 -4.587 421 HB2 GLU 54 1HB GLU 54 -12.290 2.899 -7.350 422 HB3 GLU 54 2HB GLU 54 -12.525 1.166 -7.241 423 HG2 GLU 54 1HG GLU 54 -14.360 1.367 -5.759 424 HG3 GLU 54 2HG GLU 54 -13.880 2.963 -5.215 425 HE2 GLU 54 HE GLU 54 -14.238 4.672 -6.703 426 H VAL 55 H VAL 55 -12.131 -0.113 -4.216 427 HA VAL 55 HA VAL 55 -9.662 -1.470 -4.555 428 HB VAL 55 HB VAL 55 -12.148 -2.903 -3.773 429 HG11 VAL 55 1HG1 VAL 55 -10.237 -4.196 -3.463 430 HG12 VAL 55 2HG1 VAL 55 -9.263 -2.811 -2.914 431 HG13 VAL 55 3HG1 VAL 55 -10.502 -3.507 -1.844 432 HG21 VAL 55 3HG2 VAL 55 -11.725 -1.788 -1.415 433 HG22 VAL 55 1HG2 VAL 55 -11.115 -0.442 -2.407 434 HG23 VAL 55 2HG2 VAL 55 -12.787 -1.016 -2.617 435 H THR 56 H THR 56 -9.378 -3.570 -5.654 436 HA THR 56 HA THR 56 -11.225 -3.897 -7.922 437 HB THR 56 HB THR 56 -9.083 -2.646 -8.523 438 HG1 THR 56 1HG THR 56 -9.657 -3.783 -10.335 439 HG21 THR 56 3HG2 THR 56 -7.469 -3.813 -7.038 440 HG22 THR 56 1HG2 THR 56 -7.867 -5.367 -7.808 441 HG23 THR 56 2HG2 THR 56 -7.036 -4.098 -8.741 442 H ALA 57 H ALA 57 -8.755 -5.350 -5.745 443 HA ALA 57 HA ALA 57 -10.301 -7.752 -5.646 444 HB1 ALA 57 3HB ALA 57 -9.142 -9.081 -7.055 445 HB2 ALA 57 1HB ALA 57 -8.474 -7.582 -7.745 446 HB3 ALA 57 2HB ALA 57 -7.577 -8.457 -6.480 447 H THR 58 H THR 58 -9.073 -9.407 -4.182 448 HA THR 58 HA THR 58 -7.100 -8.162 -2.462 449 HB THR 58 HB THR 58 -9.991 -8.683 -1.701 450 HG1 THR 58 1HG THR 58 -9.366 -6.503 -1.956 451 HG21 THR 58 3HG2 THR 58 -7.523 -9.094 0.000 452 HG22 THR 58 1HG2 THR 58 -8.911 -8.243 0.720 453 HG23 THR 58 2HG2 THR 58 -9.106 -9.902 0.105 454 H SER 59 H SER 59 -5.989 -9.667 -1.100 455 HA SER 59 HA SER 59 -6.726 -12.411 -1.335 456 HB2 SER 59 1HB SER 59 -3.987 -12.454 -2.107 457 HB3 SER 59 2HB SER 59 -5.371 -12.977 -3.047 458 HG SER 59 HG SER 59 -5.514 -10.970 -4.043 459 H THR 60 H THR 60 -4.954 -13.807 -0.118 460 HA THR 60 HA THR 60 -3.958 -12.169 2.120 461 HB THR 60 HB THR 60 -4.172 -14.720 3.109 462 HG1 THR 60 1HG THR 60 -5.747 -15.773 1.900 463 HG21 THR 60 3HG2 THR 60 -6.715 -13.084 2.788 464 HG22 THR 60 1HG2 THR 60 -6.176 -14.035 4.193 465 HG23 THR 60 2HG2 THR 60 -5.393 -12.481 3.817 466 H VAL 61 H VAL 61 -1.847 -11.762 1.830 467 HA VAL 61 HA VAL 61 -0.093 -14.029 1.664 468 HB VAL 61 HB VAL 61 0.528 -12.020 -0.406 469 HG11 VAL 61 1HG1 VAL 61 0.824 -14.402 -1.601 470 HG12 VAL 61 2HG1 VAL 61 2.043 -13.724 -0.494 471 HG13 VAL 61 3HG1 VAL 61 0.883 -14.939 0.095 472 HG21 VAL 61 3HG2 VAL 61 -1.938 -12.292 -0.675 473 HG22 VAL 61 1HG2 VAL 61 -1.001 -12.885 -2.068 474 HG23 VAL 61 2HG2 VAL 61 -1.685 -14.040 -0.898 475 H THR 62 H THR 62 2.303 -13.112 1.645 476 HA THR 62 HA THR 62 2.458 -11.361 3.872 477 HB THR 62 HB THR 62 4.826 -11.971 2.105 478 HG1 THR 62 1HG THR 62 3.134 -13.815 3.642 479 HG21 THR 62 3HG2 THR 62 4.571 -11.136 4.725 480 HG22 THR 62 1HG2 THR 62 4.618 -12.903 4.938 481 HG23 THR 62 2HG2 THR 62 5.961 -12.070 4.120 482 H LEU 63 H LEU 63 4.874 -9.902 2.931 483 HA LEU 63 HA LEU 63 3.403 -7.788 1.535 484 HB2 LEU 63 1HB LEU 63 5.289 -6.356 2.437 485 HB3 LEU 63 2HB LEU 63 4.096 -6.952 3.574 486 HG LEU 63 HG LEU 63 6.208 -8.861 3.505 487 HD11 LEU 63 1HD1 LEU 63 7.585 -7.060 2.514 488 HD12 LEU 63 2HD1 LEU 63 7.240 -6.045 3.935 489 HD13 LEU 63 3HD1 LEU 63 8.150 -7.563 4.126 490 HD21 LEU 63 3HD2 LEU 63 4.752 -7.205 5.415 491 HD22 LEU 63 1HD2 LEU 63 5.387 -8.860 5.576 492 HD23 LEU 63 2HD2 LEU 63 6.449 -7.465 5.885 493 H ASP 64 H ASP 64 6.878 -8.817 1.804 494 HA ASP 64 HA ASP 64 7.587 -7.828 -0.635 495 HB2 ASP 64 1HB ASP 64 8.803 -9.272 1.445 496 HB3 ASP 64 2HB ASP 64 8.974 -10.342 0.068 497 HD2 ASP 64 HD ASP 64 11.877 -8.160 0.189 498 H THR 65 H THR 65 5.436 -10.374 0.083 499 HA THR 65 HA THR 65 6.106 -12.145 -2.068 500 HB THR 65 HB THR 65 3.659 -12.936 -1.342 501 HG1 THR 65 1HG THR 65 2.910 -11.512 0.174 502 HG21 THR 65 3HG2 THR 65 4.753 -13.625 1.016 503 HG22 THR 65 1HG2 THR 65 5.307 -14.385 -0.496 504 HG23 THR 65 2HG2 THR 65 6.243 -13.054 0.226 505 H LEU 66 H LEU 66 4.927 -9.019 -2.061 506 HA LEU 66 HA LEU 66 4.231 -9.150 -4.770 507 HB2 LEU 66 1HB LEU 66 1.835 -8.570 -4.582 508 HB3 LEU 66 2HB LEU 66 2.221 -10.223 -4.149 509 HG LEU 66 HG LEU 66 2.315 -9.006 -1.698 510 HD11 LEU 66 1HD1 LEU 66 -0.167 -7.801 -2.839 511 HD12 LEU 66 2HD1 LEU 66 0.805 -7.316 -1.429 512 HD13 LEU 66 3HD1 LEU 66 1.376 -6.947 -3.074 513 HD21 LEU 66 3HD2 LEU 66 0.031 -9.985 -1.366 514 HD22 LEU 66 1HD2 LEU 66 -0.008 -10.336 -3.110 515 HD23 LEU 66 2HD2 LEU 66 1.227 -11.096 -2.077 516 H THR 67 H THR 67 3.911 -7.509 -1.588 517 HA THR 67 HA THR 67 3.453 -4.943 -2.342 518 HB THR 67 HB THR 67 3.980 -6.188 -0.017 519 HG1 THR 67 1HG THR 67 4.337 -3.884 0.729 520 HG21 THR 67 3HG2 THR 67 6.339 -4.459 0.159 521 HG22 THR 67 1HG2 THR 67 6.162 -6.155 0.668 522 HG23 THR 67 2HG2 THR 67 6.613 -5.772 -1.011 523 H GLU 68 H GLU 68 4.792 -3.063 -2.729 524 HA GLU 68 HA GLU 68 6.436 -3.385 -4.857 525 HB2 GLU 68 1HB GLU 68 5.863 -1.214 -2.905 526 HB3 GLU 68 2HB GLU 68 7.385 -1.042 -3.756 527 HG2 GLU 68 1HG GLU 68 5.165 -1.852 -5.538 528 HG3 GLU 68 2HG GLU 68 4.869 -0.318 -4.742 529 HE2 GLU 68 HE GLU 68 5.712 0.688 -7.332 530 H LYS 69 H LYS 69 7.116 -3.947 -1.473 531 HA LYS 69 HA LYS 69 9.787 -3.438 -1.267 532 HB2 LYS 69 1HB LYS 69 8.243 -4.209 0.539 533 HB3 LYS 69 2HB LYS 69 8.318 -5.830 -0.120 534 HG2 LYS 69 1HG LYS 69 10.894 -5.645 0.099 535 HG3 LYS 69 2HG LYS 69 10.612 -4.200 1.049 536 HD2 LYS 69 1HD LYS 69 9.280 -5.474 2.686 537 HD3 LYS 69 2HD LYS 69 9.378 -6.918 1.697 538 HE2 LYS 69 1HE LYS 69 11.971 -6.674 1.921 539 HE3 LYS 69 2HE LYS 69 11.630 -5.534 3.207 540 HZ1 LYS 69 2HZ LYS 69 11.397 -7.320 4.530 541 HZ3 LYS 69 1HZ LYS 69 11.463 -8.371 3.288 542 H HIS 70 H HIS 70 8.118 -6.010 -3.074 543 HA HIS 70 HA HIS 70 10.395 -7.612 -3.453 544 HB2 HIS 70 1HB HIS 70 8.413 -8.733 -3.801 545 HB3 HIS 70 2HB HIS 70 7.667 -7.399 -4.658 546 HD1 HIS 70 1HD HIS 70 8.125 -7.188 -7.221 547 HD2 HIS 70 2HD HIS 70 9.982 -10.477 -5.395 548 HE1 HIS 70 1HE HIS 70 8.931 -8.696 -9.115 549 H ALA 71 H ALA 71 8.742 -5.173 -5.583 550 HA ALA 71 HA ALA 71 10.575 -5.301 -7.657 551 HB1 ALA 71 3HB ALA 71 8.826 -3.024 -6.645 552 HB2 ALA 71 1HB ALA 71 9.660 -3.033 -8.217 553 HB3 ALA 71 2HB ALA 71 8.398 -4.240 -7.873 554 H GLU 72 H GLU 72 10.621 -3.537 -4.540 555 HA GLU 72 HA GLU 72 12.828 -1.945 -5.252 556 HB2 GLU 72 1HB GLU 72 10.976 -2.016 -3.163 557 HB3 GLU 72 2HB GLU 72 12.471 -2.467 -2.366 558 HG2 GLU 72 1HG GLU 72 13.469 -0.406 -2.745 559 HG3 GLU 72 2HG GLU 72 12.655 -0.167 -4.279 560 HE2 GLU 72 HE GLU 72 11.293 2.149 -1.909 561 H GLN 73 H GLN 73 12.396 -5.038 -3.434 562 HA GLN 73 HA GLN 73 14.911 -5.351 -2.496 563 HB2 GLN 73 1HB GLN 73 12.652 -6.879 -2.539 564 HB3 GLN 73 2HB GLN 73 13.638 -7.792 -3.665 565 HG2 GLN 73 1HG GLN 73 15.315 -7.065 -1.434 566 HG3 GLN 73 2HG GLN 73 13.821 -7.708 -0.783 567 HE21 GLN 73 2HE2 GLN 73 14.173 -10.988 -2.092 568 HE22 GLN 73 1HE2 GLN 73 13.042 -9.763 -1.621 569 H GLU 74 H GLU 74 13.686 -5.820 -5.824 570 HA GLU 74 HA GLU 74 16.327 -6.730 -6.608 571 HB2 GLU 74 1HB GLU 74 13.584 -7.152 -7.597 572 HB3 GLU 74 2HB GLU 74 14.696 -6.741 -8.888 573 HG2 GLU 74 1HG GLU 74 16.105 -8.589 -7.244 574 HG3 GLU 74 2HG GLU 74 14.479 -9.230 -7.370 575 HE2 GLU 74 HE GLU 74 17.038 -9.958 -8.642 576 H ASN 75 H ASN 75 15.783 -3.937 -5.765 577 HA ASN 75 HA ASN 75 16.771 -2.709 -8.173 578 HB2 ASN 75 1HB ASN 75 14.125 -2.410 -7.787 579 HB3 ASN 75 2HB ASN 75 14.642 -1.201 -6.628 580 HD21 ASN 75 2HD2 ASN 75 14.135 0.105 -10.195 581 HD22 ASN 75 1HD2 ASN 75 13.236 -1.010 -9.221 582 H MET 76 H MET 76 15.492 -1.949 -4.835 583 HA MET 76 HA MET 76 17.767 -0.232 -4.409 584 HB2 MET 76 1HB MET 76 15.383 -0.914 -2.597 585 HB3 MET 76 2HB MET 76 16.520 0.392 -2.325 586 HG2 MET 76 1HG MET 76 14.612 0.143 -4.702 587 HG3 MET 76 2HG MET 76 14.445 1.259 -3.361 588 HE1 MET 76 3HE MET 76 16.125 0.495 -6.740 589 HE2 MET 76 1HE MET 76 14.737 1.607 -6.663 590 HE3 MET 76 2HE MET 76 16.330 2.207 -7.182 591 H THR 77 H THR 77 18.523 -0.369 -1.867 592 HA THR 77 HA THR 77 19.640 -3.043 -1.656 593 HB THR 77 HB THR 77 21.082 -1.006 -1.495 594 HG1 THR 77 1HG THR 77 22.037 -1.787 0.512 595 HG21 THR 77 3HG2 THR 77 20.930 0.446 0.481 596 HG22 THR 77 1HG2 THR 77 19.361 0.492 -0.358 597 HG23 THR 77 2HG2 THR 77 19.556 -0.494 1.111 598 H LEU 78 H LEU 78 20.018 -3.483 0.980 599 HA LEU 78 HA LEU 78 17.437 -4.365 1.752 600 HB2 LEU 78 1HB LEU 78 20.223 -4.622 2.710 601 HB3 LEU 78 2HB LEU 78 18.978 -4.785 3.932 602 HG LEU 78 HG LEU 78 17.907 -6.480 2.239 603 HD11 LEU 78 1HD1 LEU 78 19.655 -5.831 0.479 604 HD12 LEU 78 2HD1 LEU 78 20.788 -6.830 1.421 605 HD13 LEU 78 3HD1 LEU 78 19.323 -7.563 0.723 606 HD21 LEU 78 3HD2 LEU 78 18.573 -7.202 4.389 607 HD22 LEU 78 1HD2 LEU 78 19.356 -8.305 3.233 608 HD23 LEU 78 2HD2 LEU 78 20.300 -7.010 4.006 609 H THR 79 H THR 79 19.614 -1.670 2.684 610 HA THR 79 HA THR 79 18.254 -0.848 4.967 611 HB THR 79 HB THR 79 20.126 0.345 2.924 612 HG1 THR 79 1HG THR 79 21.158 0.688 5.131 613 HG21 THR 79 3HG2 THR 79 18.517 2.223 3.445 614 HG22 THR 79 1HG2 THR 79 18.791 1.933 5.180 615 HG23 THR 79 2HG2 THR 79 20.128 2.498 4.150 616 H GLU 80 H GLU 80 17.798 0.209 1.531 617 HA GLU 80 HA GLU 80 15.779 1.983 2.084 618 HB2 GLU 80 1HB GLU 80 16.956 0.711 -0.257 619 HB3 GLU 80 2HB GLU 80 15.219 0.832 -0.458 620 HG2 GLU 80 1HG GLU 80 15.307 3.262 0.078 621 HG3 GLU 80 2HG GLU 80 17.036 3.155 0.342 622 HE2 GLU 80 HE GLU 80 17.776 2.067 -2.725 623 H LEU 81 H LEU 81 15.669 -1.557 1.393 624 HA LEU 81 HA LEU 81 12.907 -1.796 1.229 625 HB2 LEU 81 1HB LEU 81 15.132 -3.675 1.966 626 HB3 LEU 81 2HB LEU 81 13.459 -4.193 2.022 627 HG LEU 81 HG LEU 81 15.102 -4.391 -0.148 628 HD11 LEU 81 1HD1 LEU 81 12.933 -5.544 0.317 629 HD12 LEU 81 2HD1 LEU 81 12.092 -4.110 -0.321 630 HD13 LEU 81 3HD1 LEU 81 13.163 -5.059 -1.380 631 HD21 LEU 81 3HD2 LEU 81 13.352 -1.976 -0.684 632 HD22 LEU 81 1HD2 LEU 81 15.115 -1.933 -0.441 633 HD23 LEU 81 2HD2 LEU 81 14.429 -2.801 -1.836 634 H LYS 82 H LYS 82 15.137 -1.686 4.038 635 HA LYS 82 HA LYS 82 13.132 -2.380 5.917 636 HB2 LYS 82 1HB LYS 82 15.857 -2.267 5.944 637 HB3 LYS 82 2HB LYS 82 15.468 -0.803 6.824 638 HG2 LYS 82 1HG LYS 82 15.318 -2.224 8.620 639 HG3 LYS 82 2HG LYS 82 13.700 -2.511 8.013 640 HD2 LYS 82 1HD LYS 82 14.417 -4.513 6.814 641 HD3 LYS 82 2HD LYS 82 16.106 -4.165 7.128 642 HE2 LYS 82 1HE LYS 82 15.803 -4.533 9.536 643 HE3 LYS 82 2HE LYS 82 14.067 -4.673 9.344 644 HZ1 LYS 82 2HZ LYS 82 14.273 -6.764 8.419 645 HZ3 LYS 82 1HZ LYS 82 15.584 -6.803 9.384 646 H LYS 83 H LYS 83 14.197 0.607 4.324 647 HA LYS 83 HA LYS 83 13.015 2.380 6.165 648 HB2 LYS 83 1HB LYS 83 14.625 2.553 3.886 649 HB3 LYS 83 2HB LYS 83 13.139 3.355 3.420 650 HG2 LYS 83 1HG LYS 83 14.476 3.954 6.087 651 HG3 LYS 83 2HG LYS 83 14.979 4.770 4.620 652 HD2 LYS 83 1HD LYS 83 12.857 5.820 4.323 653 HD3 LYS 83 2HD LYS 83 12.042 4.689 5.383 654 HE2 LYS 83 1HE LYS 83 12.286 6.785 6.591 655 HE3 LYS 83 2HE LYS 83 13.366 5.618 7.330 656 HZ1 LYS 83 2HZ LYS 83 15.216 6.590 6.162 657 HZ3 LYS 83 1HZ LYS 83 14.411 7.822 6.859 658 H VAL 84 H VAL 84 11.890 1.036 2.985 659 HA VAL 84 HA VAL 84 9.384 2.270 3.092 660 HB VAL 84 HB VAL 84 8.811 0.816 1.293 661 HG11 VAL 84 1HG1 VAL 84 10.333 1.592 -0.217 662 HG12 VAL 84 2HG1 VAL 84 10.871 2.538 1.192 663 HG13 VAL 84 3HG1 VAL 84 11.731 1.047 0.741 664 HG21 VAL 84 3HG2 VAL 84 9.967 -1.184 0.694 665 HG22 VAL 84 1HG2 VAL 84 11.263 -0.869 1.872 666 HG23 VAL 84 2HG2 VAL 84 9.629 -1.287 2.439 667 H ILE 85 H ILE 85 10.652 -0.824 4.393 668 HA ILE 85 HA ILE 85 8.175 -1.925 5.070 669 HB ILE 85 HB ILE 85 11.020 -2.354 5.813 670 HG12 ILE 85 1HG1 ILE 85 9.296 -3.409 3.935 671 HG13 ILE 85 2HG1 ILE 85 10.830 -4.095 4.432 672 HG21 ILE 85 1HG2 ILE 85 10.471 -4.030 7.483 673 HG22 ILE 85 2HG2 ILE 85 9.866 -2.433 7.986 674 HG23 ILE 85 3HG2 ILE 85 8.739 -3.646 7.333 675 HD11 ILE 85 3HD1 ILE 85 9.632 -5.370 6.251 676 HD12 ILE 85 1HD1 ILE 85 8.092 -4.743 5.616 677 HD13 ILE 85 2HD1 ILE 85 9.099 -5.813 4.611 678 H ALA 86 H ALA 86 10.336 0.418 6.706 679 HA ALA 86 HA ALA 86 8.813 0.373 9.125 680 HB1 ALA 86 3HB ALA 86 10.812 1.186 9.767 681 HB2 ALA 86 1HB ALA 86 11.278 1.541 8.087 682 HB3 ALA 86 2HB ALA 86 10.336 2.729 9.019 683 H ASP 87 H ASP 87 8.673 2.002 6.003 684 HA ASP 87 HA ASP 87 7.108 4.157 6.976 685 HB2 ASP 87 1HB ASP 87 8.484 3.480 4.579 686 HB3 ASP 87 2HB ASP 87 6.798 3.602 4.118 687 HD2 ASP 87 HD ASP 87 5.827 5.541 4.361 688 H ILE 88 H ILE 88 6.639 0.885 5.653 689 HA ILE 88 HA ILE 88 3.827 1.305 5.161 690 HB ILE 88 HB ILE 88 5.571 -0.191 3.893 691 HG12 ILE 88 1HG1 ILE 88 2.952 -1.564 4.242 692 HG13 ILE 88 2HG1 ILE 88 2.899 0.123 3.773 693 HG21 ILE 88 1HG2 ILE 88 6.286 -1.572 5.718 694 HG22 ILE 88 2HG2 ILE 88 4.608 -2.028 6.099 695 HG23 ILE 88 3HG2 ILE 88 5.357 -2.579 4.581 696 HD11 ILE 88 3HD1 ILE 88 4.470 -2.070 2.341 697 HD12 ILE 88 1HD1 ILE 88 2.960 -1.319 1.772 698 HD13 ILE 88 2HD1 ILE 88 4.452 -0.353 1.872 699 H TYR 89 H TYR 89 5.841 -0.812 7.326 700 HA TYR 89 HA TYR 89 4.614 -0.258 9.669 701 HB2 TYR 89 1HB TYR 89 2.930 -2.207 9.754 702 HB3 TYR 89 2HB TYR 89 2.463 -0.930 8.648 703 HD1 TYR 89 1HD TYR 89 4.324 -4.188 8.676 704 HD2 TYR 89 2HD TYR 89 1.847 -1.486 6.470 705 HE1 TYR 89 1HE TYR 89 4.151 -5.879 6.786 706 HE2 TYR 89 2HE TYR 89 1.682 -3.187 4.587 707 HH TYR 89 HH TYR 89 3.096 -5.080 3.745 708 HA PRO 90 HA PRO 90 7.564 -3.249 10.722 709 HB2 PRO 90 2HB PRO 90 8.092 -2.138 12.668 710 HB3 PRO 90 1HB PRO 90 7.151 -3.412 13.419 711 HG2 PRO 90 1HG PRO 90 5.357 -2.011 13.784 712 HG3 PRO 90 2HG PRO 90 6.460 -0.696 13.427 713 HD2 PRO 90 1HD PRO 90 4.185 -1.497 11.874 714 HD3 PRO 90 2HD PRO 90 5.354 -0.259 11.459 715 H GLY 91 H GLY 91 7.787 -5.391 10.483 716 HA2 GLY 91 1HA GLY 91 6.976 -7.494 11.568 717 HA3 GLY 91 2HA GLY 91 5.361 -6.935 11.180 718 H GLN 92 H GLN 92 7.751 -9.005 10.171 719 HA GLN 92 HA GLN 92 6.963 -8.685 7.379 720 HB2 GLN 92 1HB GLN 92 9.488 -8.465 8.190 721 HB3 GLN 92 2HB GLN 92 9.434 -10.217 8.200 722 HG2 GLN 92 1HG GLN 92 8.425 -8.709 5.771 723 HG3 GLN 92 2HG GLN 92 10.150 -8.925 5.997 724 HE21 GLN 92 2HE2 GLN 92 8.118 -11.773 4.215 725 HE22 GLN 92 1HE2 GLN 92 7.777 -10.077 4.294 726 H THR 93 H THR 93 4.984 -9.932 8.101 727 HA THR 93 HA THR 93 5.496 -12.766 7.727 728 HB THR 93 HB THR 93 4.433 -13.437 9.778 729 HG1 THR 93 1HG THR 93 3.049 -11.965 10.801 730 HG21 THR 93 3HG2 THR 93 5.912 -10.873 10.558 731 HG22 THR 93 1HG2 THR 93 5.648 -12.309 11.575 732 HG23 THR 93 2HG2 THR 93 6.742 -12.400 10.174 733 H GLN 94 H GLN 94 3.637 -13.954 7.009 734 HA GLN 94 HA GLN 94 2.234 -12.871 5.085 735 HB2 GLN 94 1HB GLN 94 1.436 -15.018 7.068 736 HB3 GLN 94 2HB GLN 94 0.346 -14.576 5.769 737 HG2 GLN 94 1HG GLN 94 1.828 -15.315 4.082 738 HG3 GLN 94 2HG GLN 94 3.241 -15.161 5.108 739 HE21 GLN 94 2HE2 GLN 94 3.283 -18.503 5.946 740 HE22 GLN 94 1HE2 GLN 94 4.101 -17.014 5.607 741 H PHE 95 H PHE 95 0.214 -11.792 4.732 742 HA PHE 95 HA PHE 95 -1.403 -11.058 6.967 743 HB2 PHE 95 1HB PHE 95 0.826 -9.395 6.004 744 HB3 PHE 95 2HB PHE 95 -0.687 -8.562 5.706 745 HD1 PHE 95 1HD PHE 95 -2.263 -9.471 8.072 746 HD2 PHE 95 2HD PHE 95 1.765 -8.172 7.757 747 HE1 PHE 95 1HE PHE 95 -2.318 -8.717 10.466 748 HE2 PHE 95 2HE PHE 95 1.709 -7.418 10.150 749 HZ PHE 95 HZ PHE 95 -0.332 -7.699 11.476 750 H TYR 96 H TYR 96 -2.962 -9.091 6.036 751 HA TYR 96 HA TYR 96 -4.197 -10.314 3.750 752 HB2 TYR 96 1HB TYR 96 -4.742 -8.489 5.990 753 HB3 TYR 96 2HB TYR 96 -5.284 -7.729 4.506 754 HD1 TYR 96 2HD TYR 96 -5.535 -10.987 6.347 755 HD2 TYR 96 1HD TYR 96 -7.417 -8.209 3.692 756 HE1 TYR 96 2HE TYR 96 -7.675 -12.357 6.419 757 HE2 TYR 96 1HE TYR 96 -9.551 -9.589 3.773 758 HH TYR 96 HH TYR 96 -10.066 -11.976 6.087 759 H VAL 97 H VAL 97 -4.387 -9.498 1.662 760 HA VAL 97 HA VAL 97 -2.906 -7.013 1.150 761 HB VAL 97 HB VAL 97 -2.878 -9.606 -0.403 762 HG11 VAL 97 1HG1 VAL 97 -2.945 -7.257 -1.660 763 HG12 VAL 97 2HG1 VAL 97 -1.217 -7.261 -1.231 764 HG13 VAL 97 3HG1 VAL 97 -1.895 -8.587 -2.205 765 HG21 VAL 97 3HG2 VAL 97 -1.211 -8.568 1.668 766 HG22 VAL 97 1HG2 VAL 97 -1.013 -10.065 0.726 767 HG23 VAL 97 2HG2 VAL 97 -0.280 -8.549 0.151 768 H ILE 98 H ILE 98 -4.030 -5.489 0.022 769 HA ILE 98 HA ILE 98 -6.484 -6.414 -1.303 770 HB ILE 98 HB ILE 98 -6.253 -3.717 -0.017 771 HG12 ILE 98 1HG1 ILE 98 -5.705 -5.115 1.820 772 HG13 ILE 98 2HG1 ILE 98 -7.399 -4.703 1.990 773 HG21 ILE 98 1HG2 ILE 98 -8.403 -3.497 -0.566 774 HG22 ILE 98 2HG2 ILE 98 -8.161 -4.910 -1.621 775 HG23 ILE 98 3HG2 ILE 98 -8.812 -5.127 0.021 776 HD11 ILE 98 3HD1 ILE 98 -7.222 -7.092 0.376 777 HD12 ILE 98 1HD1 ILE 98 -6.231 -7.314 1.839 778 HD13 ILE 98 2HD1 ILE 98 -7.955 -6.894 1.987 779 H GLU 99 H GLU 99 -6.720 -5.813 -3.411 780 HA GLU 99 HA GLU 99 -4.572 -4.176 -4.457 781 HB2 GLU 99 1HB GLU 99 -5.412 -6.550 -5.351 782 HB3 GLU 99 2HB GLU 99 -6.590 -5.576 -6.208 783 HG2 GLU 99 1HG GLU 99 -4.311 -4.145 -6.748 784 HG3 GLU 99 2HG GLU 99 -3.628 -5.751 -6.592 785 HE2 GLU 99 HE GLU 99 -4.098 -4.844 -9.671 786 H PHE 100 H PHE 100 -5.080 -2.481 -6.104 787 HA PHE 100 HA PHE 100 -7.819 -1.540 -6.084 788 HB2 PHE 100 1HB PHE 100 -7.109 0.678 -5.232 789 HB3 PHE 100 2HB PHE 100 -6.598 -0.539 -4.079 790 HD1 PHE 100 1HD PHE 100 -5.304 1.287 -7.067 791 HD2 PHE 100 2HD PHE 100 -4.417 -0.492 -3.318 792 HE1 PHE 100 1HE PHE 100 -2.944 2.125 -7.228 793 HE2 PHE 100 2HE PHE 100 -2.056 0.346 -3.479 794 HZ PHE 100 HZ PHE 100 -1.348 1.645 -5.432 795 H LYS 101 H LYS 101 -8.192 0.175 -7.716 796 HA LYS 101 HA LYS 101 -6.004 0.611 -9.567 797 HB2 LYS 101 1HB LYS 101 -7.044 -0.323 -11.462 798 HB3 LYS 101 2HB LYS 101 -7.146 -1.554 -10.220 799 HG2 LYS 101 1HG LYS 101 -9.449 -1.342 -9.986 800 HG3 LYS 101 2HG LYS 101 -9.443 0.370 -10.361 801 HD2 LYS 101 1HD LYS 101 -8.699 -0.477 -12.785 802 HD3 LYS 101 2HD LYS 101 -9.416 -1.986 -12.257 803 HE2 LYS 101 1HE LYS 101 -11.030 0.502 -11.776 804 HE3 LYS 101 2HE LYS 101 -10.853 -0.003 -13.444 805 HZ1 LYS 101 2HZ LYS 101 -12.144 -1.821 -13.082 806 HZ3 LYS 101 1HZ LYS 101 -12.683 -1.028 -11.765 807 H CYS 102 H CYS 102 -6.301 2.491 -10.864 808 HA CYS 102 HA CYS 102 -8.295 4.259 -9.731 809 HB2 CYS 102 1HB CYS 102 -6.165 5.261 -9.765 810 HB3 CYS 102 2HB CYS 102 -5.805 4.687 -11.381 811 HG CYS 102 HG CYS 102 -8.552 6.371 -11.086 812 H LEU 103 H LEU 103 -10.208 4.659 -10.798 813 HA LEU 103 HA LEU 103 -10.713 3.386 -13.279 814 HB2 LEU 103 1HB LEU 103 -12.402 5.477 -11.917 815 HB3 LEU 103 2HB LEU 103 -12.917 4.251 -13.058 816 HG LEU 103 HG LEU 103 -11.701 3.419 -10.438 817 HD11 LEU 103 1HD1 LEU 103 -13.331 5.002 -9.707 818 HD12 LEU 103 2HD1 LEU 103 -14.543 4.375 -10.850 819 HD13 LEU 103 3HD1 LEU 103 -14.015 3.375 -9.476 820 HD21 LEU 103 3HD2 LEU 103 -12.434 1.944 -12.540 821 HD22 LEU 103 1HD2 LEU 103 -12.592 1.374 -10.861 822 HD23 LEU 103 2HD2 LEU 103 -14.007 2.036 -11.713 Start of MODEL 5 1 H1 MET 1 1H MET 1 -16.516 13.208 7.759 2 HA MET 1 HA MET 1 -15.707 13.043 4.958 3 HB2 MET 1 1HB MET 1 -14.506 14.516 7.348 4 HB3 MET 1 2HB MET 1 -13.505 14.114 5.968 5 HG2 MET 1 1HG MET 1 -14.993 15.384 4.458 6 HG3 MET 1 2HG MET 1 -16.117 15.689 5.766 7 HE1 MET 1 3HE MET 1 -14.818 19.240 5.633 8 HE2 MET 1 1HE MET 1 -15.092 18.220 4.201 9 HE3 MET 1 2HE MET 1 -16.192 18.110 5.597 10 H GLN 2 H GLN 2 -14.856 12.213 8.381 11 HA GLN 2 HA GLN 2 -13.871 10.487 9.256 12 HB2 GLN 2 1HB GLN 2 -14.573 9.208 6.589 13 HB3 GLN 2 2HB GLN 2 -13.756 8.309 7.851 14 HG2 GLN 2 1HG GLN 2 -15.926 7.829 8.478 15 HG3 GLN 2 2HG GLN 2 -15.751 9.335 9.359 16 HE21 GLN 2 2HE2 GLN 2 -18.321 8.932 6.210 17 HE22 GLN 2 1HE2 GLN 2 -17.261 7.676 6.757 18 HA PRO 3 HA PRO 3 -9.705 10.672 8.058 19 HB2 PRO 3 2HB PRO 3 -8.975 10.058 10.154 20 HB3 PRO 3 1HB PRO 3 -8.600 8.541 9.363 21 HG2 PRO 3 1HG PRO 3 -10.412 7.480 10.314 22 HG3 PRO 3 2HG PRO 3 -10.505 8.857 11.393 23 HD2 PRO 3 1HD PRO 3 -12.428 8.105 9.402 24 HD3 PRO 3 2HD PRO 3 -12.462 9.544 10.402 25 H ASN 4 H ASN 4 -7.735 9.434 7.137 26 HA ASN 4 HA ASN 4 -8.526 8.532 4.691 27 HB2 ASN 4 1HB ASN 4 -6.247 9.122 4.814 28 HB3 ASN 4 2HB ASN 4 -6.007 8.299 6.342 29 HD21 ASN 4 2HD2 ASN 4 -5.316 5.110 5.020 30 HD22 ASN 4 1HD2 ASN 4 -5.841 6.020 6.397 31 H ASP 5 H ASP 5 -8.232 6.244 3.768 32 HA ASP 5 HA ASP 5 -9.250 4.353 5.707 33 HB2 ASP 5 1HB ASP 5 -9.039 4.165 2.664 34 HB3 ASP 5 2HB ASP 5 -9.842 2.996 3.693 35 HD2 ASP 5 HD ASP 5 -11.424 4.648 5.254 36 H ILE 6 H ILE 6 -6.827 4.673 3.006 37 HA ILE 6 HA ILE 6 -5.077 2.854 4.466 38 HB ILE 6 HB ILE 6 -6.146 1.349 3.009 39 HG12 ILE 6 1HG1 ILE 6 -3.644 2.070 1.481 40 HG13 ILE 6 2HG1 ILE 6 -3.566 1.432 3.111 41 HG21 ILE 6 1HG2 ILE 6 -5.819 3.474 0.887 42 HG22 ILE 6 2HG2 ILE 6 -6.182 1.775 0.503 43 HG23 ILE 6 3HG2 ILE 6 -7.316 2.725 1.493 44 HD11 ILE 6 3HD1 ILE 6 -5.411 -0.247 1.761 45 HD12 ILE 6 1HD1 ILE 6 -4.077 0.020 0.614 46 HD13 ILE 6 2HD1 ILE 6 -3.741 -0.646 2.230 47 H THR 7 H THR 7 -2.857 3.283 4.164 48 HA THR 7 HA THR 7 -2.355 5.804 2.729 49 HB THR 7 HB THR 7 -0.280 5.677 4.391 50 HG1 THR 7 1HG THR 7 -0.872 3.456 5.026 51 HG21 THR 7 3HG2 THR 7 -3.111 6.490 4.866 52 HG22 THR 7 1HG2 THR 7 -2.177 6.176 6.348 53 HG23 THR 7 2HG2 THR 7 -1.610 7.393 5.180 54 H PHE 8 H PHE 8 -0.044 6.009 1.885 55 HA PHE 8 HA PHE 8 1.135 3.499 1.109 56 HB2 PHE 8 1HB PHE 8 0.186 5.556 -0.966 57 HB3 PHE 8 2HB PHE 8 0.851 3.970 -1.305 58 HD1 PHE 8 2HD PHE 8 -2.065 5.643 0.284 59 HD2 PHE 8 1HD PHE 8 -0.568 2.136 -1.577 60 HE1 PHE 8 2HE PHE 8 -4.383 4.684 0.229 61 HE2 PHE 8 1HE PHE 8 -2.887 1.176 -1.633 62 HZ PHE 8 HZ PHE 8 -4.767 2.462 -0.729 63 H PHE 9 H PHE 9 3.260 3.845 1.536 64 HA PHE 9 HA PHE 9 4.503 6.100 2.141 65 HB2 PHE 9 1HB PHE 9 5.407 3.703 1.987 66 HB3 PHE 9 2HB PHE 9 5.557 3.909 0.253 67 HD1 PHE 9 1HD PHE 9 6.356 6.563 2.684 68 HD2 PHE 9 2HD PHE 9 7.911 3.545 0.138 69 HE1 PHE 9 1HE PHE 9 8.667 7.493 2.994 70 HE2 PHE 9 2HE PHE 9 10.222 4.474 0.449 71 HZ PHE 9 HZ PHE 9 10.572 6.437 1.873 72 H GLN 10 H GLN 10 5.990 7.602 1.019 73 HA GLN 10 HA GLN 10 4.805 8.948 -0.988 74 HB2 GLN 10 1HB GLN 10 7.308 9.723 -1.462 75 HB3 GLN 10 2HB GLN 10 6.498 10.157 0.030 76 HG2 GLN 10 1HG GLN 10 7.931 8.914 1.291 77 HG3 GLN 10 2HG GLN 10 7.758 7.515 0.250 78 HE21 GLN 10 2HE2 GLN 10 11.076 9.777 0.168 79 HE22 GLN 10 1HE2 GLN 10 9.820 9.854 1.359 80 H ARG 11 H ARG 11 7.446 6.475 -1.300 81 HA ARG 11 HA ARG 11 7.748 6.632 -3.994 82 HB2 ARG 11 1HB ARG 11 7.901 4.147 -2.214 83 HB3 ARG 11 2HB ARG 11 8.579 4.249 -3.826 84 HG2 ARG 11 1HG ARG 11 9.761 6.446 -2.799 85 HG3 ARG 11 2HG ARG 11 9.494 5.597 -1.289 86 HD2 ARG 11 1HD ARG 11 11.585 4.737 -1.882 87 HD3 ARG 11 2HD ARG 11 10.541 3.524 -2.597 88 HE ARG 11 HE ARG 11 11.189 4.249 -4.729 89 HH11 ARG 11 2HH2 ARG 11 12.068 6.732 -2.359 90 HH12 ARG 11 1HH2 ARG 11 12.960 7.682 -3.501 91 HH21 ARG 11 1HH ARG 11 13.121 6.940 -5.773 92 H PHE 12 H PHE 12 5.418 4.666 -2.045 93 HA PHE 12 HA PHE 12 4.330 3.269 -4.214 94 HB2 PHE 12 1HB PHE 12 4.191 3.150 -1.503 95 HB3 PHE 12 2HB PHE 12 2.758 4.128 -1.750 96 HD1 PHE 12 2HD PHE 12 1.436 3.045 -4.031 97 HD2 PHE 12 1HD PHE 12 3.603 0.980 -1.023 98 HE1 PHE 12 2HE PHE 12 0.100 0.971 -4.493 99 HE2 PHE 12 1HE PHE 12 2.267 -1.094 -1.485 100 HZ PHE 12 HZ PHE 12 0.532 -1.074 -3.215 101 H GLN 13 H GLN 13 3.536 6.422 -2.672 102 HA GLN 13 HA GLN 13 1.104 6.791 -3.913 103 HB2 GLN 13 1HB GLN 13 2.958 8.330 -2.315 104 HB3 GLN 13 2HB GLN 13 2.404 9.334 -3.640 105 HG2 GLN 13 1HG GLN 13 0.204 7.776 -2.441 106 HG3 GLN 13 2HG GLN 13 1.002 8.799 -1.263 107 HE21 GLN 13 2HE2 GLN 13 -1.773 10.414 -3.478 108 HE22 GLN 13 1HE2 GLN 13 -1.611 8.785 -2.913 109 H ASP 14 H ASP 14 4.447 7.748 -4.932 110 HA ASP 14 HA ASP 14 3.702 9.106 -7.198 111 HB2 ASP 14 1HB ASP 14 5.972 9.256 -6.409 112 HB3 ASP 14 2HB ASP 14 6.183 7.517 -6.445 113 HD2 ASP 14 HD ASP 14 6.515 10.323 -8.144 114 H ASP 15 H ASP 15 4.617 5.629 -6.657 115 HA ASP 15 HA ASP 15 4.563 4.775 -9.228 116 HB2 ASP 15 1HB ASP 15 5.211 3.439 -7.188 117 HB3 ASP 15 2HB ASP 15 3.515 3.284 -6.775 118 HD2 ASP 15 HD ASP 15 2.476 1.306 -8.922 119 H ILE 16 H ILE 16 1.894 5.390 -6.900 120 HA ILE 16 HA ILE 16 -0.135 4.154 -8.421 121 HB ILE 16 HB ILE 16 -0.127 6.179 -6.193 122 HG12 ILE 16 1HG1 ILE 16 -1.087 3.314 -6.150 123 HG13 ILE 16 2HG1 ILE 16 0.588 3.735 -5.856 124 HG21 ILE 16 1HG2 ILE 16 -2.228 6.720 -6.654 125 HG22 ILE 16 2HG2 ILE 16 -2.273 5.581 -8.020 126 HG23 ILE 16 3HG2 ILE 16 -2.686 5.022 -6.381 127 HD11 ILE 16 3HD1 ILE 16 -1.856 4.569 -4.249 128 HD12 ILE 16 1HD1 ILE 16 -0.422 3.672 -3.692 129 HD13 ILE 16 2HD1 ILE 16 -0.293 5.404 -4.082 130 H LEU 17 H LEU 17 1.150 7.518 -8.199 131 HA LEU 17 HA LEU 17 -0.757 8.692 -9.846 132 HB2 LEU 17 1HB LEU 17 0.370 10.491 -9.279 133 HB3 LEU 17 2HB LEU 17 1.504 9.464 -8.426 134 HG LEU 17 HG LEU 17 2.637 9.266 -10.812 135 HD11 LEU 17 1HD1 LEU 17 1.594 10.471 -12.374 136 HD12 LEU 17 2HD1 LEU 17 0.659 11.392 -11.172 137 HD13 LEU 17 3HD1 LEU 17 2.317 11.892 -11.583 138 HD21 LEU 17 3HD2 LEU 17 2.942 11.099 -8.551 139 HD22 LEU 17 1HD2 LEU 17 4.158 10.145 -9.435 140 HD23 LEU 17 2HD2 LEU 17 3.635 11.726 -10.066 141 H ALA 18 H ALA 18 1.970 6.568 -10.536 142 HA ALA 18 HA ALA 18 1.996 7.273 -13.336 143 HB1 ALA 18 3HB ALA 18 3.946 6.470 -11.719 144 HB2 ALA 18 1HB ALA 18 3.366 4.854 -12.189 145 HB3 ALA 18 2HB ALA 18 3.927 5.996 -13.434 146 H GLY 19 H GLY 19 -0.298 5.859 -11.549 147 HA2 GLY 19 1HA GLY 19 -2.068 4.593 -12.173 148 HA3 GLY 19 2HA GLY 19 -1.341 4.348 -13.748 149 H ARG 20 H ARG 20 -1.074 2.201 -14.162 150 HA ARG 20 HA ARG 20 -0.862 0.060 -13.793 151 HB2 ARG 20 1HB ARG 20 1.589 1.410 -13.177 152 HB3 ARG 20 2HB ARG 20 1.451 0.106 -12.014 153 HG2 ARG 20 1HG ARG 20 0.657 -1.047 -14.478 154 HG3 ARG 20 2HG ARG 20 2.023 -0.028 -14.888 155 HD2 ARG 20 1HD ARG 20 2.484 -1.554 -12.401 156 HD3 ARG 20 2HD ARG 20 2.159 -2.602 -13.768 157 HE ARG 20 HE ARG 20 4.197 -1.955 -14.733 158 HH11 ARG 20 2HH2 ARG 20 3.381 0.307 -12.131 159 HH12 ARG 20 1HH2 ARG 20 4.916 1.109 -12.178 160 HH21 ARG 20 1HH ARG 20 6.571 0.384 -13.752 161 H LYS 21 H LYS 21 -2.644 -0.604 -12.513 162 HA LYS 21 HA LYS 21 -3.193 -0.073 -9.944 163 HB2 LYS 21 1HB LYS 21 -4.531 -2.056 -9.918 164 HB3 LYS 21 2HB LYS 21 -4.582 -1.390 -11.537 165 HG2 LYS 21 1HG LYS 21 -2.335 -3.256 -11.238 166 HG3 LYS 21 2HG LYS 21 -3.851 -4.025 -10.812 167 HD2 LYS 21 1HD LYS 21 -4.688 -3.898 -12.964 168 HD3 LYS 21 2HD LYS 21 -3.936 -2.348 -13.284 169 HE2 LYS 21 1HE LYS 21 -1.670 -3.670 -13.271 170 HE3 LYS 21 2HE LYS 21 -2.663 -5.108 -13.410 171 HZ1 LYS 21 2HZ LYS 21 -3.700 -3.481 -15.319 172 HZ3 LYS 21 1HZ LYS 21 -2.600 -4.646 -15.609 173 H THR 22 H THR 22 -2.729 -0.965 -7.869 174 HA THR 22 HA THR 22 -0.467 -2.810 -7.749 175 HB THR 22 HB THR 22 -0.547 -0.150 -6.238 176 HG1 THR 22 1HG THR 22 -0.081 0.428 -8.362 177 HG21 THR 22 3HG2 THR 22 1.343 -0.923 -5.214 178 HG22 THR 22 1HG2 THR 22 1.069 -2.509 -5.974 179 HG23 THR 22 2HG2 THR 22 2.069 -1.288 -6.798 180 H ILE 23 H ILE 23 -0.312 -3.999 -5.790 181 HA ILE 23 HA ILE 23 -2.883 -4.076 -4.411 182 HB ILE 23 HB ILE 23 -0.960 -6.163 -3.768 183 HG12 ILE 23 1HG1 ILE 23 -1.456 -7.186 -6.173 184 HG13 ILE 23 2HG1 ILE 23 -1.467 -5.497 -6.641 185 HG21 ILE 23 1HG2 ILE 23 -2.820 -7.407 -3.624 186 HG22 ILE 23 2HG2 ILE 23 -3.668 -5.844 -3.707 187 HG23 ILE 23 3HG2 ILE 23 -3.460 -6.824 -5.179 188 HD11 ILE 23 3HD1 ILE 23 0.799 -5.822 -6.828 189 HD12 ILE 23 1HD1 ILE 23 0.774 -5.518 -5.075 190 HD13 ILE 23 2HD1 ILE 23 0.798 -7.189 -5.688 191 H THR 24 H THR 24 -2.914 -4.322 -2.034 192 HA THR 24 HA THR 24 -0.551 -3.089 -0.783 193 HB THR 24 HB THR 24 -2.052 -1.663 0.505 194 HG1 THR 24 1HG THR 24 -4.153 -3.069 -0.978 195 HG21 THR 24 3HG2 THR 24 -3.581 -0.663 -1.368 196 HG22 THR 24 1HG2 THR 24 -1.822 -0.590 -1.631 197 HG23 THR 24 2HG2 THR 24 -2.793 -1.838 -2.448 198 H ILE 25 H ILE 25 -0.761 -3.337 1.741 199 HA ILE 25 HA ILE 25 -1.825 -6.005 2.306 200 HB ILE 25 HB ILE 25 0.930 -5.040 3.081 201 HG12 ILE 25 1HG1 ILE 25 1.354 -7.234 1.548 202 HG13 ILE 25 2HG1 ILE 25 -0.065 -6.586 0.749 203 HG21 ILE 25 1HG2 ILE 25 0.453 -7.878 3.336 204 HG22 ILE 25 2HG2 ILE 25 1.012 -6.702 4.550 205 HG23 ILE 25 3HG2 ILE 25 -0.731 -6.952 4.289 206 HD11 ILE 25 3HD1 ILE 25 2.663 -5.341 1.081 207 HD12 ILE 25 1HD1 ILE 25 1.630 -5.427 -0.365 208 HD13 ILE 25 2HD1 ILE 25 1.246 -4.274 0.935 209 H ARG 26 H ARG 26 -2.841 -6.187 4.281 210 HA ARG 26 HA ARG 26 -2.516 -3.908 6.051 211 HB2 ARG 26 1HB ARG 26 -5.230 -5.050 6.135 212 HB3 ARG 26 2HB ARG 26 -4.742 -3.373 5.994 213 HG2 ARG 26 1HG ARG 26 -4.560 -5.290 3.635 214 HG3 ARG 26 2HG ARG 26 -6.035 -4.416 3.995 215 HD2 ARG 26 1HD ARG 26 -3.384 -2.945 3.732 216 HD3 ARG 26 2HD ARG 26 -4.330 -3.346 2.312 217 HE ARG 26 HE ARG 26 -6.046 -1.841 3.022 218 HH11 ARG 26 2HH2 ARG 26 -3.415 -2.016 5.389 219 HH12 ARG 26 1HH2 ARG 26 -3.917 -0.591 6.237 220 HH21 ARG 26 1HH ARG 26 -5.855 0.601 5.484 221 H ASP 27 H ASP 27 -3.693 -4.510 8.302 222 HA ASP 27 HA ASP 27 -2.755 -7.191 8.902 223 HB2 ASP 27 1HB ASP 27 -1.731 -5.429 10.248 224 HB3 ASP 27 2HB ASP 27 -3.295 -4.737 10.631 225 HD2 ASP 27 HD ASP 27 -2.139 -5.062 12.727 226 H GLU 28 H GLU 28 -4.286 -8.763 9.476 227 HA GLU 28 HA GLU 28 -6.935 -8.392 9.082 228 HB2 GLU 28 1HB GLU 28 -6.046 -10.616 9.161 229 HB3 GLU 28 2HB GLU 28 -5.419 -10.400 10.784 230 HG2 GLU 28 1HG GLU 28 -7.483 -11.763 10.827 231 HG3 GLU 28 2HG GLU 28 -7.725 -10.257 11.689 232 HE2 GLU 28 HE GLU 28 -9.933 -9.566 11.011 233 H SER 29 H SER 29 -5.032 -7.972 12.102 234 HA SER 29 HA SER 29 -7.181 -7.733 13.817 235 HB2 SER 29 1HB SER 29 -5.588 -6.665 15.353 236 HB3 SER 29 2HB SER 29 -4.830 -8.024 14.548 237 HG SER 29 HG SER 29 -4.541 -5.565 13.203 238 H GLU 30 H GLU 30 -6.044 -5.659 11.277 239 HA GLU 30 HA GLU 30 -7.663 -3.497 12.381 240 HB2 GLU 30 1HB GLU 30 -4.991 -3.491 11.052 241 HB3 GLU 30 2HB GLU 30 -6.084 -2.221 10.540 242 HG2 GLU 30 1HG GLU 30 -6.493 -1.890 13.141 243 HG3 GLU 30 2HG GLU 30 -4.983 -2.763 13.312 244 HE2 GLU 30 HE GLU 30 -4.635 0.821 13.165 245 H SER 31 H SER 31 -8.190 -5.967 10.557 246 HA SER 31 HA SER 31 -8.494 -5.455 7.993 247 HB2 SER 31 1HB SER 31 -9.672 -7.373 8.145 248 HB3 SER 31 2HB SER 31 -9.712 -7.188 9.887 249 HG SER 31 HG SER 31 -11.857 -7.296 9.248 250 H HIS 32 H HIS 32 -9.634 -4.070 6.639 251 HA HIS 32 HA HIS 32 -11.548 -2.303 7.983 252 HB2 HIS 32 1HB HIS 32 -10.897 -0.550 6.468 253 HB3 HIS 32 2HB HIS 32 -9.477 -1.172 7.284 254 HD1 HIS 32 1HD HIS 32 -8.198 -3.190 5.737 255 HD2 HIS 32 2HD HIS 32 -10.509 -0.284 3.785 256 HE1 HIS 32 1HE HIS 32 -7.431 -3.183 3.303 257 H PHE 33 H PHE 33 -11.919 -1.333 4.973 258 HA PHE 33 HA PHE 33 -14.306 -2.711 4.565 259 HB2 PHE 33 1HB PHE 33 -12.558 -1.371 2.433 260 HB3 PHE 33 2HB PHE 33 -14.309 -1.399 2.494 261 HD1 PHE 33 1HD PHE 33 -14.075 -0.786 5.667 262 HD2 PHE 33 2HD PHE 33 -12.744 1.085 2.098 263 HE1 PHE 33 1HE PHE 33 -14.070 1.437 6.834 264 HE2 PHE 33 2HE PHE 33 -12.739 3.307 3.265 265 HZ PHE 33 HZ PHE 33 -13.402 3.457 5.619 266 H LYS 34 H LYS 34 -14.403 -3.387 1.846 267 HA LYS 34 HA LYS 34 -12.402 -5.503 1.571 268 HB2 LYS 34 1HB LYS 34 -15.398 -5.911 1.329 269 HB3 LYS 34 2HB LYS 34 -14.173 -7.100 0.936 270 HG2 LYS 34 1HG LYS 34 -13.554 -6.136 3.564 271 HG3 LYS 34 2HG LYS 34 -15.282 -6.425 3.536 272 HD2 LYS 34 1HD LYS 34 -15.037 -8.723 3.078 273 HD3 LYS 34 2HD LYS 34 -13.460 -8.519 2.341 274 HE2 LYS 34 1HE LYS 34 -12.581 -9.196 4.329 275 HE3 LYS 34 2HE LYS 34 -13.027 -7.621 4.955 276 HZ1 LYS 34 2HZ LYS 34 -15.251 -9.432 4.938 277 HZ3 LYS 34 1HZ LYS 34 -14.662 -8.551 6.175 278 H THR 35 H THR 35 -13.508 -6.617 -0.810 279 HA THR 35 HA THR 35 -12.655 -4.606 -2.661 280 HB THR 35 HB THR 35 -13.875 -7.362 -3.189 281 HG1 THR 35 1HG THR 35 -11.106 -6.511 -2.739 282 HG21 THR 35 3HG2 THR 35 -11.711 -5.735 -4.625 283 HG22 THR 35 1HG2 THR 35 -12.302 -7.343 -5.107 284 HG23 THR 35 2HG2 THR 35 -13.381 -5.931 -5.208 285 H GLY 36 H GLY 36 -13.833 -3.662 -4.382 286 HA2 GLY 36 1HA GLY 36 -15.752 -3.085 -5.517 287 HA3 GLY 36 2HA GLY 36 -16.730 -3.957 -4.352 288 H ASP 37 H ASP 37 -14.899 -2.496 -2.186 289 HA ASP 37 HA ASP 37 -16.760 -0.354 -1.884 290 HB2 ASP 37 1HB ASP 37 -14.936 -1.886 -0.211 291 HB3 ASP 37 2HB ASP 37 -14.645 -0.177 0.043 292 HD2 ASP 37 HD ASP 37 -17.322 0.459 1.812 293 H VAL 38 H VAL 38 -15.183 1.639 -0.619 294 HA VAL 38 HA VAL 38 -13.446 2.479 -2.833 295 HB VAL 38 HB VAL 38 -15.546 3.771 -1.281 296 HG11 VAL 38 1HG1 VAL 38 -13.960 4.923 -0.012 297 HG12 VAL 38 2HG1 VAL 38 -12.803 5.022 -1.362 298 HG13 VAL 38 3HG1 VAL 38 -14.271 6.030 -1.372 299 HG21 VAL 38 3HG2 VAL 38 -14.705 3.580 -3.940 300 HG22 VAL 38 1HG2 VAL 38 -16.043 4.571 -3.309 301 HG23 VAL 38 2HG2 VAL 38 -14.422 5.282 -3.502 302 H LEU 39 H LEU 39 -11.377 3.348 -2.362 303 HA LEU 39 HA LEU 39 -10.541 3.009 0.430 304 HB2 LEU 39 1HB LEU 39 -9.318 1.918 -2.077 305 HB3 LEU 39 2HB LEU 39 -8.290 2.337 -0.721 306 HG LEU 39 HG LEU 39 -10.652 0.475 -0.427 307 HD11 LEU 39 1HD1 LEU 39 -9.289 -1.411 -0.833 308 HD12 LEU 39 2HD1 LEU 39 -9.005 -0.299 -2.194 309 HD13 LEU 39 3HD1 LEU 39 -7.805 -0.429 -0.886 310 HD21 LEU 39 3HD2 LEU 39 -9.886 -0.001 1.666 311 HD22 LEU 39 1HD2 LEU 39 -8.188 0.334 1.249 312 HD23 LEU 39 2HD2 LEU 39 -9.318 1.681 1.526 313 H ARG 40 H ARG 40 -10.167 5.025 1.185 314 HA ARG 40 HA ARG 40 -9.617 7.136 -0.561 315 HB2 ARG 40 1HB ARG 40 -10.128 6.742 2.289 316 HB3 ARG 40 2HB ARG 40 -8.805 7.872 2.083 317 HG2 ARG 40 1HG ARG 40 -10.360 9.475 1.675 318 HG3 ARG 40 2HG ARG 40 -10.661 8.690 0.137 319 HD2 ARG 40 1HD ARG 40 -12.617 7.673 0.871 320 HD3 ARG 40 2HD ARG 40 -12.028 7.467 2.509 321 HE ARG 40 HE ARG 40 -12.267 10.174 2.406 322 HH11 ARG 40 2HH2 ARG 40 -14.506 7.632 1.365 323 HH12 ARG 40 1HH2 ARG 40 -15.921 8.590 1.650 324 HH21 ARG 40 1HH ARG 40 -15.679 10.824 2.483 325 H VAL 41 H VAL 41 -7.665 7.519 -1.561 326 HA VAL 41 HA VAL 41 -5.281 6.318 -0.445 327 HB VAL 41 HB VAL 41 -5.880 6.176 -2.848 328 HG11 VAL 41 1HG1 VAL 41 -5.712 9.156 -2.611 329 HG12 VAL 41 2HG1 VAL 41 -5.163 8.392 -4.122 330 HG13 VAL 41 3HG1 VAL 41 -6.832 8.144 -3.553 331 HG21 VAL 41 3HG2 VAL 41 -3.558 7.049 -3.658 332 HG22 VAL 41 1HG2 VAL 41 -3.285 7.400 -1.935 333 HG23 VAL 41 2HG2 VAL 41 -3.630 5.735 -2.460 334 H GLY 42 H GLY 42 -3.400 7.497 0.184 335 HA2 GLY 42 1HA GLY 42 -3.551 10.394 0.293 336 HA3 GLY 42 2HA GLY 42 -3.639 9.581 1.842 337 H ARG 43 H ARG 43 -1.650 9.889 2.788 338 HA ARG 43 HA ARG 43 0.544 8.593 1.525 339 HB2 ARG 43 1HB ARG 43 0.363 11.186 0.802 340 HB3 ARG 43 2HB ARG 43 1.124 11.440 2.360 341 HG2 ARG 43 1HG ARG 43 3.112 10.390 1.729 342 HG3 ARG 43 2HG ARG 43 2.317 9.317 0.594 343 HD2 ARG 43 1HD ARG 43 3.250 10.743 -0.962 344 HD3 ARG 43 2HD ARG 43 1.800 11.677 -0.653 345 HE ARG 43 HE ARG 43 3.468 12.634 1.288 346 HH11 ARG 43 2HH2 ARG 43 3.973 12.130 -2.183 347 HH12 ARG 43 1HH2 ARG 43 5.123 13.416 -2.329 348 HH21 ARG 43 1HH ARG 43 5.704 14.698 -0.389 349 H PHE 44 H PHE 44 2.213 8.051 3.078 350 HA PHE 44 HA PHE 44 1.279 8.061 5.770 351 HB2 PHE 44 1HB PHE 44 2.845 6.448 4.187 352 HB3 PHE 44 2HB PHE 44 4.118 7.384 4.944 353 HD1 PHE 44 2HD PHE 44 3.602 7.665 7.645 354 HD2 PHE 44 1HD PHE 44 2.461 4.411 5.171 355 HE1 PHE 44 2HE PHE 44 3.507 6.168 9.658 356 HE2 PHE 44 1HE PHE 44 2.366 2.914 7.184 357 HZ PHE 44 HZ PHE 44 2.890 3.810 9.403 358 H GLU 45 H GLU 45 3.703 9.859 3.844 359 HA GLU 45 HA GLU 45 5.264 10.863 5.797 360 HB2 GLU 45 1HB GLU 45 4.756 11.406 3.070 361 HB3 GLU 45 2HB GLU 45 4.561 12.953 3.870 362 HG2 GLU 45 1HG GLU 45 6.787 13.089 4.464 363 HG3 GLU 45 2HG GLU 45 6.922 11.371 4.779 364 HE2 GLU 45 HE GLU 45 7.747 12.924 1.222 365 H ASP 46 H ASP 46 2.071 12.155 4.665 366 HA ASP 46 HA ASP 46 1.167 12.861 7.101 367 HB2 ASP 46 1HB ASP 46 2.124 14.819 7.722 368 HB3 ASP 46 2HB ASP 46 3.282 14.598 6.425 369 HD2 ASP 46 HD ASP 46 3.016 17.174 5.344 370 H ASP 47 H ASP 47 1.619 13.797 3.665 371 HA ASP 47 HA ASP 47 -0.389 15.367 3.073 372 HB2 ASP 47 1HB ASP 47 1.103 13.329 1.703 373 HB3 ASP 47 2HB ASP 47 -0.571 13.138 1.222 374 HD2 ASP 47 HD ASP 47 1.201 13.960 -0.690 375 H GLY 48 H GLY 48 -0.604 11.962 4.126 376 HA2 GLY 48 1HA GLY 48 -2.345 10.563 4.470 377 HA3 GLY 48 2HA GLY 48 -3.098 11.983 5.169 378 H TYR 49 H TYR 49 -5.200 11.178 4.454 379 HA TYR 49 HA TYR 49 -5.984 10.372 2.026 380 HB2 TYR 49 1HB TYR 49 -7.613 10.618 3.784 381 HB3 TYR 49 2HB TYR 49 -7.080 12.242 4.168 382 HD1 TYR 49 2HD TYR 49 -8.603 10.409 1.260 383 HD2 TYR 49 1HD TYR 49 -8.516 13.975 3.622 384 HE1 TYR 49 2HE TYR 49 -10.520 11.369 -0.106 385 HE2 TYR 49 1HE TYR 49 -10.433 14.923 2.247 386 HH TYR 49 HH TYR 49 -12.055 12.953 -0.182 387 H PHE 50 H PHE 50 -5.696 11.093 -0.019 388 HA PHE 50 HA PHE 50 -5.644 14.007 -0.384 389 HB2 PHE 50 1HB PHE 50 -3.634 12.044 -0.826 390 HB3 PHE 50 2HB PHE 50 -4.319 12.286 -2.420 391 HD1 PHE 50 2HD PHE 50 -3.624 14.655 0.386 392 HD2 PHE 50 1HD PHE 50 -2.884 13.597 -3.657 393 HE1 PHE 50 2HE PHE 50 -2.228 16.721 0.100 394 HE2 PHE 50 1HE PHE 50 -1.489 15.664 -3.942 395 HZ PHE 50 HZ PHE 50 -1.177 17.201 -2.060 396 H CYS 51 H CYS 51 -6.525 10.773 -1.687 397 HA CYS 51 HA CYS 51 -8.672 12.048 -3.136 398 HB2 CYS 51 1HB CYS 51 -6.782 10.213 -4.636 399 HB3 CYS 51 2HB CYS 51 -8.159 11.086 -5.278 400 HG CYS 51 HG CYS 51 -5.256 11.888 -5.329 401 H THR 52 H THR 52 -9.824 9.941 -4.387 402 HA THR 52 HA THR 52 -9.774 7.717 -2.464 403 HB THR 52 HB THR 52 -12.290 8.999 -3.645 404 HG1 THR 52 1HG THR 52 -12.010 10.405 -1.959 405 HG21 THR 52 3HG2 THR 52 -13.282 7.164 -2.703 406 HG22 THR 52 1HG2 THR 52 -11.733 6.619 -2.017 407 HG23 THR 52 2HG2 THR 52 -12.741 7.781 -1.123 408 H ILE 53 H ILE 53 -10.324 5.656 -3.299 409 HA ILE 53 HA ILE 53 -10.712 5.517 -6.175 410 HB ILE 53 HB ILE 53 -8.793 4.468 -6.715 411 HG12 ILE 53 1HG1 ILE 53 -7.387 3.436 -4.625 412 HG13 ILE 53 2HG1 ILE 53 -9.023 3.248 -4.024 413 HG21 ILE 53 1HG2 ILE 53 -8.132 6.669 -5.968 414 HG22 ILE 53 2HG2 ILE 53 -7.951 6.087 -4.296 415 HG23 ILE 53 3HG2 ILE 53 -6.856 5.495 -5.568 416 HD11 ILE 53 3HD1 ILE 53 -7.658 1.829 -6.222 417 HD12 ILE 53 1HD1 ILE 53 -9.087 1.348 -5.276 418 HD13 ILE 53 2HD1 ILE 53 -9.270 2.429 -6.678 419 H GLU 54 H GLU 54 -11.042 3.081 -6.795 420 HA GLU 54 HA GLU 54 -12.605 1.929 -4.618 421 HB2 GLU 54 1HB GLU 54 -13.516 2.726 -7.087 422 HB3 GLU 54 2HB GLU 54 -13.155 1.042 -7.410 423 HG2 GLU 54 1HG GLU 54 -14.693 0.257 -5.779 424 HG3 GLU 54 2HG GLU 54 -14.706 1.780 -4.912 425 HE2 GLU 54 HE GLU 54 -17.012 2.088 -5.217 426 H VAL 55 H VAL 55 -12.286 -0.244 -4.055 427 HA VAL 55 HA VAL 55 -9.807 -1.362 -4.630 428 HB VAL 55 HB VAL 55 -12.078 -3.099 -3.808 429 HG11 VAL 55 1HG1 VAL 55 -10.363 -3.645 -1.990 430 HG12 VAL 55 2HG1 VAL 55 -9.939 -4.096 -3.659 431 HG13 VAL 55 3HG1 VAL 55 -9.222 -2.644 -2.920 432 HG21 VAL 55 3HG2 VAL 55 -11.708 -1.988 -1.437 433 HG22 VAL 55 1HG2 VAL 55 -11.300 -0.559 -2.417 434 HG23 VAL 55 2HG2 VAL 55 -12.897 -1.328 -2.586 435 H THR 56 H THR 56 -9.382 -3.491 -5.716 436 HA THR 56 HA THR 56 -11.169 -3.856 -8.029 437 HB THR 56 HB THR 56 -9.056 -2.593 -8.595 438 HG1 THR 56 1HG THR 56 -8.863 -3.958 -10.397 439 HG21 THR 56 3HG2 THR 56 -6.917 -3.504 -8.276 440 HG22 THR 56 1HG2 THR 56 -7.715 -4.087 -6.796 441 HG23 THR 56 2HG2 THR 56 -7.533 -5.172 -8.195 442 H ALA 57 H ALA 57 -8.833 -5.293 -5.712 443 HA ALA 57 HA ALA 57 -10.347 -7.701 -5.688 444 HB1 ALA 57 3HB ALA 57 -8.041 -7.454 -7.499 445 HB2 ALA 57 1HB ALA 57 -7.891 -8.809 -6.354 446 HB3 ALA 57 2HB ALA 57 -9.307 -8.703 -7.427 447 H THR 58 H THR 58 -9.148 -9.363 -4.204 448 HA THR 58 HA THR 58 -7.249 -8.083 -2.414 449 HB THR 58 HB THR 58 -10.121 -8.815 -1.730 450 HG1 THR 58 1HG THR 58 -9.984 -6.653 -1.090 451 HG21 THR 58 3HG2 THR 58 -9.016 -8.194 0.693 452 HG22 THR 58 1HG2 THR 58 -9.260 -9.873 0.154 453 HG23 THR 58 2HG2 THR 58 -7.665 -9.103 -0.025 454 H SER 59 H SER 59 -6.082 -9.562 -1.087 455 HA SER 59 HA SER 59 -6.684 -12.333 -1.389 456 HB2 SER 59 1HB SER 59 -3.956 -12.288 -2.119 457 HB3 SER 59 2HB SER 59 -5.309 -12.756 -3.129 458 HG SER 59 HG SER 59 -4.873 -11.044 -4.322 459 H THR 60 H THR 60 -4.878 -13.671 -0.168 460 HA THR 60 HA THR 60 -3.960 -12.028 2.102 461 HB THR 60 HB THR 60 -4.138 -14.585 3.079 462 HG1 THR 60 1HG THR 60 -5.825 -15.609 1.924 463 HG21 THR 60 3HG2 THR 60 -6.841 -13.426 2.910 464 HG22 THR 60 1HG2 THR 60 -5.824 -13.690 4.347 465 HG23 THR 60 2HG2 THR 60 -5.632 -12.207 3.381 466 H VAL 61 H VAL 61 -1.855 -11.578 1.833 467 HA VAL 61 HA VAL 61 -0.046 -13.793 1.722 468 HB VAL 61 HB VAL 61 0.632 -11.902 -0.402 469 HG11 VAL 61 1HG1 VAL 61 0.435 -14.616 -1.283 470 HG12 VAL 61 2HG1 VAL 61 1.895 -13.657 -0.942 471 HG13 VAL 61 3HG1 VAL 61 1.132 -14.609 0.355 472 HG21 VAL 61 3HG2 VAL 61 -1.867 -11.996 -0.643 473 HG22 VAL 61 1HG2 VAL 61 -0.967 -12.618 -2.047 474 HG23 VAL 61 2HG2 VAL 61 -1.722 -13.751 -0.901 475 H THR 62 H THR 62 2.332 -12.785 1.627 476 HA THR 62 HA THR 62 2.440 -10.963 3.802 477 HB THR 62 HB THR 62 4.928 -11.314 2.286 478 HG1 THR 62 1HG THR 62 4.706 -13.748 2.596 479 HG21 THR 62 3HG2 THR 62 5.741 -11.914 4.363 480 HG22 THR 62 1HG2 THR 62 4.194 -11.264 4.957 481 HG23 THR 62 2HG2 THR 62 4.376 -13.013 4.676 482 H LEU 63 H LEU 63 4.788 -9.444 2.826 483 HA LEU 63 HA LEU 63 3.246 -7.432 1.360 484 HB2 LEU 63 1HB LEU 63 5.066 -5.901 2.204 485 HB3 LEU 63 2HB LEU 63 3.933 -6.529 3.383 486 HG LEU 63 HG LEU 63 6.099 -8.348 3.346 487 HD11 LEU 63 1HD1 LEU 63 7.130 -5.517 3.632 488 HD12 LEU 63 2HD1 LEU 63 8.054 -7.037 3.715 489 HD13 LEU 63 3HD1 LEU 63 7.343 -6.510 2.170 490 HD21 LEU 63 3HD2 LEU 63 5.838 -8.164 5.553 491 HD22 LEU 63 1HD2 LEU 63 6.134 -6.409 5.531 492 HD23 LEU 63 2HD2 LEU 63 4.506 -7.040 5.186 493 H ASP 64 H ASP 64 6.723 -8.471 1.627 494 HA ASP 64 HA ASP 64 7.341 -7.519 -0.897 495 HB2 ASP 64 1HB ASP 64 8.745 -8.529 1.245 496 HB3 ASP 64 2HB ASP 64 8.877 -9.872 0.127 497 HD2 ASP 64 HD ASP 64 11.270 -9.064 -1.339 498 H THR 65 H THR 65 5.376 -10.120 0.047 499 HA THR 65 HA THR 65 6.171 -12.056 -1.901 500 HB THR 65 HB THR 65 3.695 -12.828 -1.142 501 HG1 THR 65 1HG THR 65 3.128 -10.930 -0.008 502 HG21 THR 65 3HG2 THR 65 5.698 -12.719 1.122 503 HG22 THR 65 1HG2 THR 65 4.678 -14.077 0.589 504 HG23 THR 65 2HG2 THR 65 6.132 -13.639 -0.339 505 H LEU 66 H LEU 66 4.754 -9.015 -2.196 506 HA LEU 66 HA LEU 66 4.146 -9.480 -4.910 507 HB2 LEU 66 1HB LEU 66 1.730 -8.942 -4.794 508 HB3 LEU 66 2HB LEU 66 2.163 -10.530 -4.191 509 HG LEU 66 HG LEU 66 2.171 -9.310 -1.848 510 HD11 LEU 66 1HD1 LEU 66 -0.088 -7.700 -2.748 511 HD12 LEU 66 2HD1 LEU 66 1.275 -7.277 -1.684 512 HD13 LEU 66 3HD1 LEU 66 1.457 -7.164 -3.451 513 HD21 LEU 66 3HD2 LEU 66 -0.508 -9.883 -3.113 514 HD22 LEU 66 1HD2 LEU 66 0.669 -11.170 -2.754 515 HD23 LEU 66 2HD2 LEU 66 0.023 -10.161 -1.437 516 H THR 67 H THR 67 3.555 -7.457 -1.975 517 HA THR 67 HA THR 67 3.132 -5.028 -3.101 518 HB THR 67 HB THR 67 3.508 -5.976 -0.587 519 HG1 THR 67 1HG THR 67 2.562 -3.907 -1.363 520 HG21 THR 67 3HG2 THR 67 6.174 -5.531 -1.375 521 HG22 THR 67 1HG2 THR 67 5.727 -4.028 -0.533 522 HG23 THR 67 2HG2 THR 67 5.587 -5.592 0.304 523 H GLU 68 H GLU 68 4.411 -3.212 -3.721 524 HA GLU 68 HA GLU 68 6.253 -3.729 -5.596 525 HB2 GLU 68 1HB GLU 68 5.516 -1.355 -3.959 526 HB3 GLU 68 2HB GLU 68 7.097 -1.259 -4.709 527 HG2 GLU 68 1HG GLU 68 5.154 -2.325 -6.613 528 HG3 GLU 68 2HG GLU 68 4.569 -0.814 -5.944 529 HE2 GLU 68 HE GLU 68 5.837 0.268 -8.560 530 H LYS 69 H LYS 69 6.677 -3.840 -2.118 531 HA LYS 69 HA LYS 69 9.309 -3.277 -1.761 532 HB2 LYS 69 1HB LYS 69 7.520 -3.983 -0.072 533 HB3 LYS 69 2HB LYS 69 7.931 -5.639 -0.469 534 HG2 LYS 69 1HG LYS 69 9.389 -5.271 1.314 535 HG3 LYS 69 2HG LYS 69 10.427 -4.835 -0.029 536 HD2 LYS 69 1HD LYS 69 10.458 -3.148 1.846 537 HD3 LYS 69 2HD LYS 69 10.001 -2.460 0.301 538 HE2 LYS 69 1HE LYS 69 7.682 -3.491 1.829 539 HE3 LYS 69 2HE LYS 69 8.551 -2.230 2.681 540 HZ1 LYS 69 2HZ LYS 69 8.432 -1.081 0.326 541 HZ3 LYS 69 1HZ LYS 69 7.169 -0.980 1.349 542 H HIS 70 H HIS 70 7.844 -6.018 -3.471 543 HA HIS 70 HA HIS 70 10.090 -7.676 -3.455 544 HB2 HIS 70 1HB HIS 70 8.098 -8.718 -4.021 545 HB3 HIS 70 2HB HIS 70 7.605 -7.442 -5.116 546 HD1 HIS 70 1HD HIS 70 9.117 -10.762 -5.070 547 HD2 HIS 70 2HD HIS 70 9.215 -7.437 -7.626 548 HE1 HIS 70 1HE HIS 70 9.988 -11.610 -7.313 549 H ALA 71 H ALA 71 8.900 -5.250 -5.879 550 HA ALA 71 HA ALA 71 10.976 -5.584 -7.687 551 HB1 ALA 71 3HB ALA 71 8.765 -4.341 -7.953 552 HB2 ALA 71 1HB ALA 71 9.522 -2.986 -7.082 553 HB3 ALA 71 2HB ALA 71 10.194 -3.530 -8.637 554 H GLU 72 H GLU 72 10.663 -3.479 -4.772 555 HA GLU 72 HA GLU 72 13.049 -2.122 -5.195 556 HB2 GLU 72 1HB GLU 72 10.982 -1.823 -3.477 557 HB3 GLU 72 2HB GLU 72 12.100 -2.623 -2.390 558 HG2 GLU 72 1HG GLU 72 13.766 -0.905 -2.659 559 HG3 GLU 72 2HG GLU 72 12.970 -0.240 -4.072 560 HE2 GLU 72 HE GLU 72 13.261 1.339 -1.335 561 H GLN 73 H GLN 73 12.239 -5.143 -3.398 562 HA GLN 73 HA GLN 73 14.631 -5.512 -2.145 563 HB2 GLN 73 1HB GLN 73 13.152 -7.106 -1.435 564 HB3 GLN 73 2HB GLN 73 12.355 -7.213 -2.992 565 HG2 GLN 73 1HG GLN 73 14.106 -8.653 -3.885 566 HG3 GLN 73 2HG GLN 73 15.132 -8.372 -2.492 567 HE21 GLN 73 2HE2 GLN 73 13.229 -10.399 -0.223 568 HE22 GLN 73 1HE2 GLN 73 14.113 -8.914 -0.339 569 H GLU 74 H GLU 74 13.691 -6.146 -5.541 570 HA GLU 74 HA GLU 74 16.325 -7.259 -6.012 571 HB2 GLU 74 1HB GLU 74 13.743 -7.840 -7.034 572 HB3 GLU 74 2HB GLU 74 14.610 -7.108 -8.370 573 HG2 GLU 74 1HG GLU 74 16.208 -9.087 -6.822 574 HG3 GLU 74 2HG GLU 74 14.807 -9.769 -7.624 575 HE2 GLU 74 HE GLU 74 14.946 -9.962 -9.822 576 H ASN 75 H ASN 75 15.841 -4.371 -5.388 577 HA ASN 75 HA ASN 75 17.124 -3.360 -7.772 578 HB2 ASN 75 1HB ASN 75 14.519 -2.814 -7.590 579 HB3 ASN 75 2HB ASN 75 15.027 -1.653 -6.381 580 HD21 ASN 75 2HD2 ASN 75 14.935 -0.349 -10.003 581 HD22 ASN 75 1HD2 ASN 75 13.888 -1.424 -9.137 582 H MET 76 H MET 76 15.764 -2.358 -4.531 583 HA MET 76 HA MET 76 18.154 -0.819 -4.058 584 HB2 MET 76 1HB MET 76 15.708 -1.233 -2.256 585 HB3 MET 76 2HB MET 76 16.884 0.060 -2.129 586 HG2 MET 76 1HG MET 76 14.993 -0.379 -4.491 587 HG3 MET 76 2HG MET 76 14.789 0.834 -3.243 588 HE1 MET 76 3HE MET 76 15.872 2.571 -6.633 589 HE2 MET 76 1HE MET 76 15.814 0.809 -6.881 590 HE3 MET 76 2HE MET 76 14.558 1.613 -5.910 591 H THR 77 H THR 77 18.801 -0.919 -1.491 592 HA THR 77 HA THR 77 19.583 -3.705 -1.103 593 HB THR 77 HB THR 77 21.345 -1.971 -1.114 594 HG1 THR 77 1HG THR 77 21.722 -3.622 0.421 595 HG21 THR 77 3HG2 THR 77 20.055 0.006 -0.342 596 HG22 THR 77 1HG2 THR 77 19.747 -0.791 1.219 597 HG23 THR 77 2HG2 THR 77 21.402 -0.308 0.778 598 H LEU 78 H LEU 78 19.838 -4.225 1.421 599 HA LEU 78 HA LEU 78 17.213 -4.563 2.318 600 HB2 LEU 78 1HB LEU 78 19.944 -5.151 3.273 601 HB3 LEU 78 2HB LEU 78 18.727 -5.009 4.526 602 HG LEU 78 HG LEU 78 17.578 -6.640 2.523 603 HD11 LEU 78 1HD1 LEU 78 19.226 -8.495 2.390 604 HD12 LEU 78 2HD1 LEU 78 19.733 -7.026 1.523 605 HD13 LEU 78 3HD1 LEU 78 20.448 -7.416 3.105 606 HD21 LEU 78 3HD2 LEU 78 16.915 -7.107 4.665 607 HD22 LEU 78 1HD2 LEU 78 18.086 -8.421 4.398 608 HD23 LEU 78 2HD2 LEU 78 18.562 -6.980 5.328 609 H THR 79 H THR 79 19.711 -2.087 2.954 610 HA THR 79 HA THR 79 18.562 -0.924 5.206 611 HB THR 79 HB THR 79 20.397 -0.049 2.953 612 HG1 THR 79 1HG THR 79 21.762 -0.603 4.614 613 HG21 THR 79 3HG2 THR 79 19.548 1.683 5.332 614 HG22 THR 79 1HG2 THR 79 20.770 2.093 4.105 615 HG23 THR 79 2HG2 THR 79 19.052 1.995 3.651 616 H GLU 80 H GLU 80 18.011 -0.205 1.702 617 HA GLU 80 HA GLU 80 16.179 1.822 2.245 618 HB2 GLU 80 1HB GLU 80 17.313 0.508 -0.065 619 HB3 GLU 80 2HB GLU 80 15.578 0.612 -0.288 620 HG2 GLU 80 1HG GLU 80 15.943 3.119 0.591 621 HG3 GLU 80 2HG GLU 80 17.586 2.844 0.047 622 HE2 GLU 80 HE GLU 80 14.648 2.843 -2.708 623 H LEU 81 H LEU 81 15.771 -1.681 1.401 624 HA LEU 81 HA LEU 81 13.020 -1.726 1.314 625 HB2 LEU 81 1HB LEU 81 15.124 -3.756 1.980 626 HB3 LEU 81 2HB LEU 81 13.427 -4.169 2.117 627 HG LEU 81 HG LEU 81 14.856 -4.585 -0.100 628 HD11 LEU 81 1HD1 LEU 81 11.999 -3.664 -0.380 629 HD12 LEU 81 2HD1 LEU 81 12.846 -4.978 -1.232 630 HD13 LEU 81 3HD1 LEU 81 12.428 -5.157 0.489 631 HD21 LEU 81 3HD2 LEU 81 14.461 -2.881 -1.784 632 HD22 LEU 81 1HD2 LEU 81 13.650 -1.847 -0.583 633 HD23 LEU 81 2HD2 LEU 81 15.387 -2.204 -0.422 634 H LYS 82 H LYS 82 15.263 -1.776 4.109 635 HA LYS 82 HA LYS 82 13.229 -2.361 5.996 636 HB2 LYS 82 1HB LYS 82 15.936 -2.462 6.023 637 HB3 LYS 82 2HB LYS 82 15.691 -0.943 6.860 638 HG2 LYS 82 1HG LYS 82 13.752 -2.651 7.988 639 HG3 LYS 82 2HG LYS 82 15.151 -3.686 7.781 640 HD2 LYS 82 1HD LYS 82 16.571 -2.031 8.992 641 HD3 LYS 82 2HD LYS 82 15.192 -0.965 9.173 642 HE2 LYS 82 1HE LYS 82 14.024 -3.010 10.334 643 HE3 LYS 82 2HE LYS 82 15.636 -3.687 10.453 644 HZ1 LYS 82 2HZ LYS 82 15.405 -0.928 11.333 645 HZ3 LYS 82 1HZ LYS 82 16.221 -2.160 12.018 646 H LYS 83 H LYS 83 14.638 0.611 4.578 647 HA LYS 83 HA LYS 83 13.503 2.407 6.390 648 HB2 LYS 83 1HB LYS 83 15.187 2.527 4.184 649 HB3 LYS 83 2HB LYS 83 13.765 3.397 3.646 650 HG2 LYS 83 1HG LYS 83 14.943 3.950 6.390 651 HG3 LYS 83 2HG LYS 83 15.643 4.693 4.965 652 HD2 LYS 83 1HD LYS 83 14.009 6.261 4.958 653 HD3 LYS 83 2HD LYS 83 12.794 5.013 4.763 654 HE2 LYS 83 1HE LYS 83 12.272 4.960 7.026 655 HE3 LYS 83 2HE LYS 83 13.912 5.320 7.527 656 HZ1 LYS 83 2HZ LYS 83 12.942 7.556 6.147 657 HZ3 LYS 83 1HZ LYS 83 13.298 7.455 7.732 658 H VAL 84 H VAL 84 12.337 1.216 3.165 659 HA VAL 84 HA VAL 84 9.912 2.626 3.302 660 HB VAL 84 HB VAL 84 9.268 1.265 1.424 661 HG11 VAL 84 1HG1 VAL 84 12.009 1.410 0.542 662 HG12 VAL 84 2HG1 VAL 84 10.635 2.466 0.136 663 HG13 VAL 84 3HG1 VAL 84 11.632 2.813 1.569 664 HG21 VAL 84 3HG2 VAL 84 9.962 -0.930 2.266 665 HG22 VAL 84 1HG2 VAL 84 10.630 -0.631 0.643 666 HG23 VAL 84 2HG2 VAL 84 11.673 -0.474 2.077 667 H ILE 85 H ILE 85 10.987 -0.598 4.438 668 HA ILE 85 HA ILE 85 8.473 -1.653 4.976 669 HB ILE 85 HB ILE 85 11.254 -2.141 5.948 670 HG12 ILE 85 1HG1 ILE 85 10.012 -2.971 3.741 671 HG13 ILE 85 2HG1 ILE 85 11.205 -3.946 4.576 672 HG21 ILE 85 1HG2 ILE 85 10.362 -4.077 7.283 673 HG22 ILE 85 2HG2 ILE 85 10.060 -2.467 7.980 674 HG23 ILE 85 3HG2 ILE 85 8.748 -3.337 7.149 675 HD11 ILE 85 3HD1 ILE 85 9.397 -5.118 5.824 676 HD12 ILE 85 1HD1 ILE 85 8.183 -4.126 4.981 677 HD13 ILE 85 2HD1 ILE 85 9.183 -5.279 4.064 678 H ALA 86 H ALA 86 10.559 0.619 6.791 679 HA ALA 86 HA ALA 86 8.930 0.510 9.134 680 HB1 ALA 86 3HB ALA 86 11.197 1.062 9.484 681 HB2 ALA 86 1HB ALA 86 11.217 2.228 8.139 682 HB3 ALA 86 2HB ALA 86 10.351 2.620 9.644 683 H ASP 87 H ASP 87 9.085 2.420 6.124 684 HA ASP 87 HA ASP 87 7.433 4.479 7.054 685 HB2 ASP 87 1HB ASP 87 8.852 3.799 4.670 686 HB3 ASP 87 2HB ASP 87 7.181 4.006 4.185 687 HD2 ASP 87 HD ASP 87 9.857 6.082 4.291 688 H ILE 88 H ILE 88 6.959 1.255 5.593 689 HA ILE 88 HA ILE 88 4.163 1.724 5.069 690 HB ILE 88 HB ILE 88 5.954 0.228 3.820 691 HG12 ILE 88 1HG1 ILE 88 3.279 -1.056 3.921 692 HG13 ILE 88 2HG1 ILE 88 3.289 0.664 3.588 693 HG21 ILE 88 1HG2 ILE 88 4.789 -1.630 5.905 694 HG22 ILE 88 2HG2 ILE 88 5.547 -2.181 4.391 695 HG23 ILE 88 3HG2 ILE 88 6.504 -1.275 5.587 696 HD11 ILE 88 3HD1 ILE 88 3.962 0.282 1.463 697 HD12 ILE 88 1HD1 ILE 88 5.406 -0.577 2.051 698 HD13 ILE 88 2HD1 ILE 88 3.888 -1.467 1.783 699 H TYR 89 H TYR 89 6.111 -0.481 7.206 700 HA TYR 89 HA TYR 89 4.881 -0.009 9.546 701 HB2 TYR 89 1HB TYR 89 3.110 -1.896 9.524 702 HB3 TYR 89 2HB TYR 89 2.701 -0.523 8.515 703 HD1 TYR 89 2HD TYR 89 4.397 -3.861 8.301 704 HD2 TYR 89 1HD TYR 89 2.055 -0.888 6.305 705 HE1 TYR 89 2HE TYR 89 4.135 -5.403 6.296 706 HE2 TYR 89 1HE TYR 89 1.801 -2.440 4.307 707 HH TYR 89 HH TYR 89 3.224 -4.383 3.347 708 HA PRO 90 HA PRO 90 7.668 -3.193 10.472 709 HB2 PRO 90 2HB PRO 90 8.239 -2.201 12.470 710 HB3 PRO 90 1HB PRO 90 7.230 -3.458 13.157 711 HG2 PRO 90 1HG PRO 90 5.507 -1.985 13.579 712 HG3 PRO 90 2HG PRO 90 6.677 -0.713 13.288 713 HD2 PRO 90 1HD PRO 90 4.375 -1.325 11.690 714 HD3 PRO 90 2HD PRO 90 5.608 -0.131 11.338 715 H GLY 91 H GLY 91 7.908 -5.397 10.513 716 HA2 GLY 91 1HA GLY 91 6.939 -7.460 11.388 717 HA3 GLY 91 2HA GLY 91 5.357 -6.822 10.989 718 H GLN 92 H GLN 92 7.771 -8.902 9.948 719 HA GLN 92 HA GLN 92 6.959 -8.541 7.168 720 HB2 GLN 92 1HB GLN 92 9.546 -8.556 8.222 721 HB3 GLN 92 2HB GLN 92 9.363 -10.193 7.624 722 HG2 GLN 92 1HG GLN 92 8.271 -8.764 5.532 723 HG3 GLN 92 2HG GLN 92 9.466 -7.621 6.113 724 HE21 GLN 92 2HE2 GLN 92 12.137 -9.184 4.595 725 HE22 GLN 92 1HE2 GLN 92 11.385 -7.772 5.260 726 H THR 93 H THR 93 4.995 -9.813 8.008 727 HA THR 93 HA THR 93 5.535 -12.645 7.562 728 HB THR 93 HB THR 93 4.433 -13.321 9.597 729 HG1 THR 93 1HG THR 93 2.718 -11.869 9.792 730 HG21 THR 93 3HG2 THR 93 5.657 -12.238 11.400 731 HG22 THR 93 1HG2 THR 93 6.752 -12.272 9.997 732 HG23 THR 93 2HG2 THR 93 5.901 -10.768 10.425 733 H GLN 94 H GLN 94 3.693 -13.849 6.823 734 HA GLN 94 HA GLN 94 2.279 -12.669 4.909 735 HB2 GLN 94 1HB GLN 94 1.722 -15.065 6.653 736 HB3 GLN 94 2HB GLN 94 0.486 -14.558 5.519 737 HG2 GLN 94 1HG GLN 94 1.650 -15.367 3.739 738 HG3 GLN 94 2HG GLN 94 3.122 -14.557 4.238 739 HE21 GLN 94 2HE2 GLN 94 4.059 -18.043 4.325 740 HE22 GLN 94 1HE2 GLN 94 3.765 -16.740 3.222 741 H PHE 95 H PHE 95 0.210 -11.678 4.636 742 HA PHE 95 HA PHE 95 -1.485 -11.283 6.895 743 HB2 PHE 95 1HB PHE 95 0.611 -9.339 6.055 744 HB3 PHE 95 2HB PHE 95 -0.986 -8.619 6.040 745 HD1 PHE 95 2HD PHE 95 -2.388 -9.534 8.286 746 HD2 PHE 95 1HD PHE 95 1.786 -8.842 7.963 747 HE1 PHE 95 2HE PHE 95 -2.254 -9.185 10.768 748 HE2 PHE 95 1HE PHE 95 1.920 -8.493 10.445 749 HZ PHE 95 HZ PHE 95 -0.101 -8.669 11.818 750 H TYR 96 H TYR 96 -3.133 -9.305 6.138 751 HA TYR 96 HA TYR 96 -4.342 -10.369 3.792 752 HB2 TYR 96 1HB TYR 96 -4.838 -8.573 6.068 753 HB3 TYR 96 2HB TYR 96 -5.371 -7.780 4.600 754 HD1 TYR 96 1HD TYR 96 -5.542 -11.304 5.907 755 HD2 TYR 96 2HD TYR 96 -7.653 -7.960 4.274 756 HE1 TYR 96 1HE TYR 96 -7.710 -12.632 5.970 757 HE2 TYR 96 2HE TYR 96 -9.813 -9.299 4.343 758 HH TYR 96 HH TYR 96 -10.104 -12.247 4.347 759 H VAL 97 H VAL 97 -4.594 -9.443 1.737 760 HA VAL 97 HA VAL 97 -3.074 -6.979 1.274 761 HB VAL 97 HB VAL 97 -2.945 -9.571 -0.271 762 HG11 VAL 97 1HG1 VAL 97 -1.273 -7.316 -1.186 763 HG12 VAL 97 2HG1 VAL 97 -2.174 -8.535 -2.120 764 HG13 VAL 97 3HG1 VAL 97 -3.019 -7.111 -1.465 765 HG21 VAL 97 3HG2 VAL 97 -1.183 -9.919 1.065 766 HG22 VAL 97 1HG2 VAL 97 -0.375 -8.600 0.185 767 HG23 VAL 97 2HG2 VAL 97 -1.240 -8.258 1.702 768 H ILE 98 H ILE 98 -4.219 -5.459 0.171 769 HA ILE 98 HA ILE 98 -6.617 -6.415 -1.233 770 HB ILE 98 HB ILE 98 -6.476 -3.719 0.058 771 HG12 ILE 98 1HG1 ILE 98 -5.900 -5.061 1.917 772 HG13 ILE 98 2HG1 ILE 98 -7.617 -4.746 2.059 773 HG21 ILE 98 1HG2 ILE 98 -8.664 -3.592 -0.416 774 HG22 ILE 98 2HG2 ILE 98 -8.315 -4.895 -1.576 775 HG23 ILE 98 3HG2 ILE 98 -8.969 -5.287 0.033 776 HD11 ILE 98 3HD1 ILE 98 -8.032 -6.968 2.085 777 HD12 ILE 98 1HD1 ILE 98 -7.303 -7.127 0.468 778 HD13 ILE 98 2HD1 ILE 98 -6.288 -7.288 1.921 779 H GLU 99 H GLU 99 -6.759 -5.861 -3.353 780 HA GLU 99 HA GLU 99 -4.640 -4.152 -4.330 781 HB2 GLU 99 1HB GLU 99 -5.427 -6.543 -5.252 782 HB3 GLU 99 2HB GLU 99 -6.573 -5.571 -6.154 783 HG2 GLU 99 1HG GLU 99 -4.734 -4.227 -7.120 784 HG3 GLU 99 2HG GLU 99 -3.557 -5.084 -6.145 785 HE2 GLU 99 HE GLU 99 -4.919 -6.760 -9.483 786 H PHE 100 H PHE 100 -5.007 -2.207 -5.459 787 HA PHE 100 HA PHE 100 -7.800 -1.421 -5.791 788 HB2 PHE 100 1HB PHE 100 -7.335 0.681 -4.628 789 HB3 PHE 100 2HB PHE 100 -6.719 -0.587 -3.588 790 HD1 PHE 100 1HD PHE 100 -4.235 -1.078 -3.623 791 HD2 PHE 100 2HD PHE 100 -5.907 2.360 -5.464 792 HE1 PHE 100 1HE PHE 100 -1.978 0.021 -3.620 793 HE2 PHE 100 2HE PHE 100 -3.651 3.459 -5.461 794 HZ PHE 100 HZ PHE 100 -1.713 2.277 -4.539 795 H LYS 101 H LYS 101 -8.121 0.287 -7.383 796 HA LYS 101 HA LYS 101 -5.857 1.266 -8.824 797 HB2 LYS 101 1HB LYS 101 -5.939 0.052 -10.754 798 HB3 LYS 101 2HB LYS 101 -6.389 -1.200 -9.613 799 HG2 LYS 101 1HG LYS 101 -8.830 -0.646 -10.054 800 HG3 LYS 101 2HG LYS 101 -8.309 0.481 -11.291 801 HD2 LYS 101 1HD LYS 101 -7.234 -1.337 -12.566 802 HD3 LYS 101 2HD LYS 101 -7.581 -2.486 -11.288 803 HE2 LYS 101 1HE LYS 101 -9.513 -2.946 -12.400 804 HE3 LYS 101 2HE LYS 101 -10.102 -1.401 -11.819 805 HZ1 LYS 101 2HZ LYS 101 -8.471 -0.998 -14.102 806 HZ3 LYS 101 1HZ LYS 101 -10.044 -0.623 -13.912 807 H CYS 102 H CYS 102 -6.511 2.883 -10.448 808 HA CYS 102 HA CYS 102 -9.000 4.098 -9.614 809 HB2 CYS 102 1HB CYS 102 -7.179 5.615 -9.616 810 HB3 CYS 102 2HB CYS 102 -6.618 5.088 -11.190 811 HG CYS 102 HG CYS 102 -7.564 7.333 -11.745 812 H LEU 103 H LEU 103 -10.848 4.040 -10.877 813 HA LEU 103 HA LEU 103 -10.660 2.599 -13.384 814 HB2 LEU 103 1HB LEU 103 -13.115 3.629 -11.965 815 HB3 LEU 103 2HB LEU 103 -13.046 2.445 -13.255 816 HG LEU 103 HG LEU 103 -11.704 1.950 -10.597 817 HD11 LEU 103 1HD1 LEU 103 -14.589 1.973 -11.213 818 HD12 LEU 103 2HD1 LEU 103 -13.994 0.498 -10.415 819 HD13 LEU 103 3HD1 LEU 103 -13.738 2.086 -9.654 820 HD21 LEU 103 3HD2 LEU 103 -12.536 0.247 -12.938 821 HD22 LEU 103 1HD2 LEU 103 -10.944 0.392 -12.156 822 HD23 LEU 103 2HD2 LEU 103 -12.270 -0.456 -11.324 Start of MODEL 6 1 H1 MET 1 1H MET 1 -14.268 9.537 13.576 2 HA MET 1 HA MET 1 -16.460 11.299 12.871 3 HB2 MET 1 1HB MET 1 -13.424 11.619 13.076 4 HB3 MET 1 2HB MET 1 -14.421 12.864 12.352 5 HG2 MET 1 1HG MET 1 -15.692 13.150 14.434 6 HG3 MET 1 2HG MET 1 -14.897 11.769 15.164 7 HE1 MET 1 3HE MET 1 -14.883 13.375 16.905 8 HE2 MET 1 1HE MET 1 -13.189 13.600 17.402 9 HE3 MET 1 2HE MET 1 -14.153 14.997 16.866 10 H GLN 2 H GLN 2 -13.276 10.386 11.355 11 HA GLN 2 HA GLN 2 -14.338 9.242 9.116 12 HB2 GLN 2 1HB GLN 2 -14.838 12.008 9.047 13 HB3 GLN 2 2HB GLN 2 -13.426 11.816 8.025 14 HG2 GLN 2 1HG GLN 2 -14.547 10.466 6.474 15 HG3 GLN 2 2HG GLN 2 -15.677 9.846 7.662 16 HE21 GLN 2 2HE2 GLN 2 -18.015 11.883 6.012 17 HE22 GLN 2 1HE2 GLN 2 -17.372 10.289 6.224 18 HA PRO 3 HA PRO 3 -9.813 9.287 9.762 19 HB2 PRO 3 2HB PRO 3 -9.633 8.021 11.677 20 HB3 PRO 3 1HB PRO 3 -9.486 6.690 10.546 21 HG2 PRO 3 1HG PRO 3 -11.635 5.968 10.960 22 HG3 PRO 3 2HG PRO 3 -11.597 7.022 12.359 23 HD2 PRO 3 1HD PRO 3 -13.254 7.313 10.035 24 HD3 PRO 3 2HD PRO 3 -13.131 8.428 11.381 25 H ASN 4 H ASN 4 -8.051 7.836 8.754 26 HA ASN 4 HA ASN 4 -8.834 7.619 6.070 27 HB2 ASN 4 1HB ASN 4 -6.472 8.108 7.084 28 HB3 ASN 4 2HB ASN 4 -6.334 6.376 7.311 29 HD21 ASN 4 2HD2 ASN 4 -6.210 8.109 3.566 30 HD22 ASN 4 1HD2 ASN 4 -6.780 8.955 4.966 31 H ASP 5 H ASP 5 -8.039 5.385 4.879 32 HA ASP 5 HA ASP 5 -9.266 3.235 6.420 33 HB2 ASP 5 1HB ASP 5 -9.121 3.599 3.389 34 HB3 ASP 5 2HB ASP 5 -9.882 2.247 4.204 35 HD2 ASP 5 HD ASP 5 -12.472 4.240 3.171 36 H ILE 6 H ILE 6 -6.687 4.298 4.148 37 HA ILE 6 HA ILE 6 -4.897 2.334 5.158 38 HB ILE 6 HB ILE 6 -6.004 0.818 3.735 39 HG12 ILE 6 1HG1 ILE 6 -3.594 1.755 2.159 40 HG13 ILE 6 2HG1 ILE 6 -3.472 0.906 3.687 41 HG21 ILE 6 1HG2 ILE 6 -7.131 2.672 2.382 42 HG22 ILE 6 2HG2 ILE 6 -5.678 2.644 1.355 43 HG23 ILE 6 3HG2 ILE 6 -6.680 1.182 1.518 44 HD11 ILE 6 3HD1 ILE 6 -4.104 -0.147 1.017 45 HD12 ILE 6 1HD1 ILE 6 -3.566 -1.013 2.476 46 HD13 ILE 6 2HD1 ILE 6 -5.294 -0.657 2.238 47 H THR 7 H THR 7 -2.763 2.974 4.827 48 HA THR 7 HA THR 7 -2.489 5.501 3.344 49 HB THR 7 HB THR 7 -0.362 5.553 4.932 50 HG1 THR 7 1HG THR 7 -0.399 3.735 6.191 51 HG21 THR 7 3HG2 THR 7 -3.198 6.215 5.439 52 HG22 THR 7 1HG2 THR 7 -2.312 5.842 6.937 53 HG23 THR 7 2HG2 THR 7 -1.736 7.138 5.863 54 H PHE 8 H PHE 8 -0.192 5.854 2.459 55 HA PHE 8 HA PHE 8 1.109 3.419 1.642 56 HB2 PHE 8 1HB PHE 8 -0.104 5.421 -0.355 57 HB3 PHE 8 2HB PHE 8 0.779 3.970 -0.784 58 HD1 PHE 8 1HD PHE 8 -0.240 1.729 -0.294 59 HD2 PHE 8 2HD PHE 8 -2.425 5.342 0.123 60 HE1 PHE 8 1HE PHE 8 -2.390 0.435 -0.348 61 HE2 PHE 8 2HE PHE 8 -4.575 4.048 0.069 62 HZ PHE 8 HZ PHE 8 -4.532 1.610 -0.166 63 H PHE 9 H PHE 9 3.233 3.870 1.955 64 HA PHE 9 HA PHE 9 4.323 6.250 2.523 65 HB2 PHE 9 1HB PHE 9 5.342 3.878 2.476 66 HB3 PHE 9 2HB PHE 9 5.539 4.052 0.744 67 HD1 PHE 9 1HD PHE 9 6.122 6.730 3.230 68 HD2 PHE 9 2HD PHE 9 7.892 3.895 0.616 69 HE1 PHE 9 1HE PHE 9 8.365 7.797 3.592 70 HE2 PHE 9 2HE PHE 9 10.135 4.962 0.978 71 HZ PHE 9 HZ PHE 9 10.345 6.900 2.461 72 H GLN 10 H GLN 10 5.863 7.671 1.270 73 HA GLN 10 HA GLN 10 4.581 8.887 -0.789 74 HB2 GLN 10 1HB GLN 10 6.456 9.838 0.587 75 HB3 GLN 10 2HB GLN 10 7.592 8.838 -0.297 76 HG2 GLN 10 1HG GLN 10 6.073 10.141 -2.304 77 HG3 GLN 10 2HG GLN 10 6.352 11.374 -1.090 78 HE21 GLN 10 2HE2 GLN 10 9.274 10.162 -3.605 79 HE22 GLN 10 1HE2 GLN 10 7.614 9.677 -3.696 80 H ARG 11 H ARG 11 7.374 6.567 -0.990 81 HA ARG 11 HA ARG 11 7.684 6.558 -3.661 82 HB2 ARG 11 1HB ARG 11 7.833 4.162 -1.761 83 HB3 ARG 11 2HB ARG 11 8.534 4.190 -3.367 84 HG2 ARG 11 1HG ARG 11 9.572 6.521 -2.285 85 HG3 ARG 11 2HG ARG 11 9.481 5.497 -0.865 86 HD2 ARG 11 1HD ARG 11 11.278 4.284 -1.548 87 HD3 ARG 11 2HD ARG 11 10.520 3.936 -3.090 88 HE ARG 11 HE ARG 11 12.480 6.045 -2.543 89 HH11 ARG 11 2HH2 ARG 11 9.910 4.989 -4.742 90 HH12 ARG 11 1HH2 ARG 11 10.493 5.930 -6.074 91 HH21 ARG 11 1HH ARG 11 12.458 7.273 -5.792 92 H PHE 12 H PHE 12 5.440 4.488 -1.690 93 HA PHE 12 HA PHE 12 4.372 3.118 -3.893 94 HB2 PHE 12 1HB PHE 12 4.285 3.033 -1.110 95 HB3 PHE 12 2HB PHE 12 2.699 3.695 -1.453 96 HD1 PHE 12 2HD PHE 12 2.087 2.240 -3.999 97 HD2 PHE 12 1HD PHE 12 3.778 0.880 -0.353 98 HE1 PHE 12 2HE PHE 12 1.223 -0.070 -4.461 99 HE2 PHE 12 1HE PHE 12 2.914 -1.431 -0.814 100 HZ PHE 12 HZ PHE 12 1.646 -1.878 -2.863 101 H GLN 13 H GLN 13 3.678 6.267 -2.399 102 HA GLN 13 HA GLN 13 1.105 6.538 -3.442 103 HB2 GLN 13 1HB GLN 13 3.111 8.242 -2.089 104 HB3 GLN 13 2HB GLN 13 2.084 9.133 -3.194 105 HG2 GLN 13 1HG GLN 13 0.450 7.262 -1.685 106 HG3 GLN 13 2HG GLN 13 1.433 8.189 -0.569 107 HE21 GLN 13 2HE2 GLN 13 -0.892 10.751 -0.617 108 HE22 GLN 13 1HE2 GLN 13 0.052 9.595 0.263 109 H ASP 14 H ASP 14 4.364 7.612 -4.607 110 HA ASP 14 HA ASP 14 3.443 8.962 -6.824 111 HB2 ASP 14 1HB ASP 14 5.732 9.232 -6.105 112 HB3 ASP 14 2HB ASP 14 6.044 7.511 -6.204 113 HD2 ASP 14 HD ASP 14 6.133 6.647 -8.317 114 H ASP 15 H ASP 15 4.510 5.533 -6.305 115 HA ASP 15 HA ASP 15 4.453 4.673 -8.878 116 HB2 ASP 15 1HB ASP 15 5.270 3.160 -7.243 117 HB3 ASP 15 2HB ASP 15 3.864 3.357 -6.216 118 HD2 ASP 15 HD ASP 15 2.845 0.329 -7.299 119 H ILE 16 H ILE 16 1.797 4.962 -6.434 120 HA ILE 16 HA ILE 16 -0.178 3.771 -8.068 121 HB ILE 16 HB ILE 16 -0.324 5.539 -5.628 122 HG12 ILE 16 1HG1 ILE 16 -0.900 2.585 -5.769 123 HG13 ILE 16 2HG1 ILE 16 0.742 3.168 -5.586 124 HG21 ILE 16 1HG2 ILE 16 -2.506 4.171 -7.198 125 HG22 ILE 16 2HG2 ILE 16 -2.682 4.565 -5.471 126 HG23 ILE 16 3HG2 ILE 16 -2.407 5.863 -6.657 127 HD11 ILE 16 3HD1 ILE 16 -1.460 3.123 -3.623 128 HD12 ILE 16 1HD1 ILE 16 0.296 3.232 -3.355 129 HD13 ILE 16 2HD1 ILE 16 -0.642 4.702 -3.713 130 H LEU 17 H LEU 17 0.946 7.139 -7.485 131 HA LEU 17 HA LEU 17 -1.098 8.403 -8.894 132 HB2 LEU 17 1HB LEU 17 -0.042 10.177 -8.140 133 HB3 LEU 17 2HB LEU 17 1.182 9.118 -7.469 134 HG LEU 17 HG LEU 17 2.196 9.290 -9.921 135 HD11 LEU 17 1HD1 LEU 17 1.890 11.747 -10.642 136 HD12 LEU 17 2HD1 LEU 17 0.619 10.572 -11.060 137 HD13 LEU 17 3HD1 LEU 17 0.386 11.686 -9.691 138 HD21 LEU 17 3HD2 LEU 17 2.595 10.698 -7.418 139 HD22 LEU 17 1HD2 LEU 17 3.787 10.080 -8.586 140 HD23 LEU 17 2HD2 LEU 17 3.077 11.697 -8.810 141 H ALA 18 H ALA 18 1.652 6.486 -9.939 142 HA ALA 18 HA ALA 18 1.744 7.572 -12.576 143 HB1 ALA 18 3HB ALA 18 2.976 5.165 -12.771 144 HB2 ALA 18 1HB ALA 18 3.760 6.609 -12.088 145 HB3 ALA 18 2HB ALA 18 3.039 5.393 -11.007 146 H GLY 19 H GLY 19 -0.602 5.825 -10.938 147 HA2 GLY 19 1HA GLY 19 -2.431 4.715 -11.626 148 HA3 GLY 19 2HA GLY 19 -2.085 5.252 -13.257 149 H ARG 20 H ARG 20 -1.130 2.795 -10.779 150 HA ARG 20 HA ARG 20 -0.902 0.918 -12.962 151 HB2 ARG 20 1HB ARG 20 1.280 1.686 -11.022 152 HB3 ARG 20 2HB ARG 20 1.164 -0.004 -11.473 153 HG2 ARG 20 1HG ARG 20 1.679 0.407 -13.724 154 HG3 ARG 20 2HG ARG 20 1.053 2.043 -13.684 155 HD2 ARG 20 1HD ARG 20 3.025 2.587 -12.072 156 HD3 ARG 20 2HD ARG 20 3.694 1.037 -12.544 157 HE ARG 20 HE ARG 20 2.975 2.493 -14.910 158 HH11 ARG 20 2HH2 ARG 20 5.385 2.537 -12.313 159 HH12 ARG 20 1HH2 ARG 20 6.596 3.308 -13.282 160 HH21 ARG 20 1HH ARG 20 6.097 3.871 -15.557 161 H LYS 21 H LYS 21 -2.785 -0.193 -12.283 162 HA LYS 21 HA LYS 21 -3.743 -0.623 -9.831 163 HB2 LYS 21 1HB LYS 21 -4.594 -2.838 -10.746 164 HB3 LYS 21 2HB LYS 21 -4.988 -1.399 -11.665 165 HG2 LYS 21 1HG LYS 21 -2.406 -2.567 -12.490 166 HG3 LYS 21 2HG LYS 21 -3.727 -3.708 -12.655 167 HD2 LYS 21 1HD LYS 21 -4.786 -2.470 -14.303 168 HD3 LYS 21 2HD LYS 21 -4.294 -0.932 -13.622 169 HE2 LYS 21 1HE LYS 21 -2.430 -0.827 -14.932 170 HE3 LYS 21 2HE LYS 21 -1.971 -2.475 -14.556 171 HZ1 LYS 21 2HZ LYS 21 -3.707 -3.196 -16.189 172 HZ3 LYS 21 1HZ LYS 21 -2.501 -2.348 -16.881 173 H THR 22 H THR 22 -2.496 -0.944 -8.036 174 HA THR 22 HA THR 22 -0.742 -3.312 -8.107 175 HB THR 22 HB THR 22 -0.394 -0.531 -6.914 176 HG1 THR 22 1HG THR 22 0.735 -0.747 -8.837 177 HG21 THR 22 3HG2 THR 22 1.735 -1.502 -5.891 178 HG22 THR 22 1HG2 THR 22 0.242 -2.017 -5.069 179 HG23 THR 22 2HG2 THR 22 1.066 -3.124 -6.193 180 H ILE 23 H ILE 23 -0.465 -4.423 -6.012 181 HA ILE 23 HA ILE 23 -3.041 -4.438 -4.642 182 HB ILE 23 HB ILE 23 -1.175 -6.523 -3.893 183 HG12 ILE 23 1HG1 ILE 23 -1.534 -7.615 -6.281 184 HG13 ILE 23 2HG1 ILE 23 -1.543 -5.945 -6.811 185 HG21 ILE 23 1HG2 ILE 23 -3.559 -7.280 -5.404 186 HG22 ILE 23 2HG2 ILE 23 -3.071 -7.686 -3.741 187 HG23 ILE 23 3HG2 ILE 23 -3.906 -6.150 -4.073 188 HD11 ILE 23 3HD1 ILE 23 0.715 -5.916 -6.701 189 HD12 ILE 23 1HD1 ILE 23 0.619 -6.201 -4.947 190 HD13 ILE 23 2HD1 ILE 23 0.717 -7.580 -6.069 191 H THR 24 H THR 24 -3.123 -4.522 -2.282 192 HA THR 24 HA THR 24 -0.761 -3.245 -1.066 193 HB THR 24 HB THR 24 -2.245 -1.783 0.122 194 HG1 THR 24 1HG THR 24 -4.524 -2.370 0.211 195 HG21 THR 24 3HG2 THR 24 -3.898 -2.176 -2.401 196 HG22 THR 24 1HG2 THR 24 -3.525 -0.661 -1.543 197 HG23 THR 24 2HG2 THR 24 -2.266 -1.474 -2.504 198 H ILE 25 H ILE 25 -0.943 -3.447 1.470 199 HA ILE 25 HA ILE 25 -1.867 -6.155 2.093 200 HB ILE 25 HB ILE 25 0.848 -5.015 2.768 201 HG12 ILE 25 1HG1 ILE 25 1.340 -7.305 1.413 202 HG13 ILE 25 2HG1 ILE 25 -0.136 -6.806 0.611 203 HG21 ILE 25 1HG2 ILE 25 0.923 -6.455 4.450 204 HG22 ILE 25 2HG2 ILE 25 -0.724 -7.017 4.076 205 HG23 ILE 25 3HG2 ILE 25 0.678 -7.795 3.303 206 HD11 ILE 25 3HD1 ILE 25 2.236 -4.938 1.043 207 HD12 ILE 25 1HD1 ILE 25 1.990 -5.896 -0.437 208 HD13 ILE 25 2HD1 ILE 25 0.808 -4.646 0.021 209 H ARG 26 H ARG 26 -2.774 -6.391 4.134 210 HA ARG 26 HA ARG 26 -2.553 -4.092 5.875 211 HB2 ARG 26 1HB ARG 26 -5.276 -5.276 5.826 212 HB3 ARG 26 2HB ARG 26 -4.801 -3.590 5.873 213 HG2 ARG 26 1HG ARG 26 -4.561 -5.292 3.353 214 HG3 ARG 26 2HG ARG 26 -6.003 -4.372 3.735 215 HD2 ARG 26 1HD ARG 26 -3.519 -3.433 2.563 216 HD3 ARG 26 2HD ARG 26 -5.027 -2.564 2.766 217 HE ARG 26 HE ARG 26 -2.706 -2.508 4.594 218 HH11 ARG 26 2HH2 ARG 26 -6.109 -1.647 4.107 219 HH12 ARG 26 1HH2 ARG 26 -6.110 -0.440 5.349 220 HH21 ARG 26 1HH ARG 26 -4.099 -0.027 6.586 221 H ASP 27 H ASP 27 -3.771 -4.714 8.101 222 HA ASP 27 HA ASP 27 -2.785 -7.364 8.720 223 HB2 ASP 27 1HB ASP 27 -1.917 -5.694 10.202 224 HB3 ASP 27 2HB ASP 27 -3.472 -4.900 10.357 225 HD2 ASP 27 HD ASP 27 -2.171 -5.406 12.486 226 H GLU 28 H GLU 28 -4.241 -9.024 9.283 227 HA GLU 28 HA GLU 28 -6.858 -8.873 8.656 228 HB2 GLU 28 1HB GLU 28 -5.973 -11.037 8.929 229 HB3 GLU 28 2HB GLU 28 -5.278 -10.673 10.496 230 HG2 GLU 28 1HG GLU 28 -7.230 -12.106 10.822 231 HG3 GLU 28 2HG GLU 28 -7.588 -10.518 11.471 232 HE2 GLU 28 HE GLU 28 -9.186 -9.176 9.793 233 H SER 29 H SER 29 -5.312 -8.284 11.867 234 HA SER 29 HA SER 29 -7.603 -8.067 13.342 235 HB2 SER 29 1HB SER 29 -6.248 -7.126 15.016 236 HB3 SER 29 2HB SER 29 -5.092 -8.019 14.048 237 HG SER 29 HG SER 29 -4.052 -6.168 13.829 238 H GLU 30 H GLU 30 -6.349 -6.002 10.827 239 HA GLU 30 HA GLU 30 -8.404 -4.057 11.516 240 HB2 GLU 30 1HB GLU 30 -5.506 -3.581 10.819 241 HB3 GLU 30 2HB GLU 30 -6.695 -2.396 10.316 242 HG2 GLU 30 1HG GLU 30 -7.516 -2.250 12.697 243 HG3 GLU 30 2HG GLU 30 -6.265 -3.380 13.177 244 HE2 GLU 30 HE GLU 30 -4.167 -2.283 11.572 245 H SER 31 H SER 31 -8.129 -6.490 9.650 246 HA SER 31 HA SER 31 -8.473 -5.069 7.133 247 HB2 SER 31 1HB SER 31 -6.833 -7.159 7.596 248 HB3 SER 31 2HB SER 31 -8.292 -8.069 7.258 249 HG SER 31 HG SER 31 -7.623 -7.811 5.220 250 H HIS 32 H HIS 32 -10.636 -4.505 6.967 251 HA HIS 32 HA HIS 32 -12.517 -6.658 6.846 252 HB2 HIS 32 1HB HIS 32 -14.092 -5.474 8.465 253 HB3 HIS 32 2HB HIS 32 -12.777 -6.408 9.149 254 HD1 HIS 32 1HD HIS 32 -14.357 -3.170 9.395 255 HD2 HIS 32 2HD HIS 32 -10.444 -4.612 9.844 256 HE1 HIS 32 1HE HIS 32 -13.090 -1.397 10.723 257 H PHE 33 H PHE 33 -13.530 -6.247 4.953 258 HA PHE 33 HA PHE 33 -14.966 -3.920 4.503 259 HB2 PHE 33 1HB PHE 33 -12.278 -3.421 4.217 260 HB3 PHE 33 2HB PHE 33 -12.593 -4.070 2.620 261 HD1 PHE 33 1HD PHE 33 -14.851 -1.966 4.692 262 HD2 PHE 33 2HD PHE 33 -12.373 -2.187 1.253 263 HE1 PHE 33 1HE PHE 33 -15.688 0.279 3.944 264 HE2 PHE 33 2HE PHE 33 -13.211 0.058 0.506 265 HZ PHE 33 HZ PHE 33 -14.858 1.265 1.860 266 H LYS 34 H LYS 34 -14.713 -3.801 1.613 267 HA LYS 34 HA LYS 34 -15.036 -6.527 0.710 268 HB2 LYS 34 1HB LYS 34 -17.345 -4.564 0.756 269 HB3 LYS 34 2HB LYS 34 -17.313 -6.005 -0.241 270 HG2 LYS 34 1HG LYS 34 -16.986 -6.004 2.797 271 HG3 LYS 34 2HG LYS 34 -18.492 -6.337 1.965 272 HD2 LYS 34 1HD LYS 34 -17.277 -8.226 0.726 273 HD3 LYS 34 2HD LYS 34 -15.913 -7.959 1.793 274 HE2 LYS 34 1HE LYS 34 -17.000 -8.839 3.647 275 HE3 LYS 34 2HE LYS 34 -18.577 -8.272 3.133 276 HZ1 LYS 34 2HZ LYS 34 -17.391 -10.809 2.663 277 HZ3 LYS 34 1HZ LYS 34 -17.803 -10.137 1.238 278 H THR 35 H THR 35 -15.191 -6.630 -1.689 279 HA THR 35 HA THR 35 -13.469 -4.641 -2.830 280 HB THR 35 HB THR 35 -14.939 -6.970 -4.164 281 HG1 THR 35 1HG THR 35 -13.663 -8.108 -2.758 282 HG21 THR 35 3HG2 THR 35 -12.461 -6.968 -5.219 283 HG22 THR 35 1HG2 THR 35 -13.744 -5.942 -5.906 284 HG23 THR 35 2HG2 THR 35 -12.541 -5.241 -4.797 285 H GLY 36 H GLY 36 -13.928 -3.437 -4.813 286 HA2 GLY 36 1HA GLY 36 -15.299 -2.283 -6.231 287 HA3 GLY 36 2HA GLY 36 -16.710 -3.012 -5.491 288 H ASP 37 H ASP 37 -15.242 -2.182 -2.758 289 HA ASP 37 HA ASP 37 -16.779 0.165 -2.483 290 HB2 ASP 37 1HB ASP 37 -15.089 -1.591 -0.774 291 HB3 ASP 37 2HB ASP 37 -15.103 0.087 -0.269 292 HD2 ASP 37 HD ASP 37 -17.568 -1.890 1.394 293 H VAL 38 H VAL 38 -15.273 1.934 -0.943 294 HA VAL 38 HA VAL 38 -13.188 2.754 -2.834 295 HB VAL 38 HB VAL 38 -15.303 4.109 -1.342 296 HG11 VAL 38 1HG1 VAL 38 -13.393 4.769 0.078 297 HG12 VAL 38 2HG1 VAL 38 -12.545 5.380 -1.362 298 HG13 VAL 38 3HG1 VAL 38 -14.060 6.147 -0.829 299 HG21 VAL 38 3HG2 VAL 38 -14.336 5.886 -3.180 300 HG22 VAL 38 1HG2 VAL 38 -13.817 4.336 -3.885 301 HG23 VAL 38 2HG2 VAL 38 -15.538 4.619 -3.527 302 H LEU 39 H LEU 39 -11.126 3.437 -2.045 303 HA LEU 39 HA LEU 39 -10.625 2.674 0.745 304 HB2 LEU 39 1HB LEU 39 -9.303 1.759 -1.758 305 HB3 LEU 39 2HB LEU 39 -8.277 2.069 -0.372 306 HG LEU 39 HG LEU 39 -10.685 0.239 -0.263 307 HD11 LEU 39 1HD1 LEU 39 -8.986 -0.505 -1.954 308 HD12 LEU 39 2HD1 LEU 39 -7.805 -0.619 -0.626 309 HD13 LEU 39 3HD1 LEU 39 -9.262 -1.642 -0.612 310 HD21 LEU 39 3HD2 LEU 39 -10.205 -0.106 1.888 311 HD22 LEU 39 1HD2 LEU 39 -8.458 -0.239 1.573 312 HD23 LEU 39 2HD2 LEU 39 -9.207 1.363 1.778 313 H ARG 40 H ARG 40 -10.017 4.427 1.883 314 HA ARG 40 HA ARG 40 -9.317 6.787 0.559 315 HB2 ARG 40 1HB ARG 40 -10.035 5.973 3.211 316 HB3 ARG 40 2HB ARG 40 -8.490 6.787 3.357 317 HG2 ARG 40 1HG ARG 40 -10.184 8.282 1.525 318 HG3 ARG 40 2HG ARG 40 -11.070 7.977 3.006 319 HD2 ARG 40 1HD ARG 40 -9.267 8.965 4.358 320 HD3 ARG 40 2HD ARG 40 -8.236 9.119 2.950 321 HE ARG 40 HE ARG 40 -9.364 11.083 2.394 322 HH11 ARG 40 2HH2 ARG 40 -11.452 9.167 4.521 323 HH12 ARG 40 1HH2 ARG 40 -12.673 10.391 4.631 324 HH21 ARG 40 1HH ARG 40 -12.371 12.459 3.457 325 H VAL 41 H VAL 41 -7.331 7.265 -0.325 326 HA VAL 41 HA VAL 41 -5.008 5.868 0.793 327 HB VAL 41 HB VAL 41 -4.038 5.939 -1.302 328 HG11 VAL 41 1HG1 VAL 41 -6.927 5.811 -2.171 329 HG12 VAL 41 2HG1 VAL 41 -5.540 4.853 -2.740 330 HG13 VAL 41 3HG1 VAL 41 -6.217 4.563 -1.120 331 HG21 VAL 41 3HG2 VAL 41 -4.373 8.373 -1.671 332 HG22 VAL 41 1HG2 VAL 41 -4.669 7.403 -3.133 333 HG23 VAL 41 2HG2 VAL 41 -6.041 8.040 -2.195 334 H GLY 42 H GLY 42 -3.358 7.013 1.734 335 HA2 GLY 42 1HA GLY 42 -3.463 9.956 1.486 336 HA3 GLY 42 2HA GLY 42 -3.342 9.173 3.049 337 H ARG 43 H ARG 43 -1.277 10.332 3.334 338 HA ARG 43 HA ARG 43 0.846 8.824 2.065 339 HB2 ARG 43 1HB ARG 43 0.345 11.312 1.148 340 HB3 ARG 43 2HB ARG 43 1.279 11.775 2.557 341 HG2 ARG 43 1HG ARG 43 3.238 11.110 1.604 342 HG3 ARG 43 2HG ARG 43 2.570 9.564 1.120 343 HD2 ARG 43 1HD ARG 43 2.411 10.278 -1.029 344 HD3 ARG 43 2HD ARG 43 1.352 11.586 -0.539 345 HE ARG 43 HE ARG 43 4.111 12.213 0.087 346 HH11 ARG 43 2HH2 ARG 43 1.809 12.092 -2.603 347 HH12 ARG 43 1HH2 ARG 43 2.647 13.285 -3.537 348 HH21 ARG 43 1HH ARG 43 4.649 14.269 -2.660 349 H PHE 44 H PHE 44 2.724 8.535 3.424 350 HA PHE 44 HA PHE 44 2.156 8.758 6.203 351 HB2 PHE 44 1HB PHE 44 3.558 7.033 4.684 352 HB3 PHE 44 2HB PHE 44 4.865 8.178 4.914 353 HD1 PHE 44 2HD PHE 44 5.884 8.482 7.106 354 HD2 PHE 44 1HD PHE 44 2.739 5.691 6.536 355 HE1 PHE 44 2HE PHE 44 6.434 7.412 9.309 356 HE2 PHE 44 1HE PHE 44 3.289 4.621 8.739 357 HZ PHE 44 HZ PHE 44 5.130 5.495 10.099 358 H GLU 45 H GLU 45 4.026 10.598 3.798 359 HA GLU 45 HA GLU 45 5.809 11.874 5.367 360 HB2 GLU 45 1HB GLU 45 4.571 12.291 2.781 361 HB3 GLU 45 2HB GLU 45 4.745 13.840 3.580 362 HG2 GLU 45 1HG GLU 45 7.189 13.001 4.140 363 HG3 GLU 45 2HG GLU 45 6.908 11.838 2.859 364 HE2 GLU 45 HE GLU 45 8.047 12.684 1.253 365 H ASP 46 H ASP 46 2.348 12.786 4.789 366 HA ASP 46 HA ASP 46 2.005 13.691 7.369 367 HB2 ASP 46 1HB ASP 46 1.584 16.207 6.415 368 HB3 ASP 46 2HB ASP 46 3.069 15.717 7.206 369 HD2 ASP 46 HD ASP 46 1.945 17.183 4.525 370 H ASP 47 H ASP 47 1.182 14.849 4.001 371 HA ASP 47 HA ASP 47 -1.408 13.668 4.245 372 HB2 ASP 47 1HB ASP 47 -1.112 16.345 5.028 373 HB3 ASP 47 2HB ASP 47 -1.636 16.483 3.362 374 HD2 ASP 47 HD ASP 47 -3.654 15.886 2.893 375 H GLY 48 H GLY 48 1.253 13.810 2.603 376 HA2 GLY 48 1HA GLY 48 1.201 14.997 0.215 377 HA3 GLY 48 2HA GLY 48 1.703 13.331 0.428 378 H TYR 49 H TYR 49 0.150 14.862 -1.776 379 HA TYR 49 HA TYR 49 -1.703 14.638 -3.020 380 HB2 TYR 49 1HB TYR 49 -0.277 12.683 -3.631 381 HB3 TYR 49 2HB TYR 49 -0.856 11.782 -2.244 382 HD1 TYR 49 1HD TYR 49 -2.296 13.518 -5.253 383 HD2 TYR 49 2HD TYR 49 -2.418 10.123 -2.652 384 HE1 TYR 49 1HE TYR 49 -4.125 12.480 -6.682 385 HE2 TYR 49 2HE TYR 49 -4.246 9.096 -4.091 386 HH TYR 49 HH TYR 49 -5.758 10.918 -6.656 387 H PHE 50 H PHE 50 -2.450 11.571 -1.370 388 HA PHE 50 HA PHE 50 -4.143 10.930 -0.106 389 HB2 PHE 50 1HB PHE 50 -3.429 13.492 0.840 390 HB3 PHE 50 2HB PHE 50 -5.144 13.677 0.531 391 HD1 PHE 50 1HD PHE 50 -6.699 11.863 1.567 392 HD2 PHE 50 2HD PHE 50 -2.718 12.574 2.853 393 HE1 PHE 50 1HE PHE 50 -7.214 10.768 3.766 394 HE2 PHE 50 2HE PHE 50 -3.233 11.479 5.052 395 HZ PHE 50 HZ PHE 50 -5.475 10.589 5.482 396 H CYS 51 H CYS 51 -5.727 10.047 -1.360 397 HA CYS 51 HA CYS 51 -7.854 11.796 -2.199 398 HB2 CYS 51 1HB CYS 51 -6.221 10.228 -4.215 399 HB3 CYS 51 2HB CYS 51 -7.835 10.829 -4.541 400 HG CYS 51 HG CYS 51 -6.604 12.661 -5.611 401 H THR 52 H THR 52 -9.298 9.922 -3.737 402 HA THR 52 HA THR 52 -9.488 7.626 -1.898 403 HB THR 52 HB THR 52 -11.869 8.754 -3.391 404 HG1 THR 52 1HG THR 52 -11.710 10.570 -2.129 405 HG21 THR 52 3HG2 THR 52 -12.401 8.298 -0.646 406 HG22 THR 52 1HG2 THR 52 -12.869 7.238 -1.996 407 HG23 THR 52 2HG2 THR 52 -11.341 6.953 -1.128 408 H ILE 53 H ILE 53 -9.799 5.587 -2.756 409 HA ILE 53 HA ILE 53 -9.882 5.456 -5.679 410 HB ILE 53 HB ILE 53 -8.115 3.927 -5.804 411 HG12 ILE 53 1HG1 ILE 53 -6.872 3.285 -3.606 412 HG13 ILE 53 2HG1 ILE 53 -8.374 3.713 -2.811 413 HG21 ILE 53 1HG2 ILE 53 -6.217 5.170 -4.595 414 HG22 ILE 53 2HG2 ILE 53 -7.197 6.075 -5.773 415 HG23 ILE 53 3HG2 ILE 53 -7.487 6.280 -4.029 416 HD11 ILE 53 3HD1 ILE 53 -7.910 1.228 -3.739 417 HD12 ILE 53 1HD1 ILE 53 -9.543 1.936 -3.731 418 HD13 ILE 53 2HD1 ILE 53 -8.579 1.939 -5.227 419 H GLU 54 H GLU 54 -10.291 3.012 -6.324 420 HA GLU 54 HA GLU 54 -12.275 2.023 -4.425 421 HB2 GLU 54 1HB GLU 54 -12.723 2.943 -7.026 422 HB3 GLU 54 2HB GLU 54 -12.658 1.204 -7.235 423 HG2 GLU 54 1HG GLU 54 -14.428 0.845 -5.621 424 HG3 GLU 54 2HG GLU 54 -14.340 2.499 -5.048 425 HE2 GLU 54 HE GLU 54 -16.204 3.763 -6.246 426 H VAL 55 H VAL 55 -12.439 -0.284 -4.155 427 HA VAL 55 HA VAL 55 -9.951 -1.619 -4.539 428 HB VAL 55 HB VAL 55 -12.369 -3.128 -3.742 429 HG11 VAL 55 1HG1 VAL 55 -9.581 -2.773 -2.595 430 HG12 VAL 55 2HG1 VAL 55 -10.832 -3.831 -1.899 431 HG13 VAL 55 3HG1 VAL 55 -10.197 -4.157 -3.530 432 HG21 VAL 55 3HG2 VAL 55 -13.142 -1.281 -2.607 433 HG22 VAL 55 1HG2 VAL 55 -12.041 -1.966 -1.387 434 HG23 VAL 55 2HG2 VAL 55 -11.514 -0.593 -2.390 435 H THR 56 H THR 56 -9.734 -3.747 -5.646 436 HA THR 56 HA THR 56 -11.615 -4.016 -7.890 437 HB THR 56 HB THR 56 -9.363 -2.772 -8.389 438 HG1 THR 56 1HG THR 56 -9.475 -3.879 -10.416 439 HG21 THR 56 3HG2 THR 56 -7.412 -4.120 -8.686 440 HG22 THR 56 1HG2 THR 56 -8.021 -4.627 -7.092 441 HG23 THR 56 2HG2 THR 56 -8.333 -5.635 -8.526 442 H ALA 57 H ALA 57 -9.126 -5.505 -5.766 443 HA ALA 57 HA ALA 57 -10.673 -7.910 -5.705 444 HB1 ALA 57 3HB ALA 57 -8.067 -8.813 -6.454 445 HB2 ALA 57 1HB ALA 57 -9.608 -9.060 -7.311 446 HB3 ALA 57 2HB ALA 57 -8.602 -7.638 -7.679 447 H THR 58 H THR 58 -9.438 -9.587 -4.264 448 HA THR 58 HA THR 58 -7.542 -8.294 -2.471 449 HB THR 58 HB THR 58 -10.369 -9.183 -1.764 450 HG1 THR 58 1HG THR 58 -10.318 -7.030 -1.004 451 HG21 THR 58 3HG2 THR 58 -9.211 -8.484 0.637 452 HG22 THR 58 1HG2 THR 58 -9.456 -10.170 0.121 453 HG23 THR 58 2HG2 THR 58 -7.877 -9.386 -0.121 454 H SER 59 H SER 59 -6.310 -9.767 -1.193 455 HA SER 59 HA SER 59 -6.809 -12.549 -1.578 456 HB2 SER 59 1HB SER 59 -4.104 -12.422 -2.322 457 HB3 SER 59 2HB SER 59 -5.452 -12.832 -3.363 458 HG SER 59 HG SER 59 -5.473 -10.166 -3.236 459 H THR 60 H THR 60 -4.893 -13.841 -0.436 460 HA THR 60 HA THR 60 -4.029 -12.237 1.881 461 HB THR 60 HB THR 60 -4.132 -14.797 2.825 462 HG1 THR 60 1HG THR 60 -4.942 -15.660 0.834 463 HG21 THR 60 3HG2 THR 60 -6.819 -14.157 3.012 464 HG22 THR 60 1HG2 THR 60 -5.569 -13.524 4.110 465 HG23 THR 60 2HG2 THR 60 -6.100 -12.556 2.714 466 H VAL 61 H VAL 61 -1.934 -11.741 1.651 467 HA VAL 61 HA VAL 61 -0.087 -13.923 1.391 468 HB VAL 61 HB VAL 61 0.502 -11.810 -0.568 469 HG11 VAL 61 1HG1 VAL 61 0.757 -14.799 -0.341 470 HG12 VAL 61 2HG1 VAL 61 0.918 -14.009 -1.928 471 HG13 VAL 61 3HG1 VAL 61 2.016 -13.567 -0.598 472 HG21 VAL 61 3HG2 VAL 61 -1.699 -13.804 -1.195 473 HG22 VAL 61 1HG2 VAL 61 -1.965 -12.076 -0.860 474 HG23 VAL 61 2HG2 VAL 61 -1.017 -12.571 -2.283 475 H THR 62 H THR 62 2.264 -12.938 1.476 476 HA THR 62 HA THR 62 2.298 -11.230 3.752 477 HB THR 62 HB THR 62 4.718 -11.872 2.045 478 HG1 THR 62 1HG THR 62 4.493 -14.062 2.820 479 HG21 THR 62 3HG2 THR 62 4.593 -12.681 4.891 480 HG22 THR 62 1HG2 THR 62 5.832 -11.721 4.048 481 HG23 THR 62 2HG2 THR 62 4.360 -10.931 4.662 482 H LEU 63 H LEU 63 4.716 -9.718 2.993 483 HA LEU 63 HA LEU 63 3.299 -7.594 1.569 484 HB2 LEU 63 1HB LEU 63 5.192 -6.196 2.516 485 HB3 LEU 63 2HB LEU 63 3.976 -6.795 3.626 486 HG LEU 63 HG LEU 63 6.086 -8.720 3.538 487 HD11 LEU 63 1HD1 LEU 63 7.011 -5.950 3.266 488 HD12 LEU 63 2HD1 LEU 63 7.682 -6.797 4.680 489 HD13 LEU 63 3HD1 LEU 63 7.885 -7.486 3.052 490 HD21 LEU 63 3HD2 LEU 63 6.130 -7.171 5.943 491 HD22 LEU 63 1HD2 LEU 63 4.442 -7.374 5.417 492 HD23 LEU 63 2HD2 LEU 63 5.474 -8.802 5.666 493 H ASP 64 H ASP 64 6.786 -8.560 1.861 494 HA ASP 64 HA ASP 64 7.514 -7.559 -0.552 495 HB2 ASP 64 1HB ASP 64 8.781 -8.862 1.493 496 HB3 ASP 64 2HB ASP 64 8.800 -10.136 0.289 497 HD2 ASP 64 HD ASP 64 11.816 -8.057 0.021 498 H THR 65 H THR 65 5.424 -10.201 0.137 499 HA THR 65 HA THR 65 6.089 -11.924 -2.022 500 HB THR 65 HB THR 65 3.616 -12.683 -1.404 501 HG1 THR 65 1HG THR 65 2.815 -11.102 -0.067 502 HG21 THR 65 3HG2 THR 65 4.441 -13.562 0.868 503 HG22 THR 65 1HG2 THR 65 5.467 -13.998 -0.520 504 HG23 THR 65 2HG2 THR 65 5.955 -12.676 0.568 505 H LEU 66 H LEU 66 4.923 -8.775 -2.032 506 HA LEU 66 HA LEU 66 4.398 -8.847 -4.774 507 HB2 LEU 66 1HB LEU 66 1.941 -8.200 -4.593 508 HB3 LEU 66 2HB LEU 66 2.368 -9.897 -4.494 509 HG LEU 66 HG LEU 66 2.374 -9.179 -1.843 510 HD11 LEU 66 1HD1 LEU 66 1.395 -6.929 -2.767 511 HD12 LEU 66 2HD1 LEU 66 -0.119 -7.861 -2.859 512 HD13 LEU 66 3HD1 LEU 66 0.720 -7.677 -1.300 513 HD21 LEU 66 3HD2 LEU 66 0.272 -10.403 -3.621 514 HD22 LEU 66 1HD2 LEU 66 1.384 -11.194 -2.478 515 HD23 LEU 66 2HD2 LEU 66 0.021 -10.224 -1.868 516 H THR 67 H THR 67 3.883 -7.307 -1.575 517 HA THR 67 HA THR 67 3.382 -4.736 -2.241 518 HB THR 67 HB THR 67 3.899 -6.031 0.047 519 HG1 THR 67 1HG THR 67 3.089 -3.787 -0.362 520 HG21 THR 67 3HG2 THR 67 6.072 -6.008 0.762 521 HG22 THR 67 1HG2 THR 67 6.543 -5.569 -0.897 522 HG23 THR 67 2HG2 THR 67 6.245 -4.295 0.310 523 H GLU 68 H GLU 68 4.724 -2.794 -2.451 524 HA GLU 68 HA GLU 68 6.364 -2.962 -4.607 525 HB2 GLU 68 1HB GLU 68 5.765 -0.924 -2.523 526 HB3 GLU 68 2HB GLU 68 7.283 -0.681 -3.362 527 HG2 GLU 68 1HG GLU 68 5.101 -1.409 -5.210 528 HG3 GLU 68 2HG GLU 68 4.735 0.043 -4.300 529 HE2 GLU 68 HE GLU 68 5.475 -0.351 -7.038 530 H LYS 69 H LYS 69 7.047 -3.735 -1.268 531 HA LYS 69 HA LYS 69 9.686 -3.201 -0.970 532 HB2 LYS 69 1HB LYS 69 8.173 -4.208 0.722 533 HB3 LYS 69 2HB LYS 69 8.258 -5.740 -0.125 534 HG2 LYS 69 1HG LYS 69 10.798 -5.655 0.145 535 HG3 LYS 69 2HG LYS 69 10.588 -4.240 1.157 536 HD2 LYS 69 1HD LYS 69 8.965 -5.690 2.577 537 HD3 LYS 69 2HD LYS 69 9.585 -7.067 1.687 538 HE2 LYS 69 1HE LYS 69 11.490 -5.127 3.046 539 HE3 LYS 69 2HE LYS 69 10.729 -6.413 3.961 540 HZ1 LYS 69 2HZ LYS 69 12.424 -7.664 3.184 541 HZ3 LYS 69 1HZ LYS 69 12.836 -6.607 2.015 542 H HIS 70 H HIS 70 8.184 -5.925 -2.801 543 HA HIS 70 HA HIS 70 10.606 -7.172 -3.419 544 HB2 HIS 70 1HB HIS 70 8.568 -8.391 -3.589 545 HB3 HIS 70 2HB HIS 70 7.863 -7.220 -4.687 546 HD1 HIS 70 1HD HIS 70 7.916 -7.894 -7.087 547 HD2 HIS 70 2HD HIS 70 11.008 -9.679 -4.886 548 HE1 HIS 70 1HE HIS 70 9.142 -9.443 -8.703 549 H ALA 71 H ALA 71 8.617 -4.696 -5.148 550 HA ALA 71 HA ALA 71 10.091 -4.575 -7.472 551 HB1 ALA 71 3HB ALA 71 8.035 -3.430 -7.419 552 HB2 ALA 71 1HB ALA 71 8.434 -2.587 -5.903 553 HB3 ALA 71 2HB ALA 71 9.236 -2.116 -7.421 554 H GLU 72 H GLU 72 10.544 -2.791 -4.349 555 HA GLU 72 HA GLU 72 12.754 -1.364 -5.272 556 HB2 GLU 72 1HB GLU 72 11.198 -1.559 -2.877 557 HB3 GLU 72 2HB GLU 72 12.872 -1.778 -2.407 558 HG2 GLU 72 1HG GLU 72 13.416 0.395 -2.872 559 HG3 GLU 72 2HG GLU 72 12.529 0.394 -4.383 560 HE2 GLU 72 HE GLU 72 9.478 1.236 -2.642 561 H GLN 73 H GLN 73 12.384 -4.481 -3.494 562 HA GLN 73 HA GLN 73 14.947 -4.935 -2.799 563 HB2 GLN 73 1HB GLN 73 12.579 -6.414 -2.905 564 HB3 GLN 73 2HB GLN 73 13.657 -7.335 -3.935 565 HG2 GLN 73 1HG GLN 73 15.305 -6.697 -1.776 566 HG3 GLN 73 2HG GLN 73 13.750 -6.925 -1.001 567 HE21 GLN 73 2HE2 GLN 73 15.500 -10.040 -3.122 568 HE22 GLN 73 1HE2 GLN 73 15.772 -8.382 -3.546 569 H GLU 74 H GLU 74 13.465 -5.119 -6.039 570 HA GLU 74 HA GLU 74 15.971 -6.139 -7.084 571 HB2 GLU 74 1HB GLU 74 13.208 -6.512 -7.774 572 HB3 GLU 74 2HB GLU 74 13.981 -5.729 -9.137 573 HG2 GLU 74 1HG GLU 74 15.642 -7.883 -7.976 574 HG3 GLU 74 2HG GLU 74 14.087 -8.463 -8.539 575 HE2 GLU 74 HE GLU 74 17.000 -8.253 -9.540 576 H ASN 75 H ASN 75 15.662 -3.378 -6.001 577 HA ASN 75 HA ASN 75 16.661 -2.050 -8.336 578 HB2 ASN 75 1HB ASN 75 14.016 -1.449 -7.118 579 HB3 ASN 75 2HB ASN 75 15.047 -0.037 -7.237 580 HD21 ASN 75 2HD2 ASN 75 14.841 0.355 -10.683 581 HD22 ASN 75 1HD2 ASN 75 15.492 0.870 -9.163 582 H MET 76 H MET 76 15.370 -1.343 -4.990 583 HA MET 76 HA MET 76 17.748 0.193 -4.455 584 HB2 MET 76 1HB MET 76 15.252 -0.384 -2.762 585 HB3 MET 76 2HB MET 76 16.493 0.780 -2.342 586 HG2 MET 76 1HG MET 76 14.684 0.890 -4.804 587 HG3 MET 76 2HG MET 76 14.576 1.928 -3.396 588 HE1 MET 76 3HE MET 76 15.797 1.862 -6.947 589 HE2 MET 76 1HE MET 76 14.650 2.996 -6.194 590 HE3 MET 76 2HE MET 76 16.201 3.592 -6.832 591 H THR 77 H THR 77 18.417 -0.089 -1.891 592 HA THR 77 HA THR 77 19.338 -2.845 -1.759 593 HB THR 77 HB THR 77 20.928 -0.924 -1.527 594 HG1 THR 77 1HG THR 77 21.711 -2.569 -0.248 595 HG21 THR 77 3HG2 THR 77 20.866 0.508 0.437 596 HG22 THR 77 1HG2 THR 77 19.255 0.618 -0.313 597 HG23 THR 77 2HG2 THR 77 19.499 -0.401 1.126 598 H LEU 78 H LEU 78 19.632 -3.439 0.833 599 HA LEU 78 HA LEU 78 16.967 -4.076 1.567 600 HB2 LEU 78 1HB LEU 78 19.705 -4.708 2.465 601 HB3 LEU 78 2HB LEU 78 18.481 -4.754 3.719 602 HG LEU 78 HG LEU 78 17.145 -6.305 2.221 603 HD11 LEU 78 1HD1 LEU 78 18.305 -5.702 0.112 604 HD12 LEU 78 2HD1 LEU 78 19.759 -6.541 0.707 605 HD13 LEU 78 3HD1 LEU 78 18.259 -7.455 0.419 606 HD21 LEU 78 3HD2 LEU 78 19.765 -7.003 3.504 607 HD22 LEU 78 1HD2 LEU 78 18.103 -7.379 4.020 608 HD23 LEU 78 2HD2 LEU 78 18.831 -8.257 2.653 609 H THR 79 H THR 79 19.423 -1.682 2.614 610 HA THR 79 HA THR 79 18.177 -0.836 4.950 611 HB THR 79 HB THR 79 20.101 0.318 2.914 612 HG1 THR 79 1HG THR 79 20.867 -1.089 4.591 613 HG21 THR 79 3HG2 THR 79 19.282 1.795 5.454 614 HG22 THR 79 1HG2 THR 79 20.319 2.377 4.129 615 HG23 THR 79 2HG2 THR 79 18.565 2.205 3.877 616 H GLU 80 H GLU 80 17.822 0.487 1.590 617 HA GLU 80 HA GLU 80 16.001 2.411 2.247 618 HB2 GLU 80 1HB GLU 80 17.021 1.152 -0.156 619 HB3 GLU 80 2HB GLU 80 15.293 1.386 -0.330 620 HG2 GLU 80 1HG GLU 80 15.779 3.809 0.617 621 HG3 GLU 80 2HG GLU 80 17.438 3.472 0.165 622 HE2 GLU 80 HE GLU 80 14.506 4.296 -2.244 623 H LEU 81 H LEU 81 15.477 -1.058 1.378 624 HA LEU 81 HA LEU 81 12.695 -0.956 1.320 625 HB2 LEU 81 1HB LEU 81 14.790 -3.043 1.560 626 HB3 LEU 81 2HB LEU 81 13.175 -3.491 2.072 627 HG LEU 81 HG LEU 81 14.105 -2.634 -0.666 628 HD11 LEU 81 1HD1 LEU 81 14.116 -4.816 -1.050 629 HD12 LEU 81 2HD1 LEU 81 13.552 -5.134 0.609 630 HD13 LEU 81 3HD1 LEU 81 12.372 -4.880 -0.699 631 HD21 LEU 81 3HD2 LEU 81 11.599 -2.901 -1.264 632 HD22 LEU 81 1HD2 LEU 81 11.317 -2.559 0.460 633 HD23 LEU 81 2HD2 LEU 81 12.163 -1.368 -0.556 634 H LYS 82 H LYS 82 15.041 -1.139 3.994 635 HA LYS 82 HA LYS 82 13.115 -1.875 5.943 636 HB2 LYS 82 1HB LYS 82 15.839 -1.868 5.823 637 HB3 LYS 82 2HB LYS 82 15.558 -0.442 6.802 638 HG2 LYS 82 1HG LYS 82 15.109 -1.746 8.598 639 HG3 LYS 82 2HG LYS 82 13.756 -2.468 7.750 640 HD2 LYS 82 1HD LYS 82 14.917 -4.382 7.261 641 HD3 LYS 82 2HD LYS 82 16.374 -3.507 6.834 642 HE2 LYS 82 1HE LYS 82 17.136 -3.408 9.085 643 HE3 LYS 82 2HE LYS 82 15.536 -3.683 9.744 644 HZ1 LYS 82 2HZ LYS 82 16.195 -5.823 9.878 645 HZ3 LYS 82 1HZ LYS 82 17.471 -5.624 8.887 646 H LYS 83 H LYS 83 14.282 1.172 4.513 647 HA LYS 83 HA LYS 83 13.180 2.842 6.507 648 HB2 LYS 83 1HB LYS 83 14.832 3.127 4.265 649 HB3 LYS 83 2HB LYS 83 13.399 4.053 3.867 650 HG2 LYS 83 1HG LYS 83 14.728 4.325 6.589 651 HG3 LYS 83 2HG LYS 83 15.307 5.237 5.210 652 HD2 LYS 83 1HD LYS 83 12.661 5.797 4.975 653 HD3 LYS 83 2HD LYS 83 12.706 5.486 6.699 654 HE2 LYS 83 1HE LYS 83 14.597 7.422 5.281 655 HE3 LYS 83 2HE LYS 83 13.105 7.916 6.055 656 HZ1 LYS 83 2HZ LYS 83 14.975 6.327 7.655 657 HZ3 LYS 83 1HZ LYS 83 13.978 7.522 8.135 658 H VAL 84 H VAL 84 12.045 1.831 3.210 659 HA VAL 84 HA VAL 84 9.593 3.175 3.417 660 HB VAL 84 HB VAL 84 9.009 2.012 1.443 661 HG11 VAL 84 1HG1 VAL 84 10.555 3.041 0.195 662 HG12 VAL 84 2HG1 VAL 84 11.421 3.388 1.710 663 HG13 VAL 84 3HG1 VAL 84 11.842 1.946 0.755 664 HG21 VAL 84 3HG2 VAL 84 11.179 0.006 2.142 665 HG22 VAL 84 1HG2 VAL 84 9.422 -0.276 2.139 666 HG23 VAL 84 2HG2 VAL 84 10.274 0.041 0.609 667 H ILE 85 H ILE 85 10.654 -0.178 4.220 668 HA ILE 85 HA ILE 85 8.137 -1.197 4.792 669 HB ILE 85 HB ILE 85 10.938 -1.866 5.603 670 HG12 ILE 85 1HG1 ILE 85 9.727 -2.376 3.327 671 HG13 ILE 85 2HG1 ILE 85 10.782 -3.561 4.072 672 HG21 ILE 85 1HG2 ILE 85 9.979 -2.539 7.588 673 HG22 ILE 85 2HG2 ILE 85 8.415 -2.927 6.832 674 HG23 ILE 85 3HG2 ILE 85 9.810 -4.005 6.593 675 HD11 ILE 85 3HD1 ILE 85 8.161 -4.027 3.299 676 HD12 ILE 85 1HD1 ILE 85 9.069 -5.015 4.469 677 HD13 ILE 85 2HD1 ILE 85 7.989 -3.722 5.044 678 H ALA 86 H ALA 86 10.445 0.720 6.770 679 HA ALA 86 HA ALA 86 8.876 0.464 9.138 680 HB1 ALA 86 3HB ALA 86 11.189 2.246 8.291 681 HB2 ALA 86 1HB ALA 86 10.455 2.301 9.912 682 HB3 ALA 86 2HB ALA 86 11.244 0.810 9.342 683 H ASP 87 H ASP 87 8.869 2.499 6.265 684 HA ASP 87 HA ASP 87 7.430 4.598 7.524 685 HB2 ASP 87 1HB ASP 87 8.824 4.204 5.086 686 HB3 ASP 87 2HB ASP 87 7.157 4.448 4.604 687 HD2 ASP 87 HD ASP 87 6.206 6.353 5.257 688 H ILE 88 H ILE 88 6.785 1.550 5.834 689 HA ILE 88 HA ILE 88 4.001 2.225 5.384 690 HB ILE 88 HB ILE 88 5.655 0.877 3.858 691 HG12 ILE 88 1HG1 ILE 88 2.948 -0.371 4.033 692 HG13 ILE 88 2HG1 ILE 88 3.024 1.363 3.796 693 HG21 ILE 88 1HG2 ILE 88 6.297 -0.827 5.426 694 HG22 ILE 88 2HG2 ILE 88 4.597 -1.263 5.723 695 HG23 ILE 88 3HG2 ILE 88 5.331 -1.576 4.132 696 HD11 ILE 88 3HD1 ILE 88 3.086 -0.327 1.720 697 HD12 ILE 88 1HD1 ILE 88 4.024 1.186 1.701 698 HD13 ILE 88 2HD1 ILE 88 4.826 -0.353 2.098 699 H TYR 89 H TYR 89 5.907 -0.327 7.140 700 HA TYR 89 HA TYR 89 4.703 -0.113 9.553 701 HB2 TYR 89 1HB TYR 89 2.939 -1.981 9.319 702 HB3 TYR 89 2HB TYR 89 2.527 -0.515 8.452 703 HD1 TYR 89 2HD TYR 89 4.268 -3.792 7.898 704 HD2 TYR 89 1HD TYR 89 1.865 -0.673 6.225 705 HE1 TYR 89 2HE TYR 89 4.023 -5.125 5.747 706 HE2 TYR 89 1HE TYR 89 1.627 -2.017 4.080 707 HH TYR 89 HH TYR 89 3.486 -4.190 3.102 708 HA PRO 90 HA PRO 90 7.497 -3.375 10.101 709 HB2 PRO 90 2HB PRO 90 8.004 -2.673 12.235 710 HB3 PRO 90 1HB PRO 90 7.001 -4.030 12.708 711 HG2 PRO 90 1HG PRO 90 5.243 -2.658 13.292 712 HG3 PRO 90 2HG PRO 90 6.397 -1.341 13.217 713 HD2 PRO 90 1HD PRO 90 4.144 -1.750 11.490 714 HD3 PRO 90 2HD PRO 90 5.363 -0.500 11.344 715 H GLY 91 H GLY 91 7.543 -5.701 11.394 716 HA2 GLY 91 1HA GLY 91 6.669 -7.786 11.457 717 HA3 GLY 91 2HA GLY 91 5.089 -7.131 11.072 718 H GLN 92 H GLN 92 7.529 -9.135 9.945 719 HA GLN 92 HA GLN 92 6.763 -8.605 7.180 720 HB2 GLN 92 1HB GLN 92 9.289 -8.470 8.090 721 HB3 GLN 92 2HB GLN 92 9.227 -10.203 7.839 722 HG2 GLN 92 1HG GLN 92 8.032 -8.947 5.534 723 HG3 GLN 92 2HG GLN 92 9.539 -8.117 5.866 724 HE21 GLN 92 2HE2 GLN 92 9.432 -12.072 4.691 725 HE22 GLN 92 1HE2 GLN 92 8.029 -11.230 5.260 726 H THR 93 H THR 93 4.856 -9.981 8.388 727 HA THR 93 HA THR 93 5.393 -12.772 7.630 728 HB THR 93 HB THR 93 4.316 -13.535 9.630 729 HG1 THR 93 1HG THR 93 3.593 -10.700 9.888 730 HG21 THR 93 3HG2 THR 93 5.322 -11.091 10.996 731 HG22 THR 93 1HG2 THR 93 5.774 -12.793 11.254 732 HG23 THR 93 2HG2 THR 93 6.521 -11.864 9.932 733 H GLN 94 H GLN 94 3.563 -13.965 6.834 734 HA GLN 94 HA GLN 94 2.197 -12.830 4.907 735 HB2 GLN 94 1HB GLN 94 1.363 -15.057 6.789 736 HB3 GLN 94 2HB GLN 94 0.330 -14.592 5.452 737 HG2 GLN 94 1HG GLN 94 1.820 -15.365 3.836 738 HG3 GLN 94 2HG GLN 94 3.234 -15.026 4.815 739 HE21 GLN 94 2HE2 GLN 94 3.251 -18.607 4.832 740 HE22 GLN 94 1HE2 GLN 94 3.704 -17.221 3.898 741 H PHE 95 H PHE 95 0.108 -11.847 4.545 742 HA PHE 95 HA PHE 95 -1.518 -11.172 6.796 743 HB2 PHE 95 1HB PHE 95 0.524 -9.337 5.559 744 HB3 PHE 95 2HB PHE 95 -1.065 -8.623 5.751 745 HD1 PHE 95 2HD PHE 95 -1.939 -9.876 8.297 746 HD2 PHE 95 1HD PHE 95 1.820 -8.263 7.168 747 HE1 PHE 95 2HE PHE 95 -1.428 -9.384 10.705 748 HE2 PHE 95 1HE PHE 95 2.331 -7.771 9.576 749 HZ PHE 95 HZ PHE 95 0.702 -8.338 11.315 750 H TYR 96 H TYR 96 -3.178 -9.295 5.889 751 HA TYR 96 HA TYR 96 -4.361 -10.558 3.593 752 HB2 TYR 96 1HB TYR 96 -4.997 -8.804 5.869 753 HB3 TYR 96 2HB TYR 96 -5.604 -8.064 4.401 754 HD1 TYR 96 1HD TYR 96 -7.276 -9.292 2.984 755 HD2 TYR 96 2HD TYR 96 -6.054 -10.734 6.822 756 HE1 TYR 96 1HE TYR 96 -9.315 -10.807 3.071 757 HE2 TYR 96 2HE TYR 96 -8.097 -12.245 6.896 758 HH TYR 96 HH TYR 96 -9.586 -13.348 5.060 759 H VAL 97 H VAL 97 -4.351 -9.856 1.497 760 HA VAL 97 HA VAL 97 -3.114 -7.230 1.033 761 HB VAL 97 HB VAL 97 -2.942 -9.803 -0.543 762 HG11 VAL 97 1HG1 VAL 97 -2.105 -8.721 -2.359 763 HG12 VAL 97 2HG1 VAL 97 -3.118 -7.394 -1.742 764 HG13 VAL 97 3HG1 VAL 97 -1.373 -7.420 -1.389 765 HG21 VAL 97 3HG2 VAL 97 -1.156 -10.146 0.760 766 HG22 VAL 97 1HG2 VAL 97 -0.387 -8.780 -0.084 767 HG23 VAL 97 2HG2 VAL 97 -1.251 -8.507 1.448 768 H ILE 98 H ILE 98 -4.306 -5.753 -0.092 769 HA ILE 98 HA ILE 98 -6.723 -6.785 -1.405 770 HB ILE 98 HB ILE 98 -6.589 -4.061 -0.170 771 HG12 ILE 98 1HG1 ILE 98 -5.924 -5.459 1.662 772 HG13 ILE 98 2HG1 ILE 98 -7.599 -5.000 1.894 773 HG21 ILE 98 1HG2 ILE 98 -8.751 -3.950 -0.699 774 HG22 ILE 98 2HG2 ILE 98 -8.470 -5.390 -1.707 775 HG23 ILE 98 3HG2 ILE 98 -9.082 -5.572 -0.046 776 HD11 ILE 98 3HD1 ILE 98 -8.304 -7.158 1.810 777 HD12 ILE 98 1HD1 ILE 98 -7.369 -7.479 0.330 778 HD13 ILE 98 2HD1 ILE 98 -6.587 -7.612 1.923 779 H GLU 99 H GLU 99 -6.898 -6.319 -3.539 780 HA GLU 99 HA GLU 99 -4.881 -4.527 -4.593 781 HB2 GLU 99 1HB GLU 99 -5.522 -7.008 -5.414 782 HB3 GLU 99 2HB GLU 99 -6.702 -6.133 -6.370 783 HG2 GLU 99 1HG GLU 99 -4.975 -4.802 -7.448 784 HG3 GLU 99 2HG GLU 99 -3.750 -5.368 -6.329 785 HE2 GLU 99 HE GLU 99 -4.020 -8.503 -6.980 786 H PHE 100 H PHE 100 -5.424 -2.788 -6.061 787 HA PHE 100 HA PHE 100 -8.240 -2.187 -6.371 788 HB2 PHE 100 1HB PHE 100 -7.951 0.028 -5.308 789 HB3 PHE 100 2HB PHE 100 -7.409 -1.186 -4.166 790 HD1 PHE 100 2HD PHE 100 -4.793 -1.785 -4.453 791 HD2 PHE 100 1HD PHE 100 -6.617 1.884 -5.556 792 HE1 PHE 100 2HE PHE 100 -2.573 -0.627 -4.276 793 HE2 PHE 100 1HE PHE 100 -4.397 3.042 -5.379 794 HZ PHE 100 HZ PHE 100 -2.401 1.772 -4.741 795 H LYS 101 H LYS 101 -8.516 -0.158 -7.790 796 HA LYS 101 HA LYS 101 -6.177 0.342 -9.450 797 HB2 LYS 101 1HB LYS 101 -7.230 -0.232 -11.489 798 HB3 LYS 101 2HB LYS 101 -7.453 -1.603 -10.422 799 HG2 LYS 101 1HG LYS 101 -9.743 -1.239 -10.188 800 HG3 LYS 101 2HG LYS 101 -9.600 0.498 -10.374 801 HD2 LYS 101 1HD LYS 101 -8.844 -0.160 -12.862 802 HD3 LYS 101 2HD LYS 101 -9.719 -1.636 -12.508 803 HE2 LYS 101 1HE LYS 101 -11.013 1.049 -11.940 804 HE3 LYS 101 2HE LYS 101 -10.999 0.421 -13.576 805 HZ1 LYS 101 2HZ LYS 101 -12.133 -0.975 -11.211 806 HZ3 LYS 101 1HZ LYS 101 -12.060 -1.626 -12.701 807 H CYS 102 H CYS 102 -6.291 2.362 -10.600 808 HA CYS 102 HA CYS 102 -8.104 4.193 -9.277 809 HB2 CYS 102 1HB CYS 102 -5.481 4.451 -9.749 810 HB3 CYS 102 2HB CYS 102 -6.066 5.137 -11.252 811 HG CYS 102 HG CYS 102 -7.378 5.908 -8.326 812 H LEU 103 H LEU 103 -8.499 6.175 -11.168 813 HA LEU 103 HA LEU 103 -9.474 4.882 -13.581 814 HB2 LEU 103 1HB LEU 103 -11.669 6.173 -13.226 815 HB3 LEU 103 2HB LEU 103 -11.437 4.625 -12.439 816 HG LEU 103 HG LEU 103 -10.557 6.222 -10.461 817 HD11 LEU 103 1HD1 LEU 103 -11.501 8.311 -10.341 818 HD12 LEU 103 2HD1 LEU 103 -11.172 8.194 -12.087 819 HD13 LEU 103 3HD1 LEU 103 -12.817 7.907 -11.470 820 HD21 LEU 103 3HD2 LEU 103 -12.359 4.469 -10.433 821 HD22 LEU 103 1HD2 LEU 103 -12.643 5.868 -9.371 822 HD23 LEU 103 2HD2 LEU 103 -13.508 5.738 -10.921 Start of MODEL 7 1 H1 MET 1 1H MET 1 -13.945 7.786 6.881 2 HA MET 1 HA MET 1 -16.454 8.799 6.757 3 HB2 MET 1 1HB MET 1 -15.697 7.731 9.491 4 HB3 MET 1 2HB MET 1 -16.581 9.242 9.434 5 HG2 MET 1 1HG MET 1 -18.363 8.141 8.050 6 HG3 MET 1 2HG MET 1 -17.481 6.628 8.126 7 HE1 MET 1 3HE MET 1 -20.448 6.831 9.003 8 HE2 MET 1 1HE MET 1 -19.498 5.336 9.177 9 HE3 MET 1 2HE MET 1 -20.453 5.949 10.549 10 H GLN 2 H GLN 2 -14.328 9.400 9.608 11 HA GLN 2 HA GLN 2 -13.878 12.044 8.579 12 HB2 GLN 2 1HB GLN 2 -14.098 10.853 11.172 13 HB3 GLN 2 2HB GLN 2 -12.480 11.516 11.063 14 HG2 GLN 2 1HG GLN 2 -14.018 13.539 9.916 15 HG3 GLN 2 2HG GLN 2 -15.089 12.923 11.159 16 HE21 GLN 2 2HE2 GLN 2 -13.012 15.626 12.618 17 HE22 GLN 2 1HE2 GLN 2 -14.146 15.450 11.320 18 HA PRO 3 HA PRO 3 -9.461 10.361 8.850 19 HB2 PRO 3 2HB PRO 3 -8.939 9.111 10.712 20 HB3 PRO 3 1HB PRO 3 -8.998 7.770 9.585 21 HG2 PRO 3 1HG PRO 3 -11.037 7.055 10.386 22 HG3 PRO 3 2HG PRO 3 -10.747 8.122 11.746 23 HD2 PRO 3 1HD PRO 3 -12.796 8.395 9.757 24 HD3 PRO 3 2HD PRO 3 -12.432 9.522 11.049 25 H ASN 4 H ASN 4 -7.918 8.760 7.616 26 HA ASN 4 HA ASN 4 -9.211 8.526 5.104 27 HB2 ASN 4 1HB ASN 4 -6.720 9.149 5.605 28 HB3 ASN 4 2HB ASN 4 -6.456 7.433 5.841 29 HD21 ASN 4 2HD2 ASN 4 -7.288 9.005 2.104 30 HD22 ASN 4 1HD2 ASN 4 -7.666 9.852 3.567 31 H ASP 5 H ASP 5 -8.551 6.286 3.833 32 HA ASP 5 HA ASP 5 -9.677 4.209 5.494 33 HB2 ASP 5 1HB ASP 5 -9.064 4.178 2.503 34 HB3 ASP 5 2HB ASP 5 -10.050 3.016 3.369 35 HD2 ASP 5 HD ASP 5 -11.367 3.730 1.597 36 H ILE 6 H ILE 6 -6.905 4.921 3.258 37 HA ILE 6 HA ILE 6 -5.193 3.218 4.800 38 HB ILE 6 HB ILE 6 -5.990 1.438 3.572 39 HG12 ILE 6 1HG1 ILE 6 -3.771 2.322 1.729 40 HG13 ILE 6 2HG1 ILE 6 -3.452 1.913 3.403 41 HG21 ILE 6 1HG2 ILE 6 -6.349 1.531 1.083 42 HG22 ILE 6 2HG2 ILE 6 -7.475 2.509 2.055 43 HG23 ILE 6 3HG2 ILE 6 -6.133 3.294 1.188 44 HD11 ILE 6 3HD1 ILE 6 -3.178 -0.184 2.455 45 HD12 ILE 6 1HD1 ILE 6 -4.927 -0.254 2.777 46 HD13 ILE 6 2HD1 ILE 6 -4.338 0.141 1.145 47 H THR 7 H THR 7 -3.047 3.861 4.619 48 HA THR 7 HA THR 7 -2.639 6.180 2.859 49 HB THR 7 HB THR 7 -0.642 6.434 4.571 50 HG1 THR 7 1HG THR 7 -0.757 4.493 5.711 51 HG21 THR 7 3HG2 THR 7 -1.968 7.798 5.924 52 HG22 THR 7 1HG2 THR 7 -3.108 7.578 4.575 53 HG23 THR 7 2HG2 THR 7 -3.265 6.585 6.044 54 H PHE 8 H PHE 8 -0.251 6.440 2.150 55 HA PHE 8 HA PHE 8 1.028 3.905 1.630 56 HB2 PHE 8 1HB PHE 8 0.104 5.842 -0.576 57 HB3 PHE 8 2HB PHE 8 0.971 4.343 -0.845 58 HD1 PHE 8 1HD PHE 8 -2.214 5.637 0.590 59 HD2 PHE 8 2HD PHE 8 -0.214 2.390 -1.272 60 HE1 PHE 8 1HE PHE 8 -4.395 4.412 0.383 61 HE2 PHE 8 2HE PHE 8 -2.395 1.165 -1.479 62 HZ PHE 8 HZ PHE 8 -4.460 2.191 -0.649 63 H PHE 9 H PHE 9 3.231 4.149 1.630 64 HA PHE 9 HA PHE 9 4.447 6.411 2.456 65 HB2 PHE 9 1HB PHE 9 5.346 4.014 2.150 66 HB3 PHE 9 2HB PHE 9 5.504 4.343 0.436 67 HD1 PHE 9 2HD PHE 9 6.311 6.657 3.224 68 HD2 PHE 9 1HD PHE 9 7.823 4.166 0.139 69 HE1 PHE 9 2HE PHE 9 8.615 7.574 3.612 70 HE2 PHE 9 1HE PHE 9 10.127 5.083 0.527 71 HZ PHE 9 HZ PHE 9 10.496 6.776 2.259 72 H GLN 10 H GLN 10 6.096 7.817 1.272 73 HA GLN 10 HA GLN 10 4.816 9.325 -0.605 74 HB2 GLN 10 1HB GLN 10 6.779 10.021 0.805 75 HB3 GLN 10 2HB GLN 10 7.830 9.058 -0.214 76 HG2 GLN 10 1HG GLN 10 6.328 10.649 -2.021 77 HG3 GLN 10 2HG GLN 10 6.727 11.728 -0.699 78 HE21 GLN 10 2HE2 GLN 10 9.531 12.142 -2.933 79 HE22 GLN 10 1HE2 GLN 10 7.869 12.587 -2.737 80 H ARG 11 H ARG 11 7.658 7.122 -1.203 81 HA ARG 11 HA ARG 11 7.695 7.316 -3.881 82 HB2 ARG 11 1HB ARG 11 8.133 4.720 -2.323 83 HB3 ARG 11 2HB ARG 11 8.828 5.116 -3.882 84 HG2 ARG 11 1HG ARG 11 9.631 7.296 -2.382 85 HG3 ARG 11 2HG ARG 11 9.626 6.038 -1.162 86 HD2 ARG 11 1HD ARG 11 11.576 5.209 -1.973 87 HD3 ARG 11 2HD ARG 11 10.829 4.925 -3.533 88 HE ARG 11 HE ARG 11 12.446 7.275 -2.759 89 HH11 ARG 11 2HH2 ARG 11 10.287 5.832 -5.170 90 HH12 ARG 11 1HH2 ARG 11 10.790 6.898 -6.439 91 HH21 ARG 11 1HH ARG 11 12.451 8.564 -5.984 92 H PHE 12 H PHE 12 5.532 5.341 -1.809 93 HA PHE 12 HA PHE 12 4.470 3.725 -3.820 94 HB2 PHE 12 1HB PHE 12 4.284 4.051 -1.068 95 HB3 PHE 12 2HB PHE 12 2.745 4.731 -1.557 96 HD1 PHE 12 1HD PHE 12 1.344 3.238 -3.217 97 HD2 PHE 12 2HD PHE 12 4.428 1.772 -0.697 98 HE1 PHE 12 1HE PHE 12 0.372 0.929 -3.370 99 HE2 PHE 12 2HE PHE 12 3.456 -0.537 -0.851 100 HZ PHE 12 HZ PHE 12 1.440 -0.931 -2.185 101 H GLN 13 H GLN 13 3.521 6.972 -2.562 102 HA GLN 13 HA GLN 13 1.143 7.107 -3.990 103 HB2 GLN 13 1HB GLN 13 2.805 8.879 -2.353 104 HB3 GLN 13 2HB GLN 13 2.092 9.752 -3.694 105 HG2 GLN 13 1HG GLN 13 0.140 7.933 -2.468 106 HG3 GLN 13 2HG GLN 13 0.817 9.024 -1.275 107 HE21 GLN 13 2HE2 GLN 13 -2.061 10.830 -2.521 108 HE22 GLN 13 1HE2 GLN 13 -1.639 9.492 -1.505 109 H ASP 14 H ASP 14 4.510 8.178 -4.746 110 HA ASP 14 HA ASP 14 3.960 9.531 -7.050 111 HB2 ASP 14 1HB ASP 14 6.175 9.617 -6.121 112 HB3 ASP 14 2HB ASP 14 6.341 7.873 -6.144 113 HD2 ASP 14 HD ASP 14 8.339 7.965 -7.878 114 H ASP 15 H ASP 15 4.675 6.021 -6.462 115 HA ASP 15 HA ASP 15 4.760 5.213 -9.073 116 HB2 ASP 15 1HB ASP 15 5.104 3.967 -6.726 117 HB3 ASP 15 2HB ASP 15 3.439 3.482 -6.975 118 HD2 ASP 15 HD ASP 15 6.490 3.478 -8.545 119 H ILE 16 H ILE 16 1.999 5.497 -6.737 120 HA ILE 16 HA ILE 16 0.035 4.400 -8.370 121 HB ILE 16 HB ILE 16 -0.125 6.452 -6.163 122 HG12 ILE 16 1HG1 ILE 16 -0.862 3.552 -5.911 123 HG13 ILE 16 2HG1 ILE 16 0.825 4.020 -5.832 124 HG21 ILE 16 1HG2 ILE 16 -2.226 6.768 -6.866 125 HG22 ILE 16 2HG2 ILE 16 -2.195 5.336 -7.923 126 HG23 ILE 16 3HG2 ILE 16 -2.537 5.153 -6.185 127 HD11 ILE 16 3HD1 ILE 16 -1.146 5.598 -4.185 128 HD12 ILE 16 1HD1 ILE 16 -0.695 3.966 -3.635 129 HD13 ILE 16 2HD1 ILE 16 0.559 5.211 -3.847 130 H LEU 17 H LEU 17 1.306 7.758 -8.069 131 HA LEU 17 HA LEU 17 -0.575 8.971 -9.714 132 HB2 LEU 17 1HB LEU 17 0.568 10.757 -9.132 133 HB3 LEU 17 2HB LEU 17 1.670 9.708 -8.262 134 HG LEU 17 HG LEU 17 2.816 9.513 -10.663 135 HD11 LEU 17 1HD1 LEU 17 1.400 12.189 -10.757 136 HD12 LEU 17 2HD1 LEU 17 2.758 11.719 -11.809 137 HD13 LEU 17 3HD1 LEU 17 1.219 10.828 -11.890 138 HD21 LEU 17 3HD2 LEU 17 4.358 10.267 -9.233 139 HD22 LEU 17 1HD2 LEU 17 3.921 11.889 -9.822 140 HD23 LEU 17 2HD2 LEU 17 3.179 11.252 -8.334 141 H ALA 18 H ALA 18 2.095 6.797 -10.421 142 HA ALA 18 HA ALA 18 2.174 7.557 -13.207 143 HB1 ALA 18 3HB ALA 18 3.797 6.053 -11.306 144 HB2 ALA 18 1HB ALA 18 3.569 5.149 -12.822 145 HB3 ALA 18 2HB ALA 18 4.261 6.789 -12.859 146 H GLY 19 H GLY 19 -0.181 6.183 -11.479 147 HA2 GLY 19 1HA GLY 19 -1.843 4.730 -11.896 148 HA3 GLY 19 2HA GLY 19 -1.489 4.977 -13.594 149 H ARG 20 H ARG 20 -0.091 3.235 -10.719 150 HA ARG 20 HA ARG 20 0.274 0.979 -12.519 151 HB2 ARG 20 1HB ARG 20 2.275 2.431 -10.973 152 HB3 ARG 20 2HB ARG 20 2.190 0.779 -10.396 153 HG2 ARG 20 1HG ARG 20 2.641 -0.121 -12.596 154 HG3 ARG 20 2HG ARG 20 2.372 1.430 -13.366 155 HD2 ARG 20 1HD ARG 20 4.442 1.675 -11.313 156 HD3 ARG 20 2HD ARG 20 4.848 0.385 -12.427 157 HE ARG 20 HE ARG 20 3.939 2.667 -13.921 158 HH11 ARG 20 2HH2 ARG 20 6.723 1.570 -12.023 159 HH12 ARG 20 1HH2 ARG 20 7.852 2.577 -12.867 160 HH21 ARG 20 1HH ARG 20 7.069 3.995 -14.633 161 H LYS 21 H LYS 21 -1.518 -0.243 -11.825 162 HA LYS 21 HA LYS 21 -2.720 -0.353 -9.453 163 HB2 LYS 21 1HB LYS 21 -2.102 -2.858 -11.034 164 HB3 LYS 21 2HB LYS 21 -3.503 -2.538 -10.033 165 HG2 LYS 21 1HG LYS 21 -4.541 -1.806 -11.917 166 HG3 LYS 21 2HG LYS 21 -3.521 -0.384 -11.821 167 HD2 LYS 21 1HD LYS 21 -1.744 -1.715 -13.130 168 HD3 LYS 21 2HD LYS 21 -2.972 -2.936 -13.397 169 HE2 LYS 21 1HE LYS 21 -4.391 -0.753 -14.182 170 HE3 LYS 21 2HE LYS 21 -2.780 -0.156 -14.523 171 HZ1 LYS 21 2HZ LYS 21 -2.399 -1.920 -16.026 172 HZ3 LYS 21 1HZ LYS 21 -3.932 -1.480 -16.355 173 H THR 22 H THR 22 -1.880 -0.354 -7.436 174 HA THR 22 HA THR 22 0.326 -2.242 -6.928 175 HB THR 22 HB THR 22 -0.294 0.445 -5.591 176 HG1 THR 22 1HG THR 22 1.181 1.187 -7.118 177 HG21 THR 22 3HG2 THR 22 2.115 -1.445 -5.462 178 HG22 THR 22 1HG2 THR 22 2.077 0.199 -4.779 179 HG23 THR 22 2HG2 THR 22 1.015 -1.066 -4.115 180 H ILE 23 H ILE 23 0.236 -3.582 -5.142 181 HA ILE 23 HA ILE 23 -2.444 -3.808 -4.019 182 HB ILE 23 HB ILE 23 -0.358 -5.815 -3.417 183 HG12 ILE 23 1HG1 ILE 23 -1.087 -6.780 -5.819 184 HG13 ILE 23 2HG1 ILE 23 -1.122 -5.069 -6.199 185 HG21 ILE 23 1HG2 ILE 23 -3.064 -5.662 -3.094 186 HG22 ILE 23 2HG2 ILE 23 -2.936 -6.601 -4.601 187 HG23 ILE 23 3HG2 ILE 23 -2.119 -7.170 -3.125 188 HD11 ILE 23 3HD1 ILE 23 1.254 -5.705 -4.620 189 HD12 ILE 23 1HD1 ILE 23 1.161 -6.729 -6.073 190 HD13 ILE 23 2HD1 ILE 23 1.141 -4.956 -6.231 191 H THR 24 H THR 24 -2.571 -4.404 -1.628 192 HA THR 24 HA THR 24 -0.424 -3.138 -0.088 193 HB THR 24 HB THR 24 -2.081 -1.780 1.124 194 HG1 THR 24 1HG THR 24 -3.759 -3.527 0.756 195 HG21 THR 24 3HG2 THR 24 -1.423 -0.595 -0.887 196 HG22 THR 24 1HG2 THR 24 -2.397 -1.674 -1.915 197 HG23 THR 24 2HG2 THR 24 -3.200 -0.511 -0.832 198 H ILE 25 H ILE 25 -0.781 -3.552 2.344 199 HA ILE 25 HA ILE 25 -2.012 -6.193 2.675 200 HB ILE 25 HB ILE 25 0.688 -5.339 3.726 201 HG12 ILE 25 1HG1 ILE 25 1.203 -7.500 2.205 202 HG13 ILE 25 2HG1 ILE 25 -0.162 -6.862 1.312 203 HG21 ILE 25 1HG2 ILE 25 -0.190 -8.165 3.858 204 HG22 ILE 25 2HG2 ILE 25 0.768 -7.197 5.004 205 HG23 ILE 25 3HG2 ILE 25 -1.004 -7.035 4.967 206 HD11 ILE 25 3HD1 ILE 25 1.076 -4.550 1.505 207 HD12 ILE 25 1HD1 ILE 25 2.504 -5.542 1.886 208 HD13 ILE 25 2HD1 ILE 25 1.669 -5.746 0.328 209 H ARG 26 H ARG 26 -3.160 -6.482 4.579 210 HA ARG 26 HA ARG 26 -2.997 -4.269 6.451 211 HB2 ARG 26 1HB ARG 26 -5.705 -5.381 6.314 212 HB3 ARG 26 2HB ARG 26 -5.195 -3.710 6.179 213 HG2 ARG 26 1HG ARG 26 -4.856 -5.662 3.867 214 HG3 ARG 26 2HG ARG 26 -6.358 -4.793 4.115 215 HD2 ARG 26 1HD ARG 26 -3.688 -3.332 3.980 216 HD3 ARG 26 2HD ARG 26 -4.590 -3.719 2.529 217 HE ARG 26 HE ARG 26 -6.315 -2.199 3.188 218 HH11 ARG 26 2HH2 ARG 26 -3.750 -2.393 5.624 219 HH12 ARG 26 1HH2 ARG 26 -4.258 -0.960 6.454 220 HH21 ARG 26 1HH ARG 26 -6.163 0.250 5.647 221 H ASP 27 H ASP 27 -4.349 -4.956 8.574 222 HA ASP 27 HA ASP 27 -3.451 -7.655 9.150 223 HB2 ASP 27 1HB ASP 27 -2.541 -6.020 10.674 224 HB3 ASP 27 2HB ASP 27 -4.093 -5.232 10.874 225 HD2 ASP 27 HD ASP 27 -3.722 -8.907 12.168 226 H GLU 28 H GLU 28 -5.009 -9.255 9.554 227 HA GLU 28 HA GLU 28 -7.630 -8.855 8.955 228 HB2 GLU 28 1HB GLU 28 -6.821 -11.085 8.936 229 HB3 GLU 28 2HB GLU 28 -6.182 -10.974 10.563 230 HG2 GLU 28 1HG GLU 28 -8.247 -12.324 10.554 231 HG3 GLU 28 2HG GLU 28 -8.489 -10.860 11.486 232 HE2 GLU 28 HE GLU 28 -10.279 -9.547 10.682 233 H SER 29 H SER 29 -5.954 -8.639 12.128 234 HA SER 29 HA SER 29 -8.231 -8.501 13.686 235 HB2 SER 29 1HB SER 29 -6.276 -8.846 14.911 236 HB3 SER 29 2HB SER 29 -5.357 -7.672 13.990 237 HG SER 29 HG SER 29 -5.856 -6.172 15.428 238 H GLU 30 H GLU 30 -7.011 -6.328 11.320 239 HA GLU 30 HA GLU 30 -8.626 -4.196 12.486 240 HB2 GLU 30 1HB GLU 30 -5.901 -4.147 11.257 241 HB3 GLU 30 2HB GLU 30 -6.962 -2.826 10.808 242 HG2 GLU 30 1HG GLU 30 -7.258 -2.141 13.101 243 HG3 GLU 30 2HG GLU 30 -6.586 -3.637 13.718 244 HE2 GLU 30 HE GLU 30 -4.865 -1.256 11.368 245 H SER 31 H SER 31 -9.008 -6.570 10.453 246 HA SER 31 HA SER 31 -9.216 -5.904 7.931 247 HB2 SER 31 1HB SER 31 -10.435 -7.803 7.895 248 HB3 SER 31 2HB SER 31 -10.512 -7.746 9.645 249 HG SER 31 HG SER 31 -12.543 -7.481 7.910 250 H HIS 32 H HIS 32 -9.993 -4.181 6.773 251 HA HIS 32 HA HIS 32 -12.170 -2.660 8.010 252 HB2 HIS 32 1HB HIS 32 -11.312 -0.707 6.827 253 HB3 HIS 32 2HB HIS 32 -10.105 -1.393 7.896 254 HD1 HIS 32 1HD HIS 32 -10.389 -0.043 4.613 255 HD2 HIS 32 2HD HIS 32 -8.323 -3.304 6.255 256 HE1 HIS 32 1HE HIS 32 -8.526 -0.614 2.965 257 H PHE 33 H PHE 33 -11.865 -1.319 5.062 258 HA PHE 33 HA PHE 33 -14.219 -2.273 4.058 259 HB2 PHE 33 1HB PHE 33 -11.764 -0.820 3.134 260 HB3 PHE 33 2HB PHE 33 -12.660 -1.568 1.827 261 HD1 PHE 33 1HD PHE 33 -15.435 -1.226 2.582 262 HD2 PHE 33 2HD PHE 33 -12.178 1.449 3.073 263 HE1 PHE 33 1HE PHE 33 -17.027 0.714 2.563 264 HE2 PHE 33 2HE PHE 33 -13.770 3.390 3.054 265 HZ PHE 33 HZ PHE 33 -16.175 2.999 2.799 266 H LYS 34 H LYS 34 -13.931 -3.080 1.421 267 HA LYS 34 HA LYS 34 -12.254 -5.448 1.442 268 HB2 LYS 34 1HB LYS 34 -14.109 -6.943 0.884 269 HB3 LYS 34 2HB LYS 34 -14.302 -6.249 2.481 270 HG2 LYS 34 1HG LYS 34 -16.144 -4.984 1.870 271 HG3 LYS 34 2HG LYS 34 -15.546 -4.693 0.249 272 HD2 LYS 34 1HD LYS 34 -16.620 -6.521 -0.610 273 HD3 LYS 34 2HD LYS 34 -16.149 -7.546 0.731 274 HE2 LYS 34 1HE LYS 34 -17.971 -6.724 2.118 275 HE3 LYS 34 2HE LYS 34 -18.332 -5.431 0.991 276 HZ1 LYS 34 2HZ LYS 34 -19.818 -6.916 0.179 277 HZ3 LYS 34 1HZ LYS 34 -19.093 -8.214 0.843 278 H THR 35 H THR 35 -13.361 -6.620 -0.906 279 HA THR 35 HA THR 35 -12.309 -4.773 -2.841 280 HB THR 35 HB THR 35 -13.596 -7.516 -3.259 281 HG1 THR 35 1HG THR 35 -11.905 -8.091 -1.945 282 HG21 THR 35 3HG2 THR 35 -11.714 -5.712 -4.787 283 HG22 THR 35 1HG2 THR 35 -11.419 -7.467 -4.849 284 HG23 THR 35 2HG2 THR 35 -12.975 -6.805 -5.407 285 H GLY 36 H GLY 36 -13.371 -3.894 -4.660 286 HA2 GLY 36 1HA GLY 36 -15.187 -3.279 -5.914 287 HA3 GLY 36 2HA GLY 36 -16.257 -4.140 -4.826 288 H ASP 37 H ASP 37 -14.553 -2.640 -2.558 289 HA ASP 37 HA ASP 37 -16.450 -0.512 -2.393 290 HB2 ASP 37 1HB ASP 37 -14.758 -2.026 -0.590 291 HB3 ASP 37 2HB ASP 37 -14.429 -0.321 -0.351 292 HD2 ASP 37 HD ASP 37 -17.581 -1.843 1.322 293 H VAL 38 H VAL 38 -14.941 1.493 -1.039 294 HA VAL 38 HA VAL 38 -13.131 2.353 -3.182 295 HB VAL 38 HB VAL 38 -15.254 3.625 -1.648 296 HG11 VAL 38 1HG1 VAL 38 -13.703 4.747 -0.318 297 HG12 VAL 38 2HG1 VAL 38 -12.500 4.848 -1.626 298 HG13 VAL 38 3HG1 VAL 38 -13.951 5.878 -1.671 299 HG21 VAL 38 3HG2 VAL 38 -14.903 5.327 -3.572 300 HG22 VAL 38 1HG2 VAL 38 -13.758 4.128 -4.219 301 HG23 VAL 38 2HG2 VAL 38 -15.465 3.687 -3.976 302 H LEU 39 H LEU 39 -11.092 3.302 -2.623 303 HA LEU 39 HA LEU 39 -10.309 2.890 0.170 304 HB2 LEU 39 1HB LEU 39 -9.067 1.755 -2.303 305 HB3 LEU 39 2HB LEU 39 -8.040 2.189 -0.951 306 HG LEU 39 HG LEU 39 -10.402 0.307 -0.725 307 HD11 LEU 39 1HD1 LEU 39 -9.049 -0.932 -2.105 308 HD12 LEU 39 2HD1 LEU 39 -7.550 -0.197 -1.488 309 HD13 LEU 39 3HD1 LEU 39 -8.420 -1.401 -0.507 310 HD21 LEU 39 3HD2 LEU 39 -8.146 0.203 1.191 311 HD22 LEU 39 1HD2 LEU 39 -9.185 1.647 1.279 312 HD23 LEU 39 2HD2 LEU 39 -9.898 0.025 1.455 313 H ARG 40 H ARG 40 -9.949 4.914 0.917 314 HA ARG 40 HA ARG 40 -9.243 6.977 -0.859 315 HB2 ARG 40 1HB ARG 40 -10.362 6.832 1.683 316 HB3 ARG 40 2HB ARG 40 -8.755 7.428 2.047 317 HG2 ARG 40 1HG ARG 40 -9.257 9.493 1.247 318 HG3 ARG 40 2HG ARG 40 -9.806 8.831 -0.281 319 HD2 ARG 40 1HD ARG 40 -12.023 8.894 0.336 320 HD3 ARG 40 2HD ARG 40 -11.691 8.355 1.970 321 HE ARG 40 HE ARG 40 -10.755 11.082 1.439 322 HH11 ARG 40 2HH2 ARG 40 -13.518 9.122 2.476 323 HH12 ARG 40 1HH2 ARG 40 -14.288 10.427 3.315 324 HH21 ARG 40 1HH ARG 40 -13.242 12.583 3.343 325 H VAL 41 H VAL 41 -7.196 7.486 -1.578 326 HA VAL 41 HA VAL 41 -4.950 6.285 -0.151 327 HB VAL 41 HB VAL 41 -5.348 7.390 -2.926 328 HG11 VAL 41 1HG1 VAL 41 -3.192 8.180 -2.477 329 HG12 VAL 41 2HG1 VAL 41 -2.778 6.772 -1.469 330 HG13 VAL 41 3HG1 VAL 41 -2.900 6.598 -3.237 331 HG21 VAL 41 3HG2 VAL 41 -6.048 5.214 -3.046 332 HG22 VAL 41 1HG2 VAL 41 -4.305 4.964 -3.306 333 HG23 VAL 41 2HG2 VAL 41 -5.014 4.687 -1.697 334 H GLY 42 H GLY 42 -3.324 7.503 0.802 335 HA2 GLY 42 1HA GLY 42 -3.551 10.433 0.566 336 HA3 GLY 42 2HA GLY 42 -3.537 9.668 2.142 337 H ARG 43 H ARG 43 -1.556 10.152 3.027 338 HA ARG 43 HA ARG 43 0.700 8.977 1.772 339 HB2 ARG 43 1HB ARG 43 0.675 11.179 0.623 340 HB3 ARG 43 2HB ARG 43 0.588 12.011 2.163 341 HG2 ARG 43 1HG ARG 43 2.836 11.857 2.481 342 HG3 ARG 43 2HG ARG 43 2.842 10.140 2.133 343 HD2 ARG 43 1HD ARG 43 3.172 10.471 -0.192 344 HD3 ARG 43 2HD ARG 43 2.534 12.103 -0.156 345 HE ARG 43 HE ARG 43 5.268 11.266 0.599 346 HH11 ARG 43 2HH2 ARG 43 2.867 13.872 0.573 347 HH12 ARG 43 1HH2 ARG 43 4.043 15.125 0.792 348 HH21 ARG 43 1HH ARG 43 6.360 14.541 0.974 349 H PHE 44 H PHE 44 2.130 8.287 3.381 350 HA PHE 44 HA PHE 44 1.351 8.665 6.071 351 HB2 PHE 44 1HB PHE 44 2.853 6.879 4.524 352 HB3 PHE 44 2HB PHE 44 4.124 7.737 5.373 353 HD1 PHE 44 1HD PHE 44 3.559 8.040 8.010 354 HD2 PHE 44 2HD PHE 44 2.108 4.938 5.503 355 HE1 PHE 44 1HE PHE 44 3.201 6.582 10.021 356 HE2 PHE 44 2HE PHE 44 1.750 3.480 7.514 357 HZ PHE 44 HZ PHE 44 2.301 4.319 9.750 358 H GLU 45 H GLU 45 3.715 10.198 3.894 359 HA GLU 45 HA GLU 45 5.480 11.231 5.644 360 HB2 GLU 45 1HB GLU 45 4.750 11.661 2.948 361 HB3 GLU 45 2HB GLU 45 4.686 13.253 3.678 362 HG2 GLU 45 1HG GLU 45 7.058 11.633 4.474 363 HG3 GLU 45 2HG GLU 45 6.995 12.030 2.768 364 HE2 GLU 45 HE GLU 45 8.233 14.471 2.727 365 H ASP 46 H ASP 46 2.238 12.582 4.754 366 HA ASP 46 HA ASP 46 1.533 13.428 7.178 367 HB2 ASP 46 1HB ASP 46 2.048 16.055 6.646 368 HB3 ASP 46 2HB ASP 46 3.058 15.064 7.679 369 HD2 ASP 46 HD ASP 46 5.456 15.349 6.803 370 H ASP 47 H ASP 47 1.854 14.155 3.700 371 HA ASP 47 HA ASP 47 -0.035 15.924 3.174 372 HB2 ASP 47 1HB ASP 47 1.284 13.847 1.762 373 HB3 ASP 47 2HB ASP 47 -0.418 13.594 1.431 374 HD2 ASP 47 HD ASP 47 1.751 15.633 -0.597 375 H GLY 48 H GLY 48 -0.538 12.368 3.749 376 HA2 GLY 48 1HA GLY 48 -2.318 11.224 4.518 377 HA3 GLY 48 2HA GLY 48 -3.042 12.739 5.018 378 H TYR 49 H TYR 49 -5.155 12.079 4.300 379 HA TYR 49 HA TYR 49 -5.972 10.950 2.048 380 HB2 TYR 49 1HB TYR 49 -7.542 11.835 3.690 381 HB3 TYR 49 2HB TYR 49 -6.860 13.445 3.585 382 HD1 TYR 49 1HD TYR 49 -8.046 11.156 0.863 383 HD2 TYR 49 2HD TYR 49 -8.609 14.852 2.944 384 HE1 TYR 49 1HE TYR 49 -9.858 11.821 -0.792 385 HE2 TYR 49 2HE TYR 49 -10.418 15.504 1.282 386 HH TYR 49 HH TYR 49 -11.950 13.416 -0.625 387 H PHE 50 H PHE 50 -5.605 11.175 -0.097 388 HA PHE 50 HA PHE 50 -5.002 13.888 -1.045 389 HB2 PHE 50 1HB PHE 50 -3.330 11.675 -0.976 390 HB3 PHE 50 2HB PHE 50 -4.103 11.416 -2.527 391 HD1 PHE 50 2HD PHE 50 -3.093 14.616 -0.907 392 HD2 PHE 50 1HD PHE 50 -2.463 11.893 -4.101 393 HE1 PHE 50 2HE PHE 50 -1.498 16.235 -1.972 394 HE2 PHE 50 1HE PHE 50 -0.867 13.512 -5.165 395 HZ PHE 50 HZ PHE 50 -0.404 15.664 -4.088 396 H CYS 51 H CYS 51 -6.085 10.595 -2.158 397 HA CYS 51 HA CYS 51 -8.298 11.874 -3.505 398 HB2 CYS 51 1HB CYS 51 -6.519 10.041 -5.123 399 HB3 CYS 51 2HB CYS 51 -7.846 11.040 -5.680 400 HG CYS 51 HG CYS 51 -4.754 11.651 -5.138 401 H THR 52 H THR 52 -9.565 9.848 -4.673 402 HA THR 52 HA THR 52 -9.442 7.603 -2.768 403 HB THR 52 HB THR 52 -12.012 8.602 -4.047 404 HG1 THR 52 1HG THR 52 -10.843 10.387 -2.948 405 HG21 THR 52 3HG2 THR 52 -11.841 6.446 -2.605 406 HG22 THR 52 1HG2 THR 52 -11.473 7.527 -1.239 407 HG23 THR 52 2HG2 THR 52 -13.038 7.654 -2.078 408 H ILE 53 H ILE 53 -9.971 5.517 -3.573 409 HA ILE 53 HA ILE 53 -10.280 5.317 -6.454 410 HB ILE 53 HB ILE 53 -8.338 4.275 -6.925 411 HG12 ILE 53 1HG1 ILE 53 -6.989 3.316 -4.745 412 HG13 ILE 53 2HG1 ILE 53 -8.651 3.085 -4.239 413 HG21 ILE 53 1HG2 ILE 53 -6.439 5.338 -5.733 414 HG22 ILE 53 2HG2 ILE 53 -7.704 6.491 -6.220 415 HG23 ILE 53 3HG2 ILE 53 -7.585 5.963 -4.524 416 HD11 ILE 53 3HD1 ILE 53 -8.751 2.225 -6.875 417 HD12 ILE 53 1HD1 ILE 53 -7.123 1.711 -6.370 418 HD13 ILE 53 2HD1 ILE 53 -8.551 1.162 -5.461 419 H GLU 54 H GLU 54 -10.531 2.840 -7.017 420 HA GLU 54 HA GLU 54 -12.147 1.723 -4.861 421 HB2 GLU 54 1HB GLU 54 -12.849 2.359 -7.540 422 HB3 GLU 54 2HB GLU 54 -12.757 0.610 -7.485 423 HG2 GLU 54 1HG GLU 54 -14.464 0.424 -5.876 424 HG3 GLU 54 2HG GLU 54 -14.185 2.032 -5.236 425 HE2 GLU 54 HE GLU 54 -14.435 3.581 -7.529 426 H VAL 55 H VAL 55 -11.871 -0.472 -4.301 427 HA VAL 55 HA VAL 55 -9.350 -1.564 -4.768 428 HB VAL 55 HB VAL 55 -11.623 -3.327 -4.019 429 HG11 VAL 55 1HG1 VAL 55 -8.774 -2.866 -3.191 430 HG12 VAL 55 2HG1 VAL 55 -9.897 -3.652 -2.056 431 HG13 VAL 55 3HG1 VAL 55 -9.597 -4.374 -3.655 432 HG21 VAL 55 3HG2 VAL 55 -12.532 -1.560 -2.854 433 HG22 VAL 55 1HG2 VAL 55 -11.381 -2.183 -1.647 434 HG23 VAL 55 2HG2 VAL 55 -10.961 -0.756 -2.625 435 H THR 56 H THR 56 -8.813 -3.624 -5.873 436 HA THR 56 HA THR 56 -10.533 -4.044 -8.229 437 HB THR 56 HB THR 56 -8.402 -2.754 -8.700 438 HG1 THR 56 1HG THR 56 -9.006 -4.022 -10.452 439 HG21 THR 56 3HG2 THR 56 -6.273 -3.690 -8.349 440 HG22 THR 56 1HG2 THR 56 -7.111 -4.261 -6.887 441 HG23 THR 56 2HG2 THR 56 -6.908 -5.351 -8.279 442 H ALA 57 H ALA 57 -8.271 -5.449 -5.821 443 HA ALA 57 HA ALA 57 -9.743 -7.906 -5.950 444 HB1 ALA 57 3HB ALA 57 -8.402 -9.044 -7.343 445 HB2 ALA 57 1HB ALA 57 -7.435 -7.574 -7.615 446 HB3 ALA 57 2HB ALA 57 -7.006 -8.690 -6.297 447 H THR 58 H THR 58 -8.692 -9.525 -4.319 448 HA THR 58 HA THR 58 -6.977 -8.330 -2.349 449 HB THR 58 HB THR 58 -9.979 -8.615 -1.946 450 HG1 THR 58 1HG THR 58 -9.594 -6.444 -1.692 451 HG21 THR 58 3HG2 THR 58 -9.428 -9.672 0.065 452 HG22 THR 58 1HG2 THR 58 -7.761 -9.046 0.050 453 HG23 THR 58 2HG2 THR 58 -9.105 -7.988 0.543 454 H SER 59 H SER 59 -5.916 -9.848 -1.127 455 HA SER 59 HA SER 59 -6.970 -12.483 -0.979 456 HB2 SER 59 1HB SER 59 -4.388 -13.014 -2.001 457 HB3 SER 59 2HB SER 59 -5.921 -13.370 -2.770 458 HG SER 59 HG SER 59 -4.629 -12.082 -4.173 459 H THR 60 H THR 60 -5.330 -13.944 0.277 460 HA THR 60 HA THR 60 -4.017 -12.233 2.265 461 HB THR 60 HB THR 60 -4.104 -14.619 3.463 462 HG1 THR 60 1HG THR 60 -5.071 -16.009 2.037 463 HG21 THR 60 3HG2 THR 60 -6.890 -14.019 3.346 464 HG22 THR 60 1HG2 THR 60 -5.741 -13.505 4.605 465 HG23 THR 60 2HG2 THR 60 -6.053 -12.454 3.203 466 H VAL 61 H VAL 61 -1.897 -11.908 2.103 467 HA VAL 61 HA VAL 61 -0.181 -14.149 1.626 468 HB VAL 61 HB VAL 61 0.495 -12.035 -0.267 469 HG11 VAL 61 1HG1 VAL 61 0.686 -14.061 -1.782 470 HG12 VAL 61 2HG1 VAL 61 1.699 -14.090 -0.318 471 HG13 VAL 61 3HG1 VAL 61 0.200 -15.049 -0.383 472 HG21 VAL 61 3HG2 VAL 61 -1.998 -11.938 -0.410 473 HG22 VAL 61 1HG2 VAL 61 -1.213 -12.466 -1.917 474 HG23 VAL 61 2HG2 VAL 61 -2.000 -13.660 -0.857 475 H THR 62 H THR 62 2.232 -13.174 1.498 476 HA THR 62 HA THR 62 2.494 -11.645 3.893 477 HB THR 62 HB THR 62 4.759 -12.182 1.960 478 HG1 THR 62 1HG THR 62 4.568 -14.444 2.694 479 HG21 THR 62 3HG2 THR 62 5.186 -13.352 4.502 480 HG22 THR 62 1HG2 THR 62 5.883 -11.821 3.922 481 HG23 THR 62 2HG2 THR 62 4.365 -11.812 4.852 482 H LEU 63 H LEU 63 4.887 -10.139 2.989 483 HA LEU 63 HA LEU 63 3.394 -7.893 1.857 484 HB2 LEU 63 1HB LEU 63 5.311 -6.557 2.743 485 HB3 LEU 63 2HB LEU 63 4.290 -7.328 3.940 486 HG LEU 63 HG LEU 63 6.313 -9.194 3.522 487 HD11 LEU 63 1HD1 LEU 63 8.209 -8.232 2.893 488 HD12 LEU 63 2HD1 LEU 63 7.296 -6.744 2.546 489 HD13 LEU 63 3HD1 LEU 63 8.044 -6.977 4.144 490 HD21 LEU 63 3HD2 LEU 63 7.155 -8.049 5.774 491 HD22 LEU 63 1HD2 LEU 63 5.579 -7.233 5.642 492 HD23 LEU 63 2HD2 LEU 63 5.660 -9.010 5.693 493 H ASP 64 H ASP 64 6.835 -9.060 1.755 494 HA ASP 64 HA ASP 64 7.356 -7.877 -0.664 495 HB2 ASP 64 1HB ASP 64 8.785 -9.313 1.211 496 HB3 ASP 64 2HB ASP 64 8.742 -10.464 -0.110 497 HD2 ASP 64 HD ASP 64 11.611 -9.347 -0.642 498 H THR 65 H THR 65 5.248 -10.446 0.064 499 HA THR 65 HA THR 65 5.739 -12.125 -2.195 500 HB THR 65 HB THR 65 3.324 -12.894 -1.387 501 HG1 THR 65 1HG THR 65 3.257 -10.718 -0.197 502 HG21 THR 65 3HG2 THR 65 5.321 -14.204 -0.756 503 HG22 THR 65 1HG2 THR 65 5.780 -12.971 0.444 504 HG23 THR 65 2HG2 THR 65 4.315 -13.952 0.691 505 H LEU 66 H LEU 66 4.552 -8.977 -1.937 506 HA LEU 66 HA LEU 66 3.781 -8.946 -4.636 507 HB2 LEU 66 1HB LEU 66 1.388 -8.345 -4.294 508 HB3 LEU 66 2HB LEU 66 1.787 -10.034 -4.054 509 HG LEU 66 HG LEU 66 1.962 -9.287 -1.509 510 HD11 LEU 66 1HD1 LEU 66 -0.242 -7.431 -2.341 511 HD12 LEU 66 2HD1 LEU 66 0.714 -7.471 -0.840 512 HD13 LEU 66 3HD1 LEU 66 1.445 -6.862 -2.344 513 HD21 LEU 66 3HD2 LEU 66 -0.419 -9.935 -1.234 514 HD22 LEU 66 1HD2 LEU 66 -0.618 -9.835 -3.000 515 HD23 LEU 66 2HD2 LEU 66 0.498 -11.030 -2.297 516 H THR 67 H THR 67 3.553 -7.489 -1.356 517 HA THR 67 HA THR 67 3.076 -4.890 -1.921 518 HB THR 67 HB THR 67 3.742 -6.277 0.288 519 HG1 THR 67 1HG THR 67 3.816 -4.127 1.199 520 HG21 THR 67 3HG2 THR 67 6.306 -5.820 -0.810 521 HG22 THR 67 1HG2 THR 67 6.102 -4.519 0.388 522 HG23 THR 67 2HG2 THR 67 5.952 -6.221 0.888 523 H GLU 68 H GLU 68 4.372 -2.983 -2.284 524 HA GLU 68 HA GLU 68 5.875 -3.131 -4.513 525 HB2 GLU 68 1HB GLU 68 5.487 -1.134 -2.341 526 HB3 GLU 68 2HB GLU 68 6.944 -0.905 -3.288 527 HG2 GLU 68 1HG GLU 68 4.575 -1.529 -4.953 528 HG3 GLU 68 2HG GLU 68 4.380 -0.063 -4.014 529 HE2 GLU 68 HE GLU 68 5.318 -0.949 -6.886 530 H LYS 69 H LYS 69 6.797 -3.969 -1.239 531 HA LYS 69 HA LYS 69 9.493 -3.522 -1.228 532 HB2 LYS 69 1HB LYS 69 8.047 -4.380 0.642 533 HB3 LYS 69 2HB LYS 69 8.096 -5.965 -0.103 534 HG2 LYS 69 1HG LYS 69 10.727 -5.594 -0.080 535 HG3 LYS 69 2HG LYS 69 10.366 -4.389 1.141 536 HD2 LYS 69 1HD LYS 69 9.290 -6.043 2.573 537 HD3 LYS 69 2HD LYS 69 9.335 -7.256 1.309 538 HE2 LYS 69 1HE LYS 69 11.891 -7.079 1.354 539 HE3 LYS 69 2HE LYS 69 11.734 -6.052 2.765 540 HZ1 LYS 69 2HZ LYS 69 12.037 -8.374 3.407 541 HZ3 LYS 69 1HZ LYS 69 10.715 -8.838 2.577 542 H HIS 70 H HIS 70 7.605 -5.876 -3.087 543 HA HIS 70 HA HIS 70 9.822 -7.507 -3.743 544 HB2 HIS 70 1HB HIS 70 7.497 -8.301 -3.774 545 HB3 HIS 70 2HB HIS 70 7.118 -7.191 -5.076 546 HD1 HIS 70 1HD HIS 70 9.524 -10.111 -4.433 547 HD2 HIS 70 2HD HIS 70 7.415 -8.284 -7.565 548 HE1 HIS 70 1HE HIS 70 9.913 -11.559 -6.498 549 H ALA 71 H ALA 71 7.950 -4.982 -5.571 550 HA ALA 71 HA ALA 71 9.555 -5.002 -7.828 551 HB1 ALA 71 3HB ALA 71 8.397 -2.404 -6.940 552 HB2 ALA 71 1HB ALA 71 8.209 -3.274 -8.482 553 HB3 ALA 71 2HB ALA 71 7.261 -3.769 -7.059 554 H GLU 72 H GLU 72 9.925 -3.380 -4.655 555 HA GLU 72 HA GLU 72 12.059 -1.760 -5.533 556 HB2 GLU 72 1HB GLU 72 10.409 -1.877 -3.285 557 HB3 GLU 72 2HB GLU 72 11.966 -2.358 -2.642 558 HG2 GLU 72 1HG GLU 72 12.982 -0.312 -3.785 559 HG3 GLU 72 2HG GLU 72 11.357 0.192 -4.205 560 HE2 GLU 72 HE GLU 72 10.088 -0.481 -1.729 561 H GLN 73 H GLN 73 11.773 -4.906 -3.784 562 HA GLN 73 HA GLN 73 14.358 -5.258 -3.078 563 HB2 GLN 73 1HB GLN 73 12.005 -6.895 -3.407 564 HB3 GLN 73 2HB GLN 73 13.375 -7.781 -4.045 565 HG2 GLN 73 1HG GLN 73 13.889 -6.388 -1.457 566 HG3 GLN 73 2HG GLN 73 12.698 -7.672 -1.374 567 HE21 GLN 73 2HE2 GLN 73 15.428 -9.780 -0.757 568 HE22 GLN 73 1HE2 GLN 73 14.075 -8.915 -0.108 569 H GLU 74 H GLU 74 12.854 -5.576 -6.303 570 HA GLU 74 HA GLU 74 15.402 -6.492 -7.346 571 HB2 GLU 74 1HB GLU 74 12.579 -6.826 -8.117 572 HB3 GLU 74 2HB GLU 74 13.585 -6.372 -9.478 573 HG2 GLU 74 1HG GLU 74 15.155 -8.284 -8.175 574 HG3 GLU 74 2HG GLU 74 13.531 -8.901 -7.939 575 HE2 GLU 74 HE GLU 74 12.468 -9.456 -10.577 576 H ASN 75 H ASN 75 14.959 -3.725 -6.339 577 HA ASN 75 HA ASN 75 15.765 -2.407 -8.771 578 HB2 ASN 75 1HB ASN 75 13.175 -1.999 -7.543 579 HB3 ASN 75 2HB ASN 75 14.117 -0.545 -7.282 580 HD21 ASN 75 2HD2 ASN 75 13.277 -1.841 -11.137 581 HD22 ASN 75 1HD2 ASN 75 13.396 -2.946 -9.809 582 H MET 76 H MET 76 14.794 -1.702 -5.319 583 HA MET 76 HA MET 76 17.178 -0.110 -5.032 584 HB2 MET 76 1HB MET 76 14.826 -0.710 -3.151 585 HB3 MET 76 2HB MET 76 16.114 0.416 -2.772 586 HG2 MET 76 1HG MET 76 14.276 0.659 -5.204 587 HG3 MET 76 2HG MET 76 14.048 1.534 -3.703 588 HE1 MET 76 3HE MET 76 16.955 1.967 -7.031 589 HE2 MET 76 1HE MET 76 15.429 1.069 -6.852 590 HE3 MET 76 2HE MET 76 15.399 2.821 -7.164 591 H THR 77 H THR 77 18.100 -0.349 -2.544 592 HA THR 77 HA THR 77 19.113 -3.071 -2.487 593 HB THR 77 HB THR 77 20.650 -1.103 -2.369 594 HG1 THR 77 1HG THR 77 21.731 -2.441 -0.977 595 HG21 THR 77 3HG2 THR 77 20.691 0.308 -0.367 596 HG22 THR 77 1HG2 THR 77 19.059 0.420 -1.069 597 HG23 THR 77 2HG2 THR 77 19.346 -0.606 0.356 598 H LEU 78 H LEU 78 19.651 -3.612 0.101 599 HA LEU 78 HA LEU 78 17.084 -4.393 1.029 600 HB2 LEU 78 1HB LEU 78 19.910 -4.868 1.721 601 HB3 LEU 78 2HB LEU 78 18.792 -4.959 3.068 602 HG LEU 78 HG LEU 78 17.443 -6.501 1.331 603 HD11 LEU 78 1HD1 LEU 78 18.737 -6.597 -0.552 604 HD12 LEU 78 2HD1 LEU 78 20.266 -6.453 0.348 605 HD13 LEU 78 3HD1 LEU 78 19.381 -7.997 0.339 606 HD21 LEU 78 3HD2 LEU 78 18.459 -6.935 3.690 607 HD22 LEU 78 1HD2 LEU 78 18.066 -8.309 2.628 608 HD23 LEU 78 2HD2 LEU 78 19.752 -7.758 2.784 609 H THR 79 H THR 79 19.470 -1.854 1.874 610 HA THR 79 HA THR 79 18.346 -1.054 4.290 611 HB THR 79 HB THR 79 20.043 0.208 2.113 612 HG1 THR 79 1HG THR 79 20.894 -1.281 3.754 613 HG21 THR 79 3HG2 THR 79 18.481 1.969 3.312 614 HG22 THR 79 1HG2 THR 79 19.452 1.595 4.756 615 HG23 THR 79 2HG2 THR 79 20.237 2.262 3.305 616 H GLU 80 H GLU 80 17.743 0.307 0.979 617 HA GLU 80 HA GLU 80 15.839 2.090 1.773 618 HB2 GLU 80 1HB GLU 80 16.807 0.947 -0.715 619 HB3 GLU 80 2HB GLU 80 15.064 1.114 -0.796 620 HG2 GLU 80 1HG GLU 80 15.427 3.523 0.137 621 HG3 GLU 80 2HG GLU 80 17.121 3.289 -0.249 622 HE2 GLU 80 HE GLU 80 17.290 4.505 -2.209 623 H LEU 81 H LEU 81 15.517 -1.394 0.909 624 HA LEU 81 HA LEU 81 12.752 -1.522 0.873 625 HB2 LEU 81 1HB LEU 81 14.931 -3.503 1.459 626 HB3 LEU 81 2HB LEU 81 13.245 -3.961 1.591 627 HG LEU 81 HG LEU 81 14.786 -4.129 -0.673 628 HD11 LEU 81 1HD1 LEU 81 12.740 -4.714 -1.823 629 HD12 LEU 81 2HD1 LEU 81 12.693 -5.338 -0.157 630 HD13 LEU 81 3HD1 LEU 81 11.767 -3.880 -0.587 631 HD21 LEU 81 3HD2 LEU 81 12.993 -1.719 -1.061 632 HD22 LEU 81 1HD2 LEU 81 14.764 -1.657 -0.895 633 HD23 LEU 81 2HD2 LEU 81 14.029 -2.502 -2.279 634 H LYS 82 H LYS 82 15.095 -1.654 3.599 635 HA LYS 82 HA LYS 82 13.140 -2.297 5.533 636 HB2 LYS 82 1HB LYS 82 15.884 -2.243 5.439 637 HB3 LYS 82 2HB LYS 82 15.542 -0.841 6.433 638 HG2 LYS 82 1HG LYS 82 15.144 -2.208 8.194 639 HG3 LYS 82 2HG LYS 82 13.767 -2.880 7.343 640 HD2 LYS 82 1HD LYS 82 15.087 -4.647 6.374 641 HD3 LYS 82 2HD LYS 82 16.596 -3.855 6.785 642 HE2 LYS 82 1HE LYS 82 16.607 -4.727 8.896 643 HE3 LYS 82 2HE LYS 82 14.926 -4.315 9.169 644 HZ1 LYS 82 2HZ LYS 82 14.518 -6.500 8.925 645 HZ3 LYS 82 1HZ LYS 82 16.019 -6.828 8.384 646 H LYS 83 H LYS 83 14.330 0.718 4.052 647 HA LYS 83 HA LYS 83 13.268 2.463 5.972 648 HB2 LYS 83 1HB LYS 83 14.787 2.647 3.628 649 HB3 LYS 83 2HB LYS 83 13.322 3.536 3.264 650 HG2 LYS 83 1HG LYS 83 13.594 4.835 5.397 651 HG3 LYS 83 2HG LYS 83 15.076 3.961 5.730 652 HD2 LYS 83 1HD LYS 83 15.683 4.815 3.232 653 HD3 LYS 83 2HD LYS 83 14.538 6.073 3.655 654 HE2 LYS 83 1HE LYS 83 16.989 5.300 5.312 655 HE3 LYS 83 2HE LYS 83 16.884 6.697 4.260 656 HZ1 LYS 83 2HZ LYS 83 15.815 7.814 5.874 657 HZ3 LYS 83 1HZ LYS 83 16.079 6.578 6.900 658 H VAL 84 H VAL 84 11.963 1.300 2.788 659 HA VAL 84 HA VAL 84 9.501 2.616 3.102 660 HB VAL 84 HB VAL 84 8.820 1.368 1.198 661 HG11 VAL 84 1HG1 VAL 84 10.187 2.668 0.009 662 HG12 VAL 84 2HG1 VAL 84 11.384 2.682 1.327 663 HG13 VAL 84 3HG1 VAL 84 11.427 1.394 0.100 664 HG21 VAL 84 3HG2 VAL 84 9.504 -0.873 2.043 665 HG22 VAL 84 1HG2 VAL 84 9.960 -0.591 0.346 666 HG23 VAL 84 2HG2 VAL 84 11.190 -0.481 1.628 667 H ILE 85 H ILE 85 10.699 -0.669 3.962 668 HA ILE 85 HA ILE 85 8.225 -1.726 4.689 669 HB ILE 85 HB ILE 85 11.084 -2.356 5.179 670 HG12 ILE 85 1HG1 ILE 85 9.382 -3.086 3.253 671 HG13 ILE 85 2HG1 ILE 85 10.695 -4.110 3.800 672 HG21 ILE 85 1HG2 ILE 85 10.517 -2.834 7.357 673 HG22 ILE 85 2HG2 ILE 85 8.838 -3.259 6.947 674 HG23 ILE 85 3HG2 ILE 85 10.161 -4.383 6.557 675 HD11 ILE 85 3HD1 ILE 85 8.106 -4.943 3.689 676 HD12 ILE 85 1HD1 ILE 85 9.288 -5.606 4.843 677 HD13 ILE 85 2HD1 ILE 85 8.154 -4.336 5.361 678 H ALA 86 H ALA 86 10.566 0.362 6.408 679 HA ALA 86 HA ALA 86 9.201 0.095 8.910 680 HB1 ALA 86 3HB ALA 86 10.764 2.145 9.384 681 HB2 ALA 86 1HB ALA 86 11.491 0.542 9.115 682 HB3 ALA 86 2HB ALA 86 11.477 1.744 7.803 683 H ASP 87 H ASP 87 8.913 2.034 5.988 684 HA ASP 87 HA ASP 87 7.497 4.123 7.300 685 HB2 ASP 87 1HB ASP 87 8.743 3.715 4.780 686 HB3 ASP 87 2HB ASP 87 7.042 3.921 4.411 687 HD2 ASP 87 HD ASP 87 9.403 6.492 6.154 688 H ILE 88 H ILE 88 6.855 1.030 5.683 689 HA ILE 88 HA ILE 88 4.040 1.593 5.353 690 HB ILE 88 HB ILE 88 5.661 0.203 3.840 691 HG12 ILE 88 1HG1 ILE 88 3.037 -1.159 4.188 692 HG13 ILE 88 2HG1 ILE 88 2.991 0.572 3.917 693 HG21 ILE 88 1HG2 ILE 88 5.432 -2.241 4.280 694 HG22 ILE 88 2HG2 ILE 88 6.443 -1.380 5.464 695 HG23 ILE 88 3HG2 ILE 88 4.778 -1.846 5.888 696 HD11 ILE 88 3HD1 ILE 88 4.850 -0.172 2.031 697 HD12 ILE 88 1HD1 ILE 88 3.804 -1.612 2.069 698 HD13 ILE 88 2HD1 ILE 88 3.107 -0.015 1.707 699 H TYR 89 H TYR 89 6.071 -0.809 7.178 700 HA TYR 89 HA TYR 89 4.965 -0.480 9.622 701 HB2 TYR 89 1HB TYR 89 3.210 -2.353 9.585 702 HB3 TYR 89 2HB TYR 89 2.754 -0.974 8.605 703 HD1 TYR 89 2HD TYR 89 4.393 -4.329 8.352 704 HD2 TYR 89 1HD TYR 89 2.154 -1.277 6.359 705 HE1 TYR 89 2HE TYR 89 4.101 -5.850 6.336 706 HE2 TYR 89 1HE TYR 89 1.869 -2.808 4.350 707 HH TYR 89 HH TYR 89 2.762 -6.152 4.491 708 HA PRO 90 HA PRO 90 7.920 -3.617 10.125 709 HB2 PRO 90 2HB PRO 90 8.757 -2.613 12.020 710 HB3 PRO 90 1HB PRO 90 7.843 -3.860 12.846 711 HG2 PRO 90 1HG PRO 90 6.199 -2.376 13.482 712 HG3 PRO 90 2HG PRO 90 7.324 -1.112 13.028 713 HD2 PRO 90 1HD PRO 90 4.827 -1.724 11.757 714 HD3 PRO 90 2HD PRO 90 6.007 -0.538 11.233 715 H GLY 91 H GLY 91 8.277 -5.805 11.327 716 HA2 GLY 91 1HA GLY 91 7.353 -7.798 12.021 717 HA3 GLY 91 2HA GLY 91 5.742 -7.193 11.691 718 H GLN 92 H GLN 92 7.872 -9.501 10.727 719 HA GLN 92 HA GLN 92 7.126 -9.245 7.922 720 HB2 GLN 92 1HB GLN 92 9.629 -9.613 8.968 721 HB3 GLN 92 2HB GLN 92 9.152 -11.283 8.734 722 HG2 GLN 92 1HG GLN 92 8.335 -9.874 6.378 723 HG3 GLN 92 2HG GLN 92 9.960 -9.327 6.741 724 HE21 GLN 92 2HE2 GLN 92 10.122 -12.343 4.562 725 HE22 GLN 92 1HE2 GLN 92 9.399 -10.771 4.487 726 H THR 93 H THR 93 4.916 -10.008 8.729 727 HA THR 93 HA THR 93 4.908 -12.946 8.729 728 HB THR 93 HB THR 93 3.357 -12.980 10.564 729 HG1 THR 93 1HG THR 93 2.417 -10.875 11.213 730 HG21 THR 93 3HG2 THR 93 5.631 -12.364 11.408 731 HG22 THR 93 1HG2 THR 93 5.265 -10.646 11.118 732 HG23 THR 93 2HG2 THR 93 4.360 -11.552 12.354 733 H GLN 94 H GLN 94 3.007 -13.926 7.823 734 HA GLN 94 HA GLN 94 2.125 -12.485 5.588 735 HB2 GLN 94 1HB GLN 94 1.526 -15.186 6.791 736 HB3 GLN 94 2HB GLN 94 0.473 -14.582 5.528 737 HG2 GLN 94 1HG GLN 94 2.068 -14.826 3.893 738 HG3 GLN 94 2HG GLN 94 3.361 -14.248 4.924 739 HE21 GLN 94 2HE2 GLN 94 4.549 -17.360 5.887 740 HE22 GLN 94 1HE2 GLN 94 4.664 -15.633 5.948 741 H PHE 95 H PHE 95 -0.020 -11.725 5.060 742 HA PHE 95 HA PHE 95 -2.075 -11.820 7.029 743 HB2 PHE 95 1HB PHE 95 -1.851 -9.045 6.706 744 HB3 PHE 95 2HB PHE 95 -1.307 -9.917 8.125 745 HD1 PHE 95 2HD PHE 95 0.207 -9.897 4.728 746 HD2 PHE 95 1HD PHE 95 0.589 -8.734 8.791 747 HE1 PHE 95 2HE PHE 95 2.560 -9.141 4.290 748 HE2 PHE 95 1HE PHE 95 2.942 -7.979 8.353 749 HZ PHE 95 HZ PHE 95 3.900 -8.191 6.108 750 H TYR 96 H TYR 96 -3.817 -9.935 6.261 751 HA TYR 96 HA TYR 96 -4.622 -10.789 3.711 752 HB2 TYR 96 1HB TYR 96 -5.405 -9.019 5.955 753 HB3 TYR 96 2HB TYR 96 -5.823 -8.275 4.424 754 HD1 TYR 96 2HD TYR 96 -6.075 -11.654 6.056 755 HD2 TYR 96 1HD TYR 96 -7.949 -8.690 3.604 756 HE1 TYR 96 2HE TYR 96 -8.178 -13.077 5.931 757 HE2 TYR 96 1HE TYR 96 -10.046 -10.123 3.488 758 HH TYR 96 HH TYR 96 -10.084 -13.328 4.301 759 H VAL 97 H VAL 97 -4.849 -9.580 1.727 760 HA VAL 97 HA VAL 97 -3.202 -7.173 1.564 761 HB VAL 97 HB VAL 97 -2.907 -9.669 -0.112 762 HG11 VAL 97 1HG1 VAL 97 -1.775 -8.540 -1.750 763 HG12 VAL 97 2HG1 VAL 97 -2.920 -7.265 -1.268 764 HG13 VAL 97 3HG1 VAL 97 -1.250 -7.241 -0.651 765 HG21 VAL 97 3HG2 VAL 97 -1.322 -8.350 2.019 766 HG22 VAL 97 1HG2 VAL 97 -1.403 -10.061 1.535 767 HG23 VAL 97 2HG2 VAL 97 -0.399 -8.921 0.608 768 H ILE 98 H ILE 98 -4.248 -5.579 0.473 769 HA ILE 98 HA ILE 98 -6.509 -6.432 -1.201 770 HB ILE 98 HB ILE 98 -6.390 -3.762 0.144 771 HG12 ILE 98 1HG1 ILE 98 -6.030 -5.076 2.046 772 HG13 ILE 98 2HG1 ILE 98 -7.765 -4.833 2.009 773 HG21 ILE 98 1HG2 ILE 98 -8.539 -3.569 -0.478 774 HG22 ILE 98 2HG2 ILE 98 -8.123 -4.840 -1.652 775 HG23 ILE 98 3HG2 ILE 98 -8.912 -5.271 -0.115 776 HD11 ILE 98 3HD1 ILE 98 -8.073 -7.073 1.992 777 HD12 ILE 98 1HD1 ILE 98 -7.210 -7.174 0.438 778 HD13 ILE 98 2HD1 ILE 98 -6.310 -7.318 1.967 779 H GLU 99 H GLU 99 -6.383 -5.910 -3.321 780 HA GLU 99 HA GLU 99 -4.189 -4.173 -4.060 781 HB2 GLU 99 1HB GLU 99 -4.816 -6.588 -5.047 782 HB3 GLU 99 2HB GLU 99 -5.860 -5.643 -6.089 783 HG2 GLU 99 1HG GLU 99 -3.134 -4.505 -5.820 784 HG3 GLU 99 2HG GLU 99 -3.147 -6.112 -6.518 785 HE2 GLU 99 HE GLU 99 -5.071 -6.280 -8.034 786 H PHE 100 H PHE 100 -4.467 -2.212 -5.159 787 HA PHE 100 HA PHE 100 -7.244 -1.480 -5.749 788 HB2 PHE 100 1HB PHE 100 -6.797 0.687 -4.699 789 HB3 PHE 100 2HB PHE 100 -6.240 -0.526 -3.564 790 HD1 PHE 100 2HD PHE 100 -3.855 -0.863 -3.172 791 HD2 PHE 100 1HD PHE 100 -5.222 2.112 -5.871 792 HE1 PHE 100 2HE PHE 100 -1.585 0.207 -3.142 793 HE2 PHE 100 1HE PHE 100 -2.952 3.182 -5.841 794 HZ PHE 100 HZ PHE 100 -1.161 2.217 -4.477 795 H LYS 101 H LYS 101 -7.505 0.119 -7.454 796 HA LYS 101 HA LYS 101 -5.174 0.982 -8.877 797 HB2 LYS 101 1HB LYS 101 -5.241 -0.336 -10.733 798 HB3 LYS 101 2HB LYS 101 -5.785 -1.508 -9.549 799 HG2 LYS 101 1HG LYS 101 -8.154 -1.027 -10.119 800 HG3 LYS 101 2HG LYS 101 -7.651 0.216 -11.248 801 HD2 LYS 101 1HD LYS 101 -6.407 -1.516 -12.578 802 HD3 LYS 101 2HD LYS 101 -6.953 -2.752 -11.462 803 HE2 LYS 101 1HE LYS 101 -8.844 -2.975 -12.694 804 HE3 LYS 101 2HE LYS 101 -9.308 -1.352 -12.223 805 HZ1 LYS 101 2HZ LYS 101 -7.348 -1.357 -14.324 806 HZ3 LYS 101 1HZ LYS 101 -8.780 -0.583 -14.264 807 H CYS 102 H CYS 102 -5.728 2.560 -10.556 808 HA CYS 102 HA CYS 102 -8.214 3.865 -9.864 809 HB2 CYS 102 1HB CYS 102 -6.311 5.307 -9.851 810 HB3 CYS 102 2HB CYS 102 -5.775 4.751 -11.424 811 HG CYS 102 HG CYS 102 -7.136 7.275 -10.971 812 H LEU 103 H LEU 103 -10.023 3.724 -11.163 813 HA LEU 103 HA LEU 103 -9.795 2.190 -13.593 814 HB2 LEU 103 1HB LEU 103 -12.261 3.445 -12.396 815 HB3 LEU 103 2HB LEU 103 -12.176 2.141 -13.564 816 HG LEU 103 HG LEU 103 -10.882 1.722 -10.899 817 HD11 LEU 103 1HD1 LEU 103 -12.802 1.409 -9.689 818 HD12 LEU 103 2HD1 LEU 103 -13.285 2.784 -10.711 819 HD13 LEU 103 3HD1 LEU 103 -13.807 1.136 -11.133 820 HD21 LEU 103 3HD2 LEU 103 -10.695 0.036 -12.682 821 HD22 LEU 103 1HD2 LEU 103 -11.570 -0.579 -11.260 822 HD23 LEU 103 2HD2 LEU 103 -12.469 -0.107 -12.722 Start of MODEL 8 1 H1 MET 1 1H MET 1 -13.681 12.134 13.537 2 HA MET 1 HA MET 1 -16.380 11.147 13.727 3 HB2 MET 1 1HB MET 1 -14.783 12.922 11.862 4 HB3 MET 1 2HB MET 1 -16.207 12.142 11.202 5 HG2 MET 1 1HG MET 1 -17.599 13.113 13.039 6 HG3 MET 1 2HG MET 1 -16.178 13.879 13.719 7 HE1 MET 1 3HE MET 1 -17.531 15.741 13.813 8 HE2 MET 1 1HE MET 1 -17.189 17.066 12.675 9 HE3 MET 1 2HE MET 1 -18.707 16.145 12.540 10 H GLN 2 H GLN 2 -13.632 10.864 11.350 11 HA GLN 2 HA GLN 2 -13.879 8.080 11.248 12 HB2 GLN 2 1HB GLN 2 -15.888 9.206 9.799 13 HB3 GLN 2 2HB GLN 2 -14.635 9.199 8.574 14 HG2 GLN 2 1HG GLN 2 -14.240 6.717 9.175 15 HG3 GLN 2 2HG GLN 2 -15.712 6.804 10.123 16 HE21 GLN 2 2HE2 GLN 2 -15.752 6.762 6.008 17 HE22 GLN 2 1HE2 GLN 2 -14.304 6.987 6.932 18 HA PRO 3 HA PRO 3 -9.899 9.293 9.824 19 HB2 PRO 3 2HB PRO 3 -8.828 8.174 11.528 20 HB3 PRO 3 1HB PRO 3 -8.631 6.922 10.317 21 HG2 PRO 3 1HG PRO 3 -10.274 5.609 11.263 22 HG3 PRO 3 2HG PRO 3 -10.144 6.657 12.662 23 HD2 PRO 3 1HD PRO 3 -12.403 6.401 10.912 24 HD3 PRO 3 2HD PRO 3 -12.229 7.531 12.240 25 H ASN 4 H ASN 4 -8.143 8.362 8.292 26 HA ASN 4 HA ASN 4 -9.406 8.081 5.874 27 HB2 ASN 4 1HB ASN 4 -6.944 8.718 6.394 28 HB3 ASN 4 2HB ASN 4 -6.620 7.001 6.529 29 HD21 ASN 4 2HD2 ASN 4 -7.082 8.863 2.919 30 HD22 ASN 4 1HD2 ASN 4 -7.276 9.660 4.444 31 H ASP 5 H ASP 5 -8.796 6.024 4.355 32 HA ASP 5 HA ASP 5 -9.867 3.759 5.769 33 HB2 ASP 5 1HB ASP 5 -9.158 3.927 2.813 34 HB3 ASP 5 2HB ASP 5 -10.289 2.825 3.573 35 HD2 ASP 5 HD ASP 5 -11.588 5.003 5.083 36 H ILE 6 H ILE 6 -6.992 4.847 3.878 37 HA ILE 6 HA ILE 6 -5.314 2.990 5.213 38 HB ILE 6 HB ILE 6 -6.122 1.338 3.779 39 HG12 ILE 6 1HG1 ILE 6 -3.622 2.429 2.455 40 HG13 ILE 6 2HG1 ILE 6 -3.648 1.486 3.932 41 HG21 ILE 6 1HG2 ILE 6 -6.298 1.620 1.316 42 HG22 ILE 6 2HG2 ILE 6 -7.408 2.662 2.237 43 HG23 ILE 6 3HG2 ILE 6 -5.930 3.349 1.523 44 HD11 ILE 6 3HD1 ILE 6 -3.466 -0.331 2.572 45 HD12 ILE 6 1HD1 ILE 6 -5.192 -0.075 2.220 46 HD13 ILE 6 2HD1 ILE 6 -3.952 0.596 1.133 47 H THR 7 H THR 7 -3.066 3.476 4.856 48 HA THR 7 HA THR 7 -2.697 6.011 3.397 49 HB THR 7 HB THR 7 -0.724 6.120 5.190 50 HG1 THR 7 1HG THR 7 -1.120 3.976 6.021 51 HG21 THR 7 3HG2 THR 7 -2.787 7.620 5.203 52 HG22 THR 7 1HG2 THR 7 -3.622 6.364 6.148 53 HG23 THR 7 2HG2 THR 7 -2.203 7.195 6.829 54 H PHE 8 H PHE 8 -0.483 6.365 2.523 55 HA PHE 8 HA PHE 8 1.015 3.943 2.044 56 HB2 PHE 8 1HB PHE 8 -0.001 5.686 -0.264 57 HB3 PHE 8 2HB PHE 8 0.743 4.105 -0.388 58 HD1 PHE 8 2HD PHE 8 -2.274 5.751 1.064 59 HD2 PHE 8 1HD PHE 8 -0.613 2.251 -0.666 60 HE1 PHE 8 2HE PHE 8 -4.546 4.684 1.042 61 HE2 PHE 8 1HE PHE 8 -2.885 1.184 -0.688 62 HZ PHE 8 HZ PHE 8 -4.824 2.413 0.166 63 H PHE 9 H PHE 9 3.182 4.396 1.946 64 HA PHE 9 HA PHE 9 4.164 6.853 2.592 65 HB2 PHE 9 1HB PHE 9 6.276 5.788 1.336 66 HB3 PHE 9 2HB PHE 9 5.644 4.991 2.763 67 HD1 PHE 9 2HD PHE 9 5.853 4.855 -0.898 68 HD2 PHE 9 1HD PHE 9 4.522 2.864 2.605 69 HE1 PHE 9 2HE PHE 9 5.516 2.750 -2.223 70 HE2 PHE 9 1HE PHE 9 4.185 0.759 1.281 71 HZ PHE 9 HZ PHE 9 4.686 0.727 -1.117 72 H GLN 10 H GLN 10 6.003 7.934 1.042 73 HA GLN 10 HA GLN 10 4.520 9.286 -0.883 74 HB2 GLN 10 1HB GLN 10 6.732 10.320 -1.485 75 HB3 GLN 10 2HB GLN 10 6.381 10.371 0.231 76 HG2 GLN 10 1HG GLN 10 8.491 9.494 0.439 77 HG3 GLN 10 2HG GLN 10 7.687 7.972 0.114 78 HE21 GLN 10 2HE2 GLN 10 10.607 8.220 -2.137 79 HE22 GLN 10 1HE2 GLN 10 10.297 8.181 -0.433 80 H ARG 11 H ARG 11 6.988 6.657 -1.089 81 HA ARG 11 HA ARG 11 7.361 6.616 -3.758 82 HB2 ARG 11 1HB ARG 11 7.007 4.041 -2.171 83 HB3 ARG 11 2HB ARG 11 8.134 4.354 -3.476 84 HG2 ARG 11 1HG ARG 11 9.025 6.256 -1.801 85 HG3 ARG 11 2HG ARG 11 8.277 5.232 -0.591 86 HD2 ARG 11 1HD ARG 11 10.290 4.127 -0.623 87 HD3 ARG 11 2HD ARG 11 9.628 3.330 -2.036 88 HE ARG 11 HE ARG 11 11.598 5.561 -2.044 89 HH11 ARG 11 2HH2 ARG 11 9.652 3.248 -3.892 90 HH12 ARG 11 1HH2 ARG 11 10.552 3.471 -5.355 91 HH21 ARG 11 1HH ARG 11 12.391 5.008 -5.380 92 H PHE 12 H PHE 12 4.524 5.618 -1.880 93 HA PHE 12 HA PHE 12 3.367 4.083 -3.995 94 HB2 PHE 12 1HB PHE 12 2.882 4.913 -1.185 95 HB3 PHE 12 2HB PHE 12 1.399 4.951 -2.119 96 HD1 PHE 12 1HD PHE 12 1.997 2.639 -3.976 97 HD2 PHE 12 2HD PHE 12 2.463 3.074 0.219 98 HE1 PHE 12 1HE PHE 12 1.753 0.157 -3.692 99 HE2 PHE 12 2HE PHE 12 2.220 0.592 0.504 100 HZ PHE 12 HZ PHE 12 1.868 -0.837 -1.455 101 H GLN 13 H GLN 13 3.198 7.448 -2.779 102 HA GLN 13 HA GLN 13 0.889 8.156 -4.139 103 HB2 GLN 13 1HB GLN 13 3.002 9.470 -2.617 104 HB3 GLN 13 2HB GLN 13 2.549 10.455 -3.993 105 HG2 GLN 13 1HG GLN 13 0.186 9.307 -2.666 106 HG3 GLN 13 2HG GLN 13 1.157 10.245 -1.548 107 HE21 GLN 13 2HE2 GLN 13 0.878 13.342 -3.373 108 HE22 GLN 13 1HE2 GLN 13 2.021 12.356 -2.523 109 H ASP 14 H ASP 14 4.372 8.212 -5.074 110 HA ASP 14 HA ASP 14 3.908 9.515 -7.506 111 HB2 ASP 14 1HB ASP 14 6.140 9.623 -6.800 112 HB3 ASP 14 2HB ASP 14 6.156 7.962 -6.241 113 HD2 ASP 14 HD ASP 14 5.745 8.883 -9.893 114 H ASP 15 H ASP 15 4.628 6.059 -6.588 115 HA ASP 15 HA ASP 15 4.533 4.942 -9.038 116 HB2 ASP 15 1HB ASP 15 4.262 4.077 -6.277 117 HB3 ASP 15 2HB ASP 15 3.132 3.171 -7.263 118 HD2 ASP 15 HD ASP 15 6.474 4.030 -7.094 119 H ILE 16 H ILE 16 1.798 5.442 -6.682 120 HA ILE 16 HA ILE 16 -0.218 4.352 -8.219 121 HB ILE 16 HB ILE 16 -0.162 6.480 -6.094 122 HG12 ILE 16 1HG1 ILE 16 -1.232 3.646 -6.029 123 HG13 ILE 16 2HG1 ILE 16 0.401 4.077 -5.563 124 HG21 ILE 16 1HG2 ILE 16 -2.072 7.015 -7.474 125 HG22 ILE 16 2HG2 ILE 16 -2.602 5.316 -7.464 126 HG23 ILE 16 3HG2 ILE 16 -2.623 6.264 -5.957 127 HD11 ILE 16 3HD1 ILE 16 -0.612 4.252 -3.490 128 HD12 ILE 16 1HD1 ILE 16 -0.909 5.908 -4.070 129 HD13 ILE 16 2HD1 ILE 16 -2.194 4.681 -4.183 130 H LEU 17 H LEU 17 1.123 7.705 -8.162 131 HA LEU 17 HA LEU 17 -0.716 8.812 -9.923 132 HB2 LEU 17 1HB LEU 17 0.435 10.613 -9.415 133 HB3 LEU 17 2HB LEU 17 1.555 9.611 -8.514 134 HG LEU 17 HG LEU 17 2.707 9.283 -10.861 135 HD11 LEU 17 1HD1 LEU 17 1.628 12.046 -11.339 136 HD12 LEU 17 2HD1 LEU 17 2.403 10.915 -12.474 137 HD13 LEU 17 3HD1 LEU 17 0.739 10.616 -11.916 138 HD21 LEU 17 3HD2 LEU 17 4.231 10.288 -9.588 139 HD22 LEU 17 1HD2 LEU 17 3.642 11.829 -10.257 140 HD23 LEU 17 2HD2 LEU 17 2.997 11.224 -8.712 141 H ALA 18 H ALA 18 1.951 6.571 -10.424 142 HA ALA 18 HA ALA 18 2.005 7.100 -13.274 143 HB1 ALA 18 3HB ALA 18 3.532 5.295 -11.374 144 HB2 ALA 18 1HB ALA 18 3.702 5.166 -13.141 145 HB3 ALA 18 2HB ALA 18 4.136 6.681 -12.314 146 H GLY 19 H GLY 19 -0.366 5.934 -11.557 147 HA2 GLY 19 1HA GLY 19 -2.037 4.480 -11.936 148 HA3 GLY 19 2HA GLY 19 -1.406 4.262 -13.556 149 H ARG 20 H ARG 20 -1.087 2.127 -13.995 150 HA ARG 20 HA ARG 20 -0.744 0.001 -13.675 151 HB2 ARG 20 1HB ARG 20 1.661 1.436 -13.133 152 HB3 ARG 20 2HB ARG 20 1.609 0.158 -11.935 153 HG2 ARG 20 1HG ARG 20 2.318 -1.301 -13.516 154 HG3 ARG 20 2HG ARG 20 0.799 -1.078 -14.362 155 HD2 ARG 20 1HD ARG 20 1.838 1.003 -15.461 156 HD3 ARG 20 2HD ARG 20 3.371 0.517 -14.765 157 HE ARG 20 HE ARG 20 2.526 -1.784 -16.042 158 HH11 ARG 20 2HH2 ARG 20 2.929 1.570 -17.110 159 HH12 ARG 20 1HH2 ARG 20 3.278 1.137 -18.750 160 HH21 ARG 20 1HH ARG 20 3.306 -1.178 -19.371 161 H LYS 21 H LYS 21 -2.458 -0.770 -12.368 162 HA LYS 21 HA LYS 21 -3.023 -0.305 -9.806 163 HB2 LYS 21 1HB LYS 21 -4.216 -2.356 -9.774 164 HB3 LYS 21 2HB LYS 21 -4.263 -1.772 -11.425 165 HG2 LYS 21 1HG LYS 21 -1.915 -3.496 -10.858 166 HG3 LYS 21 2HG LYS 21 -3.447 -4.317 -10.636 167 HD2 LYS 21 1HD LYS 21 -4.144 -3.853 -12.903 168 HD3 LYS 21 2HD LYS 21 -2.862 -2.681 -13.137 169 HE2 LYS 21 1HE LYS 21 -1.167 -4.367 -13.233 170 HE3 LYS 21 2HE LYS 21 -2.195 -5.573 -12.486 171 HZ1 LYS 21 2HZ LYS 21 -2.938 -4.404 -15.096 172 HZ3 LYS 21 1HZ LYS 21 -3.420 -5.823 -14.459 173 H THR 22 H THR 22 -2.477 -1.137 -7.726 174 HA THR 22 HA THR 22 -0.044 -2.756 -7.607 175 HB THR 22 HB THR 22 -0.456 -0.026 -6.277 176 HG1 THR 22 1HG THR 22 1.519 0.291 -7.680 177 HG21 THR 22 3HG2 THR 22 1.751 -2.132 -6.070 178 HG22 THR 22 1HG2 THR 22 2.031 -0.414 -5.694 179 HG23 THR 22 2HG2 THR 22 0.865 -1.357 -4.735 180 H ILE 23 H ILE 23 0.180 -4.011 -5.728 181 HA ILE 23 HA ILE 23 -2.358 -4.322 -4.327 182 HB ILE 23 HB ILE 23 -0.157 -6.222 -3.852 183 HG12 ILE 23 1HG1 ILE 23 -1.228 -5.686 -6.609 184 HG13 ILE 23 2HG1 ILE 23 0.419 -5.998 -6.099 185 HG21 ILE 23 1HG2 ILE 23 -2.932 -6.860 -4.809 186 HG22 ILE 23 2HG2 ILE 23 -1.859 -7.784 -3.730 187 HG23 ILE 23 3HG2 ILE 23 -2.656 -6.305 -3.141 188 HD11 ILE 23 3HD1 ILE 23 -0.432 -7.988 -7.221 189 HD12 ILE 23 1HD1 ILE 23 -0.262 -8.356 -5.488 190 HD13 ILE 23 2HD1 ILE 23 -1.870 -8.015 -6.171 191 H THR 24 H THR 24 -2.243 -4.798 -1.927 192 HA THR 24 HA THR 24 0.043 -3.579 -0.602 193 HB THR 24 HB THR 24 -1.484 -2.014 0.638 194 HG1 THR 24 1HG THR 24 -3.501 -3.047 0.405 195 HG21 THR 24 3HG2 THR 24 -2.097 -1.641 -2.319 196 HG22 THR 24 1HG2 THR 24 -1.781 -0.397 -1.086 197 HG23 THR 24 2HG2 THR 24 -0.443 -1.393 -1.708 198 H ILE 25 H ILE 25 -0.308 -3.728 1.889 199 HA ILE 25 HA ILE 25 -1.715 -6.249 2.426 200 HB ILE 25 HB ILE 25 0.960 -5.414 3.551 201 HG12 ILE 25 1HG1 ILE 25 1.499 -7.651 2.147 202 HG13 ILE 25 2HG1 ILE 25 0.215 -7.003 1.146 203 HG21 ILE 25 1HG2 ILE 25 -0.977 -7.232 4.508 204 HG22 ILE 25 2HG2 ILE 25 0.338 -8.206 3.809 205 HG23 ILE 25 3HG2 ILE 25 0.695 -7.004 5.072 206 HD11 ILE 25 3HD1 ILE 25 2.925 -5.843 1.754 207 HD12 ILE 25 1HD1 ILE 25 2.038 -5.902 0.212 208 HD13 ILE 25 2HD1 ILE 25 1.581 -4.715 1.457 209 H ARG 26 H ARG 26 -2.865 -6.358 4.367 210 HA ARG 26 HA ARG 26 -2.695 -3.984 6.021 211 HB2 ARG 26 1HB ARG 26 -5.445 -5.016 5.847 212 HB3 ARG 26 2HB ARG 26 -4.871 -3.370 5.668 213 HG2 ARG 26 1HG ARG 26 -4.581 -5.466 3.470 214 HG3 ARG 26 2HG ARG 26 -5.972 -4.407 3.591 215 HD2 ARG 26 1HD ARG 26 -3.346 -3.830 2.489 216 HD3 ARG 26 2HD ARG 26 -4.799 -2.853 2.419 217 HE ARG 26 HE ARG 26 -2.606 -2.601 4.370 218 HH11 ARG 26 2HH2 ARG 26 -5.954 -1.737 3.595 219 HH12 ARG 26 1HH2 ARG 26 -5.975 -0.365 4.651 220 HH21 ARG 26 1HH ARG 26 -4.011 0.174 5.916 221 H ASP 27 H ASP 27 -4.159 -4.433 8.140 222 HA ASP 27 HA ASP 27 -3.422 -7.121 8.960 223 HB2 ASP 27 1HB ASP 27 -2.427 -5.419 10.359 224 HB3 ASP 27 2HB ASP 27 -3.933 -4.530 10.474 225 HD2 ASP 27 HD ASP 27 -2.795 -6.295 13.323 226 H GLU 28 H GLU 28 -5.080 -8.570 9.542 227 HA GLU 28 HA GLU 28 -7.650 -8.111 8.813 228 HB2 GLU 28 1HB GLU 28 -6.941 -10.362 9.143 229 HB3 GLU 28 2HB GLU 28 -6.407 -10.053 10.783 230 HG2 GLU 28 1HG GLU 28 -8.524 -11.275 10.864 231 HG3 GLU 28 2HG GLU 28 -8.787 -9.652 11.472 232 HE2 GLU 28 HE GLU 28 -9.712 -8.332 8.654 233 H SER 29 H SER 29 -6.054 -7.520 11.976 234 HA SER 29 HA SER 29 -8.393 -7.022 13.389 235 HB2 SER 29 1HB SER 29 -6.982 -6.313 15.136 236 HB3 SER 29 2HB SER 29 -5.964 -7.418 14.234 237 HG SER 29 HG SER 29 -4.587 -5.797 14.061 238 H GLU 30 H GLU 30 -6.662 -5.205 10.964 239 HA GLU 30 HA GLU 30 -8.202 -2.841 11.708 240 HB2 GLU 30 1HB GLU 30 -5.437 -3.160 10.541 241 HB3 GLU 30 2HB GLU 30 -6.358 -1.724 10.140 242 HG2 GLU 30 1HG GLU 30 -6.676 -1.242 12.572 243 HG3 GLU 30 2HG GLU 30 -5.773 -2.687 12.981 244 HE2 GLU 30 HE GLU 30 -3.681 -2.673 11.580 245 H SER 31 H SER 31 -8.760 -5.367 9.968 246 HA SER 31 HA SER 31 -8.698 -5.017 7.366 247 HB2 SER 31 1HB SER 31 -10.123 -6.764 7.462 248 HB3 SER 31 2HB SER 31 -10.316 -6.471 9.179 249 HG SER 31 HG SER 31 -12.272 -6.407 7.551 250 H HIS 32 H HIS 32 -8.986 -3.200 6.124 251 HA HIS 32 HA HIS 32 -10.747 -1.137 7.025 252 HB2 HIS 32 1HB HIS 32 -9.928 0.103 5.112 253 HB3 HIS 32 2HB HIS 32 -8.594 -0.617 5.992 254 HD1 HIS 32 1HD HIS 32 -7.582 -0.009 3.412 255 HD2 HIS 32 2HD HIS 32 -9.997 -3.406 3.894 256 HE1 HIS 32 1HE HIS 32 -7.107 -1.515 1.407 257 H PHE 33 H PHE 33 -11.195 -0.714 3.878 258 HA PHE 33 HA PHE 33 -13.858 -1.657 3.950 259 HB2 PHE 33 1HB PHE 33 -11.932 -0.415 1.924 260 HB3 PHE 33 2HB PHE 33 -13.523 -0.924 1.395 261 HD1 PHE 33 2HD PHE 33 -12.114 0.985 4.290 262 HD2 PHE 33 1HD PHE 33 -15.067 0.767 1.251 263 HE1 PHE 33 2HE PHE 33 -13.069 3.175 5.061 264 HE2 PHE 33 1HE PHE 33 -16.022 2.957 2.022 265 HZ PHE 33 HZ PHE 33 -15.012 4.134 3.918 266 H LYS 34 H LYS 34 -14.448 -2.627 1.434 267 HA LYS 34 HA LYS 34 -12.887 -5.115 1.331 268 HB2 LYS 34 1HB LYS 34 -14.942 -6.306 0.802 269 HB3 LYS 34 2HB LYS 34 -15.077 -5.498 2.350 270 HG2 LYS 34 1HG LYS 34 -15.948 -3.723 0.189 271 HG3 LYS 34 2HG LYS 34 -16.825 -5.240 0.129 272 HD2 LYS 34 1HD LYS 34 -16.540 -4.186 2.882 273 HD3 LYS 34 2HD LYS 34 -17.400 -3.089 1.819 274 HE2 LYS 34 1HE LYS 34 -19.243 -4.364 2.234 275 HE3 LYS 34 2HE LYS 34 -18.534 -5.544 1.149 276 HZ1 LYS 34 2HZ LYS 34 -18.906 -5.766 3.940 277 HZ3 LYS 34 1HZ LYS 34 -17.315 -5.911 3.626 278 H THR 35 H THR 35 -13.922 -6.210 -0.992 279 HA THR 35 HA THR 35 -12.655 -4.542 -2.948 280 HB THR 35 HB THR 35 -14.199 -7.148 -3.350 281 HG1 THR 35 1HG THR 35 -12.250 -8.116 -2.565 282 HG21 THR 35 3HG2 THR 35 -11.528 -6.450 -4.576 283 HG22 THR 35 1HG2 THR 35 -12.842 -7.453 -5.237 284 HG23 THR 35 2HG2 THR 35 -12.980 -5.679 -5.259 285 H GLY 36 H GLY 36 -13.555 -3.616 -4.825 286 HA2 GLY 36 1HA GLY 36 -15.241 -2.848 -6.165 287 HA3 GLY 36 2HA GLY 36 -16.436 -3.601 -5.128 288 H ASP 37 H ASP 37 -14.721 -2.219 -2.789 289 HA ASP 37 HA ASP 37 -16.424 0.082 -2.767 290 HB2 ASP 37 1HB ASP 37 -15.022 -1.573 -0.831 291 HB3 ASP 37 2HB ASP 37 -14.581 0.103 -0.566 292 HD2 ASP 37 HD ASP 37 -17.911 -1.594 -0.813 293 H VAL 38 H VAL 38 -14.860 1.958 -1.329 294 HA VAL 38 HA VAL 38 -12.766 2.573 -3.293 295 HB VAL 38 HB VAL 38 -14.919 4.086 -2.060 296 HG11 VAL 38 1HG1 VAL 38 -13.581 6.197 -1.791 297 HG12 VAL 38 2HG1 VAL 38 -13.270 4.961 -0.548 298 HG13 VAL 38 3HG1 VAL 38 -12.105 5.205 -1.871 299 HG21 VAL 38 3HG2 VAL 38 -14.866 4.156 -4.377 300 HG22 VAL 38 1HG2 VAL 38 -14.096 5.703 -3.951 301 HG23 VAL 38 2HG2 VAL 38 -13.094 4.315 -4.440 302 H LEU 39 H LEU 39 -10.713 3.324 -2.545 303 HA LEU 39 HA LEU 39 -10.275 2.900 0.325 304 HB2 LEU 39 1HB LEU 39 -8.812 1.738 -2.018 305 HB3 LEU 39 2HB LEU 39 -7.954 2.057 -0.523 306 HG LEU 39 HG LEU 39 -10.463 0.372 -0.631 307 HD11 LEU 39 1HD1 LEU 39 -7.641 -0.710 -0.633 308 HD12 LEU 39 2HD1 LEU 39 -9.170 -1.601 -0.820 309 HD13 LEU 39 3HD1 LEU 39 -8.612 -0.512 -2.112 310 HD21 LEU 39 3HD2 LEU 39 -8.256 0.588 1.435 311 HD22 LEU 39 1HD2 LEU 39 -9.893 1.276 1.567 312 HD23 LEU 39 2HD2 LEU 39 -9.670 -0.490 1.517 313 H ARG 40 H ARG 40 -9.947 4.927 1.098 314 HA ARG 40 HA ARG 40 -8.970 6.970 -0.519 315 HB2 ARG 40 1HB ARG 40 -9.771 6.601 2.313 316 HB3 ARG 40 2HB ARG 40 -8.507 7.799 2.118 317 HG2 ARG 40 1HG ARG 40 -9.908 9.292 1.098 318 HG3 ARG 40 2HG ARG 40 -10.635 8.062 0.083 319 HD2 ARG 40 1HD ARG 40 -11.689 7.315 2.489 320 HD3 ARG 40 2HD ARG 40 -11.477 9.027 2.798 321 HE ARG 40 HE ARG 40 -13.408 7.821 0.983 322 HH11 ARG 40 2HH2 ARG 40 -11.495 10.749 1.551 323 HH12 ARG 40 1HH2 ARG 40 -12.578 11.776 0.672 324 HH21 ARG 40 1HH ARG 40 -14.536 10.830 -0.334 325 H VAL 41 H VAL 41 -6.874 7.930 -0.651 326 HA VAL 41 HA VAL 41 -4.766 6.632 0.907 327 HB VAL 41 HB VAL 41 -3.498 6.059 -0.911 328 HG11 VAL 41 1HG1 VAL 41 -5.370 4.563 -0.901 329 HG12 VAL 41 2HG1 VAL 41 -6.380 5.723 -1.795 330 HG13 VAL 41 3HG1 VAL 41 -4.997 4.942 -2.599 331 HG21 VAL 41 3HG2 VAL 41 -5.144 7.933 -2.646 332 HG22 VAL 41 1HG2 VAL 41 -3.514 8.252 -2.006 333 HG23 VAL 41 2HG2 VAL 41 -3.765 6.947 -3.190 334 H GLY 42 H GLY 42 -2.601 7.963 0.453 335 HA2 GLY 42 1HA GLY 42 -2.813 10.669 -0.304 336 HA3 GLY 42 2HA GLY 42 -3.025 10.546 1.431 337 H ARG 43 H ARG 43 -1.197 10.623 2.664 338 HA ARG 43 HA ARG 43 1.201 9.497 1.500 339 HB2 ARG 43 1HB ARG 43 0.706 12.342 2.007 340 HB3 ARG 43 2HB ARG 43 2.058 11.783 2.970 341 HG2 ARG 43 1HG ARG 43 3.121 10.821 0.913 342 HG3 ARG 43 2HG ARG 43 1.771 11.394 -0.048 343 HD2 ARG 43 1HD ARG 43 2.602 13.517 -0.131 344 HD3 ARG 43 2HD ARG 43 2.880 13.560 1.599 345 HE ARG 43 HE ARG 43 4.899 11.901 0.697 346 HH11 ARG 43 2HH2 ARG 43 3.845 15.157 -0.217 347 HH12 ARG 43 1HH2 ARG 43 5.426 15.666 -0.709 348 HH21 ARG 43 1HH ARG 43 7.257 14.129 -0.544 349 H PHE 44 H PHE 44 2.296 8.230 2.998 350 HA PHE 44 HA PHE 44 1.170 7.954 5.589 351 HB2 PHE 44 1HB PHE 44 2.513 6.355 3.840 352 HB3 PHE 44 2HB PHE 44 3.906 6.927 4.738 353 HD1 PHE 44 2HD PHE 44 3.708 6.709 7.358 354 HD2 PHE 44 1HD PHE 44 1.407 4.466 4.587 355 HE1 PHE 44 2HE PHE 44 3.292 4.965 9.115 356 HE2 PHE 44 1HE PHE 44 0.991 2.722 6.343 357 HZ PHE 44 HZ PHE 44 1.939 2.992 8.586 358 H GLU 45 H GLU 45 3.793 9.838 4.175 359 HA GLU 45 HA GLU 45 5.524 10.091 6.213 360 HB2 GLU 45 1HB GLU 45 4.881 11.520 3.825 361 HB3 GLU 45 2HB GLU 45 5.028 12.722 5.091 362 HG2 GLU 45 1HG GLU 45 7.143 10.633 5.169 363 HG3 GLU 45 2HG GLU 45 7.155 11.596 3.705 364 HE2 GLU 45 HE GLU 45 7.958 11.566 6.911 365 H ASP 46 H ASP 46 2.405 11.876 5.770 366 HA ASP 46 HA ASP 46 1.764 11.926 8.396 367 HB2 ASP 46 1HB ASP 46 2.224 14.578 8.637 368 HB3 ASP 46 2HB ASP 46 3.358 13.375 9.218 369 HD2 ASP 46 HD ASP 46 3.983 16.217 7.022 370 H ASP 47 H ASP 47 1.940 13.638 5.258 371 HA ASP 47 HA ASP 47 -0.045 15.399 5.364 372 HB2 ASP 47 1HB ASP 47 1.329 13.933 3.338 373 HB3 ASP 47 2HB ASP 47 -0.373 13.785 2.950 374 HD2 ASP 47 HD ASP 47 -1.325 16.203 3.523 375 H GLY 48 H GLY 48 -0.476 11.946 4.245 376 HA2 GLY 48 1HA GLY 48 -2.224 10.538 4.344 377 HA3 GLY 48 2HA GLY 48 -2.673 11.333 5.839 378 H TYR 49 H TYR 49 -4.511 10.294 3.818 379 HA TYR 49 HA TYR 49 -6.229 10.884 2.518 380 HB2 TYR 49 1HB TYR 49 -7.177 11.588 4.624 381 HB3 TYR 49 2HB TYR 49 -6.010 12.881 4.814 382 HD1 TYR 49 2HD TYR 49 -8.801 11.887 2.504 383 HD2 TYR 49 1HD TYR 49 -6.736 15.063 4.494 384 HE1 TYR 49 2HE TYR 49 -10.496 13.559 1.611 385 HE2 TYR 49 1HE TYR 49 -8.439 16.723 3.594 386 HH TYR 49 HH TYR 49 -11.040 16.396 2.828 387 H PHE 50 H PHE 50 -5.414 11.377 0.469 388 HA PHE 50 HA PHE 50 -5.191 14.246 -0.046 389 HB2 PHE 50 1HB PHE 50 -3.001 12.602 0.140 390 HB3 PHE 50 2HB PHE 50 -3.457 12.233 -1.512 391 HD1 PHE 50 1HD PHE 50 -4.125 14.574 -2.837 392 HD2 PHE 50 2HD PHE 50 -1.317 14.150 0.316 393 HE1 PHE 50 1HE PHE 50 -2.926 16.632 -3.628 394 HE2 PHE 50 2HE PHE 50 -0.118 16.208 -0.475 395 HZ PHE 50 HZ PHE 50 -0.937 17.425 -2.437 396 H CYS 51 H CYS 51 -5.554 10.895 -1.354 397 HA CYS 51 HA CYS 51 -7.474 11.984 -3.244 398 HB2 CYS 51 1HB CYS 51 -5.402 10.013 -4.217 399 HB3 CYS 51 2HB CYS 51 -6.533 10.965 -5.158 400 HG CYS 51 HG CYS 51 -5.288 12.990 -5.364 401 H THR 52 H THR 52 -8.437 9.815 -4.456 402 HA THR 52 HA THR 52 -8.668 7.704 -2.425 403 HB THR 52 HB THR 52 -11.023 8.863 -3.989 404 HG1 THR 52 1HG THR 52 -11.132 10.351 -2.316 405 HG21 THR 52 3HG2 THR 52 -12.035 7.982 -1.649 406 HG22 THR 52 1HG2 THR 52 -11.829 6.879 -3.031 407 HG23 THR 52 2HG2 THR 52 -10.620 6.904 -1.725 408 H ILE 53 H ILE 53 -9.307 5.614 -3.252 409 HA ILE 53 HA ILE 53 -9.158 5.361 -6.146 410 HB ILE 53 HB ILE 53 -7.300 4.064 -6.244 411 HG12 ILE 53 1HG1 ILE 53 -7.740 3.351 -3.334 412 HG13 ILE 53 2HG1 ILE 53 -7.971 2.320 -4.732 413 HG21 ILE 53 1HG2 ILE 53 -5.522 5.177 -5.190 414 HG22 ILE 53 2HG2 ILE 53 -6.805 6.401 -5.340 415 HG23 ILE 53 3HG2 ILE 53 -6.511 5.608 -3.774 416 HD11 ILE 53 3HD1 ILE 53 -5.587 2.301 -5.220 417 HD12 ILE 53 1HD1 ILE 53 -5.280 3.552 -3.991 418 HD13 ILE 53 2HD1 ILE 53 -5.796 1.923 -3.493 419 H GLU 54 H GLU 54 -9.544 2.892 -6.703 420 HA GLU 54 HA GLU 54 -11.579 1.977 -4.822 421 HB2 GLU 54 1HB GLU 54 -11.886 2.730 -7.531 422 HB3 GLU 54 2HB GLU 54 -11.932 0.979 -7.551 423 HG2 GLU 54 1HG GLU 54 -13.881 0.865 -6.288 424 HG3 GLU 54 2HG GLU 54 -13.512 2.318 -5.380 425 HE2 GLU 54 HE GLU 54 -15.519 3.946 -6.438 426 H VAL 55 H VAL 55 -11.885 -0.400 -4.696 427 HA VAL 55 HA VAL 55 -9.336 -1.722 -4.836 428 HB VAL 55 HB VAL 55 -11.782 -3.222 -4.130 429 HG11 VAL 55 1HG1 VAL 55 -9.158 -2.766 -2.670 430 HG12 VAL 55 2HG1 VAL 55 -10.395 -3.985 -2.281 431 HG13 VAL 55 3HG1 VAL 55 -9.486 -4.096 -3.807 432 HG21 VAL 55 3HG2 VAL 55 -11.591 -1.973 -1.793 433 HG22 VAL 55 1HG2 VAL 55 -11.060 -0.626 -2.827 434 HG23 VAL 55 2HG2 VAL 55 -12.654 -1.372 -3.088 435 H THR 56 H THR 56 -9.097 -3.898 -5.863 436 HA THR 56 HA THR 56 -10.876 -4.242 -8.172 437 HB THR 56 HB THR 56 -8.770 -2.930 -8.777 438 HG1 THR 56 1HG THR 56 -10.022 -4.622 -10.106 439 HG21 THR 56 3HG2 THR 56 -7.456 -5.620 -8.120 440 HG22 THR 56 1HG2 THR 56 -6.668 -4.257 -8.949 441 HG23 THR 56 2HG2 THR 56 -7.159 -4.099 -7.245 442 H ALA 57 H ALA 57 -8.332 -5.613 -6.020 443 HA ALA 57 HA ALA 57 -9.801 -8.104 -6.046 444 HB1 ALA 57 3HB ALA 57 -7.087 -8.860 -6.406 445 HB2 ALA 57 1HB ALA 57 -8.453 -9.140 -7.512 446 HB3 ALA 57 2HB ALA 57 -7.457 -7.675 -7.682 447 H THR 58 H THR 58 -8.703 -9.675 -4.412 448 HA THR 58 HA THR 58 -7.006 -8.416 -2.463 449 HB THR 58 HB THR 58 -9.994 -8.792 -2.047 450 HG1 THR 58 1HG THR 58 -9.621 -6.616 -1.917 451 HG21 THR 58 3HG2 THR 58 -9.146 -8.183 0.450 452 HG22 THR 58 1HG2 THR 58 -9.405 -9.870 -0.055 453 HG23 THR 58 2HG2 THR 58 -7.763 -9.184 -0.054 454 H SER 59 H SER 59 -5.953 -9.892 -1.144 455 HA SER 59 HA SER 59 -6.886 -12.580 -1.097 456 HB2 SER 59 1HB SER 59 -4.209 -12.941 -1.955 457 HB3 SER 59 2HB SER 59 -5.668 -13.392 -2.814 458 HG SER 59 HG SER 59 -4.754 -12.021 -4.252 459 H THR 60 H THR 60 -5.244 -13.981 0.233 460 HA THR 60 HA THR 60 -4.093 -12.230 2.295 461 HB THR 60 HB THR 60 -4.274 -14.636 3.500 462 HG1 THR 60 1HG THR 60 -5.019 -15.745 1.607 463 HG21 THR 60 3HG2 THR 60 -5.974 -12.334 3.374 464 HG22 THR 60 1HG2 THR 60 -7.033 -13.752 3.185 465 HG23 THR 60 2HG2 THR 60 -5.983 -13.610 4.616 466 H VAL 61 H VAL 61 -1.976 -11.877 2.096 467 HA VAL 61 HA VAL 61 -0.241 -14.150 1.881 468 HB VAL 61 HB VAL 61 0.463 -12.161 -0.153 469 HG11 VAL 61 1HG1 VAL 61 1.349 -13.989 -1.265 470 HG12 VAL 61 2HG1 VAL 61 1.443 -14.527 0.429 471 HG13 VAL 61 3HG1 VAL 61 0.129 -15.112 -0.619 472 HG21 VAL 61 3HG2 VAL 61 -1.926 -13.959 -0.683 473 HG22 VAL 61 1HG2 VAL 61 -2.016 -12.202 -0.414 474 HG23 VAL 61 2HG2 VAL 61 -1.145 -12.843 -1.828 475 H THR 62 H THR 62 2.159 -13.267 1.886 476 HA THR 62 HA THR 62 2.316 -11.505 4.112 477 HB THR 62 HB THR 62 4.666 -12.272 2.360 478 HG1 THR 62 1HG THR 62 4.374 -14.400 3.603 479 HG21 THR 62 3HG2 THR 62 5.837 -12.129 4.333 480 HG22 THR 62 1HG2 THR 62 4.415 -11.260 4.959 481 HG23 THR 62 2HG2 THR 62 4.577 -13.012 5.228 482 H LEU 63 H LEU 63 4.782 -10.118 3.224 483 HA LEU 63 HA LEU 63 3.400 -7.961 1.817 484 HB2 LEU 63 1HB LEU 63 5.373 -6.621 2.655 485 HB3 LEU 63 2HB LEU 63 4.205 -7.172 3.839 486 HG LEU 63 HG LEU 63 6.227 -9.168 3.680 487 HD11 LEU 63 1HD1 LEU 63 7.709 -6.794 4.548 488 HD12 LEU 63 2HD1 LEU 63 8.225 -8.177 3.552 489 HD13 LEU 63 3HD1 LEU 63 7.353 -6.817 2.804 490 HD21 LEU 63 3HD2 LEU 63 6.432 -7.436 5.998 491 HD22 LEU 63 1HD2 LEU 63 4.735 -7.805 5.606 492 HD23 LEU 63 2HD2 LEU 63 5.893 -9.129 5.877 493 H ASP 64 H ASP 64 6.840 -9.113 1.978 494 HA ASP 64 HA ASP 64 7.489 -8.188 -0.502 495 HB2 ASP 64 1HB ASP 64 8.788 -9.511 1.547 496 HB3 ASP 64 2HB ASP 64 8.776 -10.755 0.313 497 HD2 ASP 64 HD ASP 64 11.211 -9.347 1.177 498 H THR 65 H THR 65 5.308 -10.674 0.348 499 HA THR 65 HA THR 65 5.844 -12.519 -1.762 500 HB THR 65 HB THR 65 3.392 -13.194 -0.993 501 HG1 THR 65 1HG THR 65 3.004 -11.120 0.049 502 HG21 THR 65 3HG2 THR 65 4.279 -14.087 1.206 503 HG22 THR 65 1HG2 THR 65 5.340 -14.469 -0.171 504 HG23 THR 65 2HG2 THR 65 5.767 -13.146 0.942 505 H LEU 66 H LEU 66 4.791 -9.341 -1.839 506 HA LEU 66 HA LEU 66 4.102 -9.500 -4.540 507 HB2 LEU 66 1HB LEU 66 1.704 -8.833 -4.344 508 HB3 LEU 66 2HB LEU 66 2.065 -10.510 -3.988 509 HG LEU 66 HG LEU 66 2.157 -9.565 -1.484 510 HD11 LEU 66 1HD1 LEU 66 0.783 -7.758 -1.018 511 HD12 LEU 66 2HD1 LEU 66 1.636 -7.230 -2.489 512 HD13 LEU 66 3HD1 LEU 66 -0.035 -7.835 -2.598 513 HD21 LEU 66 3HD2 LEU 66 0.777 -11.407 -2.122 514 HD22 LEU 66 1HD2 LEU 66 -0.251 -10.225 -1.278 515 HD23 LEU 66 2HD2 LEU 66 -0.310 -10.349 -3.053 516 H THR 67 H THR 67 3.813 -7.814 -1.385 517 HA THR 67 HA THR 67 3.384 -5.252 -2.157 518 HB THR 67 HB THR 67 3.926 -6.478 0.173 519 HG1 THR 67 1HG THR 67 3.126 -4.268 -0.201 520 HG21 THR 67 3HG2 THR 67 6.321 -4.781 0.273 521 HG22 THR 67 1HG2 THR 67 6.115 -6.455 0.842 522 HG23 THR 67 2HG2 THR 67 6.548 -6.139 -0.855 523 H GLU 68 H GLU 68 4.752 -3.391 -2.566 524 HA GLU 68 HA GLU 68 6.331 -3.720 -4.728 525 HB2 GLU 68 1HB GLU 68 5.906 -1.574 -2.709 526 HB3 GLU 68 2HB GLU 68 7.401 -1.438 -3.612 527 HG2 GLU 68 1HG GLU 68 5.245 -2.142 -5.435 528 HG3 GLU 68 2HG GLU 68 4.763 -0.752 -4.483 529 HE2 GLU 68 HE GLU 68 6.695 1.450 -5.556 530 H LYS 69 H LYS 69 7.102 -4.371 -1.377 531 HA LYS 69 HA LYS 69 9.783 -3.965 -1.228 532 HB2 LYS 69 1HB LYS 69 8.247 -4.781 0.576 533 HB3 LYS 69 2HB LYS 69 8.299 -6.377 -0.147 534 HG2 LYS 69 1HG LYS 69 10.852 -6.287 0.059 535 HG3 LYS 69 2HG LYS 69 10.662 -4.807 0.978 536 HD2 LYS 69 1HD LYS 69 9.438 -5.938 2.735 537 HD3 LYS 69 2HD LYS 69 9.226 -7.378 1.760 538 HE2 LYS 69 1HE LYS 69 11.966 -7.199 1.745 539 HE3 LYS 69 2HE LYS 69 11.625 -6.462 3.298 540 HZ1 LYS 69 2HZ LYS 69 10.339 -8.444 3.898 541 HZ3 LYS 69 1HZ LYS 69 11.852 -8.882 3.483 542 H HIS 70 H HIS 70 8.005 -6.378 -3.131 543 HA HIS 70 HA HIS 70 10.319 -7.947 -3.660 544 HB2 HIS 70 1HB HIS 70 8.274 -9.095 -3.732 545 HB3 HIS 70 2HB HIS 70 7.499 -7.865 -4.710 546 HD1 HIS 70 1HD HIS 70 9.520 -10.977 -4.941 547 HD2 HIS 70 2HD HIS 70 8.239 -7.916 -7.507 548 HE1 HIS 70 1HE HIS 70 9.885 -11.835 -7.316 549 H ALA 71 H ALA 71 8.353 -5.536 -5.529 550 HA ALA 71 HA ALA 71 9.873 -5.588 -7.836 551 HB1 ALA 71 3HB ALA 71 8.865 -2.930 -7.153 552 HB2 ALA 71 1HB ALA 71 8.353 -4.041 -8.446 553 HB3 ALA 71 2HB ALA 71 7.666 -4.200 -6.812 554 H GLU 72 H GLU 72 10.150 -3.406 -4.943 555 HA GLU 72 HA GLU 72 12.385 -2.080 -5.920 556 HB2 GLU 72 1HB GLU 72 10.763 -2.090 -3.530 557 HB3 GLU 72 2HB GLU 72 12.448 -2.100 -3.049 558 HG2 GLU 72 1HG GLU 72 12.917 -0.052 -4.134 559 HG3 GLU 72 2HG GLU 72 11.570 -0.210 -5.243 560 HE2 GLU 72 HE GLU 72 11.191 2.161 -2.475 561 H GLN 73 H GLN 73 11.989 -4.996 -3.839 562 HA GLN 73 HA GLN 73 14.517 -5.315 -2.968 563 HB2 GLN 73 1HB GLN 73 13.098 -6.932 -2.127 564 HB3 GLN 73 2HB GLN 73 12.270 -7.164 -3.654 565 HG2 GLN 73 1HG GLN 73 14.049 -8.536 -4.534 566 HG3 GLN 73 2HG GLN 73 15.155 -8.055 -3.262 567 HE21 GLN 73 2HE2 GLN 73 13.962 -11.457 -2.477 568 HE22 GLN 73 1HE2 GLN 73 14.853 -10.659 -3.731 569 H GLU 74 H GLU 74 13.211 -5.910 -6.243 570 HA GLU 74 HA GLU 74 15.826 -6.890 -7.040 571 HB2 GLU 74 1HB GLU 74 13.145 -7.583 -7.770 572 HB3 GLU 74 2HB GLU 74 13.891 -6.891 -9.196 573 HG2 GLU 74 1HG GLU 74 15.636 -8.783 -7.695 574 HG3 GLU 74 2HG GLU 74 14.196 -9.515 -8.375 575 HE2 GLU 74 HE GLU 74 16.464 -9.980 -10.842 576 H ASN 75 H ASN 75 15.338 -4.059 -6.338 577 HA ASN 75 HA ASN 75 16.277 -2.969 -8.823 578 HB2 ASN 75 1HB ASN 75 13.651 -2.658 -8.522 579 HB3 ASN 75 2HB ASN 75 14.101 -1.441 -7.344 580 HD21 ASN 75 2HD2 ASN 75 13.678 0.448 -10.407 581 HD22 ASN 75 1HD2 ASN 75 12.758 -0.373 -9.191 582 H MET 76 H MET 76 14.979 -1.958 -5.559 583 HA MET 76 HA MET 76 17.262 -0.234 -5.238 584 HB2 MET 76 1HB MET 76 14.736 -0.772 -3.586 585 HB3 MET 76 2HB MET 76 15.976 0.350 -3.064 586 HG2 MET 76 1HG MET 76 14.383 0.543 -5.667 587 HG3 MET 76 2HG MET 76 14.145 1.542 -4.247 588 HE1 MET 76 3HE MET 76 15.944 2.151 -7.760 589 HE2 MET 76 1HE MET 76 17.478 1.409 -7.247 590 HE3 MET 76 2HE MET 76 15.958 0.490 -7.122 591 H THR 77 H THR 77 17.942 -0.201 -2.642 592 HA THR 77 HA THR 77 19.072 -2.857 -2.255 593 HB THR 77 HB THR 77 20.523 -0.816 -2.238 594 HG1 THR 77 1HG THR 77 21.499 -1.497 -0.225 595 HG21 THR 77 3HG2 THR 77 18.776 0.739 -1.184 596 HG22 THR 77 1HG2 THR 77 19.043 -0.125 0.350 597 HG23 THR 77 2HG2 THR 77 20.375 0.787 -0.403 598 H LEU 78 H LEU 78 19.410 -3.235 0.343 599 HA LEU 78 HA LEU 78 16.787 -3.918 1.185 600 HB2 LEU 78 1HB LEU 78 19.569 -4.352 2.096 601 HB3 LEU 78 2HB LEU 78 18.337 -4.402 3.342 602 HG LEU 78 HG LEU 78 17.143 -6.169 2.138 603 HD11 LEU 78 1HD1 LEU 78 19.099 -6.991 0.231 604 HD12 LEU 78 2HD1 LEU 78 17.406 -6.508 -0.035 605 HD13 LEU 78 3HD1 LEU 78 18.698 -5.284 -0.076 606 HD21 LEU 78 3HD2 LEU 78 18.397 -7.770 3.075 607 HD22 LEU 78 1HD2 LEU 78 19.835 -7.351 2.113 608 HD23 LEU 78 2HD2 LEU 78 19.451 -6.430 3.587 609 H THR 79 H THR 79 19.119 -1.309 1.897 610 HA THR 79 HA THR 79 17.949 -0.346 4.232 611 HB THR 79 HB THR 79 19.747 0.663 2.037 612 HG1 THR 79 1HG THR 79 20.914 1.084 4.144 613 HG21 THR 79 3HG2 THR 79 18.388 2.422 4.144 614 HG22 THR 79 1HG2 THR 79 19.904 2.863 3.322 615 HG23 THR 79 2HG2 THR 79 18.402 2.686 2.383 616 H GLU 80 H GLU 80 17.311 0.601 0.792 617 HA GLU 80 HA GLU 80 15.395 2.469 1.412 618 HB2 GLU 80 1HB GLU 80 16.449 1.187 -0.941 619 HB3 GLU 80 2HB GLU 80 14.702 1.177 -1.068 620 HG2 GLU 80 1HG GLU 80 14.683 3.647 -0.538 621 HG3 GLU 80 2HG GLU 80 16.435 3.631 -0.512 622 HE2 GLU 80 HE GLU 80 17.373 2.750 -2.568 623 H LEU 81 H LEU 81 15.082 -1.070 0.712 624 HA LEU 81 HA LEU 81 12.298 -1.152 0.826 625 HB2 LEU 81 1HB LEU 81 14.529 -3.116 1.045 626 HB3 LEU 81 2HB LEU 81 12.932 -3.627 1.553 627 HG LEU 81 HG LEU 81 13.834 -2.750 -1.190 628 HD11 LEU 81 1HD1 LEU 81 12.853 -4.936 -1.843 629 HD12 LEU 81 2HD1 LEU 81 14.209 -5.076 -0.699 630 HD13 LEU 81 3HD1 LEU 81 12.536 -5.271 -0.124 631 HD21 LEU 81 3HD2 LEU 81 11.818 -1.582 -1.055 632 HD22 LEU 81 1HD2 LEU 81 11.366 -3.126 -1.816 633 HD23 LEU 81 2HD2 LEU 81 11.031 -2.853 -0.089 634 H LYS 82 H LYS 82 14.810 -1.055 3.338 635 HA LYS 82 HA LYS 82 13.095 -1.902 5.433 636 HB2 LYS 82 1HB LYS 82 15.790 -1.650 5.130 637 HB3 LYS 82 2HB LYS 82 15.444 -0.215 6.075 638 HG2 LYS 82 1HG LYS 82 15.408 -1.548 7.912 639 HG3 LYS 82 2HG LYS 82 13.892 -2.198 7.322 640 HD2 LYS 82 1HD LYS 82 15.133 -3.946 6.038 641 HD3 LYS 82 2HD LYS 82 16.655 -3.289 6.606 642 HE2 LYS 82 1HE LYS 82 16.008 -3.777 8.963 643 HE3 LYS 82 2HE LYS 82 14.456 -4.386 8.424 644 HZ1 LYS 82 2HZ LYS 82 16.172 -5.839 6.930 645 HZ3 LYS 82 1HZ LYS 82 15.558 -6.350 8.348 646 H LYS 83 H LYS 83 13.871 1.193 3.847 647 HA LYS 83 HA LYS 83 12.773 2.833 5.856 648 HB2 LYS 83 1HB LYS 83 14.111 3.147 3.380 649 HB3 LYS 83 2HB LYS 83 12.588 4.000 3.223 650 HG2 LYS 83 1HG LYS 83 14.179 5.563 4.162 651 HG3 LYS 83 2HG LYS 83 13.059 5.141 5.443 652 HD2 LYS 83 1HD LYS 83 14.845 3.240 5.987 653 HD3 LYS 83 2HD LYS 83 15.936 4.269 5.080 654 HE2 LYS 83 1HE LYS 83 14.750 6.142 6.708 655 HE3 LYS 83 2HE LYS 83 14.666 4.733 7.748 656 HZ1 LYS 83 2HZ LYS 83 17.213 4.692 6.683 657 HZ3 LYS 83 1HZ LYS 83 16.819 5.129 8.202 658 H VAL 84 H VAL 84 11.442 1.571 2.723 659 HA VAL 84 HA VAL 84 8.899 2.677 3.108 660 HB VAL 84 HB VAL 84 8.251 1.350 1.261 661 HG11 VAL 84 1HG1 VAL 84 11.113 1.599 0.496 662 HG12 VAL 84 2HG1 VAL 84 9.651 2.245 -0.288 663 HG13 VAL 84 3HG1 VAL 84 10.333 3.066 1.136 664 HG21 VAL 84 3HG2 VAL 84 10.707 -0.379 1.718 665 HG22 VAL 84 1HG2 VAL 84 9.035 -0.832 2.129 666 HG23 VAL 84 2HG2 VAL 84 9.494 -0.573 0.429 667 H ILE 85 H ILE 85 10.365 -0.495 3.993 668 HA ILE 85 HA ILE 85 8.000 -1.685 4.871 669 HB ILE 85 HB ILE 85 10.919 -2.128 5.261 670 HG12 ILE 85 1HG1 ILE 85 9.250 -2.941 3.348 671 HG13 ILE 85 2HG1 ILE 85 10.617 -3.899 3.878 672 HG21 ILE 85 1HG2 ILE 85 10.055 -4.248 6.610 673 HG22 ILE 85 2HG2 ILE 85 10.491 -2.723 7.417 674 HG23 ILE 85 3HG2 ILE 85 8.782 -3.104 7.097 675 HD11 ILE 85 3HD1 ILE 85 8.080 -4.259 5.431 676 HD12 ILE 85 1HD1 ILE 85 8.096 -4.886 3.766 677 HD13 ILE 85 2HD1 ILE 85 9.296 -5.464 4.945 678 H ALA 86 H ALA 86 10.314 0.559 6.425 679 HA ALA 86 HA ALA 86 9.089 0.273 8.998 680 HB1 ALA 86 3HB ALA 86 10.579 2.381 9.382 681 HB2 ALA 86 1HB ALA 86 11.373 0.821 9.058 682 HB3 ALA 86 2HB ALA 86 11.218 2.028 7.759 683 H ASP 87 H ASP 87 8.497 2.066 6.054 684 HA ASP 87 HA ASP 87 7.073 4.139 7.404 685 HB2 ASP 87 1HB ASP 87 8.232 3.772 4.848 686 HB3 ASP 87 2HB ASP 87 6.509 3.832 4.534 687 HD2 ASP 87 HD ASP 87 5.796 6.684 5.714 688 H ILE 88 H ILE 88 6.515 0.984 5.884 689 HA ILE 88 HA ILE 88 3.666 1.393 5.656 690 HB ILE 88 HB ILE 88 5.278 0.035 4.122 691 HG12 ILE 88 1HG1 ILE 88 2.740 -1.430 4.718 692 HG13 ILE 88 2HG1 ILE 88 2.626 0.260 4.265 693 HG21 ILE 88 1HG2 ILE 88 4.641 -1.985 6.287 694 HG22 ILE 88 2HG2 ILE 88 5.249 -2.395 4.665 695 HG23 ILE 88 3HG2 ILE 88 6.248 -1.420 5.770 696 HD11 ILE 88 3HD1 ILE 88 2.802 -0.402 2.105 697 HD12 ILE 88 1HD1 ILE 88 4.498 -0.822 2.446 698 HD13 ILE 88 2HD1 ILE 88 3.228 -2.061 2.593 699 H TYR 89 H TYR 89 5.880 -0.834 7.491 700 HA TYR 89 HA TYR 89 4.813 -0.457 9.958 701 HB2 TYR 89 1HB TYR 89 3.219 -2.473 10.040 702 HB3 TYR 89 2HB TYR 89 2.627 -1.168 9.033 703 HD1 TYR 89 2HD TYR 89 4.552 -4.373 8.817 704 HD2 TYR 89 1HD TYR 89 1.963 -1.606 6.832 705 HE1 TYR 89 2HE TYR 89 4.329 -5.977 6.857 706 HE2 TYR 89 1HE TYR 89 1.748 -3.219 4.879 707 HH TYR 89 HH TYR 89 2.740 -6.442 5.087 708 HA PRO 90 HA PRO 90 7.998 -3.338 10.555 709 HB2 PRO 90 2HB PRO 90 8.735 -2.230 12.434 710 HB3 PRO 90 1HB PRO 90 7.927 -3.536 13.280 711 HG2 PRO 90 1HG PRO 90 6.157 -2.187 13.881 712 HG3 PRO 90 2HG PRO 90 7.172 -0.840 13.407 713 HD2 PRO 90 1HD PRO 90 4.744 -1.688 12.137 714 HD3 PRO 90 2HD PRO 90 5.821 -0.415 11.596 715 H GLY 91 H GLY 91 8.527 -5.527 10.990 716 HA2 GLY 91 1HA GLY 91 7.943 -7.655 11.699 717 HA3 GLY 91 2HA GLY 91 6.282 -7.147 11.930 718 H GLN 92 H GLN 92 8.184 -9.102 10.060 719 HA GLN 92 HA GLN 92 6.536 -8.642 7.698 720 HB2 GLN 92 1HB GLN 92 8.802 -8.398 7.034 721 HB3 GLN 92 2HB GLN 92 9.345 -9.722 8.045 722 HG2 GLN 92 1HG GLN 92 7.317 -10.556 6.057 723 HG3 GLN 92 2HG GLN 92 8.757 -9.887 5.317 724 HE21 GLN 92 2HE2 GLN 92 9.019 -13.615 5.962 725 HE22 GLN 92 1HE2 GLN 92 7.798 -12.599 5.270 726 H THR 93 H THR 93 4.729 -9.928 8.050 727 HA THR 93 HA THR 93 5.188 -12.782 8.032 728 HB THR 93 HB THR 93 4.056 -13.231 10.112 729 HG1 THR 93 1HG THR 93 2.490 -11.755 10.620 730 HG21 THR 93 3HG2 THR 93 5.234 -11.881 11.829 731 HG22 THR 93 1HG2 THR 93 6.369 -12.314 10.528 732 HG23 THR 93 2HG2 THR 93 5.677 -10.676 10.597 733 H GLN 94 H GLN 94 3.333 -13.998 7.373 734 HA GLN 94 HA GLN 94 1.962 -12.972 5.350 735 HB2 GLN 94 1HB GLN 94 1.326 -15.173 7.310 736 HB3 GLN 94 2HB GLN 94 0.109 -14.741 6.126 737 HG2 GLN 94 1HG GLN 94 1.385 -15.481 4.324 738 HG3 GLN 94 2HG GLN 94 2.908 -15.091 5.096 739 HE21 GLN 94 2HE2 GLN 94 1.626 -18.844 5.032 740 HE22 GLN 94 1HE2 GLN 94 1.142 -17.543 3.995 741 H PHE 95 H PHE 95 -0.028 -11.898 4.956 742 HA PHE 95 HA PHE 95 -1.766 -11.270 7.129 743 HB2 PHE 95 1HB PHE 95 0.467 -9.524 6.322 744 HB3 PHE 95 2HB PHE 95 -1.054 -8.715 6.002 745 HD1 PHE 95 2HD PHE 95 -2.637 -9.896 8.310 746 HD2 PHE 95 1HD PHE 95 1.255 -8.216 8.116 747 HE1 PHE 95 2HE PHE 95 -2.798 -9.243 10.729 748 HE2 PHE 95 1HE PHE 95 1.094 -7.562 10.534 749 HZ PHE 95 HZ PHE 95 -0.931 -8.084 11.812 750 H TYR 96 H TYR 96 -3.327 -9.314 6.191 751 HA TYR 96 HA TYR 96 -4.451 -10.485 3.836 752 HB2 TYR 96 1HB TYR 96 -5.091 -8.706 6.068 753 HB3 TYR 96 2HB TYR 96 -5.512 -7.872 4.586 754 HD1 TYR 96 1HD TYR 96 -5.851 -11.376 5.918 755 HD2 TYR 96 2HD TYR 96 -7.734 -8.059 3.978 756 HE1 TYR 96 1HE TYR 96 -8.034 -12.674 5.801 757 HE2 TYR 96 2HE TYR 96 -9.911 -9.369 3.868 758 HH TYR 96 HH TYR 96 -10.031 -12.725 4.560 759 H VAL 97 H VAL 97 -4.575 -9.641 1.747 760 HA VAL 97 HA VAL 97 -3.030 -7.183 1.304 761 HB VAL 97 HB VAL 97 -2.990 -9.775 -0.249 762 HG11 VAL 97 1HG1 VAL 97 -1.272 -7.480 -1.070 763 HG12 VAL 97 2HG1 VAL 97 -2.006 -8.773 -2.047 764 HG13 VAL 97 3HG1 VAL 97 -2.998 -7.401 -1.498 765 HG21 VAL 97 3HG2 VAL 97 -1.215 -10.231 1.023 766 HG22 VAL 97 1HG2 VAL 97 -0.388 -8.831 0.298 767 HG23 VAL 97 2HG2 VAL 97 -1.310 -8.636 1.809 768 H ILE 98 H ILE 98 -4.038 -5.647 0.066 769 HA ILE 98 HA ILE 98 -6.477 -6.511 -1.320 770 HB ILE 98 HB ILE 98 -6.234 -3.836 0.015 771 HG12 ILE 98 1HG1 ILE 98 -5.802 -5.420 1.795 772 HG13 ILE 98 2HG1 ILE 98 -7.407 -4.740 1.976 773 HG21 ILE 98 1HG2 ILE 98 -8.431 -3.577 -0.460 774 HG22 ILE 98 2HG2 ILE 98 -8.041 -4.732 -1.758 775 HG23 ILE 98 3HG2 ILE 98 -8.799 -5.306 -0.253 776 HD11 ILE 98 3HD1 ILE 98 -8.428 -6.759 1.676 777 HD12 ILE 98 1HD1 ILE 98 -7.367 -7.192 0.315 778 HD13 ILE 98 2HD1 ILE 98 -6.817 -7.448 1.988 779 H GLU 99 H GLU 99 -6.393 -6.122 -3.463 780 HA GLU 99 HA GLU 99 -4.328 -4.294 -4.350 781 HB2 GLU 99 1HB GLU 99 -4.810 -6.795 -5.194 782 HB3 GLU 99 2HB GLU 99 -5.941 -5.980 -6.255 783 HG2 GLU 99 1HG GLU 99 -3.344 -4.591 -6.157 784 HG3 GLU 99 2HG GLU 99 -3.170 -6.259 -6.668 785 HE2 GLU 99 HE GLU 99 -5.230 -3.444 -7.506 786 H PHE 100 H PHE 100 -4.772 -2.559 -5.837 787 HA PHE 100 HA PHE 100 -7.556 -2.047 -6.451 788 HB2 PHE 100 1HB PHE 100 -7.107 0.360 -5.513 789 HB3 PHE 100 2HB PHE 100 -7.373 -0.901 -4.325 790 HD1 PHE 100 2HD PHE 100 -4.501 0.549 -6.234 791 HD2 PHE 100 1HD PHE 100 -5.944 -0.927 -2.526 792 HE1 PHE 100 2HE PHE 100 -2.300 1.097 -5.160 793 HE2 PHE 100 1HE PHE 100 -3.742 -0.379 -1.452 794 HZ PHE 100 HZ PHE 100 -1.947 0.626 -2.781 795 H LYS 101 H LYS 101 -7.750 -0.043 -7.904 796 HA LYS 101 HA LYS 101 -5.254 0.471 -9.335 797 HB2 LYS 101 1HB LYS 101 -6.139 -0.055 -11.444 798 HB3 LYS 101 2HB LYS 101 -6.586 -1.405 -10.422 799 HG2 LYS 101 1HG LYS 101 -8.861 -0.639 -10.214 800 HG3 LYS 101 2HG LYS 101 -8.467 0.952 -10.834 801 HD2 LYS 101 1HD LYS 101 -7.770 -0.257 -13.031 802 HD3 LYS 101 2HD LYS 101 -8.573 -1.671 -12.377 803 HE2 LYS 101 1HE LYS 101 -10.640 -0.836 -12.850 804 HE3 LYS 101 2HE LYS 101 -10.271 0.706 -12.102 805 HZ1 LYS 101 2HZ LYS 101 -9.008 1.247 -14.196 806 HZ3 LYS 101 1HZ LYS 101 -10.613 1.093 -14.422 807 H CYS 102 H CYS 102 -5.330 2.478 -10.621 808 HA CYS 102 HA CYS 102 -7.014 4.398 -9.261 809 HB2 CYS 102 1HB CYS 102 -4.771 5.103 -9.328 810 HB3 CYS 102 2HB CYS 102 -4.556 4.614 -10.997 811 HG CYS 102 HG CYS 102 -4.542 7.244 -10.796 812 H LEU 103 H LEU 103 -8.879 5.181 -10.196 813 HA LEU 103 HA LEU 103 -9.093 4.987 -13.110 814 HB2 LEU 103 1HB LEU 103 -11.530 4.381 -12.705 815 HB3 LEU 103 2HB LEU 103 -10.319 3.129 -12.517 816 HG LEU 103 HG LEU 103 -10.413 3.791 -9.977 817 HD11 LEU 103 1HD1 LEU 103 -11.785 5.749 -10.133 818 HD12 LEU 103 2HD1 LEU 103 -13.053 4.856 -11.007 819 HD13 LEU 103 3HD1 LEU 103 -12.715 4.480 -9.300 820 HD21 LEU 103 3HD2 LEU 103 -11.977 1.949 -11.631 821 HD22 LEU 103 1HD2 LEU 103 -11.083 1.666 -10.118 822 HD23 LEU 103 2HD2 LEU 103 -12.738 2.319 -10.064 Start of MODEL 9 1 H1 MET 1 1H MET 1 -16.573 11.024 9.303 2 HA MET 1 HA MET 1 -14.598 12.934 10.280 3 HB2 MET 1 1HB MET 1 -16.941 11.626 11.450 4 HB3 MET 1 2HB MET 1 -15.518 11.184 12.373 5 HG2 MET 1 1HG MET 1 -15.661 14.074 11.658 6 HG3 MET 1 2HG MET 1 -16.947 13.530 12.717 7 HE1 MET 1 3HE MET 1 -14.757 15.536 12.914 8 HE2 MET 1 1HE MET 1 -14.947 15.495 14.683 9 HE3 MET 1 2HE MET 1 -13.354 15.184 13.951 10 H GLN 2 H GLN 2 -15.189 9.631 9.291 11 HA GLN 2 HA GLN 2 -13.279 8.336 10.802 12 HB2 GLN 2 1HB GLN 2 -15.017 7.740 8.604 13 HB3 GLN 2 2HB GLN 2 -13.416 7.198 8.143 14 HG2 GLN 2 1HG GLN 2 -13.836 5.339 9.386 15 HG3 GLN 2 2HG GLN 2 -13.579 6.350 10.794 16 HE21 GLN 2 2HE2 GLN 2 -17.261 4.911 9.789 17 HE22 GLN 2 1HE2 GLN 2 -15.824 4.626 8.864 18 HA PRO 3 HA PRO 3 -9.585 9.803 9.037 19 HB2 PRO 3 2HB PRO 3 -8.411 9.370 10.970 20 HB3 PRO 3 1HB PRO 3 -7.826 7.985 10.070 21 HG2 PRO 3 1HG PRO 3 -9.171 6.526 11.243 22 HG3 PRO 3 2HG PRO 3 -9.408 7.839 12.379 23 HD2 PRO 3 1HD PRO 3 -11.395 6.665 10.677 24 HD3 PRO 3 2HD PRO 3 -11.602 8.052 11.727 25 H ASN 4 H ASN 4 -7.584 9.108 7.742 26 HA ASN 4 HA ASN 4 -8.341 8.238 5.380 27 HB2 ASN 4 1HB ASN 4 -6.085 8.827 5.382 28 HB3 ASN 4 2HB ASN 4 -5.773 8.040 6.917 29 HD21 ASN 4 2HD2 ASN 4 -4.727 4.979 5.630 30 HD22 ASN 4 1HD2 ASN 4 -5.135 5.946 7.008 31 H ASP 5 H ASP 5 -8.147 6.092 4.218 32 HA ASP 5 HA ASP 5 -9.086 3.997 5.941 33 HB2 ASP 5 1HB ASP 5 -8.678 4.027 2.913 34 HB3 ASP 5 2HB ASP 5 -9.558 2.806 3.812 35 HD2 ASP 5 HD ASP 5 -11.049 3.592 2.124 36 H ILE 6 H ILE 6 -6.435 4.719 3.572 37 HA ILE 6 HA ILE 6 -4.686 2.921 4.976 38 HB ILE 6 HB ILE 6 -5.517 1.223 3.676 39 HG12 ILE 6 1HG1 ILE 6 -3.351 2.322 1.867 40 HG13 ILE 6 2HG1 ILE 6 -3.027 1.585 3.424 41 HG21 ILE 6 1HG2 ILE 6 -6.965 1.680 2.059 42 HG22 ILE 6 2HG2 ILE 6 -6.367 3.351 1.926 43 HG23 ILE 6 3HG2 ILE 6 -5.593 2.051 0.988 44 HD11 ILE 6 3HD1 ILE 6 -4.382 0.268 1.030 45 HD12 ILE 6 1HD1 ILE 6 -2.790 -0.130 1.719 46 HD13 ILE 6 2HD1 ILE 6 -4.272 -0.484 2.639 47 H THR 7 H THR 7 -2.512 3.492 4.698 48 HA THR 7 HA THR 7 -2.142 5.964 3.158 49 HB THR 7 HB THR 7 0.027 5.865 4.735 50 HG1 THR 7 1HG THR 7 -0.648 3.648 5.414 51 HG21 THR 7 3HG2 THR 7 -2.253 7.313 4.925 52 HG22 THR 7 1HG2 THR 7 -2.519 6.230 6.312 53 HG23 THR 7 2HG2 THR 7 -1.072 7.264 6.256 54 H PHE 8 H PHE 8 -0.138 6.272 1.952 55 HA PHE 8 HA PHE 8 1.192 3.793 1.216 56 HB2 PHE 8 1HB PHE 8 -0.144 5.800 -0.700 57 HB3 PHE 8 2HB PHE 8 0.813 4.427 -1.219 58 HD1 PHE 8 2HD PHE 8 -2.378 5.465 0.263 59 HD2 PHE 8 1HD PHE 8 -0.094 2.192 -1.178 60 HE1 PHE 8 2HE PHE 8 -4.441 4.036 0.241 61 HE2 PHE 8 1HE PHE 8 -2.156 0.763 -1.200 62 HZ PHE 8 HZ PHE 8 -4.305 1.701 -0.491 63 H PHE 9 H PHE 9 3.323 4.226 1.520 64 HA PHE 9 HA PHE 9 4.496 6.559 2.012 65 HB2 PHE 9 1HB PHE 9 5.469 4.176 1.898 66 HB3 PHE 9 2HB PHE 9 5.574 4.351 0.157 67 HD1 PHE 9 2HD PHE 9 6.350 7.001 2.623 68 HD2 PHE 9 1HD PHE 9 7.910 4.154 -0.110 69 HE1 PHE 9 2HE PHE 9 8.631 8.021 2.862 70 HE2 PHE 9 1HE PHE 9 10.191 5.174 0.130 71 HZ PHE 9 HZ PHE 9 10.524 7.095 1.613 72 H GLN 10 H GLN 10 5.972 7.993 0.723 73 HA GLN 10 HA GLN 10 4.639 9.265 -1.250 74 HB2 GLN 10 1HB GLN 10 6.594 10.171 -0.002 75 HB3 GLN 10 2HB GLN 10 7.663 9.098 -0.882 76 HG2 GLN 10 1HG GLN 10 6.218 10.373 -2.924 77 HG3 GLN 10 2HG GLN 10 6.445 11.646 -1.742 78 HE21 GLN 10 2HE2 GLN 10 9.475 10.331 -4.093 79 HE22 GLN 10 1HE2 GLN 10 7.833 9.789 -4.202 80 H ARG 11 H ARG 11 7.347 6.872 -1.664 81 HA ARG 11 HA ARG 11 7.454 6.901 -4.359 82 HB2 ARG 11 1HB ARG 11 7.719 4.447 -2.547 83 HB3 ARG 11 2HB ARG 11 8.364 4.572 -4.172 84 HG2 ARG 11 1HG ARG 11 9.531 6.778 -3.184 85 HG3 ARG 11 2HG ARG 11 9.283 5.961 -1.653 86 HD2 ARG 11 1HD ARG 11 11.452 5.255 -2.375 87 HD3 ARG 11 2HD ARG 11 10.405 3.891 -2.717 88 HE ARG 11 HE ARG 11 10.658 4.276 -5.032 89 HH11 ARG 11 2HH2 ARG 11 12.009 6.997 -3.210 90 HH12 ARG 11 1HH2 ARG 11 12.779 7.702 -4.592 91 HH21 ARG 11 1HH ARG 11 12.568 6.631 -6.726 92 H PHE 12 H PHE 12 5.202 5.097 -2.196 93 HA PHE 12 HA PHE 12 4.008 3.613 -4.290 94 HB2 PHE 12 1HB PHE 12 3.347 4.410 -1.407 95 HB3 PHE 12 2HB PHE 12 2.199 3.469 -2.339 96 HD1 PHE 12 2HD PHE 12 5.870 3.386 -1.619 97 HD2 PHE 12 1HD PHE 12 2.249 1.203 -1.978 98 HE1 PHE 12 2HE PHE 12 7.077 1.280 -0.979 99 HE2 PHE 12 1HE PHE 12 3.456 -0.903 -1.338 100 HZ PHE 12 HZ PHE 12 5.855 -0.839 -0.847 101 H GLN 13 H GLN 13 3.462 6.817 -2.821 102 HA GLN 13 HA GLN 13 0.863 7.130 -3.795 103 HB2 GLN 13 1HB GLN 13 2.868 8.723 -2.388 104 HB3 GLN 13 2HB GLN 13 2.043 9.699 -3.586 105 HG2 GLN 13 1HG GLN 13 0.117 8.009 -2.185 106 HG3 GLN 13 2HG GLN 13 1.069 8.916 -1.026 107 HE21 GLN 13 2HE2 GLN 13 -0.017 12.144 -2.035 108 HE22 GLN 13 1HE2 GLN 13 1.300 11.239 -1.367 109 H ASP 14 H ASP 14 4.121 8.062 -5.061 110 HA ASP 14 HA ASP 14 3.160 9.442 -7.261 111 HB2 ASP 14 1HB ASP 14 5.446 9.768 -6.708 112 HB3 ASP 14 2HB ASP 14 5.757 8.049 -6.566 113 HD2 ASP 14 HD ASP 14 7.157 7.781 -9.401 114 H ASP 15 H ASP 15 4.366 6.035 -6.816 115 HA ASP 15 HA ASP 15 4.177 5.162 -9.358 116 HB2 ASP 15 1HB ASP 15 4.762 3.997 -6.998 117 HB3 ASP 15 2HB ASP 15 3.130 3.379 -7.159 118 HD2 ASP 15 HD ASP 15 5.905 2.387 -9.856 119 H ILE 16 H ILE 16 1.614 5.249 -6.781 120 HA ILE 16 HA ILE 16 -0.402 4.074 -8.324 121 HB ILE 16 HB ILE 16 -0.474 5.904 -5.927 122 HG12 ILE 16 1HG1 ILE 16 -1.063 2.951 -5.961 123 HG13 ILE 16 2HG1 ILE 16 0.593 3.522 -5.893 124 HG21 ILE 16 1HG2 ILE 16 -2.580 5.990 -7.293 125 HG22 ILE 16 2HG2 ILE 16 -2.767 4.245 -6.999 126 HG23 ILE 16 3HG2 ILE 16 -2.781 5.384 -5.631 127 HD11 ILE 16 3HD1 ILE 16 -1.512 3.595 -3.812 128 HD12 ILE 16 1HD1 ILE 16 0.259 3.615 -3.638 129 HD13 ILE 16 2HD1 ILE 16 -0.619 5.125 -3.983 130 H LEU 17 H LEU 17 0.611 7.500 -7.823 131 HA LEU 17 HA LEU 17 -1.491 8.654 -9.232 132 HB2 LEU 17 1HB LEU 17 -0.493 10.480 -8.529 133 HB3 LEU 17 2HB LEU 17 0.784 9.482 -7.861 134 HG LEU 17 HG LEU 17 1.764 9.644 -10.317 135 HD11 LEU 17 1HD1 LEU 17 0.019 10.798 -11.419 136 HD12 LEU 17 2HD1 LEU 17 -0.087 12.026 -10.135 137 HD13 LEU 17 3HD1 LEU 17 1.334 11.978 -11.205 138 HD21 LEU 17 3HD2 LEU 17 3.306 10.533 -8.979 139 HD22 LEU 17 1HD2 LEU 17 2.563 12.111 -9.334 140 HD23 LEU 17 2HD2 LEU 17 2.080 11.208 -7.878 141 H ALA 18 H ALA 18 1.402 6.916 -10.283 142 HA ALA 18 HA ALA 18 1.115 7.864 -13.003 143 HB1 ALA 18 3HB ALA 18 2.920 5.610 -12.583 144 HB2 ALA 18 1HB ALA 18 3.279 7.260 -13.146 145 HB3 ALA 18 2HB ALA 18 3.216 6.908 -11.402 146 H GLY 19 H GLY 19 -0.870 6.066 -11.275 147 HA2 GLY 19 1HA GLY 19 -2.502 4.647 -11.982 148 HA3 GLY 19 2HA GLY 19 -1.695 4.467 -13.527 149 H ARG 20 H ARG 20 -1.164 2.362 -13.899 150 HA ARG 20 HA ARG 20 -0.708 0.268 -13.501 151 HB2 ARG 20 1HB ARG 20 1.531 1.885 -12.826 152 HB3 ARG 20 2HB ARG 20 1.476 0.657 -11.577 153 HG2 ARG 20 1HG ARG 20 2.815 -0.265 -13.349 154 HG3 ARG 20 2HG ARG 20 1.275 -1.097 -13.428 155 HD2 ARG 20 1HD ARG 20 0.666 0.914 -15.113 156 HD3 ARG 20 2HD ARG 20 2.407 0.984 -15.300 157 HE ARG 20 HE ARG 20 1.332 -1.735 -15.512 158 HH11 ARG 20 2HH2 ARG 20 2.067 1.233 -17.303 159 HH12 ARG 20 1HH2 ARG 20 2.171 0.430 -18.834 160 HH21 ARG 20 1HH ARG 20 1.815 -1.937 -18.946 161 H LYS 21 H LYS 21 -2.472 -0.596 -12.318 162 HA LYS 21 HA LYS 21 -3.194 -0.117 -9.768 163 HB2 LYS 21 1HB LYS 21 -4.221 -2.357 -9.788 164 HB3 LYS 21 2HB LYS 21 -4.507 -1.474 -11.274 165 HG2 LYS 21 1HG LYS 21 -3.583 -3.169 -12.458 166 HG3 LYS 21 2HG LYS 21 -2.052 -2.898 -11.649 167 HD2 LYS 21 1HD LYS 21 -2.362 -4.643 -10.164 168 HD3 LYS 21 2HD LYS 21 -4.088 -4.371 -10.033 169 HE2 LYS 21 1HE LYS 21 -4.315 -6.221 -11.349 170 HE3 LYS 21 2HE LYS 21 -3.856 -5.178 -12.680 171 HZ1 LYS 21 2HZ LYS 21 -2.166 -7.078 -11.203 172 HZ3 LYS 21 1HZ LYS 21 -1.453 -5.797 -11.913 173 H THR 22 H THR 22 -2.904 -1.375 -7.729 174 HA THR 22 HA THR 22 -0.452 -2.891 -7.517 175 HB THR 22 HB THR 22 -0.830 -0.153 -6.195 176 HG1 THR 22 1HG THR 22 0.990 0.271 -7.569 177 HG21 THR 22 3HG2 THR 22 1.498 -2.127 -5.951 178 HG22 THR 22 1HG2 THR 22 1.359 -0.539 -5.158 179 HG23 THR 22 2HG2 THR 22 0.285 -1.873 -4.673 180 H ILE 23 H ILE 23 -0.269 -4.049 -5.513 181 HA ILE 23 HA ILE 23 -2.899 -4.330 -4.258 182 HB ILE 23 HB ILE 23 -1.171 -6.421 -3.491 183 HG12 ILE 23 1HG1 ILE 23 -0.989 -5.799 -6.451 184 HG13 ILE 23 2HG1 ILE 23 0.333 -5.888 -5.305 185 HG21 ILE 23 1HG2 ILE 23 -3.767 -6.101 -4.238 186 HG22 ILE 23 2HG2 ILE 23 -3.104 -6.949 -5.656 187 HG23 ILE 23 3HG2 ILE 23 -2.955 -7.672 -4.036 188 HD11 ILE 23 3HD1 ILE 23 0.448 -8.015 -6.256 189 HD12 ILE 23 1HD1 ILE 23 -0.612 -8.343 -4.864 190 HD13 ILE 23 2HD1 ILE 23 -1.314 -8.121 -6.484 191 H THR 24 H THR 24 -3.095 -4.399 -1.954 192 HA THR 24 HA THR 24 -0.785 -3.181 -0.585 193 HB THR 24 HB THR 24 -2.361 -1.851 0.654 194 HG1 THR 24 1HG THR 24 -4.542 -2.558 0.761 195 HG21 THR 24 3HG2 THR 24 -2.264 -1.366 -1.949 196 HG22 THR 24 1HG2 THR 24 -3.889 -2.093 -1.963 197 HG23 THR 24 2HG2 THR 24 -3.574 -0.636 -0.990 198 H ILE 25 H ILE 25 -1.064 -3.520 1.939 199 HA ILE 25 HA ILE 25 -1.943 -6.268 2.404 200 HB ILE 25 HB ILE 25 0.787 -5.163 3.070 201 HG12 ILE 25 1HG1 ILE 25 1.182 -7.497 1.718 202 HG13 ILE 25 2HG1 ILE 25 -0.269 -6.913 0.928 203 HG21 ILE 25 1HG2 ILE 25 -0.059 -7.981 3.648 204 HG22 ILE 25 2HG2 ILE 25 1.239 -7.005 4.375 205 HG23 ILE 25 3HG2 ILE 25 -0.459 -6.682 4.797 206 HD11 ILE 25 3HD1 ILE 25 0.872 -4.670 0.607 207 HD12 ILE 25 1HD1 ILE 25 2.362 -5.401 1.252 208 HD13 ILE 25 2HD1 ILE 25 1.653 -6.013 -0.262 209 H ARG 26 H ARG 26 -3.266 -6.348 4.137 210 HA ARG 26 HA ARG 26 -2.916 -4.210 6.084 211 HB2 ARG 26 1HB ARG 26 -5.603 -5.544 5.721 212 HB3 ARG 26 2HB ARG 26 -5.247 -3.912 6.253 213 HG2 ARG 26 1HG ARG 26 -4.655 -4.830 3.409 214 HG3 ARG 26 2HG ARG 26 -6.227 -4.204 3.864 215 HD2 ARG 26 1HD ARG 26 -5.367 -2.138 3.418 216 HD3 ARG 26 2HD ARG 26 -4.514 -2.288 4.941 217 HE ARG 26 HE ARG 26 -3.168 -3.516 2.613 218 HH11 ARG 26 2HH2 ARG 26 -3.445 -0.675 4.713 219 HH12 ARG 26 1HH2 ARG 26 -1.889 -0.049 4.278 220 HH21 ARG 26 1HH ARG 26 -0.538 -1.250 2.705 221 H ASP 27 H ASP 27 -4.143 -4.910 8.276 222 HA ASP 27 HA ASP 27 -3.102 -7.544 8.852 223 HB2 ASP 27 1HB ASP 27 -2.337 -5.901 10.410 224 HB3 ASP 27 2HB ASP 27 -3.913 -5.142 10.519 225 HD2 ASP 27 HD ASP 27 -3.527 -8.753 12.059 226 H GLU 28 H GLU 28 -4.516 -9.272 9.271 227 HA GLU 28 HA GLU 28 -7.165 -9.087 8.644 228 HB2 GLU 28 1HB GLU 28 -6.217 -11.246 8.587 229 HB3 GLU 28 2HB GLU 28 -5.515 -11.097 10.185 230 HG2 GLU 28 1HG GLU 28 -7.468 -12.616 10.234 231 HG3 GLU 28 2HG GLU 28 -7.767 -11.198 11.220 232 HE2 GLU 28 HE GLU 28 -10.401 -11.077 10.472 233 H SER 29 H SER 29 -5.525 -8.835 11.841 234 HA SER 29 HA SER 29 -7.841 -8.863 13.359 235 HB2 SER 29 1HB SER 29 -5.513 -9.163 14.237 236 HB3 SER 29 2HB SER 29 -5.191 -7.466 13.940 237 HG SER 29 HG SER 29 -7.338 -7.288 15.361 238 H GLU 30 H GLU 30 -6.688 -6.574 11.084 239 HA GLU 30 HA GLU 30 -8.357 -4.524 12.323 240 HB2 GLU 30 1HB GLU 30 -5.706 -4.333 10.899 241 HB3 GLU 30 2HB GLU 30 -6.827 -2.995 10.746 242 HG2 GLU 30 1HG GLU 30 -6.338 -4.101 13.509 243 HG3 GLU 30 2HG GLU 30 -5.062 -3.148 12.777 244 HE2 GLU 30 HE GLU 30 -6.364 -0.258 13.365 245 H SER 31 H SER 31 -8.552 -6.871 10.140 246 HA SER 31 HA SER 31 -8.902 -6.048 7.679 247 HB2 SER 31 1HB SER 31 -9.759 -8.136 7.633 248 HB3 SER 31 2HB SER 31 -10.083 -8.086 9.354 249 HG SER 31 HG SER 31 -11.849 -7.909 7.263 250 H HIS 32 H HIS 32 -9.683 -4.106 6.924 251 HA HIS 32 HA HIS 32 -12.138 -3.113 8.169 252 HB2 HIS 32 1HB HIS 32 -11.463 -0.901 7.391 253 HB3 HIS 32 2HB HIS 32 -10.246 -1.617 8.430 254 HD1 HIS 32 1HD HIS 32 -10.000 -3.171 5.152 255 HD2 HIS 32 2HD HIS 32 -8.642 0.397 6.892 256 HE1 HIS 32 1HE HIS 32 -8.119 -2.316 3.655 257 H PHE 33 H PHE 33 -11.846 -1.257 5.522 258 HA PHE 33 HA PHE 33 -13.995 -2.116 4.187 259 HB2 PHE 33 1HB PHE 33 -11.387 -1.164 2.868 260 HB3 PHE 33 2HB PHE 33 -13.010 -0.859 2.282 261 HD1 PHE 33 1HD PHE 33 -14.482 0.736 3.498 262 HD2 PHE 33 2HD PHE 33 -10.404 0.214 4.550 263 HE1 PHE 33 1HE PHE 33 -14.530 2.904 4.761 264 HE2 PHE 33 2HE PHE 33 -10.452 2.383 5.813 265 HZ PHE 33 HZ PHE 33 -12.515 3.702 5.903 266 H LYS 34 H LYS 34 -14.188 -3.129 1.941 267 HA LYS 34 HA LYS 34 -12.243 -5.293 1.605 268 HB2 LYS 34 1HB LYS 34 -15.210 -5.516 2.000 269 HB3 LYS 34 2HB LYS 34 -14.404 -6.653 0.939 270 HG2 LYS 34 1HG LYS 34 -13.265 -7.680 2.665 271 HG3 LYS 34 2HG LYS 34 -13.026 -6.183 3.545 272 HD2 LYS 34 1HD LYS 34 -14.959 -6.431 4.758 273 HD3 LYS 34 2HD LYS 34 -15.872 -7.011 3.379 274 HE2 LYS 34 1HE LYS 34 -14.648 -9.241 3.601 275 HE3 LYS 34 2HE LYS 34 -13.927 -8.641 5.081 276 HZ1 LYS 34 2HZ LYS 34 -16.357 -8.198 5.777 277 HZ3 LYS 34 1HZ LYS 34 -15.850 -9.745 5.791 278 H THR 35 H THR 35 -13.428 -6.483 -0.652 279 HA THR 35 HA THR 35 -12.650 -4.619 -2.645 280 HB THR 35 HB THR 35 -14.128 -7.276 -2.974 281 HG1 THR 35 1HG THR 35 -12.352 -7.790 -1.681 282 HG21 THR 35 3HG2 THR 35 -11.935 -7.086 -4.720 283 HG22 THR 35 1HG2 THR 35 -13.637 -6.834 -5.173 284 HG23 THR 35 2HG2 THR 35 -12.617 -5.443 -4.736 285 H GLY 36 H GLY 36 -13.817 -3.449 -4.142 286 HA2 GLY 36 1HA GLY 36 -15.765 -2.788 -5.223 287 HA3 GLY 36 2HA GLY 36 -16.737 -3.582 -3.999 288 H ASP 37 H ASP 37 -14.620 -2.235 -1.991 289 HA ASP 37 HA ASP 37 -16.305 0.047 -1.595 290 HB2 ASP 37 1HB ASP 37 -14.425 -1.584 -0.013 291 HB3 ASP 37 2HB ASP 37 -14.206 0.129 0.284 292 HD2 ASP 37 HD ASP 37 -17.210 -2.054 1.473 293 H VAL 38 H VAL 38 -14.544 1.920 -0.436 294 HA VAL 38 HA VAL 38 -12.837 2.597 -2.724 295 HB VAL 38 HB VAL 38 -14.734 4.052 -1.078 296 HG11 VAL 38 1HG1 VAL 38 -11.997 5.320 -1.443 297 HG12 VAL 38 2HG1 VAL 38 -13.456 6.123 -0.816 298 HG13 VAL 38 3HG1 VAL 38 -12.704 4.798 0.105 299 HG21 VAL 38 3HG2 VAL 38 -13.374 4.344 -3.738 300 HG22 VAL 38 1HG2 VAL 38 -15.108 4.241 -3.346 301 HG23 VAL 38 2HG2 VAL 38 -14.212 5.747 -3.033 302 H LEU 39 H LEU 39 -10.695 3.420 -2.326 303 HA LEU 39 HA LEU 39 -9.714 2.782 0.369 304 HB2 LEU 39 1HB LEU 39 -9.082 1.506 -2.078 305 HB3 LEU 39 2HB LEU 39 -7.680 2.457 -1.628 306 HG LEU 39 HG LEU 39 -7.169 1.145 0.146 307 HD11 LEU 39 1HD1 LEU 39 -10.137 0.890 0.561 308 HD12 LEU 39 2HD1 LEU 39 -9.000 -0.188 1.406 309 HD13 LEU 39 3HD1 LEU 39 -8.894 1.574 1.637 310 HD21 LEU 39 3HD2 LEU 39 -7.045 -0.927 -0.676 311 HD22 LEU 39 1HD2 LEU 39 -8.814 -1.118 -0.718 312 HD23 LEU 39 2HD2 LEU 39 -7.975 -0.298 -2.057 313 H ARG 40 H ARG 40 -9.438 4.764 1.287 314 HA ARG 40 HA ARG 40 -8.790 6.998 -0.274 315 HB2 ARG 40 1HB ARG 40 -9.712 6.505 2.354 316 HB3 ARG 40 2HB ARG 40 -8.150 7.263 2.592 317 HG2 ARG 40 1HG ARG 40 -8.811 9.170 1.162 318 HG3 ARG 40 2HG ARG 40 -10.337 8.395 0.784 319 HD2 ARG 40 1HD ARG 40 -9.602 8.896 3.684 320 HD3 ARG 40 2HD ARG 40 -10.221 10.216 2.712 321 HE ARG 40 HE ARG 40 -11.891 7.876 2.398 322 HH11 ARG 40 2HH2 ARG 40 -11.173 10.498 4.671 323 HH12 ARG 40 1HH2 ARG 40 -12.737 10.450 5.413 324 HH21 ARG 40 1HH ARG 40 -14.357 8.862 4.637 325 H VAL 41 H VAL 41 -6.778 7.594 -1.024 326 HA VAL 41 HA VAL 41 -4.464 6.376 0.304 327 HB VAL 41 HB VAL 41 -3.310 6.867 -1.837 328 HG11 VAL 41 1HG1 VAL 41 -5.276 5.250 -3.059 329 HG12 VAL 41 2HG1 VAL 41 -3.808 4.723 -2.202 330 HG13 VAL 41 3HG1 VAL 41 -5.345 4.883 -1.319 331 HG21 VAL 41 3HG2 VAL 41 -4.302 7.829 -3.662 332 HG22 VAL 41 1HG2 VAL 41 -5.933 7.277 -3.210 333 HG23 VAL 41 2HG2 VAL 41 -5.200 8.668 -2.375 334 H GLY 42 H GLY 42 -2.881 7.655 1.214 335 HA2 GLY 42 1HA GLY 42 -3.170 10.573 0.850 336 HA3 GLY 42 2HA GLY 42 -3.024 9.856 2.442 337 H ARG 43 H ARG 43 -1.002 10.348 3.201 338 HA ARG 43 HA ARG 43 1.195 9.267 1.760 339 HB2 ARG 43 1HB ARG 43 0.763 11.702 0.879 340 HB3 ARG 43 2HB ARG 43 1.356 12.233 2.440 341 HG2 ARG 43 1HG ARG 43 3.426 10.717 1.974 342 HG3 ARG 43 2HG ARG 43 2.855 10.646 0.319 343 HD2 ARG 43 1HD ARG 43 2.920 13.143 0.182 344 HD3 ARG 43 2HD ARG 43 3.471 13.225 1.843 345 HE ARG 43 HE ARG 43 5.170 11.504 0.214 346 HH11 ARG 43 2HH2 ARG 43 4.547 14.877 1.101 347 HH12 ARG 43 1HH2 ARG 43 6.156 15.401 0.732 348 HH21 ARG 43 1HH ARG 43 7.754 13.807 -0.073 349 H PHE 44 H PHE 44 2.660 8.478 3.270 350 HA PHE 44 HA PHE 44 2.085 8.793 6.008 351 HB2 PHE 44 1HB PHE 44 3.459 7.043 4.337 352 HB3 PHE 44 2HB PHE 44 4.805 7.909 5.051 353 HD1 PHE 44 2HD PHE 44 5.077 7.894 7.551 354 HD2 PHE 44 1HD PHE 44 2.281 5.396 5.564 355 HE1 PHE 44 2HE PHE 44 4.945 6.426 9.583 356 HE2 PHE 44 1HE PHE 44 2.149 3.928 7.595 357 HZ PHE 44 HZ PHE 44 3.482 4.460 9.580 358 H GLU 45 H GLU 45 4.239 10.451 3.723 359 HA GLU 45 HA GLU 45 6.133 11.433 5.374 360 HB2 GLU 45 1HB GLU 45 5.079 12.040 2.770 361 HB3 GLU 45 2HB GLU 45 5.300 13.561 3.611 362 HG2 GLU 45 1HG GLU 45 7.494 11.466 3.680 363 HG3 GLU 45 2HG GLU 45 7.321 12.500 2.276 364 HE2 GLU 45 HE GLU 45 8.213 14.591 2.548 365 H ASP 46 H ASP 46 2.824 12.784 4.770 366 HA ASP 46 HA ASP 46 2.260 13.517 7.255 367 HB2 ASP 46 1HB ASP 46 2.768 16.161 6.868 368 HB3 ASP 46 2HB ASP 46 3.844 15.102 7.758 369 HD2 ASP 46 HD ASP 46 6.381 15.502 6.223 370 H ASP 47 H ASP 47 2.385 14.364 3.804 371 HA ASP 47 HA ASP 47 0.464 16.192 3.508 372 HB2 ASP 47 1HB ASP 47 1.767 14.270 1.878 373 HB3 ASP 47 2HB ASP 47 0.059 14.005 1.592 374 HD2 ASP 47 HD ASP 47 0.319 17.698 1.379 375 H GLY 48 H GLY 48 0.096 12.623 3.992 376 HA2 GLY 48 1HA GLY 48 -1.628 11.406 4.781 377 HA3 GLY 48 2HA GLY 48 -2.435 12.890 5.246 378 H TYR 49 H TYR 49 -4.504 12.120 4.517 379 HA TYR 49 HA TYR 49 -5.236 10.908 2.278 380 HB2 TYR 49 1HB TYR 49 -6.842 11.761 3.921 381 HB3 TYR 49 2HB TYR 49 -6.276 13.407 3.720 382 HD1 TYR 49 2HD TYR 49 -7.605 10.733 1.429 383 HD2 TYR 49 1HD TYR 49 -7.824 14.805 2.725 384 HE1 TYR 49 2HE TYR 49 -9.463 11.175 -0.248 385 HE2 TYR 49 1HE TYR 49 -9.682 15.232 1.043 386 HH TYR 49 HH TYR 49 -10.369 13.105 -1.462 387 H PHE 50 H PHE 50 -4.924 11.122 0.121 388 HA PHE 50 HA PHE 50 -4.326 13.829 -0.848 389 HB2 PHE 50 1HB PHE 50 -2.775 11.489 -0.870 390 HB3 PHE 50 2HB PHE 50 -3.558 11.400 -2.435 391 HD1 PHE 50 1HD PHE 50 -2.243 14.319 -0.512 392 HD2 PHE 50 2HD PHE 50 -1.992 11.966 -4.035 393 HE1 PHE 50 1HE PHE 50 -0.543 15.908 -1.452 394 HE2 PHE 50 2HE PHE 50 -0.292 13.555 -4.975 395 HZ PHE 50 HZ PHE 50 0.412 15.507 -3.673 396 H CYS 51 H CYS 51 -5.571 10.578 -1.914 397 HA CYS 51 HA CYS 51 -7.781 11.938 -3.183 398 HB2 CYS 51 1HB CYS 51 -6.102 10.055 -4.855 399 HB3 CYS 51 2HB CYS 51 -7.445 11.055 -5.372 400 HG CYS 51 HG CYS 51 -4.453 11.932 -4.269 401 H THR 52 H THR 52 -9.157 9.952 -4.309 402 HA THR 52 HA THR 52 -9.059 7.717 -2.391 403 HB THR 52 HB THR 52 -11.630 8.746 -3.629 404 HG1 THR 52 1HG THR 52 -11.198 10.613 -2.521 405 HG21 THR 52 3HG2 THR 52 -10.797 6.975 -1.414 406 HG22 THR 52 1HG2 THR 52 -11.920 8.247 -0.877 407 HG23 THR 52 2HG2 THR 52 -12.393 7.135 -2.184 408 H ILE 53 H ILE 53 -9.448 5.641 -3.162 409 HA ILE 53 HA ILE 53 -9.816 5.439 -6.057 410 HB ILE 53 HB ILE 53 -8.022 3.972 -6.344 411 HG12 ILE 53 1HG1 ILE 53 -7.416 3.957 -3.382 412 HG13 ILE 53 2HG1 ILE 53 -8.463 2.767 -4.129 413 HG21 ILE 53 1HG2 ILE 53 -6.217 5.369 -6.076 414 HG22 ILE 53 2HG2 ILE 53 -7.567 6.513 -5.887 415 HG23 ILE 53 3HG2 ILE 53 -6.718 5.894 -4.451 416 HD11 ILE 53 3HD1 ILE 53 -6.662 2.073 -5.663 417 HD12 ILE 53 1HD1 ILE 53 -5.598 3.345 -5.015 418 HD13 ILE 53 2HD1 ILE 53 -6.093 1.985 -3.979 419 H GLU 54 H GLU 54 -10.182 2.945 -6.587 420 HA GLU 54 HA GLU 54 -11.947 1.964 -4.479 421 HB2 GLU 54 1HB GLU 54 -12.482 2.575 -7.271 422 HB3 GLU 54 2HB GLU 54 -12.772 0.872 -6.980 423 HG2 GLU 54 1HG GLU 54 -14.219 1.463 -5.015 424 HG3 GLU 54 2HG GLU 54 -13.945 3.165 -5.335 425 HE2 GLU 54 HE GLU 54 -16.265 0.722 -7.280 426 H VAL 55 H VAL 55 -12.087 -0.379 -4.223 427 HA VAL 55 HA VAL 55 -9.577 -1.638 -4.664 428 HB VAL 55 HB VAL 55 -11.944 -3.229 -3.868 429 HG11 VAL 55 1HG1 VAL 55 -10.294 -3.758 -1.960 430 HG12 VAL 55 2HG1 VAL 55 -9.877 -4.312 -3.600 431 HG13 VAL 55 3HG1 VAL 55 -9.097 -2.861 -2.926 432 HG21 VAL 55 3HG2 VAL 55 -11.182 -0.670 -2.525 433 HG22 VAL 55 1HG2 VAL 55 -12.769 -1.464 -2.666 434 HG23 VAL 55 2HG2 VAL 55 -11.573 -2.067 -1.494 435 H THR 56 H THR 56 -9.303 -3.744 -5.798 436 HA THR 56 HA THR 56 -11.173 -4.013 -8.055 437 HB THR 56 HB THR 56 -8.917 -2.772 -8.518 438 HG1 THR 56 1HG THR 56 -10.211 -3.739 -10.197 439 HG21 THR 56 3HG2 THR 56 -7.009 -4.268 -8.959 440 HG22 THR 56 1HG2 THR 56 -7.464 -4.420 -7.245 441 HG23 THR 56 2HG2 THR 56 -7.949 -5.676 -8.409 442 H ALA 57 H ALA 57 -8.702 -5.533 -5.926 443 HA ALA 57 HA ALA 57 -10.262 -7.946 -5.951 444 HB1 ALA 57 3HB ALA 57 -8.446 -7.766 -7.971 445 HB2 ALA 57 1HB ALA 57 -7.420 -8.439 -6.682 446 HB3 ALA 57 2HB ALA 57 -8.897 -9.297 -7.183 447 H THR 58 H THR 58 -9.092 -9.630 -4.460 448 HA THR 58 HA THR 58 -7.296 -8.375 -2.555 449 HB THR 58 HB THR 58 -10.187 -9.152 -2.001 450 HG1 THR 58 1HG THR 58 -9.981 -7.022 -1.009 451 HG21 THR 58 3HG2 THR 58 -9.191 -8.518 0.465 452 HG22 THR 58 1HG2 THR 58 -9.376 -10.200 -0.088 453 HG23 THR 58 2HG2 THR 58 -7.793 -9.394 -0.203 454 H SER 59 H SER 59 -6.186 -9.878 -1.202 455 HA SER 59 HA SER 59 -6.761 -12.643 -1.583 456 HB2 SER 59 1HB SER 59 -3.992 -12.534 -2.201 457 HB3 SER 59 2HB SER 59 -5.296 -13.062 -3.246 458 HG SER 59 HG SER 59 -4.975 -10.258 -3.018 459 H THR 60 H THR 60 -4.949 -13.988 -0.340 460 HA THR 60 HA THR 60 -4.168 -12.393 2.013 461 HB THR 60 HB THR 60 -4.317 -14.969 2.921 462 HG1 THR 60 1HG THR 60 -5.795 -16.067 1.612 463 HG21 THR 60 3HG2 THR 60 -6.341 -14.376 3.954 464 HG22 THR 60 1HG2 THR 60 -5.750 -12.762 3.492 465 HG23 THR 60 2HG2 THR 60 -6.969 -13.584 2.489 466 H VAL 61 H VAL 61 -2.073 -11.853 1.751 467 HA VAL 61 HA VAL 61 -0.195 -14.023 1.683 468 HB VAL 61 HB VAL 61 0.416 -12.021 -0.388 469 HG11 VAL 61 1HG1 VAL 61 1.526 -14.354 0.383 470 HG12 VAL 61 2HG1 VAL 61 0.461 -14.949 -0.914 471 HG13 VAL 61 3HG1 VAL 61 1.677 -13.698 -1.265 472 HG21 VAL 61 3HG2 VAL 61 -1.023 -12.942 -2.095 473 HG22 VAL 61 1HG2 VAL 61 -1.709 -14.116 -0.946 474 HG23 VAL 61 2HG2 VAL 61 -2.030 -12.377 -0.740 475 H THR 62 H THR 62 2.148 -12.976 1.735 476 HA THR 62 HA THR 62 2.094 -11.142 3.918 477 HB THR 62 HB THR 62 4.628 -11.712 2.418 478 HG1 THR 62 1HG THR 62 4.243 -13.902 2.488 479 HG21 THR 62 3HG2 THR 62 3.841 -11.142 5.106 480 HG22 THR 62 1HG2 THR 62 4.366 -12.842 5.097 481 HG23 THR 62 2HG2 THR 62 5.473 -11.566 4.536 482 H LEU 63 H LEU 63 4.527 -9.659 3.104 483 HA LEU 63 HA LEU 63 3.119 -7.649 1.511 484 HB2 LEU 63 1HB LEU 63 4.922 -6.142 2.437 485 HB3 LEU 63 2HB LEU 63 3.706 -6.728 3.555 486 HG LEU 63 HG LEU 63 5.836 -8.591 3.667 487 HD11 LEU 63 1HD1 LEU 63 6.768 -5.851 3.130 488 HD12 LEU 63 2HD1 LEU 63 7.472 -6.606 4.580 489 HD13 LEU 63 3HD1 LEU 63 7.619 -7.409 2.998 490 HD21 LEU 63 3HD2 LEU 63 5.052 -8.446 5.739 491 HD22 LEU 63 1HD2 LEU 63 6.002 -6.953 5.928 492 HD23 LEU 63 2HD2 LEU 63 4.300 -6.866 5.414 493 H ASP 64 H ASP 64 6.572 -8.683 1.993 494 HA ASP 64 HA ASP 64 7.411 -7.770 -0.440 495 HB2 ASP 64 1HB ASP 64 8.610 -8.919 1.715 496 HB3 ASP 64 2HB ASP 64 8.634 -10.299 0.635 497 HD2 ASP 64 HD ASP 64 11.637 -9.190 -0.369 498 H THR 65 H THR 65 5.231 -10.303 0.271 499 HA THR 65 HA THR 65 5.997 -12.131 -1.800 500 HB THR 65 HB THR 65 3.497 -12.881 -1.133 501 HG1 THR 65 1HG THR 65 2.864 -11.182 0.191 502 HG21 THR 65 3HG2 THR 65 5.464 -12.970 1.167 503 HG22 THR 65 1HG2 THR 65 4.404 -14.258 0.549 504 HG23 THR 65 2HG2 THR 65 5.883 -13.821 -0.339 505 H LEU 66 H LEU 66 4.867 -9.018 -1.970 506 HA LEU 66 HA LEU 66 4.239 -9.241 -4.679 507 HB2 LEU 66 1HB LEU 66 1.807 -8.541 -4.471 508 HB3 LEU 66 2HB LEU 66 2.201 -10.235 -4.253 509 HG LEU 66 HG LEU 66 2.275 -9.505 -1.681 510 HD11 LEU 66 1HD1 LEU 66 1.703 -7.098 -2.521 511 HD12 LEU 66 2HD1 LEU 66 0.041 -7.730 -2.607 512 HD13 LEU 66 3HD1 LEU 66 0.920 -7.747 -1.060 513 HD21 LEU 66 3HD2 LEU 66 -0.128 -10.239 -3.357 514 HD22 LEU 66 1HD2 LEU 66 0.919 -11.302 -2.386 515 HD23 LEU 66 2HD2 LEU 66 -0.178 -10.156 -1.579 516 H THR 67 H THR 67 3.755 -7.482 -1.576 517 HA THR 67 HA THR 67 3.345 -4.949 -2.437 518 HB THR 67 HB THR 67 3.776 -6.110 -0.048 519 HG1 THR 67 1HG THR 67 3.554 -3.946 0.594 520 HG21 THR 67 3HG2 THR 67 5.925 -6.032 0.735 521 HG22 THR 67 1HG2 THR 67 6.446 -5.735 -0.941 522 HG23 THR 67 2HG2 THR 67 6.126 -4.364 0.148 523 H GLU 68 H GLU 68 4.684 -3.086 -2.858 524 HA GLU 68 HA GLU 68 6.404 -3.459 -4.900 525 HB2 GLU 68 1HB GLU 68 5.792 -1.246 -3.009 526 HB3 GLU 68 2HB GLU 68 7.345 -1.106 -3.807 527 HG2 GLU 68 1HG GLU 68 5.833 -1.796 -5.962 528 HG3 GLU 68 2HG GLU 68 4.586 -1.039 -4.991 529 HE2 GLU 68 HE GLU 68 7.924 -0.382 -5.746 530 H LYS 69 H LYS 69 6.981 -3.934 -1.477 531 HA LYS 69 HA LYS 69 9.657 -3.464 -1.225 532 HB2 LYS 69 1HB LYS 69 8.037 -4.145 0.563 533 HB3 LYS 69 2HB LYS 69 8.136 -5.793 -0.022 534 HG2 LYS 69 1HG LYS 69 10.741 -5.487 0.240 535 HG3 LYS 69 2HG LYS 69 10.325 -4.112 1.244 536 HD2 LYS 69 1HD LYS 69 8.796 -5.698 2.581 537 HD3 LYS 69 2HD LYS 69 9.518 -7.021 1.686 538 HE2 LYS 69 1HE LYS 69 11.458 -5.099 2.911 539 HE3 LYS 69 2HE LYS 69 10.521 -6.045 4.050 540 HZ1 LYS 69 2HZ LYS 69 11.659 -7.897 3.486 541 HZ3 LYS 69 1HZ LYS 69 12.734 -6.932 2.735 542 H HIS 70 H HIS 70 7.986 -6.004 -3.043 543 HA HIS 70 HA HIS 70 10.245 -7.681 -3.287 544 HB2 HIS 70 1HB HIS 70 8.160 -8.708 -3.578 545 HB3 HIS 70 2HB HIS 70 7.580 -7.464 -4.667 546 HD1 HIS 70 1HD HIS 70 10.649 -9.784 -4.801 547 HD2 HIS 70 2HD HIS 70 7.394 -8.561 -7.148 548 HE1 HIS 70 1HE HIS 70 10.891 -10.983 -7.041 549 H ALA 71 H ALA 71 8.656 -5.304 -5.531 550 HA ALA 71 HA ALA 71 10.529 -5.535 -7.565 551 HB1 ALA 71 3HB ALA 71 8.855 -3.134 -6.722 552 HB2 ALA 71 1HB ALA 71 9.602 -3.380 -8.318 553 HB3 ALA 71 2HB ALA 71 8.305 -4.467 -7.765 554 H GLU 72 H GLU 72 10.490 -3.585 -4.551 555 HA GLU 72 HA GLU 72 12.740 -2.066 -5.284 556 HB2 GLU 72 1HB GLU 72 10.819 -1.907 -3.314 557 HB3 GLU 72 2HB GLU 72 12.199 -2.455 -2.384 558 HG2 GLU 72 1HG GLU 72 13.469 -0.532 -2.858 559 HG3 GLU 72 2HG GLU 72 12.611 -0.200 -4.350 560 HE2 GLU 72 HE GLU 72 10.033 1.390 -3.122 561 H GLN 73 H GLN 73 12.209 -5.057 -3.337 562 HA GLN 73 HA GLN 73 14.685 -5.331 -2.274 563 HB2 GLN 73 1HB GLN 73 12.381 -7.011 -2.774 564 HB3 GLN 73 2HB GLN 73 13.832 -7.937 -3.104 565 HG2 GLN 73 1HG GLN 73 14.502 -6.595 -0.748 566 HG3 GLN 73 2HG GLN 73 12.795 -6.920 -0.522 567 HE21 GLN 73 2HE2 GLN 73 15.257 -9.751 0.462 568 HE22 GLN 73 1HE2 GLN 73 15.419 -8.029 0.560 569 H GLU 74 H GLU 74 13.568 -6.044 -5.607 570 HA GLU 74 HA GLU 74 16.224 -7.008 -6.242 571 HB2 GLU 74 1HB GLU 74 15.151 -7.583 -8.471 572 HB3 GLU 74 2HB GLU 74 14.474 -8.421 -7.089 573 HG2 GLU 74 1HG GLU 74 12.486 -7.156 -7.111 574 HG3 GLU 74 2HG GLU 74 13.235 -5.794 -7.921 575 HE2 GLU 74 HE GLU 74 11.759 -5.952 -9.961 576 H ASN 75 H ASN 75 15.653 -4.151 -5.571 577 HA ASN 75 HA ASN 75 16.752 -3.071 -8.014 578 HB2 ASN 75 1HB ASN 75 14.112 -2.366 -6.829 579 HB3 ASN 75 2HB ASN 75 15.132 -0.972 -7.125 580 HD21 ASN 75 2HD2 ASN 75 13.018 -2.435 -10.100 581 HD22 ASN 75 1HD2 ASN 75 12.707 -2.526 -8.398 582 H MET 76 H MET 76 15.472 -2.073 -4.739 583 HA MET 76 HA MET 76 17.837 -0.469 -4.366 584 HB2 MET 76 1HB MET 76 15.393 -0.899 -2.558 585 HB3 MET 76 2HB MET 76 16.594 0.362 -2.360 586 HG2 MET 76 1HG MET 76 14.895 0.069 -4.882 587 HG3 MET 76 2HG MET 76 14.427 1.080 -3.529 588 HE1 MET 76 3HE MET 76 16.663 2.388 -6.984 589 HE2 MET 76 1HE MET 76 15.682 0.928 -6.709 590 HE3 MET 76 2HE MET 76 14.952 2.541 -6.517 591 H THR 77 H THR 77 18.559 -0.498 -1.820 592 HA THR 77 HA THR 77 19.498 -3.217 -1.422 593 HB THR 77 HB THR 77 21.156 -1.442 -1.307 594 HG1 THR 77 1HG THR 77 21.861 -2.062 0.764 595 HG21 THR 77 3HG2 THR 77 20.531 0.649 -0.624 596 HG22 THR 77 1HG2 THR 77 18.987 0.027 0.004 597 HG23 THR 77 2HG2 THR 77 20.439 0.009 1.034 598 H LEU 78 H LEU 78 19.729 -3.781 1.094 599 HA LEU 78 HA LEU 78 17.100 -4.330 1.907 600 HB2 LEU 78 1HB LEU 78 19.764 -5.070 2.608 601 HB3 LEU 78 2HB LEU 78 18.926 -4.605 4.075 602 HG LEU 78 HG LEU 78 17.040 -6.202 2.948 603 HD11 LEU 78 1HD1 LEU 78 19.385 -6.706 1.414 604 HD12 LEU 78 2HD1 LEU 78 19.069 -8.136 2.425 605 HD13 LEU 78 3HD1 LEU 78 17.803 -7.518 1.338 606 HD21 LEU 78 3HD2 LEU 78 17.846 -6.319 5.248 607 HD22 LEU 78 1HD2 LEU 78 17.782 -7.938 4.509 608 HD23 LEU 78 2HD2 LEU 78 19.345 -7.106 4.697 609 H THR 79 H THR 79 19.493 -1.808 2.793 610 HA THR 79 HA THR 79 18.186 -0.809 5.036 611 HB THR 79 HB THR 79 20.202 0.123 3.007 612 HG1 THR 79 1HG THR 79 21.367 -0.009 4.937 613 HG21 THR 79 3HG2 THR 79 20.344 2.325 4.272 614 HG22 THR 79 1HG2 THR 79 18.900 2.200 3.240 615 HG23 THR 79 2HG2 THR 79 18.762 1.953 4.997 616 H GLU 80 H GLU 80 17.934 0.335 1.599 617 HA GLU 80 HA GLU 80 16.038 2.231 2.087 618 HB2 GLU 80 1HB GLU 80 17.174 0.874 -0.213 619 HB3 GLU 80 2HB GLU 80 15.452 1.081 -0.462 620 HG2 GLU 80 1HG GLU 80 15.870 3.549 0.381 621 HG3 GLU 80 2HG GLU 80 17.553 3.214 0.025 622 HE2 GLU 80 HE GLU 80 14.413 3.182 -1.418 623 H LEU 81 H LEU 81 15.633 -1.289 1.382 624 HA LEU 81 HA LEU 81 12.880 -1.311 1.150 625 HB2 LEU 81 1HB LEU 81 14.936 -3.329 1.980 626 HB3 LEU 81 2HB LEU 81 13.231 -3.725 2.064 627 HG LEU 81 HG LEU 81 14.880 -4.055 -0.121 628 HD11 LEU 81 1HD1 LEU 81 11.875 -3.775 -0.302 629 HD12 LEU 81 2HD1 LEU 81 12.948 -4.833 -1.250 630 HD13 LEU 81 3HD1 LEU 81 12.684 -5.153 0.481 631 HD21 LEU 81 3HD2 LEU 81 14.232 -2.531 -1.845 632 HD22 LEU 81 1HD2 LEU 81 13.082 -1.706 -0.765 633 HD23 LEU 81 2HD2 LEU 81 14.833 -1.577 -0.468 634 H LYS 82 H LYS 82 15.002 -1.335 4.047 635 HA LYS 82 HA LYS 82 12.875 -1.800 5.857 636 HB2 LYS 82 1HB LYS 82 15.598 -1.913 5.990 637 HB3 LYS 82 2HB LYS 82 15.297 -0.403 6.826 638 HG2 LYS 82 1HG LYS 82 14.813 -1.647 8.665 639 HG3 LYS 82 2HG LYS 82 13.317 -2.089 7.866 640 HD2 LYS 82 1HD LYS 82 14.653 -3.986 6.717 641 HD3 LYS 82 2HD LYS 82 15.951 -3.623 7.837 642 HE2 LYS 82 1HE LYS 82 14.493 -4.093 9.766 643 HE3 LYS 82 2HE LYS 82 13.102 -4.289 8.718 644 HZ1 LYS 82 2HZ LYS 82 15.200 -5.998 7.861 645 HZ3 LYS 82 1HZ LYS 82 13.703 -6.410 8.355 646 H LYS 83 H LYS 83 14.279 1.054 4.270 647 HA LYS 83 HA LYS 83 13.163 2.958 6.016 648 HB2 LYS 83 1HB LYS 83 14.910 2.956 3.851 649 HB3 LYS 83 2HB LYS 83 13.518 3.831 3.246 650 HG2 LYS 83 1HG LYS 83 14.394 4.531 6.025 651 HG3 LYS 83 2HG LYS 83 15.493 4.989 4.739 652 HD2 LYS 83 1HD LYS 83 13.876 6.387 3.679 653 HD3 LYS 83 2HD LYS 83 12.534 5.625 4.509 654 HE2 LYS 83 1HE LYS 83 13.114 6.665 6.616 655 HE3 LYS 83 2HE LYS 83 14.686 7.161 6.023 656 HZ1 LYS 83 2HZ LYS 83 13.760 8.881 4.819 657 HZ3 LYS 83 1HZ LYS 83 12.668 8.827 6.026 658 H VAL 84 H VAL 84 12.080 1.647 2.808 659 HA VAL 84 HA VAL 84 9.660 3.088 2.838 660 HB VAL 84 HB VAL 84 9.104 1.808 0.928 661 HG11 VAL 84 1HG1 VAL 84 10.766 2.544 -0.425 662 HG12 VAL 84 2HG1 VAL 84 11.385 3.268 1.079 663 HG13 VAL 84 3HG1 VAL 84 12.038 1.715 0.505 664 HG21 VAL 84 3HG2 VAL 84 10.248 -0.250 0.263 665 HG22 VAL 84 1HG2 VAL 84 11.262 -0.175 1.724 666 HG23 VAL 84 2HG2 VAL 84 9.507 -0.433 1.871 667 H ILE 85 H ILE 85 10.647 -0.190 3.950 668 HA ILE 85 HA ILE 85 8.073 -1.116 4.501 669 HB ILE 85 HB ILE 85 10.845 -1.827 5.355 670 HG12 ILE 85 1HG1 ILE 85 9.579 -2.475 3.148 671 HG13 ILE 85 2HG1 ILE 85 10.595 -3.639 3.976 672 HG21 ILE 85 1HG2 ILE 85 9.519 -3.858 6.481 673 HG22 ILE 85 2HG2 ILE 85 10.010 -2.405 7.384 674 HG23 ILE 85 3HG2 ILE 85 8.341 -2.559 6.785 675 HD11 ILE 85 3HD1 ILE 85 7.816 -3.602 4.995 676 HD12 ILE 85 1HD1 ILE 85 7.943 -4.051 3.277 677 HD13 ILE 85 2HD1 ILE 85 8.829 -4.982 4.508 678 H ALA 86 H ALA 86 10.389 0.890 6.365 679 HA ALA 86 HA ALA 86 8.774 0.816 8.725 680 HB1 ALA 86 3HB ALA 86 10.440 2.309 9.615 681 HB2 ALA 86 1HB ALA 86 11.291 1.100 8.624 682 HB3 ALA 86 2HB ALA 86 11.011 2.737 7.984 683 H ASP 87 H ASP 87 8.884 2.640 5.725 684 HA ASP 87 HA ASP 87 7.514 4.879 6.827 685 HB2 ASP 87 1HB ASP 87 8.957 4.288 4.454 686 HB3 ASP 87 2HB ASP 87 7.316 4.581 3.914 687 HD2 ASP 87 HD ASP 87 10.016 6.051 4.121 688 H ILE 88 H ILE 88 6.799 1.764 5.296 689 HA ILE 88 HA ILE 88 4.064 2.513 4.701 690 HB ILE 88 HB ILE 88 5.684 1.010 3.320 691 HG12 ILE 88 1HG1 ILE 88 2.950 -0.173 3.576 692 HG13 ILE 88 2HG1 ILE 88 3.074 1.527 3.168 693 HG21 ILE 88 1HG2 ILE 88 4.563 -0.984 5.307 694 HG22 ILE 88 2HG2 ILE 88 5.366 -1.401 3.774 695 HG23 ILE 88 3HG2 ILE 88 6.274 -0.564 5.055 696 HD11 ILE 88 3HD1 ILE 88 5.007 0.342 1.522 697 HD12 ILE 88 1HD1 ILE 88 3.671 -0.833 1.520 698 HD13 ILE 88 2HD1 ILE 88 3.376 0.850 1.021 699 H TYR 89 H TYR 89 5.792 0.026 6.715 700 HA TYR 89 HA TYR 89 4.478 0.476 9.049 701 HB2 TYR 89 1HB TYR 89 2.695 -1.378 8.877 702 HB3 TYR 89 2HB TYR 89 2.357 0.012 7.865 703 HD1 TYR 89 2HD TYR 89 4.048 -3.332 7.701 704 HD2 TYR 89 1HD TYR 89 1.831 -0.323 5.619 705 HE1 TYR 89 2HE TYR 89 3.895 -4.845 5.663 706 HE2 TYR 89 1HE TYR 89 1.685 -1.846 3.588 707 HH TYR 89 HH TYR 89 2.643 -3.662 2.631 708 HA PRO 90 HA PRO 90 7.198 -2.757 9.999 709 HB2 PRO 90 2HB PRO 90 7.645 -1.861 12.072 710 HB3 PRO 90 1HB PRO 90 6.598 -3.148 12.636 711 HG2 PRO 90 1HG PRO 90 4.850 -1.695 13.021 712 HG3 PRO 90 2HG PRO 90 6.034 -0.412 12.863 713 HD2 PRO 90 1HD PRO 90 3.834 -0.945 11.101 714 HD3 PRO 90 2HD PRO 90 5.084 0.263 10.881 715 H GLY 91 H GLY 91 7.099 -4.929 11.590 716 HA2 GLY 91 1HA GLY 91 6.247 -7.007 11.740 717 HA3 GLY 91 2HA GLY 91 4.666 -6.352 11.364 718 H GLN 92 H GLN 92 7.168 -8.370 10.264 719 HA GLN 92 HA GLN 92 6.193 -8.113 7.526 720 HB2 GLN 92 1HB GLN 92 8.522 -7.593 7.493 721 HB3 GLN 92 2HB GLN 92 8.918 -8.872 8.624 722 HG2 GLN 92 1HG GLN 92 7.634 -10.169 6.438 723 HG3 GLN 92 2HG GLN 92 8.710 -8.993 5.712 724 HE21 GLN 92 2HE2 GLN 92 10.218 -12.006 8.140 725 HE22 GLN 92 1HE2 GLN 92 8.614 -11.387 8.344 726 H THR 93 H THR 93 4.367 -9.521 8.029 727 HA THR 93 HA THR 93 5.091 -12.308 7.790 728 HB THR 93 HB THR 93 4.018 -13.019 9.833 729 HG1 THR 93 1HG THR 93 2.221 -11.607 9.885 730 HG21 THR 93 3HG2 THR 93 5.436 -10.388 10.512 731 HG22 THR 93 1HG2 THR 93 5.115 -11.725 11.642 732 HG23 THR 93 2HG2 THR 93 6.258 -11.952 10.296 733 H GLN 94 H GLN 94 3.332 -13.648 7.077 734 HA GLN 94 HA GLN 94 1.888 -12.720 5.107 735 HB2 GLN 94 1HB GLN 94 1.288 -14.884 7.123 736 HB3 GLN 94 2HB GLN 94 0.084 -14.520 5.903 737 HG2 GLN 94 1HG GLN 94 1.350 -15.397 4.194 738 HG3 GLN 94 2HG GLN 94 2.850 -14.753 4.833 739 HE21 GLN 94 2HE2 GLN 94 2.380 -18.591 5.056 740 HE22 GLN 94 1HE2 GLN 94 1.871 -17.456 3.851 741 H PHE 95 H PHE 95 -0.186 -11.782 4.689 742 HA PHE 95 HA PHE 95 -1.894 -11.101 6.871 743 HB2 PHE 95 1HB PHE 95 0.158 -9.248 5.705 744 HB3 PHE 95 2HB PHE 95 -1.454 -8.563 5.752 745 HD1 PHE 95 2HD PHE 95 -2.459 -9.807 8.284 746 HD2 PHE 95 1HD PHE 95 1.277 -8.022 7.351 747 HE1 PHE 95 2HE PHE 95 -2.138 -9.215 10.702 748 HE2 PHE 95 1HE PHE 95 1.598 -7.431 9.770 749 HZ PHE 95 HZ PHE 95 -0.113 -8.034 11.416 750 H TYR 96 H TYR 96 -3.566 -9.277 5.868 751 HA TYR 96 HA TYR 96 -4.589 -10.601 3.512 752 HB2 TYR 96 1HB TYR 96 -5.452 -8.986 5.813 753 HB3 TYR 96 2HB TYR 96 -6.047 -8.233 4.346 754 HD1 TYR 96 1HD TYR 96 -5.774 -11.721 5.732 755 HD2 TYR 96 2HD TYR 96 -8.193 -8.822 3.721 756 HE1 TYR 96 1HE TYR 96 -7.705 -13.373 5.659 757 HE2 TYR 96 2HE TYR 96 -10.117 -10.483 3.654 758 HH TYR 96 HH TYR 96 -10.797 -12.466 4.151 759 H VAL 97 H VAL 97 -4.217 -9.934 1.461 760 HA VAL 97 HA VAL 97 -3.177 -7.219 1.123 761 HB VAL 97 HB VAL 97 -3.058 -9.698 -0.602 762 HG11 VAL 97 1HG1 VAL 97 -3.151 -7.170 -1.606 763 HG12 VAL 97 2HG1 VAL 97 -1.403 -7.352 -1.326 764 HG13 VAL 97 3HG1 VAL 97 -2.265 -8.517 -2.360 765 HG21 VAL 97 3HG2 VAL 97 -1.326 -8.550 1.452 766 HG22 VAL 97 1HG2 VAL 97 -1.290 -10.160 0.694 767 HG23 VAL 97 2HG2 VAL 97 -0.480 -8.786 -0.096 768 H ILE 98 H ILE 98 -4.232 -5.702 -0.143 769 HA ILE 98 HA ILE 98 -6.714 -6.617 -1.412 770 HB ILE 98 HB ILE 98 -6.512 -3.971 -0.010 771 HG12 ILE 98 1HG1 ILE 98 -5.963 -5.569 1.713 772 HG13 ILE 98 2HG1 ILE 98 -7.598 -4.988 1.958 773 HG21 ILE 98 1HG2 ILE 98 -9.078 -5.342 -0.055 774 HG22 ILE 98 2HG2 ILE 98 -8.636 -3.714 -0.621 775 HG23 ILE 98 3HG2 ILE 98 -8.407 -5.120 -1.688 776 HD11 ILE 98 3HD1 ILE 98 -7.601 -7.336 0.213 777 HD12 ILE 98 1HD1 ILE 98 -6.779 -7.680 1.754 778 HD13 ILE 98 2HD1 ILE 98 -8.454 -7.077 1.754 779 H GLU 99 H GLU 99 -6.735 -6.169 -3.545 780 HA GLU 99 HA GLU 99 -4.759 -4.272 -4.476 781 HB2 GLU 99 1HB GLU 99 -5.269 -6.742 -5.385 782 HB3 GLU 99 2HB GLU 99 -6.473 -5.903 -6.343 783 HG2 GLU 99 1HG GLU 99 -4.775 -4.437 -7.323 784 HG3 GLU 99 2HG GLU 99 -3.547 -5.041 -6.229 785 HE2 GLU 99 HE GLU 99 -2.347 -6.086 -8.362 786 H PHE 100 H PHE 100 -5.354 -2.642 -6.143 787 HA PHE 100 HA PHE 100 -8.191 -2.038 -6.285 788 HB2 PHE 100 1HB PHE 100 -7.639 0.342 -5.584 789 HB3 PHE 100 2HB PHE 100 -7.345 -0.807 -4.294 790 HD1 PHE 100 1HD PHE 100 -5.501 0.737 -7.156 791 HD2 PHE 100 2HD PHE 100 -5.365 -0.616 -3.136 792 HE1 PHE 100 1HE PHE 100 -3.138 1.561 -6.959 793 HE2 PHE 100 2HE PHE 100 -3.003 0.209 -2.939 794 HZ PHE 100 HZ PHE 100 -1.917 1.287 -4.852 795 H LYS 101 H LYS 101 -8.644 -0.294 -7.924 796 HA LYS 101 HA LYS 101 -6.450 -0.058 -9.856 797 HB2 LYS 101 1HB LYS 101 -9.239 -1.090 -10.297 798 HB3 LYS 101 2HB LYS 101 -8.414 -0.238 -11.587 799 HG2 LYS 101 1HG LYS 101 -6.404 -1.918 -10.824 800 HG3 LYS 101 2HG LYS 101 -7.778 -2.898 -10.354 801 HD2 LYS 101 1HD LYS 101 -8.587 -3.081 -12.562 802 HD3 LYS 101 2HD LYS 101 -7.800 -1.606 -13.087 803 HE2 LYS 101 1HE LYS 101 -5.563 -2.955 -12.526 804 HE3 LYS 101 2HE LYS 101 -6.601 -4.357 -12.695 805 HZ1 LYS 101 2HZ LYS 101 -5.703 -3.857 -14.839 806 HZ3 LYS 101 1HZ LYS 101 -6.105 -2.282 -14.756 807 H CYS 102 H CYS 102 -6.438 1.895 -11.088 808 HA CYS 102 HA CYS 102 -7.850 4.016 -9.712 809 HB2 CYS 102 1HB CYS 102 -5.560 4.508 -9.955 810 HB3 CYS 102 2HB CYS 102 -5.508 3.945 -11.614 811 HG CYS 102 HG CYS 102 -6.702 5.816 -12.742 812 H LEU 103 H LEU 103 -9.699 4.920 -10.568 813 HA LEU 103 HA LEU 103 -10.498 4.031 -13.214 814 HB2 LEU 103 1HB LEU 103 -12.082 5.665 -11.239 815 HB3 LEU 103 2HB LEU 103 -12.680 4.768 -12.620 816 HG LEU 103 HG LEU 103 -11.317 3.386 -10.307 817 HD11 LEU 103 1HD1 LEU 103 -13.347 4.861 -9.659 818 HD12 LEU 103 2HD1 LEU 103 -14.309 3.621 -10.499 819 HD13 LEU 103 3HD1 LEU 103 -13.291 3.169 -9.109 820 HD21 LEU 103 3HD2 LEU 103 -13.423 2.281 -12.162 821 HD22 LEU 103 1HD2 LEU 103 -11.692 2.262 -12.576 822 HD23 LEU 103 2HD2 LEU 103 -12.269 1.408 -11.125 Start of MODEL 10 1 H1 MET 1 1H MET 1 -8.980 1.929 16.788 2 HA MET 1 HA MET 1 -10.945 2.763 17.262 3 HB2 MET 1 1HB MET 1 -9.268 5.306 16.934 4 HB3 MET 1 2HB MET 1 -10.886 5.345 17.606 5 HG2 MET 1 1HG MET 1 -10.239 3.912 19.470 6 HG3 MET 1 2HG MET 1 -8.689 3.553 18.736 7 HE1 MET 1 3HE MET 1 -8.765 5.168 21.952 8 HE2 MET 1 1HE MET 1 -7.963 3.929 20.957 9 HE3 MET 1 2HE MET 1 -7.110 5.440 21.355 10 H GLN 2 H GLN 2 -9.529 4.785 14.596 11 HA GLN 2 HA GLN 2 -11.586 4.125 12.851 12 HB2 GLN 2 1HB GLN 2 -12.623 5.865 14.607 13 HB3 GLN 2 2HB GLN 2 -11.828 7.039 13.577 14 HG2 GLN 2 1HG GLN 2 -13.740 6.915 12.325 15 HG3 GLN 2 2HG GLN 2 -13.021 5.456 11.673 16 HE21 GLN 2 2HE2 GLN 2 -16.441 4.581 12.685 17 HE22 GLN 2 1HE2 GLN 2 -15.640 5.600 11.536 18 HA PRO 3 HA PRO 3 -7.745 6.085 11.294 19 HB2 PRO 3 2HB PRO 3 -6.158 4.510 11.843 20 HB3 PRO 3 1HB PRO 3 -6.522 3.875 10.251 21 HG2 PRO 3 1HG PRO 3 -7.736 2.117 11.119 22 HG3 PRO 3 2HG PRO 3 -7.011 2.528 12.660 23 HD2 PRO 3 1HD PRO 3 -9.784 2.737 11.958 24 HD3 PRO 3 2HD PRO 3 -9.041 3.256 13.458 25 H ASN 4 H ASN 4 -6.795 6.077 8.982 26 HA ASN 4 HA ASN 4 -8.951 6.582 7.343 27 HB2 ASN 4 1HB ASN 4 -6.366 7.241 7.198 28 HB3 ASN 4 2HB ASN 4 -6.240 5.792 6.220 29 HD21 ASN 4 2HD2 ASN 4 -6.872 8.802 4.075 30 HD22 ASN 4 1HD2 ASN 4 -5.723 8.375 5.298 31 H ASP 5 H ASP 5 -8.795 5.402 4.913 32 HA ASP 5 HA ASP 5 -9.690 2.787 5.419 33 HB2 ASP 5 1HB ASP 5 -8.985 4.136 2.769 34 HB3 ASP 5 2HB ASP 5 -9.934 2.672 2.937 35 HD2 ASP 5 HD ASP 5 -12.780 4.396 2.969 36 H ILE 6 H ILE 6 -6.851 4.270 3.689 37 HA ILE 6 HA ILE 6 -5.147 2.141 4.473 38 HB ILE 6 HB ILE 6 -6.267 0.922 2.748 39 HG12 ILE 6 1HG1 ILE 6 -3.650 1.807 1.528 40 HG13 ILE 6 2HG1 ILE 6 -3.707 0.878 3.013 41 HG21 ILE 6 1HG2 ILE 6 -7.274 2.678 1.463 42 HG22 ILE 6 2HG2 ILE 6 -5.682 3.296 0.962 43 HG23 ILE 6 3HG2 ILE 6 -6.243 1.710 0.382 44 HD11 ILE 6 3HD1 ILE 6 -3.937 -1.011 1.793 45 HD12 ILE 6 1HD1 ILE 6 -5.501 -0.408 1.193 46 HD13 ILE 6 2HD1 ILE 6 -4.006 -0.055 0.293 47 H THR 7 H THR 7 -2.960 2.729 4.247 48 HA THR 7 HA THR 7 -2.582 5.451 3.182 49 HB THR 7 HB THR 7 -0.585 5.295 4.914 50 HG1 THR 7 1HG THR 7 -0.925 2.998 5.305 51 HG21 THR 7 3HG2 THR 7 -3.461 5.269 5.970 52 HG22 THR 7 1HG2 THR 7 -2.043 5.964 6.791 53 HG23 THR 7 2HG2 THR 7 -2.657 6.706 5.294 54 H PHE 8 H PHE 8 -0.191 5.860 2.557 55 HA PHE 8 HA PHE 8 1.159 3.539 1.551 56 HB2 PHE 8 1HB PHE 8 0.213 5.728 -0.377 57 HB3 PHE 8 2HB PHE 8 0.915 4.180 -0.807 58 HD1 PHE 8 1HD PHE 8 -2.095 5.715 0.736 59 HD2 PHE 8 2HD PHE 8 -0.458 2.334 -1.239 60 HE1 PHE 8 1HE PHE 8 -4.394 4.735 0.508 61 HE2 PHE 8 2HE PHE 8 -2.758 1.354 -1.468 62 HZ PHE 8 HZ PHE 8 -4.698 2.567 -0.592 63 H PHE 9 H PHE 9 3.339 4.010 0.881 64 HA PHE 9 HA PHE 9 4.371 6.352 2.136 65 HB2 PHE 9 1HB PHE 9 5.438 4.031 2.026 66 HB3 PHE 9 2HB PHE 9 5.605 4.217 0.292 67 HD1 PHE 9 1HD PHE 9 6.235 6.820 2.859 68 HD2 PHE 9 2HD PHE 9 7.938 4.134 0.050 69 HE1 PHE 9 1HE PHE 9 8.478 7.896 3.190 70 HE2 PHE 9 2HE PHE 9 10.181 5.210 0.381 71 HZ PHE 9 HZ PHE 9 10.425 7.079 1.947 72 H GLN 10 H GLN 10 5.900 7.874 1.020 73 HA GLN 10 HA GLN 10 4.685 9.215 -0.976 74 HB2 GLN 10 1HB GLN 10 7.094 10.127 -1.434 75 HB3 GLN 10 2HB GLN 10 6.383 10.382 0.147 76 HG2 GLN 10 1HG GLN 10 8.102 9.266 1.110 77 HG3 GLN 10 2HG GLN 10 7.662 7.816 0.230 78 HE21 GLN 10 2HE2 GLN 10 11.194 9.109 -0.487 79 HE22 GLN 10 1HE2 GLN 10 10.274 8.967 0.974 80 H ARG 11 H ARG 11 7.266 6.693 -1.273 81 HA ARG 11 HA ARG 11 7.540 6.908 -4.006 82 HB2 ARG 11 1HB ARG 11 7.911 4.462 -2.204 83 HB3 ARG 11 2HB ARG 11 8.527 4.587 -3.839 84 HG2 ARG 11 1HG ARG 11 9.606 6.862 -2.882 85 HG3 ARG 11 2HG ARG 11 9.435 6.028 -1.350 86 HD2 ARG 11 1HD ARG 11 11.592 5.365 -2.061 87 HD3 ARG 11 2HD ARG 11 10.598 4.005 -2.544 88 HE ARG 11 HE ARG 11 10.960 4.553 -4.799 89 HH11 ARG 11 2HH2 ARG 11 11.954 7.279 -2.766 90 HH12 ARG 11 1HH2 ARG 11 12.688 8.146 -4.073 91 HH21 ARG 11 1HH ARG 11 12.661 7.197 -6.273 92 H PHE 12 H PHE 12 5.417 4.822 -1.946 93 HA PHE 12 HA PHE 12 4.349 3.290 -4.007 94 HB2 PHE 12 1HB PHE 12 4.232 3.335 -1.294 95 HB3 PHE 12 2HB PHE 12 2.757 4.234 -1.587 96 HD1 PHE 12 2HD PHE 12 1.360 3.000 -3.671 97 HD2 PHE 12 1HD PHE 12 3.848 1.132 -0.785 98 HE1 PHE 12 2HE PHE 12 0.112 0.846 -3.990 99 HE2 PHE 12 1HE PHE 12 2.599 -1.022 -1.103 100 HZ PHE 12 HZ PHE 12 0.746 -1.140 -2.702 101 H GLN 13 H GLN 13 3.495 6.531 -2.731 102 HA GLN 13 HA GLN 13 1.023 6.672 -4.016 103 HB2 GLN 13 1HB GLN 13 2.742 8.398 -2.422 104 HB3 GLN 13 2HB GLN 13 2.071 9.307 -3.762 105 HG2 GLN 13 1HG GLN 13 0.053 7.559 -2.516 106 HG3 GLN 13 2HG GLN 13 0.759 8.663 -1.352 107 HE21 GLN 13 2HE2 GLN 13 -2.177 9.983 -3.562 108 HE22 GLN 13 1HE2 GLN 13 -1.851 8.379 -2.996 109 H ASP 14 H ASP 14 4.348 7.773 -4.926 110 HA ASP 14 HA ASP 14 3.676 9.096 -7.215 111 HB2 ASP 14 1HB ASP 14 5.930 9.204 -6.345 112 HB3 ASP 14 2HB ASP 14 6.127 7.465 -6.438 113 HD2 ASP 14 HD ASP 14 5.812 10.204 -8.841 114 H ASP 15 H ASP 15 4.443 5.602 -6.617 115 HA ASP 15 HA ASP 15 4.436 4.779 -9.234 116 HB2 ASP 15 1HB ASP 15 5.163 3.418 -7.257 117 HB3 ASP 15 2HB ASP 15 3.493 3.268 -6.751 118 HD2 ASP 15 HD ASP 15 4.425 1.040 -6.955 119 H ILE 16 H ILE 16 1.795 5.090 -6.774 120 HA ILE 16 HA ILE 16 -0.228 3.918 -8.303 121 HB ILE 16 HB ILE 16 -0.254 5.910 -6.041 122 HG12 ILE 16 1HG1 ILE 16 -1.069 3.008 -5.958 123 HG13 ILE 16 2HG1 ILE 16 0.609 3.480 -5.787 124 HG21 ILE 16 1HG2 ILE 16 -2.738 4.612 -6.146 125 HG22 ILE 16 2HG2 ILE 16 -2.392 6.329 -6.463 126 HG23 ILE 16 3HG2 ILE 16 -2.414 5.162 -7.807 127 HD11 ILE 16 3HD1 ILE 16 -0.739 3.250 -3.607 128 HD12 ILE 16 1HD1 ILE 16 0.167 4.768 -3.810 129 HD13 ILE 16 2HD1 ILE 16 -1.589 4.735 -4.096 130 H LEU 17 H LEU 17 0.990 7.300 -8.052 131 HA LEU 17 HA LEU 17 -0.998 8.477 -9.597 132 HB2 LEU 17 1HB LEU 17 0.124 10.267 -8.995 133 HB3 LEU 17 2HB LEU 17 1.350 9.238 -8.281 134 HG LEU 17 HG LEU 17 2.426 9.174 -10.616 135 HD11 LEU 17 1HD1 LEU 17 1.640 10.396 -12.313 136 HD12 LEU 17 2HD1 LEU 17 0.126 10.478 -11.380 137 HD13 LEU 17 3HD1 LEU 17 1.310 11.802 -11.273 138 HD21 LEU 17 3HD2 LEU 17 3.681 10.315 -9.075 139 HD22 LEU 17 1HD2 LEU 17 3.305 11.625 -10.220 140 HD23 LEU 17 2HD2 LEU 17 2.384 11.476 -8.704 141 H ALA 18 H ALA 18 1.673 6.358 -10.439 142 HA ALA 18 HA ALA 18 1.758 7.156 -13.185 143 HB1 ALA 18 3HB ALA 18 3.414 5.781 -11.443 144 HB2 ALA 18 1HB ALA 18 2.773 4.481 -12.477 145 HB3 ALA 18 2HB ALA 18 3.617 5.867 -13.210 146 H GLY 19 H GLY 19 -0.619 5.705 -11.367 147 HA2 GLY 19 1HA GLY 19 -2.434 4.479 -11.868 148 HA3 GLY 19 2HA GLY 19 -2.147 4.885 -13.549 149 H ARG 20 H ARG 20 -0.890 2.697 -10.934 150 HA ARG 20 HA ARG 20 -0.829 0.618 -12.951 151 HB2 ARG 20 1HB ARG 20 1.487 1.798 -11.642 152 HB3 ARG 20 2HB ARG 20 1.343 0.127 -11.131 153 HG2 ARG 20 1HG ARG 20 0.819 0.067 -13.915 154 HG3 ARG 20 2HG ARG 20 2.141 1.205 -13.741 155 HD2 ARG 20 1HD ARG 20 3.633 -0.427 -13.123 156 HD3 ARG 20 2HD ARG 20 2.478 -1.226 -12.075 157 HE ARG 20 HE ARG 20 1.919 -1.539 -14.947 158 HH11 ARG 20 2HH2 ARG 20 3.558 -2.908 -12.120 159 HH12 ARG 20 1HH2 ARG 20 3.637 -4.505 -12.785 160 HH21 ARG 20 1HH ARG 20 2.729 -4.916 -14.964 161 H LYS 21 H LYS 21 -2.639 -0.465 -12.068 162 HA LYS 21 HA LYS 21 -3.466 -0.689 -9.549 163 HB2 LYS 21 1HB LYS 21 -4.455 -2.843 -10.160 164 HB3 LYS 21 2HB LYS 21 -4.627 -1.668 -11.448 165 HG2 LYS 21 1HG LYS 21 -3.663 -3.170 -12.847 166 HG3 LYS 21 2HG LYS 21 -2.154 -2.910 -11.994 167 HD2 LYS 21 1HD LYS 21 -2.647 -4.740 -10.434 168 HD3 LYS 21 2HD LYS 21 -4.262 -4.925 -11.089 169 HE2 LYS 21 1HE LYS 21 -3.258 -5.528 -13.324 170 HE3 LYS 21 2HE LYS 21 -1.658 -5.404 -12.619 171 HZ1 LYS 21 2HZ LYS 21 -1.898 -7.469 -11.804 172 HZ3 LYS 21 1HZ LYS 21 -3.345 -7.614 -12.538 173 H THR 22 H THR 22 -2.141 -0.792 -7.785 174 HA THR 22 HA THR 22 -0.187 -2.996 -7.756 175 HB THR 22 HB THR 22 -0.246 -0.197 -6.554 176 HG1 THR 22 1HG THR 22 1.438 -0.076 -8.020 177 HG21 THR 22 3HG2 THR 22 1.381 -2.634 -5.712 178 HG22 THR 22 1HG2 THR 22 2.056 -0.992 -5.584 179 HG23 THR 22 2HG2 THR 22 0.590 -1.425 -4.672 180 H ILE 23 H ILE 23 0.119 -4.157 -5.737 181 HA ILE 23 HA ILE 23 -2.452 -4.446 -4.393 182 HB ILE 23 HB ILE 23 -0.249 -6.315 -3.808 183 HG12 ILE 23 1HG1 ILE 23 -0.996 -7.448 -6.123 184 HG13 ILE 23 2HG1 ILE 23 -1.151 -5.768 -6.598 185 HG21 ILE 23 1HG2 ILE 23 -2.753 -6.405 -3.141 186 HG22 ILE 23 2HG2 ILE 23 -3.006 -6.988 -4.804 187 HG23 ILE 23 3HG2 ILE 23 -1.946 -7.891 -3.695 188 HD11 ILE 23 3HD1 ILE 23 1.268 -7.341 -6.189 189 HD12 ILE 23 1HD1 ILE 23 1.089 -5.729 -6.922 190 HD13 ILE 23 2HD1 ILE 23 1.289 -5.888 -5.161 191 H THR 24 H THR 24 -2.386 -4.863 -1.976 192 HA THR 24 HA THR 24 -0.160 -3.510 -0.656 193 HB THR 24 HB THR 24 -1.620 -1.911 0.426 194 HG1 THR 24 1HG THR 24 -3.957 -2.204 0.090 195 HG21 THR 24 3HG2 THR 24 -3.039 -1.949 -2.231 196 HG22 THR 24 1HG2 THR 24 -2.304 -0.579 -1.365 197 HG23 THR 24 2HG2 THR 24 -1.274 -1.720 -2.263 198 H ILE 25 H ILE 25 -0.485 -3.668 1.833 199 HA ILE 25 HA ILE 25 -1.754 -6.247 2.419 200 HB ILE 25 HB ILE 25 0.954 -5.337 3.399 201 HG12 ILE 25 1HG1 ILE 25 1.410 -7.629 2.010 202 HG13 ILE 25 2HG1 ILE 25 0.114 -6.941 1.053 203 HG21 ILE 25 1HG2 ILE 25 1.127 -7.526 4.415 204 HG22 ILE 25 2HG2 ILE 25 -0.325 -6.693 5.020 205 HG23 ILE 25 3HG2 ILE 25 -0.480 -7.977 3.796 206 HD11 ILE 25 3HD1 ILE 25 2.041 -5.979 0.089 207 HD12 ILE 25 1HD1 ILE 25 1.487 -4.704 1.201 208 HD13 ILE 25 2HD1 ILE 25 2.838 -5.765 1.666 209 H ARG 26 H ARG 26 -2.919 -6.330 4.324 210 HA ARG 26 HA ARG 26 -2.703 -3.965 5.997 211 HB2 ARG 26 1HB ARG 26 -5.430 -5.095 5.901 212 HB3 ARG 26 2HB ARG 26 -4.919 -3.425 5.759 213 HG2 ARG 26 1HG ARG 26 -4.536 -5.401 3.474 214 HG3 ARG 26 2HG ARG 26 -6.041 -4.526 3.683 215 HD2 ARG 26 1HD ARG 26 -3.331 -3.129 3.518 216 HD3 ARG 26 2HD ARG 26 -4.326 -3.436 2.109 217 HE ARG 26 HE ARG 26 -5.938 -1.856 2.895 218 HH11 ARG 26 2HH2 ARG 26 -3.273 -2.245 5.198 219 HH12 ARG 26 1HH2 ARG 26 -3.675 -0.817 6.094 220 HH21 ARG 26 1HH ARG 26 -5.556 0.503 5.416 221 H ASP 27 H ASP 27 -4.061 -4.437 8.175 222 HA ASP 27 HA ASP 27 -3.097 -7.012 9.051 223 HB2 ASP 27 1HB ASP 27 -2.468 -5.166 10.472 224 HB3 ASP 27 2HB ASP 27 -4.093 -4.510 10.468 225 HD2 ASP 27 HD ASP 27 -3.704 -6.086 13.670 226 H GLU 28 H GLU 28 -4.540 -8.708 9.494 227 HA GLU 28 HA GLU 28 -7.100 -8.666 8.636 228 HB2 GLU 28 1HB GLU 28 -6.000 -10.761 9.064 229 HB3 GLU 28 2HB GLU 28 -5.736 -10.369 10.752 230 HG2 GLU 28 1HG GLU 28 -7.616 -11.958 10.519 231 HG3 GLU 28 2HG GLU 28 -8.180 -10.437 11.181 232 HE2 GLU 28 HE GLU 28 -10.083 -12.032 8.631 233 H SER 29 H SER 29 -5.814 -7.824 11.884 234 HA SER 29 HA SER 29 -8.251 -7.713 13.179 235 HB2 SER 29 1HB SER 29 -7.080 -6.637 14.939 236 HB3 SER 29 2HB SER 29 -5.865 -7.628 14.156 237 HG SER 29 HG SER 29 -5.671 -5.050 14.627 238 H GLU 30 H GLU 30 -6.916 -5.730 10.680 239 HA GLU 30 HA GLU 30 -9.025 -3.791 11.183 240 HB2 GLU 30 1HB GLU 30 -6.093 -3.273 10.702 241 HB3 GLU 30 2HB GLU 30 -7.256 -2.134 10.054 242 HG2 GLU 30 1HG GLU 30 -7.955 -1.421 12.156 243 HG3 GLU 30 2HG GLU 30 -7.671 -2.980 12.904 244 HE2 GLU 30 HE GLU 30 -6.281 -0.026 12.091 245 H SER 31 H SER 31 -8.482 -6.272 9.395 246 HA SER 31 HA SER 31 -8.732 -4.915 6.833 247 HB2 SER 31 1HB SER 31 -7.023 -6.914 7.463 248 HB3 SER 31 2HB SER 31 -8.402 -7.897 7.014 249 HG SER 31 HG SER 31 -8.222 -6.035 5.103 250 H HIS 32 H HIS 32 -10.973 -4.369 6.939 251 HA HIS 32 HA HIS 32 -12.708 -6.643 6.528 252 HB2 HIS 32 1HB HIS 32 -14.403 -5.604 8.132 253 HB3 HIS 32 2HB HIS 32 -13.070 -6.507 8.825 254 HD1 HIS 32 1HD HIS 32 -14.080 -2.879 8.156 255 HD2 HIS 32 2HD HIS 32 -11.582 -5.117 10.675 256 HE1 HIS 32 1HE HIS 32 -13.143 -1.240 9.874 257 H PHE 33 H PHE 33 -13.647 -6.207 4.602 258 HA PHE 33 HA PHE 33 -15.208 -3.952 4.192 259 HB2 PHE 33 1HB PHE 33 -12.483 -3.375 3.994 260 HB3 PHE 33 2HB PHE 33 -12.840 -3.823 2.337 261 HD1 PHE 33 1HD PHE 33 -15.066 -2.045 4.725 262 HD2 PHE 33 2HD PHE 33 -12.691 -1.775 1.218 263 HE1 PHE 33 1HE PHE 33 -15.962 0.259 4.295 264 HE2 PHE 33 2HE PHE 33 -13.588 0.529 0.788 265 HZ PHE 33 HZ PHE 33 -15.213 1.519 2.332 266 H LYS 34 H LYS 34 -14.799 -3.697 1.312 267 HA LYS 34 HA LYS 34 -15.012 -6.418 0.330 268 HB2 LYS 34 1HB LYS 34 -17.293 -4.428 0.206 269 HB3 LYS 34 2HB LYS 34 -17.188 -5.847 -0.817 270 HG2 LYS 34 1HG LYS 34 -17.016 -6.018 2.223 271 HG3 LYS 34 2HG LYS 34 -18.544 -6.094 1.368 272 HD2 LYS 34 1HD LYS 34 -16.263 -7.933 0.574 273 HD3 LYS 34 2HD LYS 34 -17.276 -8.333 1.946 274 HE2 LYS 34 1HE LYS 34 -18.985 -9.005 0.602 275 HE3 LYS 34 2HE LYS 34 -18.930 -7.520 -0.327 276 HZ1 LYS 34 2HZ LYS 34 -18.316 -9.165 -1.854 277 HZ3 LYS 34 1HZ LYS 34 -17.395 -9.996 -0.799 278 H THR 35 H THR 35 -14.937 -6.492 -2.069 279 HA THR 35 HA THR 35 -13.118 -4.485 -3.023 280 HB THR 35 HB THR 35 -14.423 -6.873 -4.431 281 HG1 THR 35 1HG THR 35 -13.253 -7.395 -2.432 282 HG21 THR 35 3HG2 THR 35 -11.978 -5.131 -4.955 283 HG22 THR 35 1HG2 THR 35 -12.044 -6.814 -5.531 284 HG23 THR 35 2HG2 THR 35 -13.242 -5.629 -6.104 285 H GLY 36 H GLY 36 -13.405 -3.365 -5.127 286 HA2 GLY 36 1HA GLY 36 -14.666 -2.245 -6.670 287 HA3 GLY 36 2HA GLY 36 -16.133 -2.919 -5.988 288 H ASP 37 H ASP 37 -14.825 -2.013 -3.204 289 HA ASP 37 HA ASP 37 -16.328 0.364 -3.103 290 HB2 ASP 37 1HB ASP 37 -14.783 -1.360 -1.246 291 HB3 ASP 37 2HB ASP 37 -14.737 0.337 -0.810 292 HD2 ASP 37 HD ASP 37 -15.849 -1.270 0.842 293 H VAL 38 H VAL 38 -14.872 2.170 -1.551 294 HA VAL 38 HA VAL 38 -12.673 2.882 -3.356 295 HB VAL 38 HB VAL 38 -14.874 4.324 -2.112 296 HG11 VAL 38 1HG1 VAL 38 -13.448 6.430 -1.779 297 HG12 VAL 38 2HG1 VAL 38 -13.377 5.188 -0.506 298 HG13 VAL 38 3HG1 VAL 38 -12.053 5.328 -1.687 299 HG21 VAL 38 3HG2 VAL 38 -14.737 4.501 -4.427 300 HG22 VAL 38 1HG2 VAL 38 -14.019 6.038 -3.886 301 HG23 VAL 38 2HG2 VAL 38 -12.968 4.701 -4.413 302 H LEU 39 H LEU 39 -10.664 3.622 -2.460 303 HA LEU 39 HA LEU 39 -10.349 2.984 0.387 304 HB2 LEU 39 1HB LEU 39 -8.820 1.981 -1.974 305 HB3 LEU 39 2HB LEU 39 -7.957 2.275 -0.478 306 HG LEU 39 HG LEU 39 -10.432 0.548 -0.563 307 HD11 LEU 39 1HD1 LEU 39 -9.141 -1.402 -0.933 308 HD12 LEU 39 2HD1 LEU 39 -8.679 -0.244 -2.204 309 HD13 LEU 39 3HD1 LEU 39 -7.609 -0.504 -0.806 310 HD21 LEU 39 3HD2 LEU 39 -9.895 1.176 1.649 311 HD22 LEU 39 1HD2 LEU 39 -9.272 -0.479 1.446 312 HD23 LEU 39 2HD2 LEU 39 -8.155 0.906 1.390 313 H ARG 40 H ARG 40 -10.076 4.942 1.336 314 HA ARG 40 HA ARG 40 -9.169 7.158 -0.023 315 HB2 ARG 40 1HB ARG 40 -9.941 6.446 2.704 316 HB3 ARG 40 2HB ARG 40 -8.552 7.514 2.748 317 HG2 ARG 40 1HG ARG 40 -9.883 9.286 2.279 318 HG3 ARG 40 2HG ARG 40 -10.338 8.555 0.753 319 HD2 ARG 40 1HD ARG 40 -11.800 7.128 2.742 320 HD3 ARG 40 2HD ARG 40 -11.910 8.815 3.202 321 HE ARG 40 HE ARG 40 -12.368 8.657 0.393 322 HH11 ARG 40 2HH2 ARG 40 -13.939 7.672 3.412 323 HH12 ARG 40 1HH2 ARG 40 -15.537 7.735 2.746 324 HH21 ARG 40 1HH ARG 40 -15.829 8.367 0.452 325 H VAL 41 H VAL 41 -7.110 7.962 -0.456 326 HA VAL 41 HA VAL 41 -4.877 6.716 0.975 327 HB VAL 41 HB VAL 41 -3.701 6.260 -0.968 328 HG11 VAL 41 1HG1 VAL 41 -6.308 5.631 -2.239 329 HG12 VAL 41 2HG1 VAL 41 -4.931 4.573 -1.852 330 HG13 VAL 41 3HG1 VAL 41 -6.085 5.034 -0.577 331 HG21 VAL 41 3HG2 VAL 41 -5.673 8.018 -2.463 332 HG22 VAL 41 1HG2 VAL 41 -3.958 8.358 -2.134 333 HG23 VAL 41 2HG2 VAL 41 -4.407 7.036 -3.238 334 H GLY 42 H GLY 42 -2.762 8.105 0.086 335 HA2 GLY 42 1HA GLY 42 -2.995 10.764 -0.572 336 HA3 GLY 42 2HA GLY 42 -3.205 10.710 1.167 337 H ARG 43 H ARG 43 -1.490 9.638 2.502 338 HA ARG 43 HA ARG 43 0.897 8.832 1.378 339 HB2 ARG 43 1HB ARG 43 0.806 11.487 1.007 340 HB3 ARG 43 2HB ARG 43 1.292 11.534 2.690 341 HG2 ARG 43 1HG ARG 43 3.432 11.194 2.024 342 HG3 ARG 43 2HG ARG 43 2.974 9.577 1.527 343 HD2 ARG 43 1HD ARG 43 4.059 10.987 -0.301 344 HD3 ARG 43 2HD ARG 43 2.512 10.290 -0.738 345 HE ARG 43 HE ARG 43 2.156 12.915 0.436 346 HH11 ARG 43 2HH2 ARG 43 3.115 11.299 -2.568 347 HH12 ARG 43 1HH2 ARG 43 2.660 12.632 -3.576 348 HH21 ARG 43 1HH ARG 43 1.746 14.606 -2.571 349 H PHE 44 H PHE 44 2.081 7.758 2.994 350 HA PHE 44 HA PHE 44 0.875 7.583 5.550 351 HB2 PHE 44 1HB PHE 44 2.596 6.108 3.881 352 HB3 PHE 44 2HB PHE 44 3.694 6.653 5.133 353 HD1 PHE 44 2HD PHE 44 2.332 6.473 7.596 354 HD2 PHE 44 1HD PHE 44 1.931 3.937 4.217 355 HE1 PHE 44 2HE PHE 44 1.555 4.610 9.087 356 HE2 PHE 44 1HE PHE 44 1.155 2.073 5.709 357 HZ PHE 44 HZ PHE 44 0.976 2.432 8.126 358 H GLU 45 H GLU 45 3.474 9.518 4.138 359 HA GLU 45 HA GLU 45 5.065 10.012 6.243 360 HB2 GLU 45 1HB GLU 45 4.509 11.216 3.724 361 HB3 GLU 45 2HB GLU 45 4.472 12.522 4.891 362 HG2 GLU 45 1HG GLU 45 6.707 11.940 5.715 363 HG3 GLU 45 2HG GLU 45 6.737 10.481 4.745 364 HE2 GLU 45 HE GLU 45 7.690 14.034 3.583 365 H ASP 46 H ASP 46 1.896 11.602 5.498 366 HA ASP 46 HA ASP 46 1.034 11.771 8.031 367 HB2 ASP 46 1HB ASP 46 1.473 14.448 8.205 368 HB3 ASP 46 2HB ASP 46 2.503 13.261 8.980 369 HD2 ASP 46 HD ASP 46 4.490 13.829 8.714 370 H ASP 47 H ASP 47 1.481 13.319 4.850 371 HA ASP 47 HA ASP 47 -0.397 15.135 4.630 372 HB2 ASP 47 1HB ASP 47 1.035 13.596 2.853 373 HB3 ASP 47 2HB ASP 47 -0.589 13.036 2.507 374 HD2 ASP 47 HD ASP 47 -0.667 15.384 0.192 375 H GLY 48 H GLY 48 -0.877 11.626 5.068 376 HA2 GLY 48 1HA GLY 48 -2.714 10.334 5.266 377 HA3 GLY 48 2HA GLY 48 -3.366 11.693 6.160 378 H TYR 49 H TYR 49 -5.525 11.312 5.396 379 HA TYR 49 HA TYR 49 -6.478 10.793 2.986 380 HB2 TYR 49 1HB TYR 49 -7.852 11.369 4.971 381 HB3 TYR 49 2HB TYR 49 -7.206 12.998 5.003 382 HD1 TYR 49 2HD TYR 49 -7.879 14.636 3.206 383 HD2 TYR 49 1HD TYR 49 -9.748 10.810 3.626 384 HE1 TYR 49 2HE TYR 49 -9.845 15.435 1.806 385 HE2 TYR 49 1HE TYR 49 -11.708 11.622 2.224 386 HH TYR 49 HH TYR 49 -12.742 13.558 1.532 387 H PHE 50 H PHE 50 -6.073 11.475 0.948 388 HA PHE 50 HA PHE 50 -5.866 14.338 0.505 389 HB2 PHE 50 1HB PHE 50 -3.604 12.735 0.771 390 HB3 PHE 50 2HB PHE 50 -3.919 12.548 -0.942 391 HD1 PHE 50 1HD PHE 50 -3.843 15.341 1.547 392 HD2 PHE 50 2HD PHE 50 -2.772 13.977 -2.326 393 HE1 PHE 50 1HE PHE 50 -2.690 17.525 1.096 394 HE2 PHE 50 2HE PHE 50 -1.619 16.160 -2.777 395 HZ PHE 50 HZ PHE 50 -1.592 17.908 -1.060 396 H CYS 51 H CYS 51 -5.659 11.050 -1.035 397 HA CYS 51 HA CYS 51 -7.527 12.071 -3.046 398 HB2 CYS 51 1HB CYS 51 -5.318 10.077 -3.629 399 HB3 CYS 51 2HB CYS 51 -6.414 10.821 -4.777 400 HG CYS 51 HG CYS 51 -3.973 11.844 -4.966 401 H THR 52 H THR 52 -8.302 9.801 -4.304 402 HA THR 52 HA THR 52 -8.783 7.751 -2.281 403 HB THR 52 HB THR 52 -11.036 9.063 -3.881 404 HG1 THR 52 1HG THR 52 -10.999 10.538 -2.227 405 HG21 THR 52 3HG2 THR 52 -12.087 7.172 -3.058 406 HG22 THR 52 1HG2 THR 52 -10.800 6.866 -1.867 407 HG23 THR 52 2HG2 THR 52 -12.065 8.069 -1.520 408 H ILE 53 H ILE 53 -9.192 5.680 -3.110 409 HA ILE 53 HA ILE 53 -9.028 5.483 -6.026 410 HB ILE 53 HB ILE 53 -7.316 3.902 -5.979 411 HG12 ILE 53 1HG1 ILE 53 -6.320 3.171 -3.703 412 HG13 ILE 53 2HG1 ILE 53 -7.840 3.707 -3.015 413 HG21 ILE 53 1HG2 ILE 53 -6.318 6.012 -5.842 414 HG22 ILE 53 2HG2 ILE 53 -6.755 6.214 -4.128 415 HG23 ILE 53 3HG2 ILE 53 -5.488 5.053 -4.593 416 HD11 ILE 53 3HD1 ILE 53 -7.452 1.191 -3.967 417 HD12 ILE 53 1HD1 ILE 53 -9.045 1.987 -3.966 418 HD13 ILE 53 2HD1 ILE 53 -8.056 1.976 -5.447 419 H GLU 54 H GLU 54 -9.495 3.049 -6.659 420 HA GLU 54 HA GLU 54 -11.655 2.172 -4.902 421 HB2 GLU 54 1HB GLU 54 -11.658 2.842 -7.750 422 HB3 GLU 54 2HB GLU 54 -12.196 1.193 -7.501 423 HG2 GLU 54 1HG GLU 54 -13.812 2.043 -5.738 424 HG3 GLU 54 2HG GLU 54 -13.331 3.680 -6.138 425 HE2 GLU 54 HE GLU 54 -15.853 1.690 -8.447 426 H VAL 55 H VAL 55 -11.805 -0.057 -4.450 427 HA VAL 55 HA VAL 55 -9.403 -1.520 -4.771 428 HB VAL 55 HB VAL 55 -11.912 -2.904 -4.020 429 HG11 VAL 55 1HG1 VAL 55 -9.040 -2.882 -3.285 430 HG12 VAL 55 2HG1 VAL 55 -10.175 -3.201 -1.951 431 HG13 VAL 55 3HG1 VAL 55 -10.190 -4.237 -3.399 432 HG21 VAL 55 3HG2 VAL 55 -12.630 -1.003 -2.943 433 HG22 VAL 55 1HG2 VAL 55 -11.589 -1.702 -1.680 434 HG23 VAL 55 2HG2 VAL 55 -10.980 -0.378 -2.703 435 H THR 56 H THR 56 -9.367 -3.791 -5.726 436 HA THR 56 HA THR 56 -11.172 -4.065 -8.011 437 HB THR 56 HB THR 56 -8.983 -2.785 -8.601 438 HG1 THR 56 1HG THR 56 -9.544 -3.739 -10.518 439 HG21 THR 56 3HG2 THR 56 -7.362 -4.185 -7.340 440 HG22 THR 56 1HG2 THR 56 -7.919 -5.633 -8.212 441 HG23 THR 56 2HG2 THR 56 -7.064 -4.341 -9.088 442 H ALA 57 H ALA 57 -8.552 -5.469 -5.970 443 HA ALA 57 HA ALA 57 -10.059 -7.945 -5.945 444 HB1 ALA 57 3HB ALA 57 -8.067 -9.274 -6.584 445 HB2 ALA 57 1HB ALA 57 -8.590 -8.198 -7.901 446 HB3 ALA 57 2HB ALA 57 -7.175 -7.769 -6.909 447 H THR 58 H THR 58 -8.905 -9.530 -4.342 448 HA THR 58 HA THR 58 -7.224 -8.225 -2.397 449 HB THR 58 HB THR 58 -10.179 -8.795 -1.949 450 HG1 THR 58 1HG THR 58 -9.565 -6.611 -2.316 451 HG21 THR 58 3HG2 THR 58 -9.354 -9.902 -0.015 452 HG22 THR 58 1HG2 THR 58 -7.890 -8.892 0.049 453 HG23 THR 58 2HG2 THR 58 -9.462 -8.213 0.534 454 H SER 59 H SER 59 -6.152 -9.677 -1.023 455 HA SER 59 HA SER 59 -6.907 -12.422 -1.132 456 HB2 SER 59 1HB SER 59 -4.187 -12.614 -1.833 457 HB3 SER 59 2HB SER 59 -5.560 -13.037 -2.837 458 HG SER 59 HG SER 59 -5.273 -10.340 -2.945 459 H THR 60 H THR 60 -5.174 -13.765 0.196 460 HA THR 60 HA THR 60 -4.196 -12.015 2.357 461 HB THR 60 HB THR 60 -4.492 -14.480 3.511 462 HG1 THR 60 1HG THR 60 -5.362 -15.437 1.591 463 HG21 THR 60 3HG2 THR 60 -5.670 -12.591 4.472 464 HG22 THR 60 1HG2 THR 60 -6.627 -12.355 2.990 465 HG23 THR 60 2HG2 THR 60 -6.925 -13.771 4.026 466 H VAL 61 H VAL 61 -2.074 -11.668 2.052 467 HA VAL 61 HA VAL 61 -0.368 -13.979 2.085 468 HB VAL 61 HB VAL 61 0.274 -12.113 -0.125 469 HG11 VAL 61 1HG1 VAL 61 1.068 -14.698 0.815 470 HG12 VAL 61 2HG1 VAL 61 0.431 -14.869 -0.839 471 HG13 VAL 61 3HG1 VAL 61 1.758 -13.730 -0.510 472 HG21 VAL 61 3HG2 VAL 61 -2.178 -12.505 -0.399 473 HG22 VAL 61 1HG2 VAL 61 -1.195 -13.161 -1.729 474 HG23 VAL 61 2HG2 VAL 61 -1.849 -14.252 -0.484 475 H THR 62 H THR 62 2.057 -13.087 1.994 476 HA THR 62 HA THR 62 2.205 -11.178 4.102 477 HB THR 62 HB THR 62 4.577 -12.047 2.439 478 HG1 THR 62 1HG THR 62 4.285 -14.167 3.442 479 HG21 THR 62 3HG2 THR 62 4.831 -12.804 5.146 480 HG22 THR 62 1HG2 THR 62 5.566 -11.369 4.392 481 HG23 THR 62 2HG2 THR 62 3.991 -11.236 5.212 482 H LEU 63 H LEU 63 4.621 -9.794 3.237 483 HA LEU 63 HA LEU 63 3.279 -7.804 1.568 484 HB2 LEU 63 1HB LEU 63 5.171 -6.345 2.427 485 HB3 LEU 63 2HB LEU 63 3.908 -6.807 3.551 486 HG LEU 63 HG LEU 63 5.987 -8.763 3.726 487 HD11 LEU 63 1HD1 LEU 63 7.241 -6.676 2.716 488 HD12 LEU 63 2HD1 LEU 63 7.155 -6.091 4.395 489 HD13 LEU 63 3HD1 LEU 63 7.959 -7.637 4.031 490 HD21 LEU 63 3HD2 LEU 63 5.862 -6.858 5.925 491 HD22 LEU 63 1HD2 LEU 63 4.247 -7.388 5.396 492 HD23 LEU 63 2HD2 LEU 63 5.464 -8.593 5.882 493 H ASP 64 H ASP 64 6.720 -8.859 2.063 494 HA ASP 64 HA ASP 64 7.561 -8.087 -0.402 495 HB2 ASP 64 1HB ASP 64 8.703 -9.272 1.798 496 HB3 ASP 64 2HB ASP 64 8.743 -10.617 0.675 497 HD2 ASP 64 HD ASP 64 10.832 -8.531 -1.516 498 H THR 65 H THR 65 5.273 -10.483 0.370 499 HA THR 65 HA THR 65 5.978 -12.383 -1.680 500 HB THR 65 HB THR 65 3.625 -13.253 -0.918 501 HG1 THR 65 1HG THR 65 2.861 -11.302 0.036 502 HG21 THR 65 3HG2 THR 65 5.511 -14.363 0.102 503 HG22 THR 65 1HG2 THR 65 5.981 -12.894 0.991 504 HG23 THR 65 2HG2 THR 65 4.517 -13.790 1.463 505 H LEU 66 H LEU 66 4.864 -9.264 -1.832 506 HA LEU 66 HA LEU 66 4.153 -9.471 -4.507 507 HB2 LEU 66 1HB LEU 66 1.746 -8.987 -4.394 508 HB3 LEU 66 2HB LEU 66 2.168 -10.601 -3.859 509 HG LEU 66 HG LEU 66 2.156 -9.335 -1.469 510 HD11 LEU 66 1HD1 LEU 66 1.400 -7.237 -2.846 511 HD12 LEU 66 2HD1 LEU 66 -0.198 -8.019 -2.777 512 HD13 LEU 66 3HD1 LEU 66 0.655 -7.604 -1.271 513 HD21 LEU 66 3HD2 LEU 66 0.986 -11.377 -1.861 514 HD22 LEU 66 1HD2 LEU 66 -0.183 -10.203 -1.210 515 HD23 LEU 66 2HD2 LEU 66 -0.173 -10.577 -2.950 516 H THR 67 H THR 67 3.800 -7.787 -1.361 517 HA THR 67 HA THR 67 3.229 -5.256 -2.103 518 HB THR 67 HB THR 67 3.959 -6.467 0.194 519 HG1 THR 67 1HG THR 67 3.927 -4.258 0.960 520 HG21 THR 67 3HG2 THR 67 6.175 -6.309 0.734 521 HG22 THR 67 1HG2 THR 67 6.498 -5.881 -0.964 522 HG23 THR 67 2HG2 THR 67 6.211 -4.600 0.238 523 H GLU 68 H GLU 68 4.411 -3.342 -2.655 524 HA GLU 68 HA GLU 68 6.011 -3.672 -4.830 525 HB2 GLU 68 1HB GLU 68 5.293 -1.430 -3.010 526 HB3 GLU 68 2HB GLU 68 6.774 -1.186 -3.915 527 HG2 GLU 68 1HG GLU 68 4.586 -2.304 -5.568 528 HG3 GLU 68 2HG GLU 68 4.187 -0.745 -4.874 529 HE2 GLU 68 HE GLU 68 5.602 -2.124 -7.405 530 H LYS 69 H LYS 69 6.815 -3.916 -1.430 531 HA LYS 69 HA LYS 69 9.442 -3.177 -1.356 532 HB2 LYS 69 1HB LYS 69 7.983 -3.929 0.547 533 HB3 LYS 69 2HB LYS 69 8.239 -5.586 0.036 534 HG2 LYS 69 1HG LYS 69 10.840 -4.596 0.092 535 HG3 LYS 69 2HG LYS 69 10.097 -3.731 1.422 536 HD2 LYS 69 1HD LYS 69 9.312 -5.873 2.411 537 HD3 LYS 69 2HD LYS 69 9.979 -6.762 1.056 538 HE2 LYS 69 1HE LYS 69 12.249 -6.188 1.663 539 HE3 LYS 69 2HE LYS 69 11.716 -4.959 2.793 540 HZ1 LYS 69 2HZ LYS 69 12.350 -7.070 3.892 541 HZ3 LYS 69 1HZ LYS 69 11.146 -7.856 3.127 542 H HIS 70 H HIS 70 7.952 -6.109 -2.767 543 HA HIS 70 HA HIS 70 10.376 -7.475 -3.143 544 HB2 HIS 70 1HB HIS 70 8.051 -8.447 -3.130 545 HB3 HIS 70 2HB HIS 70 7.809 -7.761 -4.725 546 HD1 HIS 70 1HD HIS 70 7.565 -10.737 -4.584 547 HD2 HIS 70 2HD HIS 70 11.260 -8.838 -5.170 548 HE1 HIS 70 1HE HIS 70 9.093 -12.466 -5.673 549 H ALA 71 H ALA 71 8.354 -5.385 -5.309 550 HA ALA 71 HA ALA 71 9.919 -5.600 -7.570 551 HB1 ALA 71 3HB ALA 71 8.326 -4.208 -8.331 552 HB2 ALA 71 1HB ALA 71 7.672 -4.145 -6.677 553 HB3 ALA 71 2HB ALA 71 8.846 -2.921 -7.217 554 H GLU 72 H GLU 72 10.179 -3.343 -4.755 555 HA GLU 72 HA GLU 72 12.316 -1.918 -5.842 556 HB2 GLU 72 1HB GLU 72 10.694 -1.806 -3.522 557 HB3 GLU 72 2HB GLU 72 12.330 -1.977 -2.919 558 HG2 GLU 72 1HG GLU 72 13.060 0.034 -3.906 559 HG3 GLU 72 2HG GLU 72 11.825 -0.001 -5.149 560 HE2 GLU 72 HE GLU 72 9.382 0.295 -2.659 561 H GLN 73 H GLN 73 12.099 -4.774 -3.650 562 HA GLN 73 HA GLN 73 14.674 -4.955 -2.866 563 HB2 GLN 73 1HB GLN 73 12.453 -6.521 -2.611 564 HB3 GLN 73 2HB GLN 73 13.389 -7.524 -3.701 565 HG2 GLN 73 1HG GLN 73 15.243 -6.620 -1.742 566 HG3 GLN 73 2HG GLN 73 13.793 -7.030 -0.847 567 HE21 GLN 73 2HE2 GLN 73 16.061 -9.876 -2.772 568 HE22 GLN 73 1HE2 GLN 73 16.278 -8.176 -3.021 569 H GLU 74 H GLU 74 13.247 -5.779 -6.043 570 HA GLU 74 HA GLU 74 15.769 -6.863 -6.914 571 HB2 GLU 74 1HB GLU 74 13.880 -8.094 -7.697 572 HB3 GLU 74 2HB GLU 74 13.008 -6.644 -8.154 573 HG2 GLU 74 1HG GLU 74 14.246 -6.340 -10.120 574 HG3 GLU 74 2HG GLU 74 15.668 -7.140 -9.481 575 HE2 GLU 74 HE GLU 74 14.547 -10.029 -9.189 576 H ASN 75 H ASN 75 15.290 -3.925 -6.154 577 HA ASN 75 HA ASN 75 16.474 -2.892 -8.582 578 HB2 ASN 75 1HB ASN 75 13.886 -2.355 -8.311 579 HB3 ASN 75 2HB ASN 75 14.417 -1.222 -7.084 580 HD21 ASN 75 2HD2 ASN 75 14.148 0.467 -10.416 581 HD22 ASN 75 1HD2 ASN 75 13.100 -0.487 -9.421 582 H MET 76 H MET 76 15.231 -1.862 -5.302 583 HA MET 76 HA MET 76 17.651 -0.353 -4.911 584 HB2 MET 76 1HB MET 76 15.169 -0.740 -3.144 585 HB3 MET 76 2HB MET 76 16.438 0.430 -2.840 586 HG2 MET 76 1HG MET 76 14.646 0.374 -5.318 587 HG3 MET 76 2HG MET 76 14.474 1.479 -3.969 588 HE1 MET 76 3HE MET 76 15.593 0.628 -7.062 589 HE2 MET 76 1HE MET 76 15.969 2.277 -7.614 590 HE3 MET 76 2HE MET 76 17.285 1.117 -7.314 591 H THR 77 H THR 77 18.355 -0.450 -2.347 592 HA THR 77 HA THR 77 19.236 -3.199 -2.017 593 HB THR 77 HB THR 77 20.936 -1.469 -1.863 594 HG1 THR 77 1HG THR 77 21.559 -1.968 0.338 595 HG21 THR 77 3HG2 THR 77 20.294 -0.037 0.492 596 HG22 THR 77 1HG2 THR 77 20.324 0.623 -1.160 597 HG23 THR 77 2HG2 THR 77 18.801 0.006 -0.476 598 H LEU 78 H LEU 78 19.476 -3.765 0.525 599 HA LEU 78 HA LEU 78 16.803 -4.239 1.320 600 HB2 LEU 78 1HB LEU 78 19.478 -5.086 2.045 601 HB3 LEU 78 2HB LEU 78 18.497 -4.805 3.469 602 HG LEU 78 HG LEU 78 16.732 -6.303 2.409 603 HD11 LEU 78 1HD1 LEU 78 17.106 -7.513 0.517 604 HD12 LEU 78 2HD1 LEU 78 18.058 -6.063 0.117 605 HD13 LEU 78 3HD1 LEU 78 18.873 -7.522 0.730 606 HD21 LEU 78 3HD2 LEU 78 18.582 -8.341 2.760 607 HD22 LEU 78 1HD2 LEU 78 19.242 -6.994 3.719 608 HD23 LEU 78 2HD2 LEU 78 17.588 -7.576 4.023 609 H THR 79 H THR 79 19.361 -1.907 2.246 610 HA THR 79 HA THR 79 18.183 -0.937 4.572 611 HB THR 79 HB THR 79 20.038 0.216 2.442 612 HG1 THR 79 1HG THR 79 20.930 -1.378 3.847 613 HG21 THR 79 3HG2 THR 79 18.586 1.699 4.478 614 HG22 THR 79 1HG2 THR 79 20.297 1.584 4.953 615 HG23 THR 79 2HG2 THR 79 19.856 2.290 3.380 616 H GLU 80 H GLU 80 17.893 0.377 1.199 617 HA GLU 80 HA GLU 80 16.119 2.346 1.835 618 HB2 GLU 80 1HB GLU 80 17.129 1.063 -0.556 619 HB3 GLU 80 2HB GLU 80 15.409 1.335 -0.750 620 HG2 GLU 80 1HG GLU 80 16.001 3.747 0.255 621 HG3 GLU 80 2HG GLU 80 17.612 3.357 -0.313 622 HE2 GLU 80 HE GLU 80 16.371 4.988 -3.046 623 H LEU 81 H LEU 81 15.501 -1.106 0.967 624 HA LEU 81 HA LEU 81 12.724 -0.923 0.876 625 HB2 LEU 81 1HB LEU 81 14.766 -3.045 1.083 626 HB3 LEU 81 2HB LEU 81 13.178 -3.474 1.686 627 HG LEU 81 HG LEU 81 13.931 -2.607 -1.110 628 HD11 LEU 81 1HD1 LEU 81 12.727 -5.139 0.035 629 HD12 LEU 81 2HD1 LEU 81 12.881 -4.790 -1.704 630 HD13 LEU 81 3HD1 LEU 81 14.339 -4.933 -0.692 631 HD21 LEU 81 3HD2 LEU 81 11.392 -3.035 -1.518 632 HD22 LEU 81 1HD2 LEU 81 11.235 -2.645 0.211 633 HD23 LEU 81 2HD2 LEU 81 11.940 -1.455 -0.909 634 H LYS 82 H LYS 82 15.031 -1.143 3.577 635 HA LYS 82 HA LYS 82 13.055 -1.816 5.505 636 HB2 LYS 82 1HB LYS 82 15.789 -1.885 5.413 637 HB3 LYS 82 2HB LYS 82 15.524 -0.470 6.412 638 HG2 LYS 82 1HG LYS 82 14.554 -1.682 8.134 639 HG3 LYS 82 2HG LYS 82 13.814 -2.844 7.051 640 HD2 LYS 82 1HD LYS 82 15.709 -4.196 6.963 641 HD3 LYS 82 2HD LYS 82 16.816 -2.853 7.173 642 HE2 LYS 82 1HE LYS 82 16.997 -3.429 9.361 643 HE3 LYS 82 2HE LYS 82 15.335 -2.919 9.584 644 HZ1 LYS 82 2HZ LYS 82 14.573 -5.107 9.306 645 HZ3 LYS 82 1HZ LYS 82 15.940 -5.335 10.162 646 H LYS 83 H LYS 83 14.352 1.182 4.082 647 HA LYS 83 HA LYS 83 13.288 2.900 6.054 648 HB2 LYS 83 1HB LYS 83 14.970 3.113 3.823 649 HB3 LYS 83 2HB LYS 83 13.577 4.095 3.416 650 HG2 LYS 83 1HG LYS 83 15.023 4.302 6.096 651 HG3 LYS 83 2HG LYS 83 15.440 5.291 4.711 652 HD2 LYS 83 1HD LYS 83 13.063 6.131 4.630 653 HD3 LYS 83 2HD LYS 83 12.701 5.188 6.062 654 HE2 LYS 83 1HE LYS 83 14.479 6.452 7.320 655 HE3 LYS 83 2HE LYS 83 14.786 7.418 5.891 656 HZ1 LYS 83 2HZ LYS 83 12.029 7.275 6.900 657 HZ3 LYS 83 1HZ LYS 83 12.760 8.494 6.104 658 H VAL 84 H VAL 84 12.153 1.909 2.752 659 HA VAL 84 HA VAL 84 9.745 3.342 2.934 660 HB VAL 84 HB VAL 84 9.144 2.204 0.948 661 HG11 VAL 84 1HG1 VAL 84 11.633 3.470 1.264 662 HG12 VAL 84 2HG1 VAL 84 11.951 2.051 0.238 663 HG13 VAL 84 3HG1 VAL 84 10.719 3.241 -0.246 664 HG21 VAL 84 3HG2 VAL 84 11.187 0.114 1.753 665 HG22 VAL 84 1HG2 VAL 84 9.433 -0.093 1.537 666 HG23 VAL 84 2HG2 VAL 84 10.473 0.216 0.126 667 H ILE 85 H ILE 85 10.675 -0.060 3.704 668 HA ILE 85 HA ILE 85 8.121 -0.989 4.255 669 HB ILE 85 HB ILE 85 10.881 -1.767 5.134 670 HG12 ILE 85 1HG1 ILE 85 9.744 -2.153 2.782 671 HG13 ILE 85 2HG1 ILE 85 10.767 -3.372 3.517 672 HG21 ILE 85 1HG2 ILE 85 9.794 -3.857 6.079 673 HG22 ILE 85 2HG2 ILE 85 9.645 -2.374 7.052 674 HG23 ILE 85 3HG2 ILE 85 8.265 -2.945 6.083 675 HD11 ILE 85 3HD1 ILE 85 7.798 -3.381 4.108 676 HD12 ILE 85 1HD1 ILE 85 8.402 -4.062 2.579 677 HD13 ILE 85 2HD1 ILE 85 8.950 -4.737 4.131 678 H ALA 86 H ALA 86 10.495 0.796 6.286 679 HA ALA 86 HA ALA 86 8.923 0.575 8.642 680 HB1 ALA 86 3HB ALA 86 10.527 2.427 9.388 681 HB2 ALA 86 1HB ALA 86 11.276 0.896 8.876 682 HB3 ALA 86 2HB ALA 86 11.271 2.296 7.777 683 H ASP 87 H ASP 87 8.959 2.663 5.795 684 HA ASP 87 HA ASP 87 7.536 4.755 7.075 685 HB2 ASP 87 1HB ASP 87 8.931 4.385 4.644 686 HB3 ASP 87 2HB ASP 87 7.267 4.618 4.147 687 HD2 ASP 87 HD ASP 87 7.230 7.972 5.165 688 H ILE 88 H ILE 88 6.849 1.738 5.340 689 HA ILE 88 HA ILE 88 4.078 2.449 4.893 690 HB ILE 88 HB ILE 88 5.756 1.035 3.413 691 HG12 ILE 88 1HG1 ILE 88 3.122 -0.212 3.260 692 HG13 ILE 88 2HG1 ILE 88 3.009 1.526 3.459 693 HG21 ILE 88 1HG2 ILE 88 4.523 -1.016 5.265 694 HG22 ILE 88 2HG2 ILE 88 5.222 -1.402 3.674 695 HG23 ILE 88 3HG2 ILE 88 6.250 -0.716 4.955 696 HD11 ILE 88 3HD1 ILE 88 3.200 0.647 1.040 697 HD12 ILE 88 1HD1 ILE 88 4.315 1.957 1.497 698 HD13 ILE 88 2HD1 ILE 88 4.898 0.277 1.425 699 H TYR 89 H TYR 89 5.931 -0.126 6.670 700 HA TYR 89 HA TYR 89 4.768 0.101 9.082 701 HB2 TYR 89 1HB TYR 89 2.912 -1.702 8.839 702 HB3 TYR 89 2HB TYR 89 2.545 -0.168 8.075 703 HD1 TYR 89 2HD TYR 89 4.064 -3.504 7.279 704 HD2 TYR 89 1HD TYR 89 1.830 -0.144 5.855 705 HE1 TYR 89 2HE TYR 89 3.675 -4.691 5.065 706 HE2 TYR 89 1HE TYR 89 1.449 -1.343 3.646 707 HH TYR 89 HH TYR 89 1.894 -3.082 2.445 708 HA PRO 90 HA PRO 90 7.409 -3.305 9.515 709 HB2 PRO 90 2HB PRO 90 8.089 -2.596 11.598 710 HB3 PRO 90 1HB PRO 90 7.030 -3.874 12.161 711 HG2 PRO 90 1HG PRO 90 5.404 -2.376 12.816 712 HG3 PRO 90 2HG PRO 90 6.635 -1.141 12.642 713 HD2 PRO 90 1HD PRO 90 4.260 -1.432 11.060 714 HD3 PRO 90 2HD PRO 90 5.548 -0.269 10.814 715 H GLY 91 H GLY 91 7.217 -5.541 11.153 716 HA2 GLY 91 1HA GLY 91 6.093 -7.500 11.389 717 HA3 GLY 91 2HA GLY 91 4.667 -6.781 10.667 718 H GLN 92 H GLN 92 7.198 -9.006 10.206 719 HA GLN 92 HA GLN 92 6.785 -8.896 7.319 720 HB2 GLN 92 1HB GLN 92 9.181 -8.606 8.491 721 HB3 GLN 92 2HB GLN 92 9.129 -10.358 8.520 722 HG2 GLN 92 1HG GLN 92 8.344 -9.073 5.929 723 HG3 GLN 92 2HG GLN 92 10.029 -8.910 6.381 724 HE21 GLN 92 2HE2 GLN 92 9.211 -12.084 4.407 725 HE22 GLN 92 1HE2 GLN 92 8.700 -10.438 4.243 726 H THR 93 H THR 93 4.709 -10.097 8.153 727 HA THR 93 HA THR 93 5.234 -12.931 7.808 728 HB THR 93 HB THR 93 4.136 -13.577 9.870 729 HG1 THR 93 1HG THR 93 2.490 -11.970 9.942 730 HG21 THR 93 3HG2 THR 93 5.480 -12.575 11.620 731 HG22 THR 93 1HG2 THR 93 6.515 -12.603 10.172 732 HG23 THR 93 2HG2 THR 93 5.722 -11.089 10.669 733 H GLN 94 H GLN 94 3.375 -14.135 7.119 734 HA GLN 94 HA GLN 94 1.937 -13.037 5.210 735 HB2 GLN 94 1HB GLN 94 1.244 -15.260 7.144 736 HB3 GLN 94 2HB GLN 94 0.098 -14.806 5.899 737 HG2 GLN 94 1HG GLN 94 1.388 -15.671 4.199 738 HG3 GLN 94 2HG GLN 94 2.890 -15.127 4.919 739 HE21 GLN 94 2HE2 GLN 94 3.220 -18.705 5.115 740 HE22 GLN 94 1HE2 GLN 94 3.346 -17.373 4.014 741 H PHE 95 H PHE 95 -0.029 -11.903 4.902 742 HA PHE 95 HA PHE 95 -1.703 -11.322 7.143 743 HB2 PHE 95 1HB PHE 95 0.448 -9.494 6.118 744 HB3 PHE 95 2HB PHE 95 -1.122 -8.728 6.249 745 HD1 PHE 95 2HD PHE 95 -2.329 -9.614 8.625 746 HD2 PHE 95 1HD PHE 95 1.808 -9.005 7.901 747 HE1 PHE 95 2HE PHE 95 -1.951 -9.260 11.081 748 HE2 PHE 95 1HE PHE 95 2.186 -8.651 10.358 749 HZ PHE 95 HZ PHE 95 0.301 -8.783 11.918 750 H TYR 96 H TYR 96 -3.244 -9.297 6.293 751 HA TYR 96 HA TYR 96 -4.493 -10.403 3.977 752 HB2 TYR 96 1HB TYR 96 -4.981 -8.620 6.233 753 HB3 TYR 96 2HB TYR 96 -5.386 -7.732 4.778 754 HD1 TYR 96 1HD TYR 96 -6.097 -10.905 6.607 755 HD2 TYR 96 2HD TYR 96 -7.435 -8.105 3.661 756 HE1 TYR 96 1HE TYR 96 -8.356 -12.069 6.515 757 HE2 TYR 96 2HE TYR 96 -9.689 -9.278 3.580 758 HH TYR 96 HH TYR 96 -11.023 -10.690 4.736 759 H VAL 97 H VAL 97 -4.761 -9.473 1.912 760 HA VAL 97 HA VAL 97 -3.136 -7.089 1.397 761 HB VAL 97 HB VAL 97 -3.108 -9.720 -0.083 762 HG11 VAL 97 1HG1 VAL 97 -2.518 -8.730 -1.997 763 HG12 VAL 97 2HG1 VAL 97 -3.039 -7.189 -1.274 764 HG13 VAL 97 3HG1 VAL 97 -1.333 -7.689 -1.172 765 HG21 VAL 97 3HG2 VAL 97 -1.377 -8.457 1.860 766 HG22 VAL 97 1HG2 VAL 97 -1.283 -10.086 1.148 767 HG23 VAL 97 2HG2 VAL 97 -0.509 -8.710 0.327 768 H ILE 98 H ILE 98 -4.068 -5.615 -0.013 769 HA ILE 98 HA ILE 98 -6.570 -6.475 -1.277 770 HB ILE 98 HB ILE 98 -6.248 -3.771 -0.010 771 HG12 ILE 98 1HG1 ILE 98 -5.884 -5.436 1.760 772 HG13 ILE 98 2HG1 ILE 98 -7.386 -4.559 1.977 773 HG21 ILE 98 1HG2 ILE 98 -8.242 -3.399 -0.899 774 HG22 ILE 98 2HG2 ILE 98 -8.210 -5.013 -1.648 775 HG23 ILE 98 3HG2 ILE 98 -8.913 -4.798 -0.027 776 HD11 ILE 98 3HD1 ILE 98 -6.978 -7.416 1.638 777 HD12 ILE 98 1HD1 ILE 98 -8.470 -6.543 2.066 778 HD13 ILE 98 2HD1 ILE 98 -8.049 -6.801 0.356 779 H GLU 99 H GLU 99 -6.444 -6.225 -3.436 780 HA GLU 99 HA GLU 99 -4.399 -4.425 -4.411 781 HB2 GLU 99 1HB GLU 99 -4.895 -6.963 -5.142 782 HB3 GLU 99 2HB GLU 99 -6.018 -6.185 -6.240 783 HG2 GLU 99 1HG GLU 99 -3.310 -4.931 -6.114 784 HG3 GLU 99 2HG GLU 99 -3.341 -6.556 -6.769 785 HE2 GLU 99 HE GLU 99 -2.872 -4.156 -8.152 786 H PHE 100 H PHE 100 -4.842 -2.715 -5.899 787 HA PHE 100 HA PHE 100 -7.619 -2.248 -6.581 788 HB2 PHE 100 1HB PHE 100 -7.587 -0.030 -5.515 789 HB3 PHE 100 2HB PHE 100 -7.078 -1.185 -4.300 790 HD1 PHE 100 2HD PHE 100 -4.585 -1.446 -3.862 791 HD2 PHE 100 1HD PHE 100 -6.195 1.762 -6.126 792 HE1 PHE 100 2HE PHE 100 -2.480 -0.130 -3.493 793 HE2 PHE 100 1HE PHE 100 -4.090 3.079 -5.756 794 HZ PHE 100 HZ PHE 100 -2.258 2.117 -4.444 795 H LYS 101 H LYS 101 -7.728 -0.081 -7.943 796 HA LYS 101 HA LYS 101 -5.241 0.405 -9.358 797 HB2 LYS 101 1HB LYS 101 -6.064 -0.158 -11.512 798 HB3 LYS 101 2HB LYS 101 -6.349 -1.547 -10.484 799 HG2 LYS 101 1HG LYS 101 -8.666 -1.241 -10.457 800 HG3 LYS 101 2HG LYS 101 -8.552 0.496 -10.662 801 HD2 LYS 101 1HD LYS 101 -7.526 -0.195 -13.049 802 HD3 LYS 101 2HD LYS 101 -8.414 -1.676 -12.753 803 HE2 LYS 101 1HE LYS 101 -10.451 -0.130 -12.208 804 HE3 LYS 101 2HE LYS 101 -9.518 1.154 -12.952 805 HZ1 LYS 101 2HZ LYS 101 -9.366 -0.230 -14.974 806 HZ3 LYS 101 1HZ LYS 101 -10.922 0.065 -14.594 807 H CYS 102 H CYS 102 -5.304 2.400 -10.610 808 HA CYS 102 HA CYS 102 -7.208 4.235 -9.433 809 HB2 CYS 102 1HB CYS 102 -4.523 4.462 -9.900 810 HB3 CYS 102 2HB CYS 102 -5.168 5.279 -11.309 811 HG CYS 102 HG CYS 102 -4.960 7.261 -9.883 812 H LEU 103 H LEU 103 -7.537 6.172 -11.371 813 HA LEU 103 HA LEU 103 -8.347 4.829 -13.817 814 HB2 LEU 103 1HB LEU 103 -10.594 5.974 -13.651 815 HB3 LEU 103 2HB LEU 103 -10.343 4.539 -12.678 816 HG LEU 103 HG LEU 103 -9.758 6.186 -10.761 817 HD11 LEU 103 1HD1 LEU 103 -9.529 8.247 -11.866 818 HD12 LEU 103 2HD1 LEU 103 -11.052 8.037 -12.764 819 HD13 LEU 103 3HD1 LEU 103 -11.088 8.350 -11.012 820 HD21 LEU 103 3HD2 LEU 103 -11.718 5.494 -9.992 821 HD22 LEU 103 1HD2 LEU 103 -12.584 6.606 -11.079 822 HD23 LEU 103 2HD2 LEU 103 -12.151 4.972 -11.638 Start of MODEL 11 1 H1 MET 1 1H MET 1 -13.755 13.452 13.093 2 HA MET 1 HA MET 1 -13.793 11.629 14.583 3 HB2 MET 1 1HB MET 1 -15.852 11.939 12.433 4 HB3 MET 1 2HB MET 1 -15.954 10.419 13.298 5 HG2 MET 1 1HG MET 1 -16.067 11.631 15.468 6 HG3 MET 1 2HG MET 1 -15.883 13.165 14.642 7 HE1 MET 1 3HE MET 1 -17.736 13.939 15.878 8 HE2 MET 1 1HE MET 1 -19.438 13.790 15.379 9 HE3 MET 1 2HE MET 1 -18.734 12.606 16.506 10 H GLN 2 H GLN 2 -13.460 10.731 11.130 11 HA GLN 2 HA GLN 2 -12.465 8.154 12.061 12 HB2 GLN 2 1HB GLN 2 -14.640 7.763 11.024 13 HB3 GLN 2 2HB GLN 2 -14.202 8.719 9.622 14 HG2 GLN 2 1HG GLN 2 -12.254 7.042 9.272 15 HG3 GLN 2 2HG GLN 2 -13.042 6.032 10.468 16 HE21 GLN 2 2HE2 GLN 2 -14.390 6.318 6.628 17 HE22 GLN 2 1HE2 GLN 2 -13.031 7.196 7.245 18 HA PRO 3 HA PRO 3 -8.982 9.492 9.799 19 HB2 PRO 3 2HB PRO 3 -7.538 8.593 11.350 20 HB3 PRO 3 1HB PRO 3 -7.395 7.300 10.176 21 HG2 PRO 3 1HG PRO 3 -8.711 5.880 11.429 22 HG3 PRO 3 2HG PRO 3 -8.482 7.016 12.744 23 HD2 PRO 3 1HD PRO 3 -10.944 6.425 11.396 24 HD3 PRO 3 2HD PRO 3 -10.691 7.642 12.631 25 H ASN 4 H ASN 4 -7.335 8.528 8.094 26 HA ASN 4 HA ASN 4 -8.839 8.131 5.864 27 HB2 ASN 4 1HB ASN 4 -6.347 8.732 6.027 28 HB3 ASN 4 2HB ASN 4 -6.015 7.035 6.313 29 HD21 ASN 4 2HD2 ASN 4 -6.844 8.507 2.588 30 HD22 ASN 4 1HD2 ASN 4 -6.893 9.463 4.031 31 H ASP 5 H ASP 5 -8.525 6.009 4.383 32 HA ASP 5 HA ASP 5 -9.533 3.853 5.971 33 HB2 ASP 5 1HB ASP 5 -8.972 3.908 2.972 34 HB3 ASP 5 2HB ASP 5 -10.027 2.793 3.818 35 HD2 ASP 5 HD ASP 5 -12.278 5.142 2.368 36 H ILE 6 H ILE 6 -6.721 4.690 3.860 37 HA ILE 6 HA ILE 6 -5.050 2.851 5.234 38 HB ILE 6 HB ILE 6 -6.004 1.153 3.948 39 HG12 ILE 6 1HG1 ILE 6 -3.508 2.061 2.483 40 HG13 ILE 6 2HG1 ILE 6 -3.539 1.150 3.979 41 HG21 ILE 6 1HG2 ILE 6 -6.258 1.304 1.465 42 HG22 ILE 6 2HG2 ILE 6 -7.313 2.404 2.383 43 HG23 ILE 6 3HG2 ILE 6 -5.855 3.034 1.580 44 HD11 ILE 6 3HD1 ILE 6 -3.498 -0.700 2.652 45 HD12 ILE 6 1HD1 ILE 6 -5.219 -0.357 2.349 46 HD13 ILE 6 2HD1 ILE 6 -3.981 0.225 1.210 47 H THR 7 H THR 7 -2.868 3.388 4.951 48 HA THR 7 HA THR 7 -2.463 5.800 3.324 49 HB THR 7 HB THR 7 -0.344 5.836 4.903 50 HG1 THR 7 1HG THR 7 -0.634 3.670 5.707 51 HG21 THR 7 3HG2 THR 7 -2.210 7.415 5.298 52 HG22 THR 7 1HG2 THR 7 -3.181 6.114 6.029 53 HG23 THR 7 2HG2 THR 7 -1.711 6.695 6.848 54 H PHE 8 H PHE 8 -0.139 6.016 2.444 55 HA PHE 8 HA PHE 8 1.090 3.529 1.732 56 HB2 PHE 8 1HB PHE 8 -0.086 5.384 -0.418 57 HB3 PHE 8 2HB PHE 8 0.680 3.833 -0.699 58 HD1 PHE 8 2HD PHE 8 -2.338 5.474 0.638 59 HD2 PHE 8 1HD PHE 8 -0.546 1.797 -0.492 60 HE1 PHE 8 2HE PHE 8 -4.577 4.347 0.755 61 HE2 PHE 8 1HE PHE 8 -2.785 0.670 -0.375 62 HZ PHE 8 HZ PHE 8 -4.774 1.958 0.248 63 H PHE 9 H PHE 9 3.266 3.845 1.420 64 HA PHE 9 HA PHE 9 4.455 6.219 2.038 65 HB2 PHE 9 1HB PHE 9 6.382 5.071 0.592 66 HB3 PHE 9 2HB PHE 9 5.807 4.248 2.028 67 HD1 PHE 9 1HD PHE 9 5.795 4.251 -1.633 68 HD2 PHE 9 2HD PHE 9 4.482 2.226 1.858 69 HE1 PHE 9 1HE PHE 9 5.226 2.235 -3.016 70 HE2 PHE 9 2HE PHE 9 3.913 0.210 0.475 71 HZ PHE 9 HZ PHE 9 4.292 0.239 -1.946 72 H GLN 10 H GLN 10 6.289 7.081 0.245 73 HA GLN 10 HA GLN 10 4.704 8.632 -1.474 74 HB2 GLN 10 1HB GLN 10 6.692 9.620 -0.560 75 HB3 GLN 10 2HB GLN 10 7.702 8.296 -1.107 76 HG2 GLN 10 1HG GLN 10 7.955 9.201 -3.187 77 HG3 GLN 10 2HG GLN 10 6.243 9.539 -3.342 78 HE21 GLN 10 2HE2 GLN 10 6.344 12.862 -2.200 79 HE22 GLN 10 1HE2 GLN 10 5.373 11.457 -2.487 80 H ARG 11 H ARG 11 7.029 5.901 -1.966 81 HA ARG 11 HA ARG 11 7.111 5.888 -4.656 82 HB2 ARG 11 1HB ARG 11 6.843 3.331 -3.011 83 HB3 ARG 11 2HB ARG 11 7.758 3.551 -4.489 84 HG2 ARG 11 1HG ARG 11 8.858 5.504 -2.838 85 HG3 ARG 11 2HG ARG 11 8.498 4.226 -1.694 86 HD2 ARG 11 1HD ARG 11 10.584 3.483 -2.379 87 HD3 ARG 11 2HD ARG 11 9.620 2.688 -3.607 88 HE ARG 11 HE ARG 11 10.448 5.415 -4.328 89 HH11 ARG 11 2HH2 ARG 11 11.313 1.981 -4.444 90 HH12 ARG 11 1HH2 ARG 11 12.391 2.170 -5.786 91 HH21 ARG 11 1HH ARG 11 12.703 4.345 -6.743 92 H PHE 12 H PHE 12 4.413 5.110 -2.535 93 HA PHE 12 HA PHE 12 2.989 3.579 -4.492 94 HB2 PHE 12 1HB PHE 12 2.825 4.466 -1.671 95 HB3 PHE 12 2HB PHE 12 1.267 4.628 -2.456 96 HD1 PHE 12 1HD PHE 12 1.524 2.257 -4.343 97 HD2 PHE 12 2HD PHE 12 2.349 2.684 -0.202 98 HE1 PHE 12 1HE PHE 12 1.100 -0.194 -4.006 99 HE2 PHE 12 2HE PHE 12 1.925 0.233 0.135 100 HZ PHE 12 HZ PHE 12 1.305 -1.177 -1.771 101 H GLN 13 H GLN 13 3.130 6.973 -3.361 102 HA GLN 13 HA GLN 13 0.749 7.761 -4.581 103 HB2 GLN 13 1HB GLN 13 2.999 9.010 -3.181 104 HB3 GLN 13 2HB GLN 13 2.448 10.015 -4.506 105 HG2 GLN 13 1HG GLN 13 0.169 8.894 -3.043 106 HG3 GLN 13 2HG GLN 13 1.244 9.746 -1.952 107 HE21 GLN 13 2HE2 GLN 13 0.895 12.953 -3.497 108 HE22 GLN 13 1HE2 GLN 13 2.026 11.902 -2.713 109 H ASP 14 H ASP 14 4.186 7.679 -5.666 110 HA ASP 14 HA ASP 14 3.666 9.012 -8.074 111 HB2 ASP 14 1HB ASP 14 5.928 9.022 -7.391 112 HB3 ASP 14 2HB ASP 14 5.909 7.324 -6.956 113 HD2 ASP 14 HD ASP 14 5.713 9.179 -10.082 114 H ASP 15 H ASP 15 4.240 5.532 -7.155 115 HA ASP 15 HA ASP 15 3.999 4.439 -9.630 116 HB2 ASP 15 1HB ASP 15 3.550 3.519 -6.817 117 HB3 ASP 15 2HB ASP 15 2.829 2.513 -8.057 118 HD2 ASP 15 HD ASP 15 4.340 0.778 -8.293 119 H ILE 16 H ILE 16 1.465 5.130 -7.118 120 HA ILE 16 HA ILE 16 -0.695 4.042 -8.477 121 HB ILE 16 HB ILE 16 -0.399 6.179 -6.388 122 HG12 ILE 16 1HG1 ILE 16 -1.712 3.466 -6.175 123 HG13 ILE 16 2HG1 ILE 16 0.015 3.679 -5.966 124 HG21 ILE 16 1HG2 ILE 16 -2.988 5.729 -6.163 125 HG22 ILE 16 2HG2 ILE 16 -2.358 6.980 -7.261 126 HG23 ILE 16 3HG2 ILE 16 -2.853 5.396 -7.907 127 HD11 ILE 16 3HD1 ILE 16 -2.239 4.824 -4.289 128 HD12 ILE 16 1HD1 ILE 16 -0.836 3.863 -3.763 129 HD13 ILE 16 2HD1 ILE 16 -0.619 5.558 -4.260 130 H LEU 17 H LEU 17 0.764 7.342 -8.585 131 HA LEU 17 HA LEU 17 -1.161 8.481 -10.233 132 HB2 LEU 17 1HB LEU 17 0.076 10.253 -9.837 133 HB3 LEU 17 2HB LEU 17 1.225 9.230 -8.997 134 HG LEU 17 HG LEU 17 2.210 8.829 -11.402 135 HD11 LEU 17 1HD1 LEU 17 0.199 10.191 -12.350 136 HD12 LEU 17 2HD1 LEU 17 1.177 11.606 -11.890 137 HD13 LEU 17 3HD1 LEU 17 1.826 10.412 -13.039 138 HD21 LEU 17 3HD2 LEU 17 2.794 10.580 -9.258 139 HD22 LEU 17 1HD2 LEU 17 3.899 9.943 -10.499 140 HD23 LEU 17 2HD2 LEU 17 3.063 11.492 -10.762 141 H ALA 18 H ALA 18 1.359 6.121 -10.867 142 HA ALA 18 HA ALA 18 1.464 6.635 -13.681 143 HB1 ALA 18 3HB ALA 18 2.410 4.029 -13.076 144 HB2 ALA 18 1HB ALA 18 3.373 5.502 -13.340 145 HB3 ALA 18 2HB ALA 18 2.859 5.058 -11.695 146 H GLY 19 H GLY 19 -0.977 5.531 -11.721 147 HA2 GLY 19 1HA GLY 19 -2.828 4.297 -12.043 148 HA3 GLY 19 2HA GLY 19 -2.616 4.630 -13.750 149 H ARG 20 H ARG 20 -0.742 2.660 -11.328 150 HA ARG 20 HA ARG 20 -0.973 0.474 -13.237 151 HB2 ARG 20 1HB ARG 20 1.253 1.286 -11.330 152 HB3 ARG 20 2HB ARG 20 1.147 -0.368 -11.899 153 HG2 ARG 20 1HG ARG 20 1.205 0.440 -14.266 154 HG3 ARG 20 2HG ARG 20 1.301 2.096 -13.701 155 HD2 ARG 20 1HD ARG 20 3.483 1.746 -12.721 156 HD3 ARG 20 2HD ARG 20 3.348 0.004 -12.853 157 HE ARG 20 HE ARG 20 3.101 1.178 -15.468 158 HH11 ARG 20 2HH2 ARG 20 5.531 0.520 -12.975 159 HH12 ARG 20 1HH2 ARG 20 6.844 0.440 -14.101 160 HH21 ARG 20 1HH ARG 20 6.412 0.768 -16.435 161 H LYS 21 H LYS 21 -2.739 -0.704 -12.447 162 HA LYS 21 HA LYS 21 -3.730 -0.880 -9.983 163 HB2 LYS 21 1HB LYS 21 -4.595 -3.088 -10.588 164 HB3 LYS 21 2HB LYS 21 -4.720 -1.961 -11.923 165 HG2 LYS 21 1HG LYS 21 -2.284 -2.982 -12.514 166 HG3 LYS 21 2HG LYS 21 -2.910 -4.346 -11.610 167 HD2 LYS 21 1HD LYS 21 -4.712 -4.696 -13.126 168 HD3 LYS 21 2HD LYS 21 -4.608 -3.072 -13.777 169 HE2 LYS 21 1HE LYS 21 -2.144 -4.738 -14.103 170 HE3 LYS 21 2HE LYS 21 -3.542 -5.283 -15.008 171 HZ1 LYS 21 2HZ LYS 21 -1.913 -2.995 -15.492 172 HZ3 LYS 21 1HZ LYS 21 -3.478 -2.556 -15.389 173 H THR 22 H THR 22 -2.488 -0.846 -8.149 174 HA THR 22 HA THR 22 -0.505 -3.011 -7.897 175 HB THR 22 HB THR 22 -0.663 -0.216 -6.652 176 HG1 THR 22 1HG THR 22 1.273 -0.054 -8.029 177 HG21 THR 22 3HG2 THR 22 0.411 -1.770 -5.044 178 HG22 THR 22 1HG2 THR 22 1.407 -2.455 -6.350 179 HG23 THR 22 2HG2 THR 22 1.657 -0.771 -5.830 180 H ILE 23 H ILE 23 -0.361 -4.165 -5.910 181 HA ILE 23 HA ILE 23 -2.962 -4.296 -4.602 182 HB ILE 23 HB ILE 23 -0.902 -6.261 -3.893 183 HG12 ILE 23 1HG1 ILE 23 -1.516 -7.395 -6.237 184 HG13 ILE 23 2HG1 ILE 23 -1.578 -5.721 -6.750 185 HG21 ILE 23 1HG2 ILE 23 -3.582 -6.858 -5.100 186 HG22 ILE 23 2HG2 ILE 23 -2.678 -7.727 -3.837 187 HG23 ILE 23 3HG2 ILE 23 -3.480 -6.184 -3.456 188 HD11 ILE 23 3HD1 ILE 23 0.680 -5.652 -6.828 189 HD12 ILE 23 1HD1 ILE 23 0.754 -6.028 -5.089 190 HD13 ILE 23 2HD1 ILE 23 0.744 -7.346 -6.285 191 H THR 24 H THR 24 -2.977 -4.631 -2.181 192 HA THR 24 HA THR 24 -0.745 -3.216 -0.897 193 HB THR 24 HB THR 24 -2.339 -1.811 0.303 194 HG1 THR 24 1HG THR 24 -4.527 -2.415 0.262 195 HG21 THR 24 3HG2 THR 24 -3.216 -2.066 -2.623 196 HG22 THR 24 1HG2 THR 24 -3.666 -0.726 -1.543 197 HG23 THR 24 2HG2 THR 24 -1.963 -0.964 -2.002 198 H ILE 25 H ILE 25 -0.995 -3.425 1.610 199 HA ILE 25 HA ILE 25 -1.994 -6.116 2.202 200 HB ILE 25 HB ILE 25 0.683 -5.002 3.048 201 HG12 ILE 25 1HG1 ILE 25 1.354 -7.161 1.650 202 HG13 ILE 25 2HG1 ILE 25 -0.149 -6.817 0.818 203 HG21 ILE 25 1HG2 ILE 25 0.073 -7.868 3.403 204 HG22 ILE 25 2HG2 ILE 25 0.933 -6.727 4.465 205 HG23 ILE 25 3HG2 ILE 25 -0.846 -6.758 4.447 206 HD11 ILE 25 3HD1 ILE 25 0.582 -4.628 0.157 207 HD12 ILE 25 1HD1 ILE 25 1.944 -4.660 1.302 208 HD13 ILE 25 2HD1 ILE 25 1.967 -5.706 -0.139 209 H ARG 26 H ARG 26 -3.207 -6.238 4.040 210 HA ARG 26 HA ARG 26 -3.042 -3.917 5.788 211 HB2 ARG 26 1HB ARG 26 -5.680 -5.259 5.749 212 HB3 ARG 26 2HB ARG 26 -5.306 -3.549 5.661 213 HG2 ARG 26 1HG ARG 26 -4.846 -5.401 3.288 214 HG3 ARG 26 2HG ARG 26 -6.403 -4.649 3.574 215 HD2 ARG 26 1HD ARG 26 -3.746 -3.266 3.019 216 HD3 ARG 26 2HD ARG 26 -5.210 -3.193 2.060 217 HE ARG 26 HE ARG 26 -6.225 -1.764 3.730 218 HH11 ARG 26 2HH2 ARG 26 -2.847 -2.563 4.444 219 HH12 ARG 26 1HH2 ARG 26 -2.651 -1.267 5.576 220 HH21 ARG 26 1HH ARG 26 -4.497 0.196 6.019 221 H ASP 27 H ASP 27 -4.288 -4.517 8.004 222 HA ASP 27 HA ASP 27 -3.270 -7.145 8.720 223 HB2 ASP 27 1HB ASP 27 -2.225 -5.521 10.100 224 HB3 ASP 27 2HB ASP 27 -3.679 -4.552 10.227 225 HD2 ASP 27 HD ASP 27 -2.512 -5.619 12.971 226 H GLU 28 H GLU 28 -4.780 -8.707 9.384 227 HA GLU 28 HA GLU 28 -7.431 -8.393 8.946 228 HB2 GLU 28 1HB GLU 28 -6.650 -10.608 9.135 229 HB3 GLU 28 2HB GLU 28 -5.826 -10.303 10.651 230 HG2 GLU 28 1HG GLU 28 -7.865 -11.638 11.044 231 HG3 GLU 28 2HG GLU 28 -8.010 -10.073 11.819 232 HE2 GLU 28 HE GLU 28 -10.845 -10.795 10.915 233 H SER 29 H SER 29 -5.588 -7.893 12.006 234 HA SER 29 HA SER 29 -7.808 -7.511 13.616 235 HB2 SER 29 1HB SER 29 -5.997 -7.715 14.985 236 HB3 SER 29 2HB SER 29 -4.893 -7.088 13.777 237 HG SER 29 HG SER 29 -5.415 -5.802 15.883 238 H GLU 30 H GLU 30 -6.551 -5.624 11.032 239 HA GLU 30 HA GLU 30 -7.979 -3.296 12.062 240 HB2 GLU 30 1HB GLU 30 -5.413 -3.518 10.482 241 HB3 GLU 30 2HB GLU 30 -6.412 -2.091 10.286 242 HG2 GLU 30 1HG GLU 30 -5.795 -3.022 13.092 243 HG3 GLU 30 2HG GLU 30 -4.523 -2.225 12.188 244 HE2 GLU 30 HE GLU 30 -6.376 -0.118 10.916 245 H SER 31 H SER 31 -8.619 -5.835 10.290 246 HA SER 31 HA SER 31 -8.975 -5.344 7.731 247 HB2 SER 31 1HB SER 31 -10.183 -7.237 7.945 248 HB3 SER 31 2HB SER 31 -10.205 -7.013 9.683 249 HG SER 31 HG SER 31 -12.279 -6.849 7.962 250 H HIS 32 H HIS 32 -9.353 -3.257 6.948 251 HA HIS 32 HA HIS 32 -11.516 -1.736 8.110 252 HB2 HIS 32 1HB HIS 32 -10.700 0.090 6.748 253 HB3 HIS 32 2HB HIS 32 -9.378 -0.643 7.635 254 HD1 HIS 32 1HD HIS 32 -8.580 0.979 5.243 255 HD2 HIS 32 2HD HIS 32 -9.554 -3.091 4.954 256 HE1 HIS 32 1HE HIS 32 -7.473 0.130 3.107 257 H PHE 33 H PHE 33 -11.570 -0.570 5.103 258 HA PHE 33 HA PHE 33 -14.052 -1.502 4.452 259 HB2 PHE 33 1HB PHE 33 -11.666 -0.266 3.056 260 HB3 PHE 33 2HB PHE 33 -12.921 -0.897 2.009 261 HD1 PHE 33 2HD PHE 33 -12.249 1.528 4.717 262 HD2 PHE 33 1HD PHE 33 -14.955 0.277 1.697 263 HE1 PHE 33 2HE PHE 33 -13.565 3.644 5.019 264 HE2 PHE 33 1HE PHE 33 -16.271 2.392 1.999 265 HZ PHE 33 HZ PHE 33 -15.560 4.051 3.656 266 H LYS 34 H LYS 34 -14.207 -2.469 1.898 267 HA LYS 34 HA LYS 34 -12.605 -4.909 1.860 268 HB2 LYS 34 1HB LYS 34 -15.577 -4.727 2.173 269 HB3 LYS 34 2HB LYS 34 -14.927 -6.004 1.165 270 HG2 LYS 34 1HG LYS 34 -13.543 -5.615 3.789 271 HG3 LYS 34 2HG LYS 34 -15.195 -6.192 3.891 272 HD2 LYS 34 1HD LYS 34 -14.362 -7.866 1.955 273 HD3 LYS 34 2HD LYS 34 -12.790 -7.524 2.649 274 HE2 LYS 34 1HE LYS 34 -14.955 -8.149 4.620 275 HE3 LYS 34 2HE LYS 34 -14.477 -9.477 3.582 276 HZ1 LYS 34 2HZ LYS 34 -12.506 -7.857 5.097 277 HZ3 LYS 34 1HZ LYS 34 -12.223 -9.263 4.325 278 H THR 35 H THR 35 -13.735 -6.125 -0.363 279 HA THR 35 HA THR 35 -12.754 -4.417 -2.429 280 HB THR 35 HB THR 35 -14.206 -7.106 -2.612 281 HG1 THR 35 1HG THR 35 -12.061 -7.917 -2.193 282 HG21 THR 35 3HG2 THR 35 -12.175 -5.619 -4.346 283 HG22 THR 35 1HG2 THR 35 -12.443 -7.374 -4.482 284 HG23 THR 35 2HG2 THR 35 -13.770 -6.240 -4.836 285 H GLY 36 H GLY 36 -13.978 -3.983 -4.471 286 HA2 GLY 36 1HA GLY 36 -15.723 -3.070 -5.556 287 HA3 GLY 36 2HA GLY 36 -16.796 -3.969 -4.500 288 H ASP 37 H ASP 37 -14.443 -1.934 -2.890 289 HA ASP 37 HA ASP 37 -16.539 0.060 -2.517 290 HB2 ASP 37 1HB ASP 37 -15.178 -1.595 -0.583 291 HB3 ASP 37 2HB ASP 37 -14.657 0.057 -0.321 292 HD2 ASP 37 HD ASP 37 -18.266 0.836 0.088 293 H VAL 38 H VAL 38 -14.992 1.942 -1.043 294 HA VAL 38 HA VAL 38 -12.947 2.641 -3.026 295 HB VAL 38 HB VAL 38 -15.095 4.072 -1.725 296 HG11 VAL 38 1HG1 VAL 38 -13.453 4.853 -0.135 297 HG12 VAL 38 2HG1 VAL 38 -12.308 5.241 -1.441 298 HG13 VAL 38 3HG1 VAL 38 -13.817 6.171 -1.275 299 HG21 VAL 38 3HG2 VAL 38 -13.159 4.686 -3.976 300 HG22 VAL 38 1HG2 VAL 38 -14.841 4.119 -4.102 301 HG23 VAL 38 2HG2 VAL 38 -14.498 5.761 -3.506 302 H LEU 39 H LEU 39 -10.883 3.402 -2.307 303 HA LEU 39 HA LEU 39 -10.358 2.911 0.535 304 HB2 LEU 39 1HB LEU 39 -8.961 1.758 -1.857 305 HB3 LEU 39 2HB LEU 39 -8.084 2.028 -0.364 306 HG LEU 39 HG LEU 39 -10.634 0.410 -0.456 307 HD11 LEU 39 1HD1 LEU 39 -8.068 -1.051 -0.329 308 HD12 LEU 39 2HD1 LEU 39 -9.595 -1.464 -1.144 309 HD13 LEU 39 3HD1 LEU 39 -8.463 -0.320 -1.903 310 HD21 LEU 39 3HD2 LEU 39 -9.416 -0.634 1.589 311 HD22 LEU 39 1HD2 LEU 39 -8.458 0.866 1.566 312 HD23 LEU 39 2HD2 LEU 39 -10.226 0.942 1.760 313 H ARG 40 H ARG 40 -10.030 4.958 1.277 314 HA ARG 40 HA ARG 40 -9.084 6.997 -0.332 315 HB2 ARG 40 1HB ARG 40 -10.132 6.745 2.261 316 HB3 ARG 40 2HB ARG 40 -8.503 7.319 2.556 317 HG2 ARG 40 1HG ARG 40 -8.853 9.348 1.431 318 HG3 ARG 40 2HG ARG 40 -10.097 8.684 0.390 319 HD2 ARG 40 1HD ARG 40 -10.976 8.496 3.158 320 HD3 ARG 40 2HD ARG 40 -10.453 10.137 2.834 321 HE ARG 40 HE ARG 40 -12.061 9.258 0.636 322 HH11 ARG 40 2HH2 ARG 40 -12.405 10.122 4.055 323 HH12 ARG 40 1HH2 ARG 40 -14.051 10.632 3.888 324 HH21 ARG 40 1HH ARG 40 -15.106 10.511 1.740 325 H VAL 41 H VAL 41 -6.992 7.894 -0.631 326 HA VAL 41 HA VAL 41 -4.806 6.524 0.760 327 HB VAL 41 HB VAL 41 -3.635 6.112 -1.184 328 HG11 VAL 41 1HG1 VAL 41 -6.564 5.710 -1.876 329 HG12 VAL 41 2HG1 VAL 41 -5.205 4.969 -2.754 330 HG13 VAL 41 3HG1 VAL 41 -5.486 4.564 -1.044 331 HG21 VAL 41 3HG2 VAL 41 -4.060 7.102 -3.361 332 HG22 VAL 41 1HG2 VAL 41 -5.512 7.924 -2.739 333 HG23 VAL 41 2HG2 VAL 41 -3.902 8.389 -2.141 334 H GLY 42 H GLY 42 -2.680 7.844 0.428 335 HA2 GLY 42 1HA GLY 42 -2.985 10.643 -0.126 336 HA3 GLY 42 2HA GLY 42 -2.912 10.304 1.592 337 H ARG 43 H ARG 43 -0.934 9.929 2.565 338 HA ARG 43 HA ARG 43 1.218 8.920 1.033 339 HB2 ARG 43 1HB ARG 43 0.962 11.614 0.740 340 HB3 ARG 43 2HB ARG 43 1.871 11.602 2.239 341 HG2 ARG 43 1HG ARG 43 3.670 10.286 1.215 342 HG3 ARG 43 2HG ARG 43 2.733 10.055 -0.248 343 HD2 ARG 43 1HD ARG 43 3.279 12.124 -1.071 344 HD3 ARG 43 2HD ARG 43 3.031 12.911 0.475 345 HE ARG 43 HE ARG 43 5.450 11.235 0.335 346 HH11 ARG 43 2HH2 ARG 43 4.107 14.486 -0.088 347 HH12 ARG 43 1HH2 ARG 43 5.639 15.276 0.082 348 HH21 ARG 43 1HH ARG 43 7.604 13.957 0.462 349 H PHE 44 H PHE 44 2.507 7.739 2.442 350 HA PHE 44 HA PHE 44 1.849 7.765 5.201 351 HB2 PHE 44 1HB PHE 44 2.847 5.965 3.396 352 HB3 PHE 44 2HB PHE 44 4.373 6.536 4.040 353 HD1 PHE 44 1HD PHE 44 4.334 6.668 6.757 354 HD2 PHE 44 2HD PHE 44 1.996 4.062 4.359 355 HE1 PHE 44 1HE PHE 44 4.106 5.090 8.695 356 HE2 PHE 44 2HE PHE 44 1.768 2.483 6.297 357 HZ PHE 44 HZ PHE 44 2.826 3.016 8.442 358 H GLU 45 H GLU 45 4.233 9.394 3.180 359 HA GLU 45 HA GLU 45 6.283 9.756 4.907 360 HB2 GLU 45 1HB GLU 45 5.132 11.277 2.614 361 HB3 GLU 45 2HB GLU 45 6.192 12.201 3.660 362 HG2 GLU 45 1HG GLU 45 7.090 9.453 2.786 363 HG3 GLU 45 2HG GLU 45 7.162 10.758 1.619 364 HE2 GLU 45 HE GLU 45 10.142 11.582 2.690 365 H ASP 46 H ASP 46 3.237 11.702 4.635 366 HA ASP 46 HA ASP 46 2.738 12.092 7.181 367 HB2 ASP 46 1HB ASP 46 3.784 14.554 7.428 368 HB3 ASP 46 2HB ASP 46 4.650 13.128 7.966 369 HD2 ASP 46 HD ASP 46 4.667 13.471 4.538 370 H ASP 47 H ASP 47 1.086 12.024 5.119 371 HA ASP 47 HA ASP 47 0.183 14.763 4.849 372 HB2 ASP 47 1HB ASP 47 1.435 13.490 2.751 373 HB3 ASP 47 2HB ASP 47 -0.224 13.003 2.467 374 HD2 ASP 47 HD ASP 47 -0.300 15.447 0.440 375 H GLY 48 H GLY 48 -0.567 11.361 3.743 376 HA2 GLY 48 1HA GLY 48 -2.427 10.109 3.884 377 HA3 GLY 48 2HA GLY 48 -2.695 10.867 5.441 378 H TYR 49 H TYR 49 -4.858 10.108 3.786 379 HA TYR 49 HA TYR 49 -6.601 10.876 2.591 380 HB2 TYR 49 1HB TYR 49 -7.168 11.581 4.864 381 HB3 TYR 49 2HB TYR 49 -5.984 12.872 4.834 382 HD1 TYR 49 1HD TYR 49 -9.126 11.813 3.077 383 HD2 TYR 49 2HD TYR 49 -6.711 15.054 4.479 384 HE1 TYR 49 1HE TYR 49 -10.934 13.465 2.393 385 HE2 TYR 49 2HE TYR 49 -8.527 16.695 3.790 386 HH TYR 49 HH TYR 49 -10.555 16.929 3.060 387 H PHE 50 H PHE 50 -5.672 11.304 0.511 388 HA PHE 50 HA PHE 50 -5.439 14.175 -0.001 389 HB2 PHE 50 1HB PHE 50 -3.245 12.609 0.161 390 HB3 PHE 50 2HB PHE 50 -3.758 12.061 -1.423 391 HD1 PHE 50 1HD PHE 50 -3.507 15.387 0.277 392 HD2 PHE 50 2HD PHE 50 -2.582 13.037 -3.134 393 HE1 PHE 50 1HE PHE 50 -2.369 17.362 -0.775 394 HE2 PHE 50 2HE PHE 50 -1.444 15.012 -4.186 395 HZ PHE 50 HZ PHE 50 -1.351 17.150 -2.994 396 H CYS 51 H CYS 51 -5.890 10.836 -1.307 397 HA CYS 51 HA CYS 51 -7.823 11.966 -3.160 398 HB2 CYS 51 1HB CYS 51 -5.848 9.930 -4.187 399 HB3 CYS 51 2HB CYS 51 -6.936 10.963 -5.093 400 HG CYS 51 HG CYS 51 -5.809 13.223 -4.527 401 H THR 52 H THR 52 -8.930 9.873 -4.312 402 HA THR 52 HA THR 52 -9.180 7.780 -2.256 403 HB THR 52 HB THR 52 -11.563 8.647 -3.891 404 HG1 THR 52 1HG THR 52 -11.463 10.633 -2.918 405 HG21 THR 52 3HG2 THR 52 -12.353 8.528 -1.282 406 HG22 THR 52 1HG2 THR 52 -12.312 7.090 -2.330 407 HG23 THR 52 2HG2 THR 52 -10.964 7.417 -1.214 408 H ILE 53 H ILE 53 -9.460 5.668 -2.967 409 HA ILE 53 HA ILE 53 -9.333 5.332 -5.878 410 HB ILE 53 HB ILE 53 -7.626 3.726 -5.720 411 HG12 ILE 53 1HG1 ILE 53 -6.962 3.802 -2.897 412 HG13 ILE 53 2HG1 ILE 53 -8.611 3.254 -3.127 413 HG21 ILE 53 1HG2 ILE 53 -6.811 5.974 -3.861 414 HG22 ILE 53 2HG2 ILE 53 -5.753 4.992 -4.903 415 HG23 ILE 53 3HG2 ILE 53 -6.929 6.112 -5.632 416 HD11 ILE 53 3HD1 ILE 53 -6.983 2.002 -5.152 417 HD12 ILE 53 1HD1 ILE 53 -6.183 1.791 -3.575 418 HD13 ILE 53 2HD1 ILE 53 -7.858 1.233 -3.806 419 H GLU 54 H GLU 54 -9.772 2.864 -6.394 420 HA GLU 54 HA GLU 54 -11.870 1.994 -4.565 421 HB2 GLU 54 1HB GLU 54 -12.212 2.916 -7.218 422 HB3 GLU 54 2HB GLU 54 -12.344 1.172 -7.332 423 HG2 GLU 54 1HG GLU 54 -14.209 1.074 -5.890 424 HG3 GLU 54 2HG GLU 54 -13.814 2.589 -5.101 425 HE2 GLU 54 HE GLU 54 -14.784 4.668 -6.635 426 H VAL 55 H VAL 55 -12.054 -0.277 -4.232 427 HA VAL 55 HA VAL 55 -9.640 -1.712 -4.738 428 HB VAL 55 HB VAL 55 -12.054 -3.112 -3.753 429 HG11 VAL 55 1HG1 VAL 55 -9.947 -4.246 -3.633 430 HG12 VAL 55 2HG1 VAL 55 -9.171 -2.850 -2.846 431 HG13 VAL 55 3HG1 VAL 55 -10.403 -3.794 -1.973 432 HG21 VAL 55 3HG2 VAL 55 -11.000 -0.598 -2.492 433 HG22 VAL 55 1HG2 VAL 55 -12.673 -1.189 -2.633 434 HG23 VAL 55 2HG2 VAL 55 -11.565 -1.929 -1.453 435 H THR 56 H THR 56 -9.616 -3.903 -5.778 436 HA THR 56 HA THR 56 -11.648 -4.147 -7.883 437 HB THR 56 HB THR 56 -9.672 -2.971 -8.835 438 HG1 THR 56 1HG THR 56 -10.288 -4.386 -10.429 439 HG21 THR 56 3HG2 THR 56 -7.475 -3.785 -8.697 440 HG22 THR 56 1HG2 THR 56 -8.073 -4.265 -7.091 441 HG23 THR 56 2HG2 THR 56 -8.009 -5.459 -8.409 442 H ALA 57 H ALA 57 -8.955 -5.666 -6.027 443 HA ALA 57 HA ALA 57 -10.554 -8.083 -5.919 444 HB1 ALA 57 3HB ALA 57 -8.255 -7.738 -7.676 445 HB2 ALA 57 1HB ALA 57 -7.956 -9.016 -6.473 446 HB3 ALA 57 2HB ALA 57 -9.379 -9.112 -7.539 447 H THR 58 H THR 58 -9.395 -9.714 -4.382 448 HA THR 58 HA THR 58 -7.616 -8.403 -2.494 449 HB THR 58 HB THR 58 -10.480 -9.281 -1.899 450 HG1 THR 58 1HG THR 58 -8.702 -6.977 -1.646 451 HG21 THR 58 3HG2 THR 58 -8.067 -9.303 -0.141 452 HG22 THR 58 1HG2 THR 58 -9.432 -8.347 0.485 453 HG23 THR 58 2HG2 THR 58 -9.653 -10.073 0.108 454 H SER 59 H SER 59 -6.361 -9.828 -1.274 455 HA SER 59 HA SER 59 -6.946 -12.609 -1.425 456 HB2 SER 59 1HB SER 59 -4.265 -12.556 -2.343 457 HB3 SER 59 2HB SER 59 -5.674 -13.126 -3.215 458 HG SER 59 HG SER 59 -5.399 -10.328 -3.204 459 H THR 60 H THR 60 -5.103 -13.885 -0.235 460 HA THR 60 HA THR 60 -4.104 -12.152 1.923 461 HB THR 60 HB THR 60 -4.034 -14.615 3.004 462 HG1 THR 60 1HG THR 60 -5.580 -15.936 1.901 463 HG21 THR 60 3HG2 THR 60 -6.781 -14.279 3.088 464 HG22 THR 60 1HG2 THR 60 -5.643 -13.430 4.163 465 HG23 THR 60 2HG2 THR 60 -6.241 -12.630 2.689 466 H VAL 61 H VAL 61 -2.015 -11.648 1.843 467 HA VAL 61 HA VAL 61 -0.106 -13.728 1.367 468 HB VAL 61 HB VAL 61 0.451 -11.496 -0.434 469 HG11 VAL 61 1HG1 VAL 61 1.378 -14.026 -0.094 470 HG12 VAL 61 2HG1 VAL 61 0.245 -14.275 -1.444 471 HG13 VAL 61 3HG1 VAL 61 1.563 -13.089 -1.596 472 HG21 VAL 61 3HG2 VAL 61 -1.149 -12.010 -2.156 473 HG22 VAL 61 1HG2 VAL 61 -1.841 -13.335 -1.191 474 HG23 VAL 61 2HG2 VAL 61 -2.044 -11.648 -0.660 475 H THR 62 H THR 62 2.222 -12.573 1.377 476 HA THR 62 HA THR 62 2.201 -10.989 3.783 477 HB THR 62 HB THR 62 4.580 -11.789 2.046 478 HG1 THR 62 1HG THR 62 2.656 -13.380 2.905 479 HG21 THR 62 3HG2 THR 62 5.777 -11.141 3.879 480 HG22 THR 62 1HG2 THR 62 4.271 -10.593 4.654 481 HG23 THR 62 2HG2 THR 62 4.834 -12.265 4.888 482 H LEU 63 H LEU 63 4.676 -9.515 3.070 483 HA LEU 63 HA LEU 63 3.312 -7.338 1.679 484 HB2 LEU 63 1HB LEU 63 5.220 -5.992 2.650 485 HB3 LEU 63 2HB LEU 63 4.013 -6.608 3.761 486 HG LEU 63 HG LEU 63 6.044 -8.574 3.655 487 HD11 LEU 63 1HD1 LEU 63 8.065 -7.381 4.233 488 HD12 LEU 63 2HD1 LEU 63 7.494 -6.849 2.633 489 HD13 LEU 63 3HD1 LEU 63 7.233 -5.817 4.059 490 HD21 LEU 63 3HD2 LEU 63 6.431 -7.271 6.033 491 HD22 LEU 63 1HD2 LEU 63 4.773 -6.784 5.607 492 HD23 LEU 63 2HD2 LEU 63 5.191 -8.510 5.723 493 H ASP 64 H ASP 64 6.744 -8.507 1.937 494 HA ASP 64 HA ASP 64 7.514 -7.443 -0.455 495 HB2 ASP 64 1HB ASP 64 8.781 -8.744 1.545 496 HB3 ASP 64 2HB ASP 64 8.676 -10.084 0.421 497 HD2 ASP 64 HD ASP 64 11.620 -8.251 0.606 498 H THR 65 H THR 65 5.281 -9.956 0.155 499 HA THR 65 HA THR 65 5.905 -11.658 -2.061 500 HB THR 65 HB THR 65 3.448 -12.421 -1.393 501 HG1 THR 65 1HG THR 65 3.314 -10.231 -0.227 502 HG21 THR 65 3HG2 THR 65 5.316 -13.778 -0.612 503 HG22 THR 65 1HG2 THR 65 5.843 -12.501 0.510 504 HG23 THR 65 2HG2 THR 65 4.332 -13.389 0.819 505 H LEU 66 H LEU 66 4.862 -8.495 -1.962 506 HA LEU 66 HA LEU 66 4.179 -8.499 -4.672 507 HB2 LEU 66 1HB LEU 66 1.765 -7.681 -4.264 508 HB3 LEU 66 2HB LEU 66 2.109 -9.397 -4.359 509 HG LEU 66 HG LEU 66 2.338 -9.037 -1.682 510 HD11 LEU 66 1HD1 LEU 66 0.740 -7.520 -0.818 511 HD12 LEU 66 2HD1 LEU 66 1.711 -6.605 -1.997 512 HD13 LEU 66 3HD1 LEU 66 0.081 -7.172 -2.435 513 HD21 LEU 66 3HD2 LEU 66 0.140 -9.883 -3.495 514 HD22 LEU 66 1HD2 LEU 66 1.000 -10.784 -2.223 515 HD23 LEU 66 2HD2 LEU 66 -0.274 -9.621 -1.784 516 H THR 67 H THR 67 3.858 -6.964 -1.436 517 HA THR 67 HA THR 67 3.503 -4.360 -2.092 518 HB THR 67 HB THR 67 3.966 -5.706 0.188 519 HG1 THR 67 1HG THR 67 3.239 -3.442 -0.155 520 HG21 THR 67 3HG2 THR 67 6.621 -5.360 -0.772 521 HG22 THR 67 1HG2 THR 67 6.390 -4.078 0.441 522 HG23 THR 67 2HG2 THR 67 6.141 -5.782 0.890 523 H GLU 68 H GLU 68 4.881 -2.517 -2.438 524 HA GLU 68 HA GLU 68 6.525 -2.794 -4.555 525 HB2 GLU 68 1HB GLU 68 6.051 -0.704 -2.490 526 HB3 GLU 68 2HB GLU 68 7.576 -0.553 -3.339 527 HG2 GLU 68 1HG GLU 68 5.314 -1.174 -5.146 528 HG3 GLU 68 2HG GLU 68 5.094 0.330 -4.274 529 HE2 GLU 68 HE GLU 68 5.752 1.851 -5.698 530 H LYS 69 H LYS 69 7.194 -3.534 -1.197 531 HA LYS 69 HA LYS 69 9.891 -3.161 -1.001 532 HB2 LYS 69 1HB LYS 69 8.281 -3.939 0.774 533 HB3 LYS 69 2HB LYS 69 8.361 -5.544 0.077 534 HG2 LYS 69 1HG LYS 69 10.993 -5.197 0.294 535 HG3 LYS 69 2HG LYS 69 10.546 -3.971 1.463 536 HD2 LYS 69 1HD LYS 69 9.100 -5.743 2.625 537 HD3 LYS 69 2HD LYS 69 9.809 -6.931 1.550 538 HE2 LYS 69 1HE LYS 69 11.705 -5.123 3.036 539 HE3 LYS 69 2HE LYS 69 10.876 -6.353 3.970 540 HZ1 LYS 69 2HZ LYS 69 12.574 -7.637 3.211 541 HZ3 LYS 69 1HZ LYS 69 12.902 -6.696 1.922 542 H HIS 70 H HIS 70 8.082 -5.540 -2.916 543 HA HIS 70 HA HIS 70 10.266 -7.259 -3.361 544 HB2 HIS 70 1HB HIS 70 7.979 -8.005 -3.629 545 HB3 HIS 70 2HB HIS 70 7.683 -6.812 -4.878 546 HD1 HIS 70 1HD HIS 70 9.356 -7.136 -7.105 547 HD2 HIS 70 2HD HIS 70 8.713 -10.447 -4.612 548 HE1 HIS 70 1HE HIS 70 9.982 -9.195 -8.476 549 H ALA 71 H ALA 71 8.739 -4.648 -5.376 550 HA ALA 71 HA ALA 71 10.555 -4.794 -7.467 551 HB1 ALA 71 3HB ALA 71 9.011 -2.401 -6.385 552 HB2 ALA 71 1HB ALA 71 9.720 -2.537 -8.012 553 HB3 ALA 71 2HB ALA 71 8.386 -3.612 -7.530 554 H GLU 72 H GLU 72 10.684 -3.113 -4.300 555 HA GLU 72 HA GLU 72 12.970 -1.623 -4.957 556 HB2 GLU 72 1HB GLU 72 11.127 -1.569 -2.922 557 HB3 GLU 72 2HB GLU 72 12.487 -2.299 -2.092 558 HG2 GLU 72 1HG GLU 72 13.804 -0.396 -2.263 559 HG3 GLU 72 2HG GLU 72 13.130 0.070 -3.812 560 HE2 GLU 72 HE GLU 72 13.000 2.206 -2.479 561 H GLN 73 H GLN 73 12.393 -4.761 -3.263 562 HA GLN 73 HA GLN 73 14.904 -5.223 -2.357 563 HB2 GLN 73 1HB GLN 73 12.504 -6.697 -2.694 564 HB3 GLN 73 2HB GLN 73 13.748 -7.669 -3.455 565 HG2 GLN 73 1HG GLN 73 14.565 -6.491 -0.848 566 HG3 GLN 73 2HG GLN 73 13.220 -7.608 -0.732 567 HE21 GLN 73 2HE2 GLN 73 16.347 -9.537 -0.323 568 HE22 GLN 73 1HE2 GLN 73 15.524 -8.241 0.478 569 H GLU 74 H GLU 74 13.608 -5.530 -5.676 570 HA GLU 74 HA GLU 74 16.174 -6.575 -6.530 571 HB2 GLU 74 1HB GLU 74 13.467 -7.014 -7.352 572 HB3 GLU 74 2HB GLU 74 14.282 -6.246 -8.700 573 HG2 GLU 74 1HG GLU 74 16.173 -8.113 -7.802 574 HG3 GLU 74 2HG GLU 74 14.652 -8.956 -7.584 575 HE2 GLU 74 HE GLU 74 15.624 -9.780 -10.813 576 H ASN 75 H ASN 75 15.797 -3.774 -5.581 577 HA ASN 75 HA ASN 75 16.844 -2.530 -7.960 578 HB2 ASN 75 1HB ASN 75 14.258 -1.830 -6.657 579 HB3 ASN 75 2HB ASN 75 15.322 -0.454 -6.869 580 HD21 ASN 75 2HD2 ASN 75 14.825 -0.099 -10.272 581 HD22 ASN 75 1HD2 ASN 75 15.475 0.488 -8.778 582 H MET 76 H MET 76 15.678 -1.774 -4.579 583 HA MET 76 HA MET 76 18.091 -0.265 -4.138 584 HB2 MET 76 1HB MET 76 15.742 -0.817 -2.245 585 HB3 MET 76 2HB MET 76 16.936 0.453 -2.066 586 HG2 MET 76 1HG MET 76 15.019 0.241 -4.439 587 HG3 MET 76 2HG MET 76 14.724 1.242 -3.031 588 HE1 MET 76 3HE MET 76 16.353 2.488 -6.699 589 HE2 MET 76 1HE MET 76 14.988 1.523 -6.087 590 HE3 MET 76 2HE MET 76 15.036 3.279 -5.799 591 H THR 77 H THR 77 18.879 -0.543 -1.619 592 HA THR 77 HA THR 77 19.732 -3.325 -1.493 593 HB THR 77 HB THR 77 21.399 -1.462 -1.399 594 HG1 THR 77 1HG THR 77 22.412 -2.666 0.190 595 HG21 THR 77 3HG2 THR 77 19.871 -0.758 1.161 596 HG22 THR 77 1HG2 THR 77 21.501 -0.156 0.775 597 HG23 THR 77 2HG2 THR 77 20.118 0.302 -0.247 598 H LEU 78 H LEU 78 20.212 -3.722 1.176 599 HA LEU 78 HA LEU 78 17.599 -4.393 2.053 600 HB2 LEU 78 1HB LEU 78 20.346 -5.005 2.725 601 HB3 LEU 78 2HB LEU 78 19.399 -4.723 4.172 602 HG LEU 78 HG LEU 78 17.751 -6.419 3.399 603 HD11 LEU 78 1HD1 LEU 78 18.348 -6.131 0.948 604 HD12 LEU 78 2HD1 LEU 78 19.753 -7.176 1.267 605 HD13 LEU 78 3HD1 LEU 78 18.105 -7.799 1.518 606 HD21 LEU 78 3HD2 LEU 78 18.994 -8.289 4.102 607 HD22 LEU 78 1HD2 LEU 78 20.519 -7.622 3.472 608 HD23 LEU 78 2HD2 LEU 78 19.752 -6.892 4.903 609 H THR 79 H THR 79 19.985 -1.829 2.809 610 HA THR 79 HA THR 79 18.795 -0.855 5.126 611 HB THR 79 HB THR 79 20.579 0.229 2.926 612 HG1 THR 79 1HG THR 79 21.855 -0.629 4.519 613 HG21 THR 79 3HG2 THR 79 20.750 2.370 3.964 614 HG22 THR 79 1HG2 THR 79 18.993 2.093 3.910 615 HG23 THR 79 2HG2 THR 79 19.890 1.826 5.424 616 H GLU 80 H GLU 80 18.280 0.219 1.698 617 HA GLU 80 HA GLU 80 16.343 2.066 2.351 618 HB2 GLU 80 1HB GLU 80 17.471 0.876 -0.045 619 HB3 GLU 80 2HB GLU 80 15.734 1.012 -0.233 620 HG2 GLU 80 1HG GLU 80 16.143 3.459 0.787 621 HG3 GLU 80 2HG GLU 80 17.773 3.198 0.197 622 HE2 GLU 80 HE GLU 80 14.794 3.353 -2.514 623 H LEU 81 H LEU 81 16.097 -1.434 1.495 624 HA LEU 81 HA LEU 81 13.336 -1.580 1.349 625 HB2 LEU 81 1HB LEU 81 15.536 -3.520 1.942 626 HB3 LEU 81 2HB LEU 81 13.870 -4.023 2.142 627 HG LEU 81 HG LEU 81 15.268 -4.293 -0.147 628 HD11 LEU 81 1HD1 LEU 81 12.988 -5.185 0.528 629 HD12 LEU 81 2HD1 LEU 81 12.304 -3.714 -0.206 630 HD13 LEU 81 3HD1 LEU 81 13.236 -4.857 -1.204 631 HD21 LEU 81 3HD2 LEU 81 14.690 -2.636 -1.775 632 HD22 LEU 81 1HD2 LEU 81 13.683 -1.753 -0.602 633 HD23 LEU 81 2HD2 LEU 81 15.450 -1.811 -0.392 634 H LYS 82 H LYS 82 15.557 -1.480 4.141 635 HA LYS 82 HA LYS 82 13.547 -2.227 6.015 636 HB2 LYS 82 1HB LYS 82 16.269 -2.174 6.043 637 HB3 LYS 82 2HB LYS 82 15.919 -0.709 6.938 638 HG2 LYS 82 1HG LYS 82 15.732 -2.136 8.724 639 HG3 LYS 82 2HG LYS 82 14.110 -2.392 8.111 640 HD2 LYS 82 1HD LYS 82 14.971 -4.334 6.742 641 HD3 LYS 82 2HD LYS 82 16.556 -4.101 7.453 642 HE2 LYS 82 1HE LYS 82 15.615 -4.504 9.726 643 HE3 LYS 82 2HE LYS 82 14.011 -4.685 9.044 644 HZ1 LYS 82 2HZ LYS 82 15.116 -6.841 9.383 645 HZ3 LYS 82 1HZ LYS 82 16.317 -6.431 8.363 646 H LYS 83 H LYS 83 14.826 0.825 4.643 647 HA LYS 83 HA LYS 83 13.573 2.531 6.477 648 HB2 LYS 83 1HB LYS 83 15.299 2.766 4.294 649 HB3 LYS 83 2HB LYS 83 13.862 3.633 3.793 650 HG2 LYS 83 1HG LYS 83 14.805 4.115 6.604 651 HG3 LYS 83 2HG LYS 83 15.811 4.758 5.322 652 HD2 LYS 83 1HD LYS 83 13.933 6.027 4.390 653 HD3 LYS 83 2HD LYS 83 12.803 5.253 5.484 654 HE2 LYS 83 1HE LYS 83 14.462 6.242 7.356 655 HE3 LYS 83 2HE LYS 83 14.874 7.368 6.078 656 HZ1 LYS 83 2HZ LYS 83 12.076 6.854 6.930 657 HZ3 LYS 83 1HZ LYS 83 12.578 8.028 5.919 658 H VAL 84 H VAL 84 12.573 1.431 3.162 659 HA VAL 84 HA VAL 84 10.124 2.729 3.166 660 HB VAL 84 HB VAL 84 9.544 1.185 1.382 661 HG11 VAL 84 1HG1 VAL 84 11.543 3.019 1.330 662 HG12 VAL 84 2HG1 VAL 84 12.427 1.568 0.799 663 HG13 VAL 84 3HG1 VAL 84 10.989 2.112 -0.098 664 HG21 VAL 84 3HG2 VAL 84 12.004 -0.367 2.253 665 HG22 VAL 84 1HG2 VAL 84 10.312 -0.914 2.320 666 HG23 VAL 84 2HG2 VAL 84 11.100 -0.649 0.746 667 H ILE 85 H ILE 85 11.006 -0.633 4.199 668 HA ILE 85 HA ILE 85 8.501 -1.523 4.837 669 HB ILE 85 HB ILE 85 11.237 -2.086 5.927 670 HG12 ILE 85 1HG1 ILE 85 10.420 -2.812 3.613 671 HG13 ILE 85 2HG1 ILE 85 11.142 -4.033 4.642 672 HG21 ILE 85 1HG2 ILE 85 10.208 -2.682 7.859 673 HG22 ILE 85 2HG2 ILE 85 8.625 -2.922 7.081 674 HG23 ILE 85 3HG2 ILE 85 9.890 -4.165 6.929 675 HD11 ILE 85 3HD1 ILE 85 8.310 -3.909 5.227 676 HD12 ILE 85 1HD1 ILE 85 8.536 -4.053 3.467 677 HD13 ILE 85 2HD1 ILE 85 9.248 -5.266 4.558 678 H ALA 86 H ALA 86 10.722 0.570 6.746 679 HA ALA 86 HA ALA 86 9.044 0.595 9.032 680 HB1 ALA 86 3HB ALA 86 11.625 1.559 8.218 681 HB2 ALA 86 1HB ALA 86 10.706 2.919 8.905 682 HB3 ALA 86 2HB ALA 86 10.952 1.438 9.861 683 H ASP 87 H ASP 87 9.079 2.244 5.929 684 HA ASP 87 HA ASP 87 7.563 4.455 6.863 685 HB2 ASP 87 1HB ASP 87 8.850 3.573 4.384 686 HB3 ASP 87 2HB ASP 87 7.243 4.187 4.049 687 HD2 ASP 87 HD ASP 87 7.162 6.403 3.854 688 H ILE 88 H ILE 88 7.032 1.212 5.500 689 HA ILE 88 HA ILE 88 4.242 1.754 4.940 690 HB ILE 88 HB ILE 88 5.293 -0.999 4.794 691 HG12 ILE 88 1HG1 ILE 88 6.624 1.283 3.405 692 HG13 ILE 88 2HG1 ILE 88 7.299 -0.219 4.002 693 HG21 ILE 88 1HG2 ILE 88 3.758 -1.221 3.159 694 HG22 ILE 88 2HG2 ILE 88 3.069 0.246 3.894 695 HG23 ILE 88 3HG2 ILE 88 4.110 0.376 2.456 696 HD11 ILE 88 3HD1 ILE 88 5.614 -1.208 2.088 697 HD12 ILE 88 1HD1 ILE 88 6.014 0.374 1.376 698 HD13 ILE 88 2HD1 ILE 88 7.312 -0.777 1.774 699 H TYR 89 H TYR 89 6.090 -0.675 6.924 700 HA TYR 89 HA TYR 89 4.893 -0.183 9.319 701 HB2 TYR 89 1HB TYR 89 3.199 -2.232 9.140 702 HB3 TYR 89 2HB TYR 89 2.696 -0.690 8.477 703 HD1 TYR 89 1HD TYR 89 4.388 -3.876 7.460 704 HD2 TYR 89 2HD TYR 89 1.936 -0.577 6.270 705 HE1 TYR 89 1HE TYR 89 4.007 -4.966 5.195 706 HE2 TYR 89 2HE TYR 89 1.564 -1.679 4.009 707 HH TYR 89 HH TYR 89 2.461 -3.248 2.605 708 HA PRO 90 HA PRO 90 7.671 -3.393 10.178 709 HB2 PRO 90 2HB PRO 90 8.232 -2.455 12.204 710 HB3 PRO 90 1HB PRO 90 7.218 -3.729 12.852 711 HG2 PRO 90 1HG PRO 90 5.493 -2.267 13.303 712 HG3 PRO 90 2HG PRO 90 6.666 -0.989 13.053 713 HD2 PRO 90 1HD PRO 90 4.373 -1.556 11.426 714 HD3 PRO 90 2HD PRO 90 5.608 -0.354 11.113 715 H GLY 91 H GLY 91 7.958 -5.650 10.887 716 HA2 GLY 91 1HA GLY 91 6.994 -7.696 11.450 717 HA3 GLY 91 2HA GLY 91 5.398 -7.063 11.097 718 H GLN 92 H GLN 92 7.615 -9.252 10.025 719 HA GLN 92 HA GLN 92 6.867 -8.801 7.240 720 HB2 GLN 92 1HB GLN 92 9.422 -8.943 8.225 721 HB3 GLN 92 2HB GLN 92 9.148 -10.630 7.840 722 HG2 GLN 92 1HG GLN 92 8.536 -10.048 5.519 723 HG3 GLN 92 2HG GLN 92 8.653 -8.338 5.883 724 HE21 GLN 92 2HE2 GLN 92 11.832 -10.294 4.545 725 HE22 GLN 92 1HE2 GLN 92 10.167 -10.748 4.391 726 H THR 93 H THR 93 4.868 -9.934 8.576 727 HA THR 93 HA THR 93 5.163 -12.813 8.025 728 HB THR 93 HB THR 93 3.889 -13.275 10.014 729 HG1 THR 93 1HG THR 93 3.008 -11.238 11.123 730 HG21 THR 93 3HG2 THR 93 6.273 -11.844 10.279 731 HG22 THR 93 1HG2 THR 93 5.133 -10.874 11.241 732 HG23 THR 93 2HG2 THR 93 5.383 -12.594 11.626 733 H GLN 94 H GLN 94 3.298 -13.908 7.204 734 HA GLN 94 HA GLN 94 2.091 -12.670 5.161 735 HB2 GLN 94 1HB GLN 94 1.216 -15.006 6.884 736 HB3 GLN 94 2HB GLN 94 0.227 -14.484 5.535 737 HG2 GLN 94 1HG GLN 94 1.706 -15.278 3.965 738 HG3 GLN 94 2HG GLN 94 3.110 -14.743 4.866 739 HE21 GLN 94 2HE2 GLN 94 2.584 -18.558 4.687 740 HE22 GLN 94 1HE2 GLN 94 2.322 -17.308 3.518 741 H PHE 95 H PHE 95 -0.044 -11.761 4.752 742 HA PHE 95 HA PHE 95 -1.760 -11.202 6.960 743 HB2 PHE 95 1HB PHE 95 0.313 -9.292 5.932 744 HB3 PHE 95 2HB PHE 95 -1.296 -8.601 5.998 745 HD1 PHE 95 2HD PHE 95 -2.549 -9.338 8.345 746 HD2 PHE 95 1HD PHE 95 1.622 -8.824 7.757 747 HE1 PHE 95 2HE PHE 95 -2.258 -8.894 10.798 748 HE2 PHE 95 1HE PHE 95 1.913 -8.380 10.210 749 HZ PHE 95 HZ PHE 95 -0.030 -8.421 11.702 750 H TYR 96 H TYR 96 -3.395 -9.280 6.046 751 HA TYR 96 HA TYR 96 -4.525 -10.496 3.714 752 HB2 TYR 96 1HB TYR 96 -5.169 -8.694 5.948 753 HB3 TYR 96 2HB TYR 96 -5.701 -7.948 4.454 754 HD1 TYR 96 1HD TYR 96 -5.739 -11.454 5.822 755 HD2 TYR 96 2HD TYR 96 -7.959 -8.249 4.058 756 HE1 TYR 96 1HE TYR 96 -7.840 -12.885 5.848 757 HE2 TYR 96 2HE TYR 96 -10.052 -9.691 4.091 758 HH TYR 96 HH TYR 96 -10.832 -11.722 4.372 759 H VAL 97 H VAL 97 -4.701 -9.665 1.627 760 HA VAL 97 HA VAL 97 -3.284 -7.136 1.162 761 HB VAL 97 HB VAL 97 -3.097 -9.736 -0.364 762 HG11 VAL 97 1HG1 VAL 97 -3.228 -7.323 -1.601 763 HG12 VAL 97 2HG1 VAL 97 -1.484 -7.414 -1.258 764 HG13 VAL 97 3HG1 VAL 97 -2.274 -8.700 -2.202 765 HG21 VAL 97 3HG2 VAL 97 -1.439 -8.397 1.625 766 HG22 VAL 97 1HG2 VAL 97 -1.332 -10.050 0.973 767 HG23 VAL 97 2HG2 VAL 97 -0.548 -8.703 0.115 768 H ILE 98 H ILE 98 -4.374 -5.668 -0.092 769 HA ILE 98 HA ILE 98 -6.780 -6.675 -1.441 770 HB ILE 98 HB ILE 98 -6.616 -3.970 -0.144 771 HG12 ILE 98 1HG1 ILE 98 -6.205 -5.417 1.693 772 HG13 ILE 98 2HG1 ILE 98 -7.898 -4.972 1.765 773 HG21 ILE 98 1HG2 ILE 98 -8.393 -4.953 -1.929 774 HG22 ILE 98 2HG2 ILE 98 -9.160 -5.459 -0.405 775 HG23 ILE 98 3HG2 ILE 98 -8.791 -3.741 -0.688 776 HD11 ILE 98 3HD1 ILE 98 -6.739 -7.612 1.555 777 HD12 ILE 98 1HD1 ILE 98 -8.450 -7.165 1.756 778 HD13 ILE 98 2HD1 ILE 98 -7.754 -7.311 0.124 779 H GLU 99 H GLU 99 -6.886 -6.207 -3.581 780 HA GLU 99 HA GLU 99 -4.803 -4.460 -4.576 781 HB2 GLU 99 1HB GLU 99 -5.464 -6.919 -5.419 782 HB3 GLU 99 2HB GLU 99 -6.623 -6.033 -6.390 783 HG2 GLU 99 1HG GLU 99 -4.914 -4.801 -7.527 784 HG3 GLU 99 2HG GLU 99 -3.705 -5.186 -6.318 785 HE2 GLU 99 HE GLU 99 -3.920 -7.497 -9.410 786 H PHE 100 H PHE 100 -5.287 -2.768 -6.164 787 HA PHE 100 HA PHE 100 -8.082 -2.061 -6.446 788 HB2 PHE 100 1HB PHE 100 -7.688 0.172 -5.474 789 HB3 PHE 100 2HB PHE 100 -7.139 -1.010 -4.302 790 HD1 PHE 100 1HD PHE 100 -5.832 1.044 -7.130 791 HD2 PHE 100 2HD PHE 100 -5.034 -0.764 -3.375 792 HE1 PHE 100 1HE PHE 100 -3.575 2.142 -7.081 793 HE2 PHE 100 2HE PHE 100 -2.777 0.333 -3.326 794 HZ PHE 100 HZ PHE 100 -2.074 1.773 -5.180 795 H LYS 101 H LYS 101 -8.229 0.041 -7.869 796 HA LYS 101 HA LYS 101 -5.938 0.435 -9.570 797 HB2 LYS 101 1HB LYS 101 -6.624 -0.611 -11.451 798 HB3 LYS 101 2HB LYS 101 -7.460 -1.650 -10.314 799 HG2 LYS 101 1HG LYS 101 -9.522 -0.258 -10.546 800 HG3 LYS 101 2HG LYS 101 -8.688 0.802 -11.665 801 HD2 LYS 101 1HD LYS 101 -8.365 -1.073 -13.254 802 HD3 LYS 101 2HD LYS 101 -9.098 -2.191 -12.121 803 HE2 LYS 101 1HE LYS 101 -11.101 -1.718 -13.083 804 HE3 LYS 101 2HE LYS 101 -11.007 -0.132 -12.345 805 HZ1 LYS 101 2HZ LYS 101 -11.238 -0.264 -14.889 806 HZ3 LYS 101 1HZ LYS 101 -9.655 -0.642 -14.922 807 H CYS 102 H CYS 102 -6.117 2.376 -10.831 808 HA CYS 102 HA CYS 102 -8.090 4.167 -9.696 809 HB2 CYS 102 1HB CYS 102 -5.925 5.087 -9.600 810 HB3 CYS 102 2HB CYS 102 -5.521 4.573 -11.226 811 HG CYS 102 HG CYS 102 -6.949 6.178 -12.534 812 H LEU 103 H LEU 103 -9.883 4.848 -10.851 813 HA LEU 103 HA LEU 103 -9.873 4.270 -13.730 814 HB2 LEU 103 1HB LEU 103 -12.389 3.929 -13.371 815 HB3 LEU 103 2HB LEU 103 -11.280 2.635 -12.962 816 HG LEU 103 HG LEU 103 -11.394 3.587 -10.546 817 HD11 LEU 103 1HD1 LEU 103 -14.006 4.703 -11.595 818 HD12 LEU 103 2HD1 LEU 103 -13.367 4.792 -9.936 819 HD13 LEU 103 3HD1 LEU 103 -12.563 5.685 -11.249 820 HD21 LEU 103 3HD2 LEU 103 -13.732 2.376 -10.312 821 HD22 LEU 103 1HD2 LEU 103 -13.409 1.929 -12.005 822 HD23 LEU 103 2HD2 LEU 103 -12.254 1.476 -10.729 Start of MODEL 12 1 H1 MET 1 1H MET 1 -14.956 11.677 11.421 2 HA MET 1 HA MET 1 -17.328 13.060 10.682 3 HB2 MET 1 1HB MET 1 -14.609 14.398 10.730 4 HB3 MET 1 2HB MET 1 -15.666 14.771 9.382 5 HG2 MET 1 1HG MET 1 -17.472 15.446 10.981 6 HG3 MET 1 2HG MET 1 -16.422 15.066 12.332 7 HE1 MET 1 3HE MET 1 -17.497 17.252 12.735 8 HE2 MET 1 1HE MET 1 -16.063 18.172 13.247 9 HE3 MET 1 2HE MET 1 -17.106 18.799 11.948 10 H GLN 2 H GLN 2 -13.962 12.187 9.627 11 HA GLN 2 HA GLN 2 -14.926 10.358 7.757 12 HB2 GLN 2 1HB GLN 2 -14.800 13.101 6.833 13 HB3 GLN 2 2HB GLN 2 -13.593 12.161 5.977 14 HG2 GLN 2 1HG GLN 2 -15.293 11.474 4.628 15 HG3 GLN 2 2HG GLN 2 -15.782 10.440 5.955 16 HE21 GLN 2 2HE2 GLN 2 -18.919 11.952 5.691 17 HE22 GLN 2 1HE2 GLN 2 -17.935 10.551 5.427 18 HA PRO 3 HA PRO 3 -10.629 9.898 9.013 19 HB2 PRO 3 2HB PRO 3 -11.012 8.611 10.884 20 HB3 PRO 3 1HB PRO 3 -10.786 7.277 9.770 21 HG2 PRO 3 1HG PRO 3 -13.044 6.820 9.700 22 HG3 PRO 3 2HG PRO 3 -13.180 7.857 11.107 23 HD2 PRO 3 1HD PRO 3 -14.258 8.357 8.496 24 HD3 PRO 3 2HD PRO 3 -14.293 9.443 9.871 25 H ASN 4 H ASN 4 -8.879 8.241 8.358 26 HA ASN 4 HA ASN 4 -9.354 7.909 5.543 27 HB2 ASN 4 1HB ASN 4 -7.199 8.818 5.945 28 HB3 ASN 4 2HB ASN 4 -6.937 7.833 7.371 29 HD21 ASN 4 2HD2 ASN 4 -5.183 5.358 5.733 30 HD22 ASN 4 1HD2 ASN 4 -5.612 6.204 7.182 31 H ASP 5 H ASP 5 -8.652 5.759 4.501 32 HA ASP 5 HA ASP 5 -9.629 3.613 6.156 33 HB2 ASP 5 1HB ASP 5 -8.855 3.665 3.200 34 HB3 ASP 5 2HB ASP 5 -9.646 2.328 4.011 35 HD2 ASP 5 HD ASP 5 -11.209 2.622 2.415 36 H ILE 6 H ILE 6 -6.842 4.417 3.949 37 HA ILE 6 HA ILE 6 -4.977 3.191 5.699 38 HB ILE 6 HB ILE 6 -5.657 1.115 4.923 39 HG12 ILE 6 1HG1 ILE 6 -3.478 1.709 2.926 40 HG13 ILE 6 2HG1 ILE 6 -3.157 1.745 4.649 41 HG21 ILE 6 1HG2 ILE 6 -5.660 2.068 2.053 42 HG22 ILE 6 2HG2 ILE 6 -6.277 0.531 2.707 43 HG23 ILE 6 3HG2 ILE 6 -7.108 2.059 3.089 44 HD11 ILE 6 3HD1 ILE 6 -3.780 -0.567 4.923 45 HD12 ILE 6 1HD1 ILE 6 -4.500 -0.632 3.297 46 HD13 ILE 6 2HD1 ILE 6 -2.735 -0.498 3.484 47 H THR 7 H THR 7 -2.841 3.824 5.189 48 HA THR 7 HA THR 7 -2.714 5.750 2.965 49 HB THR 7 HB THR 7 -0.702 6.552 4.497 50 HG1 THR 7 1HG THR 7 -1.381 5.905 6.774 51 HG21 THR 7 3HG2 THR 7 -3.663 6.825 5.179 52 HG22 THR 7 1HG2 THR 7 -2.411 7.635 6.150 53 HG23 THR 7 2HG2 THR 7 -2.595 8.033 4.425 54 H PHE 8 H PHE 8 -0.354 6.042 2.143 55 HA PHE 8 HA PHE 8 1.156 3.592 2.184 56 HB2 PHE 8 1HB PHE 8 -0.066 4.788 -0.375 57 HB3 PHE 8 2HB PHE 8 0.991 3.391 -0.327 58 HD1 PHE 8 1HD PHE 8 0.063 1.538 1.477 59 HD2 PHE 8 2HD PHE 8 -2.284 4.311 -0.717 60 HE1 PHE 8 1HE PHE 8 -1.934 0.035 1.713 61 HE2 PHE 8 2HE PHE 8 -4.281 2.808 -0.481 62 HZ PHE 8 HZ PHE 8 -4.081 0.688 0.731 63 H PHE 9 H PHE 9 3.329 3.998 1.877 64 HA PHE 9 HA PHE 9 4.368 6.463 2.129 65 HB2 PHE 9 1HB PHE 9 5.421 4.059 2.076 66 HB3 PHE 9 2HB PHE 9 5.520 4.250 0.337 67 HD1 PHE 9 2HD PHE 9 6.184 6.779 2.986 68 HD2 PHE 9 1HD PHE 9 7.806 4.349 -0.091 69 HE1 PHE 9 2HE PHE 9 8.396 7.937 3.238 70 HE2 PHE 9 1HE PHE 9 10.019 5.507 0.161 71 HZ PHE 9 HZ PHE 9 10.287 7.287 1.823 72 H GLN 10 H GLN 10 5.745 7.764 0.543 73 HA GLN 10 HA GLN 10 4.130 8.751 -1.437 74 HB2 GLN 10 1HB GLN 10 6.064 9.935 -0.357 75 HB3 GLN 10 2HB GLN 10 7.171 8.925 -1.265 76 HG2 GLN 10 1HG GLN 10 5.302 9.995 -3.159 77 HG3 GLN 10 2HG GLN 10 5.784 11.326 -2.127 78 HE21 GLN 10 2HE2 GLN 10 8.478 11.771 -4.301 79 HE22 GLN 10 1HE2 GLN 10 6.953 12.340 -3.711 80 H ARG 11 H ARG 11 6.822 6.351 -1.601 81 HA ARG 11 HA ARG 11 7.106 6.160 -4.265 82 HB2 ARG 11 1HB ARG 11 7.084 3.888 -2.215 83 HB3 ARG 11 2HB ARG 11 7.745 3.738 -3.831 84 HG2 ARG 11 1HG ARG 11 9.158 5.885 -3.160 85 HG3 ARG 11 2HG ARG 11 8.764 5.412 -1.519 86 HD2 ARG 11 1HD ARG 11 10.859 4.342 -2.009 87 HD3 ARG 11 2HD ARG 11 9.657 3.069 -2.086 88 HE ARG 11 HE ARG 11 10.149 2.810 -4.350 89 HH11 ARG 11 2HH2 ARG 11 11.142 6.067 -3.369 90 HH12 ARG 11 1HH2 ARG 11 11.850 6.447 -4.903 91 HH21 ARG 11 1HH ARG 11 11.804 4.813 -6.655 92 H PHE 12 H PHE 12 4.678 4.466 -2.168 93 HA PHE 12 HA PHE 12 3.508 2.965 -4.202 94 HB2 PHE 12 1HB PHE 12 3.015 3.874 -1.405 95 HB3 PHE 12 2HB PHE 12 1.521 3.628 -2.288 96 HD1 PHE 12 2HD PHE 12 2.285 1.323 -4.012 97 HD2 PHE 12 1HD PHE 12 3.062 2.085 0.089 98 HE1 PHE 12 2HE PHE 12 2.437 -1.146 -3.582 99 HE2 PHE 12 1HE PHE 12 3.215 -0.383 0.519 100 HZ PHE 12 HZ PHE 12 2.901 -1.969 -1.322 101 H GLN 13 H GLN 13 3.090 6.352 -3.173 102 HA GLN 13 HA GLN 13 0.628 6.728 -4.436 103 HB2 GLN 13 1HB GLN 13 2.615 8.332 -3.021 104 HB3 GLN 13 2HB GLN 13 2.001 9.211 -4.407 105 HG2 GLN 13 1HG GLN 13 -0.181 7.847 -3.007 106 HG3 GLN 13 2HG GLN 13 0.720 8.862 -1.899 107 HE21 GLN 13 2HE2 GLN 13 -0.294 11.937 -3.198 108 HE22 GLN 13 1HE2 GLN 13 0.748 11.059 -2.129 109 H ASP 14 H ASP 14 4.054 7.254 -5.466 110 HA ASP 14 HA ASP 14 3.420 8.421 -7.896 111 HB2 ASP 14 1HB ASP 14 5.668 8.605 -7.071 112 HB3 ASP 14 2HB ASP 14 5.819 6.872 -6.858 113 HD2 ASP 14 HD ASP 14 7.555 6.391 -9.149 114 H ASP 15 H ASP 15 4.488 5.031 -7.055 115 HA ASP 15 HA ASP 15 4.308 3.926 -9.504 116 HB2 ASP 15 1HB ASP 15 4.624 3.027 -6.869 117 HB3 ASP 15 2HB ASP 15 3.169 2.199 -7.385 118 HD2 ASP 15 HD ASP 15 6.399 2.802 -8.404 119 H ILE 16 H ILE 16 1.722 4.471 -7.031 120 HA ILE 16 HA ILE 16 -0.312 3.103 -8.388 121 HB ILE 16 HB ILE 16 -0.223 5.195 -6.240 122 HG12 ILE 16 1HG1 ILE 16 -1.333 2.390 -6.117 123 HG13 ILE 16 2HG1 ILE 16 0.379 2.709 -5.919 124 HG21 ILE 16 1HG2 ILE 16 -2.231 5.620 -7.644 125 HG22 ILE 16 2HG2 ILE 16 -2.761 3.950 -7.328 126 HG23 ILE 16 3HG2 ILE 16 -2.612 5.106 -5.982 127 HD11 ILE 16 3HD1 ILE 16 -1.792 3.100 -4.013 128 HD12 ILE 16 1HD1 ILE 16 -0.034 3.168 -3.740 129 HD13 ILE 16 2HD1 ILE 16 -0.910 4.624 -4.272 130 H LEU 17 H LEU 17 0.729 6.566 -8.384 131 HA LEU 17 HA LEU 17 -1.298 7.482 -10.055 132 HB2 LEU 17 1HB LEU 17 -0.330 9.402 -9.598 133 HB3 LEU 17 2HB LEU 17 0.898 8.524 -8.708 134 HG LEU 17 HG LEU 17 2.018 8.303 -11.103 135 HD11 LEU 17 1HD1 LEU 17 1.444 9.786 -12.717 136 HD12 LEU 17 2HD1 LEU 17 -0.150 9.636 -11.939 137 HD13 LEU 17 3HD1 LEU 17 0.901 11.020 -11.555 138 HD21 LEU 17 3HD2 LEU 17 2.210 10.223 -8.917 139 HD22 LEU 17 1HD2 LEU 17 3.489 9.382 -9.825 140 HD23 LEU 17 2HD2 LEU 17 2.788 10.888 -10.464 141 H ALA 18 H ALA 18 1.641 5.621 -10.685 142 HA ALA 18 HA ALA 18 1.416 6.111 -13.542 143 HB1 ALA 18 3HB ALA 18 3.634 5.788 -13.444 144 HB2 ALA 18 1HB ALA 18 3.508 5.469 -11.697 145 HB3 ALA 18 2HB ALA 18 3.376 4.127 -12.859 146 H GLY 19 H GLY 19 -0.612 4.607 -11.723 147 HA2 GLY 19 1HA GLY 19 -2.062 2.921 -12.116 148 HA3 GLY 19 2HA GLY 19 -1.230 2.569 -13.618 149 H ARG 20 H ARG 20 -0.226 0.611 -13.736 150 HA ARG 20 HA ARG 20 0.465 -1.351 -13.104 151 HB2 ARG 20 1HB ARG 20 2.315 0.586 -12.246 152 HB3 ARG 20 2HB ARG 20 2.154 -0.455 -10.845 153 HG2 ARG 20 1HG ARG 20 3.228 -2.199 -11.864 154 HG3 ARG 20 2HG ARG 20 2.354 -1.983 -13.367 155 HD2 ARG 20 1HD ARG 20 4.511 0.002 -12.573 156 HD3 ARG 20 2HD ARG 20 4.956 -1.526 -13.306 157 HE ARG 20 HE ARG 20 2.861 -0.301 -14.854 158 HH11 ARG 20 2HH2 ARG 20 6.318 0.041 -14.157 159 HH12 ARG 20 1HH2 ARG 20 6.676 0.797 -15.673 160 HH21 ARG 20 1HH ARG 20 4.905 1.174 -17.244 161 H LYS 21 H LYS 21 -1.267 -2.499 -12.180 162 HA LYS 21 HA LYS 21 -2.688 -2.073 -9.997 163 HB2 LYS 21 1HB LYS 21 -1.577 -4.744 -10.904 164 HB3 LYS 21 2HB LYS 21 -2.894 -4.556 -9.764 165 HG2 LYS 21 1HG LYS 21 -4.176 -4.674 -11.675 166 HG3 LYS 21 2HG LYS 21 -3.846 -2.954 -11.736 167 HD2 LYS 21 1HD LYS 21 -2.555 -3.154 -13.607 168 HD3 LYS 21 2HD LYS 21 -1.669 -4.518 -12.954 169 HE2 LYS 21 1HE LYS 21 -4.493 -5.128 -13.690 170 HE3 LYS 21 2HE LYS 21 -3.475 -4.675 -15.043 171 HZ1 LYS 21 2HZ LYS 21 -3.334 -7.055 -14.641 172 HZ3 LYS 21 1HZ LYS 21 -2.865 -6.837 -13.097 173 H THR 22 H THR 22 -2.036 -1.235 -8.078 174 HA THR 22 HA THR 22 0.381 -2.376 -6.865 175 HB THR 22 HB THR 22 -1.148 0.140 -6.053 176 HG1 THR 22 1HG THR 22 -0.536 0.621 -8.158 177 HG21 THR 22 3HG2 THR 22 0.583 0.280 -4.564 178 HG22 THR 22 1HG2 THR 22 1.357 -1.163 -5.262 179 HG23 THR 22 2HG2 THR 22 1.677 0.444 -5.958 180 H ILE 23 H ILE 23 0.208 -3.865 -5.323 181 HA ILE 23 HA ILE 23 -2.405 -4.161 -4.059 182 HB ILE 23 HB ILE 23 -0.379 -6.148 -3.416 183 HG12 ILE 23 1HG1 ILE 23 -0.702 -7.091 -5.883 184 HG13 ILE 23 2HG1 ILE 23 -0.800 -5.386 -6.279 185 HG21 ILE 23 1HG2 ILE 23 -3.163 -5.951 -3.658 186 HG22 ILE 23 2HG2 ILE 23 -2.655 -7.073 -4.942 187 HG23 ILE 23 3HG2 ILE 23 -2.208 -7.396 -3.250 188 HD11 ILE 23 3HD1 ILE 23 1.382 -5.728 -4.426 189 HD12 ILE 23 1HD1 ILE 23 1.548 -6.939 -5.720 190 HD13 ILE 23 2HD1 ILE 23 1.448 -5.209 -6.127 191 H THR 24 H THR 24 -2.477 -4.590 -1.684 192 HA THR 24 HA THR 24 -0.219 -3.426 -0.233 193 HB THR 24 HB THR 24 -1.807 -1.925 0.985 194 HG1 THR 24 1HG THR 24 -4.014 -1.957 0.191 195 HG21 THR 24 3HG2 THR 24 -2.369 -1.568 -1.991 196 HG22 THR 24 1HG2 THR 24 -2.208 -0.309 -0.743 197 HG23 THR 24 2HG2 THR 24 -0.770 -1.194 -1.305 198 H ILE 25 H ILE 25 -0.524 -3.727 2.202 199 HA ILE 25 HA ILE 25 -1.936 -6.266 2.639 200 HB ILE 25 HB ILE 25 0.717 -5.438 3.820 201 HG12 ILE 25 1HG1 ILE 25 1.351 -7.582 2.365 202 HG13 ILE 25 2HG1 ILE 25 0.010 -7.024 1.386 203 HG21 ILE 25 1HG2 ILE 25 -0.857 -8.020 4.018 204 HG22 ILE 25 2HG2 ILE 25 0.795 -7.765 4.629 205 HG23 ILE 25 3HG2 ILE 25 -0.563 -6.847 5.323 206 HD11 ILE 25 3HD1 ILE 25 1.195 -4.651 1.635 207 HD12 ILE 25 1HD1 ILE 25 2.628 -5.648 1.985 208 HD13 ILE 25 2HD1 ILE 25 1.776 -5.828 0.432 209 H ARG 26 H ARG 26 -3.130 -6.449 4.542 210 HA ARG 26 HA ARG 26 -2.968 -4.181 6.331 211 HB2 ARG 26 1HB ARG 26 -5.738 -4.955 6.150 212 HB3 ARG 26 2HB ARG 26 -5.027 -3.402 5.756 213 HG2 ARG 26 1HG ARG 26 -4.934 -5.744 3.810 214 HG3 ARG 26 2HG ARG 26 -6.297 -4.644 3.863 215 HD2 ARG 26 1HD ARG 26 -4.031 -2.947 3.815 216 HD3 ARG 26 2HD ARG 26 -3.631 -4.236 2.698 217 HE ARG 26 HE ARG 26 -5.110 -3.216 1.221 218 HH11 ARG 26 2HH2 ARG 26 -6.352 -2.739 4.505 219 HH12 ARG 26 1HH2 ARG 26 -7.766 -1.888 3.980 220 HH21 ARG 26 1HH ARG 26 -8.113 -1.520 1.638 221 H ASP 27 H ASP 27 -4.233 -4.672 8.452 222 HA ASP 27 HA ASP 27 -3.637 -7.400 9.131 223 HB2 ASP 27 1HB ASP 27 -2.848 -5.784 10.717 224 HB3 ASP 27 2HB ASP 27 -4.358 -4.896 10.692 225 HD2 ASP 27 HD ASP 27 -4.301 -5.089 12.954 226 H GLU 28 H GLU 28 -5.259 -8.956 9.515 227 HA GLU 28 HA GLU 28 -7.771 -8.610 8.574 228 HB2 GLU 28 1HB GLU 28 -7.002 -10.832 8.912 229 HB3 GLU 28 2HB GLU 28 -6.591 -10.540 10.590 230 HG2 GLU 28 1HG GLU 28 -8.661 -11.877 10.440 231 HG3 GLU 28 2HG GLU 28 -8.999 -10.319 11.168 232 HE2 GLU 28 HE GLU 28 -8.818 -11.702 8.014 233 H SER 29 H SER 29 -6.552 -8.141 11.936 234 HA SER 29 HA SER 29 -8.972 -7.810 13.165 235 HB2 SER 29 1HB SER 29 -7.358 -7.821 14.776 236 HB3 SER 29 2HB SER 29 -6.152 -7.128 13.710 237 HG SER 29 HG SER 29 -8.159 -5.760 15.266 238 H GLU 30 H GLU 30 -7.231 -5.723 10.927 239 HA GLU 30 HA GLU 30 -9.237 -3.665 11.432 240 HB2 GLU 30 1HB GLU 30 -6.289 -3.405 10.761 241 HB3 GLU 30 2HB GLU 30 -7.404 -2.102 10.402 242 HG2 GLU 30 1HG GLU 30 -7.975 -2.958 13.081 243 HG3 GLU 30 2HG GLU 30 -6.232 -2.832 12.955 244 HE2 GLU 30 HE GLU 30 -7.506 -0.603 14.437 245 H SER 31 H SER 31 -8.937 -6.145 9.552 246 HA SER 31 HA SER 31 -9.117 -4.691 7.040 247 HB2 SER 31 1HB SER 31 -7.542 -6.767 7.466 248 HB3 SER 31 2HB SER 31 -9.007 -7.709 7.273 249 HG SER 31 HG SER 31 -8.809 -5.824 5.265 250 H HIS 32 H HIS 32 -11.228 -4.066 6.676 251 HA HIS 32 HA HIS 32 -13.197 -6.122 6.489 252 HB2 HIS 32 1HB HIS 32 -14.808 -4.874 8.014 253 HB3 HIS 32 2HB HIS 32 -13.562 -5.840 8.779 254 HD1 HIS 32 1HD HIS 32 -15.104 -2.636 9.063 255 HD2 HIS 32 2HD HIS 32 -11.161 -4.022 9.420 256 HE1 HIS 32 1HE HIS 32 -13.841 -0.864 10.394 257 H PHE 33 H PHE 33 -14.084 -5.680 4.540 258 HA PHE 33 HA PHE 33 -15.389 -3.295 4.001 259 HB2 PHE 33 1HB PHE 33 -12.695 -2.872 3.881 260 HB3 PHE 33 2HB PHE 33 -12.890 -3.583 2.291 261 HD1 PHE 33 1HD PHE 33 -15.215 -1.310 4.103 262 HD2 PHE 33 2HD PHE 33 -12.548 -1.795 0.838 263 HE1 PHE 33 1HE PHE 33 -15.924 0.919 3.193 264 HE2 PHE 33 2HE PHE 33 -13.258 0.434 -0.072 265 HZ PHE 33 HZ PHE 33 -14.937 1.764 1.116 266 H LYS 34 H LYS 34 -14.780 -3.267 1.090 267 HA LYS 34 HA LYS 34 -15.345 -5.981 0.257 268 HB2 LYS 34 1HB LYS 34 -17.342 -3.727 -0.082 269 HB3 LYS 34 2HB LYS 34 -17.392 -5.219 -0.999 270 HG2 LYS 34 1HG LYS 34 -17.406 -5.107 2.054 271 HG3 LYS 34 2HG LYS 34 -18.859 -5.205 1.079 272 HD2 LYS 34 1HD LYS 34 -17.580 -7.298 -0.017 273 HD3 LYS 34 2HD LYS 34 -16.715 -7.287 1.507 274 HE2 LYS 34 1HE LYS 34 -18.588 -8.750 1.845 275 HE3 LYS 34 2HE LYS 34 -18.995 -7.268 2.688 276 HZ1 LYS 34 2HZ LYS 34 -20.659 -8.366 0.974 277 HZ3 LYS 34 1HZ LYS 34 -19.834 -7.473 -0.109 278 H THR 35 H THR 35 -15.204 -6.205 -2.130 279 HA THR 35 HA THR 35 -13.140 -4.450 -3.121 280 HB THR 35 HB THR 35 -14.537 -6.796 -4.496 281 HG1 THR 35 1HG THR 35 -12.204 -6.659 -2.721 282 HG21 THR 35 3HG2 THR 35 -12.967 -5.806 -6.020 283 HG22 THR 35 1HG2 THR 35 -11.822 -5.424 -4.712 284 HG23 THR 35 2HG2 THR 35 -12.047 -7.111 -5.233 285 H GLY 36 H GLY 36 -13.271 -3.659 -5.451 286 HA2 GLY 36 1HA GLY 36 -14.261 -2.382 -7.017 287 HA3 GLY 36 2HA GLY 36 -15.792 -3.134 -6.613 288 H ASP 37 H ASP 37 -14.154 -1.755 -3.873 289 HA ASP 37 HA ASP 37 -16.080 0.413 -3.935 290 HB2 ASP 37 1HB ASP 37 -14.814 -1.256 -1.843 291 HB3 ASP 37 2HB ASP 37 -14.807 0.449 -1.439 292 HD2 ASP 37 HD ASP 37 -17.102 1.328 -2.190 293 H VAL 38 H VAL 38 -14.880 2.265 -2.210 294 HA VAL 38 HA VAL 38 -12.505 3.034 -3.743 295 HB VAL 38 HB VAL 38 -14.826 4.421 -2.625 296 HG11 VAL 38 1HG1 VAL 38 -13.468 6.542 -2.209 297 HG12 VAL 38 2HG1 VAL 38 -13.389 5.285 -0.952 298 HG13 VAL 38 3HG1 VAL 38 -12.041 5.484 -2.097 299 HG21 VAL 38 3HG2 VAL 38 -14.050 6.121 -4.370 300 HG22 VAL 38 1HG2 VAL 38 -12.782 4.945 -4.794 301 HG23 VAL 38 2HG2 VAL 38 -14.498 4.505 -4.966 302 H LEU 39 H LEU 39 -10.553 3.537 -2.707 303 HA LEU 39 HA LEU 39 -10.524 2.957 0.173 304 HB2 LEU 39 1HB LEU 39 -8.844 1.891 -2.047 305 HB3 LEU 39 2HB LEU 39 -8.074 2.197 -0.503 306 HG LEU 39 HG LEU 39 -10.573 0.515 -0.729 307 HD11 LEU 39 1HD1 LEU 39 -9.403 -1.412 -1.167 308 HD12 LEU 39 2HD1 LEU 39 -8.503 -0.238 -2.157 309 HD13 LEU 39 3HD1 LEU 39 -7.861 -0.748 -0.577 310 HD21 LEU 39 3HD2 LEU 39 -9.893 1.431 1.497 311 HD22 LEU 39 1HD2 LEU 39 -9.948 -0.346 1.414 312 HD23 LEU 39 2HD2 LEU 39 -8.383 0.499 1.361 313 H ARG 40 H ARG 40 -10.206 4.858 1.201 314 HA ARG 40 HA ARG 40 -9.222 7.096 -0.042 315 HB2 ARG 40 1HB ARG 40 -10.345 6.489 2.432 316 HB3 ARG 40 2HB ARG 40 -8.714 6.938 2.889 317 HG2 ARG 40 1HG ARG 40 -8.980 9.145 2.239 318 HG3 ARG 40 2HG ARG 40 -10.027 8.739 0.893 319 HD2 ARG 40 1HD ARG 40 -11.549 7.981 3.129 320 HD3 ARG 40 2HD ARG 40 -10.741 9.438 3.674 321 HE ARG 40 HE ARG 40 -12.078 10.677 2.216 322 HH11 ARG 40 2HH2 ARG 40 -12.043 7.312 1.109 323 HH12 ARG 40 1HH2 ARG 40 -13.212 7.581 -0.141 324 HH21 ARG 40 1HH ARG 40 -14.125 9.776 -0.441 325 H VAL 41 H VAL 41 -7.143 7.978 -0.295 326 HA VAL 41 HA VAL 41 -4.950 6.636 1.087 327 HB VAL 41 HB VAL 41 -3.675 6.449 -0.957 328 HG11 VAL 41 1HG1 VAL 41 -5.444 4.683 -0.165 329 HG12 VAL 41 2HG1 VAL 41 -6.300 5.156 -1.653 330 HG13 VAL 41 3HG1 VAL 41 -4.648 4.499 -1.747 331 HG21 VAL 41 3HG2 VAL 41 -4.754 8.388 -2.128 332 HG22 VAL 41 1HG2 VAL 41 -4.555 6.939 -3.143 333 HG23 VAL 41 2HG2 VAL 41 -6.152 7.341 -2.467 334 H GLY 42 H GLY 42 -2.813 7.981 0.510 335 HA2 GLY 42 1HA GLY 42 -3.152 10.731 -0.122 336 HA3 GLY 42 2HA GLY 42 -3.103 10.501 1.614 337 H ARG 43 H ARG 43 -1.132 10.275 2.628 338 HA ARG 43 HA ARG 43 1.015 8.966 1.605 339 HB2 ARG 43 1HB ARG 43 0.758 11.225 0.082 340 HB3 ARG 43 2HB ARG 43 1.738 11.875 1.380 341 HG2 ARG 43 1HG ARG 43 3.378 9.981 1.043 342 HG3 ARG 43 2HG ARG 43 2.417 9.423 -0.312 343 HD2 ARG 43 1HD ARG 43 3.217 12.318 -0.360 344 HD3 ARG 43 2HD ARG 43 4.508 11.154 -0.585 345 HE ARG 43 HE ARG 43 2.651 10.186 -2.324 346 HH11 ARG 43 2HH2 ARG 43 3.820 13.491 -1.809 347 HH12 ARG 43 1HH2 ARG 43 3.544 13.977 -3.448 348 HH21 ARG 43 1HH ARG 43 2.643 12.394 -5.006 349 H PHE 44 H PHE 44 2.318 8.583 3.392 350 HA PHE 44 HA PHE 44 1.691 9.785 5.839 351 HB2 PHE 44 1HB PHE 44 2.874 7.500 5.054 352 HB3 PHE 44 2HB PHE 44 4.346 8.448 5.134 353 HD1 PHE 44 1HD PHE 44 4.650 9.788 7.414 354 HD2 PHE 44 2HD PHE 44 2.232 6.334 6.938 355 HE1 PHE 44 1HE PHE 44 4.804 9.341 9.879 356 HE2 PHE 44 2HE PHE 44 2.386 5.886 9.403 357 HZ PHE 44 HZ PHE 44 3.671 7.395 10.844 358 H GLU 45 H GLU 45 4.015 10.581 3.280 359 HA GLU 45 HA GLU 45 5.934 11.909 4.573 360 HB2 GLU 45 1HB GLU 45 4.520 12.408 1.955 361 HB3 GLU 45 2HB GLU 45 5.709 13.576 2.497 362 HG2 GLU 45 1HG GLU 45 6.947 11.074 2.940 363 HG3 GLU 45 2HG GLU 45 6.117 10.877 1.409 364 HE2 GLU 45 HE GLU 45 7.794 11.274 -0.083 365 H ASP 46 H ASP 46 2.645 13.183 3.755 366 HA ASP 46 HA ASP 46 3.254 15.620 5.134 367 HB2 ASP 46 1HB ASP 46 0.840 16.165 4.536 368 HB3 ASP 46 2HB ASP 46 1.886 15.846 3.167 369 HD2 ASP 46 HD ASP 46 0.772 14.341 1.674 370 H ASP 47 H ASP 47 1.042 12.750 5.378 371 HA ASP 47 HA ASP 47 1.215 12.483 8.065 372 HB2 ASP 47 1HB ASP 47 -0.216 14.807 7.584 373 HB3 ASP 47 2HB ASP 47 -1.510 13.630 7.688 374 HD2 ASP 47 HD ASP 47 -1.350 15.554 9.578 375 H GLY 48 H GLY 48 -1.017 12.574 5.227 376 HA2 GLY 48 1HA GLY 48 -1.392 10.105 4.545 377 HA3 GLY 48 2HA GLY 48 -2.253 10.044 6.070 378 H TYR 49 H TYR 49 -3.611 9.516 3.678 379 HA TYR 49 HA TYR 49 -5.406 10.078 2.504 380 HB2 TYR 49 1HB TYR 49 -6.590 10.445 4.554 381 HB3 TYR 49 2HB TYR 49 -5.502 11.723 5.057 382 HD1 TYR 49 1HD TYR 49 -8.275 10.950 2.686 383 HD2 TYR 49 2HD TYR 49 -6.058 13.996 4.714 384 HE1 TYR 49 1HE TYR 49 -9.960 12.694 1.923 385 HE2 TYR 49 2HE TYR 49 -7.750 15.730 3.944 386 HH TYR 49 HH TYR 49 -9.825 15.979 3.129 387 H PHE 50 H PHE 50 -5.900 11.312 0.704 388 HA PHE 50 HA PHE 50 -5.524 14.048 0.514 389 HB2 PHE 50 1HB PHE 50 -3.090 12.663 0.551 390 HB3 PHE 50 2HB PHE 50 -3.422 12.711 -1.169 391 HD1 PHE 50 1HD PHE 50 -3.057 14.874 1.824 392 HD2 PHE 50 2HD PHE 50 -2.997 14.655 -2.413 393 HE1 PHE 50 1HE PHE 50 -2.154 17.214 1.716 394 HE2 PHE 50 2HE PHE 50 -2.094 16.994 -2.522 395 HZ PHE 50 HZ PHE 50 -1.684 18.246 -0.456 396 H CYS 51 H CYS 51 -5.412 10.847 -1.113 397 HA CYS 51 HA CYS 51 -7.159 11.993 -3.157 398 HB2 CYS 51 1HB CYS 51 -5.091 9.904 -3.851 399 HB3 CYS 51 2HB CYS 51 -6.043 10.903 -4.931 400 HG CYS 51 HG CYS 51 -4.858 13.043 -4.718 401 H THR 52 H THR 52 -8.130 9.900 -4.443 402 HA THR 52 HA THR 52 -8.734 7.845 -2.424 403 HB THR 52 HB THR 52 -10.774 8.971 -4.390 404 HG1 THR 52 1HG THR 52 -11.221 10.505 -2.719 405 HG21 THR 52 3HG2 THR 52 -11.866 8.366 -1.836 406 HG22 THR 52 1HG2 THR 52 -12.081 7.421 -3.329 407 HG23 THR 52 2HG2 THR 52 -10.763 7.018 -2.202 408 H ILE 53 H ILE 53 -9.105 5.735 -3.191 409 HA ILE 53 HA ILE 53 -8.529 5.370 -6.039 410 HB ILE 53 HB ILE 53 -6.939 3.686 -5.629 411 HG12 ILE 53 1HG1 ILE 53 -6.482 3.619 -2.852 412 HG13 ILE 53 2HG1 ILE 53 -8.221 3.506 -3.034 413 HG21 ILE 53 1HG2 ILE 53 -5.816 5.419 -3.566 414 HG22 ILE 53 2HG2 ILE 53 -5.263 5.099 -5.228 415 HG23 ILE 53 3HG2 ILE 53 -6.514 6.329 -4.927 416 HD11 ILE 53 3HD1 ILE 53 -6.426 1.829 -4.807 417 HD12 ILE 53 1HD1 ILE 53 -6.774 1.310 -3.140 418 HD13 ILE 53 2HD1 ILE 53 -8.105 1.521 -4.302 419 H GLU 54 H GLU 54 -8.977 2.900 -6.588 420 HA GLU 54 HA GLU 54 -11.366 2.147 -5.094 421 HB2 GLU 54 1HB GLU 54 -11.238 3.020 -7.799 422 HB3 GLU 54 2HB GLU 54 -11.491 1.288 -7.874 423 HG2 GLU 54 1HG GLU 54 -13.572 1.393 -6.829 424 HG3 GLU 54 2HG GLU 54 -13.149 2.803 -5.878 425 HE2 GLU 54 HE GLU 54 -14.770 2.953 -9.457 426 H VAL 55 H VAL 55 -11.636 -0.080 -4.683 427 HA VAL 55 HA VAL 55 -9.257 -1.626 -4.848 428 HB VAL 55 HB VAL 55 -11.847 -2.908 -4.206 429 HG11 VAL 55 1HG1 VAL 55 -10.478 -3.593 -2.178 430 HG12 VAL 55 2HG1 VAL 55 -9.874 -4.156 -3.755 431 HG13 VAL 55 3HG1 VAL 55 -9.096 -2.775 -2.945 432 HG21 VAL 55 3HG2 VAL 55 -12.539 -0.958 -3.192 433 HG22 VAL 55 1HG2 VAL 55 -11.612 -1.702 -1.867 434 HG23 VAL 55 2HG2 VAL 55 -10.880 -0.413 -2.852 435 H THR 56 H THR 56 -9.214 -3.869 -5.816 436 HA THR 56 HA THR 56 -10.969 -4.158 -8.131 437 HB THR 56 HB THR 56 -8.856 -2.831 -8.762 438 HG1 THR 56 1HG THR 56 -9.939 -4.064 -10.376 439 HG21 THR 56 3HG2 THR 56 -7.330 -4.314 -7.250 440 HG22 THR 56 1HG2 THR 56 -7.512 -5.558 -8.510 441 HG23 THR 56 2HG2 THR 56 -6.757 -3.996 -8.905 442 H ALA 57 H ALA 57 -8.323 -5.514 -6.087 443 HA ALA 57 HA ALA 57 -9.772 -8.035 -6.126 444 HB1 ALA 57 3HB ALA 57 -8.350 -8.931 -7.627 445 HB2 ALA 57 1HB ALA 57 -7.285 -7.505 -7.573 446 HB3 ALA 57 2HB ALA 57 -7.092 -8.806 -6.373 447 H THR 58 H THR 58 -8.648 -9.593 -4.473 448 HA THR 58 HA THR 58 -7.067 -8.326 -2.452 449 HB THR 58 HB THR 58 -10.070 -8.654 -2.157 450 HG1 THR 58 1HG THR 58 -9.598 -6.494 -2.077 451 HG21 THR 58 3HG2 THR 58 -9.611 -9.775 -0.158 452 HG22 THR 58 1HG2 THR 58 -7.946 -9.152 -0.077 453 HG23 THR 58 2HG2 THR 58 -9.311 -8.108 0.388 454 H SER 59 H SER 59 -6.018 -9.804 -1.159 455 HA SER 59 HA SER 59 -6.989 -12.481 -1.083 456 HB2 SER 59 1HB SER 59 -4.302 -12.863 -1.920 457 HB3 SER 59 2HB SER 59 -5.759 -13.335 -2.770 458 HG SER 59 HG SER 59 -5.263 -10.623 -3.071 459 H THR 60 H THR 60 -5.317 -13.891 0.240 460 HA THR 60 HA THR 60 -4.217 -12.138 2.326 461 HB THR 60 HB THR 60 -4.337 -14.614 3.454 462 HG1 THR 60 1HG THR 60 -5.824 -15.842 2.298 463 HG21 THR 60 3HG2 THR 60 -7.040 -13.354 3.058 464 HG22 THR 60 1HG2 THR 60 -6.253 -13.887 4.563 465 HG23 THR 60 2HG2 THR 60 -5.791 -12.338 3.818 466 H VAL 61 H VAL 61 -2.110 -11.720 2.127 467 HA VAL 61 HA VAL 61 -0.307 -13.936 1.931 468 HB VAL 61 HB VAL 61 0.268 -11.927 -0.148 469 HG11 VAL 61 1HG1 VAL 61 1.384 -14.266 0.555 470 HG12 VAL 61 2HG1 VAL 61 0.235 -14.862 -0.667 471 HG13 VAL 61 3HG1 VAL 61 1.442 -13.630 -1.106 472 HG21 VAL 61 3HG2 VAL 61 -1.883 -13.997 -0.683 473 HG22 VAL 61 1HG2 VAL 61 -2.220 -12.279 -0.360 474 HG23 VAL 61 2HG2 VAL 61 -1.269 -12.746 -1.791 475 H THR 62 H THR 62 2.074 -12.921 1.841 476 HA THR 62 HA THR 62 2.169 -11.125 4.061 477 HB THR 62 HB THR 62 4.495 -11.978 2.289 478 HG1 THR 62 1HG THR 62 3.480 -13.951 2.681 479 HG21 THR 62 3HG2 THR 62 5.739 -11.401 4.117 480 HG22 THR 62 1HG2 THR 62 4.264 -10.717 4.842 481 HG23 THR 62 2HG2 THR 62 4.715 -12.407 5.169 482 H LEU 63 H LEU 63 4.596 -9.692 3.155 483 HA LEU 63 HA LEU 63 3.167 -7.621 1.666 484 HB2 LEU 63 1HB LEU 63 5.040 -6.174 2.499 485 HB3 LEU 63 2HB LEU 63 3.924 -6.783 3.704 486 HG LEU 63 HG LEU 63 5.997 -8.679 3.622 487 HD11 LEU 63 1HD1 LEU 63 8.005 -7.676 3.420 488 HD12 LEU 63 2HD1 LEU 63 7.093 -6.522 2.418 489 HD13 LEU 63 3HD1 LEU 63 7.438 -6.142 4.122 490 HD21 LEU 63 3HD2 LEU 63 4.725 -8.031 5.595 491 HD22 LEU 63 1HD2 LEU 63 6.473 -7.873 5.891 492 HD23 LEU 63 2HD2 LEU 63 5.488 -6.423 5.582 493 H ASP 64 H ASP 64 6.631 -8.689 1.913 494 HA ASP 64 HA ASP 64 7.334 -7.795 -0.552 495 HB2 ASP 64 1HB ASP 64 8.614 -9.052 1.506 496 HB3 ASP 64 2HB ASP 64 8.545 -10.384 0.369 497 HD2 ASP 64 HD ASP 64 11.506 -9.510 -0.292 498 H THR 65 H THR 65 5.113 -10.264 0.244 499 HA THR 65 HA THR 65 5.686 -12.060 -1.923 500 HB THR 65 HB THR 65 3.277 -12.840 -1.100 501 HG1 THR 65 1HG THR 65 3.181 -10.619 0.010 502 HG21 THR 65 3HG2 THR 65 5.443 -13.980 -0.429 503 HG22 THR 65 1HG2 THR 65 5.608 -12.794 0.888 504 HG23 THR 65 2HG2 THR 65 4.244 -13.938 0.887 505 H LEU 66 H LEU 66 4.668 -8.921 -1.950 506 HA LEU 66 HA LEU 66 3.852 -9.010 -4.592 507 HB2 LEU 66 1HB LEU 66 1.422 -8.359 -4.226 508 HB3 LEU 66 2HB LEU 66 1.850 -10.056 -4.128 509 HG LEU 66 HG LEU 66 2.059 -9.377 -1.509 510 HD11 LEU 66 1HD1 LEU 66 1.234 -7.030 -2.242 511 HD12 LEU 66 2HD1 LEU 66 -0.365 -7.806 -2.344 512 HD13 LEU 66 3HD1 LEU 66 0.521 -7.793 -0.800 513 HD21 LEU 66 3HD2 LEU 66 -0.203 -10.446 -3.163 514 HD22 LEU 66 1HD2 LEU 66 0.848 -11.276 -1.989 515 HD23 LEU 66 2HD2 LEU 66 -0.430 -10.176 -1.418 516 H THR 67 H THR 67 3.555 -7.437 -1.375 517 HA THR 67 HA THR 67 3.032 -4.871 -2.031 518 HB THR 67 HB THR 67 3.733 -6.174 0.225 519 HG1 THR 67 1HG THR 67 4.265 -3.368 -0.464 520 HG21 THR 67 3HG2 THR 67 6.286 -5.581 -0.910 521 HG22 THR 67 1HG2 THR 67 6.016 -4.356 0.352 522 HG23 THR 67 2HG2 THR 67 5.952 -6.087 0.764 523 H GLU 68 H GLU 68 4.274 -2.956 -2.480 524 HA GLU 68 HA GLU 68 5.848 -3.222 -4.680 525 HB2 GLU 68 1HB GLU 68 5.222 -1.058 -2.736 526 HB3 GLU 68 2HB GLU 68 6.704 -0.816 -3.640 527 HG2 GLU 68 1HG GLU 68 4.454 -1.766 -5.322 528 HG3 GLU 68 2HG GLU 68 4.136 -0.224 -4.553 529 HE2 GLU 68 HE GLU 68 7.372 -0.694 -6.847 530 H LYS 69 H LYS 69 6.666 -3.703 -1.315 531 HA LYS 69 HA LYS 69 9.313 -3.047 -1.207 532 HB2 LYS 69 1HB LYS 69 7.860 -3.873 0.658 533 HB3 LYS 69 2HB LYS 69 8.025 -5.499 0.027 534 HG2 LYS 69 1HG LYS 69 10.669 -4.719 0.108 535 HG3 LYS 69 2HG LYS 69 10.024 -3.810 1.460 536 HD2 LYS 69 1HD LYS 69 9.123 -5.862 2.481 537 HD3 LYS 69 2HD LYS 69 9.579 -6.807 1.078 538 HE2 LYS 69 1HE LYS 69 11.988 -6.286 1.502 539 HE3 LYS 69 2HE LYS 69 11.539 -5.326 2.897 540 HZ1 LYS 69 2HZ LYS 69 10.926 -7.217 4.078 541 HZ3 LYS 69 1HZ LYS 69 12.166 -7.818 3.211 542 H HIS 70 H HIS 70 7.728 -5.793 -2.850 543 HA HIS 70 HA HIS 70 10.122 -7.202 -3.325 544 HB2 HIS 70 1HB HIS 70 8.161 -8.470 -3.399 545 HB3 HIS 70 2HB HIS 70 7.319 -7.309 -4.407 546 HD1 HIS 70 1HD HIS 70 8.505 -10.561 -4.706 547 HD2 HIS 70 2HD HIS 70 9.072 -7.134 -7.057 548 HE1 HIS 70 1HE HIS 70 9.193 -11.388 -7.020 549 H ALA 71 H ALA 71 8.057 -5.064 -5.418 550 HA ALA 71 HA ALA 71 9.675 -5.127 -7.649 551 HB1 ALA 71 3HB ALA 71 8.609 -2.712 -7.906 552 HB2 ALA 71 1HB ALA 71 7.588 -4.168 -7.985 553 HB3 ALA 71 2HB ALA 71 7.665 -3.215 -6.483 554 H GLU 72 H GLU 72 9.913 -3.207 -4.629 555 HA GLU 72 HA GLU 72 11.947 -1.541 -5.643 556 HB2 GLU 72 1HB GLU 72 10.298 -1.602 -3.369 557 HB3 GLU 72 2HB GLU 72 11.906 -1.847 -2.718 558 HG2 GLU 72 1HG GLU 72 12.667 0.165 -4.128 559 HG3 GLU 72 2HG GLU 72 10.977 0.459 -4.486 560 HE2 GLU 72 HE GLU 72 13.031 0.707 -1.320 561 H GLN 73 H GLN 73 11.843 -4.543 -3.645 562 HA GLN 73 HA GLN 73 14.423 -4.672 -2.867 563 HB2 GLN 73 1HB GLN 73 12.259 -6.344 -2.742 564 HB3 GLN 73 2HB GLN 73 13.263 -7.236 -3.869 565 HG2 GLN 73 1HG GLN 73 15.117 -6.489 -1.938 566 HG3 GLN 73 2HG GLN 73 13.674 -6.722 -0.971 567 HE21 GLN 73 2HE2 GLN 73 15.484 -9.946 -1.152 568 HE22 GLN 73 1HE2 GLN 73 15.787 -8.337 -0.585 569 H GLU 74 H GLU 74 13.034 -5.336 -6.097 570 HA GLU 74 HA GLU 74 15.650 -6.165 -7.017 571 HB2 GLU 74 1HB GLU 74 12.892 -6.711 -7.800 572 HB3 GLU 74 2HB GLU 74 13.815 -6.158 -9.183 573 HG2 GLU 74 1HG GLU 74 15.609 -7.909 -7.997 574 HG3 GLU 74 2HG GLU 74 14.079 -8.674 -7.617 575 HE2 GLU 74 HE GLU 74 16.230 -8.921 -10.288 576 H ASN 75 H ASN 75 15.029 -3.359 -6.166 577 HA ASN 75 HA ASN 75 15.882 -2.136 -8.638 578 HB2 ASN 75 1HB ASN 75 13.328 -1.818 -8.290 579 HB3 ASN 75 2HB ASN 75 13.731 -0.845 -6.889 580 HD21 ASN 75 2HD2 ASN 75 15.213 1.854 -8.705 581 HD22 ASN 75 1HD2 ASN 75 15.334 0.921 -7.251 582 H MET 76 H MET 76 14.844 -1.371 -5.218 583 HA MET 76 HA MET 76 17.131 0.362 -4.963 584 HB2 MET 76 1HB MET 76 14.824 -0.336 -3.061 585 HB3 MET 76 2HB MET 76 16.034 0.886 -2.725 586 HG2 MET 76 1HG MET 76 14.189 0.933 -5.163 587 HG3 MET 76 2HG MET 76 13.882 1.819 -3.683 588 HE1 MET 76 3HE MET 76 15.154 3.717 -2.792 589 HE2 MET 76 1HE MET 76 15.850 4.907 -3.918 590 HE3 MET 76 2HE MET 76 14.169 4.362 -4.127 591 H THR 77 H THR 77 18.057 0.232 -2.467 592 HA THR 77 HA THR 77 19.212 -2.435 -2.343 593 HB THR 77 HB THR 77 20.642 -0.373 -2.309 594 HG1 THR 77 1HG THR 77 21.860 -1.365 -0.684 595 HG21 THR 77 3HG2 THR 77 18.838 0.928 -0.856 596 HG22 THR 77 1HG2 THR 77 19.630 0.112 0.513 597 HG23 THR 77 2HG2 THR 77 20.568 1.202 -0.537 598 H LEU 78 H LEU 78 19.775 -2.959 0.200 599 HA LEU 78 HA LEU 78 17.239 -3.745 1.203 600 HB2 LEU 78 1HB LEU 78 20.085 -4.205 1.816 601 HB3 LEU 78 2HB LEU 78 19.010 -4.287 3.198 602 HG LEU 78 HG LEU 78 17.663 -6.008 2.084 603 HD11 LEU 78 1HD1 LEU 78 17.660 -6.100 -0.137 604 HD12 LEU 78 2HD1 LEU 78 19.159 -5.147 -0.251 605 HD13 LEU 78 3HD1 LEU 78 19.241 -6.912 -0.030 606 HD21 LEU 78 3HD2 LEU 78 20.268 -6.289 3.115 607 HD22 LEU 78 1HD2 LEU 78 18.986 -7.520 3.023 608 HD23 LEU 78 2HD2 LEU 78 20.172 -7.370 1.704 609 H THR 79 H THR 79 19.630 -1.184 1.962 610 HA THR 79 HA THR 79 18.510 -0.381 4.399 611 HB THR 79 HB THR 79 20.215 0.934 2.239 612 HG1 THR 79 1HG THR 79 21.762 0.498 3.944 613 HG21 THR 79 3HG2 THR 79 20.032 2.101 5.005 614 HG22 THR 79 1HG2 THR 79 20.402 2.908 3.462 615 HG23 THR 79 2HG2 THR 79 18.717 2.515 3.880 616 H GLU 80 H GLU 80 17.820 0.649 1.009 617 HA GLU 80 HA GLU 80 15.975 2.590 1.819 618 HB2 GLU 80 1HB GLU 80 16.817 1.303 -0.741 619 HB3 GLU 80 2HB GLU 80 15.210 2.002 -0.744 620 HG2 GLU 80 1HG GLU 80 17.267 3.518 -1.383 621 HG3 GLU 80 2HG GLU 80 15.998 4.184 -0.375 622 HE2 GLU 80 HE GLU 80 19.555 3.802 -0.009 623 H LEU 81 H LEU 81 15.758 -0.895 1.020 624 HA LEU 81 HA LEU 81 12.973 -1.026 0.808 625 HB2 LEU 81 1HB LEU 81 15.201 -2.953 1.274 626 HB3 LEU 81 2HB LEU 81 13.563 -3.491 1.589 627 HG LEU 81 HG LEU 81 14.825 -3.673 -0.809 628 HD11 LEU 81 1HD1 LEU 81 12.641 -4.688 0.077 629 HD12 LEU 81 2HD1 LEU 81 11.838 -3.293 -0.683 630 HD13 LEU 81 3HD1 LEU 81 12.788 -4.423 -1.677 631 HD21 LEU 81 3HD2 LEU 81 14.770 -1.150 -0.979 632 HD22 LEU 81 1HD2 LEU 81 14.077 -2.043 -2.355 633 HD23 LEU 81 2HD2 LEU 81 13.004 -1.286 -1.153 634 H LYS 82 H LYS 82 15.223 -1.086 3.594 635 HA LYS 82 HA LYS 82 13.196 -1.824 5.449 636 HB2 LYS 82 1HB LYS 82 15.915 -1.876 5.465 637 HB3 LYS 82 2HB LYS 82 15.628 -0.429 6.410 638 HG2 LYS 82 1HG LYS 82 15.107 -1.711 8.202 639 HG3 LYS 82 2HG LYS 82 13.730 -2.356 7.331 640 HD2 LYS 82 1HD LYS 82 14.861 -4.290 6.673 641 HD3 LYS 82 2HD LYS 82 16.426 -3.502 6.648 642 HE2 LYS 82 1HE LYS 82 16.784 -3.810 8.930 643 HE3 LYS 82 2HE LYS 82 15.080 -3.716 9.326 644 HZ1 LYS 82 2HZ LYS 82 14.846 -5.938 9.033 645 HZ3 LYS 82 1HZ LYS 82 16.468 -6.024 9.157 646 H LYS 83 H LYS 83 14.599 1.234 4.209 647 HA LYS 83 HA LYS 83 13.431 2.919 6.101 648 HB2 LYS 83 1HB LYS 83 15.066 3.149 3.812 649 HB3 LYS 83 2HB LYS 83 13.666 4.154 3.495 650 HG2 LYS 83 1HG LYS 83 15.407 5.450 4.679 651 HG3 LYS 83 2HG LYS 83 13.968 5.313 5.670 652 HD2 LYS 83 1HD LYS 83 15.290 4.489 7.321 653 HD3 LYS 83 2HD LYS 83 15.461 3.031 6.364 654 HE2 LYS 83 1HE LYS 83 17.314 4.637 5.123 655 HE3 LYS 83 2HE LYS 83 17.388 5.287 6.748 656 HZ1 LYS 83 2HZ LYS 83 17.454 2.367 6.430 657 HZ3 LYS 83 1HZ LYS 83 18.150 3.282 7.583 658 H VAL 84 H VAL 84 12.304 1.917 2.798 659 HA VAL 84 HA VAL 84 9.874 3.298 2.976 660 HB VAL 84 HB VAL 84 9.253 2.029 1.037 661 HG11 VAL 84 1HG1 VAL 84 11.673 2.172 -0.171 662 HG12 VAL 84 2HG1 VAL 84 10.658 3.591 0.183 663 HG13 VAL 84 3HG1 VAL 84 11.990 3.153 1.280 664 HG21 VAL 84 3HG2 VAL 84 10.647 0.150 0.202 665 HG22 VAL 84 1HG2 VAL 84 11.583 0.204 1.715 666 HG23 VAL 84 2HG2 VAL 84 9.853 -0.212 1.753 667 H ILE 85 H ILE 85 10.772 -0.151 3.639 668 HA ILE 85 HA ILE 85 8.259 -1.066 4.269 669 HB ILE 85 HB ILE 85 11.044 -1.830 5.015 670 HG12 ILE 85 1HG1 ILE 85 9.656 -2.351 2.822 671 HG13 ILE 85 2HG1 ILE 85 10.768 -3.517 3.511 672 HG21 ILE 85 1HG2 ILE 85 9.641 -3.923 6.030 673 HG22 ILE 85 2HG2 ILE 85 10.338 -2.605 7.003 674 HG23 ILE 85 3HG2 ILE 85 8.621 -2.555 6.536 675 HD11 ILE 85 3HD1 ILE 85 8.211 -4.144 2.899 676 HD12 ILE 85 1HD1 ILE 85 9.080 -4.917 4.247 677 HD13 ILE 85 2HD1 ILE 85 7.960 -3.571 4.565 678 H ALA 86 H ALA 86 10.627 0.757 6.267 679 HA ALA 86 HA ALA 86 9.043 0.537 8.628 680 HB1 ALA 86 3HB ALA 86 11.584 0.880 8.412 681 HB2 ALA 86 1HB ALA 86 11.208 2.580 8.044 682 HB3 ALA 86 2HB ALA 86 10.736 1.883 9.613 683 H ASP 87 H ASP 87 9.049 2.535 5.750 684 HA ASP 87 HA ASP 87 7.701 4.695 7.032 685 HB2 ASP 87 1HB ASP 87 8.894 4.104 4.418 686 HB3 ASP 87 2HB ASP 87 7.326 4.861 4.222 687 HD2 ASP 87 HD ASP 87 10.348 6.259 6.208 688 H ILE 88 H ILE 88 6.973 1.682 5.315 689 HA ILE 88 HA ILE 88 4.185 2.455 4.959 690 HB ILE 88 HB ILE 88 5.327 -0.185 4.146 691 HG12 ILE 88 1HG1 ILE 88 6.347 2.383 3.267 692 HG13 ILE 88 2HG1 ILE 88 6.930 0.767 2.924 693 HG21 ILE 88 1HG2 ILE 88 3.649 -0.163 2.507 694 HG22 ILE 88 2HG2 ILE 88 2.868 0.489 3.967 695 HG23 ILE 88 3HG2 ILE 88 3.386 1.590 2.669 696 HD11 ILE 88 3HD1 ILE 88 6.302 1.716 0.806 697 HD12 ILE 88 1HD1 ILE 88 5.019 0.554 1.221 698 HD13 ILE 88 2HD1 ILE 88 4.749 2.298 1.451 699 H TYR 89 H TYR 89 6.084 -0.342 6.305 700 HA TYR 89 HA TYR 89 4.956 -0.338 8.796 701 HB2 TYR 89 1HB TYR 89 3.303 -2.345 8.291 702 HB3 TYR 89 2HB TYR 89 2.754 -0.733 7.880 703 HD1 TYR 89 1HD TYR 89 4.788 -3.448 6.253 704 HD2 TYR 89 2HD TYR 89 1.688 -0.528 5.838 705 HE1 TYR 89 1HE TYR 89 4.406 -4.184 3.849 706 HE2 TYR 89 2HE TYR 89 1.317 -1.274 3.436 707 HH TYR 89 HH TYR 89 3.092 -2.514 1.643 708 HA PRO 90 HA PRO 90 7.662 -3.698 9.101 709 HB2 PRO 90 2HB PRO 90 7.750 -3.550 11.397 710 HB3 PRO 90 1HB PRO 90 6.787 -5.013 11.331 711 HG2 PRO 90 1HG PRO 90 4.858 -3.890 11.908 712 HG3 PRO 90 2HG PRO 90 5.906 -2.563 12.370 713 HD2 PRO 90 1HD PRO 90 4.011 -2.584 10.217 714 HD3 PRO 90 2HD PRO 90 5.140 -1.302 10.607 715 H GLY 91 H GLY 91 4.302 -4.678 9.379 716 HA2 GLY 91 1HA GLY 91 3.213 -6.449 8.528 717 HA3 GLY 91 2HA GLY 91 4.404 -6.451 7.244 718 H GLN 92 H GLN 92 3.156 -8.167 9.934 719 HA GLN 92 HA GLN 92 5.594 -9.596 10.432 720 HB2 GLN 92 1HB GLN 92 3.646 -8.950 12.116 721 HB3 GLN 92 2HB GLN 92 2.896 -10.417 11.520 722 HG2 GLN 92 1HG GLN 92 5.287 -11.492 11.990 723 HG3 GLN 92 2HG GLN 92 5.495 -10.104 13.040 724 HE21 GLN 92 2HE2 GLN 92 3.995 -13.099 14.820 725 HE22 GLN 92 1HE2 GLN 92 5.332 -12.892 13.738 726 H THR 93 H THR 93 3.715 -12.079 10.939 727 HA THR 93 HA THR 93 4.395 -13.444 8.590 728 HB THR 93 HB THR 93 3.162 -15.269 9.653 729 HG1 THR 93 1HG THR 93 1.517 -14.710 11.161 730 HG21 THR 93 3HG2 THR 93 5.167 -14.008 11.002 731 HG22 THR 93 1HG2 THR 93 3.829 -13.708 12.137 732 HG23 THR 93 2HG2 THR 93 4.270 -15.377 11.701 733 H GLN 94 H GLN 94 2.957 -14.479 7.010 734 HA GLN 94 HA GLN 94 1.752 -12.986 5.351 735 HB2 GLN 94 1HB GLN 94 1.684 -15.654 5.726 736 HB3 GLN 94 2HB GLN 94 0.014 -15.312 6.133 737 HG2 GLN 94 1HG GLN 94 0.262 -13.807 3.851 738 HG3 GLN 94 2HG GLN 94 1.413 -15.080 3.499 739 HE21 GLN 94 2HE2 GLN 94 -1.128 -17.080 2.272 740 HE22 GLN 94 1HE2 GLN 94 0.404 -16.300 2.063 741 H PHE 95 H PHE 95 -0.072 -11.688 5.007 742 HA PHE 95 HA PHE 95 -2.119 -11.694 7.072 743 HB2 PHE 95 1HB PHE 95 -0.020 -9.640 6.509 744 HB3 PHE 95 2HB PHE 95 -1.639 -8.970 6.491 745 HD1 PHE 95 1HD PHE 95 -3.137 -9.773 8.568 746 HD2 PHE 95 2HD PHE 95 1.104 -9.636 8.518 747 HE1 PHE 95 1HE PHE 95 -3.111 -9.646 11.075 748 HE2 PHE 95 2HE PHE 95 1.130 -9.508 11.024 749 HZ PHE 95 HZ PHE 95 -0.978 -9.515 12.273 750 H TYR 96 H TYR 96 -3.745 -9.695 6.329 751 HA TYR 96 HA TYR 96 -4.787 -10.610 3.862 752 HB2 TYR 96 1HB TYR 96 -5.420 -8.933 6.171 753 HB3 TYR 96 2HB TYR 96 -5.766 -7.999 4.729 754 HD1 TYR 96 2HD TYR 96 -6.349 -11.473 6.040 755 HD2 TYR 96 1HD TYR 96 -7.909 -8.141 3.857 756 HE1 TYR 96 2HE TYR 96 -8.578 -12.671 5.790 757 HE2 TYR 96 1HE TYR 96 -10.132 -9.350 3.614 758 HH TYR 96 HH TYR 96 -11.378 -11.071 4.765 759 H VAL 97 H VAL 97 -4.914 -9.589 1.832 760 HA VAL 97 HA VAL 97 -3.326 -7.145 1.548 761 HB VAL 97 HB VAL 97 -3.065 -9.709 -0.025 762 HG11 VAL 97 1HG1 VAL 97 -2.049 -8.653 -1.770 763 HG12 VAL 97 2HG1 VAL 97 -3.129 -7.330 -1.271 764 HG13 VAL 97 3HG1 VAL 97 -1.425 -7.331 -0.755 765 HG21 VAL 97 3HG2 VAL 97 -1.429 -10.044 1.474 766 HG22 VAL 97 1HG2 VAL 97 -0.541 -8.768 0.607 767 HG23 VAL 97 2HG2 VAL 97 -1.495 -8.363 2.054 768 H ILE 98 H ILE 98 -4.267 -5.622 0.232 769 HA ILE 98 HA ILE 98 -6.613 -6.529 -1.285 770 HB ILE 98 HB ILE 98 -6.460 -3.814 -0.030 771 HG12 ILE 98 1HG1 ILE 98 -6.057 -5.282 1.839 772 HG13 ILE 98 2HG1 ILE 98 -7.700 -4.678 1.922 773 HG21 ILE 98 1HG2 ILE 98 -9.005 -5.289 -0.255 774 HG22 ILE 98 2HG2 ILE 98 -8.605 -3.602 -0.660 775 HG23 ILE 98 3HG2 ILE 98 -8.208 -4.909 -1.801 776 HD11 ILE 98 3HD1 ILE 98 -7.507 -7.180 0.369 777 HD12 ILE 98 1HD1 ILE 98 -6.950 -7.360 2.050 778 HD13 ILE 98 2HD1 ILE 98 -8.593 -6.762 1.716 779 H GLU 99 H GLU 99 -6.344 -6.252 -3.428 780 HA GLU 99 HA GLU 99 -4.272 -4.404 -4.243 781 HB2 GLU 99 1HB GLU 99 -4.633 -6.928 -5.035 782 HB3 GLU 99 2HB GLU 99 -5.753 -6.196 -6.167 783 HG2 GLU 99 1HG GLU 99 -4.018 -4.791 -7.120 784 HG3 GLU 99 2HG GLU 99 -2.897 -5.184 -5.831 785 HE2 GLU 99 HE GLU 99 -1.509 -6.748 -8.111 786 H PHE 100 H PHE 100 -4.649 -2.630 -5.638 787 HA PHE 100 HA PHE 100 -7.355 -2.222 -6.588 788 HB2 PHE 100 1HB PHE 100 -7.214 0.139 -5.519 789 HB3 PHE 100 2HB PHE 100 -7.448 -1.174 -4.383 790 HD1 PHE 100 1HD PHE 100 -4.594 0.607 -6.018 791 HD2 PHE 100 2HD PHE 100 -6.169 -1.118 -2.475 792 HE1 PHE 100 1HE PHE 100 -2.550 1.335 -4.755 793 HE2 PHE 100 2HE PHE 100 -4.125 -0.390 -1.213 794 HZ PHE 100 HZ PHE 100 -2.341 0.828 -2.367 795 H LYS 101 H LYS 101 -7.425 -0.042 -7.884 796 HA LYS 101 HA LYS 101 -4.807 0.367 -9.146 797 HB2 LYS 101 1HB LYS 101 -7.407 0.336 -10.685 798 HB3 LYS 101 2HB LYS 101 -5.771 0.330 -11.312 799 HG2 LYS 101 1HG LYS 101 -5.384 -1.928 -10.333 800 HG3 LYS 101 2HG LYS 101 -7.000 -1.923 -9.653 801 HD2 LYS 101 1HD LYS 101 -7.947 -1.708 -11.982 802 HD3 LYS 101 2HD LYS 101 -6.321 -1.799 -12.630 803 HE2 LYS 101 1HE LYS 101 -6.030 -4.065 -11.921 804 HE3 LYS 101 2HE LYS 101 -7.357 -3.976 -10.779 805 HZ1 LYS 101 2HZ LYS 101 -8.267 -5.090 -12.605 806 HZ3 LYS 101 1HZ LYS 101 -7.518 -4.168 -13.719 807 H CYS 102 H CYS 102 -4.728 2.505 -10.373 808 HA CYS 102 HA CYS 102 -5.939 4.490 -8.648 809 HB2 CYS 102 1HB CYS 102 -3.590 4.778 -8.968 810 HB3 CYS 102 2HB CYS 102 -3.724 4.615 -10.708 811 HG CYS 102 HG CYS 102 -3.242 7.141 -9.783 812 H LEU 103 H LEU 103 -8.034 4.988 -9.266 813 HA LEU 103 HA LEU 103 -9.258 4.552 -11.605 814 HB2 LEU 103 1HB LEU 103 -10.693 6.537 -11.031 815 HB3 LEU 103 2HB LEU 103 -10.536 5.291 -9.809 816 HG LEU 103 HG LEU 103 -8.659 6.816 -8.829 817 HD11 LEU 103 1HD1 LEU 103 -10.016 8.639 -10.788 818 HD12 LEU 103 2HD1 LEU 103 -9.394 9.285 -9.250 819 HD13 LEU 103 3HD1 LEU 103 -8.290 8.475 -10.388 820 HD21 LEU 103 3HD2 LEU 103 -11.553 7.686 -8.615 821 HD22 LEU 103 1HD2 LEU 103 -10.844 6.284 -7.778 822 HD23 LEU 103 2HD2 LEU 103 -10.261 7.926 -7.413 Start of MODEL 13 1 H1 MET 1 1H MET 1 -19.087 12.725 5.760 2 HA MET 1 HA MET 1 -16.841 13.820 6.677 3 HB2 MET 1 1HB MET 1 -19.516 13.155 7.936 4 HB3 MET 1 2HB MET 1 -18.277 13.818 8.983 5 HG2 MET 1 1HG MET 1 -18.031 15.791 7.489 6 HG3 MET 1 2HG MET 1 -19.204 15.118 6.375 7 HE1 MET 1 3HE MET 1 -19.631 17.820 7.127 8 HE2 MET 1 1HE MET 1 -21.111 17.058 6.496 9 HE3 MET 1 2HE MET 1 -21.179 18.043 7.977 10 H GLN 2 H GLN 2 -15.097 12.265 6.753 11 HA GLN 2 HA GLN 2 -14.754 11.181 9.318 12 HB2 GLN 2 1HB GLN 2 -15.895 9.422 7.280 13 HB3 GLN 2 2HB GLN 2 -14.340 8.817 7.814 14 HG2 GLN 2 1HG GLN 2 -15.085 8.373 9.953 15 HG3 GLN 2 2HG GLN 2 -16.116 9.789 10.006 16 HE21 GLN 2 2HE2 GLN 2 -17.677 6.177 9.375 17 HE22 GLN 2 1HE2 GLN 2 -16.109 6.537 10.018 18 HA PRO 3 HA PRO 3 -10.622 11.320 7.980 19 HB2 PRO 3 2HB PRO 3 -9.775 10.747 10.043 20 HB3 PRO 3 1HB PRO 3 -9.363 9.246 9.238 21 HG2 PRO 3 1HG PRO 3 -11.081 8.105 10.267 22 HG3 PRO 3 2HG PRO 3 -11.192 9.479 11.349 23 HD2 PRO 3 1HD PRO 3 -13.162 8.632 9.443 24 HD3 PRO 3 2HD PRO 3 -13.220 10.071 10.442 25 H ASN 4 H ASN 4 -8.635 10.166 6.982 26 HA ASN 4 HA ASN 4 -9.445 9.262 4.561 27 HB2 ASN 4 1HB ASN 4 -7.100 9.987 5.231 28 HB3 ASN 4 2HB ASN 4 -6.883 8.443 6.030 29 HD21 ASN 4 2HD2 ASN 4 -7.018 8.729 1.899 30 HD22 ASN 4 1HD2 ASN 4 -7.709 9.940 2.928 31 H ASP 5 H ASP 5 -8.818 6.918 3.660 32 HA ASP 5 HA ASP 5 -10.140 5.053 5.414 33 HB2 ASP 5 1HB ASP 5 -9.190 4.672 2.537 34 HB3 ASP 5 2HB ASP 5 -10.292 3.625 3.408 35 HD2 ASP 5 HD ASP 5 -12.302 6.194 4.067 36 H ILE 6 H ILE 6 -7.117 5.464 3.442 37 HA ILE 6 HA ILE 6 -5.563 4.077 5.361 38 HB ILE 6 HB ILE 6 -6.425 2.076 4.538 39 HG12 ILE 6 1HG1 ILE 6 -4.187 1.858 2.697 40 HG13 ILE 6 2HG1 ILE 6 -3.725 2.737 4.141 41 HG21 ILE 6 1HG2 ILE 6 -5.911 2.801 1.662 42 HG22 ILE 6 2HG2 ILE 6 -6.968 1.540 2.341 43 HG23 ILE 6 3HG2 ILE 6 -7.431 3.253 2.470 44 HD11 ILE 6 3HD1 ILE 6 -5.401 0.440 4.834 45 HD12 ILE 6 1HD1 ILE 6 -3.982 -0.059 3.883 46 HD13 ILE 6 2HD1 ILE 6 -3.763 0.850 5.397 47 H THR 7 H THR 7 -3.394 4.622 5.134 48 HA THR 7 HA THR 7 -2.847 6.437 2.890 49 HB THR 7 HB THR 7 -0.880 6.996 4.592 50 HG1 THR 7 1HG THR 7 -1.192 5.404 6.160 51 HG21 THR 7 3HG2 THR 7 -2.212 8.663 5.640 52 HG22 THR 7 1HG2 THR 7 -3.113 8.350 4.137 53 HG23 THR 7 2HG2 THR 7 -3.655 7.620 5.667 54 H PHE 8 H PHE 8 -0.540 6.441 2.082 55 HA PHE 8 HA PHE 8 0.735 3.848 2.279 56 HB2 PHE 8 1HB PHE 8 -0.140 5.166 -0.360 57 HB3 PHE 8 2HB PHE 8 0.700 3.635 -0.223 58 HD1 PHE 8 1HD PHE 8 -2.502 5.341 0.487 59 HD2 PHE 8 2HD PHE 8 -0.486 1.622 0.157 60 HE1 PHE 8 1HE PHE 8 -4.704 4.140 0.577 61 HE2 PHE 8 2HE PHE 8 -2.688 0.420 0.246 62 HZ PHE 8 HZ PHE 8 -4.771 1.694 0.455 63 H PHE 9 H PHE 9 2.960 3.990 2.066 64 HA PHE 9 HA PHE 9 4.296 6.254 2.474 65 HB2 PHE 9 1HB PHE 9 5.116 3.816 2.292 66 HB3 PHE 9 2HB PHE 9 5.115 3.996 0.549 67 HD1 PHE 9 2HD PHE 9 6.155 6.736 2.760 68 HD2 PHE 9 1HD PHE 9 7.464 3.512 0.330 69 HE1 PHE 9 2HE PHE 9 8.502 7.622 2.849 70 HE2 PHE 9 1HE PHE 9 9.811 4.398 0.420 71 HZ PHE 9 HZ PHE 9 10.302 6.442 1.678 72 H GLN 10 H GLN 10 5.620 7.722 1.158 73 HA GLN 10 HA GLN 10 4.222 8.952 -0.801 74 HB2 GLN 10 1HB GLN 10 6.192 9.883 0.441 75 HB3 GLN 10 2HB GLN 10 7.259 8.878 -0.518 76 HG2 GLN 10 1HG GLN 10 5.686 10.160 -2.456 77 HG3 GLN 10 2HG GLN 10 5.912 11.405 -1.243 78 HE21 GLN 10 2HE2 GLN 10 8.700 11.693 -3.631 79 HE22 GLN 10 1HE2 GLN 10 6.974 11.842 -3.629 80 H ARG 11 H ARG 11 6.915 6.550 -1.198 81 HA ARG 11 HA ARG 11 7.092 6.582 -3.883 82 HB2 ARG 11 1HB ARG 11 7.236 4.148 -2.033 83 HB3 ARG 11 2HB ARG 11 7.854 4.175 -3.672 84 HG2 ARG 11 1HG ARG 11 9.207 6.300 -2.862 85 HG3 ARG 11 2HG ARG 11 8.863 5.700 -1.252 86 HD2 ARG 11 1HD ARG 11 10.686 4.356 -1.491 87 HD3 ARG 11 2HD ARG 11 9.725 3.397 -2.598 88 HE ARG 11 HE ARG 11 10.909 4.314 -4.410 89 HH11 ARG 11 2HH2 ARG 11 11.580 6.212 -1.494 90 HH12 ARG 11 1HH2 ARG 11 12.849 7.130 -2.234 91 HH21 ARG 11 1HH ARG 11 13.421 6.710 -4.523 92 H PHE 12 H PHE 12 4.813 4.660 -1.820 93 HA PHE 12 HA PHE 12 3.610 3.262 -3.909 94 HB2 PHE 12 1HB PHE 12 2.996 4.121 -1.063 95 HB3 PHE 12 2HB PHE 12 1.661 3.471 -1.993 96 HD1 PHE 12 1HD PHE 12 5.159 2.661 -0.996 97 HD2 PHE 12 2HD PHE 12 1.330 1.175 -2.064 98 HE1 PHE 12 1HE PHE 12 5.910 0.330 -0.445 99 HE2 PHE 12 2HE PHE 12 2.081 -1.156 -1.513 100 HZ PHE 12 HZ PHE 12 4.362 -1.551 -0.710 101 H GLN 13 H GLN 13 3.034 6.518 -2.532 102 HA GLN 13 HA GLN 13 0.542 6.899 -3.694 103 HB2 GLN 13 1HB GLN 13 2.488 8.444 -2.199 104 HB3 GLN 13 2HB GLN 13 1.886 9.417 -3.526 105 HG2 GLN 13 1HG GLN 13 -0.280 7.923 -2.202 106 HG3 GLN 13 2HG GLN 13 0.584 8.947 -1.073 107 HE21 GLN 13 2HE2 GLN 13 -0.107 12.024 -2.859 108 HE22 GLN 13 1HE2 GLN 13 1.194 11.168 -2.100 109 H ASP 14 H ASP 14 3.889 7.727 -4.808 110 HA ASP 14 HA ASP 14 3.146 9.047 -7.092 111 HB2 ASP 14 1HB ASP 14 5.439 9.118 -6.346 112 HB3 ASP 14 2HB ASP 14 5.579 7.372 -6.367 113 HD2 ASP 14 HD ASP 14 7.172 7.122 -8.668 114 H ASP 15 H ASP 15 3.882 5.549 -6.455 115 HA ASP 15 HA ASP 15 3.709 4.661 -9.037 116 HB2 ASP 15 1HB ASP 15 3.587 3.522 -6.323 117 HB3 ASP 15 2HB ASP 15 2.598 2.610 -7.447 118 HD2 ASP 15 HD ASP 15 6.038 2.868 -6.597 119 H ILE 16 H ILE 16 1.217 5.405 -6.569 120 HA ILE 16 HA ILE 16 -0.932 4.139 -7.883 121 HB ILE 16 HB ILE 16 -0.678 6.218 -5.731 122 HG12 ILE 16 1HG1 ILE 16 -1.987 3.519 -5.509 123 HG13 ILE 16 2HG1 ILE 16 -0.240 3.646 -5.490 124 HG21 ILE 16 1HG2 ILE 16 -3.248 5.171 -6.948 125 HG22 ILE 16 2HG2 ILE 16 -3.131 6.057 -5.408 126 HG23 ILE 16 3HG2 ILE 16 -2.671 6.855 -6.932 127 HD11 ILE 16 3HD1 ILE 16 -1.995 5.351 -3.678 128 HD12 ILE 16 1HD1 ILE 16 -1.409 3.739 -3.203 129 HD13 ILE 16 2HD1 ILE 16 -0.247 5.046 -3.537 130 H LEU 17 H LEU 17 0.396 7.498 -7.904 131 HA LEU 17 HA LEU 17 -1.593 8.607 -9.497 132 HB2 LEU 17 1HB LEU 17 -0.422 10.424 -9.097 133 HB3 LEU 17 2HB LEU 17 0.740 9.431 -8.241 134 HG LEU 17 HG LEU 17 1.884 9.094 -10.523 135 HD11 LEU 17 1HD1 LEU 17 1.118 11.620 -11.606 136 HD12 LEU 17 2HD1 LEU 17 0.995 10.002 -12.337 137 HD13 LEU 17 3HD1 LEU 17 -0.350 10.642 -11.363 138 HD21 LEU 17 3HD2 LEU 17 2.112 11.089 -8.521 139 HD22 LEU 17 1HD2 LEU 17 3.368 10.469 -9.620 140 HD23 LEU 17 2HD2 LEU 17 2.389 11.879 -10.092 141 H ALA 18 H ALA 18 1.038 6.393 -10.231 142 HA ALA 18 HA ALA 18 1.096 6.994 -13.023 143 HB1 ALA 18 3HB ALA 18 2.137 4.639 -11.396 144 HB2 ALA 18 1HB ALA 18 2.524 4.959 -13.104 145 HB3 ALA 18 2HB ALA 18 3.051 6.100 -11.843 146 H GLY 19 H GLY 19 -1.259 5.665 -11.049 147 HA2 GLY 19 1HA GLY 19 -3.090 4.421 -11.428 148 HA3 GLY 19 2HA GLY 19 -2.890 4.805 -13.126 149 H ARG 20 H ARG 20 -0.540 3.010 -11.065 150 HA ARG 20 HA ARG 20 -0.826 0.820 -12.932 151 HB2 ARG 20 1HB ARG 20 1.353 1.782 -11.074 152 HB3 ARG 20 2HB ARG 20 1.320 0.075 -11.467 153 HG2 ARG 20 1HG ARG 20 1.448 0.559 -13.870 154 HG3 ARG 20 2HG ARG 20 1.264 2.277 -13.581 155 HD2 ARG 20 1HD ARG 20 3.455 2.536 -12.826 156 HD3 ARG 20 2HD ARG 20 3.532 0.921 -12.149 157 HE ARG 20 HE ARG 20 4.208 1.696 -14.884 158 HH11 ARG 20 2HH2 ARG 20 3.154 -1.006 -12.849 159 HH12 ARG 20 1HH2 ARG 20 3.765 -2.218 -13.925 160 HH21 ARG 20 1HH ARG 20 4.856 -1.546 -15.951 161 H LYS 21 H LYS 21 -2.504 -0.515 -12.219 162 HA LYS 21 HA LYS 21 -3.520 -0.850 -9.782 163 HB2 LYS 21 1HB LYS 21 -3.989 -3.258 -10.513 164 HB3 LYS 21 2HB LYS 21 -4.571 -1.966 -11.544 165 HG2 LYS 21 1HG LYS 21 -1.878 -2.581 -12.367 166 HG3 LYS 21 2HG LYS 21 -2.737 -4.100 -12.204 167 HD2 LYS 21 1HD LYS 21 -4.635 -3.049 -13.587 168 HD3 LYS 21 2HD LYS 21 -3.560 -1.701 -13.900 169 HE2 LYS 21 1HE LYS 21 -1.846 -3.513 -14.710 170 HE3 LYS 21 2HE LYS 21 -3.218 -4.602 -14.747 171 HZ1 LYS 21 2HZ LYS 21 -2.786 -3.386 -16.882 172 HZ3 LYS 21 1HZ LYS 21 -3.220 -1.992 -16.161 173 H THR 22 H THR 22 -2.442 -0.930 -7.872 174 HA THR 22 HA THR 22 -0.317 -2.962 -7.665 175 HB THR 22 HB THR 22 -0.545 -0.147 -6.490 176 HG1 THR 22 1HG THR 22 1.600 -0.178 -7.670 177 HG21 THR 22 3HG2 THR 22 1.440 -2.404 -5.904 178 HG22 THR 22 1HG2 THR 22 1.753 -0.692 -5.531 179 HG23 THR 22 2HG2 THR 22 0.421 -1.550 -4.720 180 H ILE 23 H ILE 23 -0.176 -4.160 -5.720 181 HA ILE 23 HA ILE 23 -2.757 -4.269 -4.356 182 HB ILE 23 HB ILE 23 -0.960 -6.395 -3.664 183 HG12 ILE 23 1HG1 ILE 23 -1.220 -5.792 -6.614 184 HG13 ILE 23 2HG1 ILE 23 0.242 -6.069 -5.689 185 HG21 ILE 23 1HG2 ILE 23 -3.259 -6.938 -5.433 186 HG22 ILE 23 2HG2 ILE 23 -2.835 -7.620 -3.845 187 HG23 ILE 23 3HG2 ILE 23 -3.637 -6.034 -3.947 188 HD11 ILE 23 3HD1 ILE 23 -0.633 -8.426 -5.192 189 HD12 ILE 23 1HD1 ILE 23 -1.913 -8.106 -6.387 190 HD13 ILE 23 2HD1 ILE 23 -0.206 -8.109 -6.891 191 H THR 24 H THR 24 -2.818 -4.484 -1.998 192 HA THR 24 HA THR 24 -0.448 -3.275 -0.731 193 HB THR 24 HB THR 24 -2.000 -1.952 0.637 194 HG1 THR 24 1HG THR 24 -3.718 -3.501 0.791 195 HG21 THR 24 3HG2 THR 24 -2.749 -1.979 -2.328 196 HG22 THR 24 1HG2 THR 24 -3.430 -0.805 -1.176 197 HG23 THR 24 2HG2 THR 24 -1.678 -0.827 -1.494 198 H ILE 25 H ILE 25 -0.670 -3.573 1.804 199 HA ILE 25 HA ILE 25 -1.647 -6.282 2.314 200 HB ILE 25 HB ILE 25 1.107 -5.265 3.021 201 HG12 ILE 25 1HG1 ILE 25 1.515 -7.494 1.536 202 HG13 ILE 25 2HG1 ILE 25 0.059 -6.893 0.770 203 HG21 ILE 25 1HG2 ILE 25 1.173 -7.917 3.528 204 HG22 ILE 25 2HG2 ILE 25 0.815 -6.677 4.754 205 HG23 ILE 25 3HG2 ILE 25 -0.515 -7.555 3.962 206 HD11 ILE 25 3HD1 ILE 25 1.173 -4.617 0.576 207 HD12 ILE 25 1HD1 ILE 25 2.671 -5.370 1.173 208 HD13 ILE 25 2HD1 ILE 25 1.961 -5.902 -0.370 209 H ARG 26 H ARG 26 -2.841 -6.399 4.151 210 HA ARG 26 HA ARG 26 -2.435 -4.232 6.050 211 HB2 ARG 26 1HB ARG 26 -5.173 -5.470 5.606 212 HB3 ARG 26 2HB ARG 26 -4.784 -3.915 6.315 213 HG2 ARG 26 1HG ARG 26 -4.156 -4.542 3.401 214 HG3 ARG 26 2HG ARG 26 -5.723 -3.926 3.890 215 HD2 ARG 26 1HD ARG 26 -4.870 -1.823 3.846 216 HD3 ARG 26 2HD ARG 26 -3.822 -2.246 5.186 217 HE ARG 26 HE ARG 26 -2.891 -3.058 2.491 218 HH11 ARG 26 2HH2 ARG 26 -2.661 -0.727 5.150 219 HH12 ARG 26 1HH2 ARG 26 -1.135 -0.095 4.628 220 HH21 ARG 26 1HH ARG 26 -0.105 -0.991 2.658 221 H ASP 27 H ASP 27 -3.664 -4.882 8.256 222 HA ASP 27 HA ASP 27 -2.802 -7.602 8.778 223 HB2 ASP 27 1HB ASP 27 -1.779 -5.979 10.247 224 HB3 ASP 27 2HB ASP 27 -3.306 -5.171 10.539 225 HD2 ASP 27 HD ASP 27 -1.845 -5.861 12.576 226 H GLU 28 H GLU 28 -4.354 -9.171 9.332 227 HA GLU 28 HA GLU 28 -7.001 -8.725 8.856 228 HB2 GLU 28 1HB GLU 28 -6.205 -10.969 8.809 229 HB3 GLU 28 2HB GLU 28 -5.522 -10.861 10.419 230 HG2 GLU 28 1HG GLU 28 -7.606 -12.176 10.477 231 HG3 GLU 28 2HG GLU 28 -7.805 -10.699 11.399 232 HE2 GLU 28 HE GLU 28 -10.376 -11.760 9.911 233 H SER 29 H SER 29 -5.144 -8.516 11.925 234 HA SER 29 HA SER 29 -7.330 -8.328 13.607 235 HB2 SER 29 1HB SER 29 -5.246 -8.738 14.643 236 HB3 SER 29 2HB SER 29 -4.441 -7.450 13.769 237 HG SER 29 HG SER 29 -4.844 -6.898 16.013 238 H GLU 30 H GLU 30 -6.135 -6.169 11.193 239 HA GLU 30 HA GLU 30 -7.645 -3.999 12.430 240 HB2 GLU 30 1HB GLU 30 -5.038 -4.011 10.929 241 HB3 GLU 30 2HB GLU 30 -6.091 -2.626 10.713 242 HG2 GLU 30 1HG GLU 30 -5.534 -3.620 13.518 243 HG3 GLU 30 2HG GLU 30 -4.309 -2.676 12.693 244 HE2 GLU 30 HE GLU 30 -7.286 -1.638 14.570 245 H SER 31 H SER 31 -8.136 -6.386 10.382 246 HA SER 31 HA SER 31 -8.525 -5.625 7.893 247 HB2 SER 31 1HB SER 31 -9.484 -7.669 7.985 248 HB3 SER 31 2HB SER 31 -9.781 -7.511 9.705 249 HG SER 31 HG SER 31 -11.687 -7.729 8.104 250 H HIS 32 H HIS 32 -9.502 -3.928 6.849 251 HA HIS 32 HA HIS 32 -11.644 -2.567 8.315 252 HB2 HIS 32 1HB HIS 32 -10.975 -0.520 7.203 253 HB3 HIS 32 2HB HIS 32 -9.625 -1.210 8.083 254 HD1 HIS 32 1HD HIS 32 -8.346 0.489 6.291 255 HD2 HIS 32 2HD HIS 32 -9.952 -3.084 4.790 256 HE1 HIS 32 1HE HIS 32 -7.199 0.075 4.049 257 H PHE 33 H PHE 33 -11.761 -1.040 5.502 258 HA PHE 33 HA PHE 33 -14.084 -2.100 4.610 259 HB2 PHE 33 1HB PHE 33 -11.811 -1.019 2.847 260 HB3 PHE 33 2HB PHE 33 -13.528 -0.853 2.538 261 HD1 PHE 33 1HD PHE 33 -14.900 0.602 4.096 262 HD2 PHE 33 2HD PHE 33 -10.657 0.579 4.137 263 HE1 PHE 33 1HE PHE 33 -14.899 2.814 5.282 264 HE2 PHE 33 2HE PHE 33 -10.656 2.791 5.323 265 HZ PHE 33 HZ PHE 33 -12.778 3.882 5.881 266 H LYS 34 H LYS 34 -14.319 -3.012 2.182 267 HA LYS 34 HA LYS 34 -12.420 -5.222 1.874 268 HB2 LYS 34 1HB LYS 34 -15.396 -5.364 2.223 269 HB3 LYS 34 2HB LYS 34 -14.615 -6.513 1.155 270 HG2 LYS 34 1HG LYS 34 -13.514 -7.590 2.879 271 HG3 LYS 34 2HG LYS 34 -13.257 -6.113 3.787 272 HD2 LYS 34 1HD LYS 34 -15.362 -6.207 4.820 273 HD3 LYS 34 2HD LYS 34 -16.089 -7.114 3.509 274 HE2 LYS 34 1HE LYS 34 -14.969 -9.165 4.188 275 HE3 LYS 34 2HE LYS 34 -13.942 -8.306 5.319 276 HZ1 LYS 34 2HZ LYS 34 -16.677 -7.792 5.898 277 HZ3 LYS 34 1HZ LYS 34 -15.548 -8.458 6.865 278 H THR 35 H THR 35 -13.517 -6.380 -0.411 279 HA THR 35 HA THR 35 -12.712 -4.482 -2.372 280 HB THR 35 HB THR 35 -14.043 -7.226 -2.673 281 HG1 THR 35 1HG THR 35 -12.104 -7.865 -1.824 282 HG21 THR 35 3HG2 THR 35 -13.125 -7.286 -4.831 283 HG22 THR 35 1HG2 THR 35 -13.492 -5.548 -4.714 284 HG23 THR 35 2HG2 THR 35 -11.836 -6.130 -4.421 285 H GLY 36 H GLY 36 -13.908 -3.550 -4.084 286 HA2 GLY 36 1HA GLY 36 -15.850 -2.951 -5.178 287 HA3 GLY 36 2HA GLY 36 -16.816 -3.699 -3.922 288 H ASP 37 H ASP 37 -14.779 -2.204 -1.953 289 HA ASP 37 HA ASP 37 -16.515 0.055 -1.702 290 HB2 ASP 37 1HB ASP 37 -14.622 -1.445 -0.020 291 HB3 ASP 37 2HB ASP 37 -14.411 0.284 0.173 292 HD2 ASP 37 HD ASP 37 -16.484 -1.658 2.271 293 H VAL 38 H VAL 38 -14.805 2.032 -0.632 294 HA VAL 38 HA VAL 38 -13.093 2.624 -2.942 295 HB VAL 38 HB VAL 38 -15.115 4.091 -1.529 296 HG11 VAL 38 1HG1 VAL 38 -13.809 6.257 -1.343 297 HG12 VAL 38 2HG1 VAL 38 -13.464 5.036 -0.095 298 HG13 VAL 38 3HG1 VAL 38 -12.327 5.277 -1.443 299 HG21 VAL 38 3HG2 VAL 38 -15.073 4.065 -3.905 300 HG22 VAL 38 1HG2 VAL 38 -14.659 5.727 -3.422 301 HG23 VAL 38 2HG2 VAL 38 -13.380 4.611 -3.957 302 H LEU 39 H LEU 39 -10.975 3.487 -2.576 303 HA LEU 39 HA LEU 39 -10.040 3.157 0.187 304 HB2 LEU 39 1HB LEU 39 -9.362 1.588 -2.084 305 HB3 LEU 39 2HB LEU 39 -7.960 2.558 -1.677 306 HG LEU 39 HG LEU 39 -7.606 1.497 0.317 307 HD11 LEU 39 1HD1 LEU 39 -10.584 1.230 0.437 308 HD12 LEU 39 2HD1 LEU 39 -9.575 0.137 1.414 309 HD13 LEU 39 3HD1 LEU 39 -9.443 1.899 1.628 310 HD21 LEU 39 3HD2 LEU 39 -7.208 -0.534 -0.475 311 HD22 LEU 39 1HD2 LEU 39 -8.932 -0.958 -0.343 312 HD23 LEU 39 2HD2 LEU 39 -8.313 -0.204 -1.831 313 H ARG 40 H ARG 40 -9.819 5.264 0.816 314 HA ARG 40 HA ARG 40 -8.974 7.205 -1.060 315 HB2 ARG 40 1HB ARG 40 -10.454 7.348 1.208 316 HB3 ARG 40 2HB ARG 40 -8.896 7.741 1.908 317 HG2 ARG 40 1HG ARG 40 -8.879 9.820 0.973 318 HG3 ARG 40 2HG ARG 40 -9.337 9.206 -0.603 319 HD2 ARG 40 1HD ARG 40 -11.738 8.938 0.416 320 HD3 ARG 40 2HD ARG 40 -11.162 9.971 1.708 321 HE ARG 40 HE ARG 40 -10.635 11.026 -0.985 322 HH11 ARG 40 2HH2 ARG 40 -12.930 10.931 1.712 323 HH12 ARG 40 1HH2 ARG 40 -13.723 12.401 1.251 324 HH21 ARG 40 1HH ARG 40 -12.972 13.579 -0.696 325 H VAL 41 H VAL 41 -6.874 7.865 -1.486 326 HA VAL 41 HA VAL 41 -4.802 6.804 0.303 327 HB VAL 41 HB VAL 41 -3.330 6.865 -1.606 328 HG11 VAL 41 1HG1 VAL 41 -5.978 5.540 -2.286 329 HG12 VAL 41 2HG1 VAL 41 -4.403 5.155 -3.021 330 HG13 VAL 41 3HG1 VAL 41 -4.676 4.847 -1.289 331 HG21 VAL 41 3HG2 VAL 41 -4.336 7.374 -3.898 332 HG22 VAL 41 1HG2 VAL 41 -5.675 8.153 -3.021 333 HG23 VAL 41 2HG2 VAL 41 -4.015 8.767 -2.837 334 H GLY 42 H GLY 42 -2.809 8.225 0.482 335 HA2 GLY 42 1HA GLY 42 -3.162 11.038 -0.048 336 HA3 GLY 42 2HA GLY 42 -3.320 10.616 1.645 337 H ARG 43 H ARG 43 -1.501 9.666 2.799 338 HA ARG 43 HA ARG 43 0.876 9.025 1.600 339 HB2 ARG 43 1HB ARG 43 0.584 11.747 1.384 340 HB3 ARG 43 2HB ARG 43 1.362 11.659 2.952 341 HG2 ARG 43 1HG ARG 43 3.169 10.210 1.924 342 HG3 ARG 43 2HG ARG 43 2.415 10.435 0.358 343 HD2 ARG 43 1HD ARG 43 3.337 12.764 2.106 344 HD3 ARG 43 2HD ARG 43 4.355 12.028 0.885 345 HE ARG 43 HE ARG 43 1.912 12.636 -0.397 346 HH11 ARG 43 2HH2 ARG 43 4.518 14.422 1.207 347 HH12 ARG 43 1HH2 ARG 43 4.284 15.856 0.263 348 HH21 ARG 43 1HH ARG 43 2.565 15.894 -1.406 349 H PHE 44 H PHE 44 1.967 7.825 3.151 350 HA PHE 44 HA PHE 44 0.922 7.683 5.756 351 HB2 PHE 44 1HB PHE 44 2.521 6.182 4.025 352 HB3 PHE 44 2HB PHE 44 3.724 6.759 5.161 353 HD1 PHE 44 2HD PHE 44 2.209 6.728 7.697 354 HD2 PHE 44 1HD PHE 44 2.276 3.924 4.512 355 HE1 PHE 44 2HE PHE 44 1.577 4.898 9.294 356 HE2 PHE 44 1HE PHE 44 1.644 2.094 6.109 357 HZ PHE 44 HZ PHE 44 1.301 2.603 8.481 358 H GLU 45 H GLU 45 3.421 9.659 4.252 359 HA GLU 45 HA GLU 45 5.076 10.120 6.358 360 HB2 GLU 45 1HB GLU 45 4.610 11.225 3.791 361 HB3 GLU 45 2HB GLU 45 4.539 12.589 4.889 362 HG2 GLU 45 1HG GLU 45 6.745 10.989 5.757 363 HG3 GLU 45 2HG GLU 45 6.864 11.073 4.010 364 HE2 GLU 45 HE GLU 45 8.642 12.579 5.784 365 H ASP 46 H ASP 46 1.984 11.815 5.512 366 HA ASP 46 HA ASP 46 1.079 12.083 8.021 367 HB2 ASP 46 1HB ASP 46 2.174 13.773 9.061 368 HB3 ASP 46 2HB ASP 46 3.347 13.740 7.759 369 HD2 ASP 46 HD ASP 46 2.476 16.579 6.328 370 H ASP 47 H ASP 47 1.643 13.486 4.802 371 HA ASP 47 HA ASP 47 -0.172 15.389 4.529 372 HB2 ASP 47 1HB ASP 47 1.226 13.643 2.812 373 HB3 ASP 47 2HB ASP 47 -0.449 13.433 2.342 374 HD2 ASP 47 HD ASP 47 1.490 16.767 1.416 375 H GLY 48 H GLY 48 -0.891 11.897 3.729 376 HA2 GLY 48 1HA GLY 48 -2.789 10.697 3.804 377 HA3 GLY 48 2HA GLY 48 -3.184 11.604 5.250 378 H TYR 49 H TYR 49 -5.204 10.734 3.482 379 HA TYR 49 HA TYR 49 -6.799 11.415 2.048 380 HB2 TYR 49 1HB TYR 49 -7.495 12.336 4.235 381 HB3 TYR 49 2HB TYR 49 -6.360 13.664 4.097 382 HD1 TYR 49 1HD TYR 49 -9.569 12.313 2.831 383 HD2 TYR 49 2HD TYR 49 -6.928 15.678 2.914 384 HE1 TYR 49 1HE TYR 49 -11.392 13.778 1.834 385 HE2 TYR 49 2HE TYR 49 -8.760 17.131 1.917 386 HH TYR 49 HH TYR 49 -11.177 17.153 1.806 387 H PHE 50 H PHE 50 -5.785 11.657 0.010 388 HA PHE 50 HA PHE 50 -5.387 14.458 -0.719 389 HB2 PHE 50 1HB PHE 50 -3.221 13.030 -0.216 390 HB3 PHE 50 2HB PHE 50 -3.637 12.116 -1.653 391 HD1 PHE 50 1HD PHE 50 -3.662 15.776 -0.885 392 HD2 PHE 50 2HD PHE 50 -2.197 12.658 -3.363 393 HE1 PHE 50 1HE PHE 50 -2.468 17.466 -2.305 394 HE2 PHE 50 2HE PHE 50 -1.002 14.348 -4.784 395 HZ PHE 50 HZ PHE 50 -1.152 16.732 -4.238 396 H CYS 51 H CYS 51 -5.560 11.031 -1.918 397 HA CYS 51 HA CYS 51 -7.311 12.044 -4.034 398 HB2 CYS 51 1HB CYS 51 -5.322 9.802 -4.467 399 HB3 CYS 51 2HB CYS 51 -6.311 10.611 -5.666 400 HG CYS 51 HG CYS 51 -5.269 13.006 -5.313 401 H THR 52 H THR 52 -8.341 9.802 -5.088 402 HA THR 52 HA THR 52 -8.997 7.989 -2.881 403 HB THR 52 HB THR 52 -11.184 9.038 -4.697 404 HG1 THR 52 1HG THR 52 -10.590 11.009 -3.845 405 HG21 THR 52 3HG2 THR 52 -10.968 8.090 -1.797 406 HG22 THR 52 1HG2 THR 52 -12.424 8.882 -2.446 407 HG23 THR 52 2HG2 THR 52 -11.885 7.324 -3.117 408 H ILE 53 H ILE 53 -9.584 5.880 -3.499 409 HA ILE 53 HA ILE 53 -9.526 5.312 -6.346 410 HB ILE 53 HB ILE 53 -7.649 4.077 -6.404 411 HG12 ILE 53 1HG1 ILE 53 -8.279 3.362 -3.558 412 HG13 ILE 53 2HG1 ILE 53 -8.088 2.320 -4.953 413 HG21 ILE 53 1HG2 ILE 53 -6.944 5.821 -4.030 414 HG22 ILE 53 2HG2 ILE 53 -5.829 5.145 -5.242 415 HG23 ILE 53 3HG2 ILE 53 -7.021 6.379 -5.719 416 HD11 ILE 53 3HD1 ILE 53 -6.111 2.015 -3.623 417 HD12 ILE 53 1HD1 ILE 53 -5.615 3.026 -5.002 418 HD13 ILE 53 2HD1 ILE 53 -5.900 3.769 -3.410 419 H GLU 54 H GLU 54 -9.919 2.786 -6.602 420 HA GLU 54 HA GLU 54 -11.803 2.038 -4.505 421 HB2 GLU 54 1HB GLU 54 -12.274 2.483 -7.354 422 HB3 GLU 54 2HB GLU 54 -12.687 0.837 -6.915 423 HG2 GLU 54 1HG GLU 54 -14.105 1.693 -5.037 424 HG3 GLU 54 2HG GLU 54 -13.693 3.339 -5.477 425 HE2 GLU 54 HE GLU 54 -16.451 2.364 -5.721 426 H VAL 55 H VAL 55 -12.094 -0.310 -4.202 427 HA VAL 55 HA VAL 55 -9.614 -1.682 -4.526 428 HB VAL 55 HB VAL 55 -12.052 -3.132 -3.678 429 HG11 VAL 55 1HG1 VAL 55 -9.163 -2.956 -2.958 430 HG12 VAL 55 2HG1 VAL 55 -10.300 -3.418 -1.668 431 HG13 VAL 55 3HG1 VAL 55 -10.212 -4.379 -3.163 432 HG21 VAL 55 3HG2 VAL 55 -12.815 -1.285 -2.568 433 HG22 VAL 55 1HG2 VAL 55 -11.646 -1.868 -1.359 434 HG23 VAL 55 2HG2 VAL 55 -11.202 -0.541 -2.460 435 H THR 56 H THR 56 -9.112 -3.415 -5.888 436 HA THR 56 HA THR 56 -11.073 -3.853 -8.041 437 HB THR 56 HB THR 56 -8.831 -2.701 -8.557 438 HG1 THR 56 1HG THR 56 -9.851 -3.780 -10.280 439 HG21 THR 56 3HG2 THR 56 -7.405 -4.166 -7.052 440 HG22 THR 56 1HG2 THR 56 -7.797 -5.548 -8.103 441 HG23 THR 56 2HG2 THR 56 -6.865 -4.176 -8.749 442 H ALA 57 H ALA 57 -8.629 -5.448 -5.917 443 HA ALA 57 HA ALA 57 -10.310 -7.787 -5.871 444 HB1 ALA 57 3HB ALA 57 -7.756 -8.850 -6.450 445 HB2 ALA 57 1HB ALA 57 -9.209 -8.910 -7.477 446 HB3 ALA 57 2HB ALA 57 -8.038 -7.584 -7.668 447 H THR 58 H THR 58 -9.234 -9.485 -4.344 448 HA THR 58 HA THR 58 -7.386 -8.256 -2.460 449 HB THR 58 HB THR 58 -10.273 -9.055 -1.869 450 HG1 THR 58 1HG THR 58 -8.419 -6.817 -1.532 451 HG21 THR 58 3HG2 THR 58 -9.501 -9.883 0.139 452 HG22 THR 58 1HG2 THR 58 -7.867 -9.231 -0.127 453 HG23 THR 58 2HG2 THR 58 -9.150 -8.181 0.523 454 H SER 59 H SER 59 -6.230 -9.747 -1.180 455 HA SER 59 HA SER 59 -6.871 -12.510 -1.464 456 HB2 SER 59 1HB SER 59 -4.124 -12.443 -2.215 457 HB3 SER 59 2HB SER 59 -5.481 -13.010 -3.169 458 HG SER 59 HG SER 59 -3.950 -10.805 -3.568 459 H THR 60 H THR 60 -5.021 -13.857 -0.277 460 HA THR 60 HA THR 60 -4.098 -12.220 1.994 461 HB THR 60 HB THR 60 -4.265 -14.714 3.033 462 HG1 THR 60 1HG THR 60 -6.350 -14.489 0.986 463 HG21 THR 60 3HG2 THR 60 -6.390 -14.153 3.950 464 HG22 THR 60 1HG2 THR 60 -5.698 -12.558 3.568 465 HG23 THR 60 2HG2 THR 60 -6.896 -13.292 2.476 466 H VAL 61 H VAL 61 -1.990 -11.787 1.790 467 HA VAL 61 HA VAL 61 -0.199 -14.020 1.541 468 HB VAL 61 HB VAL 61 0.509 -11.933 -0.388 469 HG11 VAL 61 1HG1 VAL 61 1.253 -14.533 0.165 470 HG12 VAL 61 2HG1 VAL 61 0.267 -14.712 -1.306 471 HG13 VAL 61 3HG1 VAL 61 1.673 -13.621 -1.305 472 HG21 VAL 61 3HG2 VAL 61 -1.961 -11.996 -0.707 473 HG22 VAL 61 1HG2 VAL 61 -1.052 -12.566 -2.127 474 HG23 VAL 61 2HG2 VAL 61 -1.841 -13.739 -1.046 475 H THR 62 H THR 62 2.194 -13.014 1.546 476 HA THR 62 HA THR 62 2.240 -11.325 3.864 477 HB THR 62 HB THR 62 4.578 -12.251 2.132 478 HG1 THR 62 1HG THR 62 2.616 -13.748 3.078 479 HG21 THR 62 3HG2 THR 62 5.813 -11.565 3.925 480 HG22 THR 62 1HG2 THR 62 4.333 -10.955 4.702 481 HG23 THR 62 2HG2 THR 62 4.860 -12.632 4.983 482 H LEU 63 H LEU 63 4.767 -9.961 3.063 483 HA LEU 63 HA LEU 63 3.452 -7.783 1.620 484 HB2 LEU 63 1HB LEU 63 5.399 -6.460 2.552 485 HB3 LEU 63 2HB LEU 63 4.167 -6.999 3.675 486 HG LEU 63 HG LEU 63 6.187 -9.012 3.602 487 HD11 LEU 63 1HD1 LEU 63 7.668 -7.282 2.662 488 HD12 LEU 63 2HD1 LEU 63 7.328 -6.243 4.067 489 HD13 LEU 63 3HD1 LEU 63 8.170 -7.795 4.291 490 HD21 LEU 63 3HD2 LEU 63 5.736 -9.002 5.779 491 HD22 LEU 63 1HD2 LEU 63 6.251 -7.307 5.951 492 HD23 LEU 63 2HD2 LEU 63 4.583 -7.685 5.457 493 H ASP 64 H ASP 64 6.886 -8.919 1.933 494 HA ASP 64 HA ASP 64 7.658 -7.993 -0.500 495 HB2 ASP 64 1HB ASP 64 8.876 -9.290 1.571 496 HB3 ASP 64 2HB ASP 64 8.826 -10.604 0.413 497 HD2 ASP 64 HD ASP 64 11.917 -9.430 -0.121 498 H THR 65 H THR 65 5.435 -10.500 0.229 499 HA THR 65 HA THR 65 6.033 -12.302 -1.894 500 HB THR 65 HB THR 65 3.525 -12.938 -1.248 501 HG1 THR 65 1HG THR 65 3.056 -10.975 -0.122 502 HG21 THR 65 3HG2 THR 65 5.819 -13.006 0.784 503 HG22 THR 65 1HG2 THR 65 4.308 -13.935 0.937 504 HG23 THR 65 2HG2 THR 65 5.431 -14.276 -0.402 505 H LEU 66 H LEU 66 4.986 -9.109 -1.948 506 HA LEU 66 HA LEU 66 4.449 -9.201 -4.686 507 HB2 LEU 66 1HB LEU 66 2.023 -8.493 -4.540 508 HB3 LEU 66 2HB LEU 66 2.388 -10.197 -4.355 509 HG LEU 66 HG LEU 66 2.407 -9.291 -1.739 510 HD11 LEU 66 1HD1 LEU 66 -0.110 -8.106 -2.831 511 HD12 LEU 66 2HD1 LEU 66 0.775 -7.743 -1.330 512 HD13 LEU 66 3HD1 LEU 66 1.385 -7.143 -2.891 513 HD21 LEU 66 3HD2 LEU 66 0.397 -10.720 -3.454 514 HD22 LEU 66 1HD2 LEU 66 1.433 -11.346 -2.149 515 HD23 LEU 66 2HD2 LEU 66 0.021 -10.336 -1.757 516 H THR 67 H THR 67 3.973 -7.598 -1.510 517 HA THR 67 HA THR 67 3.563 -5.023 -2.211 518 HB THR 67 HB THR 67 4.061 -6.319 0.093 519 HG1 THR 67 1HG THR 67 4.847 -3.547 -0.464 520 HG21 THR 67 3HG2 THR 67 6.419 -4.589 0.323 521 HG22 THR 67 1HG2 THR 67 6.233 -6.290 0.813 522 HG23 THR 67 2HG2 THR 67 6.705 -5.891 -0.856 523 H GLU 68 H GLU 68 4.908 -3.139 -2.546 524 HA GLU 68 HA GLU 68 6.559 -3.393 -4.664 525 HB2 GLU 68 1HB GLU 68 6.020 -1.300 -2.622 526 HB3 GLU 68 2HB GLU 68 7.551 -1.118 -3.454 527 HG2 GLU 68 1HG GLU 68 5.328 -1.807 -5.284 528 HG3 GLU 68 2HG GLU 68 5.058 -0.303 -4.425 529 HE2 GLU 68 HE GLU 68 6.867 0.770 -7.247 530 H LYS 69 H LYS 69 7.238 -4.088 -1.298 531 HA LYS 69 HA LYS 69 9.926 -3.648 -1.104 532 HB2 LYS 69 1HB LYS 69 8.357 -4.426 0.691 533 HB3 LYS 69 2HB LYS 69 8.423 -6.037 0.004 534 HG2 LYS 69 1HG LYS 69 11.064 -5.681 0.187 535 HG3 LYS 69 2HG LYS 69 10.619 -4.468 1.372 536 HD2 LYS 69 1HD LYS 69 9.437 -6.110 2.731 537 HD3 LYS 69 2HD LYS 69 9.566 -7.329 1.479 538 HE2 LYS 69 1HE LYS 69 12.030 -7.380 1.728 539 HE3 LYS 69 2HE LYS 69 11.966 -6.077 2.897 540 HZ1 LYS 69 2HZ LYS 69 10.999 -7.471 4.484 541 HZ3 LYS 69 1HZ LYS 69 12.017 -8.506 3.747 542 H HIS 70 H HIS 70 8.176 -6.067 -3.014 543 HA HIS 70 HA HIS 70 10.438 -7.715 -3.442 544 HB2 HIS 70 1HB HIS 70 8.255 -8.666 -3.627 545 HB3 HIS 70 2HB HIS 70 7.746 -7.462 -4.794 546 HD1 HIS 70 1HD HIS 70 8.603 -7.727 -7.269 547 HD2 HIS 70 2HD HIS 70 9.738 -10.822 -4.675 548 HE1 HIS 70 1HE HIS 70 9.451 -9.625 -8.748 549 H ALA 71 H ALA 71 8.690 -5.271 -5.489 550 HA ALA 71 HA ALA 71 10.442 -5.372 -7.632 551 HB1 ALA 71 3HB ALA 71 8.203 -4.312 -7.636 552 HB2 ALA 71 1HB ALA 71 8.815 -3.026 -6.568 553 HB3 ALA 71 2HB ALA 71 9.458 -3.193 -8.219 554 H GLU 72 H GLU 72 10.575 -3.569 -4.529 555 HA GLU 72 HA GLU 72 12.785 -2.017 -5.326 556 HB2 GLU 72 1HB GLU 72 10.979 -2.087 -3.152 557 HB3 GLU 72 2HB GLU 72 12.548 -2.387 -2.432 558 HG2 GLU 72 1HG GLU 72 13.417 -0.310 -3.100 559 HG3 GLU 72 2HG GLU 72 12.335 -0.173 -4.471 560 HE2 GLU 72 HE GLU 72 12.493 0.514 -1.035 561 H GLN 73 H GLN 73 12.343 -5.059 -3.431 562 HA GLN 73 HA GLN 73 14.859 -5.379 -2.503 563 HB2 GLN 73 1HB GLN 73 12.557 -7.098 -3.086 564 HB3 GLN 73 2HB GLN 73 14.063 -7.966 -3.302 565 HG2 GLN 73 1HG GLN 73 14.335 -6.403 -0.906 566 HG3 GLN 73 2HG GLN 73 12.769 -7.186 -0.830 567 HE21 GLN 73 2HE2 GLN 73 16.285 -9.281 -0.556 568 HE22 GLN 73 1HE2 GLN 73 16.211 -7.595 -0.945 569 H GLU 74 H GLU 74 13.616 -5.886 -5.818 570 HA GLU 74 HA GLU 74 16.229 -6.864 -6.602 571 HB2 GLU 74 1HB GLU 74 13.477 -7.207 -7.581 572 HB3 GLU 74 2HB GLU 74 14.584 -6.810 -8.880 573 HG2 GLU 74 1HG GLU 74 15.890 -8.732 -7.164 574 HG3 GLU 74 2HG GLU 74 14.276 -9.326 -7.503 575 HE2 GLU 74 HE GLU 74 15.020 -10.889 -9.443 576 H ASN 75 H ASN 75 15.725 -4.040 -5.768 577 HA ASN 75 HA ASN 75 16.766 -2.852 -8.180 578 HB2 ASN 75 1HB ASN 75 14.335 -2.315 -8.240 579 HB3 ASN 75 2HB ASN 75 14.404 -1.710 -6.597 580 HD21 ASN 75 2HD2 ASN 75 14.481 1.310 -8.580 581 HD22 ASN 75 1HD2 ASN 75 13.403 0.067 -8.041 582 H MET 76 H MET 76 15.536 -2.018 -4.841 583 HA MET 76 HA MET 76 17.890 -0.408 -4.432 584 HB2 MET 76 1HB MET 76 15.299 -0.910 -2.885 585 HB3 MET 76 2HB MET 76 16.609 0.010 -2.172 586 HG2 MET 76 1HG MET 76 15.106 1.609 -3.200 587 HG3 MET 76 2HG MET 76 16.545 1.554 -4.197 588 HE1 MET 76 3HE MET 76 14.384 2.697 -6.149 589 HE2 MET 76 1HE MET 76 12.849 1.801 -6.043 590 HE3 MET 76 2HE MET 76 13.581 2.489 -4.574 591 H THR 77 H THR 77 18.579 -0.568 -1.843 592 HA THR 77 HA THR 77 19.553 -3.309 -1.616 593 HB THR 77 HB THR 77 21.158 -1.396 -1.559 594 HG1 THR 77 1HG THR 77 22.159 -2.327 0.269 595 HG21 THR 77 3HG2 THR 77 19.707 0.339 -0.497 596 HG22 THR 77 1HG2 THR 77 19.620 -0.645 0.984 597 HG23 THR 77 2HG2 THR 77 21.172 0.064 0.476 598 H LEU 78 H LEU 78 19.986 -3.618 1.062 599 HA LEU 78 HA LEU 78 17.376 -4.328 1.916 600 HB2 LEU 78 1HB LEU 78 20.162 -4.677 2.843 601 HB3 LEU 78 2HB LEU 78 18.935 -4.704 4.094 602 HG LEU 78 HG LEU 78 17.843 -6.386 2.212 603 HD11 LEU 78 1HD1 LEU 78 20.656 -7.368 2.306 604 HD12 LEU 78 2HD1 LEU 78 19.379 -7.643 1.097 605 HD13 LEU 78 3HD1 LEU 78 20.256 -6.094 1.129 606 HD21 LEU 78 3HD2 LEU 78 17.669 -7.444 4.158 607 HD22 LEU 78 1HD2 LEU 78 19.317 -8.061 3.891 608 HD23 LEU 78 2HD2 LEU 78 19.066 -6.573 4.835 609 H THR 79 H THR 79 19.685 -1.684 2.633 610 HA THR 79 HA THR 79 18.425 -0.674 4.901 611 HB THR 79 HB THR 79 20.091 0.582 2.664 612 HG1 THR 79 1HG THR 79 21.435 -0.677 3.924 613 HG21 THR 79 3HG2 THR 79 19.834 1.747 5.447 614 HG22 THR 79 1HG2 THR 79 20.329 2.549 3.937 615 HG23 THR 79 2HG2 THR 79 18.611 2.184 4.229 616 H GLU 80 H GLU 80 17.992 0.351 1.445 617 HA GLU 80 HA GLU 80 16.017 2.167 1.975 618 HB2 GLU 80 1HB GLU 80 17.139 0.817 -0.356 619 HB3 GLU 80 2HB GLU 80 15.410 1.022 -0.551 620 HG2 GLU 80 1HG GLU 80 15.685 3.467 0.084 621 HG3 GLU 80 2HG GLU 80 17.421 3.224 0.111 622 HE2 GLU 80 HE GLU 80 17.906 1.805 -2.050 623 H LEU 81 H LEU 81 15.799 -1.376 1.314 624 HA LEU 81 HA LEU 81 13.037 -1.542 1.155 625 HB2 LEU 81 1HB LEU 81 15.213 -3.463 1.921 626 HB3 LEU 81 2HB LEU 81 13.529 -3.939 2.009 627 HG LEU 81 HG LEU 81 15.137 -4.229 -0.175 628 HD11 LEU 81 1HD1 LEU 81 13.014 -5.376 0.259 629 HD12 LEU 81 2HD1 LEU 81 12.123 -3.905 -0.199 630 HD13 LEU 81 3HD1 LEU 81 13.104 -4.765 -1.410 631 HD21 LEU 81 3HD2 LEU 81 13.441 -1.789 -0.762 632 HD22 LEU 81 1HD2 LEU 81 15.203 -1.770 -0.511 633 HD23 LEU 81 2HD2 LEU 81 14.510 -2.659 -1.889 634 H LYS 82 H LYS 82 15.260 -1.513 3.982 635 HA LYS 82 HA LYS 82 13.221 -2.088 5.855 636 HB2 LYS 82 1HB LYS 82 15.966 -2.032 5.881 637 HB3 LYS 82 2HB LYS 82 15.580 -0.590 6.797 638 HG2 LYS 82 1HG LYS 82 15.256 -1.962 8.582 639 HG3 LYS 82 2HG LYS 82 13.760 -2.451 7.812 640 HD2 LYS 82 1HD LYS 82 14.889 -4.326 6.684 641 HD3 LYS 82 2HD LYS 82 16.451 -3.790 7.270 642 HE2 LYS 82 1HE LYS 82 16.127 -4.698 9.352 643 HE3 LYS 82 2HE LYS 82 14.463 -4.156 9.439 644 HZ1 LYS 82 2HZ LYS 82 14.442 -6.527 9.298 645 HZ3 LYS 82 1HZ LYS 82 15.453 -6.566 8.022 646 H LYS 83 H LYS 83 14.363 0.823 4.196 647 HA LYS 83 HA LYS 83 13.243 2.664 6.023 648 HB2 LYS 83 1HB LYS 83 14.820 2.727 3.663 649 HB3 LYS 83 2HB LYS 83 13.403 3.707 3.345 650 HG2 LYS 83 1HG LYS 83 15.090 5.138 4.359 651 HG3 LYS 83 2HG LYS 83 13.794 4.927 5.519 652 HD2 LYS 83 1HD LYS 83 15.120 3.771 6.993 653 HD3 LYS 83 2HD LYS 83 15.905 2.851 5.724 654 HE2 LYS 83 1HE LYS 83 16.519 5.776 6.368 655 HE3 LYS 83 2HE LYS 83 17.471 4.417 6.933 656 HZ1 LYS 83 2HZ LYS 83 17.389 3.934 4.293 657 HZ3 LYS 83 1HZ LYS 83 18.584 4.784 5.001 658 H VAL 84 H VAL 84 12.118 1.338 2.836 659 HA VAL 84 HA VAL 84 9.637 2.651 2.952 660 HB VAL 84 HB VAL 84 9.070 1.326 1.070 661 HG11 VAL 84 1HG1 VAL 84 11.165 2.967 1.057 662 HG12 VAL 84 2HG1 VAL 84 12.029 1.466 0.648 663 HG13 VAL 84 3HG1 VAL 84 10.696 2.035 -0.385 664 HG21 VAL 84 3HG2 VAL 84 11.401 -0.514 1.697 665 HG22 VAL 84 1HG2 VAL 84 9.700 -0.874 2.079 666 HG23 VAL 84 2HG2 VAL 84 10.211 -0.685 0.384 667 H ILE 85 H ILE 85 10.809 -0.572 4.043 668 HA ILE 85 HA ILE 85 8.307 -1.623 4.676 669 HB ILE 85 HB ILE 85 11.131 -2.173 5.481 670 HG12 ILE 85 1HG1 ILE 85 9.855 -2.899 3.296 671 HG13 ILE 85 2HG1 ILE 85 10.970 -3.987 4.099 672 HG21 ILE 85 1HG2 ILE 85 10.280 -2.719 7.539 673 HG22 ILE 85 2HG2 ILE 85 8.672 -3.128 6.895 674 HG23 ILE 85 3HG2 ILE 85 10.034 -4.251 6.667 675 HD11 ILE 85 3HD1 ILE 85 8.200 -4.122 5.160 676 HD12 ILE 85 1HD1 ILE 85 8.362 -4.615 3.457 677 HD13 ILE 85 2HD1 ILE 85 9.314 -5.438 4.716 678 H ALA 86 H ALA 86 10.542 0.548 6.445 679 HA ALA 86 HA ALA 86 9.008 0.405 8.856 680 HB1 ALA 86 3HB ALA 86 11.173 0.934 9.377 681 HB2 ALA 86 1HB ALA 86 11.450 1.783 7.837 682 HB3 ALA 86 2HB ALA 86 10.572 2.595 9.156 683 H ASP 87 H ASP 87 8.919 2.194 5.833 684 HA ASP 87 HA ASP 87 7.444 4.357 6.944 685 HB2 ASP 87 1HB ASP 87 8.843 3.817 4.535 686 HB3 ASP 87 2HB ASP 87 7.170 3.992 4.044 687 HD2 ASP 87 HD ASP 87 9.408 6.936 5.425 688 H ILE 88 H ILE 88 6.873 1.182 5.470 689 HA ILE 88 HA ILE 88 4.085 1.746 4.945 690 HB ILE 88 HB ILE 88 5.761 0.290 3.576 691 HG12 ILE 88 1HG1 ILE 88 3.145 -1.091 3.879 692 HG13 ILE 88 2HG1 ILE 88 3.082 0.627 3.539 693 HG21 ILE 88 1HG2 ILE 88 6.486 -1.198 5.321 694 HG22 ILE 88 2HG2 ILE 88 4.808 -1.676 5.674 695 HG23 ILE 88 3HG2 ILE 88 5.554 -2.127 4.122 696 HD11 ILE 88 3HD1 ILE 88 3.332 0.009 1.358 697 HD12 ILE 88 1HD1 ILE 88 5.048 -0.217 1.773 698 HD13 ILE 88 2HD1 ILE 88 3.936 -1.607 1.796 699 H TYR 89 H TYR 89 5.995 -0.578 6.989 700 HA TYR 89 HA TYR 89 4.728 -0.124 9.345 701 HB2 TYR 89 1HB TYR 89 3.016 -2.037 9.289 702 HB3 TYR 89 2HB TYR 89 2.601 -0.717 8.213 703 HD1 TYR 89 2HD TYR 89 4.368 -4.022 8.214 704 HD2 TYR 89 1HD TYR 89 2.105 -1.166 5.973 705 HE1 TYR 89 2HE TYR 89 4.239 -5.645 6.262 706 HE2 TYR 89 1HE TYR 89 1.984 -2.799 4.028 707 HH TYR 89 HH TYR 89 3.550 -4.790 3.252 708 HA PRO 90 HA PRO 90 7.671 -3.178 10.245 709 HB2 PRO 90 2HB PRO 90 8.284 -2.105 12.188 710 HB3 PRO 90 1HB PRO 90 7.328 -3.360 12.950 711 HG2 PRO 90 1HG PRO 90 5.586 -1.912 13.379 712 HG3 PRO 90 2HG PRO 90 6.715 -0.626 13.007 713 HD2 PRO 90 1HD PRO 90 4.377 -1.343 11.508 714 HD3 PRO 90 2HD PRO 90 5.570 -0.134 11.075 715 H GLY 91 H GLY 91 8.043 -5.389 10.900 716 HA2 GLY 91 1HA GLY 91 7.185 -7.436 11.635 717 HA3 GLY 91 2HA GLY 91 5.549 -6.850 11.408 718 H GLN 92 H GLN 92 7.750 -9.000 10.196 719 HA GLN 92 HA GLN 92 6.713 -8.677 7.487 720 HB2 GLN 92 1HB GLN 92 9.319 -8.567 8.086 721 HB3 GLN 92 2HB GLN 92 9.179 -10.314 8.056 722 HG2 GLN 92 1HG GLN 92 7.808 -9.093 5.758 723 HG3 GLN 92 2HG GLN 92 9.491 -8.611 5.825 724 HE21 GLN 92 2HE2 GLN 92 10.165 -11.516 4.005 725 HE22 GLN 92 1HE2 GLN 92 10.032 -9.789 4.020 726 H THR 93 H THR 93 4.770 -9.880 8.020 727 HA THR 93 HA THR 93 5.206 -12.738 7.882 728 HB THR 93 HB THR 93 4.024 -13.244 9.930 729 HG1 THR 93 1HG THR 93 2.402 -11.626 9.875 730 HG21 THR 93 3HG2 THR 93 5.257 -12.056 11.701 731 HG22 THR 93 1HG2 THR 93 6.378 -12.390 10.359 732 HG23 THR 93 2HG2 THR 93 5.697 -10.758 10.565 733 H GLN 94 H GLN 94 3.329 -13.916 7.187 734 HA GLN 94 HA GLN 94 2.010 -12.884 5.163 735 HB2 GLN 94 1HB GLN 94 1.147 -14.954 7.197 736 HB3 GLN 94 2HB GLN 94 0.076 -14.537 5.874 737 HG2 GLN 94 1HG GLN 94 1.432 -15.515 4.276 738 HG3 GLN 94 2HG GLN 94 2.913 -15.052 5.090 739 HE21 GLN 94 2HE2 GLN 94 1.390 -18.758 5.453 740 HE22 GLN 94 1HE2 GLN 94 0.855 -17.548 4.334 741 H PHE 95 H PHE 95 -0.077 -11.898 4.732 742 HA PHE 95 HA PHE 95 -1.674 -11.002 6.917 743 HB2 PHE 95 1HB PHE 95 0.434 -9.324 5.578 744 HB3 PHE 95 2HB PHE 95 -1.134 -8.549 5.688 745 HD1 PHE 95 1HD PHE 95 -2.047 -9.666 8.321 746 HD2 PHE 95 2HD PHE 95 1.699 -8.084 7.108 747 HE1 PHE 95 1HE PHE 95 -1.555 -9.009 10.693 748 HE2 PHE 95 2HE PHE 95 2.190 -7.427 9.480 749 HZ PHE 95 HZ PHE 95 0.557 -7.898 11.244 750 H TYR 96 H TYR 96 -3.267 -9.137 5.867 751 HA TYR 96 HA TYR 96 -4.403 -10.503 3.580 752 HB2 TYR 96 1HB TYR 96 -5.165 -8.825 5.865 753 HB3 TYR 96 2HB TYR 96 -5.757 -8.065 4.401 754 HD1 TYR 96 1HD TYR 96 -5.631 -11.499 5.928 755 HD2 TYR 96 2HD TYR 96 -7.898 -8.624 3.714 756 HE1 TYR 96 1HE TYR 96 -7.626 -13.076 5.907 757 HE2 TYR 96 2HE TYR 96 -9.884 -10.210 3.701 758 HH TYR 96 HH TYR 96 -10.667 -12.115 4.333 759 H VAL 97 H VAL 97 -4.010 -9.906 1.512 760 HA VAL 97 HA VAL 97 -2.914 -7.226 1.090 761 HB VAL 97 HB VAL 97 -2.899 -9.741 -0.587 762 HG11 VAL 97 1HG1 VAL 97 -2.948 -7.276 -1.673 763 HG12 VAL 97 2HG1 VAL 97 -1.205 -7.410 -1.335 764 HG13 VAL 97 3HG1 VAL 97 -2.009 -8.624 -2.359 765 HG21 VAL 97 3HG2 VAL 97 -1.109 -8.632 1.436 766 HG22 VAL 97 1HG2 VAL 97 -1.131 -10.248 0.690 767 HG23 VAL 97 2HG2 VAL 97 -0.284 -8.907 -0.117 768 H ILE 98 H ILE 98 -4.014 -5.681 -0.062 769 HA ILE 98 HA ILE 98 -6.505 -6.566 -1.340 770 HB ILE 98 HB ILE 98 -6.237 -3.937 0.087 771 HG12 ILE 98 1HG1 ILE 98 -5.764 -5.479 1.829 772 HG13 ILE 98 2HG1 ILE 98 -7.445 -5.016 2.003 773 HG21 ILE 98 1HG2 ILE 98 -8.816 -5.366 -0.115 774 HG22 ILE 98 2HG2 ILE 98 -8.424 -3.646 -0.356 775 HG23 ILE 98 3HG2 ILE 98 -8.113 -4.821 -1.657 776 HD11 ILE 98 3HD1 ILE 98 -8.058 -7.188 1.872 777 HD12 ILE 98 1HD1 ILE 98 -7.365 -7.284 0.235 778 HD13 ILE 98 2HD1 ILE 98 -6.355 -7.655 1.653 779 H GLU 99 H GLU 99 -6.622 -6.044 -3.459 780 HA GLU 99 HA GLU 99 -4.581 -4.239 -4.431 781 HB2 GLU 99 1HB GLU 99 -5.272 -6.661 -5.363 782 HB3 GLU 99 2HB GLU 99 -6.449 -5.728 -6.266 783 HG2 GLU 99 1HG GLU 99 -4.655 -4.311 -7.215 784 HG3 GLU 99 2HG GLU 99 -3.453 -5.129 -6.237 785 HE2 GLU 99 HE GLU 99 -5.087 -5.226 -9.115 786 H PHE 100 H PHE 100 -5.130 -2.516 -5.993 787 HA PHE 100 HA PHE 100 -7.932 -1.779 -6.091 788 HB2 PHE 100 1HB PHE 100 -7.389 0.479 -5.178 789 HB3 PHE 100 2HB PHE 100 -6.926 -0.742 -4.009 790 HD1 PHE 100 1HD PHE 100 -5.474 1.214 -6.837 791 HD2 PHE 100 2HD PHE 100 -4.809 -0.652 -3.084 792 HE1 PHE 100 1HE PHE 100 -3.143 2.142 -6.789 793 HE2 PHE 100 2HE PHE 100 -2.477 0.277 -3.036 794 HZ PHE 100 HZ PHE 100 -1.672 1.662 -4.889 795 H LYS 101 H LYS 101 -8.365 -0.078 -7.708 796 HA LYS 101 HA LYS 101 -6.114 0.469 -9.482 797 HB2 LYS 101 1HB LYS 101 -7.221 -0.310 -11.430 798 HB3 LYS 101 2HB LYS 101 -7.282 -1.615 -10.263 799 HG2 LYS 101 1HG LYS 101 -9.580 -1.396 -9.913 800 HG3 LYS 101 2HG LYS 101 -9.583 0.323 -10.256 801 HD2 LYS 101 1HD LYS 101 -8.892 -0.516 -12.716 802 HD3 LYS 101 2HD LYS 101 -9.656 -1.999 -12.182 803 HE2 LYS 101 1HE LYS 101 -11.709 -0.644 -11.538 804 HE3 LYS 101 2HE LYS 101 -10.943 0.772 -12.230 805 HZ1 LYS 101 2HZ LYS 101 -10.727 -0.725 -14.322 806 HZ3 LYS 101 1HZ LYS 101 -12.185 -0.078 -13.993 807 H CYS 102 H CYS 102 -6.455 2.354 -10.844 808 HA CYS 102 HA CYS 102 -8.264 4.200 -9.542 809 HB2 CYS 102 1HB CYS 102 -6.118 5.125 -9.771 810 HB3 CYS 102 2HB CYS 102 -5.912 4.517 -11.402 811 HG CYS 102 HG CYS 102 -6.575 6.511 -12.475 812 H LEU 103 H LEU 103 -10.348 4.159 -10.334 813 HA LEU 103 HA LEU 103 -11.259 3.022 -12.585 814 HB2 LEU 103 1HB LEU 103 -13.119 4.732 -12.469 815 HB3 LEU 103 2HB LEU 103 -12.823 3.755 -11.044 816 HG LEU 103 HG LEU 103 -11.330 5.842 -10.340 817 HD11 LEU 103 1HD1 LEU 103 -11.630 7.773 -11.416 818 HD12 LEU 103 2HD1 LEU 103 -12.324 6.796 -12.733 819 HD13 LEU 103 3HD1 LEU 103 -13.393 7.545 -11.521 820 HD21 LEU 103 3HD2 LEU 103 -12.928 5.337 -8.805 821 HD22 LEU 103 1HD2 LEU 103 -13.642 6.833 -9.452 822 HD23 LEU 103 2HD2 LEU 103 -14.231 5.250 -10.014 Start of MODEL 14 1 H1 MET 1 1H MET 1 -13.148 11.548 13.205 2 HA MET 1 HA MET 1 -13.770 13.500 12.227 3 HB2 MET 1 1HB MET 1 -10.955 14.285 13.035 4 HB3 MET 1 2HB MET 1 -11.690 15.160 11.707 5 HG2 MET 1 1HG MET 1 -13.651 15.723 13.157 6 HG3 MET 1 2HG MET 1 -12.929 14.836 14.485 7 HE1 MET 1 3HE MET 1 -12.359 17.207 16.324 8 HE2 MET 1 1HE MET 1 -12.803 18.597 15.304 9 HE3 MET 1 2HE MET 1 -13.785 17.113 15.264 10 H GLN 2 H GLN 2 -14.176 12.200 10.396 11 HA GLN 2 HA GLN 2 -13.710 11.059 8.554 12 HB2 GLN 2 1HB GLN 2 -12.647 12.725 6.789 13 HB3 GLN 2 2HB GLN 2 -14.240 13.033 7.448 14 HG2 GLN 2 1HG GLN 2 -11.706 14.187 8.693 15 HG3 GLN 2 2HG GLN 2 -12.601 15.023 7.439 16 HE21 GLN 2 2HE2 GLN 2 -13.740 16.302 10.718 17 HE22 GLN 2 1HE2 GLN 2 -12.263 16.220 9.818 18 HA PRO 3 HA PRO 3 -9.386 10.011 9.374 19 HB2 PRO 3 2HB PRO 3 -9.718 8.562 11.133 20 HB3 PRO 3 1HB PRO 3 -9.758 7.349 9.869 21 HG2 PRO 3 1HG PRO 3 -12.049 7.133 10.009 22 HG3 PRO 3 2HG PRO 3 -11.923 8.009 11.522 23 HD2 PRO 3 1HD PRO 3 -13.199 8.912 9.117 24 HD3 PRO 3 2HD PRO 3 -12.972 9.831 10.591 25 H ASN 4 H ASN 4 -7.981 8.107 8.405 26 HA ASN 4 HA ASN 4 -8.746 8.208 5.623 27 HB2 ASN 4 1HB ASN 4 -6.476 8.793 5.774 28 HB3 ASN 4 2HB ASN 4 -6.192 7.762 7.163 29 HD21 ASN 4 2HD2 ASN 4 -5.307 4.880 5.398 30 HD22 ASN 4 1HD2 ASN 4 -5.736 5.604 6.912 31 H ASP 5 H ASP 5 -8.399 6.115 4.306 32 HA ASP 5 HA ASP 5 -9.460 3.922 5.846 33 HB2 ASP 5 1HB ASP 5 -8.951 4.065 2.842 34 HB3 ASP 5 2HB ASP 5 -9.984 2.921 3.676 35 HD2 ASP 5 HD ASP 5 -12.453 4.952 2.503 36 H ILE 6 H ILE 6 -6.883 4.591 3.349 37 HA ILE 6 HA ILE 6 -5.118 2.761 4.743 38 HB ILE 6 HB ILE 6 -6.260 1.286 3.228 39 HG12 ILE 6 1HG1 ILE 6 -3.520 1.899 2.089 40 HG13 ILE 6 2HG1 ILE 6 -3.775 1.089 3.623 41 HG21 ILE 6 1HG2 ILE 6 -6.238 1.604 0.804 42 HG22 ILE 6 2HG2 ILE 6 -7.091 2.934 1.624 43 HG23 ILE 6 3HG2 ILE 6 -5.439 3.181 1.009 44 HD11 ILE 6 3HD1 ILE 6 -3.710 -0.797 2.309 45 HD12 ILE 6 1HD1 ILE 6 -5.428 -0.411 2.052 46 HD13 ILE 6 2HD1 ILE 6 -4.215 0.082 0.846 47 H THR 7 H THR 7 -2.931 3.301 4.493 48 HA THR 7 HA THR 7 -2.499 5.797 2.991 49 HB THR 7 HB THR 7 -0.468 5.809 4.719 50 HG1 THR 7 1HG THR 7 -0.801 3.749 5.645 51 HG21 THR 7 3HG2 THR 7 -2.666 6.200 6.510 52 HG22 THR 7 1HG2 THR 7 -1.769 7.455 5.623 53 HG23 THR 7 2HG2 THR 7 -3.228 6.730 4.907 54 H PHE 8 H PHE 8 -0.182 6.077 2.198 55 HA PHE 8 HA PHE 8 1.178 3.625 1.589 56 HB2 PHE 8 1HB PHE 8 0.037 5.427 -0.626 57 HB3 PHE 8 2HB PHE 8 0.900 3.921 -0.869 58 HD1 PHE 8 2HD PHE 8 -0.218 1.812 0.273 59 HD2 PHE 8 1HD PHE 8 -2.272 5.397 -0.694 60 HE1 PHE 8 2HE PHE 8 -2.395 0.564 0.272 61 HE2 PHE 8 1HE PHE 8 -4.450 4.149 -0.695 62 HZ PHE 8 HZ PHE 8 -4.485 1.747 -0.212 63 H PHE 9 H PHE 9 3.329 4.070 1.667 64 HA PHE 9 HA PHE 9 4.441 6.401 2.278 65 HB2 PHE 9 1HB PHE 9 5.487 4.068 1.932 66 HB3 PHE 9 2HB PHE 9 5.516 4.390 0.210 67 HD1 PHE 9 2HD PHE 9 6.283 6.894 2.817 68 HD2 PHE 9 1HD PHE 9 7.860 4.266 -0.118 69 HE1 PHE 9 2HE PHE 9 8.534 7.977 3.057 70 HE2 PHE 9 1HE PHE 9 10.111 5.350 0.122 71 HZ PHE 9 HZ PHE 9 10.421 7.192 1.707 72 H GLN 10 H GLN 10 5.765 8.013 1.066 73 HA GLN 10 HA GLN 10 4.288 9.324 -0.792 74 HB2 GLN 10 1HB GLN 10 6.464 10.541 -1.325 75 HB3 GLN 10 2HB GLN 10 6.031 10.487 0.372 76 HG2 GLN 10 1HG GLN 10 8.189 9.747 0.635 77 HG3 GLN 10 2HG GLN 10 7.498 8.190 0.224 78 HE21 GLN 10 2HE2 GLN 10 10.517 8.858 -1.875 79 HE22 GLN 10 1HE2 GLN 10 10.158 8.818 -0.181 80 H ARG 11 H ARG 11 7.137 7.143 -1.363 81 HA ARG 11 HA ARG 11 7.205 7.399 -4.071 82 HB2 ARG 11 1HB ARG 11 7.778 4.877 -2.433 83 HB3 ARG 11 2HB ARG 11 8.371 5.183 -4.054 84 HG2 ARG 11 1HG ARG 11 9.334 7.418 -2.960 85 HG3 ARG 11 2HG ARG 11 9.165 6.525 -1.461 86 HD2 ARG 11 1HD ARG 11 11.025 5.295 -1.907 87 HD3 ARG 11 2HD ARG 11 10.390 4.803 -3.464 88 HE ARG 11 HE ARG 11 12.209 7.065 -2.942 89 HH11 ARG 11 2HH2 ARG 11 10.040 5.512 -5.274 90 HH12 ARG 11 1HH2 ARG 11 10.751 6.296 -6.645 91 HH21 ARG 11 1HH ARG 11 12.577 7.813 -6.314 92 H PHE 12 H PHE 12 5.351 5.055 -2.017 93 HA PHE 12 HA PHE 12 4.248 3.604 -4.125 94 HB2 PHE 12 1HB PHE 12 4.331 3.476 -1.389 95 HB3 PHE 12 2HB PHE 12 2.739 4.190 -1.555 96 HD1 PHE 12 1HD PHE 12 1.489 2.891 -3.751 97 HD2 PHE 12 2HD PHE 12 4.170 1.234 -0.910 98 HE1 PHE 12 1HE PHE 12 0.510 0.615 -4.154 99 HE2 PHE 12 2HE PHE 12 3.191 -1.042 -1.313 100 HZ PHE 12 HZ PHE 12 1.372 -1.324 -2.930 101 H GLN 13 H GLN 13 3.270 6.656 -2.518 102 HA GLN 13 HA GLN 13 0.694 6.718 -3.553 103 HB2 GLN 13 1HB GLN 13 2.452 8.448 -2.028 104 HB3 GLN 13 2HB GLN 13 1.650 9.398 -3.262 105 HG2 GLN 13 1HG GLN 13 -0.216 7.520 -1.986 106 HG3 GLN 13 2HG GLN 13 0.550 8.557 -0.799 107 HE21 GLN 13 2HE2 GLN 13 -0.541 11.623 -2.553 108 HE22 GLN 13 1HE2 GLN 13 0.948 10.886 -2.063 109 H ASP 14 H ASP 14 3.825 8.097 -4.738 110 HA ASP 14 HA ASP 14 2.797 9.447 -6.887 111 HB2 ASP 14 1HB ASP 14 5.095 9.780 -6.243 112 HB3 ASP 14 2HB ASP 14 5.465 8.073 -6.388 113 HD2 ASP 14 HD ASP 14 6.120 10.476 -9.349 114 H ASP 15 H ASP 15 4.015 6.044 -6.538 115 HA ASP 15 HA ASP 15 3.862 5.297 -9.153 116 HB2 ASP 15 1HB ASP 15 4.292 4.061 -6.650 117 HB3 ASP 15 2HB ASP 15 2.923 3.194 -7.317 118 HD2 ASP 15 HD ASP 15 4.002 1.289 -7.967 119 H ILE 16 H ILE 16 1.362 5.376 -6.544 120 HA ILE 16 HA ILE 16 -0.650 4.068 -8.005 121 HB ILE 16 HB ILE 16 -0.644 5.891 -5.610 122 HG12 ILE 16 1HG1 ILE 16 -1.396 2.974 -5.712 123 HG13 ILE 16 2HG1 ILE 16 0.285 3.464 -5.628 124 HG21 ILE 16 1HG2 ILE 16 -2.763 6.299 -6.635 125 HG22 ILE 16 2HG2 ILE 16 -3.014 4.564 -6.948 126 HG23 ILE 16 3HG2 ILE 16 -3.023 5.178 -5.277 127 HD11 ILE 16 3HD1 ILE 16 -0.059 4.635 -3.537 128 HD12 ILE 16 1HD1 ILE 16 -1.827 4.482 -3.678 129 HD13 ILE 16 2HD1 ILE 16 -0.829 3.039 -3.374 130 H LEU 17 H LEU 17 0.283 7.530 -7.613 131 HA LEU 17 HA LEU 17 -1.885 8.605 -8.977 132 HB2 LEU 17 1HB LEU 17 -0.891 10.465 -8.359 133 HB3 LEU 17 2HB LEU 17 0.433 9.508 -7.725 134 HG LEU 17 HG LEU 17 1.332 9.623 -10.196 135 HD11 LEU 17 1HD1 LEU 17 -0.005 12.292 -10.246 136 HD12 LEU 17 2HD1 LEU 17 0.593 11.279 -11.582 137 HD13 LEU 17 3HD1 LEU 17 -0.936 10.868 -10.767 138 HD21 LEU 17 3HD2 LEU 17 2.899 10.899 -9.270 139 HD22 LEU 17 1HD2 LEU 17 1.773 12.263 -9.073 140 HD23 LEU 17 2HD2 LEU 17 1.860 10.994 -7.827 141 H ALA 18 H ALA 18 0.922 6.804 -10.089 142 HA ALA 18 HA ALA 18 0.763 7.752 -12.783 143 HB1 ALA 18 3HB ALA 18 2.078 5.173 -11.940 144 HB2 ALA 18 1HB ALA 18 2.605 6.369 -13.148 145 HB3 ALA 18 2HB ALA 18 2.765 6.727 -11.412 146 H GLY 19 H GLY 19 -1.354 5.983 -10.930 147 HA2 GLY 19 1HA GLY 19 -3.078 4.625 -11.408 148 HA3 GLY 19 2HA GLY 19 -2.913 5.126 -13.080 149 H ARG 20 H ARG 20 -1.230 3.004 -10.649 150 HA ARG 20 HA ARG 20 -1.058 1.036 -12.781 151 HB2 ARG 20 1HB ARG 20 1.130 2.346 -11.415 152 HB3 ARG 20 2HB ARG 20 1.131 0.663 -10.926 153 HG2 ARG 20 1HG ARG 20 2.465 0.699 -12.898 154 HG3 ARG 20 2HG ARG 20 0.919 0.076 -13.437 155 HD2 ARG 20 1HD ARG 20 0.469 2.753 -13.791 156 HD3 ARG 20 2HD ARG 20 2.207 2.721 -14.017 157 HE ARG 20 HE ARG 20 0.852 0.604 -15.506 158 HH11 ARG 20 2HH2 ARG 20 1.794 4.018 -15.598 159 HH12 ARG 20 1HH2 ARG 20 1.772 4.106 -17.327 160 HH21 ARG 20 1HH ARG 20 1.197 2.155 -18.594 161 H LYS 21 H LYS 21 -2.740 -0.299 -12.015 162 HA LYS 21 HA LYS 21 -3.614 -0.761 -9.555 163 HB2 LYS 21 1HB LYS 21 -4.630 -1.794 -11.464 164 HB3 LYS 21 2HB LYS 21 -3.203 -2.755 -11.795 165 HG2 LYS 21 1HG LYS 21 -3.639 -3.570 -9.247 166 HG3 LYS 21 2HG LYS 21 -5.282 -3.114 -9.651 167 HD2 LYS 21 1HD LYS 21 -3.770 -4.785 -11.653 168 HD3 LYS 21 2HD LYS 21 -4.310 -5.574 -10.184 169 HE2 LYS 21 1HE LYS 21 -6.332 -5.822 -11.195 170 HE3 LYS 21 2HE LYS 21 -6.564 -4.101 -10.961 171 HZ1 LYS 21 2HZ LYS 21 -5.630 -3.692 -13.140 172 HZ3 LYS 21 1HZ LYS 21 -6.796 -4.815 -13.314 173 H THR 22 H THR 22 -2.409 -0.846 -7.717 174 HA THR 22 HA THR 22 -0.221 -2.822 -7.690 175 HB THR 22 HB THR 22 -0.523 -0.163 -6.195 176 HG1 THR 22 1HG THR 22 0.400 0.444 -8.113 177 HG21 THR 22 3HG2 THR 22 1.690 -2.277 -6.265 178 HG22 THR 22 1HG2 THR 22 1.953 -0.605 -5.714 179 HG23 THR 22 2HG2 THR 22 0.835 -1.669 -4.827 180 H ILE 23 H ILE 23 0.117 -4.012 -5.714 181 HA ILE 23 HA ILE 23 -2.439 -4.473 -4.388 182 HB ILE 23 HB ILE 23 -0.143 -6.232 -3.830 183 HG12 ILE 23 1HG1 ILE 23 -0.798 -7.351 -6.176 184 HG13 ILE 23 2HG1 ILE 23 -1.053 -5.674 -6.617 185 HG21 ILE 23 1HG2 ILE 23 -1.752 -7.895 -3.759 186 HG22 ILE 23 2HG2 ILE 23 -2.654 -6.466 -3.202 187 HG23 ILE 23 3HG2 ILE 23 -2.842 -7.040 -4.876 188 HD11 ILE 23 3HD1 ILE 23 1.178 -5.383 -6.829 189 HD12 ILE 23 1HD1 ILE 23 1.399 -5.804 -5.114 190 HD13 ILE 23 2HD1 ILE 23 1.440 -7.079 -6.356 191 H THR 24 H THR 24 -2.401 -4.881 -1.990 192 HA THR 24 HA THR 24 -0.224 -3.520 -0.608 193 HB THR 24 HB THR 24 -1.733 -1.938 0.461 194 HG1 THR 24 1HG THR 24 -3.634 -3.154 0.705 195 HG21 THR 24 3HG2 THR 24 -1.214 -1.669 -2.184 196 HG22 THR 24 1HG2 THR 24 -2.974 -1.913 -2.287 197 HG23 THR 24 2HG2 THR 24 -2.318 -0.559 -1.336 198 H ILE 25 H ILE 25 -0.726 -3.637 1.894 199 HA ILE 25 HA ILE 25 -2.019 -6.204 2.441 200 HB ILE 25 HB ILE 25 0.723 -5.404 3.422 201 HG12 ILE 25 1HG1 ILE 25 1.164 -7.675 2.073 202 HG13 ILE 25 2HG1 ILE 25 -0.200 -7.092 1.140 203 HG21 ILE 25 1HG2 ILE 25 0.788 -7.657 4.395 204 HG22 ILE 25 2HG2 ILE 25 -0.517 -6.667 5.092 205 HG23 ILE 25 3HG2 ILE 25 -0.898 -7.922 3.888 206 HD11 ILE 25 3HD1 ILE 25 2.355 -5.527 1.730 207 HD12 ILE 25 1HD1 ILE 25 1.902 -6.255 0.170 208 HD13 ILE 25 2HD1 ILE 25 0.959 -4.895 0.825 209 H ARG 26 H ARG 26 -3.088 -6.311 4.431 210 HA ARG 26 HA ARG 26 -2.828 -3.942 6.080 211 HB2 ARG 26 1HB ARG 26 -5.588 -4.907 6.072 212 HB3 ARG 26 2HB ARG 26 -4.991 -3.289 5.758 213 HG2 ARG 26 1HG ARG 26 -4.863 -5.512 3.674 214 HG3 ARG 26 2HG ARG 26 -6.244 -4.444 3.823 215 HD2 ARG 26 1HD ARG 26 -3.685 -3.936 2.535 216 HD3 ARG 26 2HD ARG 26 -5.147 -2.972 2.482 217 HE ARG 26 HE ARG 26 -2.860 -2.597 4.306 218 HH11 ARG 26 2HH2 ARG 26 -6.230 -1.760 3.602 219 HH12 ARG 26 1HH2 ARG 26 -6.200 -0.314 4.556 220 HH21 ARG 26 1HH ARG 26 -4.184 0.296 5.700 221 H ASP 27 H ASP 27 -4.182 -4.377 8.264 222 HA ASP 27 HA ASP 27 -3.375 -7.036 9.080 223 HB2 ASP 27 1HB ASP 27 -2.464 -5.398 10.539 224 HB3 ASP 27 2HB ASP 27 -3.918 -4.421 10.507 225 HD2 ASP 27 HD ASP 27 -3.747 -7.791 11.137 226 H GLU 28 H GLU 28 -4.965 -8.581 9.550 227 HA GLU 28 HA GLU 28 -7.566 -8.203 8.874 228 HB2 GLU 28 1HB GLU 28 -6.867 -10.439 9.046 229 HB3 GLU 28 2HB GLU 28 -6.131 -10.204 10.619 230 HG2 GLU 28 1HG GLU 28 -8.212 -11.504 10.851 231 HG3 GLU 28 2HG GLU 28 -8.381 -9.956 11.657 232 HE2 GLU 28 HE GLU 28 -10.651 -9.017 10.829 233 H SER 29 H SER 29 -5.988 -7.843 12.098 234 HA SER 29 HA SER 29 -8.324 -7.484 13.531 235 HB2 SER 29 1HB SER 29 -6.632 -7.739 15.036 236 HB3 SER 29 2HB SER 29 -5.430 -7.091 13.938 237 HG SER 29 HG SER 29 -5.611 -5.145 14.837 238 H GLU 30 H GLU 30 -6.872 -5.534 11.107 239 HA GLU 30 HA GLU 30 -8.388 -3.238 12.080 240 HB2 GLU 30 1HB GLU 30 -5.648 -3.416 10.847 241 HB3 GLU 30 2HB GLU 30 -6.623 -2.010 10.467 242 HG2 GLU 30 1HG GLU 30 -6.853 -1.430 12.824 243 HG3 GLU 30 2HG GLU 30 -6.151 -2.954 13.329 244 HE2 GLU 30 HE GLU 30 -3.173 -2.602 12.759 245 H SER 31 H SER 31 -8.854 -5.703 10.177 246 HA SER 31 HA SER 31 -8.930 -5.137 7.609 247 HB2 SER 31 1HB SER 31 -10.157 -7.029 7.646 248 HB3 SER 31 2HB SER 31 -10.382 -6.842 9.374 249 HG SER 31 HG SER 31 -12.129 -6.177 7.235 250 H HIS 32 H HIS 32 -9.241 -3.061 6.796 251 HA HIS 32 HA HIS 32 -11.353 -1.434 7.838 252 HB2 HIS 32 1HB HIS 32 -10.509 0.263 6.350 253 HB3 HIS 32 2HB HIS 32 -9.176 -0.491 7.201 254 HD1 HIS 32 1HD HIS 32 -9.779 -3.002 4.870 255 HD2 HIS 32 2HD HIS 32 -8.290 0.900 4.483 256 HE1 HIS 32 1HE HIS 32 -8.478 -2.948 2.676 257 H PHE 33 H PHE 33 -11.519 -0.436 4.796 258 HA PHE 33 HA PHE 33 -14.047 -1.364 4.306 259 HB2 PHE 33 1HB PHE 33 -11.731 -0.165 2.777 260 HB3 PHE 33 2HB PHE 33 -13.010 -0.847 1.792 261 HD1 PHE 33 2HD PHE 33 -15.331 0.061 1.991 262 HD2 PHE 33 1HD PHE 33 -12.023 1.909 3.903 263 HE1 PHE 33 2HE PHE 33 -16.665 2.170 2.260 264 HE2 PHE 33 1HE PHE 33 -13.357 4.018 4.172 265 HZ PHE 33 HZ PHE 33 -15.662 4.124 3.348 266 H LYS 34 H LYS 34 -14.242 -2.368 1.725 267 HA LYS 34 HA LYS 34 -12.733 -4.872 1.788 268 HB2 LYS 34 1HB LYS 34 -15.748 -4.608 1.665 269 HB3 LYS 34 2HB LYS 34 -14.890 -6.059 1.186 270 HG2 LYS 34 1HG LYS 34 -14.338 -4.815 3.896 271 HG3 LYS 34 2HG LYS 34 -15.763 -5.810 3.672 272 HD2 LYS 34 1HD LYS 34 -14.256 -7.647 2.757 273 HD3 LYS 34 2HD LYS 34 -12.871 -6.657 3.173 274 HE2 LYS 34 1HE LYS 34 -13.212 -8.195 5.010 275 HE3 LYS 34 2HE LYS 34 -13.702 -6.610 5.577 276 HZ1 LYS 34 2HZ LYS 34 -15.283 -8.925 5.409 277 HZ3 LYS 34 1HZ LYS 34 -15.944 -7.821 4.410 278 H THR 35 H THR 35 -13.846 -6.081 -0.456 279 HA THR 35 HA THR 35 -12.697 -4.462 -2.515 280 HB THR 35 HB THR 35 -14.243 -7.094 -2.730 281 HG1 THR 35 1HG THR 35 -12.587 -7.680 -1.366 282 HG21 THR 35 3HG2 THR 35 -12.488 -7.515 -4.506 283 HG22 THR 35 1HG2 THR 35 -13.568 -6.160 -4.916 284 HG23 THR 35 2HG2 THR 35 -11.930 -5.837 -4.298 285 H GLY 36 H GLY 36 -13.843 -4.107 -4.644 286 HA2 GLY 36 1HA GLY 36 -15.489 -3.115 -5.807 287 HA3 GLY 36 2HA GLY 36 -16.636 -3.988 -4.810 288 H ASP 37 H ASP 37 -14.388 -2.050 -2.993 289 HA ASP 37 HA ASP 37 -16.468 -0.022 -2.737 290 HB2 ASP 37 1HB ASP 37 -15.043 -1.627 -0.770 291 HB3 ASP 37 2HB ASP 37 -14.680 0.065 -0.499 292 HD2 ASP 37 HD ASP 37 -17.774 -1.944 0.290 293 H VAL 38 H VAL 38 -15.035 1.936 -1.324 294 HA VAL 38 HA VAL 38 -12.928 2.612 -3.246 295 HB VAL 38 HB VAL 38 -15.102 4.055 -1.946 296 HG11 VAL 38 1HG1 VAL 38 -13.560 5.067 -0.493 297 HG12 VAL 38 2HG1 VAL 38 -12.287 5.129 -1.735 298 HG13 VAL 38 3HG1 VAL 38 -13.694 6.213 -1.848 299 HG21 VAL 38 3HG2 VAL 38 -14.890 5.499 -3.869 300 HG22 VAL 38 1HG2 VAL 38 -13.281 4.837 -4.245 301 HG23 VAL 38 2HG2 VAL 38 -14.726 3.809 -4.404 302 H LEU 39 H LEU 39 -10.913 3.492 -2.470 303 HA LEU 39 HA LEU 39 -10.446 3.011 0.383 304 HB2 LEU 39 1HB LEU 39 -8.962 1.906 -1.974 305 HB3 LEU 39 2HB LEU 39 -8.106 2.237 -0.481 306 HG LEU 39 HG LEU 39 -10.589 0.524 -0.514 307 HD11 LEU 39 1HD1 LEU 39 -9.101 -0.477 -2.141 308 HD12 LEU 39 2HD1 LEU 39 -7.741 -0.391 -0.996 309 HD13 LEU 39 3HD1 LEU 39 -9.124 -1.459 -0.657 310 HD21 LEU 39 3HD2 LEU 39 -9.659 1.469 1.637 311 HD22 LEU 39 1HD2 LEU 39 -9.826 -0.301 1.571 312 HD23 LEU 39 2HD2 LEU 39 -8.225 0.449 1.369 313 H ARG 40 H ARG 40 -9.954 4.934 1.281 314 HA ARG 40 HA ARG 40 -9.201 7.101 -0.300 315 HB2 ARG 40 1HB ARG 40 -10.276 6.856 2.180 316 HB3 ARG 40 2HB ARG 40 -8.607 7.093 2.657 317 HG2 ARG 40 1HG ARG 40 -9.038 9.323 2.459 318 HG3 ARG 40 2HG ARG 40 -8.908 9.065 0.730 319 HD2 ARG 40 1HD ARG 40 -11.015 10.209 1.149 320 HD3 ARG 40 2HD ARG 40 -11.392 8.569 0.658 321 HE ARG 40 HE ARG 40 -11.183 8.498 3.470 322 HH11 ARG 40 2HH2 ARG 40 -13.222 10.127 1.073 323 HH12 ARG 40 1HH2 ARG 40 -14.594 10.227 2.126 324 HH21 ARG 40 1HH ARG 40 -14.436 9.341 4.347 325 H VAL 41 H VAL 41 -7.188 7.517 -1.154 326 HA VAL 41 HA VAL 41 -4.906 6.167 0.067 327 HB VAL 41 HB VAL 41 -5.102 5.719 -2.228 328 HG11 VAL 41 1HG1 VAL 41 -5.643 8.678 -2.561 329 HG12 VAL 41 2HG1 VAL 41 -5.193 7.628 -3.927 330 HG13 VAL 41 3HG1 VAL 41 -6.680 7.301 -3.004 331 HG21 VAL 41 3HG2 VAL 41 -2.901 7.219 -1.224 332 HG22 VAL 41 1HG2 VAL 41 -2.914 6.013 -2.532 333 HG23 VAL 41 2HG2 VAL 41 -3.177 7.733 -2.905 334 H GLY 42 H GLY 42 -3.154 7.275 0.942 335 HA2 GLY 42 1HA GLY 42 -3.094 10.185 0.743 336 HA3 GLY 42 2HA GLY 42 -3.380 9.513 2.336 337 H ARG 43 H ARG 43 -1.209 10.810 2.574 338 HA ARG 43 HA ARG 43 0.959 9.000 1.867 339 HB2 ARG 43 1HB ARG 43 0.704 11.736 1.323 340 HB3 ARG 43 2HB ARG 43 1.719 11.730 2.751 341 HG2 ARG 43 1HG ARG 43 3.231 10.043 1.611 342 HG3 ARG 43 2HG ARG 43 2.250 10.191 0.166 343 HD2 ARG 43 1HD ARG 43 3.441 12.670 1.457 344 HD3 ARG 43 2HD ARG 43 4.419 11.673 0.400 345 HE ARG 43 HE ARG 43 1.876 12.251 -0.847 346 HH11 ARG 43 2HH2 ARG 43 5.005 13.735 -0.096 347 HH12 ARG 43 1HH2 ARG 43 4.923 14.866 -1.406 348 HH21 ARG 43 1HH ARG 43 3.010 14.852 -2.850 349 H PHE 44 H PHE 44 2.175 8.115 3.551 350 HA PHE 44 HA PHE 44 1.193 8.418 6.182 351 HB2 PHE 44 1HB PHE 44 2.715 6.615 4.661 352 HB3 PHE 44 2HB PHE 44 3.944 7.321 5.692 353 HD1 PHE 44 2HD PHE 44 2.997 7.558 8.272 354 HD2 PHE 44 1HD PHE 44 1.862 4.626 5.423 355 HE1 PHE 44 2HE PHE 44 2.325 6.012 10.132 356 HE2 PHE 44 1HE PHE 44 1.190 3.079 7.282 357 HZ PHE 44 HZ PHE 44 1.430 3.791 9.614 358 H GLU 45 H GLU 45 3.740 9.975 4.282 359 HA GLU 45 HA GLU 45 5.463 10.753 6.218 360 HB2 GLU 45 1HB GLU 45 4.798 11.542 3.516 361 HB3 GLU 45 2HB GLU 45 5.100 12.988 4.458 362 HG2 GLU 45 1HG GLU 45 7.104 11.065 5.203 363 HG3 GLU 45 2HG GLU 45 7.012 11.057 3.453 364 HE2 GLU 45 HE GLU 45 6.593 14.365 3.504 365 H ASP 46 H ASP 46 2.365 12.342 5.221 366 HA ASP 46 HA ASP 46 1.653 13.112 7.710 367 HB2 ASP 46 1HB ASP 46 2.145 15.736 7.183 368 HB3 ASP 46 2HB ASP 46 3.195 14.746 8.177 369 HD2 ASP 46 HD ASP 46 5.648 14.303 6.311 370 H ASP 47 H ASP 47 1.971 14.014 4.246 371 HA ASP 47 HA ASP 47 -0.001 15.707 3.805 372 HB2 ASP 47 1HB ASP 47 1.450 13.840 2.276 373 HB3 ASP 47 2HB ASP 47 -0.220 13.423 1.948 374 HD2 ASP 47 HD ASP 47 1.838 14.634 0.357 375 H GLY 48 H GLY 48 -0.368 12.083 3.999 376 HA2 GLY 48 1HA GLY 48 -2.093 10.800 4.672 377 HA3 GLY 48 2HA GLY 48 -2.853 12.221 5.361 378 H TYR 49 H TYR 49 -4.970 11.834 4.621 379 HA TYR 49 HA TYR 49 -5.888 10.848 2.340 380 HB2 TYR 49 1HB TYR 49 -7.443 11.719 3.958 381 HB3 TYR 49 2HB TYR 49 -6.592 13.246 4.081 382 HD1 TYR 49 1HD TYR 49 -8.959 11.282 2.021 383 HD2 TYR 49 2HD TYR 49 -7.123 15.097 2.635 384 HE1 TYR 49 1HE TYR 49 -10.631 12.351 0.432 385 HE2 TYR 49 2HE TYR 49 -8.801 16.153 1.043 386 HH TYR 49 HH TYR 49 -10.880 14.228 -0.920 387 H PHE 50 H PHE 50 -5.025 11.073 0.315 388 HA PHE 50 HA PHE 50 -4.518 13.821 -0.578 389 HB2 PHE 50 1HB PHE 50 -2.794 11.726 -0.474 390 HB3 PHE 50 2HB PHE 50 -3.597 11.267 -1.962 391 HD1 PHE 50 2HD PHE 50 -1.885 14.183 -0.391 392 HD2 PHE 50 1HD PHE 50 -2.820 12.113 -3.976 393 HE1 PHE 50 2HE PHE 50 -0.391 15.736 -1.678 394 HE2 PHE 50 1HE PHE 50 -1.326 13.666 -5.262 395 HZ PHE 50 HZ PHE 50 -0.129 15.459 -4.098 396 H CYS 51 H CYS 51 -5.671 10.573 -1.745 397 HA CYS 51 HA CYS 51 -7.755 11.943 -3.204 398 HB2 CYS 51 1HB CYS 51 -5.894 10.054 -4.676 399 HB3 CYS 51 2HB CYS 51 -7.258 10.930 -5.341 400 HG CYS 51 HG CYS 51 -6.353 13.234 -5.319 401 H THR 52 H THR 52 -8.861 9.799 -4.555 402 HA THR 52 HA THR 52 -9.066 7.686 -2.514 403 HB THR 52 HB THR 52 -11.369 8.862 -4.150 404 HG1 THR 52 1HG THR 52 -11.761 9.934 -2.030 405 HG21 THR 52 3HG2 THR 52 -11.089 6.606 -2.320 406 HG22 THR 52 1HG2 THR 52 -12.136 7.846 -1.589 407 HG23 THR 52 2HG2 THR 52 -12.545 7.160 -3.180 408 H ILE 53 H ILE 53 -9.570 5.569 -3.276 409 HA ILE 53 HA ILE 53 -9.377 5.248 -6.170 410 HB ILE 53 HB ILE 53 -7.594 3.768 -6.108 411 HG12 ILE 53 1HG1 ILE 53 -6.556 3.078 -3.846 412 HG13 ILE 53 2HG1 ILE 53 -8.075 3.585 -3.134 413 HG21 ILE 53 1HG2 ILE 53 -6.535 5.569 -3.982 414 HG22 ILE 53 2HG2 ILE 53 -5.859 5.139 -5.571 415 HG23 ILE 53 3HG2 ILE 53 -7.189 6.317 -5.459 416 HD11 ILE 53 3HD1 ILE 53 -9.250 1.820 -4.030 417 HD12 ILE 53 1HD1 ILE 53 -8.316 1.835 -5.545 418 HD13 ILE 53 2HD1 ILE 53 -7.636 1.070 -4.088 419 H GLU 54 H GLU 54 -9.775 2.780 -6.692 420 HA GLU 54 HA GLU 54 -11.847 1.890 -4.839 421 HB2 GLU 54 1HB GLU 54 -12.010 2.527 -7.671 422 HB3 GLU 54 2HB GLU 54 -12.399 0.835 -7.430 423 HG2 GLU 54 1HG GLU 54 -13.933 1.670 -5.477 424 HG3 GLU 54 2HG GLU 54 -13.748 3.261 -6.187 425 HE2 GLU 54 HE GLU 54 -14.638 0.024 -7.067 426 H VAL 55 H VAL 55 -11.988 -0.376 -4.427 427 HA VAL 55 HA VAL 55 -9.516 -1.757 -4.808 428 HB VAL 55 HB VAL 55 -11.905 -3.187 -3.811 429 HG11 VAL 55 1HG1 VAL 55 -10.263 -4.427 -2.953 430 HG12 VAL 55 2HG1 VAL 55 -9.048 -3.259 -3.526 431 HG13 VAL 55 3HG1 VAL 55 -9.789 -3.057 -1.920 432 HG21 VAL 55 3HG2 VAL 55 -11.015 -0.558 -2.694 433 HG22 VAL 55 1HG2 VAL 55 -12.638 -1.287 -2.757 434 HG23 VAL 55 2HG2 VAL 55 -11.454 -1.854 -1.555 435 H THR 56 H THR 56 -9.408 -3.991 -5.746 436 HA THR 56 HA THR 56 -11.405 -4.425 -7.848 437 HB THR 56 HB THR 56 -9.352 -3.111 -8.689 438 HG1 THR 56 1HG THR 56 -10.615 -4.420 -10.131 439 HG21 THR 56 3HG2 THR 56 -7.589 -4.328 -7.388 440 HG22 THR 56 1HG2 THR 56 -8.049 -5.843 -8.202 441 HG23 THR 56 2HG2 THR 56 -7.334 -4.509 -9.140 442 H ALA 57 H ALA 57 -8.593 -5.689 -5.975 443 HA ALA 57 HA ALA 57 -10.004 -8.243 -5.882 444 HB1 ALA 57 3HB ALA 57 -7.721 -7.726 -7.515 445 HB2 ALA 57 1HB ALA 57 -7.177 -8.725 -6.146 446 HB3 ALA 57 2HB ALA 57 -8.507 -9.289 -7.187 447 H THR 58 H THR 58 -8.868 -9.713 -4.181 448 HA THR 58 HA THR 58 -7.240 -8.439 -2.233 449 HB THR 58 HB THR 58 -10.256 -8.586 -1.837 450 HG1 THR 58 1HG THR 58 -9.771 -6.430 -1.917 451 HG21 THR 58 3HG2 THR 58 -8.033 -8.607 0.258 452 HG22 THR 58 1HG2 THR 58 -9.638 -7.914 0.592 453 HG23 THR 58 2HG2 THR 58 -9.480 -9.642 0.195 454 H SER 59 H SER 59 -6.118 -9.951 -1.137 455 HA SER 59 HA SER 59 -7.321 -12.479 -0.631 456 HB2 SER 59 1HB SER 59 -4.879 -13.241 -1.873 457 HB3 SER 59 2HB SER 59 -6.508 -13.618 -2.400 458 HG SER 59 HG SER 59 -6.512 -11.897 -3.811 459 H THR 60 H THR 60 -5.547 -13.973 0.487 460 HA THR 60 HA THR 60 -4.137 -12.239 2.354 461 HB THR 60 HB THR 60 -3.819 -14.762 3.311 462 HG1 THR 60 1HG THR 60 -5.621 -16.004 2.481 463 HG21 THR 60 3HG2 THR 60 -6.554 -14.382 3.821 464 HG22 THR 60 1HG2 THR 60 -5.223 -13.741 4.813 465 HG23 THR 60 2HG2 THR 60 -5.954 -12.728 3.545 466 H VAL 61 H VAL 61 -2.119 -11.614 1.945 467 HA VAL 61 HA VAL 61 -0.196 -13.610 1.202 468 HB VAL 61 HB VAL 61 -0.002 -11.331 -0.620 469 HG11 VAL 61 1HG1 VAL 61 0.897 -13.995 -0.433 470 HG12 VAL 61 2HG1 VAL 61 -0.164 -13.939 -1.862 471 HG13 VAL 61 3HG1 VAL 61 1.220 -12.827 -1.737 472 HG21 VAL 61 3HG2 VAL 61 -1.780 -11.979 -2.138 473 HG22 VAL 61 1HG2 VAL 61 -2.290 -13.283 -1.039 474 HG23 VAL 61 2HG2 VAL 61 -2.475 -11.582 -0.548 475 H THR 62 H THR 62 2.069 -12.526 1.104 476 HA THR 62 HA THR 62 2.213 -10.770 3.395 477 HB THR 62 HB THR 62 4.620 -11.606 1.788 478 HG1 THR 62 1HG THR 62 4.249 -13.793 2.662 479 HG21 THR 62 3HG2 THR 62 5.642 -11.659 3.862 480 HG22 THR 62 1HG2 THR 62 4.270 -10.637 4.352 481 HG23 THR 62 2HG2 THR 62 4.220 -12.392 4.643 482 H LEU 63 H LEU 63 4.610 -9.361 2.693 483 HA LEU 63 HA LEU 63 3.351 -7.305 1.064 484 HB2 LEU 63 1HB LEU 63 5.350 -5.971 1.909 485 HB3 LEU 63 2HB LEU 63 4.090 -6.400 3.049 486 HG LEU 63 HG LEU 63 6.100 -8.456 3.076 487 HD11 LEU 63 1HD1 LEU 63 7.912 -6.922 4.091 488 HD12 LEU 63 2HD1 LEU 63 7.788 -7.046 2.320 489 HD13 LEU 63 3HD1 LEU 63 7.122 -5.626 3.160 490 HD21 LEU 63 3HD2 LEU 63 5.243 -8.452 5.124 491 HD22 LEU 63 1HD2 LEU 63 6.221 -7.005 5.465 492 HD23 LEU 63 2HD2 LEU 63 4.544 -6.831 4.897 493 H ASP 64 H ASP 64 6.789 -8.416 1.399 494 HA ASP 64 HA ASP 64 7.595 -7.615 -1.036 495 HB2 ASP 64 1HB ASP 64 8.793 -8.880 1.008 496 HB3 ASP 64 2HB ASP 64 8.563 -10.287 -0.010 497 HD2 ASP 64 HD ASP 64 10.812 -9.301 -2.410 498 H THR 65 H THR 65 5.266 -10.038 -0.280 499 HA THR 65 HA THR 65 5.764 -11.763 -2.523 500 HB THR 65 HB THR 65 3.487 -12.677 -1.710 501 HG1 THR 65 1HG THR 65 2.531 -11.057 -0.518 502 HG21 THR 65 3HG2 THR 65 4.380 -13.287 0.637 503 HG22 THR 65 1HG2 THR 65 5.424 -13.756 -0.726 504 HG23 THR 65 2HG2 THR 65 5.814 -12.311 0.237 505 H LEU 66 H LEU 66 4.877 -8.610 -2.459 506 HA LEU 66 HA LEU 66 3.907 -8.658 -5.072 507 HB2 LEU 66 1HB LEU 66 1.586 -7.647 -4.321 508 HB3 LEU 66 2HB LEU 66 1.817 -9.354 -4.642 509 HG LEU 66 HG LEU 66 2.382 -9.332 -2.001 510 HD11 LEU 66 1HD1 LEU 66 1.898 -6.832 -1.980 511 HD12 LEU 66 2HD1 LEU 66 0.187 -7.268 -2.202 512 HD13 LEU 66 3HD1 LEU 66 1.067 -7.826 -0.759 513 HD21 LEU 66 3HD2 LEU 66 -0.256 -9.736 -1.817 514 HD22 LEU 66 1HD2 LEU 66 -0.091 -9.797 -3.588 515 HD23 LEU 66 2HD2 LEU 66 0.853 -10.909 -2.567 516 H THR 67 H THR 67 3.796 -6.961 -1.882 517 HA THR 67 HA THR 67 3.613 -4.376 -2.727 518 HB THR 67 HB THR 67 4.980 -5.811 -0.432 519 HG1 THR 67 1HG THR 67 3.265 -4.257 0.524 520 HG21 THR 67 3HG2 THR 67 6.362 -3.986 -0.131 521 HG22 THR 67 1HG2 THR 67 5.462 -3.001 -1.308 522 HG23 THR 67 2HG2 THR 67 4.865 -3.158 0.361 523 H GLU 68 H GLU 68 5.056 -2.689 -3.274 524 HA GLU 68 HA GLU 68 6.777 -3.221 -5.243 525 HB2 GLU 68 1HB GLU 68 6.403 -0.959 -3.340 526 HB3 GLU 68 2HB GLU 68 7.946 -0.975 -4.169 527 HG2 GLU 68 1HG GLU 68 7.002 -0.586 -6.247 528 HG3 GLU 68 2HG GLU 68 5.565 -1.526 -5.894 529 HE2 GLU 68 HE GLU 68 3.821 0.257 -6.032 530 H LYS 69 H LYS 69 7.275 -3.790 -1.830 531 HA LYS 69 HA LYS 69 9.955 -3.565 -1.491 532 HB2 LYS 69 1HB LYS 69 8.558 -4.155 0.339 533 HB3 LYS 69 2HB LYS 69 7.983 -5.608 -0.454 534 HG2 LYS 69 1HG LYS 69 9.657 -6.764 0.544 535 HG3 LYS 69 2HG LYS 69 10.810 -5.866 -0.423 536 HD2 LYS 69 1HD LYS 69 11.117 -4.199 1.284 537 HD3 LYS 69 2HD LYS 69 9.680 -4.703 2.151 538 HE2 LYS 69 1HE LYS 69 12.220 -6.372 1.821 539 HE3 LYS 69 2HE LYS 69 11.759 -5.505 3.273 540 HZ1 LYS 69 2HZ LYS 69 10.276 -7.112 3.809 541 HZ3 LYS 69 1HZ LYS 69 11.059 -8.060 2.741 542 H HIS 70 H HIS 70 8.165 -5.939 -3.445 543 HA HIS 70 HA HIS 70 10.294 -7.740 -3.745 544 HB2 HIS 70 1HB HIS 70 8.295 -8.700 -4.288 545 HB3 HIS 70 2HB HIS 70 7.656 -7.246 -5.029 546 HD1 HIS 70 1HD HIS 70 10.242 -9.967 -5.800 547 HD2 HIS 70 2HD HIS 70 7.702 -7.273 -7.770 548 HE1 HIS 70 1HE HIS 70 10.420 -10.506 -8.288 549 H ALA 71 H ALA 71 9.032 -5.090 -5.889 550 HA ALA 71 HA ALA 71 11.006 -5.355 -7.832 551 HB1 ALA 71 3HB ALA 71 9.217 -3.081 -6.923 552 HB2 ALA 71 1HB ALA 71 10.335 -2.912 -8.297 553 HB3 ALA 71 2HB ALA 71 9.038 -4.130 -8.350 554 H GLU 72 H GLU 72 10.817 -3.250 -4.886 555 HA GLU 72 HA GLU 72 13.213 -1.960 -5.340 556 HB2 GLU 72 1HB GLU 72 11.192 -1.856 -3.437 557 HB3 GLU 72 2HB GLU 72 12.549 -2.438 -2.493 558 HG2 GLU 72 1HG GLU 72 13.823 -0.499 -2.855 559 HG3 GLU 72 2HG GLU 72 13.030 -0.129 -4.374 560 HE2 GLU 72 HE GLU 72 11.690 2.147 -3.456 561 H GLN 73 H GLN 73 12.436 -5.002 -3.556 562 HA GLN 73 HA GLN 73 14.851 -5.448 -2.407 563 HB2 GLN 73 1HB GLN 73 12.536 -7.084 -3.246 564 HB3 GLN 73 2HB GLN 73 14.031 -7.997 -3.181 565 HG2 GLN 73 1HG GLN 73 14.119 -6.438 -0.843 566 HG3 GLN 73 2HG GLN 73 12.427 -6.875 -0.974 567 HE21 GLN 73 2HE2 GLN 73 14.084 -9.514 0.987 568 HE22 GLN 73 1HE2 GLN 73 13.754 -7.819 1.114 569 H GLU 74 H GLU 74 13.825 -5.984 -5.802 570 HA GLU 74 HA GLU 74 16.468 -7.035 -6.369 571 HB2 GLU 74 1HB GLU 74 13.792 -7.437 -7.477 572 HB3 GLU 74 2HB GLU 74 14.929 -7.021 -8.744 573 HG2 GLU 74 1HG GLU 74 16.441 -8.819 -7.328 574 HG3 GLU 74 2HG GLU 74 14.839 -9.445 -6.991 575 HE2 GLU 74 HE GLU 74 13.499 -9.629 -8.983 576 H ASN 75 H ASN 75 15.970 -4.181 -5.675 577 HA ASN 75 HA ASN 75 17.151 -3.097 -8.075 578 HB2 ASN 75 1HB ASN 75 14.485 -2.630 -7.662 579 HB3 ASN 75 2HB ASN 75 15.145 -1.333 -6.685 580 HD21 ASN 75 2HD2 ASN 75 14.585 -0.088 -10.141 581 HD22 ASN 75 1HD2 ASN 75 13.632 -0.798 -8.881 582 H MET 76 H MET 76 15.801 -2.116 -4.823 583 HA MET 76 HA MET 76 18.178 -0.555 -4.365 584 HB2 MET 76 1HB MET 76 15.719 -0.989 -2.582 585 HB3 MET 76 2HB MET 76 16.905 0.289 -2.404 586 HG2 MET 76 1HG MET 76 15.083 -0.074 -4.834 587 HG3 MET 76 2HG MET 76 14.811 1.078 -3.543 588 HE1 MET 76 3HE MET 76 16.419 1.819 -7.271 589 HE2 MET 76 1HE MET 76 14.927 1.269 -6.470 590 HE3 MET 76 2HE MET 76 15.372 2.992 -6.438 591 H THR 77 H THR 77 18.833 -0.640 -1.798 592 HA THR 77 HA THR 77 19.683 -3.400 -1.418 593 HB THR 77 HB THR 77 21.446 -1.750 -1.318 594 HG1 THR 77 1HG THR 77 22.004 -2.797 0.548 595 HG21 THR 77 3HG2 THR 77 20.792 0.407 -0.833 596 HG22 THR 77 1HG2 THR 77 19.361 -0.144 0.071 597 HG23 THR 77 2HG2 THR 77 20.952 -0.098 0.867 598 H LEU 78 H LEU 78 19.911 -3.951 1.104 599 HA LEU 78 HA LEU 78 17.282 -4.398 1.944 600 HB2 LEU 78 1HB LEU 78 20.012 -4.926 2.916 601 HB3 LEU 78 2HB LEU 78 18.795 -4.813 4.173 602 HG LEU 78 HG LEU 78 18.136 -6.527 1.827 603 HD11 LEU 78 1HD1 LEU 78 19.398 -8.416 3.146 604 HD12 LEU 78 2HD1 LEU 78 20.253 -7.407 1.954 605 HD13 LEU 78 3HD1 LEU 78 20.418 -7.063 3.692 606 HD21 LEU 78 3HD2 LEU 78 17.696 -6.686 4.816 607 HD22 LEU 78 1HD2 LEU 78 16.496 -6.361 3.543 608 HD23 LEU 78 2HD2 LEU 78 17.235 -7.974 3.677 609 H THR 79 H THR 79 19.694 -1.864 2.699 610 HA THR 79 HA THR 79 18.441 -0.779 4.934 611 HB THR 79 HB THR 79 20.329 0.187 2.765 612 HG1 THR 79 1HG THR 79 21.652 0.174 4.708 613 HG21 THR 79 3HG2 THR 79 19.711 2.364 3.193 614 HG22 THR 79 1HG2 THR 79 18.699 1.888 4.579 615 HG23 THR 79 2HG2 THR 79 20.454 2.100 4.789 616 H GLU 80 H GLU 80 18.007 0.033 1.432 617 HA GLU 80 HA GLU 80 16.134 2.011 1.917 618 HB2 GLU 80 1HB GLU 80 17.273 0.627 -0.364 619 HB3 GLU 80 2HB GLU 80 15.544 0.788 -0.599 620 HG2 GLU 80 1HG GLU 80 15.722 3.244 -0.079 621 HG3 GLU 80 2HG GLU 80 17.456 3.068 0.095 622 HE2 GLU 80 HE GLU 80 14.884 2.901 -2.157 623 H LEU 81 H LEU 81 15.769 -1.522 1.217 624 HA LEU 81 HA LEU 81 13.007 -1.571 1.078 625 HB2 LEU 81 1HB LEU 81 15.108 -3.585 1.808 626 HB3 LEU 81 2HB LEU 81 13.408 -3.996 1.920 627 HG LEU 81 HG LEU 81 14.920 -4.400 -0.275 628 HD11 LEU 81 1HD1 LEU 81 11.991 -3.676 -0.483 629 HD12 LEU 81 2HD1 LEU 81 12.911 -4.848 -1.456 630 HD13 LEU 81 3HD1 LEU 81 12.582 -5.181 0.261 631 HD21 LEU 81 3HD2 LEU 81 15.279 -1.968 -0.601 632 HD22 LEU 81 1HD2 LEU 81 14.478 -2.756 -1.982 633 HD23 LEU 81 2HD2 LEU 81 13.527 -1.771 -0.844 634 H LYS 82 H LYS 82 15.232 -1.525 3.881 635 HA LYS 82 HA LYS 82 13.220 -2.116 5.781 636 HB2 LYS 82 1HB LYS 82 15.957 -2.035 5.785 637 HB3 LYS 82 2HB LYS 82 15.575 -0.571 6.668 638 HG2 LYS 82 1HG LYS 82 15.431 -2.005 8.458 639 HG3 LYS 82 2HG LYS 82 13.802 -2.259 7.864 640 HD2 LYS 82 1HD LYS 82 14.578 -4.227 6.542 641 HD3 LYS 82 2HD LYS 82 16.219 -3.964 7.095 642 HE2 LYS 82 1HE LYS 82 15.424 -4.266 9.478 643 HE3 LYS 82 2HE LYS 82 13.820 -4.624 8.870 644 HZ1 LYS 82 2HZ LYS 82 15.943 -6.191 7.664 645 HZ3 LYS 82 1HZ LYS 82 14.482 -6.678 8.191 646 H LYS 83 H LYS 83 14.502 0.866 4.268 647 HA LYS 83 HA LYS 83 13.313 2.677 6.022 648 HB2 LYS 83 1HB LYS 83 14.972 2.799 3.820 649 HB3 LYS 83 2HB LYS 83 13.500 3.533 3.216 650 HG2 LYS 83 1HG LYS 83 14.680 4.334 5.905 651 HG3 LYS 83 2HG LYS 83 15.222 5.078 4.414 652 HD2 LYS 83 1HD LYS 83 13.159 6.130 4.015 653 HD3 LYS 83 2HD LYS 83 12.251 4.936 4.922 654 HE2 LYS 83 1HE LYS 83 13.323 5.817 7.051 655 HE3 LYS 83 2HE LYS 83 14.085 7.077 6.101 656 HZ1 LYS 83 2HZ LYS 83 11.160 6.713 5.959 657 HZ3 LYS 83 1HZ LYS 83 12.024 8.058 5.648 658 H VAL 84 H VAL 84 12.141 1.320 2.866 659 HA VAL 84 HA VAL 84 9.657 2.628 3.010 660 HB VAL 84 HB VAL 84 9.064 1.282 1.151 661 HG11 VAL 84 1HG1 VAL 84 11.159 2.928 1.095 662 HG12 VAL 84 2HG1 VAL 84 12.011 1.425 0.666 663 HG13 VAL 84 3HG1 VAL 84 10.654 1.995 -0.335 664 HG21 VAL 84 3HG2 VAL 84 11.425 -0.537 1.713 665 HG22 VAL 84 1HG2 VAL 84 9.753 -0.901 2.201 666 HG23 VAL 84 2HG2 VAL 84 10.161 -0.740 0.476 667 H ILE 85 H ILE 85 10.882 -0.544 4.167 668 HA ILE 85 HA ILE 85 8.398 -1.630 4.825 669 HB ILE 85 HB ILE 85 11.238 -2.116 5.597 670 HG12 ILE 85 1HG1 ILE 85 9.747 -2.974 3.520 671 HG13 ILE 85 2HG1 ILE 85 11.095 -3.871 4.191 672 HG21 ILE 85 1HG2 ILE 85 8.892 -3.511 6.915 673 HG22 ILE 85 2HG2 ILE 85 10.615 -3.911 7.110 674 HG23 ILE 85 3HG2 ILE 85 9.990 -2.355 7.706 675 HD11 ILE 85 3HD1 ILE 85 9.101 -5.321 3.946 676 HD12 ILE 85 1HD1 ILE 85 9.540 -5.142 5.661 677 HD13 ILE 85 2HD1 ILE 85 8.169 -4.225 4.994 678 H ALA 86 H ALA 86 10.600 0.620 6.536 679 HA ALA 86 HA ALA 86 9.086 0.502 8.959 680 HB1 ALA 86 3HB ALA 86 11.607 1.511 8.041 681 HB2 ALA 86 1HB ALA 86 10.705 2.861 8.771 682 HB3 ALA 86 2HB ALA 86 11.009 1.381 9.712 683 H ASP 87 H ASP 87 8.980 2.270 5.908 684 HA ASP 87 HA ASP 87 7.454 4.409 6.968 685 HB2 ASP 87 1HB ASP 87 8.822 3.820 4.555 686 HB3 ASP 87 2HB ASP 87 7.137 3.941 4.086 687 HD2 ASP 87 HD ASP 87 6.122 5.880 4.511 688 H ILE 88 H ILE 88 6.914 1.184 5.584 689 HA ILE 88 HA ILE 88 4.102 1.685 5.120 690 HB ILE 88 HB ILE 88 5.810 0.219 3.759 691 HG12 ILE 88 1HG1 ILE 88 3.144 -1.083 4.071 692 HG13 ILE 88 2HG1 ILE 88 3.160 0.619 3.651 693 HG21 ILE 88 1HG2 ILE 88 6.495 -1.270 5.511 694 HG22 ILE 88 2HG2 ILE 88 4.807 -1.707 5.870 695 HG23 ILE 88 3HG2 ILE 88 5.543 -2.193 4.323 696 HD11 ILE 88 3HD1 ILE 88 3.199 -1.079 1.697 697 HD12 ILE 88 1HD1 ILE 88 4.393 0.240 1.640 698 HD13 ILE 88 2HD1 ILE 88 4.890 -1.389 2.159 699 H TYR 89 H TYR 89 6.120 -0.557 7.151 700 HA TYR 89 HA TYR 89 4.957 -0.109 9.539 701 HB2 TYR 89 1HB TYR 89 3.209 -2.005 9.560 702 HB3 TYR 89 2HB TYR 89 2.761 -0.652 8.541 703 HD1 TYR 89 1HD TYR 89 4.526 -3.956 8.325 704 HD2 TYR 89 2HD TYR 89 2.052 -1.070 6.363 705 HE1 TYR 89 1HE TYR 89 4.248 -5.529 6.347 706 HE2 TYR 89 2HE TYR 89 1.782 -2.652 4.391 707 HH TYR 89 HH TYR 89 3.210 -4.562 3.410 708 HA PRO 90 HA PRO 90 7.799 -3.263 10.385 709 HB2 PRO 90 2HB PRO 90 8.343 -2.321 12.415 710 HB3 PRO 90 1HB PRO 90 7.368 -3.627 13.059 711 HG2 PRO 90 1HG PRO 90 5.606 -2.215 13.527 712 HG3 PRO 90 2HG PRO 90 6.742 -0.904 13.279 713 HD2 PRO 90 1HD PRO 90 4.457 -1.525 11.659 714 HD3 PRO 90 2HD PRO 90 5.658 -0.287 11.348 715 H GLY 91 H GLY 91 7.973 -5.458 11.779 716 HA2 GLY 91 1HA GLY 91 7.047 -7.503 12.195 717 HA3 GLY 91 2HA GLY 91 5.485 -6.928 11.647 718 H GLN 92 H GLN 92 7.904 -9.091 10.938 719 HA GLN 92 HA GLN 92 7.564 -8.789 8.067 720 HB2 GLN 92 1HB GLN 92 9.877 -8.936 8.584 721 HB3 GLN 92 2HB GLN 92 9.630 -10.180 9.792 722 HG2 GLN 92 1HG GLN 92 8.640 -11.051 7.169 723 HG3 GLN 92 2HG GLN 92 10.322 -10.569 7.076 724 HE21 GLN 92 2HE2 GLN 92 9.999 -14.200 7.979 725 HE22 GLN 92 1HE2 GLN 92 9.370 -13.181 6.728 726 H THR 93 H THR 93 5.248 -9.572 8.499 727 HA THR 93 HA THR 93 5.224 -12.464 8.156 728 HB THR 93 HB THR 93 3.706 -12.843 9.974 729 HG1 THR 93 1HG THR 93 2.788 -10.868 11.021 730 HG21 THR 93 3HG2 THR 93 6.099 -12.143 10.742 731 HG22 THR 93 1HG2 THR 93 5.379 -10.557 11.109 732 HG23 THR 93 2HG2 THR 93 4.799 -12.014 11.951 733 H GLN 94 H GLN 94 3.421 -13.255 6.995 734 HA GLN 94 HA GLN 94 2.476 -11.414 5.127 735 HB2 GLN 94 1HB GLN 94 1.114 -13.325 4.293 736 HB3 GLN 94 2HB GLN 94 2.782 -13.780 4.575 737 HG2 GLN 94 1HG GLN 94 1.940 -14.497 6.969 738 HG3 GLN 94 2HG GLN 94 0.341 -14.447 6.253 739 HE21 GLN 94 2HE2 GLN 94 0.570 -17.446 4.536 740 HE22 GLN 94 1HE2 GLN 94 -0.355 -16.066 5.025 741 H PHE 95 H PHE 95 0.096 -11.011 4.635 742 HA PHE 95 HA PHE 95 -1.768 -11.329 6.753 743 HB2 PHE 95 1HB PHE 95 -0.003 -8.990 6.618 744 HB3 PHE 95 2HB PHE 95 -1.646 -8.470 6.297 745 HD1 PHE 95 2HD PHE 95 -3.242 -10.176 8.043 746 HD2 PHE 95 1HD PHE 95 0.504 -8.322 8.773 747 HE1 PHE 95 2HE PHE 95 -3.723 -10.175 10.506 748 HE2 PHE 95 1HE PHE 95 0.024 -8.321 11.236 749 HZ PHE 95 HZ PHE 95 -2.084 -9.248 12.074 750 H TYR 96 H TYR 96 -3.734 -9.600 6.182 751 HA TYR 96 HA TYR 96 -4.714 -10.480 3.730 752 HB2 TYR 96 1HB TYR 96 -5.371 -8.755 6.020 753 HB3 TYR 96 2HB TYR 96 -5.878 -7.950 4.548 754 HD1 TYR 96 1HD TYR 96 -6.007 -11.443 5.943 755 HD2 TYR 96 2HD TYR 96 -8.088 -8.277 3.955 756 HE1 TYR 96 1HE TYR 96 -8.120 -12.855 5.889 757 HE2 TYR 96 2HE TYR 96 -10.194 -9.700 3.908 758 HH TYR 96 HH TYR 96 -10.534 -12.412 3.940 759 H VAL 97 H VAL 97 -4.641 -9.703 1.654 760 HA VAL 97 HA VAL 97 -3.194 -7.168 1.302 761 HB VAL 97 HB VAL 97 -3.227 -9.713 -0.319 762 HG11 VAL 97 1HG1 VAL 97 -2.588 -8.661 -2.196 763 HG12 VAL 97 2HG1 VAL 97 -3.236 -7.186 -1.440 764 HG13 VAL 97 3HG1 VAL 97 -1.500 -7.560 -1.316 765 HG21 VAL 97 3HG2 VAL 97 -1.364 -10.145 0.830 766 HG22 VAL 97 1HG2 VAL 97 -0.613 -8.717 0.078 767 HG23 VAL 97 2HG2 VAL 97 -1.447 -8.564 1.643 768 H ILE 98 H ILE 98 -4.105 -5.596 -0.020 769 HA ILE 98 HA ILE 98 -6.678 -6.319 -1.234 770 HB ILE 98 HB ILE 98 -6.141 -3.664 0.073 771 HG12 ILE 98 1HG1 ILE 98 -5.868 -5.417 1.781 772 HG13 ILE 98 2HG1 ILE 98 -7.279 -4.417 2.065 773 HG21 ILE 98 1HG2 ILE 98 -8.258 -4.774 -1.513 774 HG22 ILE 98 2HG2 ILE 98 -8.868 -4.416 0.120 775 HG23 ILE 98 3HG2 ILE 98 -8.090 -3.135 -0.840 776 HD11 ILE 98 3HD1 ILE 98 -7.115 -7.303 1.453 777 HD12 ILE 98 1HD1 ILE 98 -8.417 -6.382 2.245 778 HD13 ILE 98 2HD1 ILE 98 -8.322 -6.442 0.468 779 H GLU 99 H GLU 99 -6.428 -6.220 -3.397 780 HA GLU 99 HA GLU 99 -4.458 -4.356 -4.407 781 HB2 GLU 99 1HB GLU 99 -4.792 -6.930 -5.055 782 HB3 GLU 99 2HB GLU 99 -5.971 -6.274 -6.174 783 HG2 GLU 99 1HG GLU 99 -4.210 -4.715 -7.078 784 HG3 GLU 99 2HG GLU 99 -3.037 -5.438 -5.994 785 HE2 GLU 99 HE GLU 99 -1.973 -6.443 -8.310 786 H PHE 100 H PHE 100 -4.961 -2.688 -5.903 787 HA PHE 100 HA PHE 100 -7.745 -2.392 -6.665 788 HB2 PHE 100 1HB PHE 100 -7.512 0.065 -5.822 789 HB3 PHE 100 2HB PHE 100 -7.684 -1.152 -4.573 790 HD1 PHE 100 2HD PHE 100 -4.878 0.347 -6.545 791 HD2 PHE 100 1HD PHE 100 -6.326 -0.866 -2.745 792 HE1 PHE 100 2HE PHE 100 -2.747 1.138 -5.481 793 HE2 PHE 100 1HE PHE 100 -4.195 -0.075 -1.681 794 HZ PHE 100 HZ PHE 100 -2.431 0.918 -3.061 795 H LYS 101 H LYS 101 -7.925 -0.243 -8.069 796 HA LYS 101 HA LYS 101 -5.444 0.320 -9.458 797 HB2 LYS 101 1HB LYS 101 -6.075 -0.444 -11.558 798 HB3 LYS 101 2HB LYS 101 -6.592 -1.740 -10.500 799 HG2 LYS 101 1HG LYS 101 -8.906 -0.956 -10.541 800 HG3 LYS 101 2HG LYS 101 -8.450 0.519 -11.371 801 HD2 LYS 101 1HD LYS 101 -7.608 -0.934 -13.304 802 HD3 LYS 101 2HD LYS 101 -8.303 -2.319 -12.486 803 HE2 LYS 101 1HE LYS 101 -10.075 0.085 -12.912 804 HE3 LYS 101 2HE LYS 101 -9.692 -0.900 -14.310 805 HZ1 LYS 101 2HZ LYS 101 -11.519 -1.486 -12.258 806 HZ3 LYS 101 1HZ LYS 101 -10.367 -2.635 -12.217 807 H CYS 102 H CYS 102 -5.621 2.254 -10.834 808 HA CYS 102 HA CYS 102 -7.589 4.045 -9.694 809 HB2 CYS 102 1HB CYS 102 -5.396 4.934 -9.626 810 HB3 CYS 102 2HB CYS 102 -5.051 4.467 -11.280 811 HG CYS 102 HG CYS 102 -6.710 6.942 -9.996 812 H LEU 103 H LEU 103 -9.430 4.621 -10.813 813 HA LEU 103 HA LEU 103 -9.896 3.459 -13.368 814 HB2 LEU 103 1HB LEU 103 -11.568 5.516 -11.930 815 HB3 LEU 103 2HB LEU 103 -12.082 4.395 -13.176 816 HG LEU 103 HG LEU 103 -10.999 3.352 -10.570 817 HD11 LEU 103 1HD1 LEU 103 -13.388 3.271 -9.762 818 HD12 LEU 103 2HD1 LEU 103 -12.635 4.885 -9.790 819 HD13 LEU 103 3HD1 LEU 103 -13.786 4.417 -11.065 820 HD21 LEU 103 3HD2 LEU 103 -13.110 2.230 -12.428 821 HD22 LEU 103 1HD2 LEU 103 -11.375 1.841 -12.528 822 HD23 LEU 103 2HD2 LEU 103 -12.302 1.410 -11.071 Start of MODEL 15 1 H1 MET 1 1H MET 1 -16.492 10.998 11.430 2 HA MET 1 HA MET 1 -16.345 12.328 8.968 3 HB2 MET 1 1HB MET 1 -14.386 13.100 11.188 4 HB3 MET 1 2HB MET 1 -13.958 13.284 9.499 5 HG2 MET 1 1HG MET 1 -15.730 14.877 9.111 6 HG3 MET 1 2HG MET 1 -16.529 14.476 10.618 7 HE1 MET 1 3HE MET 1 -14.948 16.472 13.256 8 HE2 MET 1 1HE MET 1 -16.443 16.607 12.300 9 HE3 MET 1 2HE MET 1 -15.863 15.008 12.824 10 H GLN 2 H GLN 2 -14.359 10.674 11.519 11 HA GLN 2 HA GLN 2 -13.197 8.838 11.479 12 HB2 GLN 2 1HB GLN 2 -15.055 8.390 9.215 13 HB3 GLN 2 2HB GLN 2 -13.579 7.453 9.102 14 HG2 GLN 2 1HG GLN 2 -14.156 7.059 11.745 15 HG3 GLN 2 2HG GLN 2 -15.780 7.298 11.131 16 HE21 GLN 2 2HE2 GLN 2 -16.003 3.966 10.243 17 HE22 GLN 2 1HE2 GLN 2 -16.646 5.356 11.053 18 HA PRO 3 HA PRO 3 -9.645 9.939 9.237 19 HB2 PRO 3 2HB PRO 3 -8.262 9.165 10.908 20 HB3 PRO 3 1HB PRO 3 -7.999 7.831 9.802 21 HG2 PRO 3 1HG PRO 3 -9.330 6.412 11.037 22 HG3 PRO 3 2HG PRO 3 -9.225 7.609 12.312 23 HD2 PRO 3 1HD PRO 3 -11.577 6.861 10.852 24 HD3 PRO 3 2HD PRO 3 -11.446 8.138 12.045 25 H ASN 4 H ASN 4 -7.878 9.007 7.658 26 HA ASN 4 HA ASN 4 -9.185 8.484 5.360 27 HB2 ASN 4 1HB ASN 4 -6.685 9.048 5.751 28 HB3 ASN 4 2HB ASN 4 -6.428 7.337 6.027 29 HD21 ASN 4 2HD2 ASN 4 -7.046 8.888 2.276 30 HD22 ASN 4 1HD2 ASN 4 -7.228 9.816 3.727 31 H ASP 5 H ASP 5 -8.674 6.281 3.995 32 HA ASP 5 HA ASP 5 -9.854 4.197 5.581 33 HB2 ASP 5 1HB ASP 5 -9.091 4.107 2.631 34 HB3 ASP 5 2HB ASP 5 -10.249 3.080 3.453 35 HD2 ASP 5 HD ASP 5 -11.409 3.868 1.613 36 H ILE 6 H ILE 6 -6.919 4.929 3.594 37 HA ILE 6 HA ILE 6 -5.329 3.170 5.153 38 HB ILE 6 HB ILE 6 -6.310 1.431 3.884 39 HG12 ILE 6 1HG1 ILE 6 -4.184 0.961 2.269 40 HG13 ILE 6 2HG1 ILE 6 -3.505 2.207 3.297 41 HG21 ILE 6 1HG2 ILE 6 -6.278 1.403 1.402 42 HG22 ILE 6 2HG2 ILE 6 -7.320 2.674 2.085 43 HG23 ILE 6 3HG2 ILE 6 -5.723 3.094 1.421 44 HD11 ILE 6 3HD1 ILE 6 -5.060 0.167 4.787 45 HD12 ILE 6 1HD1 ILE 6 -3.629 -0.477 3.946 46 HD13 ILE 6 2HD1 ILE 6 -3.448 0.842 5.128 47 H THR 7 H THR 7 -3.124 3.663 4.922 48 HA THR 7 HA THR 7 -2.602 5.879 3.051 49 HB THR 7 HB THR 7 -0.713 6.252 4.891 50 HG1 THR 7 1HG THR 7 -1.741 5.414 6.964 51 HG21 THR 7 3HG2 THR 7 -2.150 7.706 6.139 52 HG22 THR 7 1HG2 THR 7 -2.899 7.653 4.525 53 HG23 THR 7 2HG2 THR 7 -3.574 6.677 5.851 54 H PHE 8 H PHE 8 -0.249 6.049 2.369 55 HA PHE 8 HA PHE 8 1.160 3.544 2.327 56 HB2 PHE 8 1HB PHE 8 0.307 4.909 -0.284 57 HB3 PHE 8 2HB PHE 8 1.034 3.323 -0.118 58 HD1 PHE 8 1HD PHE 8 -2.063 5.255 0.428 59 HD2 PHE 8 2HD PHE 8 -0.300 1.397 0.291 60 HE1 PHE 8 1HE PHE 8 -4.346 4.211 0.452 61 HE2 PHE 8 2HE PHE 8 -2.583 0.353 0.315 62 HZ PHE 8 HZ PHE 8 -4.578 1.773 0.395 63 H PHE 9 H PHE 9 3.343 3.925 2.275 64 HA PHE 9 HA PHE 9 4.481 6.273 2.712 65 HB2 PHE 9 1HB PHE 9 5.504 3.913 2.503 66 HB3 PHE 9 2HB PHE 9 5.525 4.131 0.764 67 HD1 PHE 9 1HD PHE 9 6.317 6.807 3.179 68 HD2 PHE 9 2HD PHE 9 7.877 3.941 0.467 69 HE1 PHE 9 1HE PHE 9 8.578 7.883 3.343 70 HE2 PHE 9 2HE PHE 9 10.139 5.017 0.630 71 HZ PHE 9 HZ PHE 9 10.462 6.976 2.066 72 H GLN 10 H GLN 10 5.776 7.819 1.410 73 HA GLN 10 HA GLN 10 4.308 9.018 -0.517 74 HB2 GLN 10 1HB GLN 10 6.230 10.032 0.719 75 HB3 GLN 10 2HB GLN 10 7.345 9.074 -0.235 76 HG2 GLN 10 1HG GLN 10 5.731 10.294 -2.180 77 HG3 GLN 10 2HG GLN 10 5.898 11.544 -0.963 78 HE21 GLN 10 2HE2 GLN 10 8.886 12.512 -2.433 79 HE22 GLN 10 1HE2 GLN 10 7.263 12.888 -1.959 80 H ARG 11 H ARG 11 7.110 6.756 -0.978 81 HA ARG 11 HA ARG 11 7.270 6.840 -3.659 82 HB2 ARG 11 1HB ARG 11 7.512 4.371 -1.865 83 HB3 ARG 11 2HB ARG 11 8.135 4.467 -3.500 84 HG2 ARG 11 1HG ARG 11 9.413 6.606 -2.650 85 HG3 ARG 11 2HG ARG 11 9.058 5.999 -1.045 86 HD2 ARG 11 1HD ARG 11 10.590 4.297 -1.213 87 HD3 ARG 11 2HD ARG 11 10.124 3.909 -2.857 88 HE ARG 11 HE ARG 11 12.289 5.680 -2.041 89 HH11 ARG 11 2HH2 ARG 11 9.981 5.022 -4.647 90 HH12 ARG 11 1HH2 ARG 11 10.959 5.767 -5.868 91 HH21 ARG 11 1HH ARG 11 13.070 6.724 -5.260 92 H PHE 12 H PHE 12 5.048 4.831 -1.622 93 HA PHE 12 HA PHE 12 3.906 3.397 -3.721 94 HB2 PHE 12 1HB PHE 12 3.796 3.507 -0.950 95 HB3 PHE 12 2HB PHE 12 2.260 4.257 -1.339 96 HD1 PHE 12 1HD PHE 12 1.450 2.715 -3.732 97 HD2 PHE 12 2HD PHE 12 3.225 1.418 -0.103 98 HE1 PHE 12 1HE PHE 12 0.420 0.447 -4.039 99 HE2 PHE 12 2HE PHE 12 2.196 -0.850 -0.410 100 HZ PHE 12 HZ PHE 12 0.805 -1.309 -2.374 101 H GLN 13 H GLN 13 3.304 6.666 -2.432 102 HA GLN 13 HA GLN 13 0.778 6.972 -3.568 103 HB2 GLN 13 1HB GLN 13 2.774 8.637 -2.199 104 HB3 GLN 13 2HB GLN 13 1.937 9.534 -3.451 105 HG2 GLN 13 1HG GLN 13 0.098 7.851 -1.870 106 HG3 GLN 13 2HG GLN 13 0.969 8.996 -0.870 107 HE21 GLN 13 2HE2 GLN 13 -1.776 10.206 -3.702 108 HE22 GLN 13 1HE2 GLN 13 -1.125 8.602 -3.658 109 H ASP 14 H ASP 14 4.077 8.021 -4.675 110 HA ASP 14 HA ASP 14 3.288 9.221 -6.988 111 HB2 ASP 14 1HB ASP 14 5.574 9.405 -6.240 112 HB3 ASP 14 2HB ASP 14 5.794 7.667 -6.237 113 HD2 ASP 14 HD ASP 14 5.783 7.143 -9.413 114 H ASP 15 H ASP 15 4.141 5.766 -6.282 115 HA ASP 15 HA ASP 15 4.071 4.804 -8.831 116 HB2 ASP 15 1HB ASP 15 4.722 3.596 -6.671 117 HB3 ASP 15 2HB ASP 15 3.013 3.371 -6.351 118 HD2 ASP 15 HD ASP 15 5.332 2.780 -8.821 119 H ILE 16 H ILE 16 1.433 5.246 -6.383 120 HA ILE 16 HA ILE 16 -0.602 4.053 -7.883 121 HB ILE 16 HB ILE 16 -0.569 6.065 -5.645 122 HG12 ILE 16 1HG1 ILE 16 -1.575 3.226 -5.558 123 HG13 ILE 16 2HG1 ILE 16 0.136 3.573 -5.407 124 HG21 ILE 16 1HG2 ILE 16 -3.049 4.686 -6.688 125 HG22 ILE 16 2HG2 ILE 16 -2.926 5.953 -5.443 126 HG23 ILE 16 3HG2 ILE 16 -2.586 6.342 -7.147 127 HD11 ILE 16 3HD1 ILE 16 -1.513 5.346 -3.722 128 HD12 ILE 16 1HD1 ILE 16 -1.719 3.623 -3.326 129 HD13 ILE 16 2HD1 ILE 16 -0.099 4.358 -3.284 130 H LEU 17 H LEU 17 0.599 7.451 -7.672 131 HA LEU 17 HA LEU 17 -1.366 8.571 -9.291 132 HB2 LEU 17 1HB LEU 17 -0.292 10.398 -8.710 133 HB3 LEU 17 2HB LEU 17 0.902 9.403 -7.901 134 HG LEU 17 HG LEU 17 1.986 9.277 -10.308 135 HD11 LEU 17 1HD1 LEU 17 0.875 10.448 -11.846 136 HD12 LEU 17 2HD1 LEU 17 -0.101 11.297 -10.623 137 HD13 LEU 17 3HD1 LEU 17 1.520 11.900 -11.045 138 HD21 LEU 17 3HD2 LEU 17 3.551 10.299 -9.115 139 HD22 LEU 17 1HD2 LEU 17 2.764 11.856 -9.469 140 HD23 LEU 17 2HD2 LEU 17 2.331 10.953 -7.997 141 H ALA 18 H ALA 18 1.387 6.507 -10.019 142 HA ALA 18 HA ALA 18 1.334 7.223 -12.825 143 HB1 ALA 18 3HB ALA 18 2.884 4.923 -11.644 144 HB2 ALA 18 1HB ALA 18 3.323 6.017 -12.977 145 HB3 ALA 18 2HB ALA 18 3.386 6.594 -11.294 146 H GLY 19 H GLY 19 -0.887 5.774 -11.053 147 HA2 GLY 19 1HA GLY 19 -2.539 4.322 -11.533 148 HA3 GLY 19 2HA GLY 19 -1.922 4.207 -13.169 149 H ARG 20 H ARG 20 -1.192 2.226 -13.799 150 HA ARG 20 HA ARG 20 -0.738 0.100 -13.640 151 HB2 ARG 20 1HB ARG 20 1.458 1.630 -12.659 152 HB3 ARG 20 2HB ARG 20 1.363 0.237 -11.600 153 HG2 ARG 20 1HG ARG 20 2.298 -1.063 -13.202 154 HG3 ARG 20 2HG ARG 20 0.957 -0.722 -14.278 155 HD2 ARG 20 1HD ARG 20 2.112 1.430 -14.963 156 HD3 ARG 20 2HD ARG 20 3.479 0.978 -13.964 157 HE ARG 20 HE ARG 20 2.723 -0.213 -16.543 158 HH11 ARG 20 2HH2 ARG 20 4.623 -0.633 -13.582 159 HH12 ARG 20 1HH2 ARG 20 5.715 -1.772 -14.297 160 HH21 ARG 20 1HH ARG 20 5.426 -2.394 -16.593 161 H LYS 21 H LYS 21 -2.530 -0.924 -12.649 162 HA LYS 21 HA LYS 21 -3.429 -0.770 -10.140 163 HB2 LYS 21 1HB LYS 21 -3.272 -3.106 -12.039 164 HB3 LYS 21 2HB LYS 21 -4.027 -3.278 -10.467 165 HG2 LYS 21 1HG LYS 21 -5.915 -2.324 -11.275 166 HG3 LYS 21 2HG LYS 21 -5.034 -0.837 -11.566 167 HD2 LYS 21 1HD LYS 21 -4.543 -2.958 -13.597 168 HD3 LYS 21 2HD LYS 21 -6.201 -2.396 -13.536 169 HE2 LYS 21 1HE LYS 21 -5.591 -0.560 -14.719 170 HE3 LYS 21 2HE LYS 21 -4.601 -0.044 -13.369 171 HZ1 LYS 21 2HZ LYS 21 -3.044 -0.258 -15.051 172 HZ3 LYS 21 1HZ LYS 21 -3.769 -1.531 -15.763 173 H THR 22 H THR 22 -2.870 -1.385 -8.081 174 HA THR 22 HA THR 22 -0.572 -3.168 -7.783 175 HB THR 22 HB THR 22 -0.820 -0.293 -6.780 176 HG1 THR 22 1HG THR 22 0.329 -0.466 -8.731 177 HG21 THR 22 3HG2 THR 22 0.007 -1.574 -4.856 178 HG22 THR 22 1HG2 THR 22 1.082 -2.528 -5.906 179 HG23 THR 22 2HG2 THR 22 1.404 -0.798 -5.640 180 H ILE 23 H ILE 23 -0.493 -4.306 -5.807 181 HA ILE 23 HA ILE 23 -3.102 -4.345 -4.493 182 HB ILE 23 HB ILE 23 -1.313 -6.455 -3.703 183 HG12 ILE 23 1HG1 ILE 23 -1.562 -5.938 -6.668 184 HG13 ILE 23 2HG1 ILE 23 -0.113 -6.242 -5.731 185 HG21 ILE 23 1HG2 ILE 23 -3.603 -7.094 -5.435 186 HG22 ILE 23 2HG2 ILE 23 -3.207 -7.649 -3.790 187 HG23 ILE 23 3HG2 ILE 23 -4.001 -6.074 -4.032 188 HD11 ILE 23 3HD1 ILE 23 -2.290 -8.203 -6.521 189 HD12 ILE 23 1HD1 ILE 23 -0.534 -8.318 -6.792 190 HD13 ILE 23 2HD1 ILE 23 -1.199 -8.551 -5.158 191 H THR 24 H THR 24 -3.239 -4.416 -2.148 192 HA THR 24 HA THR 24 -0.887 -3.176 -0.874 193 HB THR 24 HB THR 24 -2.461 -1.817 0.410 194 HG1 THR 24 1HG THR 24 -4.825 -2.284 -0.224 195 HG21 THR 24 3HG2 THR 24 -2.160 -0.871 -1.848 196 HG22 THR 24 1HG2 THR 24 -3.351 -2.013 -2.515 197 HG23 THR 24 2HG2 THR 24 -3.877 -0.732 -1.398 198 H ILE 25 H ILE 25 -1.075 -3.419 1.645 199 HA ILE 25 HA ILE 25 -2.010 -6.136 2.220 200 HB ILE 25 HB ILE 25 0.673 -4.990 3.002 201 HG12 ILE 25 1HG1 ILE 25 1.219 -7.224 1.556 202 HG13 ILE 25 2HG1 ILE 25 -0.218 -6.665 0.722 203 HG21 ILE 25 1HG2 ILE 25 1.133 -7.077 4.052 204 HG22 ILE 25 2HG2 ILE 25 -0.430 -6.502 4.678 205 HG23 ILE 25 3HG2 ILE 25 -0.383 -7.790 3.450 206 HD11 ILE 25 3HD1 ILE 25 2.396 -5.175 1.153 207 HD12 ILE 25 1HD1 ILE 25 1.582 -5.561 -0.382 208 HD13 ILE 25 2HD1 ILE 25 0.902 -4.321 0.698 209 H ARG 26 H ARG 26 -3.237 -6.264 4.037 210 HA ARG 26 HA ARG 26 -3.029 -3.989 5.841 211 HB2 ARG 26 1HB ARG 26 -5.662 -5.311 5.868 212 HB3 ARG 26 2HB ARG 26 -5.284 -3.607 5.718 213 HG2 ARG 26 1HG ARG 26 -4.916 -5.542 3.394 214 HG3 ARG 26 2HG ARG 26 -6.447 -4.746 3.698 215 HD2 ARG 26 1HD ARG 26 -3.790 -3.295 3.266 216 HD3 ARG 26 2HD ARG 26 -5.024 -3.503 2.039 217 HE ARG 26 HE ARG 26 -5.160 -1.708 4.384 218 HH11 ARG 26 2HH2 ARG 26 -6.914 -3.193 1.687 219 HH12 ARG 26 1HH2 ARG 26 -8.194 -2.027 1.716 220 HH21 ARG 26 1HH ARG 26 -8.135 -0.258 3.331 221 H ASP 27 H ASP 27 -4.218 -4.633 8.071 222 HA ASP 27 HA ASP 27 -3.210 -7.288 8.704 223 HB2 ASP 27 1HB ASP 27 -2.122 -5.492 9.968 224 HB3 ASP 27 2HB ASP 27 -3.671 -4.809 10.421 225 HD2 ASP 27 HD ASP 27 -2.380 -5.115 12.447 226 H GLU 28 H GLU 28 -4.716 -8.824 9.450 227 HA GLU 28 HA GLU 28 -7.392 -8.398 9.132 228 HB2 GLU 28 1HB GLU 28 -6.535 -10.641 9.149 229 HB3 GLU 28 2HB GLU 28 -5.837 -10.451 10.745 230 HG2 GLU 28 1HG GLU 28 -7.935 -11.777 10.838 231 HG3 GLU 28 2HG GLU 28 -8.084 -10.294 11.759 232 HE2 GLU 28 HE GLU 28 -10.378 -10.080 11.362 233 H SER 29 H SER 29 -5.297 -7.881 11.977 234 HA SER 29 HA SER 29 -7.320 -7.691 13.859 235 HB2 SER 29 1HB SER 29 -5.060 -7.924 14.618 236 HB3 SER 29 2HB SER 29 -4.513 -6.545 13.686 237 HG SER 29 HG SER 29 -4.826 -6.186 16.055 238 H GLU 30 H GLU 30 -6.601 -5.718 11.153 239 HA GLU 30 HA GLU 30 -8.049 -3.510 12.396 240 HB2 GLU 30 1HB GLU 30 -5.654 -3.538 10.580 241 HB3 GLU 30 2HB GLU 30 -6.811 -2.240 10.361 242 HG2 GLU 30 1HG GLU 30 -5.883 -2.893 13.164 243 HG3 GLU 30 2HG GLU 30 -4.801 -2.007 12.107 244 HE2 GLU 30 HE GLU 30 -6.013 -0.932 14.366 245 H SER 31 H SER 31 -8.656 -6.098 10.644 246 HA SER 31 HA SER 31 -9.404 -5.616 8.177 247 HB2 SER 31 1HB SER 31 -10.412 -7.608 8.495 248 HB3 SER 31 2HB SER 31 -10.193 -7.421 10.224 249 HG SER 31 HG SER 31 -12.245 -6.317 10.331 250 H HIS 32 H HIS 32 -10.843 -4.330 7.021 251 HA HIS 32 HA HIS 32 -13.028 -3.092 8.444 252 HB2 HIS 32 1HB HIS 32 -12.388 -0.819 7.619 253 HB3 HIS 32 2HB HIS 32 -11.372 -1.456 8.896 254 HD1 HIS 32 1HD HIS 32 -10.743 0.675 6.411 255 HD2 HIS 32 2HD HIS 32 -9.274 -3.210 6.998 256 HE1 HIS 32 1HE HIS 32 -8.558 0.532 5.100 257 H PHE 33 H PHE 33 -12.373 -1.236 5.735 258 HA PHE 33 HA PHE 33 -14.509 -1.984 4.285 259 HB2 PHE 33 1HB PHE 33 -11.717 -0.948 3.585 260 HB3 PHE 33 2HB PHE 33 -12.898 -1.164 2.308 261 HD1 PHE 33 2HD PHE 33 -14.043 -0.148 5.617 262 HD2 PHE 33 1HD PHE 33 -12.803 1.227 1.798 263 HE1 PHE 33 2HE PHE 33 -15.003 2.116 6.120 264 HE2 PHE 33 1HE PHE 33 -13.762 3.491 2.302 265 HZ PHE 33 HZ PHE 33 -14.851 3.908 4.457 266 H LYS 34 H LYS 34 -14.323 -2.881 1.859 267 HA LYS 34 HA LYS 34 -12.577 -5.198 1.759 268 HB2 LYS 34 1HB LYS 34 -14.378 -6.765 1.357 269 HB3 LYS 34 2HB LYS 34 -14.583 -6.010 2.925 270 HG2 LYS 34 1HG LYS 34 -15.920 -4.608 0.645 271 HG3 LYS 34 2HG LYS 34 -16.570 -6.187 1.039 272 HD2 LYS 34 1HD LYS 34 -16.057 -4.165 3.244 273 HD3 LYS 34 2HD LYS 34 -17.512 -4.053 2.274 274 HE2 LYS 34 1HE LYS 34 -17.238 -6.810 3.021 275 HE3 LYS 34 2HE LYS 34 -16.930 -5.868 4.466 276 HZ1 LYS 34 2HZ LYS 34 -19.156 -5.665 4.592 277 HZ3 LYS 34 1HZ LYS 34 -19.406 -6.239 3.088 278 H THR 35 H THR 35 -13.816 -6.383 -0.527 279 HA THR 35 HA THR 35 -12.884 -4.545 -2.515 280 HB THR 35 HB THR 35 -14.277 -7.249 -2.841 281 HG1 THR 35 1HG THR 35 -12.244 -8.078 -2.263 282 HG21 THR 35 3HG2 THR 35 -13.823 -6.147 -4.992 283 HG22 THR 35 1HG2 THR 35 -12.185 -5.702 -4.456 284 HG23 THR 35 2HG2 THR 35 -12.594 -7.411 -4.743 285 H GLY 36 H GLY 36 -14.122 -3.926 -4.454 286 HA2 GLY 36 1HA GLY 36 -15.964 -3.136 -5.503 287 HA3 GLY 36 2HA GLY 36 -16.981 -3.984 -4.355 288 H ASP 37 H ASP 37 -14.510 -1.995 -2.903 289 HA ASP 37 HA ASP 37 -16.519 0.078 -2.487 290 HB2 ASP 37 1HB ASP 37 -15.088 -1.573 -0.583 291 HB3 ASP 37 2HB ASP 37 -14.570 0.087 -0.368 292 HD2 ASP 37 HD ASP 37 -16.923 -1.571 1.391 293 H VAL 38 H VAL 38 -14.909 1.980 -1.176 294 HA VAL 38 HA VAL 38 -12.874 2.526 -3.218 295 HB VAL 38 HB VAL 38 -14.969 4.081 -1.949 296 HG11 VAL 38 1HG1 VAL 38 -12.129 5.115 -1.773 297 HG12 VAL 38 2HG1 VAL 38 -13.547 6.190 -1.803 298 HG13 VAL 38 3HG1 VAL 38 -13.351 5.011 -0.484 299 HG21 VAL 38 3HG2 VAL 38 -14.071 3.702 -4.466 300 HG22 VAL 38 1HG2 VAL 38 -15.024 5.120 -3.968 301 HG23 VAL 38 2HG2 VAL 38 -13.251 5.235 -4.083 302 H LEU 39 H LEU 39 -10.789 3.287 -2.561 303 HA LEU 39 HA LEU 39 -10.245 2.938 0.299 304 HB2 LEU 39 1HB LEU 39 -8.903 1.640 -2.046 305 HB3 LEU 39 2HB LEU 39 -7.985 1.991 -0.595 306 HG LEU 39 HG LEU 39 -10.540 0.370 -0.567 307 HD11 LEU 39 1HD1 LEU 39 -9.173 -1.644 -0.536 308 HD12 LEU 39 2HD1 LEU 39 -8.905 -0.723 -2.035 309 HD13 LEU 39 3HD1 LEU 39 -7.697 -0.668 -0.729 310 HD21 LEU 39 3HD2 LEU 39 -8.339 0.191 1.462 311 HD22 LEU 39 1HD2 LEU 39 -9.506 1.532 1.536 312 HD23 LEU 39 2HD2 LEU 39 -10.078 -0.151 1.629 313 H ARG 40 H ARG 40 -9.826 4.984 0.972 314 HA ARG 40 HA ARG 40 -8.812 6.904 -0.792 315 HB2 ARG 40 1HB ARG 40 -10.116 6.966 1.639 316 HB3 ARG 40 2HB ARG 40 -8.487 7.360 2.148 317 HG2 ARG 40 1HG ARG 40 -8.585 9.443 1.224 318 HG3 ARG 40 2HG ARG 40 -9.233 8.833 -0.286 319 HD2 ARG 40 1HD ARG 40 -11.325 9.517 0.276 320 HD3 ARG 40 2HD ARG 40 -11.277 8.583 1.758 321 HE ARG 40 HE ARG 40 -9.711 10.791 2.354 322 HH11 ARG 40 2HH2 ARG 40 -13.008 10.392 1.120 323 HH12 ARG 40 1HH2 ARG 40 -13.583 11.867 1.823 324 HH21 ARG 40 1HH ARG 40 -12.072 13.230 3.090 325 H VAL 41 H VAL 41 -6.683 7.634 -1.114 326 HA VAL 41 HA VAL 41 -4.629 6.213 0.437 327 HB VAL 41 HB VAL 41 -3.232 6.292 -1.510 328 HG11 VAL 41 1HG1 VAL 41 -5.922 5.060 -1.629 329 HG12 VAL 41 2HG1 VAL 41 -5.058 5.158 -3.182 330 HG13 VAL 41 3HG1 VAL 41 -4.310 4.325 -1.799 331 HG21 VAL 41 3HG2 VAL 41 -5.499 7.669 -2.986 332 HG22 VAL 41 1HG2 VAL 41 -4.050 8.494 -2.364 333 HG23 VAL 41 2HG2 VAL 41 -3.892 7.248 -3.626 334 H GLY 42 H GLY 42 -2.938 7.417 1.327 335 HA2 GLY 42 1HA GLY 42 -2.981 10.321 0.828 336 HA3 GLY 42 2HA GLY 42 -3.107 9.711 2.466 337 H ARG 43 H ARG 43 -1.129 10.388 3.311 338 HA ARG 43 HA ARG 43 1.126 8.928 2.294 339 HB2 ARG 43 1HB ARG 43 0.832 11.517 1.422 340 HB3 ARG 43 2HB ARG 43 1.715 11.804 2.908 341 HG2 ARG 43 1HG ARG 43 3.275 9.833 2.015 342 HG3 ARG 43 2HG ARG 43 2.582 10.251 0.460 343 HD2 ARG 43 1HD ARG 43 3.522 12.574 2.095 344 HD3 ARG 43 2HD ARG 43 4.785 11.493 1.540 345 HE ARG 43 HE ARG 43 3.224 11.892 -0.726 346 HH11 ARG 43 2HH2 ARG 43 4.902 14.050 1.527 347 HH12 ARG 43 1HH2 ARG 43 5.174 15.281 0.340 348 HH21 ARG 43 1HH ARG 43 4.389 14.946 -1.899 349 H PHE 44 H PHE 44 2.582 8.368 3.970 350 HA PHE 44 HA PHE 44 1.622 8.775 6.614 351 HB2 PHE 44 1HB PHE 44 3.160 6.924 5.215 352 HB3 PHE 44 2HB PHE 44 4.423 7.816 6.041 353 HD1 PHE 44 1HD PHE 44 4.311 7.989 8.574 354 HD2 PHE 44 2HD PHE 44 1.895 5.300 6.351 355 HE1 PHE 44 1HE PHE 44 3.912 6.633 10.648 356 HE2 PHE 44 2HE PHE 44 1.495 3.945 8.426 357 HZ PHE 44 HZ PHE 44 2.509 4.627 10.549 358 H GLU 45 H GLU 45 4.123 10.232 4.535 359 HA GLU 45 HA GLU 45 5.778 11.308 6.369 360 HB2 GLU 45 1HB GLU 45 5.147 11.720 3.602 361 HB3 GLU 45 2HB GLU 45 5.253 13.304 4.343 362 HG2 GLU 45 1HG GLU 45 7.465 12.407 5.443 363 HG3 GLU 45 2HG GLU 45 7.379 11.136 4.238 364 HE2 GLU 45 HE GLU 45 7.631 14.987 3.358 365 H ASP 46 H ASP 46 2.634 12.669 5.185 366 HA ASP 46 HA ASP 46 1.783 13.616 7.536 367 HB2 ASP 46 1HB ASP 46 2.287 16.168 7.151 368 HB3 ASP 46 2HB ASP 46 3.494 15.169 7.936 369 HD2 ASP 46 HD ASP 46 2.727 16.904 5.168 370 H ASP 47 H ASP 47 2.324 14.243 4.054 371 HA ASP 47 HA ASP 47 0.470 15.952 3.329 372 HB2 ASP 47 1HB ASP 47 1.841 13.788 2.105 373 HB3 ASP 47 2HB ASP 47 0.157 13.537 1.691 374 HD2 ASP 47 HD ASP 47 2.258 16.132 -0.284 375 H GLY 48 H GLY 48 -0.095 12.436 4.068 376 HA2 GLY 48 1HA GLY 48 -1.925 11.349 4.806 377 HA3 GLY 48 2HA GLY 48 -2.667 12.895 5.169 378 H TYR 49 H TYR 49 -4.735 12.147 4.373 379 HA TYR 49 HA TYR 49 -5.387 10.908 2.115 380 HB2 TYR 49 1HB TYR 49 -7.107 11.755 3.592 381 HB3 TYR 49 2HB TYR 49 -6.432 13.373 3.583 382 HD1 TYR 49 2HD TYR 49 -7.219 11.262 0.607 383 HD2 TYR 49 1HD TYR 49 -8.300 14.673 2.954 384 HE1 TYR 49 2HE TYR 49 -8.901 11.960 -1.167 385 HE2 TYR 49 1HE TYR 49 -9.978 15.358 1.172 386 HH TYR 49 HH TYR 49 -11.290 14.226 -0.593 387 H PHE 50 H PHE 50 -4.609 11.066 0.069 388 HA PHE 50 HA PHE 50 -4.103 13.774 -0.937 389 HB2 PHE 50 1HB PHE 50 -2.440 11.573 -0.739 390 HB3 PHE 50 2HB PHE 50 -3.149 11.253 -2.309 391 HD1 PHE 50 1HD PHE 50 -1.584 14.090 -0.447 392 HD2 PHE 50 2HD PHE 50 -2.070 12.097 -4.161 393 HE1 PHE 50 1HE PHE 50 0.053 15.670 -1.509 394 HE2 PHE 50 2HE PHE 50 -0.434 13.676 -5.223 395 HZ PHE 50 HZ PHE 50 0.608 15.443 -3.885 396 H CYS 51 H CYS 51 -5.198 10.471 -2.004 397 HA CYS 51 HA CYS 51 -7.266 11.776 -3.555 398 HB2 CYS 51 1HB CYS 51 -5.437 9.761 -4.888 399 HB3 CYS 51 2HB CYS 51 -6.739 10.675 -5.623 400 HG CYS 51 HG CYS 51 -3.692 11.353 -5.112 401 H THR 52 H THR 52 -8.422 9.607 -4.769 402 HA THR 52 HA THR 52 -8.620 7.561 -2.665 403 HB THR 52 HB THR 52 -11.034 8.573 -4.209 404 HG1 THR 52 1HG THR 52 -10.798 10.442 -3.051 405 HG21 THR 52 3HG2 THR 52 -11.007 7.922 -1.273 406 HG22 THR 52 1HG2 THR 52 -12.261 7.587 -2.491 407 HG23 THR 52 2HG2 THR 52 -10.817 6.551 -2.393 408 H ILE 53 H ILE 53 -9.346 5.459 -3.385 409 HA ILE 53 HA ILE 53 -9.264 5.087 -6.272 410 HB ILE 53 HB ILE 53 -7.485 3.669 -6.328 411 HG12 ILE 53 1HG1 ILE 53 -8.014 3.140 -3.406 412 HG13 ILE 53 2HG1 ILE 53 -8.083 2.022 -4.753 413 HG21 ILE 53 1HG2 ILE 53 -5.616 4.670 -5.061 414 HG22 ILE 53 2HG2 ILE 53 -6.651 5.888 -5.842 415 HG23 ILE 53 3HG2 ILE 53 -6.790 5.593 -4.092 416 HD11 ILE 53 3HD1 ILE 53 -5.565 2.440 -5.081 417 HD12 ILE 53 1HD1 ILE 53 -5.603 3.275 -3.510 418 HD13 ILE 53 2HD1 ILE 53 -6.025 1.549 -3.610 419 H GLU 54 H GLU 54 -9.758 2.607 -6.715 420 HA GLU 54 HA GLU 54 -11.776 1.834 -4.755 421 HB2 GLU 54 1HB GLU 54 -12.482 2.769 -7.143 422 HB3 GLU 54 2HB GLU 54 -12.070 1.154 -7.683 423 HG2 GLU 54 1HG GLU 54 -13.632 0.183 -5.989 424 HG3 GLU 54 2HG GLU 54 -14.038 1.796 -5.434 425 HE2 GLU 54 HE GLU 54 -15.846 -0.137 -7.954 426 H VAL 55 H VAL 55 -12.027 -0.441 -4.355 427 HA VAL 55 HA VAL 55 -9.616 -1.913 -4.771 428 HB VAL 55 HB VAL 55 -12.047 -3.263 -3.763 429 HG11 VAL 55 1HG1 VAL 55 -10.421 -3.852 -1.921 430 HG12 VAL 55 2HG1 VAL 55 -9.951 -4.393 -3.550 431 HG13 VAL 55 3HG1 VAL 55 -9.177 -2.961 -2.830 432 HG21 VAL 55 3HG2 VAL 55 -11.043 -0.680 -2.621 433 HG22 VAL 55 1HG2 VAL 55 -12.700 -1.323 -2.714 434 HG23 VAL 55 2HG2 VAL 55 -11.563 -1.966 -1.505 435 H THR 56 H THR 56 -9.430 -3.970 -5.885 436 HA THR 56 HA THR 56 -11.497 -4.347 -7.948 437 HB THR 56 HB THR 56 -9.521 -3.196 -8.913 438 HG1 THR 56 1HG THR 56 -10.614 -4.991 -10.063 439 HG21 THR 56 3HG2 THR 56 -7.326 -4.343 -8.953 440 HG22 THR 56 1HG2 THR 56 -7.789 -4.012 -7.266 441 HG23 THR 56 2HG2 THR 56 -7.972 -5.652 -7.934 442 H ALA 57 H ALA 57 -8.805 -5.818 -6.046 443 HA ALA 57 HA ALA 57 -10.411 -8.220 -5.841 444 HB1 ALA 57 3HB ALA 57 -7.562 -8.365 -6.888 445 HB2 ALA 57 1HB ALA 57 -8.745 -9.687 -6.746 446 HB3 ALA 57 2HB ALA 57 -8.990 -8.398 -7.950 447 H THR 58 H THR 58 -9.176 -9.832 -4.315 448 HA THR 58 HA THR 58 -7.341 -8.487 -2.515 449 HB THR 58 HB THR 58 -10.226 -9.192 -1.869 450 HG1 THR 58 1HG THR 58 -9.598 -6.978 -2.272 451 HG21 THR 58 3HG2 THR 58 -7.802 -9.422 -0.089 452 HG22 THR 58 1HG2 THR 58 -9.224 -8.582 0.574 453 HG23 THR 58 2HG2 THR 58 -9.364 -10.268 0.021 454 H SER 59 H SER 59 -6.154 -9.916 -1.177 455 HA SER 59 HA SER 59 -6.757 -12.697 -1.365 456 HB2 SER 59 1HB SER 59 -4.038 -12.679 -2.128 457 HB3 SER 59 2HB SER 59 -5.402 -13.185 -3.104 458 HG SER 59 HG SER 59 -5.607 -11.020 -3.909 459 H THR 60 H THR 60 -4.914 -13.983 -0.127 460 HA THR 60 HA THR 60 -4.032 -12.268 2.101 461 HB THR 60 HB THR 60 -4.074 -14.777 3.147 462 HG1 THR 60 1HG THR 60 -5.963 -15.800 2.051 463 HG21 THR 60 3HG2 THR 60 -6.519 -14.398 3.741 464 HG22 THR 60 1HG2 THR 60 -5.484 -12.992 4.085 465 HG23 THR 60 2HG2 THR 60 -6.518 -13.003 2.637 466 H VAL 61 H VAL 61 -1.958 -11.704 1.794 467 HA VAL 61 HA VAL 61 -0.037 -13.830 1.678 468 HB VAL 61 HB VAL 61 0.482 -11.865 -0.442 469 HG11 VAL 61 1HG1 VAL 61 0.564 -14.901 -0.382 470 HG12 VAL 61 2HG1 VAL 61 1.272 -13.847 -1.630 471 HG13 VAL 61 3HG1 VAL 61 1.917 -13.820 0.029 472 HG21 VAL 61 3HG2 VAL 61 -1.977 -12.190 -0.700 473 HG22 VAL 61 1HG2 VAL 61 -1.033 -12.792 -2.083 474 HG23 VAL 61 2HG2 VAL 61 -1.691 -13.937 -0.890 475 H THR 62 H THR 62 2.286 -12.703 1.580 476 HA THR 62 HA THR 62 2.280 -10.848 3.751 477 HB THR 62 HB THR 62 4.635 -11.651 1.986 478 HG1 THR 62 1HG THR 62 3.675 -13.633 2.512 479 HG21 THR 62 3HG2 THR 62 5.101 -11.949 4.789 480 HG22 THR 62 1HG2 THR 62 5.801 -10.715 3.715 481 HG23 THR 62 2HG2 THR 62 4.288 -10.378 4.591 482 H LEU 63 H LEU 63 4.653 -9.335 2.762 483 HA LEU 63 HA LEU 63 3.109 -7.376 1.228 484 HB2 LEU 63 1HB LEU 63 4.911 -5.809 2.042 485 HB3 LEU 63 2HB LEU 63 3.775 -6.414 3.231 486 HG LEU 63 HG LEU 63 5.976 -8.207 3.234 487 HD11 LEU 63 1HD1 LEU 63 7.011 -6.037 2.111 488 HD12 LEU 63 2HD1 LEU 63 7.091 -5.499 3.806 489 HD13 LEU 63 3HD1 LEU 63 7.909 -7.000 3.309 490 HD21 LEU 63 3HD2 LEU 63 5.298 -8.099 5.345 491 HD22 LEU 63 1HD2 LEU 63 6.176 -6.558 5.489 492 HD23 LEU 63 2HD2 LEU 63 4.449 -6.561 5.057 493 H ASP 64 H ASP 64 6.588 -8.390 1.549 494 HA ASP 64 HA ASP 64 7.272 -7.480 -0.953 495 HB2 ASP 64 1HB ASP 64 8.553 -8.705 1.213 496 HB3 ASP 64 2HB ASP 64 8.740 -9.895 -0.060 497 HD2 ASP 64 HD ASP 64 9.499 -8.829 -2.122 498 H THR 65 H THR 65 5.169 -9.995 -0.095 499 HA THR 65 HA THR 65 5.916 -11.903 -2.110 500 HB THR 65 HB THR 65 3.492 -12.719 -1.324 501 HG1 THR 65 1HG THR 65 3.130 -10.569 -0.311 502 HG21 THR 65 3HG2 THR 65 5.791 -12.516 0.692 503 HG22 THR 65 1HG2 THR 65 4.448 -13.683 0.743 504 HG23 THR 65 2HG2 THR 65 5.660 -13.777 -0.557 505 H LEU 66 H LEU 66 4.675 -8.824 -2.332 506 HA LEU 66 HA LEU 66 3.959 -9.165 -5.012 507 HB2 LEU 66 1HB LEU 66 1.552 -8.638 -4.856 508 HB3 LEU 66 2HB LEU 66 1.981 -10.243 -4.297 509 HG LEU 66 HG LEU 66 1.934 -9.285 -1.927 510 HD11 LEU 66 1HD1 LEU 66 1.519 -6.871 -3.363 511 HD12 LEU 66 2HD1 LEU 66 0.029 -7.222 -2.455 512 HD13 LEU 66 3HD1 LEU 66 1.587 -7.122 -1.602 513 HD21 LEU 66 3HD2 LEU 66 -0.765 -9.166 -3.254 514 HD22 LEU 66 1HD2 LEU 66 0.148 -10.691 -3.150 515 HD23 LEU 66 2HD2 LEU 66 -0.314 -9.827 -1.664 516 H THR 67 H THR 67 3.496 -7.291 -1.966 517 HA THR 67 HA THR 67 3.025 -4.806 -2.937 518 HB THR 67 HB THR 67 3.532 -5.884 -0.501 519 HG1 THR 67 1HG THR 67 2.555 -3.780 -1.078 520 HG21 THR 67 3HG2 THR 67 5.749 -3.963 -0.401 521 HG22 THR 67 1HG2 THR 67 5.676 -5.617 0.254 522 HG23 THR 67 2HG2 THR 67 6.159 -5.350 -1.439 523 H GLU 68 H GLU 68 4.259 -2.973 -3.565 524 HA GLU 68 HA GLU 68 6.046 -3.449 -5.529 525 HB2 GLU 68 1HB GLU 68 5.265 -1.094 -3.886 526 HB3 GLU 68 2HB GLU 68 6.821 -0.945 -4.678 527 HG2 GLU 68 1HG GLU 68 4.800 -2.088 -6.486 528 HG3 GLU 68 2HG GLU 68 4.289 -0.534 -5.855 529 HE2 GLU 68 HE GLU 68 6.097 -1.738 -8.391 530 H LYS 69 H LYS 69 6.561 -3.560 -2.071 531 HA LYS 69 HA LYS 69 9.194 -2.894 -1.806 532 HB2 LYS 69 1HB LYS 69 7.520 -3.551 -0.021 533 HB3 LYS 69 2HB LYS 69 7.852 -5.225 -0.416 534 HG2 LYS 69 1HG LYS 69 9.389 -4.855 1.314 535 HG3 LYS 69 2HG LYS 69 10.385 -4.551 -0.095 536 HD2 LYS 69 1HD LYS 69 10.661 -2.772 1.631 537 HD3 LYS 69 2HD LYS 69 10.051 -2.122 0.123 538 HE2 LYS 69 1HE LYS 69 7.842 -2.985 1.850 539 HE3 LYS 69 2HE LYS 69 8.879 -1.849 2.689 540 HZ1 LYS 69 2HZ LYS 69 7.050 -0.859 1.255 541 HZ3 LYS 69 1HZ LYS 69 7.909 -1.302 -0.056 542 H HIS 70 H HIS 70 7.736 -5.704 -3.402 543 HA HIS 70 HA HIS 70 10.023 -7.311 -3.415 544 HB2 HIS 70 1HB HIS 70 7.902 -8.293 -3.841 545 HB3 HIS 70 2HB HIS 70 7.556 -7.184 -5.153 546 HD1 HIS 70 1HD HIS 70 7.964 -8.092 -7.444 547 HD2 HIS 70 2HD HIS 70 10.271 -10.049 -4.539 548 HE1 HIS 70 1HE HIS 70 9.201 -9.965 -8.656 549 H ALA 71 H ALA 71 8.671 -5.008 -5.876 550 HA ALA 71 HA ALA 71 10.721 -5.342 -7.727 551 HB1 ALA 71 3HB ALA 71 9.662 -2.643 -7.706 552 HB2 ALA 71 1HB ALA 71 9.369 -3.958 -8.869 553 HB3 ALA 71 2HB ALA 71 8.357 -3.816 -7.412 554 H GLU 72 H GLU 72 10.363 -3.148 -4.889 555 HA GLU 72 HA GLU 72 12.645 -1.661 -5.435 556 HB2 GLU 72 1HB GLU 72 10.627 -1.380 -3.690 557 HB3 GLU 72 2HB GLU 72 11.763 -2.142 -2.595 558 HG2 GLU 72 1HG GLU 72 13.477 -0.402 -3.183 559 HG3 GLU 72 2HG GLU 72 12.317 0.369 -4.247 560 HE2 GLU 72 HE GLU 72 13.152 1.016 -0.876 561 H GLN 73 H GLN 73 12.080 -4.638 -3.468 562 HA GLN 73 HA GLN 73 14.538 -4.811 -2.308 563 HB2 GLN 73 1HB GLN 73 12.277 -6.344 -2.321 564 HB3 GLN 73 2HB GLN 73 13.331 -7.371 -3.272 565 HG2 GLN 73 1HG GLN 73 14.896 -6.423 -1.066 566 HG3 GLN 73 2HG GLN 73 13.348 -6.909 -0.403 567 HE21 GLN 73 2HE2 GLN 73 15.970 -9.713 -0.833 568 HE22 GLN 73 1HE2 GLN 73 16.140 -8.051 -0.379 569 H GLU 74 H GLU 74 13.488 -5.711 -5.618 570 HA GLU 74 HA GLU 74 16.122 -6.758 -6.157 571 HB2 GLU 74 1HB GLU 74 14.373 -8.101 -7.073 572 HB3 GLU 74 2HB GLU 74 13.506 -6.711 -7.693 573 HG2 GLU 74 1HG GLU 74 14.938 -6.448 -9.528 574 HG3 GLU 74 2HG GLU 74 16.310 -7.158 -8.701 575 HE2 GLU 74 HE GLU 74 13.209 -8.259 -10.190 576 H ASN 75 H ASN 75 15.465 -3.813 -5.595 577 HA ASN 75 HA ASN 75 16.736 -2.835 -8.018 578 HB2 ASN 75 1HB ASN 75 14.187 -1.916 -6.740 579 HB3 ASN 75 2HB ASN 75 15.292 -0.628 -7.178 580 HD21 ASN 75 2HD2 ASN 75 15.234 -1.266 -10.702 581 HD22 ASN 75 1HD2 ASN 75 16.268 -0.798 -9.393 582 H MET 76 H MET 76 15.595 -1.852 -4.689 583 HA MET 76 HA MET 76 18.024 -0.335 -4.359 584 HB2 MET 76 1HB MET 76 15.644 -0.736 -2.463 585 HB3 MET 76 2HB MET 76 16.882 0.493 -2.300 586 HG2 MET 76 1HG MET 76 15.049 0.279 -4.735 587 HG3 MET 76 2HG MET 76 14.695 1.296 -3.353 588 HE1 MET 76 3HE MET 76 16.494 2.779 -6.878 589 HE2 MET 76 1HE MET 76 16.993 1.081 -6.691 590 HE3 MET 76 2HE MET 76 15.280 1.531 -6.509 591 H THR 77 H THR 77 18.831 -0.459 -1.839 592 HA THR 77 HA THR 77 19.738 -3.195 -1.565 593 HB THR 77 HB THR 77 21.294 -1.239 -1.405 594 HG1 THR 77 1HG THR 77 22.188 -2.692 0.003 595 HG21 THR 77 3HG2 THR 77 19.521 0.264 -0.202 596 HG22 THR 77 1HG2 THR 77 19.952 -0.642 1.268 597 HG23 THR 77 2HG2 THR 77 21.188 0.318 0.420 598 H LEU 78 H LEU 78 20.025 -3.775 0.994 599 HA LEU 78 HA LEU 78 17.367 -4.372 1.776 600 HB2 LEU 78 1HB LEU 78 20.114 -5.000 2.671 601 HB3 LEU 78 2HB LEU 78 18.879 -5.055 3.913 602 HG LEU 78 HG LEU 78 17.961 -6.445 1.546 603 HD11 LEU 78 1HD1 LEU 78 20.430 -6.694 1.181 604 HD12 LEU 78 2HD1 LEU 78 20.509 -7.571 2.728 605 HD13 LEU 78 3HD1 LEU 78 19.542 -8.223 1.384 606 HD21 LEU 78 3HD2 LEU 78 17.080 -6.678 3.853 607 HD22 LEU 78 1HD2 LEU 78 17.535 -8.230 3.110 608 HD23 LEU 78 2HD2 LEU 78 18.600 -7.478 4.322 609 H THR 79 H THR 79 19.832 -1.953 2.713 610 HA THR 79 HA THR 79 18.623 -1.078 5.071 611 HB THR 79 HB THR 79 20.620 -0.088 3.056 612 HG1 THR 79 1HG THR 79 21.673 -0.839 4.851 613 HG21 THR 79 3HG2 THR 79 19.749 2.079 3.320 614 HG22 THR 79 1HG2 THR 79 18.992 1.690 4.884 615 HG23 THR 79 2HG2 THR 79 20.748 1.966 4.789 616 H GLU 80 H GLU 80 18.259 0.189 1.692 617 HA GLU 80 HA GLU 80 16.426 2.123 2.380 618 HB2 GLU 80 1HB GLU 80 17.552 0.992 -0.025 619 HB3 GLU 80 2HB GLU 80 15.821 1.147 -0.256 620 HG2 GLU 80 1HG GLU 80 16.098 3.558 0.721 621 HG3 GLU 80 2HG GLU 80 17.815 3.333 0.451 622 HE2 GLU 80 HE GLU 80 17.949 4.726 -1.169 623 H LEU 81 H LEU 81 15.934 -1.287 1.255 624 HA LEU 81 HA LEU 81 13.198 -1.272 1.096 625 HB2 LEU 81 1HB LEU 81 15.273 -3.342 1.655 626 HB3 LEU 81 2HB LEU 81 13.588 -3.768 1.883 627 HG LEU 81 HG LEU 81 14.847 -4.163 -0.414 628 HD11 LEU 81 1HD1 LEU 81 12.736 -5.015 -0.387 629 HD12 LEU 81 2HD1 LEU 81 12.005 -3.501 0.197 630 HD13 LEU 81 3HD1 LEU 81 12.478 -3.660 -1.511 631 HD21 LEU 81 3HD2 LEU 81 13.636 -1.454 -0.967 632 HD22 LEU 81 1HD2 LEU 81 15.356 -1.665 -0.561 633 HD23 LEU 81 2HD2 LEU 81 14.681 -2.448 -2.011 634 H LYS 82 H LYS 82 15.297 -1.874 3.984 635 HA LYS 82 HA LYS 82 13.152 -2.331 5.731 636 HB2 LYS 82 1HB LYS 82 15.838 -2.647 5.860 637 HB3 LYS 82 2HB LYS 82 15.673 -1.177 6.801 638 HG2 LYS 82 1HG LYS 82 14.646 -2.256 8.538 639 HG3 LYS 82 2HG LYS 82 13.614 -3.190 7.474 640 HD2 LYS 82 1HD LYS 82 16.160 -4.265 6.990 641 HD3 LYS 82 2HD LYS 82 16.192 -3.933 8.710 642 HE2 LYS 82 1HE LYS 82 15.157 -5.976 8.875 643 HE3 LYS 82 2HE LYS 82 13.706 -5.062 8.515 644 HZ1 LYS 82 2HZ LYS 82 15.387 -6.313 6.411 645 HZ3 LYS 82 1HZ LYS 82 13.923 -5.634 6.198 646 H LYS 83 H LYS 83 14.718 0.606 4.476 647 HA LYS 83 HA LYS 83 13.734 2.373 6.413 648 HB2 LYS 83 1HB LYS 83 15.460 2.533 4.300 649 HB3 LYS 83 2HB LYS 83 14.076 3.395 3.659 650 HG2 LYS 83 1HG LYS 83 14.800 4.066 6.482 651 HG3 LYS 83 2HG LYS 83 15.981 4.537 5.276 652 HD2 LYS 83 1HD LYS 83 14.584 6.110 4.310 653 HD3 LYS 83 2HD LYS 83 13.138 5.161 4.590 654 HE2 LYS 83 1HE LYS 83 12.668 6.490 6.367 655 HE3 LYS 83 2HE LYS 83 14.072 5.831 7.184 656 HZ1 LYS 83 2HZ LYS 83 14.598 7.936 5.232 657 HZ3 LYS 83 1HZ LYS 83 15.309 7.673 6.672 658 H VAL 84 H VAL 84 12.464 1.425 3.147 659 HA VAL 84 HA VAL 84 10.132 2.977 3.395 660 HB VAL 84 HB VAL 84 9.384 1.748 1.454 661 HG11 VAL 84 1HG1 VAL 84 12.355 2.072 1.051 662 HG12 VAL 84 2HG1 VAL 84 11.016 2.478 -0.049 663 HG13 VAL 84 3HG1 VAL 84 11.319 3.478 1.392 664 HG21 VAL 84 3HG2 VAL 84 10.396 -0.211 0.602 665 HG22 VAL 84 1HG2 VAL 84 11.801 -0.057 1.684 666 HG23 VAL 84 2HG2 VAL 84 10.211 -0.502 2.349 667 H ILE 85 H ILE 85 11.006 -0.386 4.291 668 HA ILE 85 HA ILE 85 8.447 -1.317 4.802 669 HB ILE 85 HB ILE 85 11.199 -2.017 5.726 670 HG12 ILE 85 1HG1 ILE 85 9.061 -3.279 4.016 671 HG13 ILE 85 2HG1 ILE 85 10.694 -2.825 3.575 672 HG21 ILE 85 1HG2 ILE 85 9.615 -4.073 6.696 673 HG22 ILE 85 2HG2 ILE 85 10.461 -2.838 7.660 674 HG23 ILE 85 3HG2 ILE 85 8.756 -2.600 7.207 675 HD11 ILE 85 3HD1 ILE 85 11.028 -5.097 3.864 676 HD12 ILE 85 1HD1 ILE 85 11.310 -4.572 5.541 677 HD13 ILE 85 2HD1 ILE 85 9.729 -5.240 5.072 678 H ALA 86 H ALA 86 10.680 0.696 6.752 679 HA ALA 86 HA ALA 86 9.057 0.548 9.091 680 HB1 ALA 86 3HB ALA 86 11.652 1.246 8.528 681 HB2 ALA 86 1HB ALA 86 10.899 2.843 8.751 682 HB3 ALA 86 2HB ALA 86 10.811 1.628 10.049 683 H ASP 87 H ASP 87 9.316 2.655 6.215 684 HA ASP 87 HA ASP 87 7.740 4.705 7.294 685 HB2 ASP 87 1HB ASP 87 9.155 4.144 4.864 686 HB3 ASP 87 2HB ASP 87 7.505 4.509 4.400 687 HD2 ASP 87 HD ASP 87 10.082 6.919 6.074 688 H ILE 88 H ILE 88 7.152 1.587 5.710 689 HA ILE 88 HA ILE 88 4.363 2.239 5.208 690 HB ILE 88 HB ILE 88 6.095 0.879 3.724 691 HG12 ILE 88 1HG1 ILE 88 3.295 -0.193 3.787 692 HG13 ILE 88 2HG1 ILE 88 3.538 1.514 3.475 693 HG21 ILE 88 1HG2 ILE 88 4.865 -1.217 5.530 694 HG22 ILE 88 2HG2 ILE 88 5.607 -1.567 3.951 695 HG23 ILE 88 3HG2 ILE 88 6.593 -0.880 5.264 696 HD11 ILE 88 3HD1 ILE 88 4.864 1.090 1.522 697 HD12 ILE 88 1HD1 ILE 88 5.085 -0.622 1.956 698 HD13 ILE 88 2HD1 ILE 88 3.492 -0.040 1.417 699 H TYR 89 H TYR 89 6.297 -0.296 6.958 700 HA TYR 89 HA TYR 89 5.175 -0.140 9.379 701 HB2 TYR 89 1HB TYR 89 3.311 -1.951 9.123 702 HB3 TYR 89 2HB TYR 89 2.925 -0.378 8.453 703 HD1 TYR 89 2HD TYR 89 4.648 -3.523 7.314 704 HD2 TYR 89 1HD TYR 89 1.893 -0.384 6.383 705 HE1 TYR 89 2HE TYR 89 4.181 -4.592 5.055 706 HE2 TYR 89 1HE TYR 89 1.435 -1.465 4.128 707 HH TYR 89 HH TYR 89 3.355 -3.578 2.721 708 HA PRO 90 HA PRO 90 7.593 -3.695 9.848 709 HB2 PRO 90 2HB PRO 90 7.762 -3.403 12.126 710 HB3 PRO 90 1HB PRO 90 6.678 -4.779 12.184 711 HG2 PRO 90 1HG PRO 90 4.869 -3.458 12.730 712 HG3 PRO 90 2HG PRO 90 6.039 -2.199 13.074 713 HD2 PRO 90 1HD PRO 90 4.085 -2.198 10.974 714 HD3 PRO 90 2HD PRO 90 5.329 -0.996 11.248 715 H GLY 91 H GLY 91 5.021 -5.336 11.469 716 HA2 GLY 91 1HA GLY 91 4.327 -7.474 11.008 717 HA3 GLY 91 2HA GLY 91 3.563 -6.601 9.695 718 H GLN 92 H GLN 92 6.328 -8.651 10.637 719 HA GLN 92 HA GLN 92 7.055 -8.854 7.832 720 HB2 GLN 92 1HB GLN 92 8.965 -8.368 9.184 721 HB3 GLN 92 2HB GLN 92 8.501 -9.525 10.415 722 HG2 GLN 92 1HG GLN 92 9.377 -11.316 9.262 723 HG3 GLN 92 2HG GLN 92 8.856 -10.705 7.704 724 HE21 GLN 92 2HE2 GLN 92 12.649 -10.237 9.008 725 HE22 GLN 92 1HE2 GLN 92 11.431 -11.186 9.793 726 H THR 93 H THR 93 4.607 -10.025 8.411 727 HA THR 93 HA THR 93 5.214 -12.803 7.890 728 HB THR 93 HB THR 93 3.906 -13.651 9.773 729 HG1 THR 93 1HG THR 93 2.933 -11.971 11.186 730 HG21 THR 93 3HG2 THR 93 6.266 -12.933 10.384 731 HG22 THR 93 1HG2 THR 93 5.612 -11.343 10.843 732 HG23 THR 93 2HG2 THR 93 5.120 -12.799 11.740 733 H GLN 94 H GLN 94 3.456 -13.954 6.919 734 HA GLN 94 HA GLN 94 2.150 -12.699 5.020 735 HB2 GLN 94 1HB GLN 94 1.354 -15.107 6.669 736 HB3 GLN 94 2HB GLN 94 0.292 -14.548 5.393 737 HG2 GLN 94 1HG GLN 94 1.781 -15.118 3.698 738 HG3 GLN 94 2HG GLN 94 3.197 -14.811 4.684 739 HE21 GLN 94 2HE2 GLN 94 1.647 -18.523 4.273 740 HE22 GLN 94 1HE2 GLN 94 1.112 -17.120 3.411 741 H PHE 95 H PHE 95 0.067 -11.720 4.643 742 HA PHE 95 HA PHE 95 -1.670 -11.269 6.874 743 HB2 PHE 95 1HB PHE 95 0.242 -9.211 5.698 744 HB3 PHE 95 2HB PHE 95 -1.340 -8.654 6.205 745 HD1 PHE 95 1HD PHE 95 -1.908 -10.015 8.651 746 HD2 PHE 95 2HD PHE 95 1.829 -8.582 7.240 747 HE1 PHE 95 1HE PHE 95 -1.087 -9.830 11.015 748 HE2 PHE 95 2HE PHE 95 2.650 -8.397 9.605 749 HZ PHE 95 HZ PHE 95 1.183 -9.023 11.464 750 H TYR 96 H TYR 96 -3.349 -9.373 6.033 751 HA TYR 96 HA TYR 96 -4.492 -10.533 3.691 752 HB2 TYR 96 1HB TYR 96 -5.096 -8.736 5.942 753 HB3 TYR 96 2HB TYR 96 -5.646 -7.985 4.457 754 HD1 TYR 96 1HD TYR 96 -7.316 -9.195 3.000 755 HD2 TYR 96 2HD TYR 96 -6.271 -10.575 6.913 756 HE1 TYR 96 1HE TYR 96 -9.417 -10.626 3.064 757 HE2 TYR 96 2HE TYR 96 -8.375 -12.002 6.964 758 HH TYR 96 HH TYR 96 -10.884 -11.592 4.747 759 H VAL 97 H VAL 97 -4.805 -9.603 1.634 760 HA VAL 97 HA VAL 97 -3.342 -7.106 1.164 761 HB VAL 97 HB VAL 97 -3.170 -9.690 -0.391 762 HG11 VAL 97 1HG1 VAL 97 -3.292 -7.232 -1.574 763 HG12 VAL 97 2HG1 VAL 97 -1.543 -7.392 -1.289 764 HG13 VAL 97 3HG1 VAL 97 -2.408 -8.629 -2.232 765 HG21 VAL 97 3HG2 VAL 97 -1.528 -8.442 1.635 766 HG22 VAL 97 1HG2 VAL 97 -1.349 -10.031 0.853 767 HG23 VAL 97 2HG2 VAL 97 -0.623 -8.586 0.109 768 H ILE 98 H ILE 98 -4.459 -5.627 -0.049 769 HA ILE 98 HA ILE 98 -6.872 -6.629 -1.389 770 HB ILE 98 HB ILE 98 -6.737 -3.927 -0.094 771 HG12 ILE 98 1HG1 ILE 98 -6.185 -5.419 1.713 772 HG13 ILE 98 2HG1 ILE 98 -7.844 -4.887 1.899 773 HG21 ILE 98 1HG2 ILE 98 -8.903 -3.757 -0.633 774 HG22 ILE 98 2HG2 ILE 98 -8.559 -5.074 -1.780 775 HG23 ILE 98 3HG2 ILE 98 -9.254 -5.444 -0.184 776 HD11 ILE 98 3HD1 ILE 98 -6.959 -7.544 1.884 777 HD12 ILE 98 1HD1 ILE 98 -8.647 -7.005 1.719 778 HD13 ILE 98 2HD1 ILE 98 -7.671 -7.327 0.267 779 H GLU 99 H GLU 99 -6.973 -6.158 -3.524 780 HA GLU 99 HA GLU 99 -4.922 -4.375 -4.514 781 HB2 GLU 99 1HB GLU 99 -5.578 -6.827 -5.382 782 HB3 GLU 99 2HB GLU 99 -6.748 -5.935 -6.333 783 HG2 GLU 99 1HG GLU 99 -4.957 -4.536 -7.305 784 HG3 GLU 99 2HG GLU 99 -3.761 -5.299 -6.277 785 HE2 GLU 99 HE GLU 99 -3.737 -5.761 -9.372 786 H PHE 100 H PHE 100 -5.488 -2.781 -6.256 787 HA PHE 100 HA PHE 100 -8.285 -2.015 -6.312 788 HB2 PHE 100 1HB PHE 100 -7.641 0.322 -5.647 789 HB3 PHE 100 2HB PHE 100 -7.231 -0.808 -4.372 790 HD1 PHE 100 2HD PHE 100 -5.712 0.840 -7.353 791 HD2 PHE 100 1HD PHE 100 -5.096 -0.766 -3.474 792 HE1 PHE 100 2HE PHE 100 -3.339 1.656 -7.392 793 HE2 PHE 100 1HE PHE 100 -2.723 0.050 -3.513 794 HZ PHE 100 HZ PHE 100 -1.873 1.252 -5.471 795 H LYS 101 H LYS 101 -8.589 -0.100 -7.901 796 HA LYS 101 HA LYS 101 -6.481 -0.075 -9.921 797 HB2 LYS 101 1HB LYS 101 -7.625 -1.341 -11.342 798 HB3 LYS 101 2HB LYS 101 -8.905 -1.553 -10.165 799 HG2 LYS 101 1HG LYS 101 -10.103 0.383 -10.955 800 HG3 LYS 101 2HG LYS 101 -8.722 0.968 -11.861 801 HD2 LYS 101 1HD LYS 101 -8.899 -1.235 -13.236 802 HD3 LYS 101 2HD LYS 101 -10.468 -1.448 -12.486 803 HE2 LYS 101 1HE LYS 101 -11.342 -0.107 -14.095 804 HE3 LYS 101 2HE LYS 101 -10.488 1.238 -13.364 805 HZ1 LYS 101 2HZ LYS 101 -8.763 1.052 -14.892 806 HZ3 LYS 101 1HZ LYS 101 -10.017 0.615 -15.834 807 H CYS 102 H CYS 102 -6.247 1.903 -10.963 808 HA CYS 102 HA CYS 102 -7.784 4.039 -9.751 809 HB2 CYS 102 1HB CYS 102 -5.460 4.460 -9.679 810 HB3 CYS 102 2HB CYS 102 -5.215 3.953 -11.338 811 HG CYS 102 HG CYS 102 -5.340 6.121 -12.263 812 H LEU 103 H LEU 103 -9.488 4.981 -10.833 813 HA LEU 103 HA LEU 103 -10.117 4.046 -13.462 814 HB2 LEU 103 1HB LEU 103 -11.505 6.213 -11.896 815 HB3 LEU 103 2HB LEU 103 -12.157 5.230 -13.191 816 HG LEU 103 HG LEU 103 -11.214 3.879 -10.684 817 HD11 LEU 103 1HD1 LEU 103 -12.973 5.992 -10.493 818 HD12 LEU 103 2HD1 LEU 103 -14.054 4.584 -10.626 819 HD13 LEU 103 3HD1 LEU 103 -12.824 4.644 -9.341 820 HD21 LEU 103 3HD2 LEU 103 -13.562 3.280 -12.498 821 HD22 LEU 103 1HD2 LEU 103 -11.929 2.608 -12.719 822 HD23 LEU 103 2HD2 LEU 103 -12.853 2.233 -11.244 Start of MODEL 16 1 H1 MET 1 1H MET 1 -14.580 13.129 12.400 2 HA MET 1 HA MET 1 -15.902 11.681 11.444 3 HB2 MET 1 1HB MET 1 -17.147 14.377 10.875 4 HB3 MET 1 2HB MET 1 -17.873 12.994 10.080 5 HG2 MET 1 1HG MET 1 -17.715 11.942 12.563 6 HG3 MET 1 2HG MET 1 -17.728 13.633 13.023 7 HE1 MET 1 3HE MET 1 -21.286 14.111 13.430 8 HE2 MET 1 1HE MET 1 -19.632 14.073 14.087 9 HE3 MET 1 2HE MET 1 -20.047 15.216 12.787 10 H GLN 2 H GLN 2 -13.657 11.702 9.969 11 HA GLN 2 HA GLN 2 -14.467 10.764 7.530 12 HB2 GLN 2 1HB GLN 2 -14.700 13.464 7.374 13 HB3 GLN 2 2HB GLN 2 -13.008 13.317 6.940 14 HG2 GLN 2 1HG GLN 2 -13.489 11.931 5.044 15 HG3 GLN 2 2HG GLN 2 -15.105 11.560 5.614 16 HE21 GLN 2 2HE2 GLN 2 -16.151 13.890 3.208 17 HE22 GLN 2 1HE2 GLN 2 -15.947 12.221 3.625 18 HA PRO 3 HA PRO 3 -10.201 10.013 8.967 19 HB2 PRO 3 2HB PRO 3 -10.602 8.654 10.782 20 HB3 PRO 3 1HB PRO 3 -10.454 7.367 9.601 21 HG2 PRO 3 1HG PRO 3 -12.730 7.008 9.557 22 HG3 PRO 3 2HG PRO 3 -12.795 7.979 11.014 23 HD2 PRO 3 1HD PRO 3 -13.901 8.650 8.454 24 HD3 PRO 3 2HD PRO 3 -13.864 9.669 9.879 25 H ASN 4 H ASN 4 -8.539 8.309 8.200 26 HA ASN 4 HA ASN 4 -9.103 8.114 5.383 27 HB2 ASN 4 1HB ASN 4 -6.919 8.952 5.691 28 HB3 ASN 4 2HB ASN 4 -6.639 7.990 7.129 29 HD21 ASN 4 2HD2 ASN 4 -5.076 5.358 5.525 30 HD22 ASN 4 1HD2 ASN 4 -5.525 6.181 6.981 31 H ASP 5 H ASP 5 -8.499 5.993 4.241 32 HA ASP 5 HA ASP 5 -9.480 3.811 5.831 33 HB2 ASP 5 1HB ASP 5 -8.795 4.112 2.873 34 HB3 ASP 5 2HB ASP 5 -9.334 2.596 3.566 35 HD2 ASP 5 HD ASP 5 -11.893 5.664 3.602 36 H ILE 6 H ILE 6 -6.687 4.586 3.615 37 HA ILE 6 HA ILE 6 -4.858 3.247 5.345 38 HB ILE 6 HB ILE 6 -5.543 1.237 4.438 39 HG12 ILE 6 1HG1 ILE 6 -3.418 1.863 2.408 40 HG13 ILE 6 2HG1 ILE 6 -3.028 1.934 4.115 41 HG21 ILE 6 1HG2 ILE 6 -5.762 2.625 1.755 42 HG22 ILE 6 2HG2 ILE 6 -5.940 0.871 2.003 43 HG23 ILE 6 3HG2 ILE 6 -7.085 1.999 2.768 44 HD11 ILE 6 3HD1 ILE 6 -4.283 -0.470 2.710 45 HD12 ILE 6 1HD1 ILE 6 -2.569 -0.319 3.164 46 HD13 ILE 6 2HD1 ILE 6 -3.821 -0.393 4.427 47 H THR 7 H THR 7 -2.714 3.891 4.928 48 HA THR 7 HA THR 7 -2.514 5.962 2.848 49 HB THR 7 HB THR 7 -0.490 6.590 4.431 50 HG1 THR 7 1HG THR 7 -0.534 4.721 5.762 51 HG21 THR 7 3HG2 THR 7 -2.174 8.186 4.699 52 HG22 THR 7 1HG2 THR 7 -3.440 6.954 4.919 53 HG23 THR 7 2HG2 THR 7 -2.344 7.353 6.263 54 H PHE 8 H PHE 8 -0.092 6.254 2.121 55 HA PHE 8 HA PHE 8 1.298 3.743 1.916 56 HB2 PHE 8 1HB PHE 8 0.299 5.262 -0.562 57 HB3 PHE 8 2HB PHE 8 1.136 3.722 -0.564 58 HD1 PHE 8 1HD PHE 8 -0.033 1.668 0.036 59 HD2 PHE 8 2HD PHE 8 -2.060 5.396 -0.005 60 HE1 PHE 8 1HE PHE 8 -2.238 0.470 0.079 61 HE2 PHE 8 2HE PHE 8 -4.265 4.197 0.038 62 HZ PHE 8 HZ PHE 8 -4.327 1.748 0.079 63 H PHE 9 H PHE 9 3.486 4.099 1.787 64 HA PHE 9 HA PHE 9 4.641 6.442 2.304 65 HB2 PHE 9 1HB PHE 9 5.609 4.045 1.987 66 HB3 PHE 9 2HB PHE 9 5.681 4.383 0.269 67 HD1 PHE 9 2HD PHE 9 6.433 6.885 2.872 68 HD2 PHE 9 1HD PHE 9 8.041 4.170 0.035 69 HE1 PHE 9 2HE PHE 9 8.702 7.917 3.171 70 HE2 PHE 9 1HE PHE 9 10.310 5.202 0.333 71 HZ PHE 9 HZ PHE 9 10.613 7.064 1.898 72 H GLN 10 H GLN 10 6.053 7.912 0.945 73 HA GLN 10 HA GLN 10 4.502 9.141 -0.971 74 HB2 GLN 10 1HB GLN 10 6.344 10.201 0.379 75 HB3 GLN 10 2HB GLN 10 7.522 9.353 -0.602 76 HG2 GLN 10 1HG GLN 10 5.859 10.562 -2.512 77 HG3 GLN 10 2HG GLN 10 5.941 11.764 -1.239 78 HE21 GLN 10 2HE2 GLN 10 8.861 12.957 -2.700 79 HE22 GLN 10 1HE2 GLN 10 7.203 13.212 -2.268 80 H ARG 11 H ARG 11 7.315 6.889 -1.285 81 HA ARG 11 HA ARG 11 7.586 7.060 -3.996 82 HB2 ARG 11 1HB ARG 11 7.982 4.606 -2.208 83 HB3 ARG 11 2HB ARG 11 8.657 4.790 -3.815 84 HG2 ARG 11 1HG ARG 11 9.707 7.015 -2.875 85 HG3 ARG 11 2HG ARG 11 9.348 6.342 -1.298 86 HD2 ARG 11 1HD ARG 11 10.951 4.674 -1.482 87 HD3 ARG 11 2HD ARG 11 10.715 4.483 -3.208 88 HE ARG 11 HE ARG 11 12.729 6.083 -1.990 89 HH11 ARG 11 2HH2 ARG 11 10.353 6.346 -4.606 90 HH12 ARG 11 1HH2 ARG 11 11.295 7.481 -5.515 91 HH21 ARG 11 1HH ARG 11 13.419 8.192 -4.663 92 H PHE 12 H PHE 12 5.338 5.123 -1.971 93 HA PHE 12 HA PHE 12 4.407 3.437 -3.992 94 HB2 PHE 12 1HB PHE 12 3.620 4.455 -1.268 95 HB3 PHE 12 2HB PHE 12 2.292 3.815 -2.215 96 HD1 PHE 12 2HD PHE 12 5.769 2.884 -1.213 97 HD2 PHE 12 1HD PHE 12 1.822 1.564 -2.040 98 HE1 PHE 12 2HE PHE 12 6.406 0.554 -0.532 99 HE2 PHE 12 1HE PHE 12 2.459 -0.767 -1.359 100 HZ PHE 12 HZ PHE 12 4.743 -1.244 -0.614 101 H GLN 13 H GLN 13 3.395 6.714 -2.891 102 HA GLN 13 HA GLN 13 1.057 6.773 -4.398 103 HB2 GLN 13 1HB GLN 13 2.587 8.569 -2.706 104 HB3 GLN 13 2HB GLN 13 2.062 9.433 -4.137 105 HG2 GLN 13 1HG GLN 13 -0.080 7.720 -3.075 106 HG3 GLN 13 2HG GLN 13 0.501 8.842 -1.861 107 HE21 GLN 13 2HE2 GLN 13 -0.192 11.789 -3.925 108 HE22 GLN 13 1HE2 GLN 13 1.123 11.079 -3.047 109 H ASP 14 H ASP 14 4.367 8.138 -5.028 110 HA ASP 14 HA ASP 14 3.792 9.210 -7.477 111 HB2 ASP 14 1HB ASP 14 5.888 9.680 -6.326 112 HB3 ASP 14 2HB ASP 14 6.349 7.990 -6.351 113 HD2 ASP 14 HD ASP 14 6.461 10.227 -9.643 114 H ASP 15 H ASP 15 4.931 5.911 -6.502 115 HA ASP 15 HA ASP 15 5.445 4.885 -8.963 116 HB2 ASP 15 1HB ASP 15 4.809 3.872 -6.279 117 HB3 ASP 15 2HB ASP 15 4.185 2.799 -7.516 118 HD2 ASP 15 HD ASP 15 7.277 2.269 -8.957 119 H ILE 16 H ILE 16 2.341 5.065 -7.093 120 HA ILE 16 HA ILE 16 0.770 3.617 -8.874 121 HB ILE 16 HB ILE 16 0.129 5.780 -6.876 122 HG12 ILE 16 1HG1 ILE 16 -0.525 2.855 -6.626 123 HG13 ILE 16 2HG1 ILE 16 1.094 3.421 -6.265 124 HG21 ILE 16 1HG2 ILE 16 -2.168 4.221 -7.361 125 HG22 ILE 16 2HG2 ILE 16 -1.916 5.946 -7.716 126 HG23 ILE 16 3HG2 ILE 16 -1.555 4.721 -8.956 127 HD11 ILE 16 3HD1 ILE 16 -0.828 3.362 -4.390 128 HD12 ILE 16 1HD1 ILE 16 0.420 4.631 -4.401 129 HD13 ILE 16 2HD1 ILE 16 -1.195 4.965 -5.072 130 H LEU 17 H LEU 17 1.616 7.120 -8.719 131 HA LEU 17 HA LEU 17 -0.087 7.942 -10.759 132 HB2 LEU 17 1HB LEU 17 0.715 9.904 -10.173 133 HB3 LEU 17 2HB LEU 17 1.768 9.082 -9.039 134 HG LEU 17 HG LEU 17 3.366 8.863 -11.125 135 HD11 LEU 17 1HD1 LEU 17 1.795 9.720 -12.776 136 HD12 LEU 17 2HD1 LEU 17 1.673 11.259 -11.889 137 HD13 LEU 17 3HD1 LEU 17 3.215 10.786 -12.644 138 HD21 LEU 17 3HD2 LEU 17 4.338 10.010 -9.428 139 HD22 LEU 17 1HD2 LEU 17 4.066 11.378 -10.534 140 HD23 LEU 17 2HD2 LEU 17 2.936 11.081 -9.192 141 H ALA 18 H ALA 18 3.090 6.329 -10.792 142 HA ALA 18 HA ALA 18 3.148 6.589 -13.706 143 HB1 ALA 18 3HB ALA 18 5.112 6.992 -11.868 144 HB2 ALA 18 1HB ALA 18 5.370 5.269 -12.228 145 HB3 ALA 18 2HB ALA 18 5.422 6.470 -13.541 146 H GLY 19 H GLY 19 1.366 4.804 -11.860 147 HA2 GLY 19 1HA GLY 19 1.854 2.349 -13.396 148 HA3 GLY 19 2HA GLY 19 1.781 2.249 -11.648 149 H ARG 20 H ARG 20 -0.226 3.076 -10.538 150 HA ARG 20 HA ARG 20 -2.380 3.537 -10.434 151 HB2 ARG 20 1HB ARG 20 -2.108 4.335 -12.969 152 HB3 ARG 20 2HB ARG 20 -2.920 2.825 -13.333 153 HG2 ARG 20 1HG ARG 20 -4.690 4.406 -13.140 154 HG3 ARG 20 2HG ARG 20 -4.722 3.538 -11.617 155 HD2 ARG 20 1HD ARG 20 -2.881 5.820 -11.472 156 HD3 ARG 20 2HD ARG 20 -4.478 6.342 -11.971 157 HE ARG 20 HE ARG 20 -4.534 4.479 -9.710 158 HH11 ARG 20 2HH2 ARG 20 -4.243 7.886 -10.638 159 HH12 ARG 20 1HH2 ARG 20 -4.780 8.478 -9.101 160 HH21 ARG 20 1HH ARG 20 -5.362 6.917 -7.379 161 H LYS 21 H LYS 21 -0.895 0.911 -10.321 162 HA LYS 21 HA LYS 21 -3.163 -0.754 -9.973 163 HB2 LYS 21 1HB LYS 21 -2.255 -0.735 -12.579 164 HB3 LYS 21 2HB LYS 21 -1.396 -2.101 -11.899 165 HG2 LYS 21 1HG LYS 21 -3.373 -3.269 -11.372 166 HG3 LYS 21 2HG LYS 21 -4.340 -1.811 -11.285 167 HD2 LYS 21 1HD LYS 21 -3.540 -1.727 -13.922 168 HD3 LYS 21 2HD LYS 21 -3.602 -3.459 -13.662 169 HE2 LYS 21 1HE LYS 21 -5.856 -3.380 -13.900 170 HE3 LYS 21 2HE LYS 21 -5.954 -2.434 -12.429 171 HZ1 LYS 21 2HZ LYS 21 -5.151 -0.683 -14.437 172 HZ3 LYS 21 1HZ LYS 21 -6.606 -0.722 -13.706 173 H THR 22 H THR 22 -2.520 -1.180 -7.894 174 HA THR 22 HA THR 22 -0.222 -2.895 -7.604 175 HB THR 22 HB THR 22 -0.316 -0.036 -6.561 176 HG1 THR 22 1HG THR 22 1.218 -0.129 -8.156 177 HG21 THR 22 3HG2 THR 22 1.120 -2.463 -5.401 178 HG22 THR 22 1HG2 THR 22 1.828 -0.834 -5.286 179 HG23 THR 22 2HG2 THR 22 0.253 -1.175 -4.529 180 H ILE 23 H ILE 23 -0.143 -3.944 -5.494 181 HA ILE 23 HA ILE 23 -2.836 -4.009 -4.344 182 HB ILE 23 HB ILE 23 -1.000 -6.142 -3.585 183 HG12 ILE 23 1HG1 ILE 23 -1.378 -7.189 -5.979 184 HG13 ILE 23 2HG1 ILE 23 -1.403 -5.513 -6.491 185 HG21 ILE 23 1HG2 ILE 23 -2.898 -7.327 -3.501 186 HG22 ILE 23 2HG2 ILE 23 -3.703 -5.748 -3.660 187 HG23 ILE 23 3HG2 ILE 23 -3.444 -6.763 -5.099 188 HD11 ILE 23 3HD1 ILE 23 0.881 -7.118 -5.912 189 HD12 ILE 23 1HD1 ILE 23 0.850 -5.390 -6.339 190 HD13 ILE 23 2HD1 ILE 23 0.790 -5.886 -4.630 191 H THR 24 H THR 24 -2.991 -4.308 -1.957 192 HA THR 24 HA THR 24 -0.690 -3.105 -0.572 193 HB THR 24 HB THR 24 -2.200 -1.613 0.592 194 HG1 THR 24 1HG THR 24 -4.265 -2.371 0.847 195 HG21 THR 24 3HG2 THR 24 -1.853 -0.760 -1.696 196 HG22 THR 24 1HG2 THR 24 -3.101 -1.861 -2.326 197 HG23 THR 24 2HG2 THR 24 -3.559 -0.518 -1.251 198 H ILE 25 H ILE 25 -1.059 -3.345 1.936 199 HA ILE 25 HA ILE 25 -2.183 -6.008 2.419 200 HB ILE 25 HB ILE 25 0.493 -5.028 3.418 201 HG12 ILE 25 1HG1 ILE 25 1.143 -7.159 1.955 202 HG13 ILE 25 2HG1 ILE 25 -0.294 -6.697 1.064 203 HG21 ILE 25 1HG2 ILE 25 -0.286 -7.880 3.611 204 HG22 ILE 25 2HG2 ILE 25 0.638 -6.855 4.735 205 HG23 ILE 25 3HG2 ILE 25 -1.138 -6.755 4.695 206 HD11 ILE 25 3HD1 ILE 25 1.082 -5.251 -0.038 207 HD12 ILE 25 1HD1 ILE 25 0.955 -4.243 1.424 208 HD13 ILE 25 2HD1 ILE 25 2.335 -5.350 1.223 209 H ARG 26 H ARG 26 -3.183 -6.280 4.438 210 HA ARG 26 HA ARG 26 -3.075 -3.975 6.182 211 HB2 ARG 26 1HB ARG 26 -5.787 -5.055 6.128 212 HB3 ARG 26 2HB ARG 26 -5.262 -3.402 5.874 213 HG2 ARG 26 1HG ARG 26 -5.012 -5.520 3.697 214 HG3 ARG 26 2HG ARG 26 -6.473 -4.573 3.903 215 HD2 ARG 26 1HD ARG 26 -4.120 -2.828 3.925 216 HD3 ARG 26 2HD ARG 26 -4.131 -3.819 2.480 217 HE ARG 26 HE ARG 26 -6.142 -2.774 1.770 218 HH11 ARG 26 2HH2 ARG 26 -5.271 -1.713 5.037 219 HH12 ARG 26 1HH2 ARG 26 -6.400 -0.400 5.046 220 HH21 ARG 26 1HH ARG 26 -7.777 -0.023 3.121 221 H ASP 27 H ASP 27 -4.413 -4.591 8.335 222 HA ASP 27 HA ASP 27 -3.469 -7.241 9.016 223 HB2 ASP 27 1HB ASP 27 -2.684 -5.537 10.524 224 HB3 ASP 27 2HB ASP 27 -4.264 -4.785 10.622 225 HD2 ASP 27 HD ASP 27 -3.581 -8.322 11.467 226 H GLU 28 H GLU 28 -4.962 -8.897 9.462 227 HA GLU 28 HA GLU 28 -7.592 -8.607 8.766 228 HB2 GLU 28 1HB GLU 28 -6.599 -10.793 8.781 229 HB3 GLU 28 2HB GLU 28 -6.146 -10.667 10.469 230 HG2 GLU 28 1HG GLU 28 -8.130 -12.111 10.238 231 HG3 GLU 28 2HG GLU 28 -8.547 -10.662 11.132 232 HE2 GLU 28 HE GLU 28 -10.800 -9.586 8.745 233 H SER 29 H SER 29 -5.978 -8.307 11.961 234 HA SER 29 HA SER 29 -8.281 -8.277 13.486 235 HB2 SER 29 1HB SER 29 -6.555 -8.385 14.956 236 HB3 SER 29 2HB SER 29 -5.436 -7.651 13.824 237 HG SER 29 HG SER 29 -7.296 -6.293 15.578 238 H GLU 30 H GLU 30 -7.142 -6.058 11.126 239 HA GLU 30 HA GLU 30 -8.842 -3.986 12.282 240 HB2 GLU 30 1HB GLU 30 -6.133 -3.853 11.043 241 HB3 GLU 30 2HB GLU 30 -7.246 -2.602 10.525 242 HG2 GLU 30 1HG GLU 30 -7.458 -1.692 12.682 243 HG3 GLU 30 2HG GLU 30 -7.068 -3.204 13.478 244 HE2 GLU 30 HE GLU 30 -5.874 -0.350 12.401 245 H SER 31 H SER 31 -9.010 -6.411 10.191 246 HA SER 31 HA SER 31 -9.363 -5.624 7.695 247 HB2 SER 31 1HB SER 31 -10.020 -7.794 7.756 248 HB3 SER 31 2HB SER 31 -10.540 -7.671 9.425 249 HG SER 31 HG SER 31 -12.589 -7.205 8.819 250 H HIS 32 H HIS 32 -10.313 -3.808 6.845 251 HA HIS 32 HA HIS 32 -12.791 -2.911 8.123 252 HB2 HIS 32 1HB HIS 32 -12.250 -0.679 7.251 253 HB3 HIS 32 2HB HIS 32 -11.026 -1.285 8.349 254 HD1 HIS 32 1HD HIS 32 -9.677 0.721 6.948 255 HD2 HIS 32 2HD HIS 32 -10.409 -2.909 4.977 256 HE1 HIS 32 1HE HIS 32 -8.052 0.634 4.982 257 H PHE 33 H PHE 33 -12.544 -1.120 5.390 258 HA PHE 33 HA PHE 33 -14.682 -2.099 4.104 259 HB2 PHE 33 1HB PHE 33 -12.118 -1.090 2.744 260 HB3 PHE 33 2HB PHE 33 -13.753 -0.868 2.154 261 HD1 PHE 33 1HD PHE 33 -15.327 0.604 3.507 262 HD2 PHE 33 2HD PHE 33 -11.141 0.483 4.192 263 HE1 PHE 33 1HE PHE 33 -15.458 2.810 4.698 264 HE2 PHE 33 2HE PHE 33 -11.272 2.688 5.384 265 HZ PHE 33 HZ PHE 33 -13.428 3.825 5.623 266 H LYS 34 H LYS 34 -14.744 -3.108 1.794 267 HA LYS 34 HA LYS 34 -12.815 -5.314 1.663 268 HB2 LYS 34 1HB LYS 34 -14.560 -6.880 1.168 269 HB3 LYS 34 2HB LYS 34 -14.956 -6.074 2.672 270 HG2 LYS 34 1HG LYS 34 -16.795 -5.008 1.781 271 HG3 LYS 34 2HG LYS 34 -16.017 -4.722 0.237 272 HD2 LYS 34 1HD LYS 34 -17.156 -6.470 -0.647 273 HD3 LYS 34 2HD LYS 34 -16.321 -7.555 0.447 274 HE2 LYS 34 1HE LYS 34 -18.539 -7.962 1.062 275 HE3 LYS 34 2HE LYS 34 -18.116 -6.715 2.218 276 HZ1 LYS 34 2HZ LYS 34 -18.966 -5.219 0.174 277 HZ3 LYS 34 1HZ LYS 34 -19.967 -5.742 1.347 278 H THR 35 H THR 35 -13.885 -6.461 -0.723 279 HA THR 35 HA THR 35 -12.786 -4.618 -2.614 280 HB THR 35 HB THR 35 -14.225 -7.270 -3.109 281 HG1 THR 35 1HG THR 35 -12.534 -8.073 -1.933 282 HG21 THR 35 3HG2 THR 35 -11.733 -6.920 -4.510 283 HG22 THR 35 1HG2 THR 35 -13.366 -7.030 -5.210 284 HG23 THR 35 2HG2 THR 35 -12.695 -5.444 -4.760 285 H GLY 36 H GLY 36 -13.815 -3.747 -4.498 286 HA2 GLY 36 1HA GLY 36 -15.594 -2.994 -5.718 287 HA3 GLY 36 2HA GLY 36 -16.707 -3.782 -4.617 288 H ASP 37 H ASP 37 -14.891 -2.387 -2.369 289 HA ASP 37 HA ASP 37 -16.637 -0.126 -2.218 290 HB2 ASP 37 1HB ASP 37 -14.929 -1.699 -0.401 291 HB3 ASP 37 2HB ASP 37 -14.769 0.022 -0.110 292 HD2 ASP 37 HD ASP 37 -18.076 0.390 0.930 293 H VAL 38 H VAL 38 -15.052 1.794 -0.888 294 HA VAL 38 HA VAL 38 -13.086 2.460 -2.964 295 HB VAL 38 HB VAL 38 -15.210 3.920 -1.614 296 HG11 VAL 38 1HG1 VAL 38 -13.403 4.807 -0.237 297 HG12 VAL 38 2HG1 VAL 38 -12.455 5.196 -1.692 298 HG13 VAL 38 3HG1 VAL 38 -13.981 6.052 -1.370 299 HG21 VAL 38 3HG2 VAL 38 -13.465 4.729 -3.959 300 HG22 VAL 38 1HG2 VAL 38 -14.857 3.628 -4.089 301 HG23 VAL 38 2HG2 VAL 38 -15.100 5.311 -3.564 302 H LEU 39 H LEU 39 -11.051 3.411 -2.291 303 HA LEU 39 HA LEU 39 -10.436 2.926 0.535 304 HB2 LEU 39 1HB LEU 39 -9.044 1.905 -1.910 305 HB3 LEU 39 2HB LEU 39 -8.106 2.274 -0.476 306 HG LEU 39 HG LEU 39 -10.499 0.430 -0.394 307 HD11 LEU 39 1HD1 LEU 39 -7.832 -0.822 -0.407 308 HD12 LEU 39 2HD1 LEU 39 -9.354 -1.335 -1.174 309 HD13 LEU 39 3HD1 LEU 39 -8.332 -0.106 -1.958 310 HD21 LEU 39 3HD2 LEU 39 -8.147 0.894 1.453 311 HD22 LEU 39 1HD2 LEU 39 -9.868 1.218 1.769 312 HD23 LEU 39 2HD2 LEU 39 -9.292 -0.459 1.614 313 H ARG 40 H ARG 40 -9.996 4.860 1.438 314 HA ARG 40 HA ARG 40 -9.344 7.058 -0.170 315 HB2 ARG 40 1HB ARG 40 -10.362 6.710 2.378 316 HB3 ARG 40 2HB ARG 40 -8.727 7.218 2.751 317 HG2 ARG 40 1HG ARG 40 -9.070 9.357 1.985 318 HG3 ARG 40 2HG ARG 40 -10.015 8.825 0.608 319 HD2 ARG 40 1HD ARG 40 -11.113 8.767 3.455 320 HD3 ARG 40 2HD ARG 40 -11.278 10.169 2.416 321 HE ARG 40 HE ARG 40 -12.166 7.692 1.133 322 HH11 ARG 40 2HH2 ARG 40 -13.158 10.357 3.248 323 HH12 ARG 40 1HH2 ARG 40 -14.844 10.171 2.898 324 HH21 ARG 40 1HH ARG 40 -15.546 8.454 1.380 325 H VAL 41 H VAL 41 -7.343 7.285 -1.133 326 HA VAL 41 HA VAL 41 -5.041 6.048 0.079 327 HB VAL 41 HB VAL 41 -5.552 7.581 -2.467 328 HG11 VAL 41 1HG1 VAL 41 -3.263 7.200 -3.136 329 HG12 VAL 41 2HG1 VAL 41 -3.267 8.080 -1.589 330 HG13 VAL 41 3HG1 VAL 41 -2.916 6.335 -1.620 331 HG21 VAL 41 3HG2 VAL 41 -6.376 5.213 -2.237 332 HG22 VAL 41 1HG2 VAL 41 -5.222 5.477 -3.567 333 HG23 VAL 41 2HG2 VAL 41 -4.679 4.706 -2.057 334 H GLY 42 H GLY 42 -3.290 7.099 1.040 335 HA2 GLY 42 1HA GLY 42 -3.227 10.001 1.102 336 HA3 GLY 42 2HA GLY 42 -3.605 9.227 2.628 337 H ARG 43 H ARG 43 -1.172 10.794 1.738 338 HA ARG 43 HA ARG 43 0.892 8.903 1.450 339 HB2 ARG 43 1HB ARG 43 0.592 11.750 1.295 340 HB3 ARG 43 2HB ARG 43 1.828 11.458 2.503 341 HG2 ARG 43 1HG ARG 43 2.833 9.776 0.742 342 HG3 ARG 43 2HG ARG 43 1.811 10.609 -0.413 343 HD2 ARG 43 1HD ARG 43 3.403 12.407 1.362 344 HD3 ARG 43 2HD ARG 43 4.358 11.419 0.276 345 HE ARG 43 HE ARG 43 2.307 12.450 -1.327 346 HH11 ARG 43 2HH2 ARG 43 4.870 13.831 0.694 347 HH12 ARG 43 1HH2 ARG 43 5.015 15.271 -0.258 348 HH21 ARG 43 1HH ARG 43 3.611 15.555 -2.179 349 H PHE 44 H PHE 44 2.048 7.828 3.048 350 HA PHE 44 HA PHE 44 1.134 7.910 5.693 351 HB2 PHE 44 1HB PHE 44 2.612 6.239 4.070 352 HB3 PHE 44 2HB PHE 44 3.923 6.981 4.965 353 HD1 PHE 44 1HD PHE 44 3.475 7.053 7.616 354 HD2 PHE 44 2HD PHE 44 1.746 4.280 4.910 355 HE1 PHE 44 1HE PHE 44 3.095 5.446 9.506 356 HE2 PHE 44 2HE PHE 44 1.366 2.672 6.800 357 HZ PHE 44 HZ PHE 44 2.045 3.275 9.075 358 H GLU 45 H GLU 45 3.603 9.735 3.937 359 HA GLU 45 HA GLU 45 5.353 10.400 5.851 360 HB2 GLU 45 1HB GLU 45 4.333 11.634 3.386 361 HB3 GLU 45 2HB GLU 45 4.881 12.839 4.533 362 HG2 GLU 45 1HG GLU 45 7.003 11.307 4.798 363 HG3 GLU 45 2HG GLU 45 6.467 10.555 3.309 364 HE2 GLU 45 HE GLU 45 8.010 12.905 1.495 365 H ASP 46 H ASP 46 2.105 11.903 5.289 366 HA ASP 46 HA ASP 46 1.454 12.232 7.862 367 HB2 ASP 46 1HB ASP 46 1.887 14.881 7.929 368 HB3 ASP 46 2HB ASP 46 3.059 13.743 8.562 369 HD2 ASP 46 HD ASP 46 2.363 15.757 5.863 370 H ASP 47 H ASP 47 1.667 13.674 4.595 371 HA ASP 47 HA ASP 47 -0.275 15.441 4.463 372 HB2 ASP 47 1HB ASP 47 1.024 13.689 2.643 373 HB3 ASP 47 2HB ASP 47 -0.686 13.482 2.318 374 HD2 ASP 47 HD ASP 47 1.345 16.819 1.838 375 H GLY 48 H GLY 48 -0.782 11.846 4.066 376 HA2 GLY 48 1HA GLY 48 -2.564 10.527 4.426 377 HA3 GLY 48 2HA GLY 48 -3.043 11.657 5.677 378 H TYR 49 H TYR 49 -4.862 10.216 3.926 379 HA TYR 49 HA TYR 49 -6.459 10.510 2.369 380 HB2 TYR 49 1HB TYR 49 -7.535 11.500 4.296 381 HB3 TYR 49 2HB TYR 49 -6.430 12.860 4.318 382 HD1 TYR 49 2HD TYR 49 -8.998 11.370 2.010 383 HD2 TYR 49 1HD TYR 49 -7.281 14.917 3.677 384 HE1 TYR 49 2HE TYR 49 -10.707 12.788 0.773 385 HE2 TYR 49 1HE TYR 49 -8.997 16.322 2.434 386 HH TYR 49 HH TYR 49 -11.679 14.845 0.780 387 H PHE 50 H PHE 50 -5.017 10.715 0.484 388 HA PHE 50 HA PHE 50 -4.601 13.463 -0.392 389 HB2 PHE 50 1HB PHE 50 -2.932 11.348 -0.372 390 HB3 PHE 50 2HB PHE 50 -3.796 10.888 -1.825 391 HD1 PHE 50 2HD PHE 50 -4.174 13.263 -3.336 392 HD2 PHE 50 1HD PHE 50 -0.868 12.216 -0.890 393 HE1 PHE 50 2HE PHE 50 -2.694 14.768 -4.693 394 HE2 PHE 50 1HE PHE 50 0.612 13.722 -2.247 395 HZ PHE 50 HZ PHE 50 -0.318 14.980 -4.132 396 H CYS 51 H CYS 51 -6.106 10.339 -1.435 397 HA CYS 51 HA CYS 51 -8.085 11.817 -2.875 398 HB2 CYS 51 1HB CYS 51 -7.453 10.183 -4.944 399 HB3 CYS 51 2HB CYS 51 -6.944 11.856 -4.822 400 HG CYS 51 HG CYS 51 -4.597 11.550 -4.509 401 H THR 52 H THR 52 -9.297 9.772 -4.284 402 HA THR 52 HA THR 52 -9.498 7.568 -2.343 403 HB THR 52 HB THR 52 -11.883 8.723 -3.838 404 HG1 THR 52 1HG THR 52 -12.053 10.176 -2.021 405 HG21 THR 52 3HG2 THR 52 -11.369 6.894 -1.518 406 HG22 THR 52 1HG2 THR 52 -12.680 8.077 -1.294 407 HG23 THR 52 2HG2 THR 52 -12.744 6.925 -2.649 408 H ILE 53 H ILE 53 -9.800 5.505 -3.159 409 HA ILE 53 HA ILE 53 -9.916 5.312 -6.075 410 HB ILE 53 HB ILE 53 -8.113 3.805 -6.192 411 HG12 ILE 53 1HG1 ILE 53 -6.779 3.233 -4.089 412 HG13 ILE 53 2HG1 ILE 53 -8.155 3.806 -3.168 413 HG21 ILE 53 1HG2 ILE 53 -7.593 6.260 -6.043 414 HG22 ILE 53 2HG2 ILE 53 -7.163 5.997 -4.336 415 HG23 ILE 53 3HG2 ILE 53 -6.249 5.171 -5.621 416 HD11 ILE 53 3HD1 ILE 53 -8.708 1.859 -5.393 417 HD12 ILE 53 1HD1 ILE 53 -7.934 1.237 -3.916 418 HD13 ILE 53 2HD1 ILE 53 -9.519 2.042 -3.819 419 H GLU 54 H GLU 54 -10.261 2.843 -6.661 420 HA GLU 54 HA GLU 54 -12.197 1.853 -4.715 421 HB2 GLU 54 1HB GLU 54 -12.490 2.487 -7.517 422 HB3 GLU 54 2HB GLU 54 -12.714 0.760 -7.322 423 HG2 GLU 54 1HG GLU 54 -14.249 1.446 -5.277 424 HG3 GLU 54 2HG GLU 54 -14.280 3.021 -6.044 425 HE2 GLU 54 HE GLU 54 -15.956 3.189 -7.289 426 H VAL 55 H VAL 55 -12.233 -0.414 -4.276 427 HA VAL 55 HA VAL 55 -9.715 -1.685 -4.618 428 HB VAL 55 HB VAL 55 -12.079 -3.240 -3.746 429 HG11 VAL 55 1HG1 VAL 55 -10.480 -3.702 -1.822 430 HG12 VAL 55 2HG1 VAL 55 -9.949 -4.243 -3.432 431 HG13 VAL 55 3HG1 VAL 55 -9.269 -2.759 -2.723 432 HG21 VAL 55 3HG2 VAL 55 -11.723 -1.915 -1.446 433 HG22 VAL 55 1HG2 VAL 55 -11.369 -0.587 -2.578 434 HG23 VAL 55 2HG2 VAL 55 -12.937 -1.428 -2.653 435 H THR 56 H THR 56 -9.202 -3.556 -5.850 436 HA THR 56 HA THR 56 -11.113 -4.064 -8.035 437 HB THR 56 HB THR 56 -9.014 -2.857 -8.706 438 HG1 THR 56 1HG THR 56 -10.072 -4.535 -10.061 439 HG21 THR 56 3HG2 THR 56 -7.544 -3.999 -6.902 440 HG22 THR 56 1HG2 THR 56 -7.585 -5.446 -7.938 441 HG23 THR 56 2HG2 THR 56 -6.856 -3.939 -8.542 442 H ALA 57 H ALA 57 -8.594 -5.522 -5.896 443 HA ALA 57 HA ALA 57 -10.192 -7.928 -5.816 444 HB1 ALA 57 3HB ALA 57 -8.265 -7.781 -7.771 445 HB2 ALA 57 1HB ALA 57 -7.351 -8.495 -6.421 446 HB3 ALA 57 2HB ALA 57 -8.829 -9.290 -7.015 447 H THR 58 H THR 58 -9.072 -9.544 -4.225 448 HA THR 58 HA THR 58 -7.230 -8.334 -2.377 449 HB THR 58 HB THR 58 -10.204 -8.598 -1.811 450 HG1 THR 58 1HG THR 58 -9.730 -6.455 -1.126 451 HG21 THR 58 3HG2 THR 58 -9.460 -9.759 0.117 452 HG22 THR 58 1HG2 THR 58 -7.877 -8.944 0.109 453 HG23 THR 58 2HG2 THR 58 -9.330 -8.063 0.642 454 H SER 59 H SER 59 -6.096 -9.839 -1.207 455 HA SER 59 HA SER 59 -7.133 -12.474 -0.973 456 HB2 SER 59 1HB SER 59 -4.622 -13.023 -2.139 457 HB3 SER 59 2HB SER 59 -6.198 -13.367 -2.824 458 HG SER 59 HG SER 59 -5.268 -12.093 -4.367 459 H THR 60 H THR 60 -5.446 -13.916 0.219 460 HA THR 60 HA THR 60 -4.074 -12.204 2.149 461 HB THR 60 HB THR 60 -3.954 -14.611 3.277 462 HG1 THR 60 1HG THR 60 -4.642 -15.786 1.403 463 HG21 THR 60 3HG2 THR 60 -6.822 -14.088 3.103 464 HG22 THR 60 1HG2 THR 60 -5.736 -13.862 4.495 465 HG23 THR 60 2HG2 THR 60 -5.938 -12.556 3.303 466 H VAL 61 H VAL 61 -1.960 -11.819 2.048 467 HA VAL 61 HA VAL 61 -0.168 -13.914 1.291 468 HB VAL 61 HB VAL 61 0.367 -11.614 -0.413 469 HG11 VAL 61 1HG1 VAL 61 -0.090 -14.457 -1.311 470 HG12 VAL 61 2HG1 VAL 61 1.042 -13.239 -1.948 471 HG13 VAL 61 3HG1 VAL 61 1.359 -14.014 -0.377 472 HG21 VAL 61 3HG2 VAL 61 -1.392 -11.892 -2.022 473 HG22 VAL 61 1HG2 VAL 61 -2.089 -13.253 -1.111 474 HG23 VAL 61 2HG2 VAL 61 -2.149 -11.606 -0.437 475 H THR 62 H THR 62 2.193 -12.858 1.219 476 HA THR 62 HA THR 62 2.407 -11.428 3.704 477 HB THR 62 HB THR 62 4.697 -12.030 1.806 478 HG1 THR 62 1HG THR 62 4.458 -14.262 2.693 479 HG21 THR 62 3HG2 THR 62 4.462 -11.322 4.555 480 HG22 THR 62 1HG2 THR 62 4.824 -13.065 4.542 481 HG23 THR 62 2HG2 THR 62 5.923 -11.922 3.733 482 H LEU 63 H LEU 63 4.836 -9.942 2.951 483 HA LEU 63 HA LEU 63 3.437 -7.656 1.789 484 HB2 LEU 63 1HB LEU 63 5.352 -6.375 2.752 485 HB3 LEU 63 2HB LEU 63 4.290 -7.152 3.909 486 HG LEU 63 HG LEU 63 6.317 -9.032 3.464 487 HD11 LEU 63 1HD1 LEU 63 7.657 -7.339 2.321 488 HD12 LEU 63 2HD1 LEU 63 7.524 -6.264 3.733 489 HD13 LEU 63 3HD1 LEU 63 8.397 -7.809 3.870 490 HD21 LEU 63 3HD2 LEU 63 5.428 -8.880 5.599 491 HD22 LEU 63 1HD2 LEU 63 7.054 -8.184 5.804 492 HD23 LEU 63 2HD2 LEU 63 5.637 -7.114 5.678 493 H ASP 64 H ASP 64 6.819 -8.996 1.741 494 HA ASP 64 HA ASP 64 7.472 -7.749 -0.620 495 HB2 ASP 64 1HB ASP 64 8.795 -9.271 1.240 496 HB3 ASP 64 2HB ASP 64 8.692 -10.430 -0.071 497 HD2 ASP 64 HD ASP 64 11.526 -9.645 -0.835 498 H THR 65 H THR 65 5.227 -10.240 -0.028 499 HA THR 65 HA THR 65 5.696 -11.840 -2.355 500 HB THR 65 HB THR 65 3.269 -12.597 -1.599 501 HG1 THR 65 1HG THR 65 2.720 -10.883 -0.219 502 HG21 THR 65 3HG2 THR 65 5.694 -12.780 0.265 503 HG22 THR 65 1HG2 THR 65 4.209 -13.741 0.459 504 HG23 THR 65 2HG2 THR 65 5.231 -13.963 -0.981 505 H LEU 66 H LEU 66 4.728 -8.667 -2.037 506 HA LEU 66 HA LEU 66 3.888 -8.532 -4.706 507 HB2 LEU 66 1HB LEU 66 1.539 -7.660 -4.128 508 HB3 LEU 66 2HB LEU 66 1.813 -9.385 -4.268 509 HG LEU 66 HG LEU 66 2.212 -9.108 -1.615 510 HD11 LEU 66 1HD1 LEU 66 0.119 -7.011 -2.250 511 HD12 LEU 66 2HD1 LEU 66 0.654 -7.546 -0.639 512 HD13 LEU 66 3HD1 LEU 66 1.778 -6.668 -1.703 513 HD21 LEU 66 3HD2 LEU 66 -0.397 -9.559 -1.507 514 HD22 LEU 66 1HD2 LEU 66 -0.200 -9.702 -3.271 515 HD23 LEU 66 2HD2 LEU 66 0.737 -10.754 -2.183 516 H THR 67 H THR 67 3.778 -7.107 -1.399 517 HA THR 67 HA THR 67 3.510 -4.471 -1.952 518 HB THR 67 HB THR 67 4.009 -5.917 0.259 519 HG1 THR 67 1HG THR 67 4.947 -3.180 -0.240 520 HG21 THR 67 3HG2 THR 67 6.204 -6.077 0.887 521 HG22 THR 67 1HG2 THR 67 6.631 -5.653 -0.788 522 HG23 THR 67 2HG2 THR 67 6.504 -4.378 0.448 523 H GLU 68 H GLU 68 4.964 -2.672 -2.270 524 HA GLU 68 HA GLU 68 6.505 -2.938 -4.468 525 HB2 GLU 68 1HB GLU 68 6.199 -0.911 -2.313 526 HB3 GLU 68 2HB GLU 68 7.700 -0.793 -3.210 527 HG2 GLU 68 1HG GLU 68 5.641 -1.253 -5.146 528 HG3 GLU 68 2HG GLU 68 5.018 -0.041 -4.044 529 HE2 GLU 68 HE GLU 68 8.600 0.018 -5.289 530 H LYS 69 H LYS 69 7.268 -3.849 -1.177 531 HA LYS 69 HA LYS 69 9.979 -3.592 -1.057 532 HB2 LYS 69 1HB LYS 69 8.414 -4.398 0.735 533 HB3 LYS 69 2HB LYS 69 8.382 -5.963 -0.051 534 HG2 LYS 69 1HG LYS 69 11.035 -5.761 0.073 535 HG3 LYS 69 2HG LYS 69 10.698 -4.586 1.329 536 HD2 LYS 69 1HD LYS 69 9.538 -6.207 2.686 537 HD3 LYS 69 2HD LYS 69 9.418 -7.348 1.362 538 HE2 LYS 69 1HE LYS 69 11.952 -7.526 1.355 539 HE3 LYS 69 2HE LYS 69 11.992 -6.492 2.769 540 HZ1 LYS 69 2HZ LYS 69 10.418 -9.003 2.730 541 HZ3 LYS 69 1HZ LYS 69 10.850 -8.130 4.035 542 H HIS 70 H HIS 70 8.024 -5.766 -3.058 543 HA HIS 70 HA HIS 70 10.146 -7.532 -3.664 544 HB2 HIS 70 1HB HIS 70 8.023 -8.433 -3.950 545 HB3 HIS 70 2HB HIS 70 7.399 -7.004 -4.749 546 HD1 HIS 70 1HD HIS 70 9.643 -10.006 -5.418 547 HD2 HIS 70 2HD HIS 70 7.582 -7.017 -7.519 548 HE1 HIS 70 1HE HIS 70 9.781 -10.642 -7.886 549 H ALA 71 H ALA 71 8.555 -4.834 -5.512 550 HA ALA 71 HA ALA 71 10.309 -4.912 -7.666 551 HB1 ALA 71 3HB ALA 71 9.401 -2.705 -8.176 552 HB2 ALA 71 1HB ALA 71 8.097 -3.753 -7.570 553 HB3 ALA 71 2HB ALA 71 8.818 -2.524 -6.504 554 H GLU 72 H GLU 72 10.363 -2.915 -4.636 555 HA GLU 72 HA GLU 72 12.685 -1.564 -5.294 556 HB2 GLU 72 1HB GLU 72 10.838 -1.490 -3.232 557 HB3 GLU 72 2HB GLU 72 12.260 -2.094 -2.404 558 HG2 GLU 72 1HG GLU 72 13.413 -0.116 -2.644 559 HG3 GLU 72 2HG GLU 72 12.805 0.166 -4.263 560 HE2 GLU 72 HE GLU 72 11.817 2.711 -2.434 561 H GLN 73 H GLN 73 12.111 -4.657 -3.531 562 HA GLN 73 HA GLN 73 14.603 -5.083 -2.562 563 HB2 GLN 73 1HB GLN 73 13.051 -6.677 -1.886 564 HB3 GLN 73 2HB GLN 73 12.366 -6.860 -3.488 565 HG2 GLN 73 1HG GLN 73 14.181 -8.239 -4.237 566 HG3 GLN 73 2HG GLN 73 15.209 -7.763 -2.900 567 HE21 GLN 73 2HE2 GLN 73 12.572 -10.858 -2.621 568 HE22 GLN 73 1HE2 GLN 73 12.777 -9.881 -4.037 569 H GLU 74 H GLU 74 13.374 -5.536 -5.903 570 HA GLU 74 HA GLU 74 16.017 -6.461 -6.669 571 HB2 GLU 74 1HB GLU 74 13.271 -6.901 -7.667 572 HB3 GLU 74 2HB GLU 74 14.414 -6.556 -8.950 573 HG2 GLU 74 1HG GLU 74 15.888 -8.324 -7.440 574 HG3 GLU 74 2HG GLU 74 14.269 -8.913 -7.120 575 HE2 GLU 74 HE GLU 74 15.721 -10.271 -10.308 576 H ASN 75 H ASN 75 15.524 -3.670 -5.881 577 HA ASN 75 HA ASN 75 16.424 -2.484 -8.347 578 HB2 ASN 75 1HB ASN 75 13.794 -1.980 -7.162 579 HB3 ASN 75 2HB ASN 75 14.744 -0.508 -7.131 580 HD21 ASN 75 2HD2 ASN 75 12.890 -1.553 -10.461 581 HD22 ASN 75 1HD2 ASN 75 12.518 -2.025 -8.836 582 H MET 76 H MET 76 15.332 -1.683 -4.953 583 HA MET 76 HA MET 76 17.640 0.015 -4.661 584 HB2 MET 76 1HB MET 76 15.324 -0.642 -2.755 585 HB3 MET 76 2HB MET 76 16.514 0.615 -2.482 586 HG2 MET 76 1HG MET 76 14.663 0.530 -4.913 587 HG3 MET 76 2HG MET 76 14.326 1.454 -3.462 588 HE1 MET 76 3HE MET 76 15.065 4.468 -4.333 589 HE2 MET 76 1HE MET 76 14.971 3.947 -6.033 590 HE3 MET 76 2HE MET 76 13.920 3.192 -4.811 591 H THR 77 H THR 77 18.532 -0.118 -2.160 592 HA THR 77 HA THR 77 19.679 -2.776 -2.016 593 HB THR 77 HB THR 77 21.102 -0.738 -1.859 594 HG1 THR 77 1HG THR 77 22.192 -1.691 -0.117 595 HG21 THR 77 3HG2 THR 77 19.064 0.407 -0.388 596 HG22 THR 77 1HG2 THR 77 20.147 -0.148 0.911 597 HG23 THR 77 2HG2 THR 77 20.753 0.968 -0.336 598 H LEU 78 H LEU 78 20.153 -3.239 0.609 599 HA LEU 78 HA LEU 78 17.616 -4.196 1.442 600 HB2 LEU 78 1HB LEU 78 20.299 -4.812 1.889 601 HB3 LEU 78 2HB LEU 78 19.712 -4.275 3.450 602 HG LEU 78 HG LEU 78 17.699 -5.969 2.683 603 HD11 LEU 78 1HD1 LEU 78 19.728 -7.892 2.095 604 HD12 LEU 78 2HD1 LEU 78 18.315 -7.416 1.123 605 HD13 LEU 78 3HD1 LEU 78 19.859 -6.551 0.932 606 HD21 LEU 78 3HD2 LEU 78 18.262 -6.462 4.786 607 HD22 LEU 78 1HD2 LEU 78 19.399 -7.633 4.077 608 HD23 LEU 78 2HD2 LEU 78 19.964 -6.009 4.535 609 H THR 79 H THR 79 19.804 -1.515 2.429 610 HA THR 79 HA THR 79 18.418 -0.758 4.726 611 HB THR 79 HB THR 79 20.187 0.691 2.701 612 HG1 THR 79 1HG THR 79 21.528 -0.474 4.027 613 HG21 THR 79 3HG2 THR 79 20.405 2.119 5.043 614 HG22 THR 79 1HG2 THR 79 19.385 2.635 3.678 615 HG23 THR 79 2HG2 THR 79 18.663 1.758 5.048 616 H GLU 80 H GLU 80 17.964 0.242 1.286 617 HA GLU 80 HA GLU 80 16.020 2.120 1.827 618 HB2 GLU 80 1HB GLU 80 16.964 0.590 -0.547 619 HB3 GLU 80 2HB GLU 80 15.325 1.199 -0.673 620 HG2 GLU 80 1HG GLU 80 17.320 2.737 -1.434 621 HG3 GLU 80 2HG GLU 80 15.994 3.448 -0.536 622 HE2 GLU 80 HE GLU 80 17.030 4.187 2.024 623 H LEU 81 H LEU 81 15.827 -1.433 1.295 624 HA LEU 81 HA LEU 81 13.042 -1.582 1.122 625 HB2 LEU 81 1HB LEU 81 15.231 -3.514 1.814 626 HB3 LEU 81 2HB LEU 81 13.551 -3.990 1.953 627 HG LEU 81 HG LEU 81 15.085 -4.270 -0.282 628 HD11 LEU 81 1HD1 LEU 81 13.091 -5.507 0.022 629 HD12 LEU 81 2HD1 LEU 81 12.085 -4.039 0.007 630 HD13 LEU 81 3HD1 LEU 81 12.882 -4.587 -1.487 631 HD21 LEU 81 3HD2 LEU 81 15.147 -1.805 -0.599 632 HD22 LEU 81 1HD2 LEU 81 14.421 -2.686 -1.965 633 HD23 LEU 81 2HD2 LEU 81 13.379 -1.823 -0.808 634 H LYS 82 H LYS 82 15.320 -1.497 3.890 635 HA LYS 82 HA LYS 82 13.318 -2.112 5.807 636 HB2 LYS 82 1HB LYS 82 16.054 -2.092 5.784 637 HB3 LYS 82 2HB LYS 82 15.717 -0.628 6.687 638 HG2 LYS 82 1HG LYS 82 15.341 -1.923 8.510 639 HG3 LYS 82 2HG LYS 82 13.885 -2.507 7.728 640 HD2 LYS 82 1HD LYS 82 15.276 -4.287 6.576 641 HD3 LYS 82 2HD LYS 82 16.669 -3.742 7.488 642 HE2 LYS 82 1HE LYS 82 15.580 -4.308 9.615 643 HE3 LYS 82 2HE LYS 82 14.071 -4.668 8.799 644 HZ1 LYS 82 2HZ LYS 82 15.984 -6.238 7.557 645 HZ3 LYS 82 1HZ LYS 82 14.839 -6.756 8.592 646 H LYS 83 H LYS 83 14.444 0.803 4.143 647 HA LYS 83 HA LYS 83 13.328 2.624 6.009 648 HB2 LYS 83 1HB LYS 83 15.063 2.775 3.863 649 HB3 LYS 83 2HB LYS 83 13.623 3.553 3.237 650 HG2 LYS 83 1HG LYS 83 13.969 4.484 5.934 651 HG3 LYS 83 2HG LYS 83 15.538 4.574 5.159 652 HD2 LYS 83 1HD LYS 83 14.479 5.811 3.229 653 HD3 LYS 83 2HD LYS 83 12.946 5.777 4.076 654 HE2 LYS 83 1HE LYS 83 15.060 6.783 5.836 655 HE3 LYS 83 2HE LYS 83 15.011 7.710 4.349 656 HZ1 LYS 83 2HZ LYS 83 12.639 8.088 4.712 657 HZ3 LYS 83 1HZ LYS 83 13.462 8.583 6.027 658 H VAL 84 H VAL 84 12.257 1.369 2.774 659 HA VAL 84 HA VAL 84 9.785 2.700 2.861 660 HB VAL 84 HB VAL 84 9.248 1.415 0.947 661 HG11 VAL 84 1HG1 VAL 84 11.888 2.599 1.251 662 HG12 VAL 84 2HG1 VAL 84 11.879 1.337 -0.005 663 HG13 VAL 84 3HG1 VAL 84 10.741 2.702 -0.107 664 HG21 VAL 84 3HG2 VAL 84 11.415 -0.512 1.841 665 HG22 VAL 84 1HG2 VAL 84 9.667 -0.824 1.713 666 HG23 VAL 84 2HG2 VAL 84 10.634 -0.558 0.243 667 H ILE 85 H ILE 85 10.919 -0.528 3.964 668 HA ILE 85 HA ILE 85 8.378 -1.555 4.531 669 HB ILE 85 HB ILE 85 11.182 -2.185 5.363 670 HG12 ILE 85 1HG1 ILE 85 9.926 -2.808 3.123 671 HG13 ILE 85 2HG1 ILE 85 11.031 -3.926 3.898 672 HG21 ILE 85 1HG2 ILE 85 10.256 -2.779 7.379 673 HG22 ILE 85 2HG2 ILE 85 8.667 -3.155 6.670 674 HG23 ILE 85 3HG2 ILE 85 10.030 -4.279 6.449 675 HD11 ILE 85 3HD1 ILE 85 8.203 -4.056 4.855 676 HD12 ILE 85 1HD1 ILE 85 8.487 -4.592 3.182 677 HD13 ILE 85 2HD1 ILE 85 9.355 -5.373 4.526 678 H ALA 86 H ALA 86 10.668 0.498 6.377 679 HA ALA 86 HA ALA 86 9.088 0.352 8.761 680 HB1 ALA 86 3HB ALA 86 11.431 0.659 9.041 681 HB2 ALA 86 1HB ALA 86 11.482 1.975 7.844 682 HB3 ALA 86 2HB ALA 86 10.704 2.238 9.423 683 H ASP 87 H ASP 87 9.050 2.151 5.768 684 HA ASP 87 HA ASP 87 7.676 4.372 6.923 685 HB2 ASP 87 1HB ASP 87 9.082 3.820 4.505 686 HB3 ASP 87 2HB ASP 87 7.429 4.139 4.019 687 HD2 ASP 87 HD ASP 87 6.559 6.101 4.903 688 H ILE 88 H ILE 88 7.018 1.274 5.317 689 HA ILE 88 HA ILE 88 4.273 1.952 4.739 690 HB ILE 88 HB ILE 88 5.881 0.470 3.371 691 HG12 ILE 88 1HG1 ILE 88 3.255 -0.895 3.738 692 HG13 ILE 88 2HG1 ILE 88 3.220 0.811 3.337 693 HG21 ILE 88 1HG2 ILE 88 4.949 -1.526 5.451 694 HG22 ILE 88 2HG2 ILE 88 5.733 -1.937 3.908 695 HG23 ILE 88 3HG2 ILE 88 6.622 -1.007 5.138 696 HD11 ILE 88 3HD1 ILE 88 5.175 -0.199 1.605 697 HD12 ILE 88 1HD1 ILE 88 3.948 -1.487 1.652 698 HD13 ILE 88 2HD1 ILE 88 3.487 0.164 1.175 699 H TYR 89 H TYR 89 6.009 -0.479 6.814 700 HA TYR 89 HA TYR 89 4.625 0.024 9.119 701 HB2 TYR 89 1HB TYR 89 2.934 -1.897 8.982 702 HB3 TYR 89 2HB TYR 89 2.578 -0.605 7.854 703 HD1 TYR 89 2HD TYR 89 4.293 -3.922 8.069 704 HD2 TYR 89 1HD TYR 89 2.310 -1.072 5.569 705 HE1 TYR 89 2HE TYR 89 4.306 -5.587 6.147 706 HE2 TYR 89 1HE TYR 89 2.330 -2.747 3.656 707 HH TYR 89 HH TYR 89 2.488 -5.035 3.271 708 HA PRO 90 HA PRO 90 7.612 -2.961 10.137 709 HB2 PRO 90 2HB PRO 90 8.284 -1.756 11.981 710 HB3 PRO 90 1HB PRO 90 7.320 -2.931 12.854 711 HG2 PRO 90 1HG PRO 90 5.614 -1.421 13.204 712 HG3 PRO 90 2HG PRO 90 6.759 -0.189 12.714 713 HD2 PRO 90 1HD PRO 90 4.378 -0.972 11.319 714 HD3 PRO 90 2HD PRO 90 5.584 0.177 10.772 715 H GLY 91 H GLY 91 7.959 -5.109 11.068 716 HA2 GLY 91 1HA GLY 91 7.015 -7.043 12.014 717 HA3 GLY 91 2HA GLY 91 5.411 -6.479 11.593 718 H GLN 92 H GLN 92 7.650 -8.780 10.824 719 HA GLN 92 HA GLN 92 6.974 -8.706 7.991 720 HB2 GLN 92 1HB GLN 92 9.446 -8.813 8.901 721 HB3 GLN 92 2HB GLN 92 9.094 -10.505 9.192 722 HG2 GLN 92 1HG GLN 92 8.256 -10.563 6.715 723 HG3 GLN 92 2HG GLN 92 9.072 -9.023 6.535 724 HE21 GLN 92 2HE2 GLN 92 11.090 -12.535 6.500 725 HE22 GLN 92 1HE2 GLN 92 9.366 -12.384 6.572 726 H THR 93 H THR 93 4.803 -9.558 8.398 727 HA THR 93 HA THR 93 4.854 -12.459 8.641 728 HB THR 93 HB THR 93 3.228 -12.490 10.438 729 HG1 THR 93 1HG THR 93 1.961 -10.674 10.675 730 HG21 THR 93 3HG2 THR 93 4.314 -11.323 12.271 731 HG22 THR 93 1HG2 THR 93 5.615 -11.835 11.170 732 HG23 THR 93 2HG2 THR 93 5.054 -10.146 11.161 733 H GLN 94 H GLN 94 2.969 -13.500 7.750 734 HA GLN 94 HA GLN 94 2.083 -12.126 5.476 735 HB2 GLN 94 1HB GLN 94 2.300 -14.765 6.201 736 HB3 GLN 94 2HB GLN 94 0.568 -14.542 6.349 737 HG2 GLN 94 1HG GLN 94 1.561 -13.275 3.901 738 HG3 GLN 94 2HG GLN 94 2.041 -14.960 3.959 739 HE21 GLN 94 2HE2 GLN 94 -1.023 -15.958 2.715 740 HE22 GLN 94 1HE2 GLN 94 0.708 -15.997 2.670 741 H PHE 95 H PHE 95 -0.082 -11.436 4.907 742 HA PHE 95 HA PHE 95 -2.140 -11.504 6.875 743 HB2 PHE 95 1HB PHE 95 -1.970 -8.738 6.440 744 HB3 PHE 95 2HB PHE 95 -1.424 -9.543 7.898 745 HD1 PHE 95 2HD PHE 95 0.110 -9.600 4.506 746 HD2 PHE 95 1HD PHE 95 0.457 -8.331 8.541 747 HE1 PHE 95 2HE PHE 95 2.453 -8.820 4.059 748 HE2 PHE 95 1HE PHE 95 2.800 -7.551 8.094 749 HZ PHE 95 HZ PHE 95 3.770 -7.804 5.858 750 H TYR 96 H TYR 96 -3.932 -9.709 6.037 751 HA TYR 96 HA TYR 96 -4.685 -10.664 3.503 752 HB2 TYR 96 1HB TYR 96 -5.544 -8.822 5.683 753 HB3 TYR 96 2HB TYR 96 -6.042 -8.229 4.111 754 HD1 TYR 96 2HD TYR 96 -5.870 -11.676 5.601 755 HD2 TYR 96 1HD TYR 96 -8.292 -8.663 3.768 756 HE1 TYR 96 2HE TYR 96 -7.866 -13.251 5.633 757 HE2 TYR 96 1HE TYR 96 -10.279 -10.248 3.805 758 HH TYR 96 HH TYR 96 -10.717 -12.581 3.880 759 H VAL 97 H VAL 97 -4.909 -9.542 1.482 760 HA VAL 97 HA VAL 97 -3.312 -7.093 1.285 761 HB VAL 97 HB VAL 97 -3.115 -9.576 -0.425 762 HG11 VAL 97 1HG1 VAL 97 -2.051 -8.440 -2.092 763 HG12 VAL 97 2HG1 VAL 97 -3.102 -7.124 -1.517 764 HG13 VAL 97 3HG1 VAL 97 -1.403 -7.201 -0.991 765 HG21 VAL 97 3HG2 VAL 97 -0.566 -8.741 0.281 766 HG22 VAL 97 1HG2 VAL 97 -1.523 -8.430 1.750 767 HG23 VAL 97 2HG2 VAL 97 -1.488 -10.062 1.039 768 H ILE 98 H ILE 98 -4.455 -5.482 0.344 769 HA ILE 98 HA ILE 98 -6.776 -6.301 -1.259 770 HB ILE 98 HB ILE 98 -6.520 -3.628 0.065 771 HG12 ILE 98 1HG1 ILE 98 -6.060 -5.134 1.882 772 HG13 ILE 98 2HG1 ILE 98 -7.698 -4.531 2.045 773 HG21 ILE 98 1HG2 ILE 98 -8.617 -3.342 -0.618 774 HG22 ILE 98 2HG2 ILE 98 -8.408 -4.811 -1.602 775 HG23 ILE 98 3HG2 ILE 98 -9.122 -4.923 0.025 776 HD11 ILE 98 3HD1 ILE 98 -8.615 -6.604 1.787 777 HD12 ILE 98 1HD1 ILE 98 -7.534 -7.009 0.432 778 HD13 ILE 98 2HD1 ILE 98 -6.972 -7.207 2.109 779 H GLU 99 H GLU 99 -6.823 -5.726 -3.378 780 HA GLU 99 HA GLU 99 -4.603 -4.085 -4.261 781 HB2 GLU 99 1HB GLU 99 -5.361 -6.472 -5.205 782 HB3 GLU 99 2HB GLU 99 -6.461 -5.504 -6.165 783 HG2 GLU 99 1HG GLU 99 -4.628 -4.236 -7.145 784 HG3 GLU 99 2HG GLU 99 -3.472 -4.915 -6.015 785 HE2 GLU 99 HE GLU 99 -3.663 -8.120 -7.527 786 H PHE 100 H PHE 100 -4.962 -2.345 -5.853 787 HA PHE 100 HA PHE 100 -7.725 -1.406 -5.964 788 HB2 PHE 100 1HB PHE 100 -6.780 0.901 -5.414 789 HB3 PHE 100 2HB PHE 100 -6.626 -0.227 -4.082 790 HD1 PHE 100 2HD PHE 100 -4.375 -1.407 -3.778 791 HD2 PHE 100 1HD PHE 100 -4.891 1.979 -6.284 792 HE1 PHE 100 2HE PHE 100 -1.905 -0.967 -3.692 793 HE2 PHE 100 1HE PHE 100 -2.421 2.419 -6.197 794 HZ PHE 100 HZ PHE 100 -0.958 0.941 -4.902 795 H LYS 101 H LYS 101 -8.156 0.063 -7.750 796 HA LYS 101 HA LYS 101 -6.021 0.598 -9.595 797 HB2 LYS 101 1HB LYS 101 -6.409 -0.935 -11.187 798 HB3 LYS 101 2HB LYS 101 -7.136 -1.865 -9.893 799 HG2 LYS 101 1HG LYS 101 -9.373 -0.943 -10.445 800 HG3 LYS 101 2HG LYS 101 -8.671 0.076 -11.686 801 HD2 LYS 101 1HD LYS 101 -7.894 -1.953 -12.921 802 HD3 LYS 101 2HD LYS 101 -8.574 -2.979 -11.675 803 HE2 LYS 101 1HE LYS 101 -10.754 -1.391 -12.303 804 HE3 LYS 101 2HE LYS 101 -9.949 -1.486 -13.856 805 HZ1 LYS 101 2HZ LYS 101 -11.520 -3.345 -13.456 806 HZ3 LYS 101 1HZ LYS 101 -10.613 -3.868 -12.209 807 H CYS 102 H CYS 102 -6.578 2.259 -11.081 808 HA CYS 102 HA CYS 102 -8.953 3.694 -10.247 809 HB2 CYS 102 1HB CYS 102 -7.057 5.090 -10.253 810 HB3 CYS 102 2HB CYS 102 -6.468 4.461 -11.779 811 HG CYS 102 HG CYS 102 -7.385 6.200 -13.087 812 H LEU 103 H LEU 103 -10.793 3.784 -11.521 813 HA LEU 103 HA LEU 103 -10.801 2.213 -13.927 814 HB2 LEU 103 1HB LEU 103 -13.095 3.841 -12.879 815 HB3 LEU 103 2HB LEU 103 -13.129 2.371 -13.832 816 HG LEU 103 HG LEU 103 -11.917 2.233 -11.102 817 HD11 LEU 103 1HD1 LEU 103 -14.059 3.589 -10.940 818 HD12 LEU 103 2HD1 LEU 103 -14.915 2.119 -11.465 819 HD13 LEU 103 3HD1 LEU 103 -13.974 2.109 -9.953 820 HD21 LEU 103 3HD2 LEU 103 -12.350 0.381 -13.032 821 HD22 LEU 103 1HD2 LEU 103 -12.249 0.015 -11.293 822 HD23 LEU 103 2HD2 LEU 103 -13.838 0.206 -12.071 Start of MODEL 17 1 H1 MET 1 1H MET 1 -18.027 11.117 5.663 2 HA MET 1 HA MET 1 -16.353 9.806 6.368 3 HB2 MET 1 1HB MET 1 -16.002 9.451 3.395 4 HB3 MET 1 2HB MET 1 -14.562 9.215 4.366 5 HG2 MET 1 1HG MET 1 -17.222 7.807 4.904 6 HG3 MET 1 2HG MET 1 -15.912 7.098 3.981 7 HE1 MET 1 3HE MET 1 -17.379 7.369 7.549 8 HE2 MET 1 1HE MET 1 -17.346 5.978 6.439 9 HE3 MET 1 2HE MET 1 -16.410 5.931 7.953 10 H GLN 2 H GLN 2 -15.318 11.360 7.581 11 HA GLN 2 HA GLN 2 -14.008 13.515 6.248 12 HB2 GLN 2 1HB GLN 2 -14.929 12.889 8.954 13 HB3 GLN 2 2HB GLN 2 -13.309 13.556 8.989 14 HG2 GLN 2 1HG GLN 2 -14.496 15.243 7.165 15 HG3 GLN 2 2HG GLN 2 -15.875 14.847 8.172 16 HE21 GLN 2 2HE2 GLN 2 -14.751 17.693 9.962 17 HE22 GLN 2 1HE2 GLN 2 -15.778 17.130 8.686 18 HA PRO 3 HA PRO 3 -10.289 11.148 8.011 19 HB2 PRO 3 2HB PRO 3 -10.593 10.063 10.019 20 HB3 PRO 3 1HB PRO 3 -10.631 8.629 9.012 21 HG2 PRO 3 1HG PRO 3 -12.918 8.425 9.212 22 HG3 PRO 3 2HG PRO 3 -12.790 9.576 10.527 23 HD2 PRO 3 1HD PRO 3 -14.092 9.989 8.005 24 HD3 PRO 3 2HD PRO 3 -13.863 11.177 9.273 25 H ASN 4 H ASN 4 -8.844 9.163 7.384 26 HA ASN 4 HA ASN 4 -9.615 8.724 4.647 27 HB2 ASN 4 1HB ASN 4 -7.216 9.373 5.651 28 HB3 ASN 4 2HB ASN 4 -7.069 7.644 5.900 29 HD21 ASN 4 2HD2 ASN 4 -7.423 9.183 2.058 30 HD22 ASN 4 1HD2 ASN 4 -8.123 9.980 3.427 31 H ASP 5 H ASP 5 -8.729 6.314 3.880 32 HA ASP 5 HA ASP 5 -10.081 4.486 5.692 33 HB2 ASP 5 1HB ASP 5 -9.408 4.194 2.726 34 HB3 ASP 5 2HB ASP 5 -10.295 3.017 3.673 35 HD2 ASP 5 HD ASP 5 -11.964 3.487 1.953 36 H ILE 6 H ILE 6 -7.191 5.000 3.575 37 HA ILE 6 HA ILE 6 -5.530 3.529 5.337 38 HB ILE 6 HB ILE 6 -6.417 1.572 4.419 39 HG12 ILE 6 1HG1 ILE 6 -4.227 1.486 2.513 40 HG13 ILE 6 2HG1 ILE 6 -3.733 2.285 3.992 41 HG21 ILE 6 1HG2 ILE 6 -6.862 1.143 2.121 42 HG22 ILE 6 2HG2 ILE 6 -7.576 2.727 2.509 43 HG23 ILE 6 3HG2 ILE 6 -6.041 2.638 1.612 44 HD11 ILE 6 3HD1 ILE 6 -4.432 0.391 5.351 45 HD12 ILE 6 1HD1 ILE 6 -5.201 -0.389 3.947 46 HD13 ILE 6 2HD1 ILE 6 -3.429 -0.231 4.018 47 H THR 7 H THR 7 -3.389 4.142 5.060 48 HA THR 7 HA THR 7 -2.970 6.100 2.914 49 HB THR 7 HB THR 7 -0.976 6.667 4.513 50 HG1 THR 7 1HG THR 7 -0.993 4.847 5.872 51 HG21 THR 7 3HG2 THR 7 -3.905 6.953 5.330 52 HG22 THR 7 1HG2 THR 7 -2.586 7.654 6.299 53 HG23 THR 7 2HG2 THR 7 -2.844 8.194 4.622 54 H PHE 8 H PHE 8 -0.444 6.210 2.351 55 HA PHE 8 HA PHE 8 0.758 3.618 2.189 56 HB2 PHE 8 1HB PHE 8 -0.183 5.133 -0.320 57 HB3 PHE 8 2HB PHE 8 0.693 3.615 -0.328 58 HD1 PHE 8 2HD PHE 8 -2.544 5.202 0.357 59 HD2 PHE 8 1HD PHE 8 -0.430 1.531 0.125 60 HE1 PHE 8 2HE PHE 8 -4.719 3.949 0.383 61 HE2 PHE 8 1HE PHE 8 -2.604 0.277 0.151 62 HZ PHE 8 HZ PHE 8 -4.722 1.501 0.280 63 H PHE 9 H PHE 9 2.951 3.879 2.211 64 HA PHE 9 HA PHE 9 4.234 6.145 2.658 65 HB2 PHE 9 1HB PHE 9 6.089 4.872 1.100 66 HB3 PHE 9 2HB PHE 9 5.632 4.254 2.675 67 HD1 PHE 9 1HD PHE 9 4.081 2.344 2.855 68 HD2 PHE 9 2HD PHE 9 5.453 3.728 -0.914 69 HE1 PHE 9 1HE PHE 9 3.342 0.191 1.796 70 HE2 PHE 9 2HE PHE 9 4.714 1.576 -1.974 71 HZ PHE 9 HZ PHE 9 3.668 -0.167 -0.606 72 H GLN 10 H GLN 10 5.558 7.671 1.420 73 HA GLN 10 HA GLN 10 4.205 8.903 -0.568 74 HB2 GLN 10 1HB GLN 10 6.106 9.856 0.760 75 HB3 GLN 10 2HB GLN 10 7.230 8.893 -0.177 76 HG2 GLN 10 1HG GLN 10 5.622 10.218 -2.105 77 HG3 GLN 10 2HG GLN 10 5.941 11.427 -0.877 78 HE21 GLN 10 2HE2 GLN 10 9.237 12.002 -1.750 79 HE22 GLN 10 1HE2 GLN 10 7.826 12.423 -0.837 80 H ARG 11 H ARG 11 6.871 6.472 -0.872 81 HA ARG 11 HA ARG 11 7.258 6.567 -3.526 82 HB2 ARG 11 1HB ARG 11 7.055 3.938 -1.986 83 HB3 ARG 11 2HB ARG 11 8.094 4.283 -3.355 84 HG2 ARG 11 1HG ARG 11 8.722 6.281 -1.436 85 HG3 ARG 11 2HG ARG 11 8.555 4.802 -0.510 86 HD2 ARG 11 1HD ARG 11 10.691 4.330 -1.157 87 HD3 ARG 11 2HD ARG 11 10.012 3.934 -2.723 88 HE ARG 11 HE ARG 11 10.568 6.799 -2.343 89 HH11 ARG 11 2HH2 ARG 11 11.851 3.698 -3.479 90 HH12 ARG 11 1HH2 ARG 11 13.053 4.425 -4.492 91 HH21 ARG 11 1HH ARG 11 13.213 6.814 -4.594 92 H PHE 12 H PHE 12 4.508 5.186 -1.727 93 HA PHE 12 HA PHE 12 3.465 3.735 -3.942 94 HB2 PHE 12 1HB PHE 12 3.112 3.943 -1.151 95 HB3 PHE 12 2HB PHE 12 1.651 4.692 -1.762 96 HD1 PHE 12 2HD PHE 12 1.503 2.916 -4.301 97 HD2 PHE 12 1HD PHE 12 2.034 2.043 -0.182 98 HE1 PHE 12 2HE PHE 12 0.487 0.648 -4.651 99 HE2 PHE 12 1HE PHE 12 1.017 -0.225 -0.532 100 HZ PHE 12 HZ PHE 12 0.256 -0.895 -2.762 101 H GLN 13 H GLN 13 3.123 7.030 -2.616 102 HA GLN 13 HA GLN 13 0.759 7.639 -3.964 103 HB2 GLN 13 1HB GLN 13 2.742 9.013 -2.319 104 HB3 GLN 13 2HB GLN 13 2.243 10.039 -3.650 105 HG2 GLN 13 1HG GLN 13 -0.062 8.659 -2.462 106 HG3 GLN 13 2HG GLN 13 0.821 9.566 -1.250 107 HE21 GLN 13 2HE2 GLN 13 -1.372 11.390 -4.184 108 HE22 GLN 13 1HE2 GLN 13 -1.131 9.677 -4.092 109 H ASP 14 H ASP 14 4.249 7.975 -4.805 110 HA ASP 14 HA ASP 14 3.775 9.401 -7.158 111 HB2 ASP 14 1HB ASP 14 5.986 9.540 -6.373 112 HB3 ASP 14 2HB ASP 14 6.063 7.836 -5.974 113 HD2 ASP 14 HD ASP 14 6.890 9.554 -9.348 114 H ASP 15 H ASP 15 4.557 5.915 -6.433 115 HA ASP 15 HA ASP 15 4.545 4.985 -8.986 116 HB2 ASP 15 1HB ASP 15 4.689 3.903 -6.414 117 HB3 ASP 15 2HB ASP 15 3.218 3.184 -7.037 118 HD2 ASP 15 HD ASP 15 6.509 2.972 -7.022 119 H ILE 16 H ILE 16 1.827 5.301 -6.594 120 HA ILE 16 HA ILE 16 -0.165 4.150 -8.130 121 HB ILE 16 HB ILE 16 -0.092 6.136 -5.894 122 HG12 ILE 16 1HG1 ILE 16 -1.456 3.445 -6.004 123 HG13 ILE 16 2HG1 ILE 16 0.262 3.587 -5.689 124 HG21 ILE 16 1HG2 ILE 16 -2.730 5.572 -5.991 125 HG22 ILE 16 2HG2 ILE 16 -2.001 7.039 -6.686 126 HG23 ILE 16 3HG2 ILE 16 -2.363 5.645 -7.731 127 HD11 ILE 16 3HD1 ILE 16 -0.388 5.307 -3.848 128 HD12 ILE 16 1HD1 ILE 16 -2.043 4.680 -4.040 129 HD13 ILE 16 2HD1 ILE 16 -0.731 3.590 -3.528 130 H LEU 17 H LEU 17 1.016 7.562 -7.989 131 HA LEU 17 HA LEU 17 -0.882 8.625 -9.711 132 HB2 LEU 17 1HB LEU 17 0.189 10.471 -9.186 133 HB3 LEU 17 2HB LEU 17 1.337 9.502 -8.284 134 HG LEU 17 HG LEU 17 2.498 9.259 -10.661 135 HD11 LEU 17 1HD1 LEU 17 1.089 10.362 -12.122 136 HD12 LEU 17 2HD1 LEU 17 0.699 11.646 -10.952 137 HD13 LEU 17 3HD1 LEU 17 2.292 11.619 -11.746 138 HD21 LEU 17 3HD2 LEU 17 2.730 11.212 -8.468 139 HD22 LEU 17 1HD2 LEU 17 3.958 10.163 -9.218 140 HD23 LEU 17 2HD2 LEU 17 3.508 11.701 -9.993 141 H ALA 18 H ALA 18 1.848 6.496 -10.288 142 HA ALA 18 HA ALA 18 2.105 7.155 -13.056 143 HB1 ALA 18 3HB ALA 18 3.020 4.566 -11.810 144 HB2 ALA 18 1HB ALA 18 3.814 5.567 -13.050 145 HB3 ALA 18 2HB ALA 18 3.807 6.094 -11.350 146 H GLY 19 H GLY 19 -0.379 5.770 -11.312 147 HA2 GLY 19 1HA GLY 19 -2.148 4.495 -11.852 148 HA3 GLY 19 2HA GLY 19 -1.811 4.898 -13.524 149 H ARG 20 H ARG 20 -0.371 2.819 -10.902 150 HA ARG 20 HA ARG 20 -0.255 0.719 -12.912 151 HB2 ARG 20 1HB ARG 20 1.870 1.734 -11.037 152 HB3 ARG 20 2HB ARG 20 1.806 -0.001 -11.279 153 HG2 ARG 20 1HG ARG 20 1.679 0.643 -13.856 154 HG3 ARG 20 2HG ARG 20 2.339 2.175 -13.318 155 HD2 ARG 20 1HD ARG 20 4.382 1.237 -12.673 156 HD3 ARG 20 2HD ARG 20 3.676 -0.322 -12.294 157 HE ARG 20 HE ARG 20 3.419 0.176 -15.116 158 HH11 ARG 20 2HH2 ARG 20 5.865 -0.648 -12.689 159 HH12 ARG 20 1HH2 ARG 20 6.895 -1.458 -13.821 160 HH21 ARG 20 1HH ARG 20 6.236 -1.590 -16.122 161 H LYS 21 H LYS 21 -2.055 -0.481 -12.209 162 HA LYS 21 HA LYS 21 -3.137 -0.745 -9.802 163 HB2 LYS 21 1HB LYS 21 -2.666 -3.091 -11.663 164 HB3 LYS 21 2HB LYS 21 -3.951 -2.925 -10.484 165 HG2 LYS 21 1HG LYS 21 -5.190 -2.020 -12.164 166 HG3 LYS 21 2HG LYS 21 -4.214 -0.578 -11.962 167 HD2 LYS 21 1HD LYS 21 -3.241 -0.871 -13.991 168 HD3 LYS 21 2HD LYS 21 -2.745 -2.500 -13.576 169 HE2 LYS 21 1HE LYS 21 -5.085 -3.303 -14.139 170 HE3 LYS 21 2HE LYS 21 -5.481 -1.678 -14.662 171 HZ1 LYS 21 2HZ LYS 21 -3.108 -2.369 -15.946 172 HZ3 LYS 21 1HZ LYS 21 -4.576 -2.207 -16.632 173 H THR 22 H THR 22 -2.127 -0.838 -7.857 174 HA THR 22 HA THR 22 -0.061 -2.920 -7.561 175 HB THR 22 HB THR 22 -0.299 -0.124 -6.335 176 HG1 THR 22 1HG THR 22 1.785 -0.037 -7.545 177 HG21 THR 22 3HG2 THR 22 1.822 -2.294 -5.903 178 HG22 THR 22 1HG2 THR 22 1.887 -0.631 -5.271 179 HG23 THR 22 2HG2 THR 22 0.650 -1.763 -4.673 180 H ILE 23 H ILE 23 0.022 -4.058 -5.548 181 HA ILE 23 HA ILE 23 -2.641 -4.236 -4.372 182 HB ILE 23 HB ILE 23 -0.674 -6.195 -3.508 183 HG12 ILE 23 1HG1 ILE 23 -1.088 -5.761 -6.466 184 HG13 ILE 23 2HG1 ILE 23 0.416 -5.962 -5.589 185 HG21 ILE 23 1HG2 ILE 23 -3.415 -6.004 -3.781 186 HG22 ILE 23 2HG2 ILE 23 -2.950 -7.105 -5.100 187 HG23 ILE 23 3HG2 ILE 23 -2.493 -7.483 -3.422 188 HD11 ILE 23 3HD1 ILE 23 -0.996 -8.297 -4.956 189 HD12 ILE 23 1HD1 ILE 23 -1.402 -8.008 -6.665 190 HD13 ILE 23 2HD1 ILE 23 0.301 -8.156 -6.167 191 H THR 24 H THR 24 -2.828 -4.475 -1.984 192 HA THR 24 HA THR 24 -0.638 -3.122 -0.567 193 HB THR 24 HB THR 24 -2.259 -1.646 0.503 194 HG1 THR 24 1HG THR 24 -3.968 -3.276 0.609 195 HG21 THR 24 3HG2 THR 24 -1.742 -0.754 -1.711 196 HG22 THR 24 1HG2 THR 24 -2.824 -1.933 -2.491 197 HG23 THR 24 2HG2 THR 24 -3.504 -0.626 -1.494 198 H ILE 25 H ILE 25 -0.778 -3.413 1.837 199 HA ILE 25 HA ILE 25 -2.005 -6.017 2.424 200 HB ILE 25 HB ILE 25 0.645 -4.980 3.433 201 HG12 ILE 25 1HG1 ILE 25 1.325 -7.154 2.033 202 HG13 ILE 25 2HG1 ILE 25 -0.089 -6.699 1.103 203 HG21 ILE 25 1HG2 ILE 25 0.810 -6.796 4.775 204 HG22 ILE 25 2HG2 ILE 25 -0.965 -6.667 4.755 205 HG23 ILE 25 3HG2 ILE 25 -0.145 -7.832 3.688 206 HD11 ILE 25 3HD1 ILE 25 0.814 -4.439 0.734 207 HD12 ILE 25 1HD1 ILE 25 2.205 -4.801 1.784 208 HD13 ILE 25 2HD1 ILE 25 2.015 -5.653 0.232 209 H ARG 26 H ARG 26 -3.052 -6.230 4.419 210 HA ARG 26 HA ARG 26 -2.939 -3.923 6.148 211 HB2 ARG 26 1HB ARG 26 -5.687 -4.722 6.105 212 HB3 ARG 26 2HB ARG 26 -5.017 -3.190 5.580 213 HG2 ARG 26 1HG ARG 26 -5.019 -5.654 3.785 214 HG3 ARG 26 2HG ARG 26 -6.369 -4.538 3.832 215 HD2 ARG 26 1HD ARG 26 -3.862 -3.058 3.559 216 HD3 ARG 26 2HD ARG 26 -3.973 -4.282 2.311 217 HE ARG 26 HE ARG 26 -6.458 -3.219 2.146 218 HH11 ARG 26 2HH2 ARG 26 -3.319 -1.599 2.418 219 HH12 ARG 26 1HH2 ARG 26 -3.835 -0.186 1.560 220 HH21 ARG 26 1HH ARG 26 -6.085 -0.064 0.743 221 H ASP 27 H ASP 27 -4.380 -4.473 8.244 222 HA ASP 27 HA ASP 27 -3.639 -7.190 8.928 223 HB2 ASP 27 1HB ASP 27 -2.766 -5.491 10.433 224 HB3 ASP 27 2HB ASP 27 -4.334 -4.723 10.576 225 HD2 ASP 27 HD ASP 27 -3.279 -5.248 12.847 226 H GLU 28 H GLU 28 -5.253 -8.712 9.517 227 HA GLU 28 HA GLU 28 -7.781 -8.422 8.630 228 HB2 GLU 28 1HB GLU 28 -7.094 -10.619 9.118 229 HB3 GLU 28 2HB GLU 28 -6.518 -10.200 10.719 230 HG2 GLU 28 1HG GLU 28 -8.614 -11.485 10.891 231 HG3 GLU 28 2HG GLU 28 -8.861 -9.857 11.492 232 HE2 GLU 28 HE GLU 28 -10.967 -11.164 8.440 233 H SER 29 H SER 29 -6.619 -7.975 12.044 234 HA SER 29 HA SER 29 -9.061 -7.338 13.110 235 HB2 SER 29 1HB SER 29 -7.746 -6.244 14.931 236 HB3 SER 29 2HB SER 29 -7.117 -7.823 14.503 237 HG SER 29 HG SER 29 -5.988 -5.719 13.023 238 H GLU 30 H GLU 30 -7.098 -5.592 10.852 239 HA GLU 30 HA GLU 30 -8.776 -3.255 11.304 240 HB2 GLU 30 1HB GLU 30 -5.782 -3.407 10.995 241 HB3 GLU 30 2HB GLU 30 -6.612 -2.019 10.321 242 HG2 GLU 30 1HG GLU 30 -7.754 -1.730 12.609 243 HG3 GLU 30 2HG GLU 30 -6.659 -2.952 13.225 244 HE2 GLU 30 HE GLU 30 -5.538 -1.522 14.486 245 H SER 31 H SER 31 -9.200 -5.536 9.526 246 HA SER 31 HA SER 31 -8.260 -5.168 6.995 247 HB2 SER 31 1HB SER 31 -9.608 -6.939 6.582 248 HB3 SER 31 2HB SER 31 -10.096 -6.845 8.263 249 HG SER 31 HG SER 31 -11.731 -6.661 6.275 250 H HIS 32 H HIS 32 -10.422 -4.814 5.223 251 HA HIS 32 HA HIS 32 -11.121 -2.019 5.759 252 HB2 HIS 32 1HB HIS 32 -10.991 -1.589 3.410 253 HB3 HIS 32 2HB HIS 32 -9.499 -2.356 3.918 254 HD1 HIS 32 1HD HIS 32 -9.627 -5.183 3.546 255 HD2 HIS 32 2HD HIS 32 -11.980 -2.693 1.126 256 HE1 HIS 32 1HE HIS 32 -10.234 -6.557 1.484 257 H PHE 33 H PHE 33 -12.834 -2.245 3.195 258 HA PHE 33 HA PHE 33 -15.158 -3.286 4.597 259 HB2 PHE 33 1HB PHE 33 -15.289 -2.059 1.849 260 HB3 PHE 33 2HB PHE 33 -16.301 -1.727 3.241 261 HD1 PHE 33 1HD PHE 33 -15.268 -0.334 5.142 262 HD2 PHE 33 2HD PHE 33 -13.583 -0.577 1.254 263 HE1 PHE 33 1HE PHE 33 -13.997 1.790 5.559 264 HE2 PHE 33 2HE PHE 33 -12.313 1.547 1.672 265 HZ PHE 33 HZ PHE 33 -12.535 2.705 3.819 266 H LYS 34 H LYS 34 -14.029 -3.296 1.137 267 HA LYS 34 HA LYS 34 -13.918 -6.057 0.900 268 HB2 LYS 34 1HB LYS 34 -15.971 -6.673 -0.134 269 HB3 LYS 34 2HB LYS 34 -16.370 -5.889 1.381 270 HG2 LYS 34 1HG LYS 34 -16.192 -3.871 -0.701 271 HG3 LYS 34 2HG LYS 34 -17.237 -5.165 -1.254 272 HD2 LYS 34 1HD LYS 34 -17.516 -3.668 1.395 273 HD3 LYS 34 2HD LYS 34 -18.521 -3.427 -0.020 274 HE2 LYS 34 1HE LYS 34 -19.721 -5.373 0.323 275 HE3 LYS 34 2HE LYS 34 -18.329 -6.258 0.915 276 HZ1 LYS 34 2HZ LYS 34 -20.242 -4.692 2.416 277 HZ3 LYS 34 1HZ LYS 34 -18.699 -4.437 2.871 278 H THR 35 H THR 35 -14.757 -6.347 -1.807 279 HA THR 35 HA THR 35 -12.807 -4.559 -3.061 280 HB THR 35 HB THR 35 -14.109 -7.108 -4.141 281 HG1 THR 35 1HG THR 35 -12.921 -7.232 -1.998 282 HG21 THR 35 3HG2 THR 35 -11.649 -7.159 -5.143 283 HG22 THR 35 1HG2 THR 35 -12.885 -6.150 -5.933 284 HG23 THR 35 2HG2 THR 35 -11.693 -5.405 -4.841 285 H GLY 36 H GLY 36 -13.247 -3.566 -5.131 286 HA2 GLY 36 1HA GLY 36 -14.610 -2.667 -6.732 287 HA3 GLY 36 2HA GLY 36 -16.009 -3.420 -5.992 288 H ASP 37 H ASP 37 -14.764 -2.222 -3.287 289 HA ASP 37 HA ASP 37 -16.437 0.063 -3.383 290 HB2 ASP 37 1HB ASP 37 -15.126 -1.593 -1.379 291 HB3 ASP 37 2HB ASP 37 -14.800 0.093 -1.031 292 HD2 ASP 37 HD ASP 37 -18.240 0.830 -0.704 293 H VAL 38 H VAL 38 -15.159 2.017 -1.865 294 HA VAL 38 HA VAL 38 -12.888 2.730 -3.578 295 HB VAL 38 HB VAL 38 -15.229 4.121 -2.590 296 HG11 VAL 38 1HG1 VAL 38 -13.981 6.299 -2.160 297 HG12 VAL 38 2HG1 VAL 38 -13.909 5.079 -0.865 298 HG13 VAL 38 3HG1 VAL 38 -12.517 5.308 -1.951 299 HG21 VAL 38 3HG2 VAL 38 -13.095 4.596 -4.674 300 HG22 VAL 38 1HG2 VAL 38 -14.811 4.182 -4.899 301 HG23 VAL 38 2HG2 VAL 38 -14.354 5.807 -4.336 302 H LEU 39 H LEU 39 -10.913 3.364 -2.664 303 HA LEU 39 HA LEU 39 -10.760 3.037 0.250 304 HB2 LEU 39 1HB LEU 39 -9.070 1.858 -1.924 305 HB3 LEU 39 2HB LEU 39 -8.358 2.213 -0.363 306 HG LEU 39 HG LEU 39 -10.862 0.548 -0.570 307 HD11 LEU 39 1HD1 LEU 39 -8.147 -0.734 -0.496 308 HD12 LEU 39 2HD1 LEU 39 -9.720 -1.420 -0.970 309 HD13 LEU 39 3HD1 LEU 39 -8.884 -0.279 -2.051 310 HD21 LEU 39 3HD2 LEU 39 -8.663 0.285 1.466 311 HD22 LEU 39 1HD2 LEU 39 -9.907 1.549 1.619 312 HD23 LEU 39 2HD2 LEU 39 -10.381 -0.166 1.586 313 H ARG 40 H ARG 40 -10.582 5.105 0.982 314 HA ARG 40 HA ARG 40 -9.594 7.181 -0.490 315 HB2 ARG 40 1HB ARG 40 -10.618 6.769 2.131 316 HB3 ARG 40 2HB ARG 40 -9.060 7.533 2.376 317 HG2 ARG 40 1HG ARG 40 -9.871 9.540 1.701 318 HG3 ARG 40 2HG ARG 40 -10.413 8.862 0.179 319 HD2 ARG 40 1HD ARG 40 -12.588 8.670 0.891 320 HD3 ARG 40 2HD ARG 40 -12.122 8.075 2.472 321 HE ARG 40 HE ARG 40 -12.046 10.298 3.294 322 HH11 ARG 40 2HH2 ARG 40 -12.544 10.295 -0.214 323 HH12 ARG 40 1HH2 ARG 40 -12.966 11.974 -0.280 324 HH21 ARG 40 1HH ARG 40 -12.993 13.258 1.743 325 H VAL 41 H VAL 41 -7.530 7.596 -1.212 326 HA VAL 41 HA VAL 41 -5.331 6.259 0.160 327 HB VAL 41 HB VAL 41 -5.768 6.074 -2.328 328 HG11 VAL 41 1HG1 VAL 41 -5.901 7.887 -3.619 329 HG12 VAL 41 2HG1 VAL 41 -5.790 8.894 -2.155 330 HG13 VAL 41 3HG1 VAL 41 -4.314 8.460 -3.050 331 HG21 VAL 41 3HG2 VAL 41 -3.688 5.273 -1.889 332 HG22 VAL 41 1HG2 VAL 41 -3.187 6.743 -2.760 333 HG23 VAL 41 2HG2 VAL 41 -3.200 6.724 -0.980 334 H GLY 42 H GLY 42 -3.546 7.388 1.021 335 HA2 GLY 42 1HA GLY 42 -3.710 10.322 1.010 336 HA3 GLY 42 2HA GLY 42 -3.729 9.477 2.546 337 H ARG 43 H ARG 43 -1.737 9.758 3.473 338 HA ARG 43 HA ARG 43 0.491 8.732 1.982 339 HB2 ARG 43 1HB ARG 43 0.163 11.411 1.812 340 HB3 ARG 43 2HB ARG 43 0.955 11.373 3.374 341 HG2 ARG 43 1HG ARG 43 2.973 10.615 2.500 342 HG3 ARG 43 2HG ARG 43 2.205 9.705 1.215 343 HD2 ARG 43 1HD ARG 43 2.318 11.459 -0.247 344 HD3 ARG 43 2HD ARG 43 1.722 12.601 0.940 345 HE ARG 43 HE ARG 43 4.444 11.794 1.546 346 HH11 ARG 43 2HH2 ARG 43 2.541 13.928 -0.548 347 HH12 ARG 43 1HH2 ARG 43 3.833 15.057 -0.780 348 HH21 ARG 43 1HH ARG 43 5.945 14.659 0.280 349 H PHE 44 H PHE 44 1.791 7.523 3.359 350 HA PHE 44 HA PHE 44 1.027 7.274 6.063 351 HB2 PHE 44 1HB PHE 44 2.219 5.682 4.248 352 HB3 PHE 44 2HB PHE 44 3.694 6.417 4.844 353 HD1 PHE 44 1HD PHE 44 4.029 6.334 7.442 354 HD2 PHE 44 2HD PHE 44 1.392 3.791 5.301 355 HE1 PHE 44 1HE PHE 44 4.087 4.683 9.332 356 HE2 PHE 44 2HE PHE 44 1.450 2.140 7.191 357 HZ PHE 44 HZ PHE 44 2.797 2.606 9.183 358 H GLU 45 H GLU 45 3.484 9.170 4.327 359 HA GLU 45 HA GLU 45 5.289 9.604 6.294 360 HB2 GLU 45 1HB GLU 45 4.645 10.729 3.769 361 HB3 GLU 45 2HB GLU 45 4.730 12.089 4.870 362 HG2 GLU 45 1HG GLU 45 6.913 10.101 5.236 363 HG3 GLU 45 2HG GLU 45 6.917 10.882 3.667 364 HE2 GLU 45 HE GLU 45 7.017 13.820 4.317 365 H ASP 46 H ASP 46 2.186 11.378 5.695 366 HA ASP 46 HA ASP 46 1.470 11.681 8.247 367 HB2 ASP 46 1HB ASP 46 2.135 14.227 8.534 368 HB3 ASP 46 2HB ASP 46 3.257 12.971 9.017 369 HD2 ASP 46 HD ASP 46 2.589 15.175 6.420 370 H ASP 47 H ASP 47 1.937 13.185 5.042 371 HA ASP 47 HA ASP 47 0.200 15.150 4.899 372 HB2 ASP 47 1HB ASP 47 1.450 13.490 3.068 373 HB3 ASP 47 2HB ASP 47 -0.236 13.137 2.744 374 HD2 ASP 47 HD ASP 47 -1.056 16.247 1.665 375 H GLY 48 H GLY 48 -0.658 11.629 4.474 376 HA2 GLY 48 1HA GLY 48 -2.519 10.519 5.183 377 HA3 GLY 48 2HA GLY 48 -3.195 12.014 5.800 378 H TYR 49 H TYR 49 -5.275 11.681 4.864 379 HA TYR 49 HA TYR 49 -6.029 10.822 2.484 380 HB2 TYR 49 1HB TYR 49 -7.645 11.767 4.022 381 HB3 TYR 49 2HB TYR 49 -6.749 13.266 4.170 382 HD1 TYR 49 1HD TYR 49 -9.162 11.384 2.133 383 HD2 TYR 49 2HD TYR 49 -6.988 15.049 2.510 384 HE1 TYR 49 1HE TYR 49 -10.680 12.470 0.407 385 HE2 TYR 49 2HE TYR 49 -8.513 16.123 0.783 386 HH TYR 49 HH TYR 49 -11.205 14.287 -0.635 387 H PHE 50 H PHE 50 -5.959 11.349 0.319 388 HA PHE 50 HA PHE 50 -4.962 13.984 -0.395 389 HB2 PHE 50 1HB PHE 50 -3.228 11.864 -0.171 390 HB3 PHE 50 2HB PHE 50 -3.838 11.531 -1.780 391 HD1 PHE 50 1HD PHE 50 -1.925 13.898 0.268 392 HD2 PHE 50 2HD PHE 50 -3.271 12.952 -3.644 393 HE1 PHE 50 1HE PHE 50 -0.302 15.556 -0.692 394 HE2 PHE 50 2HE PHE 50 -1.649 14.610 -4.603 395 HZ PHE 50 HZ PHE 50 -0.184 15.892 -3.116 396 H CYS 51 H CYS 51 -6.040 10.721 -1.563 397 HA CYS 51 HA CYS 51 -7.956 12.056 -3.255 398 HB2 CYS 51 1HB CYS 51 -5.922 10.164 -4.479 399 HB3 CYS 51 2HB CYS 51 -7.280 10.905 -5.303 400 HG CYS 51 HG CYS 51 -6.052 12.785 -6.038 401 H THR 52 H THR 52 -8.995 9.913 -4.620 402 HA THR 52 HA THR 52 -9.382 7.850 -2.552 403 HB THR 52 HB THR 52 -11.511 8.984 -4.435 404 HG1 THR 52 1HG THR 52 -12.016 10.291 -2.586 405 HG21 THR 52 3HG2 THR 52 -11.757 6.658 -3.203 406 HG22 THR 52 1HG2 THR 52 -11.901 7.648 -1.731 407 HG23 THR 52 2HG2 THR 52 -13.077 7.842 -3.053 408 H ILE 53 H ILE 53 -9.480 5.722 -3.208 409 HA ILE 53 HA ILE 53 -9.099 5.305 -6.088 410 HB ILE 53 HB ILE 53 -7.426 3.671 -5.677 411 HG12 ILE 53 1HG1 ILE 53 -7.089 4.087 -2.788 412 HG13 ILE 53 2HG1 ILE 53 -8.609 3.320 -3.204 413 HG21 ILE 53 1HG2 ILE 53 -6.819 6.153 -4.046 414 HG22 ILE 53 2HG2 ILE 53 -5.626 5.035 -4.751 415 HG23 ILE 53 3HG2 ILE 53 -6.680 5.999 -5.814 416 HD11 ILE 53 3HD1 ILE 53 -7.037 1.531 -2.949 417 HD12 ILE 53 1HD1 ILE 53 -7.245 1.725 -4.706 418 HD13 ILE 53 2HD1 ILE 53 -5.799 2.383 -3.904 419 H GLU 54 H GLU 54 -9.448 2.814 -6.570 420 HA GLU 54 HA GLU 54 -11.687 1.943 -4.920 421 HB2 GLU 54 1HB GLU 54 -11.934 2.911 -7.513 422 HB3 GLU 54 2HB GLU 54 -11.838 1.181 -7.778 423 HG2 GLU 54 1HG GLU 54 -13.756 0.740 -6.416 424 HG3 GLU 54 2HG GLU 54 -13.683 2.312 -5.645 425 HE2 GLU 54 HE GLU 54 -14.572 0.660 -8.463 426 H VAL 55 H VAL 55 -11.737 -0.262 -4.416 427 HA VAL 55 HA VAL 55 -9.317 -1.680 -4.780 428 HB VAL 55 HB VAL 55 -11.762 -3.132 -3.974 429 HG11 VAL 55 1HG1 VAL 55 -10.273 -3.768 -2.069 430 HG12 VAL 55 2HG1 VAL 55 -9.599 -4.158 -3.670 431 HG13 VAL 55 3HG1 VAL 55 -9.002 -2.740 -2.773 432 HG21 VAL 55 3HG2 VAL 55 -11.517 -1.891 -1.664 433 HG22 VAL 55 1HG2 VAL 55 -10.908 -0.561 -2.678 434 HG23 VAL 55 2HG2 VAL 55 -12.542 -1.212 -2.952 435 H THR 56 H THR 56 -9.280 -3.980 -5.698 436 HA THR 56 HA THR 56 -11.100 -4.280 -7.969 437 HB THR 56 HB THR 56 -8.928 -3.016 -8.605 438 HG1 THR 56 1HG THR 56 -9.495 -4.039 -10.483 439 HG21 THR 56 3HG2 THR 56 -7.776 -5.837 -8.313 440 HG22 THR 56 1HG2 THR 56 -6.929 -4.393 -8.916 441 HG23 THR 56 2HG2 THR 56 -7.389 -4.503 -7.200 442 H ALA 57 H ALA 57 -8.469 -5.672 -5.931 443 HA ALA 57 HA ALA 57 -9.986 -8.147 -5.886 444 HB1 ALA 57 3HB ALA 57 -7.252 -8.884 -6.240 445 HB2 ALA 57 1HB ALA 57 -8.632 -9.230 -7.311 446 HB3 ALA 57 2HB ALA 57 -7.669 -7.751 -7.548 447 H THR 58 H THR 58 -8.871 -9.709 -4.243 448 HA THR 58 HA THR 58 -7.194 -8.413 -2.297 449 HB THR 58 HB THR 58 -10.172 -8.875 -1.869 450 HG1 THR 58 1HG THR 58 -9.767 -6.695 -2.033 451 HG21 THR 58 3HG2 THR 58 -9.300 -8.154 0.603 452 HG22 THR 58 1HG2 THR 58 -9.551 -9.858 0.155 453 HG23 THR 58 2HG2 THR 58 -7.916 -9.156 0.105 454 H SER 59 H SER 59 -6.022 -9.861 -1.103 455 HA SER 59 HA SER 59 -6.929 -12.551 -0.920 456 HB2 SER 59 1HB SER 59 -4.324 -12.921 -1.975 457 HB3 SER 59 2HB SER 59 -5.843 -13.402 -2.705 458 HG SER 59 HG SER 59 -4.603 -10.799 -3.008 459 H THR 60 H THR 60 -5.177 -13.911 0.312 460 HA THR 60 HA THR 60 -3.944 -12.116 2.278 461 HB THR 60 HB THR 60 -3.876 -14.509 3.478 462 HG1 THR 60 1HG THR 60 -6.177 -14.740 1.721 463 HG21 THR 60 3HG2 THR 60 -6.501 -14.239 3.859 464 HG22 THR 60 1HG2 THR 60 -5.389 -13.012 4.510 465 HG23 THR 60 2HG2 THR 60 -6.265 -12.703 2.991 466 H VAL 61 H VAL 61 -1.833 -11.720 2.189 467 HA VAL 61 HA VAL 61 -0.015 -13.854 1.636 468 HB VAL 61 HB VAL 61 0.598 -11.694 -0.205 469 HG11 VAL 61 1HG1 VAL 61 1.527 -14.104 0.007 470 HG12 VAL 61 2HG1 VAL 61 0.082 -14.580 -0.917 471 HG13 VAL 61 3HG1 VAL 61 1.251 -13.438 -1.620 472 HG21 VAL 61 3HG2 VAL 61 -1.912 -11.612 -0.300 473 HG22 VAL 61 1HG2 VAL 61 -1.127 -12.033 -1.841 474 HG23 VAL 61 2HG2 VAL 61 -1.890 -13.303 -0.855 475 H THR 62 H THR 62 2.347 -12.774 1.541 476 HA THR 62 HA THR 62 2.490 -11.200 3.940 477 HB THR 62 HB THR 62 4.985 -11.580 2.435 478 HG1 THR 62 1HG THR 62 4.680 -13.970 2.468 479 HG21 THR 62 3HG2 THR 62 4.232 -13.338 4.752 480 HG22 THR 62 1HG2 THR 62 5.738 -12.434 4.464 481 HG23 THR 62 2HG2 THR 62 4.297 -11.590 5.082 482 H LEU 63 H LEU 63 4.927 -9.736 3.121 483 HA LEU 63 HA LEU 63 3.512 -7.525 1.842 484 HB2 LEU 63 1HB LEU 63 5.419 -6.182 2.724 485 HB3 LEU 63 2HB LEU 63 4.381 -6.914 3.931 486 HG LEU 63 HG LEU 63 6.439 -8.782 3.533 487 HD11 LEU 63 1HD1 LEU 63 8.422 -7.225 4.146 488 HD12 LEU 63 2HD1 LEU 63 7.942 -7.397 2.441 489 HD13 LEU 63 3HD1 LEU 63 7.450 -5.956 3.362 490 HD21 LEU 63 3HD2 LEU 63 5.652 -6.851 5.683 491 HD22 LEU 63 1HD2 LEU 63 5.615 -8.631 5.671 492 HD23 LEU 63 2HD2 LEU 63 7.165 -7.774 5.846 493 H ASP 64 H ASP 64 6.896 -8.863 1.838 494 HA ASP 64 HA ASP 64 7.522 -7.737 -0.595 495 HB2 ASP 64 1HB ASP 64 8.850 -9.189 1.347 496 HB3 ASP 64 2HB ASP 64 8.796 -10.359 0.043 497 HD2 ASP 64 HD ASP 64 11.861 -8.537 -0.295 498 H THR 65 H THR 65 5.277 -10.173 0.139 499 HA THR 65 HA THR 65 5.754 -11.906 -2.100 500 HB THR 65 HB THR 65 3.336 -12.640 -1.260 501 HG1 THR 65 1HG THR 65 2.994 -10.684 -0.022 502 HG21 THR 65 3HG2 THR 65 5.701 -13.665 -0.628 503 HG22 THR 65 1HG2 THR 65 5.477 -12.768 0.892 504 HG23 THR 65 2HG2 THR 65 4.303 -14.017 0.415 505 H LEU 66 H LEU 66 4.753 -8.736 -1.934 506 HA LEU 66 HA LEU 66 3.870 -8.743 -4.588 507 HB2 LEU 66 1HB LEU 66 1.510 -7.896 -4.029 508 HB3 LEU 66 2HB LEU 66 1.820 -9.620 -4.084 509 HG LEU 66 HG LEU 66 2.234 -9.213 -1.455 510 HD11 LEU 66 1HD1 LEU 66 1.710 -6.746 -1.803 511 HD12 LEU 66 2HD1 LEU 66 0.019 -7.248 -2.043 512 HD13 LEU 66 3HD1 LEU 66 0.835 -7.581 -0.497 513 HD21 LEU 66 3HD2 LEU 66 0.770 -10.904 -2.215 514 HD22 LEU 66 1HD2 LEU 66 -0.200 -9.858 -1.150 515 HD23 LEU 66 2HD2 LEU 66 -0.361 -9.722 -2.917 516 H THR 67 H THR 67 3.760 -7.167 -1.350 517 HA THR 67 HA THR 67 3.427 -4.568 -2.010 518 HB THR 67 HB THR 67 4.020 -5.912 0.249 519 HG1 THR 67 1HG THR 67 4.467 -3.663 1.051 520 HG21 THR 67 3HG2 THR 67 6.608 -5.596 -0.871 521 HG22 THR 67 1HG2 THR 67 6.461 -4.279 0.317 522 HG23 THR 67 2HG2 THR 67 6.233 -5.969 0.829 523 H GLU 68 H GLU 68 4.822 -2.752 -2.448 524 HA GLU 68 HA GLU 68 6.343 -3.107 -4.659 525 HB2 GLU 68 1HB GLU 68 5.969 -0.948 -2.645 526 HB3 GLU 68 2HB GLU 68 7.451 -0.829 -3.572 527 HG2 GLU 68 1HG GLU 68 5.220 -1.523 -5.330 528 HG3 GLU 68 2HG GLU 68 4.833 -0.085 -4.405 529 HE2 GLU 68 HE GLU 68 7.826 0.021 -7.069 530 H LYS 69 H LYS 69 7.165 -3.757 -1.322 531 HA LYS 69 HA LYS 69 9.863 -3.372 -1.245 532 HB2 LYS 69 1HB LYS 69 8.355 -4.117 0.616 533 HB3 LYS 69 2HB LYS 69 8.370 -5.731 -0.064 534 HG2 LYS 69 1HG LYS 69 11.024 -5.403 0.009 535 HG3 LYS 69 2HG LYS 69 10.637 -4.191 1.215 536 HD2 LYS 69 1HD LYS 69 9.503 -5.823 2.619 537 HD3 LYS 69 2HD LYS 69 9.549 -7.037 1.356 538 HE2 LYS 69 1HE LYS 69 12.103 -6.931 1.461 539 HE3 LYS 69 2HE LYS 69 11.945 -5.886 2.860 540 HZ1 LYS 69 2HZ LYS 69 12.157 -8.148 3.609 541 HZ3 LYS 69 1HZ LYS 69 10.952 -8.677 2.651 542 H HIS 70 H HIS 70 7.992 -5.818 -3.020 543 HA HIS 70 HA HIS 70 10.194 -7.500 -3.542 544 HB2 HIS 70 1HB HIS 70 8.181 -8.583 -3.771 545 HB3 HIS 70 2HB HIS 70 7.390 -7.214 -4.527 546 HD1 HIS 70 1HD HIS 70 6.735 -7.833 -6.848 547 HD2 HIS 70 2HD HIS 70 10.474 -9.421 -5.802 548 HE1 HIS 70 1HE HIS 70 7.592 -9.064 -8.912 549 H ALA 71 H ALA 71 8.450 -5.025 -5.556 550 HA ALA 71 HA ALA 71 10.142 -5.177 -7.742 551 HB1 ALA 71 3HB ALA 71 8.078 -3.370 -6.659 552 HB2 ALA 71 1HB ALA 71 9.285 -2.548 -7.676 553 HB3 ALA 71 2HB ALA 71 8.355 -3.917 -8.330 554 H GLU 72 H GLU 72 10.435 -3.444 -4.625 555 HA GLU 72 HA GLU 72 12.613 -1.879 -5.476 556 HB2 GLU 72 1HB GLU 72 10.905 -1.891 -3.292 557 HB3 GLU 72 2HB GLU 72 12.402 -2.452 -2.573 558 HG2 GLU 72 1HG GLU 72 13.486 -0.439 -2.906 559 HG3 GLU 72 2HG GLU 72 12.696 -0.141 -4.441 560 HE2 GLU 72 HE GLU 72 11.289 2.235 -2.091 561 H GLN 73 H GLN 73 12.253 -4.984 -3.664 562 HA GLN 73 HA GLN 73 14.828 -5.342 -2.909 563 HB2 GLN 73 1HB GLN 73 12.498 -6.856 -2.907 564 HB3 GLN 73 2HB GLN 73 13.546 -7.804 -3.942 565 HG2 GLN 73 1HG GLN 73 15.073 -6.871 -1.652 566 HG3 GLN 73 2HG GLN 73 13.597 -7.625 -1.083 567 HE21 GLN 73 2HE2 GLN 73 16.695 -9.801 -2.511 568 HE22 GLN 73 1HE2 GLN 73 16.716 -8.088 -2.256 569 H GLU 74 H GLU 74 13.361 -5.701 -6.140 570 HA GLU 74 HA GLU 74 15.901 -6.705 -7.125 571 HB2 GLU 74 1HB GLU 74 13.111 -7.126 -7.845 572 HB3 GLU 74 2HB GLU 74 14.003 -6.560 -9.243 573 HG2 GLU 74 1HG GLU 74 15.788 -8.394 -8.219 574 HG3 GLU 74 2HG GLU 74 14.268 -9.121 -7.734 575 HE2 GLU 74 HE GLU 74 15.256 -10.654 -10.144 576 H ASN 75 H ASN 75 15.530 -3.912 -6.209 577 HA ASN 75 HA ASN 75 16.394 -2.682 -8.658 578 HB2 ASN 75 1HB ASN 75 13.754 -2.308 -7.912 579 HB3 ASN 75 2HB ASN 75 14.516 -0.976 -7.066 580 HD21 ASN 75 2HD2 ASN 75 13.457 -0.082 -10.598 581 HD22 ASN 75 1HD2 ASN 75 12.680 -0.900 -9.284 582 H MET 76 H MET 76 15.329 -1.929 -5.244 583 HA MET 76 HA MET 76 17.660 -0.267 -4.931 584 HB2 MET 76 1HB MET 76 15.396 -0.942 -2.971 585 HB3 MET 76 2HB MET 76 16.559 0.354 -2.774 586 HG2 MET 76 1HG MET 76 14.552 0.144 -5.072 587 HG3 MET 76 2HG MET 76 14.361 1.172 -3.666 588 HE1 MET 76 3HE MET 76 14.707 3.517 -6.304 589 HE2 MET 76 1HE MET 76 15.445 2.310 -7.384 590 HE3 MET 76 2HE MET 76 14.057 1.861 -6.364 591 H THR 77 H THR 77 18.570 -0.463 -2.442 592 HA THR 77 HA THR 77 19.604 -3.185 -2.330 593 HB THR 77 HB THR 77 21.149 -1.212 -2.336 594 HG1 THR 77 1HG THR 77 22.310 -2.391 -0.845 595 HG21 THR 77 3HG2 THR 77 19.275 -0.049 -0.581 596 HG22 THR 77 1HG2 THR 77 20.619 -0.525 0.485 597 HG23 THR 77 2HG2 THR 77 20.919 0.558 -0.896 598 H LEU 78 H LEU 78 20.253 -3.396 0.375 599 HA LEU 78 HA LEU 78 17.744 -4.292 1.365 600 HB2 LEU 78 1HB LEU 78 20.588 -4.497 2.075 601 HB3 LEU 78 2HB LEU 78 19.506 -4.474 3.454 602 HG LEU 78 HG LEU 78 18.635 -6.297 1.316 603 HD11 LEU 78 1HD1 LEU 78 21.373 -6.561 2.522 604 HD12 LEU 78 2HD1 LEU 78 20.419 -8.012 2.129 605 HD13 LEU 78 3HD1 LEU 78 20.831 -6.845 0.850 606 HD21 LEU 78 3HD2 LEU 78 19.037 -6.496 4.307 607 HD22 LEU 78 1HD2 LEU 78 17.508 -6.356 3.406 608 HD23 LEU 78 2HD2 LEU 78 18.473 -7.848 3.297 609 H THR 79 H THR 79 19.934 -1.515 1.993 610 HA THR 79 HA THR 79 18.702 -0.563 4.294 611 HB THR 79 HB THR 79 20.279 0.678 2.001 612 HG1 THR 79 1HG THR 79 21.873 0.382 3.586 613 HG21 THR 79 3HG2 THR 79 19.031 2.585 2.838 614 HG22 THR 79 1HG2 THR 79 19.151 2.003 4.515 615 HG23 THR 79 2HG2 THR 79 20.599 2.614 3.680 616 H GLU 80 H GLU 80 18.043 0.357 0.847 617 HA GLU 80 HA GLU 80 16.004 2.085 1.439 618 HB2 GLU 80 1HB GLU 80 17.073 0.731 -0.917 619 HB3 GLU 80 2HB GLU 80 15.328 0.854 -1.025 620 HG2 GLU 80 1HG GLU 80 15.368 3.248 -0.814 621 HG3 GLU 80 2HG GLU 80 17.019 3.254 -0.227 622 HE2 GLU 80 HE GLU 80 16.845 4.123 -3.799 623 H LEU 81 H LEU 81 15.950 -1.481 0.881 624 HA LEU 81 HA LEU 81 13.179 -1.771 0.897 625 HB2 LEU 81 1HB LEU 81 15.497 -3.591 1.465 626 HB3 LEU 81 2HB LEU 81 13.851 -4.147 1.691 627 HG LEU 81 HG LEU 81 15.260 -4.389 -0.612 628 HD11 LEU 81 1HD1 LEU 81 12.268 -4.015 -0.690 629 HD12 LEU 81 2HD1 LEU 81 13.282 -5.164 -1.595 630 HD13 LEU 81 3HD1 LEU 81 13.026 -5.389 0.152 631 HD21 LEU 81 3HD2 LEU 81 13.516 -1.950 -1.048 632 HD22 LEU 81 1HD2 LEU 81 15.293 -1.934 -0.949 633 HD23 LEU 81 2HD2 LEU 81 14.482 -2.814 -2.267 634 H LYS 82 H LYS 82 15.587 -1.438 3.510 635 HA LYS 82 HA LYS 82 13.774 -2.214 5.559 636 HB2 LYS 82 1HB LYS 82 16.479 -1.982 5.379 637 HB3 LYS 82 2HB LYS 82 16.097 -0.501 6.233 638 HG2 LYS 82 1HG LYS 82 15.698 -1.640 8.153 639 HG3 LYS 82 2HG LYS 82 14.515 -2.659 7.357 640 HD2 LYS 82 1HD LYS 82 16.042 -4.360 6.934 641 HD3 LYS 82 2HD LYS 82 17.392 -3.257 6.753 642 HE2 LYS 82 1HE LYS 82 17.547 -2.933 9.175 643 HE3 LYS 82 2HE LYS 82 16.056 -3.815 9.441 644 HZ1 LYS 82 2HZ LYS 82 18.473 -5.039 8.222 645 HZ3 LYS 82 1HZ LYS 82 17.121 -5.827 8.672 646 H LYS 83 H LYS 83 14.552 0.773 3.812 647 HA LYS 83 HA LYS 83 13.412 2.529 5.706 648 HB2 LYS 83 1HB LYS 83 14.913 2.763 3.392 649 HB3 LYS 83 2HB LYS 83 13.355 3.399 2.903 650 HG2 LYS 83 1HG LYS 83 13.764 4.488 5.477 651 HG3 LYS 83 2HG LYS 83 15.347 4.558 4.728 652 HD2 LYS 83 1HD LYS 83 14.265 5.650 2.698 653 HD3 LYS 83 2HD LYS 83 12.754 5.698 3.584 654 HE2 LYS 83 1HE LYS 83 14.624 6.802 5.385 655 HE3 LYS 83 2HE LYS 83 15.113 7.443 3.829 656 HZ1 LYS 83 2HZ LYS 83 12.963 8.377 3.507 657 HZ3 LYS 83 1HZ LYS 83 13.336 8.742 5.049 658 H VAL 84 H VAL 84 12.168 1.069 2.623 659 HA VAL 84 HA VAL 84 9.624 2.186 2.823 660 HB VAL 84 HB VAL 84 9.009 0.598 1.145 661 HG11 VAL 84 1HG1 VAL 84 11.671 0.776 0.074 662 HG12 VAL 84 2HG1 VAL 84 10.228 1.733 -0.336 663 HG13 VAL 84 3HG1 VAL 84 11.302 2.263 0.980 664 HG21 VAL 84 3HG2 VAL 84 9.966 -1.411 2.288 665 HG22 VAL 84 1HG2 VAL 84 10.315 -1.340 0.544 666 HG23 VAL 84 2HG2 VAL 84 11.578 -0.912 1.723 667 H ILE 85 H ILE 85 11.042 -0.858 4.121 668 HA ILE 85 HA ILE 85 8.647 -1.957 5.030 669 HB ILE 85 HB ILE 85 11.539 -2.289 5.755 670 HG12 ILE 85 1HG1 ILE 85 10.486 -3.171 3.597 671 HG13 ILE 85 2HG1 ILE 85 11.413 -4.297 4.568 672 HG21 ILE 85 1HG2 ILE 85 10.211 -4.430 6.928 673 HG22 ILE 85 2HG2 ILE 85 10.999 -3.071 7.766 674 HG23 ILE 85 3HG2 ILE 85 9.256 -3.007 7.410 675 HD11 ILE 85 3HD1 ILE 85 8.641 -4.466 3.784 676 HD12 ILE 85 1HD1 ILE 85 9.609 -5.655 4.688 677 HD13 ILE 85 2HD1 ILE 85 8.725 -4.380 5.560 678 H ALA 86 H ALA 86 10.935 0.407 6.477 679 HA ALA 86 HA ALA 86 9.601 0.436 8.989 680 HB1 ALA 86 3HB ALA 86 11.678 2.161 7.611 681 HB2 ALA 86 1HB ALA 86 11.020 2.584 9.210 682 HB3 ALA 86 2HB ALA 86 11.889 1.048 8.983 683 H ASP 87 H ASP 87 9.094 1.907 5.839 684 HA ASP 87 HA ASP 87 7.545 4.050 6.900 685 HB2 ASP 87 1HB ASP 87 8.803 3.435 4.439 686 HB3 ASP 87 2HB ASP 87 7.090 3.410 4.068 687 HD2 ASP 87 HD ASP 87 9.470 5.957 3.974 688 H ILE 88 H ILE 88 7.130 0.737 5.685 689 HA ILE 88 HA ILE 88 4.281 1.025 5.342 690 HB ILE 88 HB ILE 88 6.062 -0.472 4.073 691 HG12 ILE 88 1HG1 ILE 88 3.344 -1.665 4.577 692 HG13 ILE 88 2HG1 ILE 88 3.497 -0.114 3.776 693 HG21 ILE 88 1HG2 ILE 88 5.802 -2.852 4.842 694 HG22 ILE 88 2HG2 ILE 88 6.808 -1.820 5.887 695 HG23 ILE 88 3HG2 ILE 88 5.141 -2.215 6.368 696 HD11 ILE 88 3HD1 ILE 88 3.425 -1.990 2.141 697 HD12 ILE 88 1HD1 ILE 88 4.970 -1.111 2.053 698 HD13 ILE 88 2HD1 ILE 88 4.887 -2.684 2.883 699 H TYR 89 H TYR 89 6.493 -0.929 7.467 700 HA TYR 89 HA TYR 89 5.452 -0.349 9.863 701 HB2 TYR 89 1HB TYR 89 3.724 -2.250 10.122 702 HB3 TYR 89 2HB TYR 89 3.204 -0.968 9.046 703 HD1 TYR 89 1HD TYR 89 4.912 -4.303 8.980 704 HD2 TYR 89 2HD TYR 89 2.430 -1.502 6.907 705 HE1 TYR 89 1HE TYR 89 4.524 -6.004 7.130 706 HE2 TYR 89 2HE TYR 89 2.050 -3.213 5.065 707 HH TYR 89 HH TYR 89 2.243 -5.349 4.529 708 HA PRO 90 HA PRO 90 8.403 -3.407 10.710 709 HB2 PRO 90 2HB PRO 90 9.184 -2.238 12.534 710 HB3 PRO 90 1HB PRO 90 8.280 -3.435 13.440 711 HG2 PRO 90 1HG PRO 90 6.595 -1.941 13.928 712 HG3 PRO 90 2HG PRO 90 7.704 -0.693 13.394 713 HD2 PRO 90 1HD PRO 90 5.243 -1.457 12.133 714 HD3 PRO 90 2HD PRO 90 6.409 -0.291 11.537 715 H GLY 91 H GLY 91 8.744 -5.601 11.121 716 HA2 GLY 91 1HA GLY 91 7.932 -7.591 12.164 717 HA3 GLY 91 2HA GLY 91 6.293 -6.993 12.000 718 H GLN 92 H GLN 92 8.313 -9.280 10.805 719 HA GLN 92 HA GLN 92 7.408 -8.944 8.063 720 HB2 GLN 92 1HB GLN 92 9.908 -9.607 9.072 721 HB3 GLN 92 2HB GLN 92 9.259 -11.181 8.658 722 HG2 GLN 92 1HG GLN 92 8.737 -9.139 6.578 723 HG3 GLN 92 2HG GLN 92 10.446 -9.388 6.874 724 HE21 GLN 92 2HE2 GLN 92 8.076 -12.268 5.142 725 HE22 GLN 92 1HE2 GLN 92 7.436 -10.832 5.870 726 H THR 93 H THR 93 5.176 -9.548 8.883 727 HA THR 93 HA THR 93 4.950 -12.481 8.956 728 HB THR 93 HB THR 93 3.317 -12.303 10.721 729 HG1 THR 93 1HG THR 93 2.699 -10.000 11.304 730 HG21 THR 93 3HG2 THR 93 4.392 -10.849 12.483 731 HG22 THR 93 1HG2 THR 93 5.571 -11.910 11.676 732 HG23 THR 93 2HG2 THR 93 5.476 -10.189 11.234 733 H GLN 94 H GLN 94 3.031 -13.369 8.010 734 HA GLN 94 HA GLN 94 2.283 -11.883 5.728 735 HB2 GLN 94 1HB GLN 94 2.367 -14.147 5.241 736 HB3 GLN 94 2HB GLN 94 1.772 -14.627 6.817 737 HG2 GLN 94 1HG GLN 94 -0.518 -13.905 6.216 738 HG3 GLN 94 2HG GLN 94 0.049 -13.293 4.675 739 HE21 GLN 94 2HE2 GLN 94 -0.859 -17.214 5.244 740 HE22 GLN 94 1HE2 GLN 94 -1.028 -15.984 6.451 741 H PHE 95 H PHE 95 0.052 -11.297 5.106 742 HA PHE 95 HA PHE 95 -1.983 -11.344 7.096 743 HB2 PHE 95 1HB PHE 95 -1.821 -8.576 6.554 744 HB3 PHE 95 2HB PHE 95 -1.341 -9.334 8.059 745 HD1 PHE 95 1HD PHE 95 0.301 -9.443 4.714 746 HD2 PHE 95 2HD PHE 95 0.550 -8.191 8.761 747 HE1 PHE 95 1HE PHE 95 2.667 -8.696 4.337 748 HE2 PHE 95 2HE PHE 95 2.917 -7.444 8.383 749 HZ PHE 95 HZ PHE 95 3.947 -7.706 6.176 750 H TYR 96 H TYR 96 -3.800 -9.577 6.232 751 HA TYR 96 HA TYR 96 -4.586 -10.610 3.742 752 HB2 TYR 96 1HB TYR 96 -5.425 -8.742 5.886 753 HB3 TYR 96 2HB TYR 96 -5.885 -8.111 4.317 754 HD1 TYR 96 2HD TYR 96 -6.118 -11.213 6.402 755 HD2 TYR 96 1HD TYR 96 -7.863 -8.842 3.296 756 HE1 TYR 96 2HE TYR 96 -8.161 -12.726 6.383 757 HE2 TYR 96 1HE TYR 96 -9.899 -10.364 3.288 758 HH TYR 96 HH TYR 96 -10.532 -12.539 5.761 759 H VAL 97 H VAL 97 -4.868 -9.532 1.693 760 HA VAL 97 HA VAL 97 -3.303 -7.083 1.380 761 HB VAL 97 HB VAL 97 -2.972 -9.653 -0.171 762 HG11 VAL 97 1HG1 VAL 97 -3.100 -7.416 -1.523 763 HG12 VAL 97 2HG1 VAL 97 -1.482 -7.126 -0.840 764 HG13 VAL 97 3HG1 VAL 97 -1.781 -8.568 -1.841 765 HG21 VAL 97 3HG2 VAL 97 -1.450 -8.269 1.924 766 HG22 VAL 97 1HG2 VAL 97 -1.361 -9.957 1.364 767 HG23 VAL 97 2HG2 VAL 97 -0.474 -8.683 0.494 768 H ILE 98 H ILE 98 -4.464 -5.571 0.300 769 HA ILE 98 HA ILE 98 -6.717 -6.566 -1.302 770 HB ILE 98 HB ILE 98 -6.623 -3.826 -0.100 771 HG12 ILE 98 1HG1 ILE 98 -6.176 -5.095 1.839 772 HG13 ILE 98 2HG1 ILE 98 -7.900 -4.781 1.861 773 HG21 ILE 98 1HG2 ILE 98 -8.380 -5.066 -1.792 774 HG22 ILE 98 2HG2 ILE 98 -9.132 -5.356 -0.205 775 HG23 ILE 98 3HG2 ILE 98 -8.768 -3.693 -0.728 776 HD11 ILE 98 3HD1 ILE 98 -6.577 -7.318 1.927 777 HD12 ILE 98 1HD1 ILE 98 -8.329 -7.001 1.910 778 HD13 ILE 98 2HD1 ILE 98 -7.449 -7.222 0.378 779 H GLU 99 H GLU 99 -6.569 -6.237 -3.453 780 HA GLU 99 HA GLU 99 -4.491 -4.421 -4.326 781 HB2 GLU 99 1HB GLU 99 -4.915 -6.930 -5.123 782 HB3 GLU 99 2HB GLU 99 -6.070 -6.178 -6.205 783 HG2 GLU 99 1HG GLU 99 -4.338 -4.749 -7.178 784 HG3 GLU 99 2HG GLU 99 -3.169 -5.257 -5.975 785 HE2 GLU 99 HE GLU 99 -3.952 -5.930 -9.113 786 H PHE 100 H PHE 100 -4.890 -2.725 -5.872 787 HA PHE 100 HA PHE 100 -7.662 -2.216 -6.551 788 HB2 PHE 100 1HB PHE 100 -7.607 -0.010 -5.496 789 HB3 PHE 100 2HB PHE 100 -7.039 -1.137 -4.280 790 HD1 PHE 100 2HD PHE 100 -5.721 1.095 -6.964 791 HD2 PHE 100 1HD PHE 100 -5.067 -0.673 -3.162 792 HE1 PHE 100 2HE PHE 100 -3.618 2.440 -6.700 793 HE2 PHE 100 1HE PHE 100 -2.964 0.672 -2.899 794 HZ PHE 100 HZ PHE 100 -2.265 2.213 -4.670 795 H LYS 101 H LYS 101 -7.814 -0.253 -8.070 796 HA LYS 101 HA LYS 101 -5.301 0.228 -9.470 797 HB2 LYS 101 1HB LYS 101 -6.165 -0.371 -11.603 798 HB3 LYS 101 2HB LYS 101 -6.441 -1.733 -10.536 799 HG2 LYS 101 1HG LYS 101 -8.752 -1.421 -10.490 800 HG3 LYS 101 2HG LYS 101 -8.637 0.314 -10.712 801 HD2 LYS 101 1HD LYS 101 -7.671 -0.366 -13.110 802 HD3 LYS 101 2HD LYS 101 -8.502 -1.876 -12.793 803 HE2 LYS 101 1HE LYS 101 -10.600 -0.926 -12.970 804 HE3 LYS 101 2HE LYS 101 -10.105 0.574 -12.212 805 HZ1 LYS 101 2HZ LYS 101 -8.755 0.803 -14.459 806 HZ3 LYS 101 1HZ LYS 101 -10.317 1.256 -14.383 807 H CYS 102 H CYS 102 -5.306 2.207 -10.715 808 HA CYS 102 HA CYS 102 -7.207 4.088 -9.608 809 HB2 CYS 102 1HB CYS 102 -4.986 4.859 -9.424 810 HB3 CYS 102 2HB CYS 102 -4.574 4.375 -11.057 811 HG CYS 102 HG CYS 102 -6.723 6.697 -10.072 812 H LEU 103 H LEU 103 -8.932 4.872 -10.796 813 HA LEU 103 HA LEU 103 -8.854 4.378 -13.690 814 HB2 LEU 103 1HB LEU 103 -11.372 4.129 -13.461 815 HB3 LEU 103 2HB LEU 103 -10.359 2.790 -12.957 816 HG LEU 103 HG LEU 103 -10.589 3.697 -10.573 817 HD11 LEU 103 1HD1 LEU 103 -12.951 4.923 -10.452 818 HD12 LEU 103 2HD1 LEU 103 -11.417 5.814 -10.604 819 HD13 LEU 103 3HD1 LEU 103 -12.425 5.525 -12.042 820 HD21 LEU 103 3HD2 LEU 103 -13.065 2.800 -10.501 821 HD22 LEU 103 1HD2 LEU 103 -12.723 2.364 -12.193 822 HD23 LEU 103 2HD2 LEU 103 -11.703 1.719 -10.884 Start of MODEL 18 1 H1 MET 1 1H MET 1 -16.113 6.021 9.603 2 HA MET 1 HA MET 1 -15.783 5.773 6.948 3 HB2 MET 1 1HB MET 1 -18.687 5.955 7.752 4 HB3 MET 1 2HB MET 1 -18.201 6.937 6.385 5 HG2 MET 1 1HG MET 1 -17.209 4.114 6.338 6 HG3 MET 1 2HG MET 1 -18.945 4.298 6.186 7 HE1 MET 1 3HE MET 1 -19.317 4.070 2.995 8 HE2 MET 1 1HE MET 1 -20.051 4.566 4.539 9 HE3 MET 1 2HE MET 1 -19.845 5.753 3.228 10 H GLN 2 H GLN 2 -14.283 7.434 7.289 11 HA GLN 2 HA GLN 2 -14.979 9.971 6.845 12 HB2 GLN 2 1HB GLN 2 -15.600 9.282 9.616 13 HB3 GLN 2 2HB GLN 2 -14.409 10.566 9.556 14 HG2 GLN 2 1HG GLN 2 -16.217 11.342 7.576 15 HG3 GLN 2 2HG GLN 2 -17.267 10.611 8.774 16 HE21 GLN 2 2HE2 GLN 2 -16.891 14.225 9.543 17 HE22 GLN 2 1HE2 GLN 2 -17.442 13.261 8.213 18 HA PRO 3 HA PRO 3 -10.637 9.660 8.730 19 HB2 PRO 3 2HB PRO 3 -10.489 8.862 10.884 20 HB3 PRO 3 1HB PRO 3 -9.889 7.416 10.096 21 HG2 PRO 3 1HG PRO 3 -11.873 6.289 10.429 22 HG3 PRO 3 2HG PRO 3 -12.275 7.568 11.557 23 HD2 PRO 3 1HD PRO 3 -13.579 7.005 9.065 24 HD3 PRO 3 2HD PRO 3 -13.905 8.352 10.137 25 H ASN 4 H ASN 4 -8.474 8.535 8.242 26 HA ASN 4 HA ASN 4 -8.682 7.728 5.606 27 HB2 ASN 4 1HB ASN 4 -6.584 8.651 6.315 28 HB3 ASN 4 2HB ASN 4 -6.481 7.587 7.704 29 HD21 ASN 4 2HD2 ASN 4 -4.947 4.910 6.089 30 HD22 ASN 4 1HD2 ASN 4 -5.687 5.551 7.518 31 H ASP 5 H ASP 5 -7.906 5.526 4.736 32 HA ASP 5 HA ASP 5 -8.942 3.446 6.481 33 HB2 ASP 5 1HB ASP 5 -8.456 3.425 3.464 34 HB3 ASP 5 2HB ASP 5 -9.194 2.124 4.377 35 HD2 ASP 5 HD ASP 5 -11.785 4.103 2.790 36 H ILE 6 H ILE 6 -6.300 4.325 4.155 37 HA ILE 6 HA ILE 6 -4.366 2.938 5.697 38 HB ILE 6 HB ILE 6 -5.258 0.973 4.712 39 HG12 ILE 6 1HG1 ILE 6 -2.834 1.604 3.026 40 HG13 ILE 6 2HG1 ILE 6 -2.718 1.401 4.763 41 HG21 ILE 6 1HG2 ILE 6 -6.540 1.909 2.895 42 HG22 ILE 6 2HG2 ILE 6 -5.054 2.397 2.046 43 HG23 ILE 6 3HG2 ILE 6 -5.431 0.670 2.259 44 HD11 ILE 6 3HD1 ILE 6 -3.972 -0.663 2.897 45 HD12 ILE 6 1HD1 ILE 6 -2.288 -0.722 3.472 46 HD13 ILE 6 2HD1 ILE 6 -3.630 -0.865 4.632 47 H THR 7 H THR 7 -2.198 3.445 4.990 48 HA THR 7 HA THR 7 -2.174 5.613 2.993 49 HB THR 7 HB THR 7 -0.057 6.238 4.471 50 HG1 THR 7 1HG THR 7 -0.025 5.054 6.360 51 HG21 THR 7 3HG2 THR 7 -1.550 7.348 6.209 52 HG22 THR 7 1HG2 THR 7 -2.041 7.689 4.532 53 HG23 THR 7 2HG2 THR 7 -2.933 6.486 5.493 54 H PHE 8 H PHE 8 0.025 5.916 1.934 55 HA PHE 8 HA PHE 8 1.603 3.521 1.767 56 HB2 PHE 8 1HB PHE 8 0.105 4.677 -0.659 57 HB3 PHE 8 2HB PHE 8 1.147 3.268 -0.682 58 HD1 PHE 8 2HD PHE 8 0.405 1.353 1.021 59 HD2 PHE 8 1HD PHE 8 -2.172 4.331 -0.558 60 HE1 PHE 8 2HE PHE 8 -1.576 -0.120 1.478 61 HE2 PHE 8 1HE PHE 8 -4.153 2.859 -0.101 62 HZ PHE 8 HZ PHE 8 -3.831 0.651 0.911 63 H PHE 9 H PHE 9 3.701 4.138 1.520 64 HA PHE 9 HA PHE 9 4.539 6.700 1.467 65 HB2 PHE 9 1HB PHE 9 5.648 4.180 1.500 66 HB3 PHE 9 2HB PHE 9 6.066 4.633 -0.140 67 HD1 PHE 9 1HD PHE 9 5.925 6.863 2.826 68 HD2 PHE 9 2HD PHE 9 8.392 4.871 0.005 69 HE1 PHE 9 1HE PHE 9 7.921 8.121 3.683 70 HE2 PHE 9 2HE PHE 9 10.387 6.130 0.862 71 HZ PHE 9 HZ PHE 9 10.128 7.740 2.691 72 H GLN 10 H GLN 10 6.032 7.686 -0.372 73 HA GLN 10 HA GLN 10 4.321 8.399 -2.423 74 HB2 GLN 10 1HB GLN 10 6.048 9.926 -1.782 75 HB3 GLN 10 2HB GLN 10 7.309 8.728 -1.997 76 HG2 GLN 10 1HG GLN 10 7.517 9.205 -4.212 77 HG3 GLN 10 2HG GLN 10 5.790 9.081 -4.477 78 HE21 GLN 10 2HE2 GLN 10 5.089 12.492 -4.391 79 HE22 GLN 10 1HE2 GLN 10 4.505 10.863 -4.455 80 H ARG 11 H ARG 11 6.993 5.994 -2.239 81 HA ARG 11 HA ARG 11 7.321 5.437 -4.845 82 HB2 ARG 11 1HB ARG 11 7.204 3.446 -2.523 83 HB3 ARG 11 2HB ARG 11 7.923 3.098 -4.083 84 HG2 ARG 11 1HG ARG 11 9.270 5.382 -3.549 85 HG3 ARG 11 2HG ARG 11 8.910 4.919 -1.897 86 HD2 ARG 11 1HD ARG 11 10.560 3.360 -1.941 87 HD3 ARG 11 2HD ARG 11 9.800 2.553 -3.299 88 HE ARG 11 HE ARG 11 11.993 4.526 -3.429 89 HH11 ARG 11 2HH2 ARG 11 9.546 2.709 -5.236 90 HH12 ARG 11 1HH2 ARG 11 10.347 2.905 -6.759 91 HH21 ARG 11 1HH ARG 11 12.405 4.129 -6.855 92 H PHE 12 H PHE 12 4.736 4.260 -2.617 93 HA PHE 12 HA PHE 12 3.595 2.436 -4.409 94 HB2 PHE 12 1HB PHE 12 3.055 3.811 -1.823 95 HB3 PHE 12 2HB PHE 12 1.577 3.502 -2.713 96 HD1 PHE 12 1HD PHE 12 2.353 0.907 -4.027 97 HD2 PHE 12 2HD PHE 12 2.863 2.292 -0.048 98 HE1 PHE 12 1HE PHE 12 2.352 -1.463 -3.202 99 HE2 PHE 12 2HE PHE 12 2.863 -0.078 0.777 100 HZ PHE 12 HZ PHE 12 2.607 -1.928 -0.810 101 H GLN 13 H GLN 13 3.145 5.954 -3.863 102 HA GLN 13 HA GLN 13 0.810 6.142 -5.384 103 HB2 GLN 13 1HB GLN 13 2.639 7.927 -3.980 104 HB3 GLN 13 2HB GLN 13 2.178 8.630 -5.518 105 HG2 GLN 13 1HG GLN 13 -0.128 7.407 -4.159 106 HG3 GLN 13 2HG GLN 13 0.643 8.616 -3.152 107 HE21 GLN 13 2HE2 GLN 13 -1.770 10.585 -4.949 108 HE22 GLN 13 1HE2 GLN 13 -1.609 9.485 -3.622 109 H ASP 14 H ASP 14 4.315 6.616 -6.146 110 HA ASP 14 HA ASP 14 3.980 7.528 -8.707 111 HB2 ASP 14 1HB ASP 14 6.156 7.608 -7.673 112 HB3 ASP 14 2HB ASP 14 6.158 5.883 -7.364 113 HD2 ASP 14 HD ASP 14 7.336 7.448 -10.793 114 H ASP 15 H ASP 15 4.416 4.163 -7.397 115 HA ASP 15 HA ASP 15 4.456 2.853 -9.801 116 HB2 ASP 15 1HB ASP 15 4.991 1.811 -7.612 117 HB3 ASP 15 2HB ASP 15 3.319 1.960 -7.110 118 HD2 ASP 15 HD ASP 15 3.108 0.554 -10.331 119 H ILE 16 H ILE 16 1.754 3.972 -7.694 120 HA ILE 16 HA ILE 16 -0.309 2.618 -9.013 121 HB ILE 16 HB ILE 16 -0.171 5.054 -7.259 122 HG12 ILE 16 1HG1 ILE 16 -1.583 2.468 -6.658 123 HG13 ILE 16 2HG1 ILE 16 0.160 2.561 -6.508 124 HG21 ILE 16 1HG2 ILE 16 -2.824 4.365 -7.262 125 HG22 ILE 16 2HG2 ILE 16 -2.110 5.739 -8.140 126 HG23 ILE 16 3HG2 ILE 16 -2.391 4.195 -8.980 127 HD11 ILE 16 3HD1 ILE 16 -1.013 4.919 -5.289 128 HD12 ILE 16 1HD1 ILE 16 -1.791 3.457 -4.636 129 HD13 ILE 16 2HD1 ILE 16 -0.024 3.648 -4.532 130 H LEU 17 H LEU 17 1.174 5.876 -9.489 131 HA LEU 17 HA LEU 17 -0.601 6.734 -11.451 132 HB2 LEU 17 1HB LEU 17 0.598 8.565 -11.245 133 HB3 LEU 17 2HB LEU 17 1.634 7.709 -10.120 134 HG LEU 17 HG LEU 17 2.855 6.925 -12.341 135 HD11 LEU 17 1HD1 LEU 17 2.340 9.601 -13.413 136 HD12 LEU 17 2HD1 LEU 17 2.448 8.028 -14.239 137 HD13 LEU 17 3HD1 LEU 17 0.922 8.527 -13.472 138 HD21 LEU 17 3HD2 LEU 17 4.135 9.247 -12.151 139 HD22 LEU 17 1HD2 LEU 17 3.138 9.386 -10.683 140 HD23 LEU 17 2HD2 LEU 17 4.236 8.000 -10.885 141 H ALA 18 H ALA 18 1.971 4.345 -11.498 142 HA ALA 18 HA ALA 18 2.151 4.411 -14.389 143 HB1 ALA 18 3HB ALA 18 4.073 3.195 -14.102 144 HB2 ALA 18 1HB ALA 18 3.977 3.893 -12.468 145 HB3 ALA 18 2HB ALA 18 3.396 2.236 -12.764 146 H GLY 19 H GLY 19 -0.335 3.641 -12.598 147 HA2 GLY 19 1HA GLY 19 -2.102 2.280 -12.918 148 HA3 GLY 19 2HA GLY 19 -1.333 1.660 -14.366 149 H ARG 20 H ARG 20 -1.093 -0.526 -14.292 150 HA ARG 20 HA ARG 20 -0.965 -2.540 -13.468 151 HB2 ARG 20 1HB ARG 20 1.473 -1.153 -12.993 152 HB3 ARG 20 2HB ARG 20 1.201 -2.089 -11.537 153 HG2 ARG 20 1HG ARG 20 1.024 -4.166 -12.808 154 HG3 ARG 20 2HG ARG 20 1.008 -3.299 -14.331 155 HD2 ARG 20 1HD ARG 20 3.287 -3.120 -14.381 156 HD3 ARG 20 2HD ARG 20 3.371 -2.606 -12.708 157 HE ARG 20 HE ARG 20 2.709 -5.381 -12.733 158 HH11 ARG 20 2HH2 ARG 20 5.440 -3.274 -13.542 159 HH12 ARG 20 1HH2 ARG 20 6.632 -4.492 -13.233 160 HH21 ARG 20 1HH ARG 20 5.928 -6.669 -12.518 161 H LYS 21 H LYS 21 -2.870 -2.886 -12.240 162 HA LYS 21 HA LYS 21 -3.661 -1.828 -9.931 163 HB2 LYS 21 1HB LYS 21 -4.760 -4.042 -9.455 164 HB3 LYS 21 2HB LYS 21 -5.053 -3.383 -11.052 165 HG2 LYS 21 1HG LYS 21 -3.044 -4.822 -11.848 166 HG3 LYS 21 2HG LYS 21 -3.140 -5.630 -10.295 167 HD2 LYS 21 1HD LYS 21 -5.366 -6.445 -10.734 168 HD3 LYS 21 2HD LYS 21 -5.583 -5.358 -12.091 169 HE2 LYS 21 1HE LYS 21 -3.218 -6.946 -12.591 170 HE3 LYS 21 2HE LYS 21 -4.505 -8.032 -12.105 171 HZ1 LYS 21 2HZ LYS 21 -4.353 -6.346 -14.476 172 HZ3 LYS 21 1HZ LYS 21 -5.833 -6.482 -13.810 173 H THR 22 H THR 22 -2.350 -1.243 -8.260 174 HA THR 22 HA THR 22 -0.256 -3.030 -7.391 175 HB THR 22 HB THR 22 -1.201 -0.412 -6.130 176 HG1 THR 22 1HG THR 22 0.299 0.485 -7.770 177 HG21 THR 22 3HG2 THR 22 0.634 -1.000 -4.832 178 HG22 THR 22 1HG2 THR 22 1.260 -2.127 -6.060 179 HG23 THR 22 2HG2 THR 22 1.539 -0.377 -6.233 180 H ILE 23 H ILE 23 -0.151 -4.246 -5.538 181 HA ILE 23 HA ILE 23 -2.734 -4.568 -4.195 182 HB ILE 23 HB ILE 23 -0.957 -6.640 -3.495 183 HG12 ILE 23 1HG1 ILE 23 -0.860 -5.969 -6.445 184 HG13 ILE 23 2HG1 ILE 23 0.489 -6.142 -5.339 185 HG21 ILE 23 1HG2 ILE 23 -2.975 -7.165 -5.589 186 HG22 ILE 23 2HG2 ILE 23 -2.737 -7.922 -3.996 187 HG23 ILE 23 3HG2 ILE 23 -3.578 -6.358 -4.121 188 HD11 ILE 23 3HD1 ILE 23 0.591 -8.294 -6.080 189 HD12 ILE 23 1HD1 ILE 23 -0.821 -8.578 -5.034 190 HD13 ILE 23 2HD1 ILE 23 -1.051 -8.223 -6.763 191 H THR 24 H THR 24 -2.832 -4.659 -1.880 192 HA THR 24 HA THR 24 -0.433 -3.573 -0.561 193 HB THR 24 HB THR 24 -2.039 -2.165 0.783 194 HG1 THR 24 1HG THR 24 -4.158 -2.737 0.501 195 HG21 THR 24 3HG2 THR 24 -2.201 -0.481 -0.807 196 HG22 THR 24 1HG2 THR 24 -1.149 -1.568 -1.744 197 HG23 THR 24 2HG2 THR 24 -2.906 -1.571 -2.025 198 H ILE 25 H ILE 25 -0.733 -3.778 1.952 199 HA ILE 25 HA ILE 25 -1.866 -6.443 2.448 200 HB ILE 25 HB ILE 25 0.699 -5.309 3.570 201 HG12 ILE 25 1HG1 ILE 25 1.468 -7.500 2.203 202 HG13 ILE 25 2HG1 ILE 25 0.113 -7.017 1.203 203 HG21 ILE 25 1HG2 ILE 25 -0.077 -8.182 3.812 204 HG22 ILE 25 2HG2 ILE 25 0.914 -7.163 4.883 205 HG23 ILE 25 3HG2 ILE 25 -0.858 -7.000 4.890 206 HD11 ILE 25 3HD1 ILE 25 2.627 -5.454 1.857 207 HD12 ILE 25 1HD1 ILE 25 1.920 -5.818 0.265 208 HD13 ILE 25 2HD1 ILE 25 1.153 -4.610 1.324 209 H ARG 26 H ARG 26 -3.008 -6.718 4.377 210 HA ARG 26 HA ARG 26 -3.092 -4.401 6.107 211 HB2 ARG 26 1HB ARG 26 -5.750 -5.650 5.755 212 HB3 ARG 26 2HB ARG 26 -5.318 -3.952 5.765 213 HG2 ARG 26 1HG ARG 26 -4.737 -5.772 3.388 214 HG3 ARG 26 2HG ARG 26 -6.239 -4.882 3.546 215 HD2 ARG 26 1HD ARG 26 -3.938 -3.125 4.027 216 HD3 ARG 26 2HD ARG 26 -3.796 -3.920 2.472 217 HE ARG 26 HE ARG 26 -5.773 -2.826 1.724 218 HH11 ARG 26 2HH2 ARG 26 -5.157 -2.127 5.142 219 HH12 ARG 26 1HH2 ARG 26 -6.293 -0.821 5.208 220 HH21 ARG 26 1HH ARG 26 -7.525 -0.236 3.237 221 H ASP 27 H ASP 27 -4.548 -5.041 8.169 222 HA ASP 27 HA ASP 27 -3.620 -7.687 8.907 223 HB2 ASP 27 1HB ASP 27 -2.866 -6.082 10.486 224 HB3 ASP 27 2HB ASP 27 -4.365 -5.176 10.426 225 HD2 ASP 27 HD ASP 27 -3.412 -8.406 11.223 226 H GLU 28 H GLU 28 -5.138 -9.317 9.429 227 HA GLU 28 HA GLU 28 -7.742 -9.017 8.586 228 HB2 GLU 28 1HB GLU 28 -6.732 -11.208 8.675 229 HB3 GLU 28 2HB GLU 28 -6.405 -11.069 10.391 230 HG2 GLU 28 1HG GLU 28 -8.384 -12.506 9.981 231 HG3 GLU 28 2HG GLU 28 -8.827 -11.078 10.896 232 HE2 GLU 28 HE GLU 28 -10.496 -11.701 7.383 233 H SER 29 H SER 29 -6.224 -8.622 11.807 234 HA SER 29 HA SER 29 -8.636 -8.529 13.216 235 HB2 SER 29 1HB SER 29 -7.026 -8.784 14.795 236 HB3 SER 29 2HB SER 29 -5.781 -8.136 13.746 237 HG SER 29 HG SER 29 -6.203 -6.055 14.441 238 H GLU 30 H GLU 30 -7.344 -6.443 10.883 239 HA GLU 30 HA GLU 30 -8.794 -4.196 12.051 240 HB2 GLU 30 1HB GLU 30 -6.150 -4.358 10.682 241 HB3 GLU 30 2HB GLU 30 -7.160 -3.015 10.185 242 HG2 GLU 30 1HG GLU 30 -7.165 -2.036 12.319 243 HG3 GLU 30 2HG GLU 30 -6.905 -3.562 13.140 244 HE2 GLU 30 HE GLU 30 -5.492 -0.888 12.717 245 H SER 31 H SER 31 -9.071 -6.647 9.875 246 HA SER 31 HA SER 31 -9.551 -5.794 7.442 247 HB2 SER 31 1HB SER 31 -10.309 -7.925 7.437 248 HB3 SER 31 2HB SER 31 -10.645 -7.872 9.156 249 HG SER 31 HG SER 31 -12.584 -8.258 7.938 250 H HIS 32 H HIS 32 -10.580 -4.035 6.575 251 HA HIS 32 HA HIS 32 -12.977 -3.103 7.983 252 HB2 HIS 32 1HB HIS 32 -12.402 -0.833 7.218 253 HB3 HIS 32 2HB HIS 32 -11.206 -1.510 8.305 254 HD1 HIS 32 1HD HIS 32 -9.725 0.478 7.092 255 HD2 HIS 32 2HD HIS 32 -10.635 -2.917 4.802 256 HE1 HIS 32 1HE HIS 32 -8.089 0.477 5.133 257 H PHE 33 H PHE 33 -12.673 -1.174 5.338 258 HA PHE 33 HA PHE 33 -14.838 -2.020 4.006 259 HB2 PHE 33 1HB PHE 33 -12.232 -1.033 2.706 260 HB3 PHE 33 2HB PHE 33 -13.853 -0.742 2.108 261 HD1 PHE 33 1HD PHE 33 -15.315 0.887 3.222 262 HD2 PHE 33 2HD PHE 33 -11.318 0.280 4.511 263 HE1 PHE 33 1HE PHE 33 -15.400 3.044 4.502 264 HE2 PHE 33 2HE PHE 33 -11.403 2.437 5.792 265 HZ PHE 33 HZ PHE 33 -13.443 3.793 5.772 266 H LYS 34 H LYS 34 -14.936 -2.925 1.658 267 HA LYS 34 HA LYS 34 -13.115 -5.222 1.467 268 HB2 LYS 34 1HB LYS 34 -16.117 -5.125 1.297 269 HB3 LYS 34 2HB LYS 34 -15.228 -6.340 0.401 270 HG2 LYS 34 1HG LYS 34 -15.215 -7.565 2.317 271 HG3 LYS 34 2HG LYS 34 -14.014 -6.438 2.917 272 HD2 LYS 34 1HD LYS 34 -15.486 -5.907 4.563 273 HD3 LYS 34 2HD LYS 34 -16.427 -5.073 3.343 274 HE2 LYS 34 1HE LYS 34 -18.097 -6.524 3.921 275 HE3 LYS 34 2HE LYS 34 -17.239 -7.677 2.918 276 HZ1 LYS 34 2HZ LYS 34 -15.978 -7.743 5.385 277 HZ3 LYS 34 1HZ LYS 34 -16.964 -8.887 4.776 278 H THR 35 H THR 35 -13.943 -6.198 -1.009 279 HA THR 35 HA THR 35 -12.725 -4.281 -2.733 280 HB THR 35 HB THR 35 -14.159 -6.864 -3.500 281 HG1 THR 35 1HG THR 35 -12.204 -7.868 -2.728 282 HG21 THR 35 3HG2 THR 35 -11.923 -6.976 -4.885 283 HG22 THR 35 1HG2 THR 35 -13.205 -5.882 -5.458 284 HG23 THR 35 2HG2 THR 35 -11.817 -5.230 -4.555 285 H GLY 36 H GLY 36 -13.609 -3.310 -4.641 286 HA2 GLY 36 1HA GLY 36 -15.292 -2.485 -5.950 287 HA3 GLY 36 2HA GLY 36 -16.487 -3.299 -4.959 288 H ASP 37 H ASP 37 -14.785 -2.014 -2.549 289 HA ASP 37 HA ASP 37 -16.507 0.276 -2.435 290 HB2 ASP 37 1HB ASP 37 -15.039 -1.438 -0.554 291 HB3 ASP 37 2HB ASP 37 -14.787 0.255 -0.181 292 HD2 ASP 37 HD ASP 37 -17.122 -0.980 1.818 293 H VAL 38 H VAL 38 -14.958 2.065 -0.861 294 HA VAL 38 HA VAL 38 -12.840 2.788 -2.760 295 HB VAL 38 HB VAL 38 -15.020 4.221 -1.520 296 HG11 VAL 38 1HG1 VAL 38 -13.637 6.311 -1.043 297 HG12 VAL 38 2HG1 VAL 38 -13.557 5.010 0.169 298 HG13 VAL 38 3HG1 VAL 38 -12.219 5.237 -0.983 299 HG21 VAL 38 3HG2 VAL 38 -14.022 5.999 -3.202 300 HG22 VAL 38 1HG2 VAL 38 -13.066 4.606 -3.763 301 HG23 VAL 38 2HG2 VAL 38 -14.845 4.536 -3.796 302 H LEU 39 H LEU 39 -10.786 3.455 -1.957 303 HA LEU 39 HA LEU 39 -10.375 2.802 0.878 304 HB2 LEU 39 1HB LEU 39 -8.874 1.933 -1.561 305 HB3 LEU 39 2HB LEU 39 -8.008 2.156 -0.053 306 HG LEU 39 HG LEU 39 -10.465 0.411 -0.201 307 HD11 LEU 39 1HD1 LEU 39 -7.877 -0.982 -0.303 308 HD12 LEU 39 2HD1 LEU 39 -9.404 -1.315 -1.155 309 HD13 LEU 39 3HD1 LEU 39 -8.287 -0.079 -1.782 310 HD21 LEU 39 3HD2 LEU 39 -9.955 0.784 2.029 311 HD22 LEU 39 1HD2 LEU 39 -9.102 -0.740 1.684 312 HD23 LEU 39 2HD2 LEU 39 -8.199 0.793 1.738 313 H ARG 40 H ARG 40 -9.909 4.627 1.972 314 HA ARG 40 HA ARG 40 -9.198 6.961 0.651 315 HB2 ARG 40 1HB ARG 40 -9.865 6.130 3.331 316 HB3 ARG 40 2HB ARG 40 -8.383 7.060 3.434 317 HG2 ARG 40 1HG ARG 40 -10.372 8.279 1.613 318 HG3 ARG 40 2HG ARG 40 -10.969 8.114 3.252 319 HD2 ARG 40 1HD ARG 40 -9.000 9.320 4.139 320 HD3 ARG 40 2HD ARG 40 -8.283 9.390 2.541 321 HE ARG 40 HE ARG 40 -9.725 11.155 1.985 322 HH11 ARG 40 2HH2 ARG 40 -10.916 9.574 4.924 323 HH12 ARG 40 1HH2 ARG 40 -12.121 10.779 5.233 324 HH21 ARG 40 1HH ARG 40 -12.338 12.634 3.732 325 H VAL 41 H VAL 41 -7.180 7.935 0.256 326 HA VAL 41 HA VAL 41 -4.839 6.503 1.297 327 HB VAL 41 HB VAL 41 -5.379 7.465 -1.515 328 HG11 VAL 41 1HG1 VAL 41 -3.048 6.701 -2.015 329 HG12 VAL 41 2HG1 VAL 41 -3.129 8.146 -0.978 330 HG13 VAL 41 3HG1 VAL 41 -2.767 6.556 -0.264 331 HG21 VAL 41 3HG2 VAL 41 -6.284 5.270 -1.091 332 HG22 VAL 41 1HG2 VAL 41 -4.814 5.094 -2.080 333 HG23 VAL 41 2HG2 VAL 41 -4.763 4.736 -0.337 334 H GLY 42 H GLY 42 -2.810 7.940 1.129 335 HA2 GLY 42 1HA GLY 42 -2.964 10.704 0.809 336 HA3 GLY 42 2HA GLY 42 -3.319 10.362 2.490 337 H ARG 43 H ARG 43 -0.861 10.316 -0.052 338 HA ARG 43 HA ARG 43 1.059 8.911 1.406 339 HB2 ARG 43 1HB ARG 43 2.662 9.891 -0.282 340 HB3 ARG 43 2HB ARG 43 1.257 9.151 -1.023 341 HG2 ARG 43 1HG ARG 43 0.307 11.696 -0.710 342 HG3 ARG 43 2HG ARG 43 2.018 12.045 -0.861 343 HD2 ARG 43 1HD ARG 43 2.009 10.547 -2.968 344 HD3 ARG 43 2HD ARG 43 0.260 10.554 -2.859 345 HE ARG 43 HE ARG 43 0.779 13.224 -2.754 346 HH11 ARG 43 2HH2 ARG 43 2.036 10.717 -4.920 347 HH12 ARG 43 1HH2 ARG 43 2.272 11.806 -6.246 348 HH21 ARG 43 1HH ARG 43 1.710 14.121 -5.978 349 H PHE 44 H PHE 44 2.689 9.641 2.832 350 HA PHE 44 HA PHE 44 2.193 12.095 4.141 351 HB2 PHE 44 1HB PHE 44 3.249 9.772 4.897 352 HB3 PHE 44 2HB PHE 44 4.740 10.395 4.221 353 HD1 PHE 44 1HD PHE 44 5.610 12.631 5.143 354 HD2 PHE 44 2HD PHE 44 2.622 10.324 7.081 355 HE1 PHE 44 1HE PHE 44 6.092 13.820 7.300 356 HE2 PHE 44 2HE PHE 44 3.103 11.514 9.238 357 HZ PHE 44 HZ PHE 44 4.832 13.247 9.322 358 H GLU 45 H GLU 45 4.400 11.019 1.558 359 HA GLU 45 HA GLU 45 6.372 12.823 1.695 360 HB2 GLU 45 1HB GLU 45 4.995 11.364 -0.500 361 HB3 GLU 45 2HB GLU 45 5.900 12.770 -1.025 362 HG2 GLU 45 1HG GLU 45 7.539 11.082 -1.090 363 HG3 GLU 45 2HG GLU 45 7.839 11.821 0.470 364 HE2 GLU 45 HE GLU 45 8.385 9.910 1.705 365 H ASP 46 H ASP 46 3.039 13.344 0.418 366 HA ASP 46 HA ASP 46 3.697 16.069 -0.197 367 HB2 ASP 46 1HB ASP 46 1.713 16.102 -1.402 368 HB3 ASP 46 2HB ASP 46 2.038 14.380 -1.429 369 HD2 ASP 46 HD ASP 46 1.017 13.317 0.588 370 H ASP 47 H ASP 47 1.886 14.066 2.171 371 HA ASP 47 HA ASP 47 2.096 15.832 4.214 372 HB2 ASP 47 1HB ASP 47 0.271 16.896 2.429 373 HB3 ASP 47 2HB ASP 47 -0.792 15.980 3.479 374 HD2 ASP 47 HD ASP 47 0.098 18.948 3.111 375 H GLY 48 H GLY 48 -0.421 13.782 2.558 376 HA2 GLY 48 1HA GLY 48 -0.358 11.444 3.621 377 HA3 GLY 48 2HA GLY 48 -0.834 12.304 5.072 378 H TYR 49 H TYR 49 -2.961 11.714 5.392 379 HA TYR 49 HA TYR 49 -4.825 10.920 3.676 380 HB2 TYR 49 1HB TYR 49 -5.047 13.008 5.934 381 HB3 TYR 49 2HB TYR 49 -6.422 12.115 5.314 382 HD1 TYR 49 1HD TYR 49 -3.993 9.737 5.094 383 HD2 TYR 49 2HD TYR 49 -6.107 11.927 8.100 384 HE1 TYR 49 1HE TYR 49 -3.543 7.881 6.773 385 HE2 TYR 49 2HE TYR 49 -5.650 10.064 9.769 386 HH TYR 49 HH TYR 49 -4.493 8.243 10.157 387 H PHE 50 H PHE 50 -4.930 11.749 1.586 388 HA PHE 50 HA PHE 50 -6.490 14.026 1.206 389 HB2 PHE 50 1HB PHE 50 -3.927 14.737 1.860 390 HB3 PHE 50 2HB PHE 50 -3.667 14.421 0.156 391 HD1 PHE 50 1HD PHE 50 -6.015 16.299 2.373 392 HD2 PHE 50 2HD PHE 50 -3.945 16.165 -1.329 393 HE1 PHE 50 1HE PHE 50 -6.858 18.597 1.818 394 HE2 PHE 50 2HE PHE 50 -4.788 18.463 -1.884 395 HZ PHE 50 HZ PHE 50 -6.234 19.652 -0.303 396 H CYS 51 H CYS 51 -6.284 11.223 0.375 397 HA CYS 51 HA CYS 51 -6.434 11.703 -2.466 398 HB2 CYS 51 1HB CYS 51 -4.769 9.343 -1.622 399 HB3 CYS 51 2HB CYS 51 -4.856 10.140 -3.180 400 HG CYS 51 HG CYS 51 -2.542 10.735 -2.363 401 H THR 52 H THR 52 -7.318 9.552 -3.529 402 HA THR 52 HA THR 52 -8.690 7.810 -1.672 403 HB THR 52 HB THR 52 -10.300 9.488 -3.655 404 HG1 THR 52 1HG THR 52 -10.379 10.976 -1.994 405 HG21 THR 52 3HG2 THR 52 -11.082 7.948 -1.124 406 HG22 THR 52 1HG2 THR 52 -12.191 8.814 -2.215 407 HG23 THR 52 2HG2 THR 52 -11.347 7.353 -2.781 408 H ILE 53 H ILE 53 -9.289 5.833 -2.573 409 HA ILE 53 HA ILE 53 -8.876 5.529 -5.433 410 HB ILE 53 HB ILE 53 -7.209 3.942 -5.320 411 HG12 ILE 53 1HG1 ILE 53 -6.401 3.051 -3.029 412 HG13 ILE 53 2HG1 ILE 53 -7.935 3.628 -2.409 413 HG21 ILE 53 1HG2 ILE 53 -6.389 6.223 -4.849 414 HG22 ILE 53 2HG2 ILE 53 -6.487 5.880 -3.105 415 HG23 ILE 53 3HG2 ILE 53 -5.361 4.959 -4.132 416 HD11 ILE 53 3HD1 ILE 53 -7.616 1.145 -3.453 417 HD12 ILE 53 1HD1 ILE 53 -9.160 2.027 -3.535 418 HD13 ILE 53 2HD1 ILE 53 -8.062 2.023 -4.936 419 H GLU 54 H GLU 54 -9.473 3.136 -6.045 420 HA GLU 54 HA GLU 54 -11.634 2.314 -4.269 421 HB2 GLU 54 1HB GLU 54 -12.007 3.459 -6.763 422 HB3 GLU 54 2HB GLU 54 -12.028 1.751 -7.156 423 HG2 GLU 54 1HG GLU 54 -13.818 1.325 -5.547 424 HG3 GLU 54 2HG GLU 54 -13.694 2.947 -4.896 425 HE2 GLU 54 HE GLU 54 -15.122 4.548 -7.491 426 H VAL 55 H VAL 55 -11.720 0.123 -3.795 427 HA VAL 55 HA VAL 55 -9.484 -1.445 -4.358 428 HB VAL 55 HB VAL 55 -12.059 -2.750 -3.670 429 HG11 VAL 55 1HG1 VAL 55 -10.337 -4.210 -3.300 430 HG12 VAL 55 2HG1 VAL 55 -9.174 -2.920 -2.912 431 HG13 VAL 55 3HG1 VAL 55 -10.381 -3.422 -1.705 432 HG21 VAL 55 3HG2 VAL 55 -11.611 -1.780 -1.248 433 HG22 VAL 55 1HG2 VAL 55 -10.929 -0.416 -2.167 434 HG23 VAL 55 2HG2 VAL 55 -12.622 -0.902 -2.420 435 H THR 56 H THR 56 -9.519 -3.610 -5.501 436 HA THR 56 HA THR 56 -11.383 -3.667 -7.754 437 HB THR 56 HB THR 56 -9.112 -2.400 -8.227 438 HG1 THR 56 1HG THR 56 -10.199 -2.983 -10.084 439 HG21 THR 56 3HG2 THR 56 -7.283 -3.872 -8.912 440 HG22 THR 56 1HG2 THR 56 -7.673 -4.266 -7.220 441 HG23 THR 56 2HG2 THR 56 -8.248 -5.320 -8.535 442 H ALA 57 H ALA 57 -8.712 -5.281 -5.938 443 HA ALA 57 HA ALA 57 -10.277 -7.719 -6.034 444 HB1 ALA 57 3HB ALA 57 -7.711 -8.634 -6.626 445 HB2 ALA 57 1HB ALA 57 -9.083 -8.553 -7.757 446 HB3 ALA 57 2HB ALA 57 -7.907 -7.219 -7.688 447 H THR 58 H THR 58 -9.094 -9.450 -4.618 448 HA THR 58 HA THR 58 -7.303 -8.321 -2.652 449 HB THR 58 HB THR 58 -10.242 -8.896 -2.146 450 HG1 THR 58 1HG THR 58 -9.588 -6.701 -2.262 451 HG21 THR 58 3HG2 THR 58 -9.535 -10.172 -0.321 452 HG22 THR 58 1HG2 THR 58 -7.907 -9.452 -0.324 453 HG23 THR 58 2HG2 THR 58 -9.276 -8.552 0.370 454 H SER 59 H SER 59 -6.146 -9.879 -1.497 455 HA SER 59 HA SER 59 -6.917 -12.607 -1.783 456 HB2 SER 59 1HB SER 59 -4.224 -12.684 -2.664 457 HB3 SER 59 2HB SER 59 -5.653 -13.116 -3.581 458 HG SER 59 HG SER 59 -5.181 -11.452 -4.832 459 H THR 60 H THR 60 -5.121 -14.054 -0.673 460 HA THR 60 HA THR 60 -4.155 -12.532 1.647 461 HB THR 60 HB THR 60 -4.045 -15.115 2.437 462 HG1 THR 60 1HG THR 60 -4.808 -16.185 0.626 463 HG21 THR 60 3HG2 THR 60 -6.324 -13.160 2.300 464 HG22 THR 60 1HG2 THR 60 -6.756 -14.853 2.644 465 HG23 THR 60 2HG2 THR 60 -5.629 -13.986 3.716 466 H VAL 61 H VAL 61 -2.091 -11.920 1.563 467 HA VAL 61 HA VAL 61 -0.102 -13.905 1.020 468 HB VAL 61 HB VAL 61 0.440 -11.616 -0.685 469 HG11 VAL 61 1HG1 VAL 61 0.318 -14.613 -1.155 470 HG12 VAL 61 2HG1 VAL 61 0.948 -13.422 -2.318 471 HG13 VAL 61 3HG1 VAL 61 1.759 -13.651 -0.750 472 HG21 VAL 61 3HG2 VAL 61 -2.051 -11.700 -0.923 473 HG22 VAL 61 1HG2 VAL 61 -1.167 -12.028 -2.433 474 HG23 VAL 61 2HG2 VAL 61 -1.893 -13.371 -1.517 475 H THR 62 H THR 62 2.181 -12.655 1.087 476 HA THR 62 HA THR 62 2.044 -11.103 3.529 477 HB THR 62 HB THR 62 4.511 -11.919 1.929 478 HG1 THR 62 1HG THR 62 2.532 -13.505 2.663 479 HG21 THR 62 3HG2 THR 62 5.593 -11.270 3.832 480 HG22 THR 62 1HG2 THR 62 4.041 -10.747 4.531 481 HG23 THR 62 2HG2 THR 62 4.608 -12.417 4.772 482 H LEU 63 H LEU 63 4.552 -9.642 2.949 483 HA LEU 63 HA LEU 63 3.273 -7.461 1.491 484 HB2 LEU 63 1HB LEU 63 5.156 -6.131 2.513 485 HB3 LEU 63 2HB LEU 63 3.932 -6.754 3.602 486 HG LEU 63 HG LEU 63 5.977 -8.715 3.503 487 HD11 LEU 63 1HD1 LEU 63 7.864 -7.631 3.054 488 HD12 LEU 63 2HD1 LEU 63 7.036 -6.055 3.045 489 HD13 LEU 63 3HD1 LEU 63 7.633 -6.738 4.576 490 HD21 LEU 63 3HD2 LEU 63 5.178 -8.719 5.580 491 HD22 LEU 63 1HD2 LEU 63 6.268 -7.350 5.905 492 HD23 LEU 63 2HD2 LEU 63 4.577 -7.050 5.438 493 H ASP 64 H ASP 64 6.694 -8.633 1.850 494 HA ASP 64 HA ASP 64 7.532 -7.603 -0.527 495 HB2 ASP 64 1HB ASP 64 8.674 -9.019 1.536 496 HB3 ASP 64 2HB ASP 64 8.706 -10.236 0.275 497 HD2 ASP 64 HD ASP 64 10.767 -8.590 1.586 498 H THR 65 H THR 65 5.261 -10.091 0.032 499 HA THR 65 HA THR 65 5.936 -11.763 -2.211 500 HB THR 65 HB THR 65 3.577 -12.690 -1.527 501 HG1 THR 65 1HG THR 65 2.673 -11.159 -0.192 502 HG21 THR 65 3HG2 THR 65 5.868 -12.522 0.499 503 HG22 THR 65 1HG2 THR 65 4.454 -13.587 0.687 504 HG23 THR 65 2HG2 THR 65 5.580 -13.833 -0.669 505 H LEU 66 H LEU 66 4.914 -8.639 -2.099 506 HA LEU 66 HA LEU 66 4.138 -8.606 -4.762 507 HB2 LEU 66 1HB LEU 66 1.719 -7.927 -4.398 508 HB3 LEU 66 2HB LEU 66 2.113 -9.634 -4.349 509 HG LEU 66 HG LEU 66 2.243 -9.282 -1.762 510 HD11 LEU 66 1HD1 LEU 66 1.733 -6.665 -2.460 511 HD12 LEU 66 2HD1 LEU 66 0.133 -7.264 -1.962 512 HD13 LEU 66 3HD1 LEU 66 1.514 -7.381 -0.846 513 HD21 LEU 66 3HD2 LEU 66 -0.418 -9.266 -3.213 514 HD22 LEU 66 1HD2 LEU 66 0.608 -10.692 -2.927 515 HD23 LEU 66 2HD2 LEU 66 -0.121 -9.830 -1.551 516 H THR 67 H THR 67 3.804 -7.150 -1.489 517 HA THR 67 HA THR 67 3.366 -4.546 -2.087 518 HB THR 67 HB THR 67 3.916 -5.944 0.156 519 HG1 THR 67 1HG THR 67 3.037 -3.736 -0.089 520 HG21 THR 67 3HG2 THR 67 6.535 -5.405 -0.817 521 HG22 THR 67 1HG2 THR 67 6.234 -4.174 0.432 522 HG23 THR 67 2HG2 THR 67 6.099 -5.902 0.835 523 H GLU 68 H GLU 68 4.670 -2.658 -2.430 524 HA GLU 68 HA GLU 68 6.331 -2.872 -4.552 525 HB2 GLU 68 1HB GLU 68 5.741 -0.793 -2.505 526 HB3 GLU 68 2HB GLU 68 7.261 -0.573 -3.348 527 HG2 GLU 68 1HG GLU 68 5.373 -1.298 -5.357 528 HG3 GLU 68 2HG GLU 68 4.544 -0.149 -4.326 529 HE2 GLU 68 HE GLU 68 7.521 1.098 -6.651 530 H LYS 69 H LYS 69 7.010 -3.555 -1.185 531 HA LYS 69 HA LYS 69 9.681 -3.048 -0.967 532 HB2 LYS 69 1HB LYS 69 8.122 -3.886 0.808 533 HB3 LYS 69 2HB LYS 69 8.239 -5.488 0.107 534 HG2 LYS 69 1HG LYS 69 10.863 -5.073 0.316 535 HG3 LYS 69 2HG LYS 69 10.387 -3.867 1.494 536 HD2 LYS 69 1HD LYS 69 8.956 -5.720 2.604 537 HD3 LYS 69 2HD LYS 69 9.795 -6.855 1.565 538 HE2 LYS 69 1HE LYS 69 11.817 -6.615 2.687 539 HE3 LYS 69 2HE LYS 69 11.531 -4.931 3.076 540 HZ1 LYS 69 2HZ LYS 69 11.364 -6.335 5.055 541 HZ3 LYS 69 1HZ LYS 69 10.170 -7.222 4.392 542 H HIS 70 H HIS 70 8.016 -5.483 -2.926 543 HA HIS 70 HA HIS 70 10.325 -7.071 -3.346 544 HB2 HIS 70 1HB HIS 70 7.865 -7.741 -3.557 545 HB3 HIS 70 2HB HIS 70 7.873 -6.926 -5.108 546 HD1 HIS 70 1HD HIS 70 7.427 -9.229 -6.299 547 HD2 HIS 70 2HD HIS 70 11.066 -8.999 -4.225 548 HE1 HIS 70 1HE HIS 70 8.820 -11.221 -7.076 549 H ALA 71 H ALA 71 8.540 -4.635 -5.369 550 HA ALA 71 HA ALA 71 10.305 -4.670 -7.504 551 HB1 ALA 71 3HB ALA 71 9.289 -2.484 -8.049 552 HB2 ALA 71 1HB ALA 71 8.055 -3.657 -7.529 553 HB3 ALA 71 2HB ALA 71 8.608 -2.390 -6.407 554 H GLU 72 H GLU 72 10.380 -2.903 -4.377 555 HA GLU 72 HA GLU 72 12.565 -1.300 -5.138 556 HB2 GLU 72 1HB GLU 72 10.746 -1.431 -2.980 557 HB3 GLU 72 2HB GLU 72 12.313 -1.715 -2.250 558 HG2 GLU 72 1HG GLU 72 13.209 0.345 -3.321 559 HG3 GLU 72 2HG GLU 72 11.670 0.620 -4.113 560 HE2 GLU 72 HE GLU 72 13.277 1.214 -1.107 561 H GLN 73 H GLN 73 12.168 -4.387 -3.312 562 HA GLN 73 HA GLN 73 14.672 -4.676 -2.348 563 HB2 GLN 73 1HB GLN 73 12.397 -6.377 -2.904 564 HB3 GLN 73 2HB GLN 73 13.859 -7.243 -3.332 565 HG2 GLN 73 1HG GLN 73 14.339 -5.870 -0.835 566 HG3 GLN 73 2HG GLN 73 12.808 -6.712 -0.701 567 HE21 GLN 73 2HE2 GLN 73 15.653 -8.935 0.315 568 HE22 GLN 73 1HE2 GLN 73 15.104 -7.352 0.753 569 H GLU 74 H GLU 74 13.505 -5.131 -5.700 570 HA GLU 74 HA GLU 74 16.140 -6.051 -6.463 571 HB2 GLU 74 1HB GLU 74 13.452 -6.487 -7.430 572 HB3 GLU 74 2HB GLU 74 14.399 -5.793 -8.731 573 HG2 GLU 74 1HG GLU 74 15.822 -7.907 -7.193 574 HG3 GLU 74 2HG GLU 74 14.392 -8.475 -8.031 575 HE2 GLU 74 HE GLU 74 14.870 -9.073 -10.075 576 H ASN 75 H ASN 75 15.557 -3.248 -5.523 577 HA ASN 75 HA ASN 75 16.696 -1.961 -7.844 578 HB2 ASN 75 1HB ASN 75 14.006 -1.591 -7.288 579 HB3 ASN 75 2HB ASN 75 14.712 -0.292 -6.347 580 HD21 ASN 75 2HD2 ASN 75 14.095 0.230 -10.213 581 HD22 ASN 75 1HD2 ASN 75 13.307 -0.881 -9.143 582 H MET 76 H MET 76 15.336 -1.214 -4.534 583 HA MET 76 HA MET 76 17.700 0.334 -3.974 584 HB2 MET 76 1HB MET 76 15.147 -0.210 -2.356 585 HB3 MET 76 2HB MET 76 16.391 0.927 -1.879 586 HG2 MET 76 1HG MET 76 14.728 1.090 -4.440 587 HG3 MET 76 2HG MET 76 14.503 2.085 -3.016 588 HE1 MET 76 3HE MET 76 16.634 2.603 -6.577 589 HE2 MET 76 1HE MET 76 14.962 2.389 -6.007 590 HE3 MET 76 2HE MET 76 15.697 4.010 -6.018 591 H THR 77 H THR 77 18.325 0.099 -1.399 592 HA THR 77 HA THR 77 19.101 -2.715 -1.153 593 HB THR 77 HB THR 77 20.941 -1.104 -1.171 594 HG1 THR 77 1HG THR 77 21.730 -1.739 0.917 595 HG21 THR 77 3HG2 THR 77 20.278 1.028 -0.495 596 HG22 THR 77 1HG2 THR 77 19.117 0.395 0.696 597 HG23 THR 77 2HG2 THR 77 20.855 0.426 1.078 598 H LEU 78 H LEU 78 19.380 -3.401 1.284 599 HA LEU 78 HA LEU 78 16.826 -3.707 2.288 600 HB2 LEU 78 1HB LEU 78 19.529 -4.431 2.991 601 HB3 LEU 78 2HB LEU 78 18.626 -3.994 4.428 602 HG LEU 78 HG LEU 78 16.878 -5.638 3.834 603 HD11 LEU 78 1HD1 LEU 78 17.084 -7.161 2.023 604 HD12 LEU 78 2HD1 LEU 78 17.314 -5.528 1.354 605 HD13 LEU 78 3HD1 LEU 78 18.721 -6.583 1.630 606 HD21 LEU 78 3HD2 LEU 78 19.557 -6.174 4.704 607 HD22 LEU 78 1HD2 LEU 78 18.035 -6.964 5.181 608 HD23 LEU 78 2HD2 LEU 78 18.949 -7.568 3.779 609 H THR 79 H THR 79 19.271 -1.168 2.834 610 HA THR 79 HA THR 79 18.185 -0.033 5.130 611 HB THR 79 HB THR 79 19.902 0.876 2.803 612 HG1 THR 79 1HG THR 79 21.205 1.223 4.902 613 HG21 THR 79 3HG2 THR 79 19.169 2.635 5.194 614 HG22 THR 79 1HG2 THR 79 20.204 3.065 3.811 615 HG23 THR 79 2HG2 THR 79 18.451 2.863 3.581 616 H GLU 80 H GLU 80 17.587 0.902 1.673 617 HA GLU 80 HA GLU 80 15.637 2.750 2.349 618 HB2 GLU 80 1HB GLU 80 16.802 1.620 -0.055 619 HB3 GLU 80 2HB GLU 80 15.064 1.715 -0.254 620 HG2 GLU 80 1HG GLU 80 15.511 4.162 0.874 621 HG3 GLU 80 2HG GLU 80 17.061 3.924 0.091 622 HE2 GLU 80 HE GLU 80 13.678 3.815 -0.524 623 H LEU 81 H LEU 81 15.448 -0.737 1.417 624 HA LEU 81 HA LEU 81 12.708 -0.949 1.238 625 HB2 LEU 81 1HB LEU 81 14.914 -2.851 1.951 626 HB3 LEU 81 2HB LEU 81 13.242 -3.371 2.037 627 HG LEU 81 HG LEU 81 14.765 -3.665 -0.144 628 HD11 LEU 81 1HD1 LEU 81 12.457 -3.486 -1.430 629 HD12 LEU 81 2HD1 LEU 81 12.769 -4.769 -0.236 630 HD13 LEU 81 3HD1 LEU 81 11.820 -3.335 0.225 631 HD21 LEU 81 3HD2 LEU 81 15.095 -1.223 -0.407 632 HD22 LEU 81 1HD2 LEU 81 14.326 -1.985 -1.820 633 HD23 LEU 81 2HD2 LEU 81 13.344 -1.042 -0.673 634 H LYS 82 H LYS 82 14.868 -1.002 4.114 635 HA LYS 82 HA LYS 82 12.777 -1.662 5.910 636 HB2 LYS 82 1HB LYS 82 15.478 -1.730 6.034 637 HB3 LYS 82 2HB LYS 82 15.189 -0.231 6.892 638 HG2 LYS 82 1HG LYS 82 14.394 -1.326 8.719 639 HG3 LYS 82 2HG LYS 82 13.274 -2.265 7.752 640 HD2 LYS 82 1HD LYS 82 15.456 -3.613 7.040 641 HD3 LYS 82 2HD LYS 82 16.136 -2.916 8.498 642 HE2 LYS 82 1HE LYS 82 14.875 -4.246 9.876 643 HE3 LYS 82 2HE LYS 82 13.425 -4.038 8.913 644 HZ1 LYS 82 2HZ LYS 82 14.703 -6.333 8.974 645 HZ3 LYS 82 1HZ LYS 82 15.563 -5.673 7.759 646 H LYS 83 H LYS 83 14.116 1.348 4.540 647 HA LYS 83 HA LYS 83 12.935 3.098 6.379 648 HB2 LYS 83 1HB LYS 83 14.631 3.278 4.174 649 HB3 LYS 83 2HB LYS 83 13.201 4.154 3.668 650 HG2 LYS 83 1HG LYS 83 14.657 4.617 6.314 651 HG3 LYS 83 2HG LYS 83 14.886 5.593 4.877 652 HD2 LYS 83 1HD LYS 83 12.645 6.441 4.949 653 HD3 LYS 83 2HD LYS 83 12.109 5.182 6.045 654 HE2 LYS 83 1HE LYS 83 12.987 6.235 7.919 655 HE3 LYS 83 2HE LYS 83 14.346 6.911 7.043 656 HZ1 LYS 83 2HZ LYS 83 12.088 8.117 5.979 657 HZ3 LYS 83 1HZ LYS 83 13.180 8.815 6.965 658 H VAL 84 H VAL 84 11.844 1.971 3.103 659 HA VAL 84 HA VAL 84 9.384 3.312 3.241 660 HB VAL 84 HB VAL 84 8.804 2.003 1.317 661 HG11 VAL 84 1HG1 VAL 84 11.635 2.195 0.617 662 HG12 VAL 84 2HG1 VAL 84 10.240 3.117 0.007 663 HG13 VAL 84 3HG1 VAL 84 11.055 3.623 1.507 664 HG21 VAL 84 3HG2 VAL 84 11.174 0.238 2.016 665 HG22 VAL 84 1HG2 VAL 84 9.454 -0.213 2.092 666 HG23 VAL 84 2HG2 VAL 84 10.216 0.133 0.520 667 H ILE 85 H ILE 85 10.360 -0.102 3.970 668 HA ILE 85 HA ILE 85 7.869 -1.075 4.591 669 HB ILE 85 HB ILE 85 10.649 -1.734 5.493 670 HG12 ILE 85 1HG1 ILE 85 9.578 -2.230 3.159 671 HG13 ILE 85 2HG1 ILE 85 10.558 -3.442 3.961 672 HG21 ILE 85 1HG2 ILE 85 9.480 -2.341 7.436 673 HG22 ILE 85 2HG2 ILE 85 8.075 -2.931 6.516 674 HG23 ILE 85 3HG2 ILE 85 9.603 -3.843 6.488 675 HD11 ILE 85 3HD1 ILE 85 7.647 -3.472 4.651 676 HD12 ILE 85 1HD1 ILE 85 8.069 -3.951 2.990 677 HD13 ILE 85 2HD1 ILE 85 8.765 -4.829 4.373 678 H ALA 86 H ALA 86 10.163 0.839 6.595 679 HA ALA 86 HA ALA 86 8.553 0.629 8.934 680 HB1 ALA 86 3HB ALA 86 10.127 2.445 9.727 681 HB2 ALA 86 1HB ALA 86 10.931 0.970 9.141 682 HB3 ALA 86 2HB ALA 86 10.870 2.419 8.110 683 H ASP 87 H ASP 87 8.557 2.591 6.023 684 HA ASP 87 HA ASP 87 7.141 4.739 7.224 685 HB2 ASP 87 1HB ASP 87 8.318 4.072 4.623 686 HB3 ASP 87 2HB ASP 87 6.727 4.775 4.412 687 HD2 ASP 87 HD ASP 87 9.952 5.871 5.822 688 H ILE 88 H ILE 88 6.463 1.663 5.575 689 HA ILE 88 HA ILE 88 3.667 2.347 5.196 690 HB ILE 88 HB ILE 88 4.801 -0.352 4.632 691 HG12 ILE 88 1HG1 ILE 88 5.881 2.133 3.546 692 HG13 ILE 88 2HG1 ILE 88 6.503 0.498 3.454 693 HG21 ILE 88 1HG2 ILE 88 3.167 -0.456 2.980 694 HG22 ILE 88 2HG2 ILE 88 2.365 0.436 4.294 695 HG23 ILE 88 3HG2 ILE 88 3.004 1.314 2.884 696 HD11 ILE 88 3HD1 ILE 88 4.636 0.062 1.697 697 HD12 ILE 88 1HD1 ILE 88 4.467 1.833 1.637 698 HD13 ILE 88 2HD1 ILE 88 6.014 1.072 1.197 699 H TYR 89 H TYR 89 5.529 -0.372 6.742 700 HA TYR 89 HA TYR 89 4.443 -0.164 9.239 701 HB2 TYR 89 1HB TYR 89 2.695 -2.107 8.926 702 HB3 TYR 89 2HB TYR 89 2.214 -0.527 8.342 703 HD1 TYR 89 2HD TYR 89 3.786 -3.720 7.181 704 HD2 TYR 89 1HD TYR 89 1.491 -0.266 6.128 705 HE1 TYR 89 2HE TYR 89 3.366 -4.694 4.871 706 HE2 TYR 89 1HE TYR 89 1.079 -1.252 3.821 707 HH TYR 89 HH TYR 89 1.946 -2.801 2.347 708 HA PRO 90 HA PRO 90 7.250 -3.451 9.547 709 HB2 PRO 90 2HB PRO 90 7.972 -2.726 11.610 710 HB3 PRO 90 1HB PRO 90 6.984 -4.047 12.201 711 HG2 PRO 90 1HG PRO 90 5.324 -2.618 12.920 712 HG3 PRO 90 2HG PRO 90 6.498 -1.335 12.712 713 HD2 PRO 90 1HD PRO 90 4.084 -1.712 11.210 714 HD3 PRO 90 2HD PRO 90 5.315 -0.498 10.927 715 H GLY 91 H GLY 91 7.290 -5.732 11.023 716 HA2 GLY 91 1HA GLY 91 6.296 -7.758 11.271 717 HA3 GLY 91 2HA GLY 91 4.762 -7.078 10.765 718 H GLN 92 H GLN 92 7.241 -9.203 9.899 719 HA GLN 92 HA GLN 92 6.543 -8.921 7.080 720 HB2 GLN 92 1HB GLN 92 9.038 -8.670 8.005 721 HB3 GLN 92 2HB GLN 92 9.002 -10.422 7.972 722 HG2 GLN 92 1HG GLN 92 7.856 -9.405 5.502 723 HG3 GLN 92 2HG GLN 92 9.406 -8.634 5.771 724 HE21 GLN 92 2HE2 GLN 92 10.194 -11.632 3.867 725 HE22 GLN 92 1HE2 GLN 92 9.437 -10.086 3.673 726 H THR 93 H THR 93 4.556 -10.190 7.882 727 HA THR 93 HA THR 93 5.128 -13.023 7.505 728 HB THR 93 HB THR 93 3.964 -13.673 9.524 729 HG1 THR 93 1HG THR 93 2.575 -12.173 10.474 730 HG21 THR 93 3HG2 THR 93 5.273 -12.737 11.283 731 HG22 THR 93 1HG2 THR 93 6.318 -12.529 9.857 732 HG23 THR 93 2HG2 THR 93 5.377 -11.152 10.478 733 H GLN 94 H GLN 94 3.325 -14.248 6.728 734 HA GLN 94 HA GLN 94 1.929 -13.096 4.784 735 HB2 GLN 94 1HB GLN 94 1.359 -15.492 6.530 736 HB3 GLN 94 2HB GLN 94 0.159 -15.010 5.347 737 HG2 GLN 94 1HG GLN 94 1.594 -15.419 3.515 738 HG3 GLN 94 2HG GLN 94 3.047 -15.242 4.477 739 HE21 GLN 94 2HE2 GLN 94 1.325 -18.845 3.871 740 HE22 GLN 94 1HE2 GLN 94 0.852 -17.368 3.100 741 H PHE 95 H PHE 95 -0.136 -12.121 4.469 742 HA PHE 95 HA PHE 95 -1.882 -11.750 6.697 743 HB2 PHE 95 1HB PHE 95 0.117 -9.702 5.741 744 HB3 PHE 95 2HB PHE 95 -1.506 -9.089 5.987 745 HD1 PHE 95 2HD PHE 95 -2.445 -10.486 8.343 746 HD2 PHE 95 1HD PHE 95 1.428 -8.972 7.494 747 HE1 PHE 95 2HE PHE 95 -1.991 -10.269 10.802 748 HE2 PHE 95 1HE PHE 95 1.882 -8.756 9.953 749 HZ PHE 95 HZ PHE 95 0.167 -9.407 11.578 750 H TYR 96 H TYR 96 -3.543 -9.794 5.898 751 HA TYR 96 HA TYR 96 -4.636 -10.877 3.480 752 HB2 TYR 96 1HB TYR 96 -5.350 -9.299 5.839 753 HB3 TYR 96 2HB TYR 96 -5.841 -8.392 4.422 754 HD1 TYR 96 1HD TYR 96 -6.030 -11.909 5.734 755 HD2 TYR 96 2HD TYR 96 -7.979 -8.755 3.599 756 HE1 TYR 96 1HE TYR 96 -8.132 -13.326 5.547 757 HE2 TYR 96 2HE TYR 96 -10.075 -10.183 3.419 758 HH TYR 96 HH TYR 96 -11.102 -11.980 4.247 759 H VAL 97 H VAL 97 -4.594 -10.031 1.432 760 HA VAL 97 HA VAL 97 -3.254 -7.429 1.160 761 HB VAL 97 HB VAL 97 -3.148 -9.920 -0.541 762 HG11 VAL 97 1HG1 VAL 97 -1.694 -7.393 -1.277 763 HG12 VAL 97 2HG1 VAL 97 -2.148 -8.781 -2.294 764 HG13 VAL 97 3HG1 VAL 97 -3.389 -7.616 -1.772 765 HG21 VAL 97 3HG2 VAL 97 -1.166 -10.303 0.414 766 HG22 VAL 97 1HG2 VAL 97 -0.623 -8.638 0.097 767 HG23 VAL 97 2HG2 VAL 97 -1.546 -9.007 1.574 768 H ILE 98 H ILE 98 -4.230 -5.871 -0.131 769 HA ILE 98 HA ILE 98 -6.724 -6.694 -1.435 770 HB ILE 98 HB ILE 98 -6.458 -4.065 -0.012 771 HG12 ILE 98 1HG1 ILE 98 -5.986 -5.678 1.713 772 HG13 ILE 98 2HG1 ILE 98 -7.613 -5.066 1.930 773 HG21 ILE 98 1HG2 ILE 98 -8.609 -3.756 -0.546 774 HG22 ILE 98 2HG2 ILE 98 -8.334 -5.034 -1.754 775 HG23 ILE 98 3HG2 ILE 98 -9.050 -5.440 -0.175 776 HD11 ILE 98 3HD1 ILE 98 -7.672 -7.387 0.171 777 HD12 ILE 98 1HD1 ILE 98 -6.824 -7.779 1.687 778 HD13 ILE 98 2HD1 ILE 98 -8.487 -7.145 1.735 779 H GLU 99 H GLU 99 -6.616 -6.303 -3.574 780 HA GLU 99 HA GLU 99 -4.618 -4.401 -4.445 781 HB2 GLU 99 1HB GLU 99 -5.091 -6.885 -5.349 782 HB3 GLU 99 2HB GLU 99 -6.246 -6.050 -6.368 783 HG2 GLU 99 1HG GLU 99 -4.478 -4.562 -7.235 784 HG3 GLU 99 2HG GLU 99 -3.307 -5.253 -6.129 785 HE2 GLU 99 HE GLU 99 -5.381 -7.695 -7.732 786 H PHE 100 H PHE 100 -5.100 -2.557 -5.717 787 HA PHE 100 HA PHE 100 -7.873 -2.094 -6.408 788 HB2 PHE 100 1HB PHE 100 -7.914 0.016 -5.121 789 HB3 PHE 100 2HB PHE 100 -7.457 -1.269 -4.020 790 HD1 PHE 100 1HD PHE 100 -5.881 1.250 -6.280 791 HD2 PHE 100 2HD PHE 100 -5.612 -0.956 -2.665 792 HE1 PHE 100 1HE PHE 100 -3.807 2.520 -5.660 793 HE2 PHE 100 2HE PHE 100 -3.537 0.314 -2.045 794 HZ PHE 100 HZ PHE 100 -2.660 2.036 -3.550 795 H LYS 101 H LYS 101 -8.051 0.128 -7.597 796 HA LYS 101 HA LYS 101 -5.535 0.651 -9.012 797 HB2 LYS 101 1HB LYS 101 -8.230 -0.049 -10.141 798 HB3 LYS 101 2HB LYS 101 -7.178 1.032 -11.031 799 HG2 LYS 101 1HG LYS 101 -5.350 -0.873 -10.452 800 HG3 LYS 101 2HG LYS 101 -6.783 -1.876 -10.354 801 HD2 LYS 101 1HD LYS 101 -7.312 -1.601 -12.624 802 HD3 LYS 101 2HD LYS 101 -6.515 -0.044 -12.735 803 HE2 LYS 101 1HE LYS 101 -4.342 -1.582 -12.168 804 HE3 LYS 101 2HE LYS 101 -5.339 -2.802 -12.935 805 HZ1 LYS 101 2HZ LYS 101 -4.429 -0.247 -14.123 806 HZ3 LYS 101 1HZ LYS 101 -5.628 -1.117 -14.799 807 H CYS 102 H CYS 102 -5.393 2.836 -9.940 808 HA CYS 102 HA CYS 102 -6.559 4.714 -8.134 809 HB2 CYS 102 1HB CYS 102 -4.334 5.205 -8.682 810 HB3 CYS 102 2HB CYS 102 -4.568 4.889 -10.390 811 HG CYS 102 HG CYS 102 -6.495 7.112 -8.984 812 H LEU 103 H LEU 103 -8.732 5.160 -8.448 813 HA LEU 103 HA LEU 103 -10.217 4.777 -10.661 814 HB2 LEU 103 1HB LEU 103 -11.683 6.608 -9.768 815 HB3 LEU 103 2HB LEU 103 -11.297 5.302 -8.666 816 HG LEU 103 HG LEU 103 -9.382 6.932 -7.867 817 HD11 LEU 103 1HD1 LEU 103 -10.619 8.548 -9.796 818 HD12 LEU 103 2HD1 LEU 103 -11.131 9.205 -8.223 819 HD13 LEU 103 3HD1 LEU 103 -9.399 9.029 -8.592 820 HD21 LEU 103 3HD2 LEU 103 -10.794 7.691 -6.092 821 HD22 LEU 103 1HD2 LEU 103 -12.256 7.475 -7.084 822 HD23 LEU 103 2HD2 LEU 103 -11.322 6.055 -6.553 Start of MODEL 19 1 H1 MET 1 1H MET 1 -15.552 12.367 11.523 2 HA MET 1 HA MET 1 -17.537 13.246 9.820 3 HB2 MET 1 1HB MET 1 -14.718 14.243 9.263 4 HB3 MET 1 2HB MET 1 -15.751 13.850 7.902 5 HG2 MET 1 1HG MET 1 -17.539 15.374 9.038 6 HG3 MET 1 2HG MET 1 -16.236 15.941 10.064 7 HE1 MET 1 3HE MET 1 -15.977 18.465 9.286 8 HE2 MET 1 1HE MET 1 -14.518 17.472 9.516 9 HE3 MET 1 2HE MET 1 -14.629 18.583 8.130 10 H GLN 2 H GLN 2 -14.295 12.318 8.587 11 HA GLN 2 HA GLN 2 -14.881 9.547 8.745 12 HB2 GLN 2 1HB GLN 2 -16.031 10.806 6.571 13 HB3 GLN 2 2HB GLN 2 -14.491 10.308 5.898 14 HG2 GLN 2 1HG GLN 2 -15.036 7.981 7.044 15 HG3 GLN 2 2HG GLN 2 -16.684 8.578 7.078 16 HE21 GLN 2 2HE2 GLN 2 -17.076 7.104 3.940 17 HE22 GLN 2 1HE2 GLN 2 -17.435 7.081 5.634 18 HA PRO 3 HA PRO 3 -10.514 10.155 8.697 19 HB2 PRO 3 2HB PRO 3 -10.242 9.297 10.816 20 HB3 PRO 3 1HB PRO 3 -9.850 7.822 9.955 21 HG2 PRO 3 1HG PRO 3 -11.889 6.869 10.454 22 HG3 PRO 3 2HG PRO 3 -12.070 8.152 11.633 23 HD2 PRO 3 1HD PRO 3 -13.641 7.765 9.265 24 HD3 PRO 3 2HD PRO 3 -13.744 9.110 10.383 25 H ASN 4 H ASN 4 -8.517 8.875 7.979 26 HA ASN 4 HA ASN 4 -9.031 8.150 5.367 27 HB2 ASN 4 1HB ASN 4 -6.802 8.909 6.257 28 HB3 ASN 4 2HB ASN 4 -6.646 7.405 7.143 29 HD21 ASN 4 2HD2 ASN 4 -6.465 7.397 2.992 30 HD22 ASN 4 1HD2 ASN 4 -7.412 8.559 3.860 31 H ASP 5 H ASP 5 -8.319 5.864 4.453 32 HA ASP 5 HA ASP 5 -9.547 3.870 6.178 33 HB2 ASP 5 1HB ASP 5 -9.057 3.788 3.164 34 HB3 ASP 5 2HB ASP 5 -9.957 2.600 4.087 35 HD2 ASP 5 HD ASP 5 -12.342 5.479 4.601 36 H ILE 6 H ILE 6 -6.792 4.640 3.972 37 HA ILE 6 HA ILE 6 -5.035 2.981 5.456 38 HB ILE 6 HB ILE 6 -5.914 1.134 4.359 39 HG12 ILE 6 1HG1 ILE 6 -3.884 1.419 2.280 40 HG13 ILE 6 2HG1 ILE 6 -3.298 1.951 3.843 41 HG21 ILE 6 1HG2 ILE 6 -6.124 2.921 1.946 42 HG22 ILE 6 2HG2 ILE 6 -6.136 1.148 1.785 43 HG23 ILE 6 3HG2 ILE 6 -7.385 1.962 2.758 44 HD11 ILE 6 3HD1 ILE 6 -3.955 -0.183 4.877 45 HD12 ILE 6 1HD1 ILE 6 -4.690 -0.721 3.348 46 HD13 ILE 6 2HD1 ILE 6 -2.927 -0.497 3.458 47 H THR 7 H THR 7 -2.896 3.610 5.121 48 HA THR 7 HA THR 7 -2.601 5.845 3.238 49 HB THR 7 HB THR 7 -0.467 6.097 4.827 50 HG1 THR 7 1HG THR 7 -0.851 4.043 5.894 51 HG21 THR 7 3HG2 THR 7 -1.666 7.751 5.867 52 HG22 THR 7 1HG2 THR 7 -3.057 7.207 4.898 53 HG23 THR 7 2HG2 THR 7 -2.818 6.574 6.544 54 H PHE 8 H PHE 8 -0.488 6.068 2.120 55 HA PHE 8 HA PHE 8 0.865 3.528 1.715 56 HB2 PHE 8 1HB PHE 8 -0.272 5.311 -0.519 57 HB3 PHE 8 2HB PHE 8 0.553 3.783 -0.755 58 HD1 PHE 8 2HD PHE 8 -2.492 5.256 0.788 59 HD2 PHE 8 1HD PHE 8 -0.664 1.793 -0.848 60 HE1 PHE 8 2HE PHE 8 -4.693 4.053 0.874 61 HE2 PHE 8 1HE PHE 8 -2.866 0.591 -0.762 62 HZ PHE 8 HZ PHE 8 -4.854 1.735 0.098 63 H PHE 9 H PHE 9 3.022 3.906 1.848 64 HA PHE 9 HA PHE 9 4.215 6.255 2.257 65 HB2 PHE 9 1HB PHE 9 5.169 3.864 2.229 66 HB3 PHE 9 2HB PHE 9 5.254 3.965 0.482 67 HD1 PHE 9 1HD PHE 9 6.076 6.723 2.806 68 HD2 PHE 9 2HD PHE 9 7.590 3.725 0.213 69 HE1 PHE 9 1HE PHE 9 8.368 7.733 2.976 70 HE2 PHE 9 2HE PHE 9 9.882 4.735 0.382 71 HZ PHE 9 HZ PHE 9 10.243 6.727 1.761 72 H GLN 10 H GLN 10 5.658 7.650 0.911 73 HA GLN 10 HA GLN 10 4.312 8.823 -1.118 74 HB2 GLN 10 1HB GLN 10 6.265 9.783 0.120 75 HB3 GLN 10 2HB GLN 10 7.341 8.721 -0.766 76 HG2 GLN 10 1HG GLN 10 5.805 9.955 -2.783 77 HG3 GLN 10 2HG GLN 10 6.086 11.241 -1.626 78 HE21 GLN 10 2HE2 GLN 10 9.166 9.517 -3.768 79 HE22 GLN 10 1HE2 GLN 10 7.602 8.785 -3.634 80 H ARG 11 H ARG 11 7.053 6.450 -1.414 81 HA ARG 11 HA ARG 11 7.177 6.371 -4.109 82 HB2 ARG 11 1HB ARG 11 7.450 3.964 -2.239 83 HB3 ARG 11 2HB ARG 11 8.164 4.106 -3.833 84 HG2 ARG 11 1HG ARG 11 9.350 6.240 -2.938 85 HG3 ARG 11 2HG ARG 11 8.850 5.717 -1.342 86 HD2 ARG 11 1HD ARG 11 10.965 4.715 -1.492 87 HD3 ARG 11 2HD ARG 11 9.940 3.402 -2.036 88 HE ARG 11 HE ARG 11 11.701 5.078 -3.737 89 HH11 ARG 11 2HH2 ARG 11 9.254 2.521 -3.575 90 HH12 ARG 11 1HH2 ARG 11 9.587 1.929 -5.168 91 HH21 ARG 11 1HH ARG 11 11.289 2.989 -6.481 92 H PHE 12 H PHE 12 5.080 4.398 -1.898 93 HA PHE 12 HA PHE 12 3.886 2.884 -3.920 94 HB2 PHE 12 1HB PHE 12 3.410 3.696 -1.045 95 HB3 PHE 12 2HB PHE 12 2.020 3.040 -1.886 96 HD1 PHE 12 2HD PHE 12 5.551 2.281 -1.014 97 HD2 PHE 12 1HD PHE 12 1.758 0.726 -2.112 98 HE1 PHE 12 2HE PHE 12 6.372 -0.046 -0.554 99 HE2 PHE 12 1HE PHE 12 2.579 -1.601 -1.653 100 HZ PHE 12 HZ PHE 12 4.876 -1.959 -0.880 101 H GLN 13 H GLN 13 3.200 6.126 -2.580 102 HA GLN 13 HA GLN 13 0.623 6.311 -3.642 103 HB2 GLN 13 1HB GLN 13 2.481 7.984 -2.170 104 HB3 GLN 13 2HB GLN 13 1.769 8.923 -3.467 105 HG2 GLN 13 1HG GLN 13 -0.236 7.244 -2.110 106 HG3 GLN 13 2HG GLN 13 0.574 8.320 -0.989 107 HE21 GLN 13 2HE2 GLN 13 -1.540 9.880 -4.208 108 HE22 GLN 13 1HE2 GLN 13 -0.760 8.336 -4.293 109 H ASP 14 H ASP 14 3.878 7.363 -4.824 110 HA ASP 14 HA ASP 14 3.017 8.690 -7.056 111 HB2 ASP 14 1HB ASP 14 5.313 8.897 -6.495 112 HB3 ASP 14 2HB ASP 14 5.531 7.165 -6.334 113 HD2 ASP 14 HD ASP 14 7.406 7.782 -8.941 114 H ASP 15 H ASP 15 3.995 5.217 -6.577 115 HA ASP 15 HA ASP 15 3.760 4.374 -9.146 116 HB2 ASP 15 1HB ASP 15 3.892 3.203 -6.504 117 HB3 ASP 15 2HB ASP 15 2.674 2.334 -7.417 118 HD2 ASP 15 HD ASP 15 3.855 0.481 -7.810 119 H ILE 16 H ILE 16 1.266 4.498 -6.500 120 HA ILE 16 HA ILE 16 -0.827 3.392 -7.954 121 HB ILE 16 HB ILE 16 -0.768 5.314 -5.631 122 HG12 ILE 16 1HG1 ILE 16 -1.465 2.382 -5.565 123 HG13 ILE 16 2HG1 ILE 16 0.205 2.910 -5.506 124 HG21 ILE 16 1HG2 ILE 16 -3.197 3.923 -5.602 125 HG22 ILE 16 2HG2 ILE 16 -2.942 5.655 -5.922 126 HG23 ILE 16 3HG2 ILE 16 -3.006 4.501 -7.275 127 HD11 ILE 16 3HD1 ILE 16 -2.004 3.775 -3.584 128 HD12 ILE 16 1HD1 ILE 16 -0.681 2.641 -3.222 129 HD13 ILE 16 2HD1 ILE 16 -0.323 4.357 -3.534 130 H LEU 17 H LEU 17 0.371 6.775 -7.669 131 HA LEU 17 HA LEU 17 -1.730 7.987 -9.025 132 HB2 LEU 17 1HB LEU 17 -0.576 9.781 -8.495 133 HB3 LEU 17 2HB LEU 17 0.666 8.737 -7.832 134 HG LEU 17 HG LEU 17 1.511 8.689 -10.347 135 HD11 LEU 17 1HD1 LEU 17 1.172 11.210 -11.111 136 HD12 LEU 17 2HD1 LEU 17 0.047 9.916 -11.589 137 HD13 LEU 17 3HD1 LEU 17 -0.368 11.004 -10.243 138 HD21 LEU 17 3HD2 LEU 17 2.674 11.023 -9.662 139 HD22 LEU 17 1HD2 LEU 17 2.020 10.530 -8.081 140 HD23 LEU 17 2HD2 LEU 17 3.125 9.449 -8.964 141 H ALA 18 H ALA 18 0.858 5.895 -10.129 142 HA ALA 18 HA ALA 18 0.784 6.791 -12.839 143 HB1 ALA 18 3HB ALA 18 1.758 4.066 -12.053 144 HB2 ALA 18 1HB ALA 18 2.484 5.263 -13.152 145 HB3 ALA 18 2HB ALA 18 2.610 5.481 -11.390 146 H GLY 19 H GLY 19 -1.508 5.307 -10.926 147 HA2 GLY 19 1HA GLY 19 -3.367 4.118 -11.347 148 HA3 GLY 19 2HA GLY 19 -3.227 4.663 -13.006 149 H ARG 20 H ARG 20 -0.855 2.635 -11.193 150 HA ARG 20 HA ARG 20 -1.269 0.629 -13.244 151 HB2 ARG 20 1HB ARG 20 1.062 1.603 -11.688 152 HB3 ARG 20 2HB ARG 20 0.980 -0.146 -11.762 153 HG2 ARG 20 1HG ARG 20 0.798 -0.040 -14.251 154 HG3 ARG 20 2HG ARG 20 0.856 1.710 -14.187 155 HD2 ARG 20 1HD ARG 20 3.126 1.688 -14.084 156 HD3 ARG 20 2HD ARG 20 3.098 0.647 -12.675 157 HE ARG 20 HE ARG 20 3.407 -1.242 -14.061 158 HH11 ARG 20 2HH2 ARG 20 2.745 1.618 -16.046 159 HH12 ARG 20 1HH2 ARG 20 3.179 0.840 -17.531 160 HH21 ARG 20 1HH ARG 20 3.902 -1.445 -17.493 161 H LYS 21 H LYS 21 -2.882 -0.776 -12.528 162 HA LYS 21 HA LYS 21 -3.749 -1.304 -10.074 163 HB2 LYS 21 1HB LYS 21 -3.318 -3.434 -12.188 164 HB3 LYS 21 2HB LYS 21 -4.489 -3.475 -10.885 165 HG2 LYS 21 1HG LYS 21 -5.968 -2.276 -12.114 166 HG3 LYS 21 2HG LYS 21 -4.811 -0.974 -12.303 167 HD2 LYS 21 1HD LYS 21 -4.510 -1.525 -14.479 168 HD3 LYS 21 2HD LYS 21 -3.961 -3.124 -14.019 169 HE2 LYS 21 1HE LYS 21 -6.748 -3.266 -13.664 170 HE3 LYS 21 2HE LYS 21 -6.572 -2.287 -15.107 171 HZ1 LYS 21 2HZ LYS 21 -6.605 -4.724 -15.547 172 HZ3 LYS 21 1HZ LYS 21 -5.201 -4.896 -14.741 173 H THR 22 H THR 22 -2.535 -1.458 -8.247 174 HA THR 22 HA THR 22 -0.459 -3.548 -8.256 175 HB THR 22 HB THR 22 -0.415 -0.783 -6.933 176 HG1 THR 22 1HG THR 22 0.962 -2.182 -9.113 177 HG21 THR 22 3HG2 THR 22 1.998 -1.409 -6.481 178 HG22 THR 22 1HG2 THR 22 0.845 -2.393 -5.546 179 HG23 THR 22 2HG2 THR 22 1.622 -3.071 -6.998 180 H ILE 23 H ILE 23 -0.080 -4.601 -6.191 181 HA ILE 23 HA ILE 23 -2.582 -4.710 -4.683 182 HB ILE 23 HB ILE 23 -0.667 -6.758 -4.025 183 HG12 ILE 23 1HG1 ILE 23 -1.199 -6.287 -6.959 184 HG13 ILE 23 2HG1 ILE 23 0.336 -6.547 -6.155 185 HG21 ILE 23 1HG2 ILE 23 -3.423 -6.426 -4.231 186 HG22 ILE 23 2HG2 ILE 23 -3.022 -7.601 -5.507 187 HG23 ILE 23 3HG2 ILE 23 -2.550 -7.923 -3.821 188 HD11 ILE 23 3HD1 ILE 23 0.132 -8.749 -6.643 189 HD12 ILE 23 1HD1 ILE 23 -1.220 -8.820 -5.488 190 HD13 ILE 23 2HD1 ILE 23 -1.538 -8.515 -7.213 191 H THR 24 H THR 24 -2.491 -4.830 -2.315 192 HA THR 24 HA THR 24 -0.015 -3.779 -1.162 193 HB THR 24 HB THR 24 -1.322 -2.004 -0.006 194 HG1 THR 24 1HG THR 24 -3.333 -3.359 -0.120 195 HG21 THR 24 3HG2 THR 24 -0.539 -1.742 -2.551 196 HG22 THR 24 1HG2 THR 24 -2.288 -1.819 -2.872 197 HG23 THR 24 2HG2 THR 24 -1.631 -0.536 -1.828 198 H ILE 25 H ILE 25 -0.346 -3.672 1.372 199 HA ILE 25 HA ILE 25 -1.812 -6.104 2.122 200 HB ILE 25 HB ILE 25 0.869 -5.254 3.214 201 HG12 ILE 25 1HG1 ILE 25 1.458 -7.510 1.905 202 HG13 ILE 25 2HG1 ILE 25 0.152 -6.964 0.872 203 HG21 ILE 25 1HG2 ILE 25 -0.239 -8.013 3.465 204 HG22 ILE 25 2HG2 ILE 25 0.826 -7.096 4.557 205 HG23 ILE 25 3HG2 ILE 25 -0.916 -6.734 4.502 206 HD11 ILE 25 3HD1 ILE 25 2.006 -5.909 -0.107 207 HD12 ILE 25 1HD1 ILE 25 1.395 -4.629 0.968 208 HD13 ILE 25 2HD1 ILE 25 2.793 -5.614 1.462 209 H ARG 26 H ARG 26 -2.942 -6.031 4.079 210 HA ARG 26 HA ARG 26 -2.715 -3.523 5.518 211 HB2 ARG 26 1HB ARG 26 -5.462 -4.332 5.640 212 HB3 ARG 26 2HB ARG 26 -4.809 -2.886 4.895 213 HG2 ARG 26 1HG ARG 26 -4.806 -5.571 3.456 214 HG3 ARG 26 2HG ARG 26 -6.181 -4.487 3.381 215 HD2 ARG 26 1HD ARG 26 -3.598 -3.130 2.840 216 HD3 ARG 26 2HD ARG 26 -3.961 -4.402 1.691 217 HE ARG 26 HE ARG 26 -6.341 -3.134 1.711 218 HH11 ARG 26 2HH2 ARG 26 -3.081 -1.748 1.631 219 HH12 ARG 26 1HH2 ARG 26 -3.572 -0.327 0.771 220 HH21 ARG 26 1HH ARG 26 -5.875 -0.060 0.163 221 H ASP 27 H ASP 27 -4.120 -3.757 7.698 222 HA ASP 27 HA ASP 27 -3.335 -6.326 8.776 223 HB2 ASP 27 1HB ASP 27 -2.485 -4.464 10.043 224 HB3 ASP 27 2HB ASP 27 -4.023 -3.626 9.994 225 HD2 ASP 27 HD ASP 27 -2.754 -3.954 12.254 226 H GLU 28 H GLU 28 -4.919 -7.803 9.497 227 HA GLU 28 HA GLU 28 -7.498 -7.555 8.651 228 HB2 GLU 28 1HB GLU 28 -6.753 -9.739 9.139 229 HB3 GLU 28 2HB GLU 28 -6.133 -9.290 10.715 230 HG2 GLU 28 1HG GLU 28 -8.192 -10.579 11.016 231 HG3 GLU 28 2HG GLU 28 -8.480 -8.927 11.527 232 HE2 GLU 28 HE GLU 28 -9.898 -10.670 8.309 233 H SER 29 H SER 29 -6.046 -6.780 11.863 234 HA SER 29 HA SER 29 -8.419 -6.277 13.169 235 HB2 SER 29 1HB SER 29 -6.597 -6.411 14.607 236 HB3 SER 29 2HB SER 29 -5.545 -5.499 13.542 237 HG SER 29 HG SER 29 -5.939 -3.935 14.978 238 H GLU 30 H GLU 30 -6.818 -4.554 10.615 239 HA GLU 30 HA GLU 30 -8.522 -2.251 11.170 240 HB2 GLU 30 1HB GLU 30 -5.666 -2.432 10.277 241 HB3 GLU 30 2HB GLU 30 -6.637 -1.175 9.537 242 HG2 GLU 30 1HG GLU 30 -7.324 -0.402 11.848 243 HG3 GLU 30 2HG GLU 30 -6.251 -1.603 12.537 244 HE2 GLU 30 HE GLU 30 -5.830 1.764 11.869 245 H SER 31 H SER 31 -8.789 -4.917 9.570 246 HA SER 31 HA SER 31 -8.630 -4.723 6.958 247 HB2 SER 31 1HB SER 31 -9.863 -6.598 7.182 248 HB3 SER 31 2HB SER 31 -10.304 -6.127 8.812 249 HG SER 31 HG SER 31 -12.285 -5.810 8.091 250 H HIS 32 H HIS 32 -10.120 -4.028 5.181 251 HA HIS 32 HA HIS 32 -11.273 -1.451 5.857 252 HB2 HIS 32 1HB HIS 32 -11.213 -1.011 3.473 253 HB3 HIS 32 2HB HIS 32 -9.643 -1.541 4.042 254 HD1 HIS 32 1HD HIS 32 -12.033 -2.143 1.401 255 HD2 HIS 32 2HD HIS 32 -9.248 -4.488 3.486 256 HE1 HIS 32 1HE HIS 32 -11.628 -4.215 -0.032 257 H PHE 33 H PHE 33 -12.903 -1.830 3.209 258 HA PHE 33 HA PHE 33 -15.201 -2.955 4.586 259 HB2 PHE 33 1HB PHE 33 -15.281 -1.845 1.777 260 HB3 PHE 33 2HB PHE 33 -16.400 -1.556 3.095 261 HD1 PHE 33 2HD PHE 33 -13.236 -0.517 1.567 262 HD2 PHE 33 1HD PHE 33 -16.024 0.235 4.677 263 HE1 PHE 33 2HE PHE 33 -12.164 1.713 1.988 264 HE2 PHE 33 1HE PHE 33 -14.951 2.465 5.098 265 HZ PHE 33 HZ PHE 33 -13.034 3.177 3.749 266 H LYS 34 H LYS 34 -13.930 -3.063 1.176 267 HA LYS 34 HA LYS 34 -13.535 -5.745 0.984 268 HB2 LYS 34 1HB LYS 34 -15.771 -6.323 -0.271 269 HB3 LYS 34 2HB LYS 34 -15.644 -6.494 1.468 270 HG2 LYS 34 1HG LYS 34 -17.166 -4.838 1.858 271 HG3 LYS 34 2HG LYS 34 -16.423 -3.759 0.694 272 HD2 LYS 34 1HD LYS 34 -17.790 -4.453 -1.044 273 HD3 LYS 34 2HD LYS 34 -17.872 -6.106 -0.468 274 HE2 LYS 34 1HE LYS 34 -19.263 -5.035 1.538 275 HE3 LYS 34 2HE LYS 34 -19.503 -3.712 0.415 276 HZ1 LYS 34 2HZ LYS 34 -20.326 -5.411 -1.210 277 HZ3 LYS 34 1HZ LYS 34 -21.270 -5.288 0.111 278 H THR 35 H THR 35 -14.345 -6.383 -1.587 279 HA THR 35 HA THR 35 -12.800 -4.455 -3.087 280 HB THR 35 HB THR 35 -14.160 -7.003 -4.078 281 HG1 THR 35 1HG THR 35 -11.548 -6.596 -2.809 282 HG21 THR 35 3HG2 THR 35 -11.460 -5.706 -4.722 283 HG22 THR 35 1HG2 THR 35 -12.156 -7.143 -5.508 284 HG23 THR 35 2HG2 THR 35 -12.910 -5.548 -5.742 285 H GLY 36 H GLY 36 -13.496 -3.467 -5.084 286 HA2 GLY 36 1HA GLY 36 -15.049 -2.601 -6.519 287 HA3 GLY 36 2HA GLY 36 -16.337 -3.402 -5.640 288 H ASP 37 H ASP 37 -14.846 -2.178 -3.075 289 HA ASP 37 HA ASP 37 -16.545 0.118 -3.054 290 HB2 ASP 37 1HB ASP 37 -15.167 -1.595 -1.111 291 HB3 ASP 37 2HB ASP 37 -14.929 0.097 -0.720 292 HD2 ASP 37 HD ASP 37 -18.740 -1.121 -0.865 293 H VAL 38 H VAL 38 -15.102 1.925 -1.415 294 HA VAL 38 HA VAL 38 -12.894 2.666 -3.200 295 HB VAL 38 HB VAL 38 -15.105 4.105 -1.931 296 HG11 VAL 38 1HG1 VAL 38 -13.732 6.219 -1.663 297 HG12 VAL 38 2HG1 VAL 38 -13.487 4.975 -0.413 298 HG13 VAL 38 3HG1 VAL 38 -12.282 5.186 -1.707 299 HG21 VAL 38 3HG2 VAL 38 -13.376 4.290 -4.359 300 HG22 VAL 38 1HG2 VAL 38 -15.148 4.345 -4.204 301 HG23 VAL 38 2HG2 VAL 38 -14.175 5.779 -3.797 302 H LEU 39 H LEU 39 -10.944 3.565 -2.223 303 HA LEU 39 HA LEU 39 -10.664 2.938 0.619 304 HB2 LEU 39 1HB LEU 39 -9.050 1.850 -1.662 305 HB3 LEU 39 2HB LEU 39 -8.303 2.099 -0.096 306 HG LEU 39 HG LEU 39 -10.854 0.520 -0.293 307 HD11 LEU 39 1HD1 LEU 39 -9.720 -1.507 -0.773 308 HD12 LEU 39 2HD1 LEU 39 -9.211 -0.333 -2.010 309 HD13 LEU 39 3HD1 LEU 39 -8.124 -0.728 -0.657 310 HD21 LEU 39 3HD2 LEU 39 -8.589 0.797 1.653 311 HD22 LEU 39 1HD2 LEU 39 -10.347 0.842 1.930 312 HD23 LEU 39 2HD2 LEU 39 -9.536 -0.709 1.606 313 H ARG 40 H ARG 40 -10.293 4.891 1.529 314 HA ARG 40 HA ARG 40 -9.364 7.052 0.096 315 HB2 ARG 40 1HB ARG 40 -9.657 6.400 3.039 316 HB3 ARG 40 2HB ARG 40 -8.804 7.865 2.595 317 HG2 ARG 40 1HG ARG 40 -11.136 7.833 0.963 318 HG3 ARG 40 2HG ARG 40 -11.677 7.324 2.551 319 HD2 ARG 40 1HD ARG 40 -11.236 9.377 3.516 320 HD3 ARG 40 2HD ARG 40 -9.788 9.637 2.563 321 HE ARG 40 HE ARG 40 -11.708 9.872 0.644 322 HH11 ARG 40 2HH2 ARG 40 -11.494 11.291 3.884 323 HH12 ARG 40 1HH2 ARG 40 -12.401 12.704 3.460 324 HH21 ARG 40 1HH ARG 40 -13.220 12.946 1.221 325 H VAL 41 H VAL 41 -7.295 7.801 -0.387 326 HA VAL 41 HA VAL 41 -5.081 6.263 0.781 327 HB VAL 41 HB VAL 41 -5.325 5.891 -1.583 328 HG11 VAL 41 1HG1 VAL 41 -4.691 8.402 -2.750 329 HG12 VAL 41 2HG1 VAL 41 -6.184 7.449 -2.925 330 HG13 VAL 41 3HG1 VAL 41 -6.054 8.670 -1.636 331 HG21 VAL 41 3HG2 VAL 41 -3.082 5.779 -1.308 332 HG22 VAL 41 1HG2 VAL 41 -3.086 7.274 -2.275 333 HG23 VAL 41 2HG2 VAL 41 -2.993 7.362 -0.499 334 H GLY 42 H GLY 42 -3.436 7.350 1.828 335 HA2 GLY 42 1HA GLY 42 -3.740 10.291 1.971 336 HA3 GLY 42 2HA GLY 42 -3.281 9.276 3.324 337 H ARG 43 H ARG 43 -1.176 9.830 3.785 338 HA ARG 43 HA ARG 43 0.851 8.887 2.254 339 HB2 ARG 43 1HB ARG 43 -0.089 11.065 0.900 340 HB3 ARG 43 2HB ARG 43 1.036 11.876 1.970 341 HG2 ARG 43 1HG ARG 43 2.828 10.222 1.228 342 HG3 ARG 43 2HG ARG 43 1.691 9.591 0.053 343 HD2 ARG 43 1HD ARG 43 1.594 12.380 -0.357 344 HD3 ARG 43 2HD ARG 43 3.289 12.065 -0.044 345 HE ARG 43 HE ARG 43 2.153 10.132 -1.905 346 HH11 ARG 43 2HH2 ARG 43 3.518 13.394 -1.673 347 HH12 ARG 43 1HH2 ARG 43 4.013 13.439 -3.332 348 HH21 ARG 43 1HH ARG 43 3.585 11.545 -4.737 349 H PHE 44 H PHE 44 2.554 8.700 3.700 350 HA PHE 44 HA PHE 44 2.328 10.019 6.214 351 HB2 PHE 44 1HB PHE 44 3.353 7.650 5.260 352 HB3 PHE 44 2HB PHE 44 4.827 8.598 5.252 353 HD1 PHE 44 1HD PHE 44 5.388 9.844 7.485 354 HD2 PHE 44 2HD PHE 44 2.718 6.557 7.205 355 HE1 PHE 44 1HE PHE 44 5.697 9.384 9.933 356 HE2 PHE 44 2HE PHE 44 3.028 6.097 9.652 357 HZ PHE 44 HZ PHE 44 4.514 7.515 10.987 358 H GLU 45 H GLU 45 4.065 10.567 3.184 359 HA GLU 45 HA GLU 45 6.269 11.862 3.900 360 HB2 GLU 45 1HB GLU 45 4.367 12.041 1.651 361 HB3 GLU 45 2HB GLU 45 5.259 13.530 1.895 362 HG2 GLU 45 1HG GLU 45 6.636 10.812 1.788 363 HG3 GLU 45 2HG GLU 45 6.345 11.767 0.348 364 HE2 GLU 45 HE GLU 45 8.006 14.114 0.553 365 H ASP 46 H ASP 46 2.922 12.979 4.348 366 HA ASP 46 HA ASP 46 4.031 15.271 5.757 367 HB2 ASP 46 1HB ASP 46 1.685 16.330 5.001 368 HB3 ASP 46 2HB ASP 46 3.114 16.458 3.995 369 HD2 ASP 46 HD ASP 46 2.191 14.835 1.475 370 H ASP 47 H ASP 47 1.087 13.238 5.070 371 HA ASP 47 HA ASP 47 0.707 12.264 7.523 372 HB2 ASP 47 1HB ASP 47 0.209 15.063 7.623 373 HB3 ASP 47 2HB ASP 47 -1.378 14.319 7.620 374 HD2 ASP 47 HD ASP 47 -1.903 13.061 9.361 375 H GLY 48 H GLY 48 -0.477 13.600 4.504 376 HA2 GLY 48 1HA GLY 48 -1.998 11.468 3.726 377 HA3 GLY 48 2HA GLY 48 -3.120 12.493 4.597 378 H TYR 49 H TYR 49 -2.560 11.772 1.585 379 HA TYR 49 HA TYR 49 -2.025 14.403 0.497 380 HB2 TYR 49 1HB TYR 49 -1.177 12.186 -0.451 381 HB3 TYR 49 2HB TYR 49 -2.837 11.671 -0.681 382 HD1 TYR 49 2HD TYR 49 -2.050 15.173 -1.347 383 HD2 TYR 49 1HD TYR 49 -2.309 11.268 -3.077 384 HE1 TYR 49 2HE TYR 49 -2.048 16.196 -3.675 385 HE2 TYR 49 1HE TYR 49 -2.306 12.304 -5.399 386 HH TYR 49 HH TYR 49 -2.033 14.127 -6.553 387 H PHE 50 H PHE 50 -4.742 12.554 1.593 388 HA PHE 50 HA PHE 50 -6.911 12.952 1.560 389 HB2 PHE 50 1HB PHE 50 -6.303 15.523 0.005 390 HB3 PHE 50 2HB PHE 50 -7.633 15.252 1.113 391 HD1 PHE 50 2HD PHE 50 -7.098 14.988 3.587 392 HD2 PHE 50 1HD PHE 50 -4.269 16.419 0.767 393 HE1 PHE 50 2HE PHE 50 -5.749 15.992 5.450 394 HE2 PHE 50 1HE PHE 50 -2.919 17.423 2.630 395 HZ PHE 50 HZ PHE 50 -3.675 17.198 4.949 396 H CYS 51 H CYS 51 -6.354 11.149 -0.245 397 HA CYS 51 HA CYS 51 -7.818 12.041 -2.616 398 HB2 CYS 51 1HB CYS 51 -5.350 10.274 -2.582 399 HB3 CYS 51 2HB CYS 51 -6.399 10.472 -3.972 400 HG CYS 51 HG CYS 51 -4.863 12.856 -2.256 401 H THR 52 H THR 52 -8.188 9.600 -3.867 402 HA THR 52 HA THR 52 -8.944 7.619 -1.897 403 HB THR 52 HB THR 52 -11.031 9.003 -3.663 404 HG1 THR 52 1HG THR 52 -11.666 9.812 -1.511 405 HG21 THR 52 3HG2 THR 52 -11.494 7.188 -1.262 406 HG22 THR 52 1HG2 THR 52 -12.651 7.661 -2.529 407 HG23 THR 52 2HG2 THR 52 -11.349 6.505 -2.899 408 H ILE 53 H ILE 53 -9.552 5.564 -2.864 409 HA ILE 53 HA ILE 53 -8.989 5.383 -5.715 410 HB ILE 53 HB ILE 53 -7.252 3.888 -5.551 411 HG12 ILE 53 1HG1 ILE 53 -6.576 2.950 -3.209 412 HG13 ILE 53 2HG1 ILE 53 -8.216 3.362 -2.749 413 HG21 ILE 53 1HG2 ILE 53 -6.578 5.506 -3.109 414 HG22 ILE 53 2HG2 ILE 53 -5.545 5.032 -4.479 415 HG23 ILE 53 3HG2 ILE 53 -6.785 6.292 -4.693 416 HD11 ILE 53 3HD1 ILE 53 -7.902 1.894 -5.344 417 HD12 ILE 53 1HD1 ILE 53 -7.569 0.977 -3.854 418 HD13 ILE 53 2HD1 ILE 53 -9.160 1.738 -4.094 419 H GLU 54 H GLU 54 -9.483 3.039 -6.480 420 HA GLU 54 HA GLU 54 -11.751 2.102 -4.900 421 HB2 GLU 54 1HB GLU 54 -11.731 3.089 -7.555 422 HB3 GLU 54 2HB GLU 54 -11.889 1.352 -7.721 423 HG2 GLU 54 1HG GLU 54 -13.758 1.464 -5.957 424 HG3 GLU 54 2HG GLU 54 -13.681 3.209 -6.094 425 HE2 GLU 54 HE GLU 54 -16.143 2.690 -8.433 426 H VAL 55 H VAL 55 -11.916 -0.127 -4.509 427 HA VAL 55 HA VAL 55 -9.504 -1.606 -4.873 428 HB VAL 55 HB VAL 55 -11.985 -2.964 -4.007 429 HG11 VAL 55 1HG1 VAL 55 -9.088 -2.883 -3.303 430 HG12 VAL 55 2HG1 VAL 55 -10.232 -3.311 -2.008 431 HG13 VAL 55 3HG1 VAL 55 -10.183 -4.271 -3.506 432 HG21 VAL 55 3HG2 VAL 55 -12.682 -1.097 -2.888 433 HG22 VAL 55 1HG2 VAL 55 -11.522 -1.717 -1.689 434 HG23 VAL 55 2HG2 VAL 55 -11.045 -0.404 -2.791 435 H THR 56 H THR 56 -9.478 -3.824 -5.874 436 HA THR 56 HA THR 56 -11.417 -4.100 -8.052 437 HB THR 56 HB THR 56 -9.273 -2.831 -8.767 438 HG1 THR 56 1HG THR 56 -10.687 -4.079 -10.211 439 HG21 THR 56 3HG2 THR 56 -7.587 -4.188 -7.538 440 HG22 THR 56 1HG2 THR 56 -8.149 -5.655 -8.374 441 HG23 THR 56 2HG2 THR 56 -7.348 -4.359 -9.294 442 H ALA 57 H ALA 57 -8.709 -5.525 -6.144 443 HA ALA 57 HA ALA 57 -10.231 -7.988 -6.037 444 HB1 ALA 57 3HB ALA 57 -8.164 -7.637 -7.944 445 HB2 ALA 57 1HB ALA 57 -7.474 -8.639 -6.645 446 HB3 ALA 57 2HB ALA 57 -8.961 -9.157 -7.475 447 H THR 58 H THR 58 -9.026 -9.581 -4.498 448 HA THR 58 HA THR 58 -7.244 -8.247 -2.640 449 HB THR 58 HB THR 58 -10.144 -8.949 -2.074 450 HG1 THR 58 1HG THR 58 -9.981 -6.801 -1.355 451 HG21 THR 58 3HG2 THR 58 -9.180 -8.388 0.406 452 HG22 THR 58 1HG2 THR 58 -9.362 -10.061 -0.176 453 HG23 THR 58 2HG2 THR 58 -7.773 -9.263 -0.244 454 H SER 59 H SER 59 -6.140 -9.701 -1.222 455 HA SER 59 HA SER 59 -6.713 -12.476 -1.491 456 HB2 SER 59 1HB SER 59 -3.959 -12.424 -2.142 457 HB3 SER 59 2HB SER 59 -5.280 -12.949 -3.167 458 HG SER 59 HG SER 59 -5.513 -10.719 -3.898 459 H THR 60 H THR 60 -4.921 -13.776 -0.195 460 HA THR 60 HA THR 60 -4.053 -12.073 2.049 461 HB THR 60 HB THR 60 -4.315 -14.568 3.135 462 HG1 THR 60 1HG THR 60 -5.349 -15.710 1.536 463 HG21 THR 60 3HG2 THR 60 -6.180 -12.249 2.814 464 HG22 THR 60 1HG2 THR 60 -6.957 -13.794 3.235 465 HG23 THR 60 2HG2 THR 60 -5.698 -13.114 4.293 466 H VAL 61 H VAL 61 -1.932 -11.681 1.818 467 HA VAL 61 HA VAL 61 -0.181 -13.955 1.800 468 HB VAL 61 HB VAL 61 0.524 -12.035 -0.324 469 HG11 VAL 61 1HG1 VAL 61 1.404 -14.511 0.536 470 HG12 VAL 61 2HG1 VAL 61 0.478 -14.905 -0.932 471 HG13 VAL 61 3HG1 VAL 61 1.818 -13.736 -1.012 472 HG21 VAL 61 3HG2 VAL 61 -1.674 -14.063 -0.837 473 HG22 VAL 61 1HG2 VAL 61 -1.944 -12.314 -0.649 474 HG23 VAL 61 2HG2 VAL 61 -0.959 -12.922 -2.001 475 H THR 62 H THR 62 2.223 -13.027 1.801 476 HA THR 62 HA THR 62 2.299 -11.183 3.965 477 HB THR 62 HB THR 62 4.714 -11.939 2.307 478 HG1 THR 62 1HG THR 62 4.435 -14.071 3.509 479 HG21 THR 62 3HG2 THR 62 5.709 -11.406 4.293 480 HG22 THR 62 1HG2 THR 62 4.120 -11.151 5.053 481 HG23 THR 62 2HG2 THR 62 4.850 -12.775 5.037 482 H LEU 63 H LEU 63 4.742 -9.765 3.104 483 HA LEU 63 HA LEU 63 3.357 -7.711 1.547 484 HB2 LEU 63 1HB LEU 63 5.238 -6.267 2.432 485 HB3 LEU 63 2HB LEU 63 4.020 -6.806 3.571 486 HG LEU 63 HG LEU 63 6.132 -8.729 3.596 487 HD11 LEU 63 1HD1 LEU 63 7.964 -7.203 4.445 488 HD12 LEU 63 2HD1 LEU 63 7.680 -7.185 2.688 489 HD13 LEU 63 3HD1 LEU 63 7.068 -5.856 3.703 490 HD21 LEU 63 3HD2 LEU 63 5.386 -8.698 5.684 491 HD22 LEU 63 1HD2 LEU 63 6.246 -7.160 5.932 492 HD23 LEU 63 2HD2 LEU 63 4.544 -7.154 5.410 493 H ASP 64 H ASP 64 6.817 -8.744 1.943 494 HA ASP 64 HA ASP 64 7.584 -7.889 -0.526 495 HB2 ASP 64 1HB ASP 64 8.818 -9.056 1.624 496 HB3 ASP 64 2HB ASP 64 8.854 -10.401 0.501 497 HD2 ASP 64 HD ASP 64 11.124 -9.391 1.294 498 H THR 65 H THR 65 5.401 -10.383 0.271 499 HA THR 65 HA THR 65 6.107 -12.265 -1.772 500 HB THR 65 HB THR 65 3.691 -13.066 -1.066 501 HG1 THR 65 1HG THR 65 3.382 -10.786 -0.161 502 HG21 THR 65 3HG2 THR 65 4.530 -13.773 1.240 503 HG22 THR 65 1HG2 THR 65 5.632 -14.203 -0.090 504 HG23 THR 65 2HG2 THR 65 5.988 -12.796 0.941 505 H LEU 66 H LEU 66 4.952 -9.137 -1.952 506 HA LEU 66 HA LEU 66 4.344 -9.366 -4.661 507 HB2 LEU 66 1HB LEU 66 1.930 -8.862 -4.605 508 HB3 LEU 66 2HB LEU 66 2.340 -10.484 -4.085 509 HG LEU 66 HG LEU 66 2.192 -9.560 -1.680 510 HD11 LEU 66 1HD1 LEU 66 1.840 -7.147 -3.019 511 HD12 LEU 66 2HD1 LEU 66 0.211 -7.574 -2.442 512 HD13 LEU 66 3HD1 LEU 66 1.562 -7.463 -1.289 513 HD21 LEU 66 3HD2 LEU 66 -0.343 -9.738 -3.330 514 HD22 LEU 66 1HD2 LEU 66 0.586 -11.126 -2.714 515 HD23 LEU 66 2HD2 LEU 66 -0.188 -9.996 -1.576 516 H THR 67 H THR 67 3.872 -7.652 -1.542 517 HA THR 67 HA THR 67 3.341 -5.127 -2.340 518 HB THR 67 HB THR 67 3.952 -6.312 0.003 519 HG1 THR 67 1HG THR 67 3.084 -4.075 -0.655 520 HG21 THR 67 3HG2 THR 67 6.216 -4.453 0.114 521 HG22 THR 67 1HG2 THR 67 6.135 -6.143 0.665 522 HG23 THR 67 2HG2 THR 67 6.547 -5.778 -1.027 523 H GLU 68 H GLU 68 4.544 -3.227 -2.874 524 HA GLU 68 HA GLU 68 6.246 -3.581 -4.959 525 HB2 GLU 68 1HB GLU 68 5.450 -1.323 -3.197 526 HB3 GLU 68 2HB GLU 68 6.982 -1.092 -4.017 527 HG2 GLU 68 1HG GLU 68 5.809 -0.485 -5.862 528 HG3 GLU 68 2HG GLU 68 5.311 -2.158 -6.018 529 HE2 GLU 68 HE GLU 68 2.572 0.475 -5.250 530 H LYS 69 H LYS 69 6.894 -3.800 -1.524 531 HA LYS 69 HA LYS 69 9.512 -3.074 -1.322 532 HB2 LYS 69 1HB LYS 69 7.965 -3.838 0.505 533 HB3 LYS 69 2HB LYS 69 8.245 -5.491 -0.004 534 HG2 LYS 69 1HG LYS 69 10.841 -4.505 0.183 535 HG3 LYS 69 2HG LYS 69 10.035 -3.645 1.480 536 HD2 LYS 69 1HD LYS 69 9.169 -5.822 2.377 537 HD3 LYS 69 2HD LYS 69 9.994 -6.675 1.087 538 HE2 LYS 69 1HE LYS 69 11.776 -4.826 2.564 539 HE3 LYS 69 2HE LYS 69 11.079 -6.064 3.590 540 HZ1 LYS 69 2HZ LYS 69 11.833 -7.432 1.346 541 HZ3 LYS 69 1HZ LYS 69 12.677 -7.385 2.738 542 H HIS 70 H HIS 70 8.107 -6.057 -2.742 543 HA HIS 70 HA HIS 70 10.541 -7.399 -3.030 544 HB2 HIS 70 1HB HIS 70 8.763 -8.815 -3.232 545 HB3 HIS 70 2HB HIS 70 7.775 -7.652 -4.093 546 HD1 HIS 70 1HD HIS 70 8.883 -7.129 -6.688 547 HD2 HIS 70 2HD HIS 70 9.566 -10.841 -4.860 548 HE1 HIS 70 1HE HIS 70 9.514 -8.743 -8.561 549 H ALA 71 H ALA 71 8.615 -5.369 -5.345 550 HA ALA 71 HA ALA 71 10.303 -5.559 -7.500 551 HB1 ALA 71 3HB ALA 71 9.192 -2.876 -7.148 552 HB2 ALA 71 1HB ALA 71 8.796 -4.120 -8.359 553 HB3 ALA 71 2HB ALA 71 8.001 -4.143 -6.766 554 H GLU 72 H GLU 72 10.458 -3.371 -4.634 555 HA GLU 72 HA GLU 72 12.628 -1.910 -5.618 556 HB2 GLU 72 1HB GLU 72 10.914 -1.837 -3.367 557 HB3 GLU 72 2HB GLU 72 12.522 -2.028 -2.698 558 HG2 GLU 72 1HG GLU 72 13.333 -0.041 -3.804 559 HG3 GLU 72 2HG GLU 72 11.932 0.040 -4.854 560 HE2 GLU 72 HE GLU 72 9.844 0.142 -3.437 561 H GLN 73 H GLN 73 12.328 -4.800 -3.478 562 HA GLN 73 HA GLN 73 14.881 -4.990 -2.615 563 HB2 GLN 73 1HB GLN 73 13.643 -6.660 -1.664 564 HB3 GLN 73 2HB GLN 73 12.636 -6.865 -3.084 565 HG2 GLN 73 1HG GLN 73 14.358 -8.198 -4.202 566 HG3 GLN 73 2HG GLN 73 15.524 -7.842 -2.943 567 HE21 GLN 73 2HE2 GLN 73 12.450 -10.549 -2.341 568 HE22 GLN 73 1HE2 GLN 73 12.383 -9.339 -3.579 569 H GLU 74 H GLU 74 13.552 -5.733 -5.844 570 HA GLU 74 HA GLU 74 16.094 -6.837 -6.647 571 HB2 GLU 74 1HB GLU 74 14.226 -8.067 -7.485 572 HB3 GLU 74 2HB GLU 74 13.369 -6.615 -7.965 573 HG2 GLU 74 1HG GLU 74 14.655 -6.314 -9.896 574 HG3 GLU 74 2HG GLU 74 16.066 -7.097 -9.214 575 HE2 GLU 74 HE GLU 74 13.762 -8.622 -11.665 576 H ASN 75 H ASN 75 15.577 -3.901 -5.888 577 HA ASN 75 HA ASN 75 16.814 -2.852 -8.284 578 HB2 ASN 75 1HB ASN 75 14.186 -2.316 -7.921 579 HB3 ASN 75 2HB ASN 75 14.821 -1.097 -6.834 580 HD21 ASN 75 2HD2 ASN 75 14.407 0.104 -10.428 581 HD22 ASN 75 1HD2 ASN 75 13.405 -0.832 -9.370 582 H MET 76 H MET 76 15.522 -1.840 -5.018 583 HA MET 76 HA MET 76 17.950 -0.354 -4.575 584 HB2 MET 76 1HB MET 76 15.436 -0.718 -2.850 585 HB3 MET 76 2HB MET 76 16.706 0.447 -2.536 586 HG2 MET 76 1HG MET 76 15.003 0.389 -5.075 587 HG3 MET 76 2HG MET 76 14.716 1.452 -3.712 588 HE1 MET 76 3HE MET 76 17.555 1.057 -6.878 589 HE2 MET 76 1HE MET 76 15.777 1.001 -6.827 590 HE3 MET 76 2HE MET 76 16.607 2.519 -7.243 591 H THR 77 H THR 77 18.600 -0.466 -1.997 592 HA THR 77 HA THR 77 19.435 -3.229 -1.655 593 HB THR 77 HB THR 77 21.161 -1.528 -1.471 594 HG1 THR 77 1HG THR 77 21.741 -2.043 0.732 595 HG21 THR 77 3HG2 THR 77 19.027 -0.005 -0.149 596 HG22 THR 77 1HG2 THR 77 20.480 -0.086 0.877 597 HG23 THR 77 2HG2 THR 77 20.590 0.575 -0.772 598 H LEU 78 H LEU 78 19.623 -3.800 0.889 599 HA LEU 78 HA LEU 78 16.938 -4.251 1.637 600 HB2 LEU 78 1HB LEU 78 19.640 -4.909 2.673 601 HB3 LEU 78 2HB LEU 78 18.323 -4.945 3.828 602 HG LEU 78 HG LEU 78 17.876 -6.376 1.255 603 HD11 LEU 78 1HD1 LEU 78 19.100 -8.318 2.811 604 HD12 LEU 78 2HD1 LEU 78 19.765 -7.552 1.347 605 HD13 LEU 78 3HD1 LEU 78 20.183 -6.912 2.954 606 HD21 LEU 78 3HD2 LEU 78 16.474 -6.157 3.574 607 HD22 LEU 78 1HD2 LEU 78 16.319 -7.502 2.418 608 HD23 LEU 78 2HD2 LEU 78 17.359 -7.676 3.852 609 H THR 79 H THR 79 19.477 -1.915 2.609 610 HA THR 79 HA THR 79 18.233 -0.917 4.889 611 HB THR 79 HB THR 79 20.264 0.025 2.858 612 HG1 THR 79 1HG THR 79 21.163 -1.077 4.588 613 HG21 THR 79 3HG2 THR 79 19.409 1.729 5.240 614 HG22 THR 79 1HG2 THR 79 20.537 2.159 3.932 615 HG23 THR 79 2HG2 THR 79 18.791 2.050 3.602 616 H GLU 80 H GLU 80 18.041 0.340 1.488 617 HA GLU 80 HA GLU 80 16.265 2.335 2.048 618 HB2 GLU 80 1HB GLU 80 17.307 0.980 -0.305 619 HB3 GLU 80 2HB GLU 80 15.606 1.333 -0.538 620 HG2 GLU 80 1HG GLU 80 16.078 3.726 0.218 621 HG3 GLU 80 2HG GLU 80 17.785 3.330 0.229 622 HE2 GLU 80 HE GLU 80 18.130 3.533 -3.160 623 H LEU 81 H LEU 81 15.648 -1.123 1.194 624 HA LEU 81 HA LEU 81 12.872 -0.914 1.044 625 HB2 LEU 81 1HB LEU 81 14.899 -3.038 1.231 626 HB3 LEU 81 2HB LEU 81 13.329 -3.476 1.874 627 HG LEU 81 HG LEU 81 14.025 -2.637 -0.941 628 HD11 LEU 81 1HD1 LEU 81 12.976 -4.791 -1.519 629 HD12 LEU 81 2HD1 LEU 81 14.369 -4.983 -0.427 630 HD13 LEU 81 3HD1 LEU 81 12.713 -5.114 0.212 631 HD21 LEU 81 3HD2 LEU 81 11.473 -2.992 -1.304 632 HD22 LEU 81 1HD2 LEU 81 11.351 -2.597 0.427 633 HD23 LEU 81 2HD2 LEU 81 12.069 -1.426 -0.705 634 H LYS 82 H LYS 82 15.127 -1.110 3.779 635 HA LYS 82 HA LYS 82 13.141 -1.820 5.681 636 HB2 LYS 82 1HB LYS 82 15.878 -1.812 5.629 637 HB3 LYS 82 2HB LYS 82 15.558 -0.401 6.617 638 HG2 LYS 82 1HG LYS 82 13.745 -2.180 7.685 639 HG3 LYS 82 2HG LYS 82 15.015 -3.281 7.189 640 HD2 LYS 82 1HD LYS 82 16.583 -1.424 8.362 641 HD3 LYS 82 2HD LYS 82 15.107 -1.071 9.237 642 HE2 LYS 82 1HE LYS 82 15.253 -2.984 10.475 643 HE3 LYS 82 2HE LYS 82 15.594 -3.971 9.067 644 HZ1 LYS 82 2HZ LYS 82 17.816 -3.808 9.435 645 HZ3 LYS 82 1HZ LYS 82 17.417 -3.377 10.954 646 H LYS 83 H LYS 83 14.428 1.219 4.312 647 HA LYS 83 HA LYS 83 13.256 2.902 6.246 648 HB2 LYS 83 1HB LYS 83 14.944 3.150 3.983 649 HB3 LYS 83 2HB LYS 83 13.561 4.181 3.679 650 HG2 LYS 83 1HG LYS 83 15.170 5.511 4.897 651 HG3 LYS 83 2HG LYS 83 13.856 5.165 6.004 652 HD2 LYS 83 1HD LYS 83 15.130 3.690 7.293 653 HD3 LYS 83 2HD LYS 83 16.144 3.211 5.946 654 HE2 LYS 83 1HE LYS 83 16.666 5.972 6.254 655 HE3 LYS 83 2HE LYS 83 16.546 5.373 7.896 656 HZ1 LYS 83 2HZ LYS 83 18.420 4.494 5.792 657 HZ3 LYS 83 1HZ LYS 83 18.101 3.514 7.053 658 H VAL 84 H VAL 84 12.241 1.923 2.899 659 HA VAL 84 HA VAL 84 9.802 3.293 3.007 660 HB VAL 84 HB VAL 84 9.272 2.111 1.022 661 HG11 VAL 84 1HG1 VAL 84 12.230 2.128 0.672 662 HG12 VAL 84 2HG1 VAL 84 10.953 2.906 -0.293 663 HG13 VAL 84 3HG1 VAL 84 11.476 3.635 1.244 664 HG21 VAL 84 3HG2 VAL 84 9.625 -0.171 1.671 665 HG22 VAL 84 1HG2 VAL 84 10.650 0.150 0.251 666 HG23 VAL 84 2HG2 VAL 84 11.373 0.097 1.877 667 H ILE 85 H ILE 85 10.764 -0.086 3.839 668 HA ILE 85 HA ILE 85 8.222 -1.065 4.321 669 HB ILE 85 HB ILE 85 10.970 -1.752 5.292 670 HG12 ILE 85 1HG1 ILE 85 9.882 -2.252 2.942 671 HG13 ILE 85 2HG1 ILE 85 10.910 -3.426 3.740 672 HG21 ILE 85 1HG2 ILE 85 8.370 -2.750 6.385 673 HG22 ILE 85 2HG2 ILE 85 9.717 -3.895 6.178 674 HG23 ILE 85 3HG2 ILE 85 9.922 -2.455 7.205 675 HD11 ILE 85 3HD1 ILE 85 9.182 -4.885 4.117 676 HD12 ILE 85 1HD1 ILE 85 8.037 -3.580 4.511 677 HD13 ILE 85 2HD1 ILE 85 8.387 -3.974 2.811 678 H ALA 86 H ALA 86 10.466 0.815 6.413 679 HA ALA 86 HA ALA 86 8.811 0.598 8.708 680 HB1 ALA 86 3HB ALA 86 10.338 2.671 9.321 681 HB2 ALA 86 1HB ALA 86 11.038 1.038 9.211 682 HB3 ALA 86 2HB ALA 86 11.228 2.181 7.860 683 H ASP 87 H ASP 87 8.896 2.636 5.825 684 HA ASP 87 HA ASP 87 7.360 4.704 7.005 685 HB2 ASP 87 1HB ASP 87 8.845 4.315 4.623 686 HB3 ASP 87 2HB ASP 87 7.191 4.512 4.078 687 HD2 ASP 87 HD ASP 87 9.583 6.694 5.968 688 H ILE 88 H ILE 88 6.829 1.632 5.313 689 HA ILE 88 HA ILE 88 4.049 2.249 4.770 690 HB ILE 88 HB ILE 88 5.813 0.889 3.343 691 HG12 ILE 88 1HG1 ILE 88 3.182 -0.421 3.203 692 HG13 ILE 88 2HG1 ILE 88 3.093 1.329 3.257 693 HG21 ILE 88 1HG2 ILE 88 4.620 -1.195 5.184 694 HG22 ILE 88 2HG2 ILE 88 5.362 -1.567 3.610 695 HG23 ILE 88 3HG2 ILE 88 6.340 -0.833 4.904 696 HD11 ILE 88 3HD1 ILE 88 3.950 1.551 1.157 697 HD12 ILE 88 1HD1 ILE 88 5.232 0.355 1.464 698 HD13 ILE 88 2HD1 ILE 88 3.606 -0.186 0.983 699 H TYR 89 H TYR 89 5.944 -0.244 6.619 700 HA TYR 89 HA TYR 89 4.688 -0.040 8.992 701 HB2 TYR 89 1HB TYR 89 2.930 -1.930 8.708 702 HB3 TYR 89 2HB TYR 89 2.520 -0.430 7.899 703 HD1 TYR 89 1HD TYR 89 4.246 -3.692 7.225 704 HD2 TYR 89 2HD TYR 89 1.876 -0.492 5.661 705 HE1 TYR 89 1HE TYR 89 4.003 -4.939 5.022 706 HE2 TYR 89 2HE TYR 89 1.641 -1.749 3.463 707 HH TYR 89 HH TYR 89 3.573 -4.117 2.528 708 HA PRO 90 HA PRO 90 7.457 -3.317 9.581 709 HB2 PRO 90 2HB PRO 90 7.971 -2.588 11.704 710 HB3 PRO 90 1HB PRO 90 6.952 -3.926 12.197 711 HG2 PRO 90 1HG PRO 90 5.210 -2.524 12.759 712 HG3 PRO 90 2HG PRO 90 6.380 -1.223 12.665 713 HD2 PRO 90 1HD PRO 90 4.123 -1.630 10.942 714 HD3 PRO 90 2HD PRO 90 5.358 -0.397 10.779 715 H GLY 91 H GLY 91 7.306 -5.577 11.172 716 HA2 GLY 91 1HA GLY 91 6.390 -7.637 11.250 717 HA3 GLY 91 2HA GLY 91 4.872 -6.968 10.685 718 H GLN 92 H GLN 92 7.395 -9.062 9.901 719 HA GLN 92 HA GLN 92 6.842 -8.727 7.056 720 HB2 GLN 92 1HB GLN 92 9.290 -8.519 8.144 721 HB3 GLN 92 2HB GLN 92 9.245 -10.266 8.014 722 HG2 GLN 92 1HG GLN 92 8.283 -8.887 5.571 723 HG3 GLN 92 2HG GLN 92 9.949 -8.512 5.965 724 HE21 GLN 92 2HE2 GLN 92 11.225 -11.467 4.731 725 HE22 GLN 92 1HE2 GLN 92 11.411 -9.801 5.167 726 H THR 93 H THR 93 4.865 -10.032 8.310 727 HA THR 93 HA THR 93 5.393 -12.839 7.631 728 HB THR 93 HB THR 93 4.313 -13.564 9.675 729 HG1 THR 93 1HG THR 93 2.882 -12.137 10.610 730 HG21 THR 93 3HG2 THR 93 6.063 -11.127 10.297 731 HG22 THR 93 1HG2 THR 93 5.527 -12.314 11.511 732 HG23 THR 93 2HG2 THR 93 6.612 -12.817 10.193 733 H GLN 94 H GLN 94 3.538 -14.042 6.920 734 HA GLN 94 HA GLN 94 2.097 -12.961 5.032 735 HB2 GLN 94 1HB GLN 94 1.361 -15.126 7.014 736 HB3 GLN 94 2HB GLN 94 0.214 -14.669 5.770 737 HG2 GLN 94 1HG GLN 94 1.471 -15.589 4.073 738 HG3 GLN 94 2HG GLN 94 2.993 -15.080 4.779 739 HE21 GLN 94 2HE2 GLN 94 3.786 -18.198 6.014 740 HE22 GLN 94 1HE2 GLN 94 4.251 -16.638 5.420 741 H PHE 95 H PHE 95 0.079 -11.877 4.707 742 HA PHE 95 HA PHE 95 -1.523 -11.160 6.955 743 HB2 PHE 95 1HB PHE 95 0.748 -9.561 6.258 744 HB3 PHE 95 2HB PHE 95 -0.614 -8.716 5.548 745 HD1 PHE 95 1HD PHE 95 -0.704 -10.680 8.686 746 HD2 PHE 95 2HD PHE 95 -0.667 -6.813 6.940 747 HE1 PHE 95 1HE PHE 95 -1.240 -9.667 10.919 748 HE2 PHE 95 2HE PHE 95 -1.203 -5.800 9.173 749 HZ PHE 95 HZ PHE 95 -1.483 -7.239 11.136 750 H TYR 96 H TYR 96 -3.079 -9.177 6.053 751 HA TYR 96 HA TYR 96 -4.374 -10.377 3.807 752 HB2 TYR 96 1HB TYR 96 -4.836 -8.539 6.016 753 HB3 TYR 96 2HB TYR 96 -5.258 -7.681 4.548 754 HD1 TYR 96 2HD TYR 96 -5.848 -11.006 6.188 755 HD2 TYR 96 1HD TYR 96 -7.425 -7.881 3.728 756 HE1 TYR 96 2HE TYR 96 -8.109 -12.167 6.150 757 HE2 TYR 96 1HE TYR 96 -9.681 -9.053 3.698 758 HH TYR 96 HH TYR 96 -10.059 -12.262 4.793 759 H VAL 97 H VAL 97 -4.621 -9.579 1.703 760 HA VAL 97 HA VAL 97 -3.059 -7.177 1.079 761 HB VAL 97 HB VAL 97 -3.010 -9.862 -0.300 762 HG11 VAL 97 1HG1 VAL 97 -2.074 -8.974 -2.198 763 HG12 VAL 97 2HG1 VAL 97 -3.171 -7.644 -1.756 764 HG13 VAL 97 3HG1 VAL 97 -1.441 -7.541 -1.353 765 HG21 VAL 97 3HG2 VAL 97 -1.320 -8.588 1.629 766 HG22 VAL 97 1HG2 VAL 97 -1.125 -10.175 0.847 767 HG23 VAL 97 2HG2 VAL 97 -0.428 -8.720 0.095 768 H ILE 98 H ILE 98 -4.082 -5.740 -0.278 769 HA ILE 98 HA ILE 98 -6.553 -6.702 -1.534 770 HB ILE 98 HB ILE 98 -6.328 -3.951 -0.363 771 HG12 ILE 98 1HG1 ILE 98 -5.809 -5.431 1.492 772 HG13 ILE 98 2HG1 ILE 98 -7.410 -4.745 1.687 773 HG21 ILE 98 1HG2 ILE 98 -8.904 -5.327 -0.333 774 HG22 ILE 98 2HG2 ILE 98 -8.458 -3.730 -0.980 775 HG23 ILE 98 3HG2 ILE 98 -8.208 -5.191 -1.966 776 HD11 ILE 98 3HD1 ILE 98 -8.410 -6.786 1.601 777 HD12 ILE 98 1HD1 ILE 98 -7.469 -7.272 0.171 778 HD13 ILE 98 2HD1 ILE 98 -6.775 -7.462 1.799 779 H GLU 99 H GLU 99 -6.518 -6.429 -3.697 780 HA GLU 99 HA GLU 99 -4.476 -4.662 -4.733 781 HB2 GLU 99 1HB GLU 99 -5.048 -7.186 -5.452 782 HB3 GLU 99 2HB GLU 99 -6.193 -6.384 -6.509 783 HG2 GLU 99 1HG GLU 99 -4.384 -5.011 -7.493 784 HG3 GLU 99 2HG GLU 99 -3.220 -5.694 -6.375 785 HE2 GLU 99 HE GLU 99 -2.846 -5.966 -9.020 786 H PHE 100 H PHE 100 -4.920 -2.787 -5.891 787 HA PHE 100 HA PHE 100 -7.643 -2.326 -6.762 788 HB2 PHE 100 1HB PHE 100 -7.609 -0.105 -5.515 789 HB3 PHE 100 2HB PHE 100 -7.594 -1.478 -4.427 790 HD1 PHE 100 1HD PHE 100 -5.369 1.013 -6.050 791 HD2 PHE 100 2HD PHE 100 -5.882 -1.723 -2.847 792 HE1 PHE 100 1HE PHE 100 -3.290 1.900 -4.958 793 HE2 PHE 100 2HE PHE 100 -3.803 -0.836 -1.756 794 HZ PHE 100 HZ PHE 100 -2.532 0.965 -2.824 795 H LYS 101 H LYS 101 -7.752 -0.093 -7.935 796 HA LYS 101 HA LYS 101 -5.148 0.582 -9.076 797 HB2 LYS 101 1HB LYS 101 -5.892 0.381 -11.314 798 HB3 LYS 101 2HB LYS 101 -6.314 -1.122 -10.520 799 HG2 LYS 101 1HG LYS 101 -8.640 -0.477 -10.315 800 HG3 LYS 101 2HG LYS 101 -8.291 1.186 -10.742 801 HD2 LYS 101 1HD LYS 101 -7.457 0.286 -13.019 802 HD3 LYS 101 2HD LYS 101 -8.159 -1.254 -12.564 803 HE2 LYS 101 1HE LYS 101 -9.796 1.312 -12.483 804 HE3 LYS 101 2HE LYS 101 -9.629 0.387 -13.962 805 HZ1 LYS 101 2HZ LYS 101 -11.536 -0.480 -12.927 806 HZ3 LYS 101 1HZ LYS 101 -10.887 -0.486 -11.434 807 H CYS 102 H CYS 102 -5.159 2.731 -10.152 808 HA CYS 102 HA CYS 102 -6.925 4.481 -8.672 809 HB2 CYS 102 1HB CYS 102 -4.256 4.653 -9.234 810 HB3 CYS 102 2HB CYS 102 -4.920 5.664 -10.502 811 HG CYS 102 HG CYS 102 -4.573 7.451 -8.869 812 H LEU 103 H LEU 103 -8.724 5.404 -9.615 813 HA LEU 103 HA LEU 103 -9.275 4.772 -12.358 814 HB2 LEU 103 1HB LEU 103 -10.898 6.469 -10.468 815 HB3 LEU 103 2HB LEU 103 -11.443 5.662 -11.925 816 HG LEU 103 HG LEU 103 -10.384 4.118 -9.555 817 HD11 LEU 103 1HD1 LEU 103 -13.104 3.828 -9.407 818 HD12 LEU 103 2HD1 LEU 103 -12.119 4.891 -8.374 819 HD13 LEU 103 3HD1 LEU 103 -12.934 5.553 -9.812 820 HD21 LEU 103 3HD2 LEU 103 -10.598 3.063 -11.859 821 HD22 LEU 103 1HD2 LEU 103 -11.429 2.237 -10.519 822 HD23 LEU 103 2HD2 LEU 103 -12.359 3.234 -11.662 Start of MODEL 20 1 H1 MET 1 1H MET 1 -15.926 13.667 10.259 2 HA MET 1 HA MET 1 -14.590 12.618 11.802 3 HB2 MET 1 1HB MET 1 -17.517 11.909 11.851 4 HB3 MET 1 2HB MET 1 -16.509 11.041 12.992 5 HG2 MET 1 1HG MET 1 -15.646 13.204 13.894 6 HG3 MET 1 2HG MET 1 -16.619 14.086 12.734 7 HE1 MET 1 3HE MET 1 -17.807 15.457 14.689 8 HE2 MET 1 1HE MET 1 -18.460 14.676 16.149 9 HE3 MET 1 2HE MET 1 -16.716 14.594 15.799 10 H GLN 2 H GLN 2 -14.059 11.206 9.352 11 HA GLN 2 HA GLN 2 -13.717 8.554 10.487 12 HB2 GLN 2 1HB GLN 2 -15.586 8.306 8.956 13 HB3 GLN 2 2HB GLN 2 -14.756 9.200 7.698 14 HG2 GLN 2 1HG GLN 2 -13.947 7.227 6.925 15 HG3 GLN 2 2HG GLN 2 -12.955 7.131 8.366 16 HE21 GLN 2 2HE2 GLN 2 -14.825 3.989 8.228 17 HE22 GLN 2 1HE2 GLN 2 -13.587 4.824 7.351 18 HA PRO 3 HA PRO 3 -9.668 9.544 9.157 19 HB2 PRO 3 2HB PRO 3 -8.746 8.782 11.124 20 HB3 PRO 3 1HB PRO 3 -8.398 7.350 10.176 21 HG2 PRO 3 1HG PRO 3 -10.094 6.151 11.177 22 HG3 PRO 3 2HG PRO 3 -10.131 7.429 12.376 23 HD2 PRO 3 1HD PRO 3 -12.196 6.781 10.493 24 HD3 PRO 3 2HD PRO 3 -12.184 8.129 11.613 25 H ASN 4 H ASN 4 -7.734 8.403 8.006 26 HA ASN 4 HA ASN 4 -8.689 7.720 5.547 27 HB2 ASN 4 1HB ASN 4 -6.283 8.379 6.280 28 HB3 ASN 4 2HB ASN 4 -6.053 6.696 6.711 29 HD21 ASN 4 2HD2 ASN 4 -6.123 7.973 2.807 30 HD22 ASN 4 1HD2 ASN 4 -6.541 8.992 4.144 31 H ASP 5 H ASP 5 -7.964 5.427 4.470 32 HA ASP 5 HA ASP 5 -8.955 3.376 6.289 33 HB2 ASP 5 1HB ASP 5 -9.174 3.651 3.258 34 HB3 ASP 5 2HB ASP 5 -9.602 2.180 4.109 35 HD2 ASP 5 HD ASP 5 -11.712 4.191 2.743 36 H ILE 6 H ILE 6 -6.637 4.314 3.701 37 HA ILE 6 HA ILE 6 -4.756 2.372 4.673 38 HB ILE 6 HB ILE 6 -5.881 0.890 3.249 39 HG12 ILE 6 1HG1 ILE 6 -3.667 1.889 1.460 40 HG13 ILE 6 2HG1 ILE 6 -3.319 1.176 3.022 41 HG21 ILE 6 1HG2 ILE 6 -7.054 1.418 1.421 42 HG22 ILE 6 2HG2 ILE 6 -6.818 3.108 1.926 43 HG23 ILE 6 3HG2 ILE 6 -5.726 2.377 0.725 44 HD11 ILE 6 3HD1 ILE 6 -4.045 -0.145 0.536 45 HD12 ILE 6 1HD1 ILE 6 -3.479 -0.867 2.061 46 HD13 ILE 6 2HD1 ILE 6 -5.215 -0.563 1.811 47 H THR 7 H THR 7 -2.670 3.107 4.405 48 HA THR 7 HA THR 7 -2.441 5.658 2.964 49 HB THR 7 HB THR 7 -0.250 5.629 4.485 50 HG1 THR 7 1HG THR 7 -0.602 3.394 5.143 51 HG21 THR 7 3HG2 THR 7 -2.225 7.144 4.912 52 HG22 THR 7 1HG2 THR 7 -3.024 5.808 5.775 53 HG23 THR 7 2HG2 THR 7 -1.522 6.511 6.420 54 H PHE 8 H PHE 8 -0.343 6.086 1.853 55 HA PHE 8 HA PHE 8 0.976 3.671 0.929 56 HB2 PHE 8 1HB PHE 8 -0.314 5.811 -0.869 57 HB3 PHE 8 2HB PHE 8 0.590 4.427 -1.451 58 HD1 PHE 8 2HD PHE 8 -2.511 5.422 0.304 59 HD2 PHE 8 1HD PHE 8 -0.457 2.329 -1.750 60 HE1 PHE 8 2HE PHE 8 -4.629 4.078 0.210 61 HE2 PHE 8 1HE PHE 8 -2.575 0.985 -1.844 62 HZ PHE 8 HZ PHE 8 -4.636 1.876 -0.864 63 H PHE 9 H PHE 9 3.110 4.078 1.237 64 HA PHE 9 HA PHE 9 4.204 6.492 1.826 65 HB2 PHE 9 1HB PHE 9 5.166 4.086 1.906 66 HB3 PHE 9 2HB PHE 9 5.464 4.215 0.184 67 HD1 PHE 9 1HD PHE 9 5.951 6.928 2.657 68 HD2 PHE 9 2HD PHE 9 7.815 4.035 0.175 69 HE1 PHE 9 1HE PHE 9 8.186 7.970 3.122 70 HE2 PHE 9 2HE PHE 9 10.051 5.077 0.639 71 HZ PHE 9 HZ PHE 9 10.210 7.033 2.107 72 H GLN 10 H GLN 10 5.940 7.711 0.511 73 HA GLN 10 HA GLN 10 4.733 8.932 -1.605 74 HB2 GLN 10 1HB GLN 10 7.216 9.645 -2.138 75 HB3 GLN 10 2HB GLN 10 6.461 10.170 -0.646 76 HG2 GLN 10 1HG GLN 10 7.945 9.004 0.623 77 HG3 GLN 10 2HG GLN 10 7.680 7.533 -0.292 78 HE21 GLN 10 2HE2 GLN 10 11.209 9.078 -0.551 79 HE22 GLN 10 1HE2 GLN 10 10.102 8.972 0.777 80 H ARG 11 H ARG 11 7.146 6.242 -1.582 81 HA ARG 11 HA ARG 11 7.497 6.157 -4.315 82 HB2 ARG 11 1HB ARG 11 7.629 3.843 -2.314 83 HB3 ARG 11 2HB ARG 11 8.366 3.848 -3.904 84 HG2 ARG 11 1HG ARG 11 9.312 6.225 -2.723 85 HG3 ARG 11 2HG ARG 11 9.321 5.074 -1.402 86 HD2 ARG 11 1HD ARG 11 11.093 3.934 -2.278 87 HD3 ARG 11 2HD ARG 11 10.356 3.851 -3.866 88 HE ARG 11 HE ARG 11 11.312 6.533 -3.293 89 HH11 ARG 11 2HH2 ARG 11 12.388 3.320 -4.328 90 HH12 ARG 11 1HH2 ARG 11 13.781 3.920 -5.164 91 HH21 ARG 11 1HH ARG 11 14.209 6.278 -5.191 92 H PHE 12 H PHE 12 5.228 4.374 -2.118 93 HA PHE 12 HA PHE 12 4.074 2.805 -4.129 94 HB2 PHE 12 1HB PHE 12 3.979 3.146 -1.340 95 HB3 PHE 12 2HB PHE 12 2.396 3.728 -1.819 96 HD1 PHE 12 1HD PHE 12 0.920 2.177 -3.204 97 HD2 PHE 12 2HD PHE 12 4.413 0.843 -1.198 98 HE1 PHE 12 1HE PHE 12 0.088 -0.187 -3.327 99 HE2 PHE 12 2HE PHE 12 3.581 -1.522 -1.320 100 HZ PHE 12 HZ PHE 12 1.428 -2.009 -2.383 101 H GLN 13 H GLN 13 3.302 6.063 -2.807 102 HA GLN 13 HA GLN 13 0.841 6.280 -4.087 103 HB2 GLN 13 1HB GLN 13 2.600 7.943 -2.480 104 HB3 GLN 13 2HB GLN 13 1.975 8.885 -3.819 105 HG2 GLN 13 1HG GLN 13 -0.124 7.209 -2.622 106 HG3 GLN 13 2HG GLN 13 0.617 8.252 -1.424 107 HE21 GLN 13 2HE2 GLN 13 -0.424 11.329 -2.842 108 HE22 GLN 13 1HE2 GLN 13 0.790 10.539 -1.891 109 H ASP 14 H ASP 14 4.187 7.291 -5.017 110 HA ASP 14 HA ASP 14 3.531 8.651 -7.292 111 HB2 ASP 14 1HB ASP 14 5.792 8.693 -6.431 112 HB3 ASP 14 2HB ASP 14 5.946 6.952 -6.551 113 HD2 ASP 14 HD ASP 14 7.861 7.181 -8.633 114 H ASP 15 H ASP 15 4.261 5.137 -6.740 115 HA ASP 15 HA ASP 15 4.235 4.306 -9.331 116 HB2 ASP 15 1HB ASP 15 4.282 3.129 -6.771 117 HB3 ASP 15 2HB ASP 15 2.853 2.438 -7.513 118 HD2 ASP 15 HD ASP 15 5.026 1.093 -6.802 119 H ILE 16 H ILE 16 1.525 4.632 -6.933 120 HA ILE 16 HA ILE 16 -0.501 3.590 -8.502 121 HB ILE 16 HB ILE 16 -0.555 5.707 -6.351 122 HG12 ILE 16 1HG1 ILE 16 -1.407 2.865 -5.956 123 HG13 ILE 16 2HG1 ILE 16 0.309 3.216 -6.013 124 HG21 ILE 16 1HG2 ILE 16 -2.843 5.642 -6.278 125 HG22 ILE 16 2HG2 ILE 16 -2.575 5.461 -8.029 126 HG23 ILE 16 3HG2 ILE 16 -2.938 4.032 -7.032 127 HD11 ILE 16 3HD1 ILE 16 0.225 3.952 -3.877 128 HD12 ILE 16 1HD1 ILE 16 -0.907 5.234 -4.369 129 HD13 ILE 16 2HD1 ILE 16 -1.530 3.653 -3.840 130 H LEU 17 H LEU 17 0.882 6.912 -8.329 131 HA LEU 17 HA LEU 17 -1.003 8.129 -9.972 132 HB2 LEU 17 1HB LEU 17 0.184 9.891 -9.412 133 HB3 LEU 17 2HB LEU 17 1.317 8.833 -8.593 134 HG LEU 17 HG LEU 17 2.517 8.610 -10.846 135 HD11 LEU 17 1HD1 LEU 17 1.721 11.185 -11.833 136 HD12 LEU 17 2HD1 LEU 17 1.716 9.607 -12.656 137 HD13 LEU 17 3HD1 LEU 17 0.296 10.126 -11.717 138 HD21 LEU 17 3HD2 LEU 17 3.975 10.227 -10.211 139 HD22 LEU 17 1HD2 LEU 17 2.703 11.450 -9.983 140 HD23 LEU 17 2HD2 LEU 17 2.968 10.200 -8.744 141 H ALA 18 H ALA 18 1.580 5.854 -10.656 142 HA ALA 18 HA ALA 18 1.825 6.556 -13.412 143 HB1 ALA 18 3HB ALA 18 3.437 5.287 -11.707 144 HB2 ALA 18 1HB ALA 18 2.578 3.858 -12.330 145 HB3 ALA 18 2HB ALA 18 3.462 4.923 -13.449 146 H GLY 19 H GLY 19 -0.658 5.171 -11.588 147 HA2 GLY 19 1HA GLY 19 -2.655 4.390 -12.379 148 HA3 GLY 19 2HA GLY 19 -1.973 4.214 -13.983 149 H ARG 20 H ARG 20 0.290 2.593 -13.511 150 HA ARG 20 HA ARG 20 -0.598 0.141 -13.750 151 HB2 ARG 20 1HB ARG 20 1.920 1.296 -12.609 152 HB3 ARG 20 2HB ARG 20 1.667 -0.406 -12.280 153 HG2 ARG 20 1HG ARG 20 2.167 -0.983 -14.420 154 HG3 ARG 20 2HG ARG 20 1.023 0.176 -15.069 155 HD2 ARG 20 1HD ARG 20 2.830 1.987 -14.491 156 HD3 ARG 20 2HD ARG 20 3.938 0.638 -14.331 157 HE ARG 20 HE ARG 20 2.629 0.240 -16.789 158 HH11 ARG 20 2HH2 ARG 20 4.694 2.740 -15.360 159 HH12 ARG 20 1HH2 ARG 20 5.351 3.242 -16.882 160 HH21 ARG 20 1HH ARG 20 4.633 2.147 -18.889 161 H LYS 21 H LYS 21 -2.284 -0.718 -12.514 162 HA LYS 21 HA LYS 21 -2.893 -0.255 -9.935 163 HB2 LYS 21 1HB LYS 21 -4.235 -2.182 -10.014 164 HB3 LYS 21 2HB LYS 21 -4.140 -1.628 -11.673 165 HG2 LYS 21 1HG LYS 21 -1.932 -3.310 -11.514 166 HG3 LYS 21 2HG LYS 21 -3.066 -4.113 -10.447 167 HD2 LYS 21 1HD LYS 21 -4.815 -3.858 -12.338 168 HD3 LYS 21 2HD LYS 21 -3.486 -3.383 -13.376 169 HE2 LYS 21 1HE LYS 21 -2.551 -5.514 -13.408 170 HE3 LYS 21 2HE LYS 21 -3.087 -5.896 -11.784 171 HZ1 LYS 21 2HZ LYS 21 -5.298 -5.528 -13.569 172 HZ3 LYS 21 1HZ LYS 21 -4.970 -6.797 -12.602 173 H THR 22 H THR 22 -2.573 -1.492 -7.914 174 HA THR 22 HA THR 22 -0.244 -3.194 -7.794 175 HB THR 22 HB THR 22 -0.320 -0.383 -6.587 176 HG1 THR 22 1HG THR 22 1.843 -0.576 -7.802 177 HG21 THR 22 3HG2 THR 22 0.746 -1.545 -4.829 178 HG22 THR 22 1HG2 THR 22 1.334 -2.832 -5.909 179 HG23 THR 22 2HG2 THR 22 2.122 -1.237 -5.916 180 H ILE 23 H ILE 23 -0.074 -4.361 -5.809 181 HA ILE 23 HA ILE 23 -2.652 -4.439 -4.443 182 HB ILE 23 HB ILE 23 -0.787 -6.525 -3.728 183 HG12 ILE 23 1HG1 ILE 23 -1.054 -7.565 -6.140 184 HG13 ILE 23 2HG1 ILE 23 -1.098 -5.887 -6.643 185 HG21 ILE 23 1HG2 ILE 23 -3.126 -7.254 -5.324 186 HG22 ILE 23 2HG2 ILE 23 -2.675 -7.712 -3.664 187 HG23 ILE 23 3HG2 ILE 23 -3.514 -6.171 -3.966 188 HD11 ILE 23 3HD1 ILE 23 1.189 -7.477 -5.843 189 HD12 ILE 23 1HD1 ILE 23 1.159 -5.825 -6.506 190 HD13 ILE 23 2HD1 ILE 23 1.030 -6.081 -4.749 191 H THR 24 H THR 24 -2.725 -4.596 -2.081 192 HA THR 24 HA THR 24 -0.352 -3.397 -0.815 193 HB THR 24 HB THR 24 -1.799 -1.873 0.371 194 HG1 THR 24 1HG THR 24 -4.131 -2.277 0.240 195 HG21 THR 24 3HG2 THR 24 -3.272 -0.837 -1.411 196 HG22 THR 24 1HG2 THR 24 -1.603 -1.103 -1.969 197 HG23 THR 24 2HG2 THR 24 -2.897 -2.218 -2.469 198 H ILE 25 H ILE 25 -0.622 -3.587 1.715 199 HA ILE 25 HA ILE 25 -1.738 -6.229 2.308 200 HB ILE 25 HB ILE 25 1.004 -5.300 3.163 201 HG12 ILE 25 1HG1 ILE 25 1.483 -7.457 1.609 202 HG13 ILE 25 2HG1 ILE 25 0.085 -6.812 0.773 203 HG21 ILE 25 1HG2 ILE 25 0.350 -8.149 3.326 204 HG22 ILE 25 2HG2 ILE 25 1.103 -7.068 4.523 205 HG23 ILE 25 3HG2 ILE 25 -0.669 -7.127 4.369 206 HD11 ILE 25 3HD1 ILE 25 1.268 -4.516 0.848 207 HD12 ILE 25 1HD1 ILE 25 2.724 -5.411 1.345 208 HD13 ILE 25 2HD1 ILE 25 1.972 -5.741 -0.235 209 H ARG 26 H ARG 26 -2.810 -6.350 4.253 210 HA ARG 26 HA ARG 26 -2.439 -4.094 6.034 211 HB2 ARG 26 1HB ARG 26 -5.231 -4.986 6.015 212 HB3 ARG 26 2HB ARG 26 -4.594 -3.364 5.829 213 HG2 ARG 26 1HG ARG 26 -4.564 -5.407 3.563 214 HG3 ARG 26 2HG ARG 26 -5.906 -4.310 3.824 215 HD2 ARG 26 1HD ARG 26 -3.347 -3.779 2.543 216 HD3 ARG 26 2HD ARG 26 -4.778 -2.769 2.591 217 HE ARG 26 HE ARG 26 -2.463 -2.628 4.420 218 HH11 ARG 26 2HH2 ARG 26 -5.791 -1.591 3.784 219 HH12 ARG 26 1HH2 ARG 26 -5.698 -0.222 4.840 220 HH21 ARG 26 1HH ARG 26 -3.659 0.212 6.023 221 H ASP 27 H ASP 27 -3.731 -4.616 8.226 222 HA ASP 27 HA ASP 27 -2.972 -7.329 8.873 223 HB2 ASP 27 1HB ASP 27 -2.101 -5.523 10.308 224 HB3 ASP 27 2HB ASP 27 -3.722 -4.920 10.593 225 HD2 ASP 27 HD ASP 27 -2.509 -5.942 13.234 226 H GLU 28 H GLU 28 -4.551 -8.890 9.386 227 HA GLU 28 HA GLU 28 -7.117 -8.599 8.645 228 HB2 GLU 28 1HB GLU 28 -6.387 -10.804 9.014 229 HB3 GLU 28 2HB GLU 28 -5.738 -10.440 10.600 230 HG2 GLU 28 1HG GLU 28 -7.793 -11.745 10.865 231 HG3 GLU 28 2HG GLU 28 -8.068 -10.125 11.474 232 HE2 GLU 28 HE GLU 28 -9.696 -12.287 9.853 233 H SER 29 H SER 29 -5.739 -8.115 11.959 234 HA SER 29 HA SER 29 -8.110 -7.657 13.245 235 HB2 SER 29 1HB SER 29 -6.803 -6.879 15.035 236 HB3 SER 29 2HB SER 29 -5.672 -7.884 14.153 237 HG SER 29 HG SER 29 -5.016 -5.819 13.023 238 H GLU 30 H GLU 30 -6.421 -5.735 10.872 239 HA GLU 30 HA GLU 30 -8.301 -3.575 11.408 240 HB2 GLU 30 1HB GLU 30 -5.321 -3.429 10.955 241 HB3 GLU 30 2HB GLU 30 -6.323 -2.120 10.360 242 HG2 GLU 30 1HG GLU 30 -7.291 -2.611 12.973 243 HG3 GLU 30 2HG GLU 30 -5.551 -2.756 13.120 244 HE2 GLU 30 HE GLU 30 -6.110 -0.546 14.332 245 H SER 31 H SER 31 -8.396 -5.953 9.597 246 HA SER 31 HA SER 31 -8.544 -4.447 7.107 247 HB2 SER 31 1HB SER 31 -6.610 -6.169 7.277 248 HB3 SER 31 2HB SER 31 -7.851 -7.406 7.232 249 HG SER 31 HG SER 31 -8.604 -6.181 5.198 250 H HIS 32 H HIS 32 -10.785 -4.099 7.133 251 HA HIS 32 HA HIS 32 -12.380 -6.472 6.758 252 HB2 HIS 32 1HB HIS 32 -14.104 -5.567 8.407 253 HB3 HIS 32 2HB HIS 32 -12.699 -6.383 9.064 254 HD1 HIS 32 1HD HIS 32 -14.540 -3.191 9.174 255 HD2 HIS 32 2HD HIS 32 -10.700 -4.547 10.179 256 HE1 HIS 32 1HE HIS 32 -13.528 -1.409 10.695 257 H PHE 33 H PHE 33 -13.404 -6.081 4.866 258 HA PHE 33 HA PHE 33 -15.095 -3.904 4.519 259 HB2 PHE 33 1HB PHE 33 -12.454 -3.138 4.262 260 HB3 PHE 33 2HB PHE 33 -12.738 -3.705 2.629 261 HD1 PHE 33 1HD PHE 33 -15.130 -1.959 4.876 262 HD2 PHE 33 2HD PHE 33 -12.731 -1.730 1.384 263 HE1 PHE 33 1HE PHE 33 -16.186 0.243 4.295 264 HE2 PHE 33 2HE PHE 33 -13.786 0.472 0.803 265 HZ PHE 33 HZ PHE 33 -15.501 1.433 2.265 266 H LYS 34 H LYS 34 -14.713 -3.649 1.602 267 HA LYS 34 HA LYS 34 -14.975 -6.405 0.697 268 HB2 LYS 34 1HB LYS 34 -17.141 -4.302 0.463 269 HB3 LYS 34 2HB LYS 34 -17.079 -5.729 -0.552 270 HG2 LYS 34 1HG LYS 34 -18.195 -6.823 1.097 271 HG3 LYS 34 2HG LYS 34 -16.709 -6.773 2.025 272 HD2 LYS 34 1HD LYS 34 -17.532 -4.333 2.689 273 HD3 LYS 34 2HD LYS 34 -19.103 -4.925 2.187 274 HE2 LYS 34 1HE LYS 34 -18.242 -7.028 3.757 275 HE3 LYS 34 2HE LYS 34 -17.464 -5.681 4.563 276 HZ1 LYS 34 2HZ LYS 34 -19.944 -6.329 5.109 277 HZ3 LYS 34 1HZ LYS 34 -20.288 -5.366 3.842 278 H THR 35 H THR 35 -15.065 -6.460 -1.783 279 HA THR 35 HA THR 35 -13.043 -4.608 -2.729 280 HB THR 35 HB THR 35 -14.377 -6.952 -4.169 281 HG1 THR 35 1HG THR 35 -13.502 -7.871 -2.302 282 HG21 THR 35 3HG2 THR 35 -12.898 -5.984 -5.731 283 HG22 THR 35 1HG2 THR 35 -11.824 -5.347 -4.462 284 HG23 THR 35 2HG2 THR 35 -11.795 -7.080 -4.865 285 H GLY 36 H GLY 36 -13.286 -3.752 -5.038 286 HA2 GLY 36 1HA GLY 36 -14.376 -2.450 -6.513 287 HA3 GLY 36 2HA GLY 36 -15.860 -3.283 -6.095 288 H ASP 37 H ASP 37 -14.216 -1.958 -3.339 289 HA ASP 37 HA ASP 37 -16.237 0.114 -3.245 290 HB2 ASP 37 1HB ASP 37 -14.748 -1.529 -1.270 291 HB3 ASP 37 2HB ASP 37 -14.883 0.155 -0.807 292 HD2 ASP 37 HD ASP 37 -17.872 0.255 -1.890 293 H VAL 38 H VAL 38 -15.037 1.952 -1.482 294 HA VAL 38 HA VAL 38 -12.843 2.958 -3.135 295 HB VAL 38 HB VAL 38 -15.088 4.117 -1.637 296 HG11 VAL 38 1HG1 VAL 38 -12.304 5.268 -1.390 297 HG12 VAL 38 2HG1 VAL 38 -13.756 6.294 -1.306 298 HG13 VAL 38 3HG1 VAL 38 -13.518 4.991 -0.118 299 HG21 VAL 38 3HG2 VAL 38 -13.438 5.477 -3.759 300 HG22 VAL 38 1HG2 VAL 38 -14.525 4.132 -4.181 301 HG23 VAL 38 2HG2 VAL 38 -15.182 5.604 -3.426 302 H LEU 39 H LEU 39 -10.889 3.749 -2.146 303 HA LEU 39 HA LEU 39 -10.526 2.926 0.636 304 HB2 LEU 39 1HB LEU 39 -9.056 1.940 -1.765 305 HB3 LEU 39 2HB LEU 39 -8.151 2.206 -0.288 306 HG LEU 39 HG LEU 39 -10.660 0.539 -0.262 307 HD11 LEU 39 1HD1 LEU 39 -7.988 -0.767 -0.624 308 HD12 LEU 39 2HD1 LEU 39 -9.621 -1.376 -0.988 309 HD13 LEU 39 3HD1 LEU 39 -8.868 -0.161 -2.048 310 HD21 LEU 39 3HD2 LEU 39 -10.062 -0.055 1.822 311 HD22 LEU 39 1HD2 LEU 39 -8.330 -0.139 1.421 312 HD23 LEU 39 2HD2 LEU 39 -9.089 1.434 1.765 313 H ARG 40 H ARG 40 -10.039 4.756 1.715 314 HA ARG 40 HA ARG 40 -9.281 7.071 0.459 315 HB2 ARG 40 1HB ARG 40 -9.918 6.241 3.088 316 HB3 ARG 40 2HB ARG 40 -8.299 6.895 3.234 317 HG2 ARG 40 1HG ARG 40 -8.961 9.051 2.704 318 HG3 ARG 40 2HG ARG 40 -10.197 8.516 1.583 319 HD2 ARG 40 1HD ARG 40 -11.737 7.987 3.379 320 HD3 ARG 40 2HD ARG 40 -10.481 8.125 4.594 321 HE ARG 40 HE ARG 40 -12.034 10.295 3.501 322 HH11 ARG 40 2HH2 ARG 40 -8.763 9.542 4.637 323 HH12 ARG 40 1HH2 ARG 40 -8.406 11.178 5.079 324 HH21 ARG 40 1HH ARG 40 -10.067 12.874 4.744 325 H VAL 41 H VAL 41 -7.290 7.944 -0.150 326 HA VAL 41 HA VAL 41 -4.928 6.354 0.581 327 HB VAL 41 HB VAL 41 -5.367 6.095 -1.735 328 HG11 VAL 41 1HG1 VAL 41 -6.722 7.624 -2.677 329 HG12 VAL 41 2HG1 VAL 41 -6.194 8.913 -1.569 330 HG13 VAL 41 3HG1 VAL 41 -5.227 8.530 -3.013 331 HG21 VAL 41 3HG2 VAL 41 -3.404 7.889 -2.548 332 HG22 VAL 41 1HG2 VAL 41 -3.060 7.636 -0.820 333 HG23 VAL 41 2HG2 VAL 41 -3.141 6.243 -1.925 334 H GLY 42 H GLY 42 -3.211 7.407 1.530 335 HA2 GLY 42 1HA GLY 42 -3.104 10.317 1.450 336 HA3 GLY 42 2HA GLY 42 -3.408 9.596 3.018 337 H ARG 43 H ARG 43 -0.991 11.006 1.514 338 HA ARG 43 HA ARG 43 0.968 8.927 1.816 339 HB2 ARG 43 1HB ARG 43 0.747 11.131 0.121 340 HB3 ARG 43 2HB ARG 43 1.916 11.700 1.296 341 HG2 ARG 43 1HG ARG 43 3.120 9.406 0.927 342 HG3 ARG 43 2HG ARG 43 2.109 9.250 -0.497 343 HD2 ARG 43 1HD ARG 43 3.370 11.914 -0.329 344 HD3 ARG 43 2HD ARG 43 4.559 10.626 -0.343 345 HE ARG 43 HE ARG 43 2.634 10.028 -2.354 346 HH11 ARG 43 2HH2 ARG 43 5.131 12.455 -1.700 347 HH12 ARG 43 1HH2 ARG 43 5.431 12.778 -3.375 348 HH21 ARG 43 1HH ARG 43 4.184 11.591 -5.041 349 H PHE 44 H PHE 44 2.248 8.691 3.642 350 HA PHE 44 HA PHE 44 1.719 10.347 5.884 351 HB2 PHE 44 1HB PHE 44 2.506 7.776 5.483 352 HB3 PHE 44 2HB PHE 44 4.107 8.481 5.581 353 HD1 PHE 44 1HD PHE 44 0.905 8.225 7.454 354 HD2 PHE 44 2HD PHE 44 5.095 8.861 7.661 355 HE1 PHE 44 1HE PHE 44 0.796 8.121 9.959 356 HE2 PHE 44 2HE PHE 44 4.987 8.757 10.167 357 HZ PHE 44 HZ PHE 44 2.839 8.389 11.286 358 H GLU 45 H GLU 45 4.110 10.318 3.286 359 HA GLU 45 HA GLU 45 6.281 11.407 4.361 360 HB2 GLU 45 1HB GLU 45 4.892 11.718 1.732 361 HB3 GLU 45 2HB GLU 45 6.139 12.900 2.077 362 HG2 GLU 45 1HG GLU 45 7.226 10.390 2.876 363 HG3 GLU 45 2HG GLU 45 6.427 10.089 1.346 364 HE2 GLU 45 HE GLU 45 8.532 12.899 2.421 365 H ASP 46 H ASP 46 3.175 13.087 3.684 366 HA ASP 46 HA ASP 46 4.317 15.433 4.979 367 HB2 ASP 46 1HB ASP 46 2.224 16.567 3.933 368 HB3 ASP 46 2HB ASP 46 3.538 16.131 2.858 369 HD2 ASP 46 HD ASP 46 0.164 15.002 1.671 370 H ASP 47 H ASP 47 1.311 13.420 4.572 371 HA ASP 47 HA ASP 47 0.802 12.980 7.157 372 HB2 ASP 47 1HB ASP 47 0.414 15.747 6.670 373 HB3 ASP 47 2HB ASP 47 -1.204 15.076 6.705 374 HD2 ASP 47 HD ASP 47 0.020 16.810 8.591 375 H GLY 48 H GLY 48 -0.312 13.830 3.906 376 HA2 GLY 48 1HA GLY 48 -1.670 11.690 3.184 377 HA3 GLY 48 2HA GLY 48 -2.865 12.443 4.222 378 H TYR 49 H TYR 49 -2.437 12.023 1.117 379 HA TYR 49 HA TYR 49 -2.443 14.745 0.169 380 HB2 TYR 49 1HB TYR 49 -1.445 12.689 -0.999 381 HB3 TYR 49 2HB TYR 49 -3.055 12.005 -1.105 382 HD1 TYR 49 1HD TYR 49 -3.082 15.558 -1.557 383 HD2 TYR 49 2HD TYR 49 -2.375 11.862 -3.594 384 HE1 TYR 49 1HE TYR 49 -3.428 16.716 -3.794 385 HE2 TYR 49 2HE TYR 49 -2.723 13.033 -5.824 386 HH TYR 49 HH TYR 49 -2.531 16.188 -6.250 387 H PHE 50 H PHE 50 -4.724 12.745 1.670 388 HA PHE 50 HA PHE 50 -6.924 12.750 1.817 389 HB2 PHE 50 1HB PHE 50 -6.272 15.541 0.746 390 HB3 PHE 50 2HB PHE 50 -7.941 15.102 1.048 391 HD1 PHE 50 2HD PHE 50 -4.687 15.758 2.607 392 HD2 PHE 50 1HD PHE 50 -8.777 14.867 3.300 393 HE1 PHE 50 2HE PHE 50 -4.412 16.378 5.024 394 HE2 PHE 50 1HE PHE 50 -8.503 15.487 5.716 395 HZ PHE 50 HZ PHE 50 -6.324 16.236 6.549 396 H CYS 51 H CYS 51 -6.208 11.265 -0.318 397 HA CYS 51 HA CYS 51 -8.003 12.178 -2.447 398 HB2 CYS 51 1HB CYS 51 -5.510 10.463 -2.594 399 HB3 CYS 51 2HB CYS 51 -6.670 10.567 -3.903 400 HG CYS 51 HG CYS 51 -6.631 13.393 -3.548 401 H THR 52 H THR 52 -8.423 9.755 -3.761 402 HA THR 52 HA THR 52 -9.112 7.733 -1.812 403 HB THR 52 HB THR 52 -11.319 8.994 -3.503 404 HG1 THR 52 1HG THR 52 -10.806 10.626 -2.033 405 HG21 THR 52 3HG2 THR 52 -11.903 6.789 -2.591 406 HG22 THR 52 1HG2 THR 52 -11.240 7.233 -0.999 407 HG23 THR 52 2HG2 THR 52 -12.715 8.027 -1.603 408 H ILE 53 H ILE 53 -9.622 5.688 -2.759 409 HA ILE 53 HA ILE 53 -9.261 5.573 -5.652 410 HB ILE 53 HB ILE 53 -7.523 4.023 -5.586 411 HG12 ILE 53 1HG1 ILE 53 -6.637 3.401 -3.134 412 HG13 ILE 53 2HG1 ILE 53 -8.330 3.625 -2.741 413 HG21 ILE 53 1HG2 ILE 53 -5.771 5.315 -4.884 414 HG22 ILE 53 2HG2 ILE 53 -7.077 6.525 -4.873 415 HG23 ILE 53 3HG2 ILE 53 -6.561 5.759 -3.351 416 HD11 ILE 53 3HD1 ILE 53 -8.908 1.671 -3.738 417 HD12 ILE 53 1HD1 ILE 53 -8.032 2.100 -5.227 418 HD13 ILE 53 2HD1 ILE 53 -7.167 1.328 -3.877 419 H GLU 54 H GLU 54 -9.645 3.135 -6.355 420 HA GLU 54 HA GLU 54 -11.846 2.169 -4.700 421 HB2 GLU 54 1HB GLU 54 -11.806 2.970 -7.503 422 HB3 GLU 54 2HB GLU 54 -12.270 1.285 -7.368 423 HG2 GLU 54 1HG GLU 54 -13.948 1.993 -5.561 424 HG3 GLU 54 2HG GLU 54 -13.575 3.658 -5.960 425 HE2 GLU 54 HE GLU 54 -14.901 0.756 -7.219 426 H VAL 55 H VAL 55 -11.932 -0.062 -4.290 427 HA VAL 55 HA VAL 55 -9.498 -1.471 -4.669 428 HB VAL 55 HB VAL 55 -11.981 -2.889 -3.877 429 HG11 VAL 55 1HG1 VAL 55 -10.047 -4.151 -3.550 430 HG12 VAL 55 2HG1 VAL 55 -9.105 -2.751 -2.983 431 HG13 VAL 55 3HG1 VAL 55 -10.351 -3.470 -1.934 432 HG21 VAL 55 3HG2 VAL 55 -10.985 -0.406 -2.520 433 HG22 VAL 55 1HG2 VAL 55 -12.649 -0.998 -2.743 434 HG23 VAL 55 2HG2 VAL 55 -11.592 -1.751 -1.524 435 H THR 56 H THR 56 -9.278 -3.575 -5.781 436 HA THR 56 HA THR 56 -11.159 -3.854 -8.024 437 HB THR 56 HB THR 56 -8.928 -2.626 -8.557 438 HG1 THR 56 1HG THR 56 -9.614 -5.238 -9.712 439 HG21 THR 56 3HG2 THR 56 -7.867 -5.489 -8.474 440 HG22 THR 56 1HG2 THR 56 -6.961 -4.003 -8.842 441 HG23 THR 56 2HG2 THR 56 -7.519 -4.316 -7.182 442 H ALA 57 H ALA 57 -8.639 -5.360 -5.937 443 HA ALA 57 HA ALA 57 -10.219 -7.763 -5.884 444 HB1 ALA 57 3HB ALA 57 -8.858 -9.157 -7.090 445 HB2 ALA 57 1HB ALA 57 -8.493 -7.647 -7.960 446 HB3 ALA 57 2HB ALA 57 -7.385 -8.237 -6.697 447 H THR 58 H THR 58 -9.027 -9.432 -4.396 448 HA THR 58 HA THR 58 -7.153 -8.193 -2.567 449 HB THR 58 HB THR 58 -10.069 -8.757 -1.940 450 HG1 THR 58 1HG THR 58 -9.298 -6.574 -2.269 451 HG21 THR 58 3HG2 THR 58 -9.068 -10.052 -0.177 452 HG22 THR 58 1HG2 THR 58 -7.672 -8.953 -0.062 453 HG23 THR 58 2HG2 THR 58 -9.269 -8.428 0.523 454 H SER 59 H SER 59 -6.055 -9.700 -1.221 455 HA SER 59 HA SER 59 -6.771 -12.447 -1.481 456 HB2 SER 59 1HB SER 59 -4.027 -12.491 -2.203 457 HB3 SER 59 2HB SER 59 -5.393 -12.984 -3.184 458 HG SER 59 HG SER 59 -3.916 -10.555 -3.219 459 H THR 60 H THR 60 -4.991 -13.835 -0.251 460 HA THR 60 HA THR 60 -4.056 -12.204 2.018 461 HB THR 60 HB THR 60 -4.266 -14.718 3.034 462 HG1 THR 60 1HG THR 60 -5.016 -15.599 1.008 463 HG21 THR 60 3HG2 THR 60 -6.992 -13.692 2.757 464 HG22 THR 60 1HG2 THR 60 -5.979 -13.776 4.218 465 HG23 THR 60 2HG2 THR 60 -5.869 -12.365 3.139 466 H VAL 61 H VAL 61 -1.939 -11.798 1.842 467 HA VAL 61 HA VAL 61 -0.168 -14.045 1.649 468 HB VAL 61 HB VAL 61 0.599 -12.041 -0.333 469 HG11 VAL 61 1HG1 VAL 61 0.761 -14.941 0.136 470 HG12 VAL 61 2HG1 VAL 61 0.528 -14.498 -1.572 471 HG13 VAL 61 3HG1 VAL 61 1.909 -13.839 -0.662 472 HG21 VAL 61 3HG2 VAL 61 -1.875 -12.024 -0.659 473 HG22 VAL 61 1HG2 VAL 61 -0.977 -12.648 -2.064 474 HG23 VAL 61 2HG2 VAL 61 -1.810 -13.776 -0.968 475 H THR 62 H THR 62 2.225 -13.100 1.694 476 HA THR 62 HA THR 62 2.295 -11.375 3.960 477 HB THR 62 HB THR 62 4.713 -12.059 2.275 478 HG1 THR 62 1HG THR 62 4.447 -14.255 3.212 479 HG21 THR 62 3HG2 THR 62 5.765 -11.793 4.286 480 HG22 THR 62 1HG2 THR 62 4.214 -11.264 4.980 481 HG23 THR 62 2HG2 THR 62 4.677 -12.982 5.040 482 H LEU 63 H LEU 63 4.767 -9.945 3.138 483 HA LEU 63 HA LEU 63 3.387 -7.803 1.699 484 HB2 LEU 63 1HB LEU 63 5.243 -6.399 2.649 485 HB3 LEU 63 2HB LEU 63 4.071 -7.035 3.786 486 HG LEU 63 HG LEU 63 6.146 -8.943 3.708 487 HD11 LEU 63 1HD1 LEU 63 8.139 -7.938 3.562 488 HD12 LEU 63 2HD1 LEU 63 7.258 -6.639 2.724 489 HD13 LEU 63 3HD1 LEU 63 7.595 -6.505 4.467 490 HD21 LEU 63 3HD2 LEU 63 5.481 -8.840 5.825 491 HD22 LEU 63 1HD2 LEU 63 6.519 -7.406 6.008 492 HD23 LEU 63 2HD2 LEU 63 4.797 -7.212 5.603 493 H ASP 64 H ASP 64 6.837 -8.893 2.031 494 HA ASP 64 HA ASP 64 7.580 -7.929 -0.419 495 HB2 ASP 64 1HB ASP 64 8.812 -9.220 1.704 496 HB3 ASP 64 2HB ASP 64 8.932 -10.438 0.449 497 HD2 ASP 64 HD ASP 64 10.398 -8.869 -1.789 498 H THR 65 H THR 65 5.434 -10.469 0.324 499 HA THR 65 HA THR 65 6.145 -12.327 -1.717 500 HB THR 65 HB THR 65 3.643 -13.021 -1.107 501 HG1 THR 65 1HG THR 65 3.017 -11.118 -0.016 502 HG21 THR 65 3HG2 THR 65 5.563 -14.276 -0.176 503 HG22 THR 65 1HG2 THR 65 5.895 -12.955 0.970 504 HG23 THR 65 2HG2 THR 65 4.407 -13.919 1.130 505 H LEU 66 H LEU 66 4.926 -9.177 -1.863 506 HA LEU 66 HA LEU 66 4.469 -9.384 -4.625 507 HB2 LEU 66 1HB LEU 66 2.041 -8.770 -4.584 508 HB3 LEU 66 2HB LEU 66 2.428 -10.439 -4.214 509 HG LEU 66 HG LEU 66 2.354 -9.377 -1.702 510 HD11 LEU 66 1HD1 LEU 66 1.393 -7.279 -3.166 511 HD12 LEU 66 2HD1 LEU 66 -0.108 -8.121 -2.711 512 HD13 LEU 66 3HD1 LEU 66 1.029 -7.587 -1.451 513 HD21 LEU 66 3HD2 LEU 66 0.235 -10.691 -3.394 514 HD22 LEU 66 1HD2 LEU 66 1.260 -11.395 -2.120 515 HD23 LEU 66 2HD2 LEU 66 -0.057 -10.278 -1.688 516 H THR 67 H THR 67 3.886 -7.666 -1.522 517 HA THR 67 HA THR 67 3.448 -5.130 -2.348 518 HB THR 67 HB THR 67 3.888 -6.319 0.026 519 HG1 THR 67 1HG THR 67 3.099 -4.081 -0.622 520 HG21 THR 67 3HG2 THR 67 6.551 -5.910 -0.836 521 HG22 THR 67 1HG2 THR 67 6.212 -4.526 0.230 522 HG23 THR 67 2HG2 THR 67 6.024 -6.187 0.842 523 H GLU 68 H GLU 68 4.766 -3.237 -2.724 524 HA GLU 68 HA GLU 68 6.483 -3.530 -4.771 525 HB2 GLU 68 1HB GLU 68 5.880 -1.388 -2.798 526 HB3 GLU 68 2HB GLU 68 7.428 -1.216 -3.602 527 HG2 GLU 68 1HG GLU 68 5.354 -1.983 -5.523 528 HG3 GLU 68 2HG GLU 68 4.874 -0.544 -4.644 529 HE2 GLU 68 HE GLU 68 8.399 -0.720 -6.454 530 H LYS 69 H LYS 69 7.084 -4.122 -1.370 531 HA LYS 69 HA LYS 69 9.754 -3.655 -1.105 532 HB2 LYS 69 1HB LYS 69 8.131 -4.442 0.645 533 HB3 LYS 69 2HB LYS 69 8.267 -6.060 -0.012 534 HG2 LYS 69 1HG LYS 69 10.851 -5.754 0.282 535 HG3 LYS 69 2HG LYS 69 10.442 -4.386 1.297 536 HD2 LYS 69 1HD LYS 69 9.233 -5.773 2.862 537 HD3 LYS 69 2HD LYS 69 9.214 -7.134 1.759 538 HE2 LYS 69 1HE LYS 69 11.903 -6.800 1.930 539 HE3 LYS 69 2HE LYS 69 11.460 -6.112 3.480 540 HZ1 LYS 69 2HZ LYS 69 10.264 -8.177 3.992 541 HZ3 LYS 69 1HZ LYS 69 11.818 -8.515 3.642 542 H HIS 70 H HIS 70 8.099 -6.128 -3.032 543 HA HIS 70 HA HIS 70 10.448 -7.698 -3.390 544 HB2 HIS 70 1HB HIS 70 8.414 -8.861 -3.534 545 HB3 HIS 70 2HB HIS 70 7.687 -7.668 -4.592 546 HD1 HIS 70 1HD HIS 70 7.993 -7.962 -7.112 547 HD2 HIS 70 2HD HIS 70 10.326 -10.608 -4.842 548 HE1 HIS 70 1HE HIS 70 8.965 -9.652 -8.759 549 H ALA 71 H ALA 71 8.571 -5.343 -5.414 550 HA ALA 71 HA ALA 71 10.189 -5.449 -7.648 551 HB1 ALA 71 3HB ALA 71 8.539 -4.065 -8.283 552 HB2 ALA 71 1HB ALA 71 8.035 -3.856 -6.589 553 HB3 ALA 71 2HB ALA 71 9.262 -2.775 -7.292 554 H GLU 72 H GLU 72 10.371 -3.227 -4.780 555 HA GLU 72 HA GLU 72 12.654 -1.933 -5.694 556 HB2 GLU 72 1HB GLU 72 10.929 -1.869 -3.384 557 HB3 GLU 72 2HB GLU 72 12.588 -1.902 -2.819 558 HG2 GLU 72 1HG GLU 72 13.147 0.120 -3.899 559 HG3 GLU 72 2HG GLU 72 11.873 -0.039 -5.091 560 HE2 GLU 72 HE GLU 72 12.665 1.701 -2.583 561 H GLN 73 H GLN 73 12.142 -4.808 -3.585 562 HA GLN 73 HA GLN 73 14.629 -5.128 -2.597 563 HB2 GLN 73 1HB GLN 73 13.216 -6.741 -1.774 564 HB3 GLN 73 2HB GLN 73 12.369 -6.936 -3.295 565 HG2 GLN 73 1HG GLN 73 14.134 -8.331 -4.207 566 HG3 GLN 73 2HG GLN 73 15.222 -7.933 -2.891 567 HE21 GLN 73 2HE2 GLN 73 12.516 -10.956 -2.623 568 HE22 GLN 73 1HE2 GLN 73 12.745 -9.968 -4.027 569 H GLU 74 H GLU 74 13.458 -5.770 -5.913 570 HA GLU 74 HA GLU 74 16.055 -6.860 -6.585 571 HB2 GLU 74 1HB GLU 74 13.365 -7.306 -7.506 572 HB3 GLU 74 2HB GLU 74 14.295 -6.704 -8.863 573 HG2 GLU 74 1HG GLU 74 15.755 -8.720 -7.251 574 HG3 GLU 74 2HG GLU 74 14.276 -9.341 -7.955 575 HE2 GLU 74 HE GLU 74 14.777 -10.249 -9.836 576 H ASN 75 H ASN 75 15.595 -3.977 -5.873 577 HA ASN 75 HA ASN 75 16.797 -2.923 -8.272 578 HB2 ASN 75 1HB ASN 75 14.084 -2.308 -7.455 579 HB3 ASN 75 2HB ASN 75 15.054 -0.869 -7.213 580 HD21 ASN 75 2HD2 ASN 75 13.628 -1.116 -10.717 581 HD22 ASN 75 1HD2 ASN 75 12.963 -1.326 -9.132 582 H MET 76 H MET 76 15.398 -1.889 -5.057 583 HA MET 76 HA MET 76 17.777 -0.337 -4.580 584 HB2 MET 76 1HB MET 76 15.192 -0.723 -2.968 585 HB3 MET 76 2HB MET 76 16.449 0.425 -2.551 586 HG2 MET 76 1HG MET 76 14.861 0.433 -5.165 587 HG3 MET 76 2HG MET 76 14.575 1.505 -3.809 588 HE1 MET 76 3HE MET 76 17.090 2.431 -7.244 589 HE2 MET 76 1HE MET 76 16.222 0.898 -6.993 590 HE3 MET 76 2HE MET 76 15.339 2.442 -6.924 591 H THR 77 H THR 77 18.364 -0.387 -1.986 592 HA THR 77 HA THR 77 19.276 -3.111 -1.577 593 HB THR 77 HB THR 77 20.824 -1.154 -1.386 594 HG1 THR 77 1HG THR 77 21.555 -1.878 0.755 595 HG21 THR 77 3HG2 THR 77 19.434 -0.441 1.214 596 HG22 THR 77 1HG2 THR 77 20.569 0.535 0.250 597 HG23 THR 77 2HG2 THR 77 18.888 0.325 -0.297 598 H LEU 78 H LEU 78 19.391 -3.622 1.001 599 HA LEU 78 HA LEU 78 16.675 -4.152 1.636 600 HB2 LEU 78 1HB LEU 78 19.352 -4.795 2.757 601 HB3 LEU 78 2HB LEU 78 17.983 -4.888 3.848 602 HG LEU 78 HG LEU 78 18.675 -7.034 2.690 603 HD11 LEU 78 1HD1 LEU 78 16.243 -7.647 2.147 604 HD12 LEU 78 2HD1 LEU 78 16.614 -7.080 3.793 605 HD13 LEU 78 3HD1 LEU 78 15.853 -5.976 2.622 606 HD21 LEU 78 3HD2 LEU 78 18.966 -5.833 0.443 607 HD22 LEU 78 1HD2 LEU 78 18.191 -7.435 0.436 608 HD23 LEU 78 2HD2 LEU 78 17.198 -5.965 0.289 609 H THR 79 H THR 79 19.169 -1.813 2.713 610 HA THR 79 HA THR 79 17.857 -0.863 4.975 611 HB THR 79 HB THR 79 19.983 0.044 3.056 612 HG1 THR 79 1HG THR 79 21.057 -0.297 4.993 613 HG21 THR 79 3HG2 THR 79 20.177 2.182 4.474 614 HG22 THR 79 1HG2 THR 79 18.857 2.191 3.280 615 HG23 THR 79 2HG2 THR 79 18.502 1.886 4.998 616 H GLU 80 H GLU 80 17.724 0.411 1.580 617 HA GLU 80 HA GLU 80 15.941 2.407 2.110 618 HB2 GLU 80 1HB GLU 80 17.053 1.092 -0.210 619 HB3 GLU 80 2HB GLU 80 15.340 1.337 -0.486 620 HG2 GLU 80 1HG GLU 80 15.755 3.774 0.393 621 HG3 GLU 80 2HG GLU 80 17.455 3.429 0.141 622 HE2 GLU 80 HE GLU 80 17.182 4.060 -3.225 623 H LEU 81 H LEU 81 15.319 -1.042 1.205 624 HA LEU 81 HA LEU 81 12.554 -0.838 1.031 625 HB2 LEU 81 1HB LEU 81 14.553 -3.000 1.378 626 HB3 LEU 81 2HB LEU 81 12.902 -3.385 1.821 627 HG LEU 81 HG LEU 81 13.923 -2.492 -0.883 628 HD11 LEU 81 1HD1 LEU 81 12.898 -4.680 -1.584 629 HD12 LEU 81 2HD1 LEU 81 14.322 -4.810 -0.524 630 HD13 LEU 81 3HD1 LEU 81 12.690 -5.057 0.143 631 HD21 LEU 81 3HD2 LEU 81 11.900 -1.348 -0.783 632 HD22 LEU 81 1HD2 LEU 81 11.462 -2.889 -1.558 633 HD23 LEU 81 2HD2 LEU 81 11.105 -2.627 0.166 634 H LYS 82 H LYS 82 14.759 -1.074 3.815 635 HA LYS 82 HA LYS 82 12.723 -1.736 5.676 636 HB2 LYS 82 1HB LYS 82 15.457 -1.785 5.680 637 HB3 LYS 82 2HB LYS 82 15.150 -0.362 6.655 638 HG2 LYS 82 1HG LYS 82 14.666 -1.708 8.411 639 HG3 LYS 82 2HG LYS 82 13.261 -2.293 7.543 640 HD2 LYS 82 1HD LYS 82 14.659 -4.042 6.438 641 HD3 LYS 82 2HD LYS 82 16.078 -3.447 7.276 642 HE2 LYS 82 1HE LYS 82 15.509 -4.485 9.237 643 HE3 LYS 82 2HE LYS 82 13.827 -4.006 9.114 644 HZ1 LYS 82 2HZ LYS 82 14.810 -6.083 7.282 645 HZ3 LYS 82 1HZ LYS 82 13.314 -5.891 7.894 646 H LYS 83 H LYS 83 14.080 1.274 4.317 647 HA LYS 83 HA LYS 83 12.931 2.992 6.227 648 HB2 LYS 83 1HB LYS 83 14.561 3.185 3.883 649 HB3 LYS 83 2HB LYS 83 13.223 4.301 3.705 650 HG2 LYS 83 1HG LYS 83 14.583 5.674 4.959 651 HG3 LYS 83 2HG LYS 83 13.832 4.826 6.296 652 HD2 LYS 83 1HD LYS 83 15.855 3.080 5.775 653 HD3 LYS 83 2HD LYS 83 16.608 4.548 5.184 654 HE2 LYS 83 1HE LYS 83 16.985 5.288 7.299 655 HE3 LYS 83 2HE LYS 83 15.297 5.097 7.727 656 HZ1 LYS 83 2HZ LYS 83 15.828 3.247 8.858 657 HZ3 LYS 83 1HZ LYS 83 17.408 3.488 8.548 658 H VAL 84 H VAL 84 11.889 2.009 2.889 659 HA VAL 84 HA VAL 84 9.469 3.410 3.001 660 HB VAL 84 HB VAL 84 8.916 2.231 1.023 661 HG11 VAL 84 1HG1 VAL 84 11.776 2.104 0.445 662 HG12 VAL 84 2HG1 VAL 84 10.527 3.199 -0.195 663 HG13 VAL 84 3HG1 VAL 84 11.334 3.573 1.347 664 HG21 VAL 84 3HG2 VAL 84 11.034 0.195 1.794 665 HG22 VAL 84 1HG2 VAL 84 9.272 -0.056 1.781 666 HG23 VAL 84 2HG2 VAL 84 10.143 0.223 0.254 667 H ILE 85 H ILE 85 10.356 -0.009 3.780 668 HA ILE 85 HA ILE 85 7.801 -0.917 4.310 669 HB ILE 85 HB ILE 85 10.547 -1.692 5.218 670 HG12 ILE 85 1HG1 ILE 85 9.383 -2.139 2.889 671 HG13 ILE 85 2HG1 ILE 85 10.408 -3.341 3.649 672 HG21 ILE 85 1HG2 ILE 85 9.240 -3.806 6.108 673 HG22 ILE 85 2HG2 ILE 85 9.532 -2.390 7.146 674 HG23 ILE 85 3HG2 ILE 85 7.946 -2.613 6.369 675 HD11 ILE 85 3HD1 ILE 85 8.087 -4.113 2.761 676 HD12 ILE 85 1HD1 ILE 85 8.561 -4.641 4.393 677 HD13 ILE 85 2HD1 ILE 85 7.420 -3.290 4.191 678 H ALA 86 H ALA 86 10.121 0.912 6.356 679 HA ALA 86 HA ALA 86 8.519 0.703 8.693 680 HB1 ALA 86 3HB ALA 86 10.950 2.232 7.796 681 HB2 ALA 86 1HB ALA 86 10.099 2.755 9.269 682 HB3 ALA 86 2HB ALA 86 10.756 1.105 9.160 683 H ASP 87 H ASP 87 8.553 2.739 5.813 684 HA ASP 87 HA ASP 87 7.077 4.826 7.049 685 HB2 ASP 87 1HB ASP 87 8.542 4.474 4.661 686 HB3 ASP 87 2HB ASP 87 6.887 4.657 4.115 687 HD2 ASP 87 HD ASP 87 6.364 7.613 4.517 688 H ILE 88 H ILE 88 6.487 1.790 5.309 689 HA ILE 88 HA ILE 88 3.724 2.443 4.767 690 HB ILE 88 HB ILE 88 5.471 1.009 3.391 691 HG12 ILE 88 1HG1 ILE 88 2.938 -0.327 3.082 692 HG13 ILE 88 2HG1 ILE 88 2.658 1.372 3.405 693 HG21 ILE 88 1HG2 ILE 88 5.936 -0.692 4.993 694 HG22 ILE 88 2HG2 ILE 88 4.204 -1.000 5.266 695 HG23 ILE 88 3HG2 ILE 88 4.950 -1.429 3.707 696 HD11 ILE 88 3HD1 ILE 88 3.687 2.069 1.451 697 HD12 ILE 88 1HD1 ILE 88 4.847 0.719 1.457 698 HD13 ILE 88 2HD1 ILE 88 3.170 0.450 0.923 699 H TYR 89 H TYR 89 5.539 -0.059 6.683 700 HA TYR 89 HA TYR 89 4.305 0.219 9.049 701 HB2 TYR 89 1HB TYR 89 2.475 -1.646 8.753 702 HB3 TYR 89 2HB TYR 89 2.099 -0.077 8.069 703 HD1 TYR 89 1HD TYR 89 3.771 -3.285 7.052 704 HD2 TYR 89 2HD TYR 89 1.266 -0.012 5.904 705 HE1 TYR 89 1HE TYR 89 3.399 -4.359 4.778 706 HE2 TYR 89 2HE TYR 89 0.902 -1.097 3.633 707 HH TYR 89 HH TYR 89 1.531 -2.683 2.278 708 HA PRO 90 HA PRO 90 6.815 -3.239 9.723 709 HB2 PRO 90 2HB PRO 90 7.166 -2.652 11.922 710 HB3 PRO 90 1HB PRO 90 6.067 -3.978 12.245 711 HG2 PRO 90 1HG PRO 90 4.327 -2.550 12.742 712 HG3 PRO 90 2HG PRO 90 5.540 -1.288 12.825 713 HD2 PRO 90 1HD PRO 90 3.429 -1.515 10.896 714 HD3 PRO 90 2HD PRO 90 4.710 -0.319 10.912 715 H GLY 91 H GLY 91 6.425 -5.571 11.194 716 HA2 GLY 91 1HA GLY 91 5.231 -7.523 11.188 717 HA3 GLY 91 2HA GLY 91 4.022 -6.804 10.143 718 H GLN 92 H GLN 92 6.617 -9.001 10.299 719 HA GLN 92 HA GLN 92 6.914 -8.866 7.399 720 HB2 GLN 92 1HB GLN 92 8.960 -8.512 9.062 721 HB3 GLN 92 2HB GLN 92 8.926 -10.260 9.169 722 HG2 GLN 92 1HG GLN 92 8.719 -9.251 6.386 723 HG3 GLN 92 2HG GLN 92 10.211 -8.789 7.182 724 HE21 GLN 92 2HE2 GLN 92 9.460 -12.629 6.012 725 HE22 GLN 92 1HE2 GLN 92 8.328 -11.329 5.840 726 H THR 93 H THR 93 4.666 -10.135 8.563 727 HA THR 93 HA THR 93 5.260 -12.918 7.861 728 HB THR 93 HB THR 93 4.104 -13.724 9.833 729 HG1 THR 93 1HG THR 93 3.629 -10.862 10.282 730 HG21 THR 93 3HG2 THR 93 5.817 -11.303 10.603 731 HG22 THR 93 1HG2 THR 93 5.235 -12.526 11.759 732 HG23 THR 93 2HG2 THR 93 6.373 -12.989 10.470 733 H GLN 94 H GLN 94 3.455 -14.110 7.024 734 HA GLN 94 HA GLN 94 2.076 -12.982 5.123 735 HB2 GLN 94 1HB GLN 94 1.270 -15.213 7.004 736 HB3 GLN 94 2HB GLN 94 0.186 -14.729 5.715 737 HG2 GLN 94 1HG GLN 94 1.527 -15.612 4.069 738 HG3 GLN 94 2HG GLN 94 3.006 -15.077 4.841 739 HE21 GLN 94 2HE2 GLN 94 2.077 -18.903 4.939 740 HE22 GLN 94 1HE2 GLN 94 1.591 -17.702 3.789 741 H PHE 95 H PHE 95 0.030 -11.943 4.754 742 HA PHE 95 HA PHE 95 -1.636 -11.289 6.976 743 HB2 PHE 95 1HB PHE 95 0.285 -9.321 5.633 744 HB3 PHE 95 2HB PHE 95 -1.215 -8.730 6.320 745 HD1 PHE 95 1HD PHE 95 -1.411 -10.412 8.761 746 HD2 PHE 95 2HD PHE 95 1.925 -8.439 7.032 747 HE1 PHE 95 1HE PHE 95 -0.323 -10.274 11.018 748 HE2 PHE 95 2HE PHE 95 3.013 -8.301 9.290 749 HZ PHE 95 HZ PHE 95 1.876 -9.220 11.256 750 H TYR 96 H TYR 96 -3.212 -9.326 6.064 751 HA TYR 96 HA TYR 96 -4.394 -10.515 3.736 752 HB2 TYR 96 1HB TYR 96 -5.005 -8.767 6.006 753 HB3 TYR 96 2HB TYR 96 -5.494 -7.938 4.541 754 HD1 TYR 96 1HD TYR 96 -5.802 -11.310 6.162 755 HD2 TYR 96 2HD TYR 96 -7.630 -8.323 3.705 756 HE1 TYR 96 1HE TYR 96 -7.954 -12.662 6.107 757 HE2 TYR 96 2HE TYR 96 -9.776 -9.685 3.658 758 HH TYR 96 HH TYR 96 -9.969 -12.803 5.358 759 H VAL 97 H VAL 97 -4.386 -9.776 1.642 760 HA VAL 97 HA VAL 97 -2.971 -7.237 1.198 761 HB VAL 97 HB VAL 97 -2.918 -9.815 -0.378 762 HG11 VAL 97 1HG1 VAL 97 -1.225 -7.504 -1.196 763 HG12 VAL 97 2HG1 VAL 97 -1.980 -8.782 -2.179 764 HG13 VAL 97 3HG1 VAL 97 -2.959 -7.416 -1.590 765 HG21 VAL 97 3HG2 VAL 97 -1.291 -8.807 1.726 766 HG22 VAL 97 1HG2 VAL 97 -1.046 -10.270 0.741 767 HG23 VAL 97 2HG2 VAL 97 -0.335 -8.721 0.227 768 H ILE 98 H ILE 98 -4.056 -5.698 0.046 769 HA ILE 98 HA ILE 98 -6.522 -6.591 -1.279 770 HB ILE 98 HB ILE 98 -6.202 -3.871 -0.060 771 HG12 ILE 98 1HG1 ILE 98 -5.680 -5.407 1.752 772 HG13 ILE 98 2HG1 ILE 98 -7.252 -4.671 1.999 773 HG21 ILE 98 1HG2 ILE 98 -8.785 -5.322 -0.115 774 HG22 ILE 98 2HG2 ILE 98 -8.408 -3.617 -0.462 775 HG23 ILE 98 3HG2 ILE 98 -8.103 -4.865 -1.694 776 HD11 ILE 98 3HD1 ILE 98 -7.840 -6.976 0.503 777 HD12 ILE 98 1HD1 ILE 98 -6.563 -7.499 1.627 778 HD13 ILE 98 2HD1 ILE 98 -8.062 -6.776 2.258 779 H GLU 99 H GLU 99 -6.566 -6.234 -3.432 780 HA GLU 99 HA GLU 99 -4.484 -4.512 -4.475 781 HB2 GLU 99 1HB GLU 99 -5.106 -7.002 -5.237 782 HB3 GLU 99 2HB GLU 99 -6.282 -6.172 -6.236 783 HG2 GLU 99 1HG GLU 99 -4.521 -4.822 -7.293 784 HG3 GLU 99 2HG GLU 99 -3.313 -5.458 -6.194 785 HE2 GLU 99 HE GLU 99 -4.659 -6.263 -9.326 786 H PHE 100 H PHE 100 -4.930 -2.762 -5.925 787 HA PHE 100 HA PHE 100 -7.714 -2.153 -6.437 788 HB2 PHE 100 1HB PHE 100 -7.500 0.058 -5.350 789 HB3 PHE 100 2HB PHE 100 -7.043 -1.159 -4.175 790 HD1 PHE 100 2HD PHE 100 -4.455 -1.724 -4.127 791 HD2 PHE 100 1HD PHE 100 -6.108 1.878 -5.644 792 HE1 PHE 100 2HE PHE 100 -2.252 -0.570 -3.788 793 HE2 PHE 100 1HE PHE 100 -3.905 3.032 -5.304 794 HZ PHE 100 HZ PHE 100 -2.003 1.794 -4.380 795 H LYS 101 H LYS 101 -7.799 0.042 -7.751 796 HA LYS 101 HA LYS 101 -5.372 0.483 -9.269 797 HB2 LYS 101 1HB LYS 101 -6.164 -0.166 -11.352 798 HB3 LYS 101 2HB LYS 101 -6.717 -1.460 -10.308 799 HG2 LYS 101 1HG LYS 101 -8.969 -0.569 -10.229 800 HG3 LYS 101 2HG LYS 101 -8.469 0.950 -10.948 801 HD2 LYS 101 1HD LYS 101 -7.791 -0.360 -13.038 802 HD3 LYS 101 2HD LYS 101 -8.519 -1.780 -12.314 803 HE2 LYS 101 1HE LYS 101 -10.197 0.718 -12.415 804 HE3 LYS 101 2HE LYS 101 -9.906 -0.108 -13.932 805 HZ1 LYS 101 2HZ LYS 101 -11.773 -0.826 -12.053 806 HZ3 LYS 101 1HZ LYS 101 -10.613 -1.954 -11.868 807 H CYS 102 H CYS 102 -5.399 2.513 -10.415 808 HA CYS 102 HA CYS 102 -7.301 4.336 -9.210 809 HB2 CYS 102 1HB CYS 102 -5.093 5.116 -8.975 810 HB3 CYS 102 2HB CYS 102 -4.656 4.693 -10.619 811 HG CYS 102 HG CYS 102 -6.588 7.088 -9.441 812 H LEU 103 H LEU 103 -9.038 5.140 -10.361 813 HA LEU 103 HA LEU 103 -9.434 4.203 -13.030 814 HB2 LEU 103 1HB LEU 103 -11.101 6.172 -11.469 815 HB3 LEU 103 2HB LEU 103 -11.593 5.210 -12.849 816 HG LEU 103 HG LEU 103 -10.682 3.859 -10.319 817 HD11 LEU 103 1HD1 LEU 103 -13.289 3.785 -9.887 818 HD12 LEU 103 2HD1 LEU 103 -12.280 5.121 -9.282 819 HD13 LEU 103 3HD1 LEU 103 -13.243 5.333 -10.764 820 HD21 LEU 103 3HD2 LEU 103 -12.904 2.842 -12.011 821 HD22 LEU 103 1HD2 LEU 103 -11.270 2.815 -12.716 822 HD23 LEU 103 2HD2 LEU 103 -11.591 1.972 -11.182
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