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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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503512 |
1we9 ![]() ![]() |
cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 6.431 22.124 6.802 2 HA2 GLY 1 1HA GLY 1 4.024 21.171 6.179 3 HA3 GLY 1 2HA GLY 1 4.443 20.123 7.526 4 H SER 2 H SER 2 3.362 23.240 6.564 5 HA SER 2 HA SER 2 3.268 24.081 9.388 6 HB2 SER 2 1HB SER 2 3.396 26.366 8.682 7 HB3 SER 2 2HB SER 2 4.671 25.496 7.830 8 HG SER 2 HG SER 2 2.965 25.294 6.110 9 H SER 3 H SER 3 1.474 23.387 6.544 10 HA SER 3 HA SER 3 -0.872 24.856 7.047 11 HB2 SER 3 1HB SER 3 -0.408 23.805 4.875 12 HB3 SER 3 2HB SER 3 -0.558 22.209 5.609 13 HG SER 3 HG SER 3 -2.754 23.081 6.250 14 H GLY 4 H GLY 4 -2.545 24.554 8.391 15 HA2 GLY 4 1HA GLY 4 -2.361 22.787 10.569 16 HA3 GLY 4 2HA GLY 4 -3.798 23.686 10.106 17 H SER 5 H SER 5 -5.310 22.727 8.685 18 HA SER 5 HA SER 5 -5.535 19.891 9.024 19 HB2 SER 5 1HB SER 5 -7.463 21.548 9.017 20 HB3 SER 5 2HB SER 5 -7.267 21.633 7.266 21 HG SER 5 HG SER 5 -7.996 19.625 7.065 22 H SER 6 H SER 6 -5.172 18.287 7.592 23 HA SER 6 HA SER 6 -5.019 18.596 4.795 24 HB2 SER 6 1HB SER 6 -2.900 19.791 5.523 25 HB3 SER 6 2HB SER 6 -2.310 18.227 6.083 26 HG SER 6 HG SER 6 -2.080 19.165 3.689 27 H GLY 7 H GLY 7 -4.046 16.599 3.742 28 HA2 GLY 7 1HA GLY 7 -5.258 14.304 4.763 29 HA3 GLY 7 2HA GLY 7 -4.020 14.316 3.516 30 H GLN 8 H GLN 8 -4.601 12.592 5.964 31 HA GLN 8 HA GLN 8 -1.820 12.462 6.848 32 HB2 GLN 8 1HB GLN 8 -4.174 13.022 8.577 33 HB3 GLN 8 2HB GLN 8 -2.953 11.924 9.207 34 HG2 GLN 8 1HG GLN 8 -1.274 13.763 8.578 35 HG3 GLN 8 2HG GLN 8 -2.687 14.813 8.479 36 HE21 GLN 8 1HE2 GLN 8 -0.258 14.201 10.396 37 HE22 GLN 8 2HE2 GLN 8 -0.987 14.362 11.954 38 H CYS 9 H CYS 9 -1.096 10.447 6.721 39 HA CYS 9 HA CYS 9 -2.638 8.294 5.863 40 HB2 CYS 9 1HB CYS 9 -0.311 8.160 5.487 41 HB3 CYS 9 2HB CYS 9 0.064 8.453 7.182 42 H GLY 10 H GLY 10 -3.966 6.920 6.859 43 HA2 GLY 10 1HA GLY 10 -4.817 7.244 9.489 44 HA3 GLY 10 2HA GLY 10 -5.091 5.804 8.519 45 H ALA 11 H ALA 11 -2.343 5.096 8.182 46 HA ALA 11 HA ALA 11 -1.949 3.494 10.440 47 HB1 ALA 11 1HB ALA 11 -0.728 3.837 7.917 48 HB2 ALA 11 2HB ALA 11 0.548 3.924 9.133 49 HB3 ALA 11 3HB ALA 11 -0.512 2.515 9.065 50 H CYS 12 H CYS 12 0.079 6.242 9.393 51 HA CYS 12 HA CYS 12 0.786 6.666 12.222 52 HB2 CYS 12 1HB CYS 12 2.855 7.749 11.354 53 HB3 CYS 12 2HB CYS 12 2.731 6.044 10.931 54 H GLY 13 H GLY 13 0.247 8.378 9.146 55 HA2 GLY 13 1HA GLY 13 -1.251 10.242 9.005 56 HA3 GLY 13 2HA GLY 13 -0.921 10.589 10.695 57 H GLU 14 H GLU 14 1.291 10.003 7.975 58 HA GLU 14 HA GLU 14 2.929 12.226 8.752 59 HB2 GLU 14 1HB GLU 14 3.024 10.164 6.587 60 HB3 GLU 14 2HB GLU 14 4.028 11.600 6.444 61 HG2 GLU 14 1HG GLU 14 4.076 9.979 8.951 62 HG3 GLU 14 2HG GLU 14 4.991 9.462 7.535 63 H SER 15 H SER 15 3.723 13.661 6.788 64 HA SER 15 HA SER 15 1.413 15.194 6.001 65 HB2 SER 15 1HB SER 15 3.405 16.374 6.746 66 HB3 SER 15 2HB SER 15 4.365 15.615 5.476 67 HG SER 15 HG SER 15 2.102 17.229 4.937 68 H TYR 16 H TYR 16 0.853 15.759 3.857 69 HA TYR 16 HA TYR 16 0.957 13.600 2.022 70 HB2 TYR 16 1HB TYR 16 -0.823 15.493 2.314 71 HB3 TYR 16 2HB TYR 16 0.202 16.382 1.193 72 HD1 TYR 16 2HD TYR 16 0.954 14.818 -0.911 73 HD2 TYR 16 1HD TYR 16 -2.614 14.403 1.371 74 HE1 TYR 16 2HE TYR 16 -0.118 13.673 -2.805 75 HE2 TYR 16 1HE TYR 16 -3.695 13.256 -0.518 76 HH TYR 16 HH TYR 16 -2.091 12.948 -3.641 77 H ALA 17 H ALA 17 3.100 13.165 1.519 78 HA ALA 17 HA ALA 17 4.529 15.257 0.017 79 HB1 ALA 17 1HB ALA 17 6.568 13.866 0.480 80 HB2 ALA 17 2HB ALA 17 5.821 14.599 1.900 81 HB3 ALA 17 3HB ALA 17 5.569 12.888 1.556 82 H ALA 18 H ALA 18 5.144 14.900 -2.052 83 HA ALA 18 HA ALA 18 4.047 12.556 -3.374 84 HB1 ALA 18 1HB ALA 18 5.493 14.860 -4.660 85 HB2 ALA 18 2HB ALA 18 4.389 13.711 -5.417 86 HB3 ALA 18 3HB ALA 18 3.775 14.894 -4.262 87 H ASP 19 H ASP 19 6.005 11.666 -1.794 88 HA ASP 19 HA ASP 19 8.143 11.000 -3.698 89 HB2 ASP 19 1HB ASP 19 9.086 12.615 -2.146 90 HB3 ASP 19 2HB ASP 19 8.506 11.677 -0.772 91 H GLU 20 H GLU 20 6.886 10.117 -0.475 92 HA GLU 20 HA GLU 20 7.757 7.463 -0.512 93 HB2 GLU 20 1HB GLU 20 5.555 8.880 0.961 94 HB3 GLU 20 2HB GLU 20 5.790 7.147 1.145 95 HG2 GLU 20 1HG GLU 20 7.695 9.354 1.857 96 HG3 GLU 20 2HG GLU 20 6.921 8.193 2.934 97 H PHE 21 H PHE 21 6.283 5.528 -0.513 98 HA PHE 21 HA PHE 21 4.605 5.646 -2.910 99 HB2 PHE 21 1HB PHE 21 6.056 3.893 -3.249 100 HB3 PHE 21 2HB PHE 21 6.157 3.504 -1.535 101 HD1 PHE 21 1HD PHE 21 3.334 3.720 -3.968 102 HD2 PHE 21 2HD PHE 21 5.471 1.354 -1.148 103 HE1 PHE 21 1HE PHE 21 1.728 1.885 -4.296 104 HE2 PHE 21 2HE PHE 21 3.869 -0.485 -1.472 105 HZ PHE 21 HZ PHE 21 1.995 -0.222 -3.048 106 H TRP 22 H TRP 22 2.526 6.031 -2.530 107 HA TRP 22 HA TRP 22 1.294 5.071 -0.062 108 HB2 TRP 22 1HB TRP 22 0.102 6.830 -2.215 109 HB3 TRP 22 2HB TRP 22 -0.560 6.534 -0.610 110 HD1 TRP 22 HD TRP 22 2.845 7.874 -1.947 111 HE1 TRP 22 1HE TRP 22 3.497 9.913 -0.518 112 HE3 TRP 22 3HE TRP 22 -1.153 7.944 1.239 113 HZ2 TRP 22 2HZ TRP 22 2.455 11.359 1.671 114 HZ3 TRP 22 3HZ TRP 22 -1.248 9.687 2.973 115 HH2 TRP 22 HH TRP 22 0.519 11.358 3.183 116 H ILE 23 H ILE 23 -0.684 3.887 -0.072 117 HA ILE 23 HA ILE 23 -0.940 2.151 -2.428 118 HB ILE 23 HB ILE 23 -1.712 0.439 -1.065 119 HG12 ILE 23 1HG1 ILE 23 -2.262 1.065 1.449 120 HG13 ILE 23 2HG1 ILE 23 -2.562 2.654 0.753 121 HG21 ILE 23 1HG2 ILE 23 0.264 0.124 -0.110 122 HG22 ILE 23 2HG2 ILE 23 0.602 1.849 -0.236 123 HG23 ILE 23 3HG2 ILE 23 -0.189 1.209 1.204 124 HD11 ILE 23 1HD1 ILE 23 -3.889 0.819 -0.896 125 HD12 ILE 23 2HD1 ILE 23 -4.231 0.337 0.765 126 HD13 ILE 23 3HD1 ILE 23 -4.596 1.977 0.230 127 H CYS 24 H CYS 24 -3.094 1.446 -3.056 128 HA CYS 24 HA CYS 24 -5.134 3.504 -2.518 129 HB2 CYS 24 1HB CYS 24 -4.358 2.098 -5.051 130 HB3 CYS 24 2HB CYS 24 -6.001 2.694 -4.850 131 HG CYS 24 HG CYS 24 -5.509 5.131 -5.485 132 H CYS 25 H CYS 25 -6.927 2.817 -1.567 133 HA CYS 25 HA CYS 25 -7.409 -0.060 -1.374 134 HB2 CYS 25 1HB CYS 25 -7.388 1.170 0.725 135 HB3 CYS 25 2HB CYS 25 -8.624 2.271 0.123 136 H ASP 26 H ASP 26 -9.644 -0.853 -1.547 137 HA ASP 26 HA ASP 26 -11.046 0.507 -3.744 138 HB2 ASP 26 1HB ASP 26 -10.162 -1.921 -3.939 139 HB3 ASP 26 2HB ASP 26 -11.533 -2.342 -2.916 140 H LEU 27 H LEU 27 -11.529 -1.049 -0.611 141 HA LEU 27 HA LEU 27 -14.333 -0.730 -0.506 142 HB2 LEU 27 1HB LEU 27 -12.219 -1.119 1.587 143 HB3 LEU 27 2HB LEU 27 -13.914 -0.907 2.017 144 HG LEU 27 HG LEU 27 -14.229 -2.915 0.325 145 HD11 LEU 27 1HD1 LEU 27 -12.293 -3.703 -0.443 146 HD12 LEU 27 2HD1 LEU 27 -12.028 -4.340 1.179 147 HD13 LEU 27 3HD1 LEU 27 -11.356 -2.774 0.727 148 HD21 LEU 27 1HD2 LEU 27 -14.178 -2.601 3.087 149 HD22 LEU 27 2HD2 LEU 27 -13.182 -4.024 2.780 150 HD23 LEU 27 3HD2 LEU 27 -14.843 -3.964 2.187 151 H CYS 28 H CYS 28 -11.966 0.996 1.522 152 HA CYS 28 HA CYS 28 -13.800 3.253 1.696 153 HB2 CYS 28 1HB CYS 28 -12.405 4.050 3.486 154 HB3 CYS 28 2HB CYS 28 -12.671 2.327 3.730 155 H GLU 29 H GLU 29 -10.838 2.349 0.152 156 HA GLU 29 HA GLU 29 -9.441 3.422 -1.290 157 HB2 GLU 29 1HB GLU 29 -11.942 5.069 -1.656 158 HB3 GLU 29 2HB GLU 29 -10.497 5.296 -2.630 159 HG2 GLU 29 1HG GLU 29 -10.791 3.355 -3.778 160 HG3 GLU 29 2HG GLU 29 -11.617 2.558 -2.440 161 H MET 30 H MET 30 -8.934 4.063 1.291 162 HA MET 30 HA MET 30 -8.760 6.954 1.537 163 HB2 MET 30 1HB MET 30 -9.196 5.106 3.406 164 HB3 MET 30 2HB MET 30 -7.440 5.135 3.490 165 HG2 MET 30 1HG MET 30 -7.371 7.234 4.352 166 HG3 MET 30 2HG MET 30 -8.854 7.735 3.543 167 HE1 MET 30 1HE MET 30 -9.391 8.132 7.489 168 HE2 MET 30 2HE MET 30 -7.938 8.390 6.523 169 HE3 MET 30 3HE MET 30 -9.492 9.008 5.962 170 H TRP 31 H TRP 31 -6.459 7.507 2.718 171 HA TRP 31 HA TRP 31 -4.445 6.765 0.705 172 HB2 TRP 31 1HB TRP 31 -3.351 8.931 1.853 173 HB3 TRP 31 2HB TRP 31 -4.475 9.034 0.501 174 HD1 TRP 31 HD TRP 31 -5.104 8.690 4.326 175 HE1 TRP 31 1HE TRP 31 -6.779 10.519 5.012 176 HE3 TRP 31 3HE TRP 31 -5.702 10.981 -0.204 177 HZ2 TRP 31 2HZ TRP 31 -8.171 12.651 3.794 178 HZ3 TRP 31 3HZ TRP 31 -7.224 12.909 -0.359 179 HH2 TRP 31 HH TRP 31 -8.433 13.724 1.600 180 H PHE 32 H PHE 32 -2.830 5.504 1.332 181 HA PHE 32 HA PHE 32 -1.843 5.679 4.079 182 HB2 PHE 32 1HB PHE 32 -2.505 3.045 2.748 183 HB3 PHE 32 2HB PHE 32 -1.849 3.267 4.367 184 HD1 PHE 32 1HD PHE 32 -3.350 4.983 5.827 185 HD2 PHE 32 2HD PHE 32 -4.728 2.534 2.630 186 HE1 PHE 32 1HE PHE 32 -5.633 5.080 6.740 187 HE2 PHE 32 2HE PHE 32 -7.012 2.628 3.537 188 HZ PHE 32 HZ PHE 32 -7.468 3.903 5.595 189 H HIS 33 H HIS 33 0.126 3.997 4.208 190 HA HIS 33 HA HIS 33 1.792 4.537 1.839 191 HB2 HIS 33 1HB HIS 33 2.763 4.175 4.678 192 HB3 HIS 33 2HB HIS 33 3.710 4.698 3.287 193 HD2 HIS 33 2HD HIS 33 2.189 7.215 2.189 194 HE1 HIS 33 1HE HIS 33 1.900 8.553 6.204 195 HE2 HIS 33 2HE HIS 33 1.670 9.189 3.778 196 H GLY 34 H GLY 34 2.826 2.877 0.873 197 HA2 GLY 34 1HA GLY 34 2.046 0.300 0.967 198 HA3 GLY 34 2HA GLY 34 3.695 0.752 0.559 199 H LYS 35 H LYS 35 5.017 1.331 2.651 200 HA LYS 35 HA LYS 35 5.421 -1.024 4.066 201 HB2 LYS 35 1HB LYS 35 7.034 0.125 5.296 202 HB3 LYS 35 2HB LYS 35 6.952 1.041 3.797 203 HG2 LYS 35 1HG LYS 35 5.299 1.849 6.152 204 HG3 LYS 35 2HG LYS 35 7.003 2.298 6.050 205 HD2 LYS 35 1HD LYS 35 5.105 2.832 3.786 206 HD3 LYS 35 2HD LYS 35 5.257 3.952 5.142 207 HE2 LYS 35 1HE LYS 35 7.547 4.346 4.670 208 HE3 LYS 35 2HE LYS 35 7.616 3.001 3.533 209 HZ1 LYS 35 1HZ LYS 35 7.180 5.611 2.897 210 HZ2 LYS 35 2HZ LYS 35 5.629 4.939 2.830 211 HZ3 LYS 35 3HZ LYS 35 6.875 4.284 1.892 212 H CYS 36 H CYS 36 3.358 1.716 4.785 213 HA CYS 36 HA CYS 36 2.788 0.994 7.477 214 HB2 CYS 36 1HB CYS 36 1.521 2.845 5.481 215 HB3 CYS 36 2HB CYS 36 0.725 2.514 7.016 216 H VAL 37 H VAL 37 1.331 0.237 4.370 217 HA VAL 37 HA VAL 37 -0.843 -1.230 5.642 218 HB VAL 37 HB VAL 37 -1.731 -1.561 3.414 219 HG11 VAL 37 1HG1 VAL 37 -1.476 0.872 4.690 220 HG12 VAL 37 2HG1 VAL 37 -1.016 1.229 3.024 221 HG13 VAL 37 3HG1 VAL 37 -2.584 0.500 3.370 222 HG21 VAL 37 1HG2 VAL 37 0.470 -1.886 2.301 223 HG22 VAL 37 2HG2 VAL 37 -0.617 -0.811 1.422 224 HG23 VAL 37 3HG2 VAL 37 0.714 -0.141 2.365 225 H LYS 38 H LYS 38 2.165 -1.979 5.491 226 HA LYS 38 HA LYS 38 3.374 -3.905 5.448 227 HB2 LYS 38 1HB LYS 38 0.573 -4.888 5.673 228 HB3 LYS 38 2HB LYS 38 1.813 -6.060 5.249 229 HG2 LYS 38 1HG LYS 38 3.055 -4.992 7.309 230 HG3 LYS 38 2HG LYS 38 1.410 -4.550 7.775 231 HD2 LYS 38 1HD LYS 38 2.158 -7.355 6.988 232 HD3 LYS 38 2HD LYS 38 2.305 -6.772 8.647 233 HE2 LYS 38 1HE LYS 38 0.197 -7.869 8.448 234 HE3 LYS 38 2HE LYS 38 -0.111 -6.137 8.550 235 HZ1 LYS 38 1HZ LYS 38 -1.132 -7.773 6.674 236 HZ2 LYS 38 2HZ LYS 38 0.201 -7.126 5.860 237 HZ3 LYS 38 3HZ LYS 38 -0.976 -6.097 6.505 238 H ILE 39 H ILE 39 3.213 -2.579 3.069 239 HA ILE 39 HA ILE 39 3.378 -4.798 1.165 240 HB ILE 39 HB ILE 39 1.799 -2.269 0.758 241 HG12 ILE 39 1HG1 ILE 39 1.095 -5.149 0.171 242 HG13 ILE 39 2HG1 ILE 39 0.714 -4.346 1.690 243 HG21 ILE 39 1HG2 ILE 39 2.862 -2.215 -1.252 244 HG22 ILE 39 2HG2 ILE 39 3.226 -3.940 -1.231 245 HG23 ILE 39 3HG2 ILE 39 1.603 -3.387 -1.644 246 HD11 ILE 39 1HD1 ILE 39 -1.249 -4.091 0.557 247 HD12 ILE 39 2HD1 ILE 39 -0.427 -2.595 0.113 248 HD13 ILE 39 3HD1 ILE 39 -0.456 -3.953 -1.012 249 H THR 40 H THR 40 4.939 -4.573 -0.407 250 HA THR 40 HA THR 40 6.943 -2.536 0.116 251 HB THR 40 HB THR 40 8.304 -3.805 -1.563 252 HG1 THR 40 1HG THR 40 7.331 -6.002 -1.953 253 HG21 THR 40 1HG2 THR 40 7.160 -5.443 0.704 254 HG22 THR 40 2HG2 THR 40 8.480 -4.280 0.835 255 HG23 THR 40 3HG2 THR 40 8.688 -5.746 -0.123 256 HA PRO 41 HA PRO 41 5.987 0.106 -3.260 257 HB2 PRO 41 1HB PRO 41 8.462 0.991 -3.937 258 HB3 PRO 41 2HB PRO 41 7.627 1.507 -2.468 259 HG2 PRO 41 1HG PRO 41 9.751 -0.575 -2.808 260 HG3 PRO 41 2HG PRO 41 9.585 0.658 -1.544 261 HD2 PRO 41 1HD PRO 41 8.864 -1.924 -1.164 262 HD3 PRO 41 2HD PRO 41 8.028 -0.572 -0.372 263 H ALA 42 H ALA 42 8.047 -2.623 -3.676 264 HA ALA 42 HA ALA 42 8.133 -2.327 -6.579 265 HB1 ALA 42 1HB ALA 42 9.381 -4.622 -6.264 266 HB2 ALA 42 2HB ALA 42 10.189 -3.090 -5.925 267 HB3 ALA 42 3HB ALA 42 9.534 -4.054 -4.601 268 H ARG 43 H ARG 43 6.698 -4.361 -4.089 269 HA ARG 43 HA ARG 43 5.604 -6.300 -5.846 270 HB2 ARG 43 1HB ARG 43 5.932 -6.698 -3.435 271 HB3 ARG 43 2HB ARG 43 4.695 -5.501 -3.075 272 HG2 ARG 43 1HG ARG 43 3.019 -6.875 -4.178 273 HG3 ARG 43 2HG ARG 43 4.254 -8.065 -4.592 274 HD2 ARG 43 1HD ARG 43 3.705 -7.244 -1.754 275 HD3 ARG 43 2HD ARG 43 2.808 -8.540 -2.545 276 HE ARG 43 HE ARG 43 5.384 -9.245 -2.950 277 HH11 ARG 43 2HH1 ARG 43 3.575 -8.348 -0.114 278 HH12 ARG 43 1HH1 ARG 43 4.519 -9.328 0.958 279 HH21 ARG 43 2HH2 ARG 43 6.635 -10.539 -1.548 280 HH22 ARG 43 1HH2 ARG 43 6.260 -10.573 0.142 281 H ALA 44 H ALA 44 4.399 -3.266 -4.518 282 HA ALA 44 HA ALA 44 1.757 -3.259 -4.975 283 HB1 ALA 44 1HB ALA 44 1.834 -0.977 -5.061 284 HB2 ALA 44 2HB ALA 44 3.448 -1.311 -4.432 285 HB3 ALA 44 3HB ALA 44 3.226 -0.953 -6.144 286 H GLU 45 H GLU 45 4.234 -3.127 -7.484 287 HA GLU 45 HA GLU 45 2.729 -2.526 -9.706 288 HB2 GLU 45 1HB GLU 45 4.912 -4.612 -9.622 289 HB3 GLU 45 2HB GLU 45 4.394 -3.683 -11.022 290 HG2 GLU 45 1HG GLU 45 5.196 -1.637 -9.980 291 HG3 GLU 45 2HG GLU 45 5.688 -2.547 -8.553 292 H HIS 46 H HIS 46 3.217 -5.716 -8.225 293 HA HIS 46 HA HIS 46 1.452 -7.014 -10.092 294 HB2 HIS 46 1HB HIS 46 2.452 -8.141 -7.478 295 HB3 HIS 46 2HB HIS 46 1.925 -9.027 -8.906 296 HD1 HIS 46 1HD HIS 46 3.739 -9.798 -10.404 297 HD2 HIS 46 2HD HIS 46 4.944 -6.618 -8.019 298 HE1 HIS 46 1HE HIS 46 6.186 -9.483 -10.890 299 HE2 HIS 46 2HE HIS 46 6.913 -7.609 -9.372 300 H ILE 47 H ILE 47 1.025 -5.172 -7.307 301 HA ILE 47 HA ILE 47 -1.466 -6.488 -6.540 302 HB ILE 47 HB ILE 47 -0.102 -4.091 -5.307 303 HG12 ILE 47 1HG1 ILE 47 -0.179 -6.984 -4.421 304 HG13 ILE 47 2HG1 ILE 47 1.221 -6.152 -5.089 305 HG21 ILE 47 1HG2 ILE 47 -1.806 -3.900 -3.862 306 HG22 ILE 47 2HG2 ILE 47 -2.724 -4.783 -5.081 307 HG23 ILE 47 3HG2 ILE 47 -2.010 -5.646 -3.719 308 HD11 ILE 47 1HD1 ILE 47 -0.161 -5.310 -2.558 309 HD12 ILE 47 2HD1 ILE 47 1.220 -6.406 -2.610 310 HD13 ILE 47 3HD1 ILE 47 1.389 -4.746 -3.182 311 H LYS 48 H LYS 48 -3.451 -5.696 -6.950 312 HA LYS 48 HA LYS 48 -3.680 -3.004 -8.102 313 HB2 LYS 48 1HB LYS 48 -4.500 -5.598 -9.311 314 HB3 LYS 48 2HB LYS 48 -5.571 -4.221 -9.537 315 HG2 LYS 48 1HG LYS 48 -4.235 -4.098 -11.401 316 HG3 LYS 48 2HG LYS 48 -3.410 -2.997 -10.296 317 HD2 LYS 48 1HD LYS 48 -1.621 -4.228 -10.999 318 HD3 LYS 48 2HD LYS 48 -2.127 -5.217 -9.627 319 HE2 LYS 48 1HE LYS 48 -3.338 -5.776 -12.284 320 HE3 LYS 48 2HE LYS 48 -1.666 -6.264 -12.017 321 HZ1 LYS 48 1HZ LYS 48 -3.899 -7.661 -11.286 322 HZ2 LYS 48 2HZ LYS 48 -3.351 -6.993 -9.833 323 HZ3 LYS 48 3HZ LYS 48 -2.319 -7.958 -10.762 324 H GLN 49 H GLN 49 -4.716 -2.040 -6.436 325 HA GLN 49 HA GLN 49 -6.493 -1.402 -5.156 326 HB2 GLN 49 1HB GLN 49 -8.054 -3.696 -6.336 327 HB3 GLN 49 2HB GLN 49 -8.683 -2.217 -5.621 328 HG2 GLN 49 1HG GLN 49 -7.042 -2.291 -8.139 329 HG3 GLN 49 2HG GLN 49 -8.805 -2.323 -8.108 330 HE21 GLN 49 1HE2 GLN 49 -8.416 -0.366 -9.446 331 HE22 GLN 49 2HE2 GLN 49 -8.259 1.147 -8.626 332 H TYR 50 H TYR 50 -4.654 -2.706 -3.830 333 HA TYR 50 HA TYR 50 -5.409 -5.135 -2.606 334 HB2 TYR 50 1HB TYR 50 -3.149 -4.708 -2.380 335 HB3 TYR 50 2HB TYR 50 -3.397 -3.004 -2.020 336 HD1 TYR 50 1HD TYR 50 -3.779 -6.411 -0.586 337 HD2 TYR 50 2HD TYR 50 -3.414 -2.245 0.197 338 HE1 TYR 50 1HE TYR 50 -3.537 -6.890 1.815 339 HE2 TYR 50 2HE TYR 50 -3.170 -2.712 2.600 340 HH TYR 50 HH TYR 50 -3.565 -5.962 3.889 341 H LYS 51 H LYS 51 -6.188 -5.535 -0.498 342 HA LYS 51 HA LYS 51 -8.175 -3.619 0.369 343 HB2 LYS 51 1HB LYS 51 -8.562 -6.116 0.226 344 HB3 LYS 51 2HB LYS 51 -7.509 -6.283 1.625 345 HG2 LYS 51 1HG LYS 51 -9.035 -4.871 2.927 346 HG3 LYS 51 2HG LYS 51 -10.099 -4.748 1.524 347 HD2 LYS 51 1HD LYS 51 -10.085 -7.336 1.588 348 HD3 LYS 51 2HD LYS 51 -9.496 -7.131 3.239 349 HE2 LYS 51 1HE LYS 51 -11.483 -5.616 3.621 350 HE3 LYS 51 2HE LYS 51 -12.096 -6.172 2.064 351 HZ1 LYS 51 1HZ LYS 51 -12.564 -7.366 4.442 352 HZ2 LYS 51 2HZ LYS 51 -11.303 -8.307 3.820 353 HZ3 LYS 51 3HZ LYS 51 -12.730 -8.111 2.932 354 H CYS 52 H CYS 52 -7.119 -1.913 1.320 355 HA CYS 52 HA CYS 52 -4.934 -1.834 2.923 356 HB2 CYS 52 1HB CYS 52 -5.603 0.269 3.577 357 HB3 CYS 52 2HB CYS 52 -6.654 0.032 2.185 358 HA PRO 53 HA PRO 53 -5.694 -3.969 6.680 359 HB2 PRO 53 1HB PRO 53 -4.331 -2.438 8.460 360 HB3 PRO 53 2HB PRO 53 -3.530 -3.470 7.269 361 HG2 PRO 53 1HG PRO 53 -4.045 -0.523 7.179 362 HG3 PRO 53 2HG PRO 53 -2.582 -1.417 6.728 363 HD2 PRO 53 1HD PRO 53 -4.366 -0.526 4.897 364 HD3 PRO 53 2HD PRO 53 -3.430 -2.017 4.670 365 H SER 54 H SER 54 -6.674 -0.678 6.328 366 HA SER 54 HA SER 54 -7.930 -0.341 8.853 367 HB2 SER 54 1HB SER 54 -7.277 1.418 7.004 368 HB3 SER 54 2HB SER 54 -8.904 1.090 6.408 369 HG SER 54 HG SER 54 -8.904 2.815 7.891 370 H CYS 55 H CYS 55 -8.972 -1.633 5.761 371 HA CYS 55 HA CYS 55 -11.706 -1.967 6.724 372 HB2 CYS 55 1HB CYS 55 -10.445 -2.598 4.046 373 HB3 CYS 55 2HB CYS 55 -12.151 -2.806 4.428 374 H SER 56 H SER 56 -9.184 -4.036 5.277 375 HA SER 56 HA SER 56 -10.205 -6.501 5.477 376 HB2 SER 56 1HB SER 56 -8.030 -6.601 4.759 377 HB3 SER 56 2HB SER 56 -7.466 -5.446 5.965 378 HG SER 56 HG SER 56 -7.645 -7.103 7.526 379 H ASN 57 H ASN 57 -9.116 -4.558 8.201 380 HA ASN 57 HA ASN 57 -9.208 -6.494 10.207 381 HB2 ASN 57 1HB ASN 57 -8.225 -4.324 10.624 382 HB3 ASN 57 2HB ASN 57 -9.770 -3.526 10.348 383 HD21 ASN 57 1HD2 ASN 57 -11.351 -3.599 11.923 384 HD22 ASN 57 2HD2 ASN 57 -11.023 -4.106 13.543 385 H LYS 58 H LYS 58 -11.757 -4.322 9.028 386 HA LYS 58 HA LYS 58 -13.800 -4.822 10.746 387 HB2 LYS 58 1HB LYS 58 -13.950 -4.633 7.733 388 HB3 LYS 58 2HB LYS 58 -15.346 -4.539 8.798 389 HG2 LYS 58 1HG LYS 58 -13.913 -2.622 9.918 390 HG3 LYS 58 2HG LYS 58 -13.189 -2.561 8.309 391 HD2 LYS 58 1HD LYS 58 -16.155 -2.638 8.506 392 HD3 LYS 58 2HD LYS 58 -15.335 -1.135 8.935 393 HE2 LYS 58 1HE LYS 58 -14.693 -2.560 6.380 394 HE3 LYS 58 2HE LYS 58 -16.097 -1.499 6.490 395 HZ1 LYS 58 1HZ LYS 58 -13.308 -0.691 7.113 396 HZ2 LYS 58 2HZ LYS 58 -14.666 0.317 7.109 397 HZ3 LYS 58 3HZ LYS 58 -14.110 -0.357 5.661 398 H SER 59 H SER 59 -15.295 -6.404 11.127 399 HA SER 59 HA SER 59 -16.144 -8.510 11.273 400 HB2 SER 59 1HB SER 59 -16.589 -7.852 8.779 401 HB3 SER 59 2HB SER 59 -15.337 -9.044 8.432 402 HG SER 59 HG SER 59 -16.622 -10.618 9.100 403 H GLY 60 H GLY 60 -13.457 -8.157 12.073 404 HA2 GLY 60 1HA GLY 60 -11.999 -10.480 11.083 405 HA3 GLY 60 2HA GLY 60 -11.396 -9.273 12.209 406 HA PRO 61 HA PRO 61 -13.043 -13.255 14.313 407 HB2 PRO 61 1HB PRO 61 -10.723 -14.641 14.573 408 HB3 PRO 61 2HB PRO 61 -11.807 -14.834 13.191 409 HG2 PRO 61 1HG PRO 61 -9.296 -13.220 13.418 410 HG3 PRO 61 2HG PRO 61 -9.842 -14.258 12.088 411 HD2 PRO 61 1HD PRO 61 -10.091 -11.562 12.029 412 HD3 PRO 61 2HD PRO 61 -11.258 -12.646 11.245 413 H SER 62 H SER 62 -10.162 -11.282 14.665 414 HA SER 62 HA SER 62 -10.066 -11.760 17.540 415 HB2 SER 62 1HB SER 62 -8.065 -10.174 17.378 416 HB3 SER 62 2HB SER 62 -7.909 -11.726 16.556 417 HG SER 62 HG SER 62 -8.178 -9.160 15.494 418 H SER 63 H SER 63 -11.072 -9.351 15.247 419 HA SER 63 HA SER 63 -12.375 -7.855 17.351 420 HB2 SER 63 1HB SER 63 -10.353 -6.471 15.574 421 HB3 SER 63 2HB SER 63 -11.352 -5.713 16.813 422 HG SER 63 HG SER 63 -10.190 -7.537 18.133 423 H GLY 64 H GLY 64 -14.362 -7.545 16.613 424 HA2 GLY 64 1HA GLY 64 -14.879 -7.560 13.752 425 HA3 GLY 64 2HA GLY 64 -16.083 -7.582 15.032 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -8.058 27.420 0.277 2 HA2 GLY 1 1HA GLY 1 -6.603 28.171 2.049 3 HA3 GLY 1 2HA GLY 1 -8.127 29.025 2.244 4 H SER 2 H SER 2 -5.933 27.920 4.105 5 HA SER 2 HA SER 2 -5.773 26.949 6.162 6 HB2 SER 2 1HB SER 2 -8.488 28.209 6.131 7 HB3 SER 2 2HB SER 2 -8.019 27.225 7.517 8 HG SER 2 HG SER 2 -6.023 28.621 7.433 9 H SER 3 H SER 3 -6.232 25.102 4.148 10 HA SER 3 HA SER 3 -8.039 23.164 5.437 11 HB2 SER 3 1HB SER 3 -8.771 23.748 3.176 12 HB3 SER 3 2HB SER 3 -7.183 23.326 2.536 13 HG SER 3 HG SER 3 -9.130 21.615 3.669 14 H GLY 4 H GLY 4 -4.990 23.447 3.623 15 HA2 GLY 4 1HA GLY 4 -2.954 22.448 4.288 16 HA3 GLY 4 2HA GLY 4 -3.858 21.348 5.319 17 H SER 5 H SER 5 -2.985 19.456 4.579 18 HA SER 5 HA SER 5 -3.451 18.830 1.736 19 HB2 SER 5 1HB SER 5 -1.093 18.772 2.158 20 HB3 SER 5 2HB SER 5 -1.319 17.829 3.631 21 HG SER 5 HG SER 5 -2.188 16.838 1.142 22 H SER 6 H SER 6 -5.405 17.854 1.754 23 HA SER 6 HA SER 6 -6.227 16.052 3.820 24 HB2 SER 6 1HB SER 6 -7.715 17.527 2.307 25 HB3 SER 6 2HB SER 6 -7.525 16.246 1.109 26 HG SER 6 HG SER 6 -8.155 14.960 3.231 27 H GLY 7 H GLY 7 -5.900 13.928 3.969 28 HA2 GLY 7 1HA GLY 7 -6.034 11.829 2.505 29 HA3 GLY 7 2HA GLY 7 -4.683 12.567 1.656 30 H GLN 8 H GLN 8 -5.333 12.435 5.139 31 HA GLN 8 HA GLN 8 -2.643 11.632 5.683 32 HB2 GLN 8 1HB GLN 8 -4.156 13.075 7.155 33 HB3 GLN 8 2HB GLN 8 -4.929 11.573 7.644 34 HG2 GLN 8 1HG GLN 8 -2.924 10.759 8.617 35 HG3 GLN 8 2HG GLN 8 -1.979 12.072 7.916 36 HE21 GLN 8 1HE2 GLN 8 -1.379 12.130 10.285 37 HE22 GLN 8 2HE2 GLN 8 -2.312 13.179 11.292 38 H CYS 9 H CYS 9 -1.894 9.679 6.498 39 HA CYS 9 HA CYS 9 -3.422 7.362 5.671 40 HB2 CYS 9 1HB CYS 9 -1.158 7.205 5.071 41 HB3 CYS 9 2HB CYS 9 -0.608 7.794 6.636 42 H GLY 10 H GLY 10 -4.638 6.153 6.967 43 HA2 GLY 10 1HA GLY 10 -5.041 6.794 9.689 44 HA3 GLY 10 2HA GLY 10 -5.655 5.366 8.869 45 H ALA 11 H ALA 11 -3.065 4.349 8.107 46 HA ALA 11 HA ALA 11 -2.499 2.709 10.277 47 HB1 ALA 11 1HB ALA 11 -0.148 3.016 8.675 48 HB2 ALA 11 2HB ALA 11 -1.277 1.663 8.750 49 HB3 ALA 11 3HB ALA 11 -1.575 2.999 7.637 50 H CYS 12 H CYS 12 -0.740 5.598 9.163 51 HA CYS 12 HA CYS 12 0.324 5.895 11.886 52 HB2 CYS 12 1HB CYS 12 2.511 6.479 11.053 53 HB3 CYS 12 2HB CYS 12 2.061 4.913 10.387 54 H GLY 13 H GLY 13 -0.174 7.462 8.734 55 HA2 GLY 13 1HA GLY 13 -1.066 9.545 8.274 56 HA3 GLY 13 2HA GLY 13 -1.318 9.775 9.997 57 H GLU 14 H GLU 14 1.620 9.218 8.064 58 HA GLU 14 HA GLU 14 3.129 11.094 9.573 59 HB2 GLU 14 1HB GLU 14 3.617 9.537 7.056 60 HB3 GLU 14 2HB GLU 14 4.744 10.794 7.547 61 HG2 GLU 14 1HG GLU 14 3.951 8.433 9.235 62 HG3 GLU 14 2HG GLU 14 5.426 8.549 8.277 63 H SER 15 H SER 15 4.541 12.674 8.004 64 HA SER 15 HA SER 15 2.670 14.721 7.269 65 HB2 SER 15 1HB SER 15 5.637 14.504 7.477 66 HB3 SER 15 2HB SER 15 4.974 15.792 6.472 67 HG SER 15 HG SER 15 3.800 15.487 8.957 68 H TYR 16 H TYR 16 2.535 15.755 5.210 69 HA TYR 16 HA TYR 16 2.086 14.097 3.061 70 HB2 TYR 16 1HB TYR 16 1.140 16.238 2.920 71 HB3 TYR 16 2HB TYR 16 2.675 17.039 3.239 72 HD1 TYR 16 1HD TYR 16 1.535 14.512 0.724 73 HD2 TYR 16 2HD TYR 16 3.356 18.292 1.432 74 HE1 TYR 16 1HE TYR 16 1.885 14.789 -1.695 75 HE2 TYR 16 2HE TYR 16 3.710 18.580 -0.985 76 HH TYR 16 HH TYR 16 3.488 17.681 -2.999 77 H ALA 17 H ALA 17 3.310 13.083 1.610 78 HA ALA 17 HA ALA 17 6.047 14.023 1.130 79 HB1 ALA 17 1HB ALA 17 6.497 12.335 2.676 80 HB2 ALA 17 2HB ALA 17 5.241 11.279 2.030 81 HB3 ALA 17 3HB ALA 17 6.724 11.549 1.114 82 H ALA 18 H ALA 18 6.816 13.682 -0.929 83 HA ALA 18 HA ALA 18 4.805 12.962 -2.909 84 HB1 ALA 18 1HB ALA 18 5.753 14.567 -4.109 85 HB2 ALA 18 2HB ALA 18 6.919 14.833 -2.812 86 HB3 ALA 18 3HB ALA 18 7.285 13.693 -4.107 87 H ASP 19 H ASP 19 8.187 12.121 -2.166 88 HA ASP 19 HA ASP 19 8.427 10.056 -4.047 89 HB2 ASP 19 1HB ASP 19 10.453 9.512 -3.004 90 HB3 ASP 19 2HB ASP 19 10.257 11.228 -2.656 91 H GLU 20 H GLU 20 7.623 9.919 -0.583 92 HA GLU 20 HA GLU 20 7.436 7.295 -0.063 93 HB2 GLU 20 1HB GLU 20 5.563 9.523 0.676 94 HB3 GLU 20 2HB GLU 20 5.264 7.882 1.229 95 HG2 GLU 20 1HG GLU 20 7.716 9.536 1.783 96 HG3 GLU 20 2HG GLU 20 6.430 9.145 2.923 97 H PHE 21 H PHE 21 6.317 5.551 -0.701 98 HA PHE 21 HA PHE 21 4.490 5.856 -2.940 99 HB2 PHE 21 1HB PHE 21 5.879 4.097 -3.434 100 HB3 PHE 21 2HB PHE 21 6.047 3.616 -1.749 101 HD1 PHE 21 1HD PHE 21 3.184 3.960 -4.123 102 HD2 PHE 21 2HD PHE 21 5.289 1.493 -1.366 103 HE1 PHE 21 1HE PHE 21 1.539 2.165 -4.478 104 HE2 PHE 21 2HE PHE 21 3.648 -0.306 -1.717 105 HZ PHE 21 HZ PHE 21 1.771 0.028 -3.275 106 H TRP 22 H TRP 22 2.368 5.966 -2.685 107 HA TRP 22 HA TRP 22 1.188 5.092 -0.153 108 HB2 TRP 22 1HB TRP 22 -0.091 6.698 -2.374 109 HB3 TRP 22 2HB TRP 22 -0.727 6.446 -0.751 110 HD1 TRP 22 HD TRP 22 2.217 8.225 -2.517 111 HE1 TRP 22 1HE TRP 22 2.934 10.221 -1.059 112 HE3 TRP 22 3HE TRP 22 -0.839 7.431 1.503 113 HZ2 TRP 22 2HZ TRP 22 2.290 11.313 1.463 114 HZ3 TRP 22 3HZ TRP 22 -0.726 8.997 3.398 115 HH2 TRP 22 HH TRP 22 0.806 10.897 3.376 116 H ILE 23 H ILE 23 -0.844 3.917 -0.169 117 HA ILE 23 HA ILE 23 -0.930 1.981 -2.375 118 HB ILE 23 HB ILE 23 -1.960 0.433 -0.899 119 HG12 ILE 23 1HG1 ILE 23 -2.269 1.339 1.588 120 HG13 ILE 23 2HG1 ILE 23 -2.494 2.866 0.741 121 HG21 ILE 23 1HG2 ILE 23 0.253 0.225 -0.410 122 HG22 ILE 23 2HG2 ILE 23 0.407 1.897 0.125 123 HG23 ILE 23 3HG2 ILE 23 -0.336 0.698 1.184 124 HD11 ILE 23 1HD1 ILE 23 -4.624 2.273 0.559 125 HD12 ILE 23 2HD1 ILE 23 -4.089 1.118 -0.663 126 HD13 ILE 23 3HD1 ILE 23 -4.283 0.604 1.013 127 H CYS 24 H CYS 24 -3.094 1.126 -2.959 128 HA CYS 24 HA CYS 24 -5.146 3.236 -2.818 129 HB2 CYS 24 1HB CYS 24 -5.856 2.599 -5.075 130 HB3 CYS 24 2HB CYS 24 -4.167 3.092 -5.065 131 HG CYS 24 HG CYS 24 -4.185 1.033 -6.823 132 H CYS 25 H CYS 25 -7.142 2.652 -2.191 133 HA CYS 25 HA CYS 25 -7.675 -0.227 -1.854 134 HB2 CYS 25 1HB CYS 25 -7.343 0.937 0.299 135 HB3 CYS 25 2HB CYS 25 -8.648 2.046 -0.110 136 H ASP 26 H ASP 26 -9.936 -0.859 -1.954 137 HA ASP 26 HA ASP 26 -11.411 0.795 -3.882 138 HB2 ASP 26 1HB ASP 26 -10.727 -1.722 -4.252 139 HB3 ASP 26 2HB ASP 26 -12.156 -2.038 -3.271 140 H LEU 27 H LEU 27 -12.014 -1.309 -1.068 141 HA LEU 27 HA LEU 27 -14.667 -0.728 -0.630 142 HB2 LEU 27 1HB LEU 27 -12.423 -1.361 1.254 143 HB3 LEU 27 2HB LEU 27 -14.058 -1.078 1.847 144 HG LEU 27 HG LEU 27 -13.673 -3.114 -0.290 145 HD11 LEU 27 1HD1 LEU 27 -12.451 -3.233 2.372 146 HD12 LEU 27 2HD1 LEU 27 -12.104 -4.165 0.916 147 HD13 LEU 27 3HD1 LEU 27 -13.452 -4.625 1.955 148 HD21 LEU 27 1HD2 LEU 27 -15.907 -2.513 0.535 149 HD22 LEU 27 2HD2 LEU 27 -15.423 -2.982 2.165 150 HD23 LEU 27 3HD2 LEU 27 -15.503 -4.194 0.885 151 H CYS 28 H CYS 28 -11.937 0.883 1.014 152 HA CYS 28 HA CYS 28 -13.703 3.148 1.600 153 HB2 CYS 28 1HB CYS 28 -12.232 3.737 3.342 154 HB3 CYS 28 2HB CYS 28 -12.301 1.979 3.402 155 H GLU 29 H GLU 29 -10.584 2.368 0.124 156 HA GLU 29 HA GLU 29 -9.363 3.438 -1.474 157 HB2 GLU 29 1HB GLU 29 -11.817 3.886 -2.319 158 HB3 GLU 29 2HB GLU 29 -11.463 5.536 -1.826 159 HG2 GLU 29 1HG GLU 29 -9.477 4.153 -3.536 160 HG3 GLU 29 2HG GLU 29 -10.995 4.661 -4.276 161 H MET 30 H MET 30 -8.696 4.007 1.060 162 HA MET 30 HA MET 30 -8.546 6.898 1.380 163 HB2 MET 30 1HB MET 30 -8.048 4.537 3.119 164 HB3 MET 30 2HB MET 30 -7.140 6.002 3.468 165 HG2 MET 30 1HG MET 30 -10.132 5.939 3.211 166 HG3 MET 30 2HG MET 30 -9.282 5.713 4.737 167 HE1 MET 30 1HE MET 30 -8.969 7.103 6.186 168 HE2 MET 30 2HE MET 30 -7.881 8.467 5.928 169 HE3 MET 30 3HE MET 30 -9.606 8.748 6.173 170 H TRP 31 H TRP 31 -6.205 7.436 2.480 171 HA TRP 31 HA TRP 31 -4.234 6.636 0.440 172 HB2 TRP 31 1HB TRP 31 -4.568 9.250 1.917 173 HB3 TRP 31 2HB TRP 31 -3.137 8.853 0.970 174 HD1 TRP 31 HD TRP 31 -6.975 9.048 0.374 175 HE1 TRP 31 1HE TRP 31 -7.355 9.968 -2.000 176 HE3 TRP 31 3HE TRP 31 -2.106 9.446 -1.131 177 HZ2 TRP 31 2HZ TRP 31 -5.796 10.758 -4.217 178 HZ3 TRP 31 3HZ TRP 31 -1.636 10.291 -3.393 179 HH2 TRP 31 HH TRP 31 -3.444 10.933 -4.903 180 H PHE 32 H PHE 32 -3.056 5.065 1.376 181 HA PHE 32 HA PHE 32 -1.908 5.631 4.031 182 HB2 PHE 32 1HB PHE 32 -2.328 2.883 2.852 183 HB3 PHE 32 2HB PHE 32 -1.887 3.285 4.508 184 HD1 PHE 32 1HD PHE 32 -3.709 5.172 5.459 185 HD2 PHE 32 2HD PHE 32 -4.436 2.018 2.695 186 HE1 PHE 32 1HE PHE 32 -6.087 5.169 6.093 187 HE2 PHE 32 2HE PHE 32 -6.815 2.011 3.323 188 HZ PHE 32 HZ PHE 32 -7.643 3.588 5.024 189 H HIS 33 H HIS 33 0.103 3.959 4.260 190 HA HIS 33 HA HIS 33 1.860 4.624 1.996 191 HB2 HIS 33 1HB HIS 33 2.505 4.121 4.906 192 HB3 HIS 33 2HB HIS 33 3.720 4.351 3.652 193 HD2 HIS 33 2HD HIS 33 3.124 7.011 2.253 194 HE1 HIS 33 1HE HIS 33 2.106 8.687 6.015 195 HE2 HIS 33 2HE HIS 33 2.645 9.165 3.602 196 H GLY 34 H GLY 34 2.874 3.053 0.884 197 HA2 GLY 34 1HA GLY 34 2.037 0.462 0.789 198 HA3 GLY 34 2HA GLY 34 3.652 0.960 0.307 199 H LYS 35 H LYS 35 4.789 1.657 2.698 200 HA LYS 35 HA LYS 35 5.550 -0.837 3.746 201 HB2 LYS 35 1HB LYS 35 7.104 0.952 3.899 202 HB3 LYS 35 2HB LYS 35 5.945 1.986 4.723 203 HG2 LYS 35 1HG LYS 35 7.494 1.275 6.353 204 HG3 LYS 35 2HG LYS 35 6.014 0.355 6.637 205 HD2 LYS 35 1HD LYS 35 7.736 -1.228 6.806 206 HD3 LYS 35 2HD LYS 35 7.079 -1.462 5.185 207 HE2 LYS 35 1HE LYS 35 9.367 -1.470 4.815 208 HE3 LYS 35 2HE LYS 35 8.924 0.198 4.458 209 HZ1 LYS 35 1HZ LYS 35 10.491 0.759 5.908 210 HZ2 LYS 35 2HZ LYS 35 10.655 -0.821 6.488 211 HZ3 LYS 35 3HZ LYS 35 9.469 0.198 7.133 212 H CYS 36 H CYS 36 3.275 1.605 4.897 213 HA CYS 36 HA CYS 36 2.751 0.516 7.423 214 HB2 CYS 36 1HB CYS 36 1.200 2.278 5.555 215 HB3 CYS 36 2HB CYS 36 0.445 1.680 7.029 216 H VAL 37 H VAL 37 1.138 -0.029 4.306 217 HA VAL 37 HA VAL 37 -0.682 -1.966 5.394 218 HB VAL 37 HB VAL 37 -1.217 -0.551 3.408 219 HG11 VAL 37 1HG1 VAL 37 0.819 -2.334 2.083 220 HG12 VAL 37 2HG1 VAL 37 -0.344 -1.339 1.205 221 HG13 VAL 37 3HG1 VAL 37 0.869 -0.578 2.236 222 HG21 VAL 37 1HG2 VAL 37 -2.714 -2.081 2.731 223 HG22 VAL 37 2HG2 VAL 37 -1.470 -3.257 2.308 224 HG23 VAL 37 3HG2 VAL 37 -1.998 -3.097 3.982 225 H LYS 38 H LYS 38 2.476 -2.198 5.157 226 HA LYS 38 HA LYS 38 3.972 -3.908 5.056 227 HB2 LYS 38 1HB LYS 38 1.523 -5.681 5.041 228 HB3 LYS 38 2HB LYS 38 3.166 -6.181 5.421 229 HG2 LYS 38 1HG LYS 38 3.146 -5.169 7.483 230 HG3 LYS 38 2HG LYS 38 1.900 -4.008 7.019 231 HD2 LYS 38 1HD LYS 38 0.184 -5.558 7.281 232 HD3 LYS 38 2HD LYS 38 1.280 -6.936 7.153 233 HE2 LYS 38 1HE LYS 38 2.027 -6.707 9.332 234 HE3 LYS 38 2HE LYS 38 1.563 -5.009 9.420 235 HZ1 LYS 38 1HZ LYS 38 -0.242 -5.715 10.476 236 HZ2 LYS 38 2HZ LYS 38 0.050 -7.335 10.087 237 HZ3 LYS 38 3HZ LYS 38 -0.786 -6.342 9.002 238 H ILE 39 H ILE 39 3.559 -2.703 2.686 239 HA ILE 39 HA ILE 39 3.863 -4.928 0.805 240 HB ILE 39 HB ILE 39 2.022 -2.574 0.430 241 HG12 ILE 39 1HG1 ILE 39 1.565 -5.530 -0.008 242 HG13 ILE 39 2HG1 ILE 39 1.175 -4.691 1.490 243 HG21 ILE 39 1HG2 ILE 39 3.468 -2.791 -1.544 244 HG22 ILE 39 2HG2 ILE 39 2.989 -4.481 -1.696 245 HG23 ILE 39 3HG2 ILE 39 1.791 -3.203 -1.903 246 HD11 ILE 39 1HD1 ILE 39 -0.519 -3.437 0.470 247 HD12 ILE 39 2HD1 ILE 39 0.044 -3.843 -1.152 248 HD13 ILE 39 3HD1 ILE 39 -0.715 -5.078 -0.148 249 H THR 40 H THR 40 5.643 -4.720 -0.377 250 HA THR 40 HA THR 40 7.314 -2.422 -0.133 251 HB THR 40 HB THR 40 8.558 -3.709 -2.088 252 HG1 THR 40 1HG THR 40 7.575 -5.504 -2.598 253 HG21 THR 40 1HG2 THR 40 9.028 -3.468 0.491 254 HG22 THR 40 2HG2 THR 40 9.900 -4.657 -0.477 255 HG23 THR 40 3HG2 THR 40 8.534 -5.160 0.519 256 HA PRO 41 HA PRO 41 6.076 0.019 -3.568 257 HB2 PRO 41 1HB PRO 41 8.453 1.065 -4.359 258 HB3 PRO 41 2HB PRO 41 7.628 1.565 -2.877 259 HG2 PRO 41 1HG PRO 41 9.894 -0.360 -3.225 260 HG3 PRO 41 2HG PRO 41 9.675 0.900 -1.997 261 HD2 PRO 41 1HD PRO 41 9.167 -1.715 -1.510 262 HD3 PRO 41 2HD PRO 41 8.256 -0.404 -0.732 263 H ALA 42 H ALA 42 8.179 -2.639 -3.951 264 HA ALA 42 HA ALA 42 8.298 -2.400 -6.855 265 HB1 ALA 42 1HB ALA 42 10.173 -3.258 -5.209 266 HB2 ALA 42 2HB ALA 42 9.337 -4.795 -5.433 267 HB3 ALA 42 3HB ALA 42 9.989 -3.934 -6.828 268 H ARG 43 H ARG 43 7.015 -4.610 -4.387 269 HA ARG 43 HA ARG 43 5.795 -6.385 -6.233 270 HB2 ARG 43 1HB ARG 43 6.325 -7.086 -3.960 271 HB3 ARG 43 2HB ARG 43 5.213 -5.890 -3.308 272 HG2 ARG 43 1HG ARG 43 3.334 -7.054 -4.308 273 HG3 ARG 43 2HG ARG 43 4.432 -8.228 -5.038 274 HD2 ARG 43 1HD ARG 43 4.355 -7.764 -2.073 275 HD3 ARG 43 2HD ARG 43 3.247 -8.885 -2.864 276 HE ARG 43 HE ARG 43 6.079 -9.251 -2.424 277 HH11 ARG 43 2HH1 ARG 43 3.263 -10.254 -4.208 278 HH12 ARG 43 1HH1 ARG 43 3.910 -11.811 -4.608 279 HH21 ARG 43 2HH2 ARG 43 6.942 -11.297 -2.943 280 HH22 ARG 43 1HH2 ARG 43 6.002 -12.404 -3.887 281 H ALA 44 H ALA 44 4.651 -3.561 -4.452 282 HA ALA 44 HA ALA 44 1.970 -3.608 -4.734 283 HB1 ALA 44 1HB ALA 44 2.924 -1.720 -3.706 284 HB2 ALA 44 2HB ALA 44 3.861 -1.309 -5.144 285 HB3 ALA 44 3HB ALA 44 2.109 -1.104 -5.145 286 H GLU 45 H GLU 45 4.292 -2.975 -7.313 287 HA GLU 45 HA GLU 45 2.681 -2.061 -9.331 288 HB2 GLU 45 1HB GLU 45 5.123 -3.769 -9.272 289 HB3 GLU 45 2HB GLU 45 4.259 -3.619 -10.796 290 HG2 GLU 45 1HG GLU 45 4.917 -1.142 -9.296 291 HG3 GLU 45 2HG GLU 45 6.210 -1.982 -10.149 292 H HIS 46 H HIS 46 3.159 -5.428 -8.333 293 HA HIS 46 HA HIS 46 1.480 -6.540 -10.337 294 HB2 HIS 46 1HB HIS 46 2.349 -7.678 -7.672 295 HB3 HIS 46 2HB HIS 46 1.574 -8.595 -8.961 296 HD1 HIS 46 1HD HIS 46 3.421 -10.114 -9.679 297 HD2 HIS 46 2HD HIS 46 4.641 -6.150 -9.433 298 HE1 HIS 46 1HE HIS 46 5.750 -10.067 -10.627 299 HE2 HIS 46 2HE HIS 46 6.499 -7.674 -10.389 300 H ILE 47 H ILE 47 0.958 -5.514 -7.001 301 HA ILE 47 HA ILE 47 -1.677 -6.507 -6.753 302 HB ILE 47 HB ILE 47 -0.382 -4.192 -5.308 303 HG12 ILE 47 1HG1 ILE 47 -0.733 -7.041 -4.369 304 HG13 ILE 47 2HG1 ILE 47 0.741 -6.455 -5.134 305 HG21 ILE 47 1HG2 ILE 47 -2.151 -4.121 -3.859 306 HG22 ILE 47 2HG2 ILE 47 -2.989 -4.553 -5.349 307 HG23 ILE 47 3HG2 ILE 47 -2.607 -5.797 -4.159 308 HD11 ILE 47 1HD1 ILE 47 1.374 -6.091 -3.016 309 HD12 ILE 47 2HD1 ILE 47 0.430 -4.612 -3.194 310 HD13 ILE 47 3HD1 ILE 47 -0.284 -6.026 -2.419 311 H LYS 48 H LYS 48 -3.618 -5.669 -7.283 312 HA LYS 48 HA LYS 48 -3.620 -3.087 -8.701 313 HB2 LYS 48 1HB LYS 48 -5.186 -5.614 -9.113 314 HB3 LYS 48 2HB LYS 48 -5.828 -4.075 -9.670 315 HG2 LYS 48 1HG LYS 48 -3.081 -4.990 -10.441 316 HG3 LYS 48 2HG LYS 48 -4.516 -5.507 -11.330 317 HD2 LYS 48 1HD LYS 48 -3.921 -2.609 -10.794 318 HD3 LYS 48 2HD LYS 48 -3.280 -3.454 -12.205 319 HE2 LYS 48 1HE LYS 48 -6.209 -3.311 -11.509 320 HE3 LYS 48 2HE LYS 48 -5.404 -2.194 -12.610 321 HZ1 LYS 48 1HZ LYS 48 -5.101 -3.821 -14.183 322 HZ2 LYS 48 2HZ LYS 48 -6.598 -4.274 -13.540 323 HZ3 LYS 48 3HZ LYS 48 -5.194 -5.092 -13.070 324 H GLN 49 H GLN 49 -5.683 -5.182 -6.689 325 HA GLN 49 HA GLN 49 -6.769 -2.755 -5.438 326 HB2 GLN 49 1HB GLN 49 -8.994 -3.861 -5.340 327 HB3 GLN 49 2HB GLN 49 -8.465 -3.501 -6.978 328 HG2 GLN 49 1HG GLN 49 -7.586 -5.943 -6.951 329 HG3 GLN 49 2HG GLN 49 -8.707 -6.138 -5.605 330 HE21 GLN 49 1HE2 GLN 49 -10.954 -5.655 -5.993 331 HE22 GLN 49 2HE2 GLN 49 -11.615 -5.878 -7.573 332 H TYR 50 H TYR 50 -5.363 -3.109 -3.683 333 HA TYR 50 HA TYR 50 -5.599 -5.595 -2.194 334 HB2 TYR 50 1HB TYR 50 -3.378 -4.694 -2.376 335 HB3 TYR 50 2HB TYR 50 -3.909 -3.125 -1.782 336 HD1 TYR 50 2HD TYR 50 -4.629 -2.911 0.618 337 HD2 TYR 50 1HD TYR 50 -2.729 -6.410 -0.883 338 HE1 TYR 50 2HE TYR 50 -4.075 -3.589 2.916 339 HE2 TYR 50 1HE TYR 50 -2.171 -7.099 1.411 340 HH TYR 50 HH TYR 50 -3.110 -6.655 3.745 341 H LYS 51 H LYS 51 -6.303 -5.728 -0.040 342 HA LYS 51 HA LYS 51 -8.340 -3.755 0.641 343 HB2 LYS 51 1HB LYS 51 -8.973 -6.118 0.674 344 HB3 LYS 51 2HB LYS 51 -7.711 -6.455 1.851 345 HG2 LYS 51 1HG LYS 51 -8.835 -5.075 3.495 346 HG3 LYS 51 2HG LYS 51 -10.073 -4.644 2.313 347 HD2 LYS 51 1HD LYS 51 -9.512 -7.491 3.109 348 HD3 LYS 51 2HD LYS 51 -10.670 -6.475 3.970 349 HE2 LYS 51 1HE LYS 51 -11.601 -6.060 1.544 350 HE3 LYS 51 2HE LYS 51 -10.797 -7.592 1.210 351 HZ1 LYS 51 1HZ LYS 51 -13.278 -7.187 2.410 352 HZ2 LYS 51 2HZ LYS 51 -12.258 -7.829 3.597 353 HZ3 LYS 51 3HZ LYS 51 -12.483 -8.656 2.138 354 H CYS 52 H CYS 52 -7.217 -2.026 1.477 355 HA CYS 52 HA CYS 52 -5.041 -1.860 3.049 356 HB2 CYS 52 1HB CYS 52 -5.758 0.240 3.738 357 HB3 CYS 52 2HB CYS 52 -6.724 -0.018 2.289 358 HA PRO 53 HA PRO 53 -5.669 -3.899 6.883 359 HB2 PRO 53 1HB PRO 53 -4.249 -2.315 8.570 360 HB3 PRO 53 2HB PRO 53 -3.488 -3.381 7.383 361 HG2 PRO 53 1HG PRO 53 -4.012 -0.438 7.224 362 HG3 PRO 53 2HG PRO 53 -2.563 -1.343 6.750 363 HD2 PRO 53 1HD PRO 53 -4.411 -0.508 4.955 364 HD3 PRO 53 2HD PRO 53 -3.480 -2.004 4.741 365 H SER 54 H SER 54 -6.862 -0.768 6.327 366 HA SER 54 HA SER 54 -8.042 -0.417 8.947 367 HB2 SER 54 1HB SER 54 -7.234 1.470 7.416 368 HB3 SER 54 2HB SER 54 -8.694 1.180 6.471 369 HG SER 54 HG SER 54 -9.462 1.327 8.971 370 H CYS 55 H CYS 55 -8.926 -1.728 5.866 371 HA CYS 55 HA CYS 55 -11.760 -1.808 6.559 372 HB2 CYS 55 1HB CYS 55 -10.236 -2.579 4.069 373 HB3 CYS 55 2HB CYS 55 -11.958 -2.881 4.269 374 H SER 56 H SER 56 -9.208 -4.105 5.601 375 HA SER 56 HA SER 56 -10.577 -6.468 5.960 376 HB2 SER 56 1HB SER 56 -8.519 -7.539 5.900 377 HB3 SER 56 2HB SER 56 -8.116 -5.983 5.174 378 HG SER 56 HG SER 56 -7.558 -5.359 7.424 379 H ASN 57 H ASN 57 -9.437 -4.249 8.350 380 HA ASN 57 HA ASN 57 -9.281 -5.942 10.581 381 HB2 ASN 57 1HB ASN 57 -8.650 -3.404 10.259 382 HB3 ASN 57 2HB ASN 57 -10.280 -3.136 10.867 383 HD21 ASN 57 1HD2 ASN 57 -7.075 -4.130 11.619 384 HD22 ASN 57 2HD2 ASN 57 -7.289 -4.277 13.327 385 H LYS 58 H LYS 58 -11.969 -3.824 9.572 386 HA LYS 58 HA LYS 58 -13.804 -4.758 11.484 387 HB2 LYS 58 1HB LYS 58 -15.464 -3.569 10.276 388 HB3 LYS 58 2HB LYS 58 -13.977 -2.647 10.099 389 HG2 LYS 58 1HG LYS 58 -13.769 -3.140 7.874 390 HG3 LYS 58 2HG LYS 58 -14.676 -4.649 8.011 391 HD2 LYS 58 1HD LYS 58 -16.749 -3.457 8.199 392 HD3 LYS 58 2HD LYS 58 -15.905 -1.910 8.303 393 HE2 LYS 58 1HE LYS 58 -15.118 -2.146 6.030 394 HE3 LYS 58 2HE LYS 58 -15.826 -3.757 5.920 395 HZ1 LYS 58 1HZ LYS 58 -17.105 -1.153 5.748 396 HZ2 LYS 58 2HZ LYS 58 -17.964 -2.340 6.592 397 HZ3 LYS 58 3HZ LYS 58 -17.506 -2.609 4.986 398 H SER 59 H SER 59 -15.801 -5.979 11.041 399 HA SER 59 HA SER 59 -15.228 -8.266 9.282 400 HB2 SER 59 1HB SER 59 -15.667 -8.435 11.888 401 HB3 SER 59 2HB SER 59 -17.355 -8.373 11.381 402 HG SER 59 HG SER 59 -17.123 -10.415 10.982 403 H GLY 60 H GLY 60 -18.095 -6.554 10.554 404 HA2 GLY 60 1HA GLY 60 -19.157 -5.825 8.077 405 HA3 GLY 60 2HA GLY 60 -19.810 -7.407 8.476 406 HA PRO 61 HA PRO 61 -23.012 -5.265 10.613 407 HB2 PRO 61 1HB PRO 61 -24.013 -7.369 12.006 408 HB3 PRO 61 2HB PRO 61 -24.282 -7.149 10.273 409 HG2 PRO 61 1HG PRO 61 -22.298 -8.898 11.676 410 HG3 PRO 61 2HG PRO 61 -23.314 -9.263 10.269 411 HD2 PRO 61 1HD PRO 61 -20.698 -8.599 10.045 412 HD3 PRO 61 2HD PRO 61 -21.900 -8.176 8.808 413 H SER 62 H SER 62 -21.500 -4.001 11.897 414 HA SER 62 HA SER 62 -20.754 -5.096 14.493 415 HB2 SER 62 1HB SER 62 -19.999 -2.667 12.922 416 HB3 SER 62 2HB SER 62 -19.800 -2.634 14.674 417 HG SER 62 HG SER 62 -18.771 -4.697 13.025 418 H SER 63 H SER 63 -22.532 -2.280 13.230 419 HA SER 63 HA SER 63 -23.442 -1.263 15.645 420 HB2 SER 63 1HB SER 63 -23.659 -0.135 13.429 421 HB3 SER 63 2HB SER 63 -24.964 -1.252 13.027 422 HG SER 63 HG SER 63 -24.910 0.819 14.925 423 H GLY 64 H GLY 64 -24.806 -1.984 17.140 424 HA2 GLY 64 1HA GLY 64 -26.509 -3.148 18.153 425 HA3 GLY 64 2HA GLY 64 -27.208 -3.374 16.557 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -17.446 16.835 11.230 2 HA2 GLY 1 1HA GLY 1 -19.237 17.011 9.781 3 HA3 GLY 1 2HA GLY 1 -18.380 18.298 8.944 4 H SER 2 H SER 2 -18.923 17.513 6.904 5 HA SER 2 HA SER 2 -18.626 14.885 6.017 6 HB2 SER 2 1HB SER 2 -18.444 17.491 4.491 7 HB3 SER 2 2HB SER 2 -18.509 15.905 3.723 8 HG SER 2 HG SER 2 -20.579 15.911 4.016 9 H SER 3 H SER 3 -17.014 13.909 4.687 10 HA SER 3 HA SER 3 -14.326 14.630 5.515 11 HB2 SER 3 1HB SER 3 -15.275 12.288 3.846 12 HB3 SER 3 2HB SER 3 -13.665 12.487 4.536 13 HG SER 3 HG SER 3 -15.957 12.528 6.176 14 H GLY 4 H GLY 4 -13.689 16.408 4.367 15 HA2 GLY 4 1HA GLY 4 -14.144 16.677 1.551 16 HA3 GLY 4 2HA GLY 4 -13.129 17.711 2.547 17 H SER 5 H SER 5 -10.948 17.385 2.604 18 HA SER 5 HA SER 5 -9.659 15.015 1.754 19 HB2 SER 5 1HB SER 5 -8.837 15.605 -0.392 20 HB3 SER 5 2HB SER 5 -10.563 15.964 -0.441 21 HG SER 5 HG SER 5 -9.377 18.135 0.438 22 H SER 6 H SER 6 -7.920 15.037 2.999 23 HA SER 6 HA SER 6 -6.424 17.557 3.291 24 HB2 SER 6 1HB SER 6 -7.749 16.909 5.349 25 HB3 SER 6 2HB SER 6 -6.716 15.485 5.474 26 HG SER 6 HG SER 6 -5.731 18.143 5.387 27 H GLY 7 H GLY 7 -6.217 14.021 3.678 28 HA2 GLY 7 1HA GLY 7 -4.582 12.731 2.488 29 HA3 GLY 7 2HA GLY 7 -3.538 14.144 2.466 30 H GLN 8 H GLN 8 -4.995 11.762 4.653 31 HA GLN 8 HA GLN 8 -2.512 11.802 6.211 32 HB2 GLN 8 1HB GLN 8 -5.278 12.320 7.198 33 HB3 GLN 8 2HB GLN 8 -4.184 11.410 8.232 34 HG2 GLN 8 1HG GLN 8 -2.554 13.402 7.699 35 HG3 GLN 8 2HG GLN 8 -4.064 14.251 7.372 36 HE21 GLN 8 1HE2 GLN 8 -2.606 12.124 9.809 37 HE22 GLN 8 2HE2 GLN 8 -3.268 12.950 11.174 38 H CYS 9 H CYS 9 -1.700 9.823 6.119 39 HA CYS 9 HA CYS 9 -3.222 7.539 5.396 40 HB2 CYS 9 1HB CYS 9 -0.978 7.417 4.760 41 HB3 CYS 9 2HB CYS 9 -0.403 7.985 6.324 42 H GLY 10 H GLY 10 -4.790 6.885 6.759 43 HA2 GLY 10 1HA GLY 10 -5.112 7.131 9.416 44 HA3 GLY 10 2HA GLY 10 -5.596 5.672 8.564 45 H ALA 11 H ALA 11 -2.943 4.821 7.874 46 HA ALA 11 HA ALA 11 -2.320 3.222 10.057 47 HB1 ALA 11 1HB ALA 11 -1.552 3.212 7.509 48 HB2 ALA 11 2HB ALA 11 -0.108 3.934 8.220 49 HB3 ALA 11 3HB ALA 11 -0.665 2.353 8.769 50 H CYS 12 H CYS 12 -0.489 6.061 8.899 51 HA CYS 12 HA CYS 12 0.458 6.448 11.663 52 HB2 CYS 12 1HB CYS 12 2.571 7.282 10.775 53 HB3 CYS 12 2HB CYS 12 2.269 5.650 10.189 54 H GLY 13 H GLY 13 -0.239 8.046 8.569 55 HA2 GLY 13 1HA GLY 13 -1.345 10.053 8.213 56 HA3 GLY 13 2HA GLY 13 -1.465 10.260 9.954 57 H GLU 14 H GLU 14 0.897 10.365 7.298 58 HA GLU 14 HA GLU 14 2.457 12.321 8.830 59 HB2 GLU 14 1HB GLU 14 3.104 10.548 6.489 60 HB3 GLU 14 2HB GLU 14 4.119 11.927 6.891 61 HG2 GLU 14 1HG GLU 14 4.172 10.887 9.259 62 HG3 GLU 14 2HG GLU 14 3.642 9.419 8.439 63 H SER 15 H SER 15 3.608 13.954 7.255 64 HA SER 15 HA SER 15 1.514 15.562 6.144 65 HB2 SER 15 1HB SER 15 3.783 16.251 7.321 66 HB3 SER 15 2HB SER 15 4.397 16.194 5.669 67 HG SER 15 HG SER 15 3.627 18.267 6.171 68 H TYR 16 H TYR 16 1.588 16.474 3.958 69 HA TYR 16 HA TYR 16 1.346 14.669 1.952 70 HB2 TYR 16 1HB TYR 16 0.766 17.106 1.835 71 HB3 TYR 16 2HB TYR 16 2.467 17.447 1.538 72 HD1 TYR 16 1HD TYR 16 -0.121 15.094 0.199 73 HD2 TYR 16 2HD TYR 16 3.003 17.852 -0.660 74 HE1 TYR 16 1HE TYR 16 -0.478 14.739 -2.209 75 HE2 TYR 16 2HE TYR 16 2.654 17.506 -3.070 76 HH TYR 16 HH TYR 16 0.966 16.741 -4.595 77 H ALA 17 H ALA 17 2.626 13.476 0.680 78 HA ALA 17 HA ALA 17 5.516 14.043 0.678 79 HB1 ALA 17 1HB ALA 17 4.154 11.389 1.065 80 HB2 ALA 17 2HB ALA 17 5.851 11.541 0.606 81 HB3 ALA 17 3HB ALA 17 5.291 12.201 2.142 82 H ALA 18 H ALA 18 6.654 13.449 -1.207 83 HA ALA 18 HA ALA 18 4.926 13.075 -3.564 84 HB1 ALA 18 1HB ALA 18 7.684 14.277 -3.577 85 HB2 ALA 18 2HB ALA 18 6.464 14.331 -4.850 86 HB3 ALA 18 3HB ALA 18 6.218 15.233 -3.354 87 H ASP 19 H ASP 19 8.146 12.284 -2.272 88 HA ASP 19 HA ASP 19 8.692 10.316 -4.261 89 HB2 ASP 19 1HB ASP 19 10.551 9.661 -2.662 90 HB3 ASP 19 2HB ASP 19 10.572 11.332 -3.219 91 H GLU 20 H GLU 20 7.723 10.129 -0.843 92 HA GLU 20 HA GLU 20 7.708 7.450 -0.399 93 HB2 GLU 20 1HB GLU 20 5.665 9.507 0.434 94 HB3 GLU 20 2HB GLU 20 5.657 7.856 1.038 95 HG2 GLU 20 1HG GLU 20 8.152 8.415 1.644 96 HG3 GLU 20 2HG GLU 20 7.555 10.073 1.593 97 H PHE 21 H PHE 21 6.296 5.724 -0.713 98 HA PHE 21 HA PHE 21 4.521 6.036 -3.029 99 HB2 PHE 21 1HB PHE 21 5.925 4.312 -3.607 100 HB3 PHE 21 2HB PHE 21 6.146 3.792 -1.940 101 HD1 PHE 21 1HD PHE 21 3.162 4.188 -4.146 102 HD2 PHE 21 2HD PHE 21 5.478 1.619 -1.666 103 HE1 PHE 21 1HE PHE 21 1.530 2.381 -4.500 104 HE2 PHE 21 2HE PHE 21 3.851 -0.193 -2.016 105 HZ PHE 21 HZ PHE 21 1.874 0.186 -3.435 106 H TRP 22 H TRP 22 2.414 6.140 -2.679 107 HA TRP 22 HA TRP 22 1.338 5.089 -0.158 108 HB2 TRP 22 1HB TRP 22 0.036 6.970 -2.138 109 HB3 TRP 22 2HB TRP 22 -0.579 6.536 -0.545 110 HD1 TRP 22 HD TRP 22 2.737 8.079 -1.884 111 HE1 TRP 22 1HE TRP 22 3.398 10.001 -0.304 112 HE3 TRP 22 3HE TRP 22 -1.113 7.740 1.462 113 HZ2 TRP 22 2HZ TRP 22 2.418 11.212 2.050 114 HZ3 TRP 22 3HZ TRP 22 -1.177 9.317 3.350 115 HH2 TRP 22 HH TRP 22 0.553 11.016 3.636 116 H ILE 23 H ILE 23 -0.648 3.897 -0.162 117 HA ILE 23 HA ILE 23 -0.970 2.289 -2.600 118 HB ILE 23 HB ILE 23 -1.721 0.502 -1.298 119 HG12 ILE 23 1HG1 ILE 23 -2.037 1.023 1.297 120 HG13 ILE 23 2HG1 ILE 23 -2.412 2.627 0.676 121 HG21 ILE 23 1HG2 ILE 23 -0.050 0.884 0.869 122 HG22 ILE 23 2HG2 ILE 23 0.405 0.211 -0.696 123 HG23 ILE 23 3HG2 ILE 23 0.630 1.931 -0.377 124 HD11 ILE 23 1HD1 ILE 23 -4.176 0.551 0.958 125 HD12 ILE 23 2HD1 ILE 23 -4.416 1.986 -0.040 126 HD13 ILE 23 3HD1 ILE 23 -3.784 0.506 -0.761 127 H CYS 24 H CYS 24 -3.116 1.636 -3.238 128 HA CYS 24 HA CYS 24 -5.195 3.557 -2.419 129 HB2 CYS 24 1HB CYS 24 -4.442 4.075 -4.672 130 HB3 CYS 24 2HB CYS 24 -4.680 2.403 -5.167 131 HG CYS 24 HG CYS 24 -6.836 4.900 -5.120 132 H CYS 25 H CYS 25 -6.802 2.599 -1.384 133 HA CYS 25 HA CYS 25 -7.243 -0.260 -1.698 134 HB2 CYS 25 1HB CYS 25 -7.197 0.541 0.568 135 HB3 CYS 25 2HB CYS 25 -8.391 1.784 0.208 136 H ASP 26 H ASP 26 -9.436 -1.108 -1.956 137 HA ASP 26 HA ASP 26 -10.903 0.452 -3.948 138 HB2 ASP 26 1HB ASP 26 -10.676 -2.454 -3.300 139 HB3 ASP 26 2HB ASP 26 -12.149 -1.883 -4.080 140 H LEU 27 H LEU 27 -11.377 -1.221 -0.874 141 HA LEU 27 HA LEU 27 -14.166 -0.724 -0.695 142 HB2 LEU 27 1HB LEU 27 -12.048 -1.511 1.271 143 HB3 LEU 27 2HB LEU 27 -13.683 -1.135 1.810 144 HG LEU 27 HG LEU 27 -13.339 -3.160 -0.344 145 HD11 LEU 27 1HD1 LEU 27 -13.261 -4.806 1.715 146 HD12 LEU 27 2HD1 LEU 27 -12.420 -3.451 2.467 147 HD13 LEU 27 3HD1 LEU 27 -11.786 -4.170 0.987 148 HD21 LEU 27 1HD2 LEU 27 -15.529 -2.229 0.701 149 HD22 LEU 27 2HD2 LEU 27 -15.141 -3.315 2.036 150 HD23 LEU 27 3HD2 LEU 27 -15.369 -3.962 0.410 151 H CYS 28 H CYS 28 -11.539 0.670 1.279 152 HA CYS 28 HA CYS 28 -13.199 2.932 1.967 153 HB2 CYS 28 1HB CYS 28 -10.299 2.909 2.628 154 HB3 CYS 28 2HB CYS 28 -11.676 3.374 3.622 155 H GLU 29 H GLU 29 -10.172 2.409 0.179 156 HA GLU 29 HA GLU 29 -9.245 3.566 -1.557 157 HB2 GLU 29 1HB GLU 29 -11.838 3.922 -2.043 158 HB3 GLU 29 2HB GLU 29 -11.437 5.582 -1.627 159 HG2 GLU 29 1HG GLU 29 -9.515 5.282 -3.337 160 HG3 GLU 29 2HG GLU 29 -10.479 3.925 -3.916 161 H MET 30 H MET 30 -8.476 4.130 1.027 162 HA MET 30 HA MET 30 -8.330 7.033 1.267 163 HB2 MET 30 1HB MET 30 -7.496 4.769 3.075 164 HB3 MET 30 2HB MET 30 -7.074 6.444 3.408 165 HG2 MET 30 1HG MET 30 -9.408 7.045 3.540 166 HG3 MET 30 2HG MET 30 -9.881 5.408 3.092 167 HE1 MET 30 1HE MET 30 -7.800 6.508 7.061 168 HE2 MET 30 2HE MET 30 -7.026 6.639 5.482 169 HE3 MET 30 3HE MET 30 -8.365 7.709 5.900 170 H TRP 31 H TRP 31 -5.959 7.577 2.322 171 HA TRP 31 HA TRP 31 -4.038 6.731 0.254 172 HB2 TRP 31 1HB TRP 31 -4.244 9.358 1.740 173 HB3 TRP 31 2HB TRP 31 -2.920 8.929 0.660 174 HD1 TRP 31 HD TRP 31 -6.259 10.529 0.657 175 HE1 TRP 31 1HE TRP 31 -7.049 10.954 -1.755 176 HE3 TRP 31 3HE TRP 31 -2.820 7.685 -1.838 177 HZ2 TRP 31 2HZ TRP 31 -6.313 10.184 -4.370 178 HZ3 TRP 31 3HZ TRP 31 -2.933 7.582 -4.293 179 HH2 TRP 31 HH TRP 31 -4.644 8.806 -5.531 180 H PHE 32 H PHE 32 -3.145 5.011 1.372 181 HA PHE 32 HA PHE 32 -1.907 5.599 3.969 182 HB2 PHE 32 1HB PHE 32 -2.276 2.908 2.639 183 HB3 PHE 32 2HB PHE 32 -1.762 3.204 4.296 184 HD1 PHE 32 1HD PHE 32 -3.604 5.135 5.318 185 HD2 PHE 32 2HD PHE 32 -4.332 1.890 2.661 186 HE1 PHE 32 1HE PHE 32 -5.949 5.057 6.060 187 HE2 PHE 32 2HE PHE 32 -6.678 1.808 3.398 188 HZ PHE 32 HZ PHE 32 -7.489 3.393 5.099 189 H HIS 33 H HIS 33 0.134 3.904 4.140 190 HA HIS 33 HA HIS 33 1.926 4.735 1.954 191 HB2 HIS 33 1HB HIS 33 2.445 4.285 4.891 192 HB3 HIS 33 2HB HIS 33 3.748 4.383 3.709 193 HD2 HIS 33 2HD HIS 33 3.343 6.985 2.119 194 HE1 HIS 33 1HE HIS 33 2.239 8.920 5.730 195 HE2 HIS 33 2HE HIS 33 2.910 9.233 3.323 196 H GLY 34 H GLY 34 3.043 3.231 0.844 197 HA2 GLY 34 1HA GLY 34 2.326 0.649 0.566 198 HA3 GLY 34 2HA GLY 34 3.983 1.180 0.316 199 H LYS 35 H LYS 35 5.135 1.544 2.577 200 HA LYS 35 HA LYS 35 5.545 -0.973 3.689 201 HB2 LYS 35 1HB LYS 35 6.858 0.152 5.396 202 HB3 LYS 35 2HB LYS 35 7.161 0.887 3.828 203 HG2 LYS 35 1HG LYS 35 5.559 2.687 4.423 204 HG3 LYS 35 2HG LYS 35 5.431 1.979 6.035 205 HD2 LYS 35 1HD LYS 35 7.816 2.319 6.391 206 HD3 LYS 35 2HD LYS 35 7.981 2.972 4.760 207 HE2 LYS 35 1HE LYS 35 6.429 4.792 5.366 208 HE3 LYS 35 2HE LYS 35 6.349 4.153 7.007 209 HZ1 LYS 35 1HZ LYS 35 8.042 5.532 7.394 210 HZ2 LYS 35 2HZ LYS 35 8.398 5.737 5.754 211 HZ3 LYS 35 3HZ LYS 35 9.005 4.398 6.590 212 H CYS 36 H CYS 36 3.552 1.717 4.851 213 HA CYS 36 HA CYS 36 2.795 0.697 7.314 214 HB2 CYS 36 1HB CYS 36 1.489 2.547 5.355 215 HB3 CYS 36 2HB CYS 36 0.585 2.011 6.767 216 H VAL 37 H VAL 37 1.182 0.272 4.170 217 HA VAL 37 HA VAL 37 -0.740 -1.577 5.250 218 HB VAL 37 HB VAL 37 -1.072 -0.012 3.238 219 HG11 VAL 37 1HG1 VAL 37 0.901 -0.589 1.980 220 HG12 VAL 37 2HG1 VAL 37 0.400 -2.279 1.902 221 HG13 VAL 37 3HG1 VAL 37 -0.529 -1.043 1.054 222 HG21 VAL 37 1HG2 VAL 37 -2.222 -2.214 2.059 223 HG22 VAL 37 2HG2 VAL 37 -2.040 -2.715 3.740 224 HG23 VAL 37 3HG2 VAL 37 -2.934 -1.246 3.349 225 H LYS 38 H LYS 38 2.368 -2.012 5.017 226 HA LYS 38 HA LYS 38 3.764 -3.796 4.819 227 HB2 LYS 38 1HB LYS 38 1.093 -5.091 5.165 228 HB3 LYS 38 2HB LYS 38 2.469 -6.097 4.732 229 HG2 LYS 38 1HG LYS 38 2.774 -4.214 7.008 230 HG3 LYS 38 2HG LYS 38 1.798 -5.666 7.243 231 HD2 LYS 38 1HD LYS 38 4.551 -5.802 6.053 232 HD3 LYS 38 2HD LYS 38 4.302 -5.789 7.801 233 HE2 LYS 38 1HE LYS 38 2.764 -7.744 7.502 234 HE3 LYS 38 2HE LYS 38 3.266 -7.804 5.813 235 HZ1 LYS 38 1HZ LYS 38 4.527 -8.960 7.999 236 HZ2 LYS 38 2HZ LYS 38 5.541 -7.712 7.475 237 HZ3 LYS 38 3HZ LYS 38 5.067 -8.925 6.396 238 H ILE 39 H ILE 39 3.457 -2.501 2.503 239 HA ILE 39 HA ILE 39 3.609 -4.668 0.545 240 HB ILE 39 HB ILE 39 1.826 -2.261 0.317 241 HG12 ILE 39 1HG1 ILE 39 1.365 -5.162 -0.399 242 HG13 ILE 39 2HG1 ILE 39 0.957 -4.461 1.163 243 HG21 ILE 39 1HG2 ILE 39 2.884 -3.940 -1.953 244 HG22 ILE 39 2HG2 ILE 39 1.594 -2.746 -2.081 245 HG23 ILE 39 3HG2 ILE 39 3.229 -2.236 -1.662 246 HD11 ILE 39 1HD1 ILE 39 -0.953 -4.662 -0.406 247 HD12 ILE 39 2HD1 ILE 39 -0.660 -3.018 0.164 248 HD13 ILE 39 3HD1 ILE 39 -0.153 -3.493 -1.457 249 H THR 40 H THR 40 5.539 -4.536 -0.368 250 HA THR 40 HA THR 40 7.211 -2.259 -0.180 251 HB THR 40 HB THR 40 8.596 -3.551 -1.941 252 HG1 THR 40 1HG THR 40 7.928 -5.568 -2.425 253 HG21 THR 40 1HG2 THR 40 9.516 -4.971 -0.265 254 HG22 THR 40 2HG2 THR 40 7.995 -5.010 0.628 255 HG23 THR 40 3HG2 THR 40 8.939 -3.522 0.558 256 HA PRO 41 HA PRO 41 6.176 0.125 -3.719 257 HB2 PRO 41 1HB PRO 41 8.612 1.047 -4.486 258 HB3 PRO 41 2HB PRO 41 7.778 1.625 -3.038 259 HG2 PRO 41 1HG PRO 41 9.967 -0.403 -3.281 260 HG3 PRO 41 2HG PRO 41 9.776 0.900 -2.093 261 HD2 PRO 41 1HD PRO 41 9.147 -1.676 -1.544 262 HD3 PRO 41 2HD PRO 41 8.277 -0.306 -0.825 263 H ALA 42 H ALA 42 8.246 -2.595 -3.986 264 HA ALA 42 HA ALA 42 8.375 -2.458 -6.897 265 HB1 ALA 42 1HB ALA 42 9.824 -4.389 -6.757 266 HB2 ALA 42 2HB ALA 42 10.366 -3.154 -5.621 267 HB3 ALA 42 3HB ALA 42 9.477 -4.560 -5.036 268 H ARG 43 H ARG 43 6.944 -4.440 -4.340 269 HA ARG 43 HA ARG 43 5.764 -6.337 -6.105 270 HB2 ARG 43 1HB ARG 43 6.158 -6.983 -3.831 271 HB3 ARG 43 2HB ARG 43 5.216 -5.628 -3.223 272 HG2 ARG 43 1HG ARG 43 3.273 -6.748 -4.552 273 HG3 ARG 43 2HG ARG 43 4.290 -8.185 -4.439 274 HD2 ARG 43 1HD ARG 43 4.392 -7.832 -1.973 275 HD3 ARG 43 2HD ARG 43 3.227 -6.523 -2.161 276 HE ARG 43 HE ARG 43 2.060 -8.691 -3.360 277 HH11 ARG 43 2HH1 ARG 43 3.318 -7.971 -0.195 278 HH12 ARG 43 1HH1 ARG 43 2.222 -9.033 0.625 279 HH21 ARG 43 2HH2 ARG 43 0.611 -10.093 -2.292 280 HH22 ARG 43 1HH2 ARG 43 0.684 -10.240 -0.569 281 H ALA 44 H ALA 44 4.642 -3.364 -4.574 282 HA ALA 44 HA ALA 44 1.974 -3.352 -4.912 283 HB1 ALA 44 1HB ALA 44 3.044 -1.412 -4.055 284 HB2 ALA 44 2HB ALA 44 3.904 -1.138 -5.570 285 HB3 ALA 44 3HB ALA 44 2.156 -0.916 -5.496 286 H GLU 45 H GLU 45 4.353 -3.127 -7.493 287 HA GLU 45 HA GLU 45 2.789 -2.342 -9.621 288 HB2 GLU 45 1HB GLU 45 4.934 -4.469 -9.711 289 HB3 GLU 45 2HB GLU 45 4.370 -3.496 -11.062 290 HG2 GLU 45 1HG GLU 45 5.310 -1.520 -10.139 291 HG3 GLU 45 2HG GLU 45 5.658 -2.327 -8.612 292 H HIS 46 H HIS 46 3.223 -5.619 -8.330 293 HA HIS 46 HA HIS 46 1.494 -6.852 -10.229 294 HB2 HIS 46 1HB HIS 46 2.398 -7.843 -7.517 295 HB3 HIS 46 2HB HIS 46 1.640 -8.824 -8.768 296 HD1 HIS 46 1HD HIS 46 3.102 -9.566 -10.739 297 HD2 HIS 46 2HD HIS 46 5.092 -7.165 -7.994 298 HE1 HIS 46 1HE HIS 46 5.539 -9.739 -11.337 299 HE2 HIS 46 2HE HIS 46 6.731 -8.346 -9.610 300 H ILE 47 H ILE 47 1.071 -5.547 -6.987 301 HA ILE 47 HA ILE 47 -1.557 -6.528 -6.580 302 HB ILE 47 HB ILE 47 -0.150 -4.163 -5.337 303 HG12 ILE 47 1HG1 ILE 47 -0.675 -6.919 -4.210 304 HG13 ILE 47 2HG1 ILE 47 0.842 -6.441 -4.964 305 HG21 ILE 47 1HG2 ILE 47 -2.669 -4.086 -5.276 306 HG22 ILE 47 2HG2 ILE 47 -2.608 -5.552 -4.300 307 HG23 ILE 47 3HG2 ILE 47 -1.866 -4.067 -3.706 308 HD11 ILE 47 1HD1 ILE 47 0.936 -4.589 -3.232 309 HD12 ILE 47 2HD1 ILE 47 -0.360 -5.453 -2.405 310 HD13 ILE 47 3HD1 ILE 47 1.198 -6.238 -2.664 311 H LYS 48 H LYS 48 -3.543 -5.565 -6.874 312 HA LYS 48 HA LYS 48 -3.580 -3.076 -8.448 313 HB2 LYS 48 1HB LYS 48 -4.014 -5.078 -9.865 314 HB3 LYS 48 2HB LYS 48 -5.406 -5.451 -8.856 315 HG2 LYS 48 1HG LYS 48 -6.223 -4.373 -10.795 316 HG3 LYS 48 2HG LYS 48 -6.336 -3.206 -9.476 317 HD2 LYS 48 1HD LYS 48 -4.565 -1.935 -10.280 318 HD3 LYS 48 2HD LYS 48 -3.917 -3.268 -11.240 319 HE2 LYS 48 1HE LYS 48 -6.238 -3.037 -12.478 320 HE3 LYS 48 2HE LYS 48 -6.154 -1.397 -11.838 321 HZ1 LYS 48 1HZ LYS 48 -3.861 -2.551 -13.286 322 HZ2 LYS 48 2HZ LYS 48 -4.270 -0.925 -13.064 323 HZ3 LYS 48 3HZ LYS 48 -5.159 -1.882 -14.140 324 H GLN 49 H GLN 49 -5.558 -5.278 -6.473 325 HA GLN 49 HA GLN 49 -6.819 -2.917 -5.263 326 HB2 GLN 49 1HB GLN 49 -8.973 -4.211 -5.195 327 HB3 GLN 49 2HB GLN 49 -8.463 -3.707 -6.801 328 HG2 GLN 49 1HG GLN 49 -7.463 -6.016 -7.059 329 HG3 GLN 49 2HG GLN 49 -8.337 -6.450 -5.591 330 HE21 GLN 49 1HE2 GLN 49 -10.578 -6.569 -5.634 331 HE22 GLN 49 2HE2 GLN 49 -11.469 -6.639 -7.112 332 H TYR 50 H TYR 50 -5.244 -3.330 -3.578 333 HA TYR 50 HA TYR 50 -5.476 -5.781 -2.059 334 HB2 TYR 50 1HB TYR 50 -3.281 -4.804 -2.244 335 HB3 TYR 50 2HB TYR 50 -3.860 -3.263 -1.622 336 HD1 TYR 50 1HD TYR 50 -2.885 -6.684 -0.753 337 HD2 TYR 50 2HD TYR 50 -4.273 -2.954 0.751 338 HE1 TYR 50 1HE TYR 50 -2.302 -7.394 1.529 339 HE2 TYR 50 2HE TYR 50 -3.693 -3.653 3.037 340 HH TYR 50 HH TYR 50 -3.418 -6.315 4.132 341 H LYS 51 H LYS 51 -6.155 -5.921 0.112 342 HA LYS 51 HA LYS 51 -8.247 -4.000 0.788 343 HB2 LYS 51 1HB LYS 51 -8.761 -6.428 0.778 344 HB3 LYS 51 2HB LYS 51 -7.587 -6.659 2.067 345 HG2 LYS 51 1HG LYS 51 -8.903 -5.306 3.567 346 HG3 LYS 51 2HG LYS 51 -10.041 -4.926 2.272 347 HD2 LYS 51 1HD LYS 51 -9.535 -7.790 2.883 348 HD3 LYS 51 2HD LYS 51 -10.501 -6.860 4.031 349 HE2 LYS 51 1HE LYS 51 -12.096 -6.302 2.349 350 HE3 LYS 51 2HE LYS 51 -11.066 -6.951 1.074 351 HZ1 LYS 51 1HZ LYS 51 -11.467 -9.133 1.772 352 HZ2 LYS 51 2HZ LYS 51 -12.983 -8.387 1.839 353 HZ3 LYS 51 3HZ LYS 51 -12.107 -8.649 3.262 354 H CYS 52 H CYS 52 -7.199 -2.258 1.671 355 HA CYS 52 HA CYS 52 -5.015 -2.120 3.278 356 HB2 CYS 52 1HB CYS 52 -5.730 0.002 3.958 357 HB3 CYS 52 2HB CYS 52 -6.565 -0.236 2.426 358 HA PRO 53 HA PRO 53 -5.831 -4.080 7.119 359 HB2 PRO 53 1HB PRO 53 -4.412 -2.515 8.824 360 HB3 PRO 53 2HB PRO 53 -3.650 -3.625 7.680 361 HG2 PRO 53 1HG PRO 53 -4.071 -0.670 7.457 362 HG3 PRO 53 2HG PRO 53 -2.639 -1.630 7.043 363 HD2 PRO 53 1HD PRO 53 -4.402 -0.765 5.178 364 HD3 PRO 53 2HD PRO 53 -3.515 -2.295 5.017 365 H SER 54 H SER 54 -7.056 -1.058 6.379 366 HA SER 54 HA SER 54 -8.196 -0.478 8.975 367 HB2 SER 54 1HB SER 54 -7.474 1.207 7.098 368 HB3 SER 54 2HB SER 54 -9.077 0.872 6.445 369 HG SER 54 HG SER 54 -9.882 1.441 8.579 370 H CYS 55 H CYS 55 -9.231 -1.817 5.892 371 HA CYS 55 HA CYS 55 -11.980 -2.073 6.818 372 HB2 CYS 55 1HB CYS 55 -12.241 -3.177 4.505 373 HB3 CYS 55 2HB CYS 55 -11.900 -1.450 4.558 374 H SER 56 H SER 56 -9.356 -4.200 5.700 375 HA SER 56 HA SER 56 -10.560 -6.651 6.016 376 HB2 SER 56 1HB SER 56 -8.458 -7.566 5.829 377 HB3 SER 56 2HB SER 56 -8.109 -5.929 5.274 378 HG SER 56 HG SER 56 -7.558 -5.488 7.532 379 H ASN 57 H ASN 57 -9.521 -4.434 8.458 380 HA ASN 57 HA ASN 57 -9.512 -6.356 10.599 381 HB2 ASN 57 1HB ASN 57 -9.083 -3.428 10.336 382 HB3 ASN 57 2HB ASN 57 -9.637 -4.010 11.903 383 HD21 ASN 57 1HD2 ASN 57 -7.496 -3.104 12.492 384 HD22 ASN 57 2HD2 ASN 57 -6.127 -4.153 12.395 385 H LYS 58 H LYS 58 -11.524 -3.463 10.032 386 HA LYS 58 HA LYS 58 -13.494 -3.965 11.882 387 HB2 LYS 58 1HB LYS 58 -14.833 -2.400 10.747 388 HB3 LYS 58 2HB LYS 58 -13.182 -1.923 10.370 389 HG2 LYS 58 1HG LYS 58 -13.343 -2.981 8.196 390 HG3 LYS 58 2HG LYS 58 -14.972 -3.548 8.573 391 HD2 LYS 58 1HD LYS 58 -15.510 -1.055 8.958 392 HD3 LYS 58 2HD LYS 58 -14.015 -0.749 8.071 393 HE2 LYS 58 1HE LYS 58 -14.906 -2.128 6.208 394 HE3 LYS 58 2HE LYS 58 -16.426 -2.272 7.088 395 HZ1 LYS 58 1HZ LYS 58 -17.005 -0.159 6.616 396 HZ2 LYS 58 2HZ LYS 58 -15.969 -0.380 5.297 397 HZ3 LYS 58 3HZ LYS 58 -15.419 0.427 6.678 398 H SER 59 H SER 59 -15.260 -5.242 12.029 399 HA SER 59 HA SER 59 -15.427 -7.611 10.569 400 HB2 SER 59 1HB SER 59 -17.703 -6.279 12.053 401 HB3 SER 59 2HB SER 59 -17.528 -7.998 11.700 402 HG SER 59 HG SER 59 -16.571 -8.070 13.565 403 H GLY 60 H GLY 60 -17.388 -4.652 10.293 404 HA2 GLY 60 1HA GLY 60 -17.872 -3.891 7.998 405 HA3 GLY 60 2HA GLY 60 -18.182 -5.574 7.599 406 HA PRO 61 HA PRO 61 -21.855 -3.783 10.258 407 HB2 PRO 61 1HB PRO 61 -22.213 -1.113 9.921 408 HB3 PRO 61 2HB PRO 61 -21.237 -1.794 11.228 409 HG2 PRO 61 1HG PRO 61 -20.356 -0.640 8.610 410 HG3 PRO 61 2HG PRO 61 -19.661 -0.409 10.225 411 HD2 PRO 61 1HD PRO 61 -18.598 -2.117 8.411 412 HD3 PRO 61 2HD PRO 61 -18.525 -2.414 10.160 413 H SER 62 H SER 62 -21.043 -2.015 7.273 414 HA SER 62 HA SER 62 -23.730 -2.653 6.251 415 HB2 SER 62 1HB SER 62 -23.396 -0.769 4.680 416 HB3 SER 62 2HB SER 62 -23.290 -0.252 6.363 417 HG SER 62 HG SER 62 -21.352 0.415 5.955 418 H SER 63 H SER 63 -23.575 -4.521 5.161 419 HA SER 63 HA SER 63 -21.449 -4.745 3.132 420 HB2 SER 63 1HB SER 63 -22.743 -6.940 4.765 421 HB3 SER 63 2HB SER 63 -21.648 -7.222 3.411 422 HG SER 63 HG SER 63 -19.993 -6.595 4.596 423 H GLY 64 H GLY 64 -24.689 -6.012 3.937 424 HA2 GLY 64 1HA GLY 64 -25.263 -6.429 1.121 425 HA3 GLY 64 2HA GLY 64 -26.312 -6.833 2.472 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -2.607 22.389 0.597 2 HA2 GLY 1 1HA GLY 1 -4.507 21.124 1.546 3 HA3 GLY 1 2HA GLY 1 -4.217 22.595 2.462 4 H SER 2 H SER 2 -6.495 20.803 0.783 5 HA SER 2 HA SER 2 -8.162 22.871 -0.213 6 HB2 SER 2 1HB SER 2 -8.888 20.043 0.592 7 HB3 SER 2 2HB SER 2 -9.884 21.122 -0.385 8 HG SER 2 HG SER 2 -7.358 20.017 -1.042 9 H SER 3 H SER 3 -8.928 24.407 1.091 10 HA SER 3 HA SER 3 -9.716 25.437 2.991 11 HB2 SER 3 1HB SER 3 -11.966 24.860 3.438 12 HB3 SER 3 2HB SER 3 -11.710 24.395 1.756 13 HG SER 3 HG SER 3 -12.422 22.861 3.838 14 H GLY 4 H GLY 4 -7.561 23.835 3.672 15 HA2 GLY 4 1HA GLY 4 -7.130 23.722 6.182 16 HA3 GLY 4 2HA GLY 4 -8.426 22.535 6.176 17 H SER 5 H SER 5 -7.714 20.525 6.294 18 HA SER 5 HA SER 5 -4.999 19.901 5.444 19 HB2 SER 5 1HB SER 5 -5.173 17.935 6.741 20 HB3 SER 5 2HB SER 5 -6.048 19.152 7.670 21 HG SER 5 HG SER 5 -6.948 16.835 6.716 22 H SER 6 H SER 6 -4.462 18.430 3.869 23 HA SER 6 HA SER 6 -6.475 17.980 1.840 24 HB2 SER 6 1HB SER 6 -4.147 18.714 1.284 25 HB3 SER 6 2HB SER 6 -3.566 17.142 1.833 26 HG SER 6 HG SER 6 -3.945 17.304 -0.468 27 H GLY 7 H GLY 7 -4.405 16.017 3.949 28 HA2 GLY 7 1HA GLY 7 -6.046 14.027 4.641 29 HA3 GLY 7 2HA GLY 7 -5.639 13.561 2.996 30 H GLN 8 H GLN 8 -4.864 13.050 6.131 31 HA GLN 8 HA GLN 8 -2.020 12.561 5.580 32 HB2 GLN 8 1HB GLN 8 -1.632 12.599 7.918 33 HB3 GLN 8 2HB GLN 8 -2.705 13.952 7.583 34 HG2 GLN 8 1HG GLN 8 -4.589 12.276 8.184 35 HG3 GLN 8 2HG GLN 8 -3.290 11.373 8.963 36 HE21 GLN 8 1HE2 GLN 8 -4.498 11.767 10.921 37 HE22 GLN 8 2HE2 GLN 8 -4.302 13.267 11.756 38 H CYS 9 H CYS 9 -1.071 10.553 6.136 39 HA CYS 9 HA CYS 9 -2.473 8.292 5.350 40 HB2 CYS 9 1HB CYS 9 -0.112 8.190 5.267 41 HB3 CYS 9 2HB CYS 9 0.048 8.633 6.964 42 H GLY 10 H GLY 10 -3.869 6.961 6.315 43 HA2 GLY 10 1HA GLY 10 -4.948 7.534 8.856 44 HA3 GLY 10 2HA GLY 10 -5.254 6.079 7.919 45 H ALA 11 H ALA 11 -2.724 4.975 7.796 46 HA ALA 11 HA ALA 11 -2.551 3.504 10.120 47 HB1 ALA 11 1HB ALA 11 -0.959 3.840 7.734 48 HB2 ALA 11 2HB ALA 11 0.052 3.543 9.148 49 HB3 ALA 11 3HB ALA 11 -1.222 2.401 8.720 50 H CYS 12 H CYS 12 -0.324 6.134 9.183 51 HA CYS 12 HA CYS 12 0.111 6.648 12.052 52 HB2 CYS 12 1HB CYS 12 2.419 7.165 11.617 53 HB3 CYS 12 2HB CYS 12 2.076 5.585 10.922 54 H GLY 13 H GLY 13 0.127 8.044 8.791 55 HA2 GLY 13 1HA GLY 13 -0.863 10.084 8.186 56 HA3 GLY 13 2HA GLY 13 -0.967 10.514 9.886 57 H GLU 14 H GLU 14 1.890 9.436 8.100 58 HA GLU 14 HA GLU 14 3.461 11.574 9.147 59 HB2 GLU 14 1HB GLU 14 3.922 9.283 7.301 60 HB3 GLU 14 2HB GLU 14 5.065 10.617 7.249 61 HG2 GLU 14 1HG GLU 14 4.323 9.256 9.815 62 HG3 GLU 14 2HG GLU 14 5.614 8.662 8.772 63 H SER 15 H SER 15 5.033 12.554 7.245 64 HA SER 15 HA SER 15 3.416 14.517 5.994 65 HB2 SER 15 1HB SER 15 6.325 13.866 6.054 66 HB3 SER 15 2HB SER 15 5.746 14.910 4.755 67 HG SER 15 HG SER 15 6.298 16.199 6.488 68 H TYR 16 H TYR 16 3.509 15.022 3.646 69 HA TYR 16 HA TYR 16 2.730 12.701 2.138 70 HB2 TYR 16 1HB TYR 16 1.703 15.063 2.025 71 HB3 TYR 16 2HB TYR 16 3.078 15.468 1.004 72 HD1 TYR 16 1HD TYR 16 0.278 13.024 1.290 73 HD2 TYR 16 2HD TYR 16 2.968 15.079 -1.287 74 HE1 TYR 16 1HE TYR 16 -0.917 12.125 -0.663 75 HE2 TYR 16 2HE TYR 16 1.780 14.187 -3.247 76 HH TYR 16 HH TYR 16 -1.063 13.158 -3.365 77 H ALA 17 H ALA 17 3.596 12.205 0.000 78 HA ALA 17 HA ALA 17 6.347 13.054 -0.488 79 HB1 ALA 17 1HB ALA 17 7.350 11.076 -0.134 80 HB2 ALA 17 2HB ALA 17 5.951 10.751 0.890 81 HB3 ALA 17 3HB ALA 17 5.986 10.155 -0.770 82 H ALA 18 H ALA 18 7.018 12.838 -2.630 83 HA ALA 18 HA ALA 18 4.862 12.186 -4.530 84 HB1 ALA 18 1HB ALA 18 5.407 13.972 -5.802 85 HB2 ALA 18 2HB ALA 18 6.039 14.581 -4.272 86 HB3 ALA 18 3HB ALA 18 7.129 13.841 -5.445 87 H ASP 19 H ASP 19 8.396 12.111 -4.125 88 HA ASP 19 HA ASP 19 8.727 10.293 -6.340 89 HB2 ASP 19 1HB ASP 19 10.654 11.382 -4.284 90 HB3 ASP 19 2HB ASP 19 11.129 10.268 -5.563 91 H GLU 20 H GLU 20 6.970 9.209 -4.503 92 HA GLU 20 HA GLU 20 8.366 6.764 -3.821 93 HB2 GLU 20 1HB GLU 20 7.058 8.511 -1.740 94 HB3 GLU 20 2HB GLU 20 7.346 6.795 -1.490 95 HG2 GLU 20 1HG GLU 20 9.457 8.865 -2.053 96 HG3 GLU 20 2HG GLU 20 9.087 8.168 -0.477 97 H PHE 21 H PHE 21 7.003 4.976 -3.616 98 HA PHE 21 HA PHE 21 4.563 5.138 -5.054 99 HB2 PHE 21 1HB PHE 21 5.690 3.095 -5.275 100 HB3 PHE 21 2HB PHE 21 5.959 2.949 -3.541 101 HD1 PHE 21 1HD PHE 21 3.155 3.104 -5.994 102 HD2 PHE 21 2HD PHE 21 4.650 1.483 -2.353 103 HE1 PHE 21 1HE PHE 21 1.155 1.682 -5.809 104 HE2 PHE 21 2HE PHE 21 2.654 0.058 -2.163 105 HZ PHE 21 HZ PHE 21 0.904 0.155 -3.893 106 H TRP 22 H TRP 22 2.445 4.526 -4.297 107 HA TRP 22 HA TRP 22 1.995 4.861 -1.420 108 HB2 TRP 22 1HB TRP 22 0.981 6.612 -3.608 109 HB3 TRP 22 2HB TRP 22 -0.113 6.251 -2.276 110 HD1 TRP 22 HD TRP 22 3.544 7.531 -2.647 111 HE1 TRP 22 1HE TRP 22 3.928 9.335 -0.851 112 HE3 TRP 22 3HE TRP 22 -1.017 7.367 -0.342 113 HZ2 TRP 22 2HZ TRP 22 2.488 10.530 1.262 114 HZ3 TRP 22 3HZ TRP 22 -1.432 8.873 1.559 115 HH2 TRP 22 HH TRP 22 0.285 10.420 2.343 116 H ILE 23 H ILE 23 -0.226 4.233 -0.773 117 HA ILE 23 HA ILE 23 -1.363 2.217 -2.597 118 HB ILE 23 HB ILE 23 -0.469 0.799 -1.039 119 HG12 ILE 23 1HG1 ILE 23 -2.217 0.000 0.412 120 HG13 ILE 23 2HG1 ILE 23 -3.001 1.576 0.419 121 HG21 ILE 23 1HG2 ILE 23 -1.021 2.825 1.125 122 HG22 ILE 23 2HG2 ILE 23 -0.174 1.292 1.326 123 HG23 ILE 23 3HG2 ILE 23 0.532 2.566 0.331 124 HD11 ILE 23 1HD1 ILE 23 -3.098 -0.581 -1.576 125 HD12 ILE 23 2HD1 ILE 23 -4.323 0.599 -1.110 126 HD13 ILE 23 3HD1 ILE 23 -3.027 1.062 -2.213 127 H CYS 24 H CYS 24 -3.329 2.817 -3.198 128 HA CYS 24 HA CYS 24 -4.996 4.315 -1.290 129 HB2 CYS 24 1HB CYS 24 -6.238 5.116 -3.291 130 HB3 CYS 24 2HB CYS 24 -4.547 5.602 -3.288 131 HG CYS 24 HG CYS 24 -6.075 4.378 -5.742 132 H CYS 25 H CYS 25 -6.160 2.802 -0.236 133 HA CYS 25 HA CYS 25 -7.001 0.340 -1.058 134 HB2 CYS 25 1HB CYS 25 -7.279 1.393 1.233 135 HB3 CYS 25 2HB CYS 25 -8.731 2.170 0.608 136 H ASP 26 H ASP 26 -8.931 -0.513 -1.932 137 HA ASP 26 HA ASP 26 -10.234 1.307 -3.828 138 HB2 ASP 26 1HB ASP 26 -9.131 -0.721 -4.736 139 HB3 ASP 26 2HB ASP 26 -10.226 -1.718 -3.783 140 H LEU 27 H LEU 27 -10.771 -0.154 -0.868 141 HA LEU 27 HA LEU 27 -13.633 -0.515 -1.213 142 HB2 LEU 27 1HB LEU 27 -11.740 -0.928 1.080 143 HB3 LEU 27 2HB LEU 27 -13.487 -1.019 1.289 144 HG LEU 27 HG LEU 27 -13.246 -2.767 -0.700 145 HD11 LEU 27 1HD1 LEU 27 -10.592 -2.903 0.722 146 HD12 LEU 27 2HD1 LEU 27 -10.853 -2.491 -0.973 147 HD13 LEU 27 3HD1 LEU 27 -11.220 -4.116 -0.394 148 HD21 LEU 27 1HD2 LEU 27 -14.294 -3.604 1.140 149 HD22 LEU 27 2HD2 LEU 27 -13.050 -3.030 2.250 150 HD23 LEU 27 3HD2 LEU 27 -12.763 -4.470 1.273 151 H CYS 28 H CYS 28 -11.772 1.180 1.308 152 HA CYS 28 HA CYS 28 -13.925 3.093 1.626 153 HB2 CYS 28 1HB CYS 28 -12.554 3.964 3.493 154 HB3 CYS 28 2HB CYS 28 -12.845 2.233 3.628 155 H GLU 29 H GLU 29 -11.286 2.831 -0.367 156 HA GLU 29 HA GLU 29 -10.121 4.272 -1.690 157 HB2 GLU 29 1HB GLU 29 -12.753 5.590 -1.274 158 HB3 GLU 29 2HB GLU 29 -11.473 6.560 -1.989 159 HG2 GLU 29 1HG GLU 29 -12.975 5.423 -3.622 160 HG3 GLU 29 2HG GLU 29 -11.258 5.082 -3.828 161 H MET 30 H MET 30 -9.232 4.240 0.908 162 HA MET 30 HA MET 30 -8.770 7.047 1.620 163 HB2 MET 30 1HB MET 30 -9.496 5.085 3.254 164 HB3 MET 30 2HB MET 30 -7.761 4.800 3.301 165 HG2 MET 30 1HG MET 30 -8.281 6.196 5.131 166 HG3 MET 30 2HG MET 30 -7.475 7.204 3.930 167 HE1 MET 30 1HE MET 30 -10.376 8.955 6.149 168 HE2 MET 30 2HE MET 30 -10.814 7.249 6.241 169 HE3 MET 30 3HE MET 30 -9.135 7.742 6.461 170 H TRP 31 H TRP 31 -6.556 7.633 2.330 171 HA TRP 31 HA TRP 31 -4.589 6.441 0.506 172 HB2 TRP 31 1HB TRP 31 -4.188 9.031 1.976 173 HB3 TRP 31 2HB TRP 31 -3.478 8.501 0.453 174 HD1 TRP 31 HD TRP 31 -6.973 9.517 1.808 175 HE1 TRP 31 1HE TRP 31 -8.242 10.700 -0.093 176 HE3 TRP 31 3HE TRP 31 -3.519 8.989 -1.924 177 HZ2 TRP 31 2HZ TRP 31 -7.833 11.326 -2.815 178 HZ3 TRP 31 3HZ TRP 31 -4.036 9.908 -4.148 179 HH2 TRP 31 HH TRP 31 -6.149 11.051 -4.582 180 H PHE 32 H PHE 32 -2.676 5.615 1.215 181 HA PHE 32 HA PHE 32 -1.977 5.851 4.038 182 HB2 PHE 32 1HB PHE 32 -2.233 3.164 2.674 183 HB3 PHE 32 2HB PHE 32 -1.742 3.452 4.340 184 HD1 PHE 32 1HD PHE 32 -3.439 4.566 5.892 185 HD2 PHE 32 2HD PHE 32 -4.468 2.836 2.142 186 HE1 PHE 32 1HE PHE 32 -5.786 4.409 6.613 187 HE2 PHE 32 2HE PHE 32 -6.817 2.678 2.856 188 HZ PHE 32 HZ PHE 32 -7.479 3.465 5.093 189 H HIS 33 H HIS 33 0.121 4.249 4.275 190 HA HIS 33 HA HIS 33 1.950 5.160 2.155 191 HB2 HIS 33 1HB HIS 33 2.398 4.661 5.096 192 HB3 HIS 33 2HB HIS 33 3.726 4.847 3.955 193 HD2 HIS 33 2HD HIS 33 2.800 7.457 2.320 194 HE1 HIS 33 1HE HIS 33 2.305 9.269 6.124 195 HE2 HIS 33 2HE HIS 33 2.475 9.657 3.641 196 H GLY 34 H GLY 34 2.830 3.660 0.895 197 HA2 GLY 34 1HA GLY 34 2.265 1.020 0.796 198 HA3 GLY 34 2HA GLY 34 3.814 1.661 0.269 199 H LYS 35 H LYS 35 4.848 2.454 2.750 200 HA LYS 35 HA LYS 35 5.849 -0.037 3.696 201 HB2 LYS 35 1HB LYS 35 7.062 1.351 5.357 202 HB3 LYS 35 2HB LYS 35 7.275 1.914 3.704 203 HG2 LYS 35 1HG LYS 35 5.842 3.754 4.040 204 HG3 LYS 35 2HG LYS 35 5.232 3.097 5.561 205 HD2 LYS 35 1HD LYS 35 6.724 4.701 6.297 206 HD3 LYS 35 2HD LYS 35 7.722 3.245 6.310 207 HE2 LYS 35 1HE LYS 35 7.627 4.975 3.873 208 HE3 LYS 35 2HE LYS 35 8.633 5.441 5.243 209 HZ1 LYS 35 1HZ LYS 35 9.062 2.724 4.680 210 HZ2 LYS 35 2HZ LYS 35 10.161 4.005 4.582 211 HZ3 LYS 35 3HZ LYS 35 9.218 3.596 3.239 212 H CYS 36 H CYS 36 3.444 2.247 4.851 213 HA CYS 36 HA CYS 36 3.123 1.106 7.431 214 HB2 CYS 36 1HB CYS 36 1.520 2.987 5.736 215 HB3 CYS 36 2HB CYS 36 0.808 2.314 7.198 216 H VAL 37 H VAL 37 1.464 0.643 4.341 217 HA VAL 37 HA VAL 37 -0.423 -1.239 5.410 218 HB VAL 37 HB VAL 37 -1.199 -1.539 3.169 219 HG11 VAL 37 1HG1 VAL 37 -1.710 0.734 2.521 220 HG12 VAL 37 2HG1 VAL 37 -1.753 0.596 4.279 221 HG13 VAL 37 3HG1 VAL 37 -0.366 1.343 3.485 222 HG21 VAL 37 1HG2 VAL 37 1.147 0.041 2.143 223 HG22 VAL 37 2HG2 VAL 37 1.137 -1.722 2.207 224 HG23 VAL 37 3HG2 VAL 37 -0.046 -0.869 1.215 225 H LYS 38 H LYS 38 2.725 -1.568 5.225 226 HA LYS 38 HA LYS 38 4.185 -3.307 5.104 227 HB2 LYS 38 1HB LYS 38 1.574 -4.754 5.457 228 HB3 LYS 38 2HB LYS 38 3.078 -5.643 5.256 229 HG2 LYS 38 1HG LYS 38 2.723 -3.543 7.371 230 HG3 LYS 38 2HG LYS 38 2.296 -5.237 7.628 231 HD2 LYS 38 1HD LYS 38 4.498 -5.944 7.497 232 HD3 LYS 38 2HD LYS 38 5.008 -4.520 6.588 233 HE2 LYS 38 1HE LYS 38 4.252 -4.622 9.506 234 HE3 LYS 38 2HE LYS 38 5.874 -4.419 8.847 235 HZ1 LYS 38 1HZ LYS 38 3.668 -2.496 8.981 236 HZ2 LYS 38 2HZ LYS 38 4.745 -2.383 7.681 237 HZ3 LYS 38 3HZ LYS 38 5.319 -2.264 9.268 238 H ILE 39 H ILE 39 3.323 -2.121 2.665 239 HA ILE 39 HA ILE 39 3.650 -4.417 0.847 240 HB ILE 39 HB ILE 39 1.977 -1.946 0.396 241 HG12 ILE 39 1HG1 ILE 39 1.310 -4.890 0.572 242 HG13 ILE 39 2HG1 ILE 39 0.822 -3.625 1.696 243 HG21 ILE 39 1HG2 ILE 39 2.613 -2.164 -1.743 244 HG22 ILE 39 2HG2 ILE 39 3.252 -3.787 -1.490 245 HG23 ILE 39 3HG2 ILE 39 1.525 -3.551 -1.757 246 HD11 ILE 39 1HD1 ILE 39 -0.312 -2.599 -0.419 247 HD12 ILE 39 2HD1 ILE 39 -0.214 -4.255 -1.019 248 HD13 ILE 39 3HD1 ILE 39 -1.088 -3.907 0.474 249 H THR 40 H THR 40 5.489 -4.341 -0.243 250 HA THR 40 HA THR 40 7.158 -2.015 -0.218 251 HB THR 40 HB THR 40 8.544 -3.484 -1.864 252 HG1 THR 40 1HG THR 40 7.924 -5.791 -1.330 253 HG21 THR 40 1HG2 THR 40 8.034 -4.383 0.975 254 HG22 THR 40 2HG2 THR 40 9.137 -3.099 0.480 255 HG23 THR 40 3HG2 THR 40 9.459 -4.768 0.011 256 HA PRO 41 HA PRO 41 6.004 -0.072 -3.984 257 HB2 PRO 41 1HB PRO 41 8.391 0.924 -4.809 258 HB3 PRO 41 2HB PRO 41 7.493 1.591 -3.440 259 HG2 PRO 41 1HG PRO 41 9.811 -0.303 -3.441 260 HG3 PRO 41 2HG PRO 41 9.512 1.100 -2.398 261 HD2 PRO 41 1HD PRO 41 9.038 -1.442 -1.593 262 HD3 PRO 41 2HD PRO 41 8.067 -0.065 -1.032 263 H ALA 42 H ALA 42 8.147 -2.716 -3.927 264 HA ALA 42 HA ALA 42 8.439 -2.845 -6.822 265 HB1 ALA 42 1HB ALA 42 10.406 -3.466 -5.707 266 HB2 ALA 42 2HB ALA 42 9.537 -4.486 -4.560 267 HB3 ALA 42 3HB ALA 42 9.693 -4.987 -6.244 268 H ARG 43 H ARG 43 6.766 -4.504 -4.203 269 HA ARG 43 HA ARG 43 5.672 -6.529 -5.937 270 HB2 ARG 43 1HB ARG 43 6.129 -7.053 -3.599 271 HB3 ARG 43 2HB ARG 43 5.020 -5.791 -3.079 272 HG2 ARG 43 1HG ARG 43 3.157 -7.009 -4.084 273 HG3 ARG 43 2HG ARG 43 4.270 -8.274 -4.609 274 HD2 ARG 43 1HD ARG 43 4.247 -7.532 -1.732 275 HD3 ARG 43 2HD ARG 43 2.888 -8.466 -2.357 276 HE ARG 43 HE ARG 43 5.223 -9.707 -3.221 277 HH11 ARG 43 2HH1 ARG 43 3.589 -9.012 -0.226 278 HH12 ARG 43 1HH1 ARG 43 4.221 -10.402 0.592 279 HH21 ARG 43 2HH2 ARG 43 6.061 -11.541 -2.154 280 HH22 ARG 43 1HH2 ARG 43 5.628 -11.839 -0.505 281 H ALA 44 H ALA 44 4.492 -3.600 -4.337 282 HA ALA 44 HA ALA 44 1.836 -3.615 -4.728 283 HB1 ALA 44 1HB ALA 44 2.231 -1.103 -5.510 284 HB2 ALA 44 2HB ALA 44 2.490 -1.627 -3.845 285 HB3 ALA 44 3HB ALA 44 3.862 -1.463 -4.942 286 H GLU 45 H GLU 45 4.251 -3.214 -7.261 287 HA GLU 45 HA GLU 45 2.712 -2.399 -9.385 288 HB2 GLU 45 1HB GLU 45 5.103 -4.194 -9.189 289 HB3 GLU 45 2HB GLU 45 4.318 -3.955 -10.743 290 HG2 GLU 45 1HG GLU 45 5.159 -1.621 -9.074 291 HG3 GLU 45 2HG GLU 45 6.309 -2.460 -10.114 292 H HIS 46 H HIS 46 3.346 -5.779 -8.440 293 HA HIS 46 HA HIS 46 1.615 -6.934 -10.334 294 HB2 HIS 46 1HB HIS 46 2.545 -8.009 -7.664 295 HB3 HIS 46 2HB HIS 46 1.757 -8.964 -8.916 296 HD1 HIS 46 1HD HIS 46 3.138 -9.111 -11.243 297 HD2 HIS 46 2HD HIS 46 5.252 -7.850 -7.896 298 HE1 HIS 46 1HE HIS 46 5.566 -9.396 -11.835 299 HE2 HIS 46 2HE HIS 46 6.823 -8.707 -9.764 300 H ILE 47 H ILE 47 1.116 -5.959 -6.969 301 HA ILE 47 HA ILE 47 -1.495 -6.970 -6.690 302 HB ILE 47 HB ILE 47 -0.343 -4.552 -5.298 303 HG12 ILE 47 1HG1 ILE 47 -0.271 -7.426 -4.369 304 HG13 ILE 47 2HG1 ILE 47 1.079 -6.635 -5.176 305 HG21 ILE 47 1HG2 ILE 47 -2.894 -5.376 -5.234 306 HG22 ILE 47 2HG2 ILE 47 -2.224 -6.384 -3.952 307 HG23 ILE 47 3HG2 ILE 47 -2.084 -4.629 -3.858 308 HD11 ILE 47 1HD1 ILE 47 1.309 -6.684 -2.731 309 HD12 ILE 47 2HD1 ILE 47 1.268 -5.043 -3.378 310 HD13 ILE 47 3HD1 ILE 47 -0.160 -5.718 -2.593 311 H LYS 48 H LYS 48 -3.428 -6.251 -7.337 312 HA LYS 48 HA LYS 48 -3.522 -3.873 -9.011 313 HB2 LYS 48 1HB LYS 48 -5.450 -6.126 -8.486 314 HB3 LYS 48 2HB LYS 48 -5.927 -4.689 -9.380 315 HG2 LYS 48 1HG LYS 48 -4.074 -5.145 -10.976 316 HG3 LYS 48 2HG LYS 48 -3.782 -6.664 -10.125 317 HD2 LYS 48 1HD LYS 48 -5.811 -7.578 -10.807 318 HD3 LYS 48 2HD LYS 48 -6.511 -5.999 -11.169 319 HE2 LYS 48 1HE LYS 48 -6.069 -6.942 -13.266 320 HE3 LYS 48 2HE LYS 48 -4.732 -5.826 -12.993 321 HZ1 LYS 48 1HZ LYS 48 -3.886 -8.201 -11.929 322 HZ2 LYS 48 2HZ LYS 48 -3.406 -7.540 -13.410 323 HZ3 LYS 48 3HZ LYS 48 -4.678 -8.653 -13.354 324 H GLN 49 H GLN 49 -5.703 -5.187 -6.510 325 HA GLN 49 HA GLN 49 -5.935 -2.479 -5.396 326 HB2 GLN 49 1HB GLN 49 -8.271 -4.343 -5.841 327 HB3 GLN 49 2HB GLN 49 -8.338 -2.725 -5.155 328 HG2 GLN 49 1HG GLN 49 -8.107 -1.704 -7.175 329 HG3 GLN 49 2HG GLN 49 -7.180 -3.034 -7.867 330 HE21 GLN 49 1HE2 GLN 49 -8.192 -4.197 -9.325 331 HE22 GLN 49 2HE2 GLN 49 -9.903 -4.387 -9.474 332 H TYR 50 H TYR 50 -4.564 -3.129 -3.702 333 HA TYR 50 HA TYR 50 -5.034 -5.430 -2.114 334 HB2 TYR 50 1HB TYR 50 -2.847 -4.584 -2.009 335 HB3 TYR 50 2HB TYR 50 -3.399 -2.934 -1.741 336 HD1 TYR 50 1HD TYR 50 -3.482 -6.293 -0.108 337 HD2 TYR 50 2HD TYR 50 -3.319 -2.072 0.405 338 HE1 TYR 50 1HE TYR 50 -3.210 -6.604 2.317 339 HE2 TYR 50 2HE TYR 50 -3.046 -2.371 2.830 340 HH TYR 50 HH TYR 50 -2.907 -3.818 4.503 341 H LYS 51 H LYS 51 -5.889 -5.590 -0.016 342 HA LYS 51 HA LYS 51 -8.007 -3.649 0.528 343 HB2 LYS 51 1HB LYS 51 -8.457 -6.139 0.397 344 HB3 LYS 51 2HB LYS 51 -7.549 -6.301 1.894 345 HG2 LYS 51 1HG LYS 51 -9.153 -4.741 2.970 346 HG3 LYS 51 2HG LYS 51 -10.101 -4.761 1.481 347 HD2 LYS 51 1HD LYS 51 -10.135 -7.304 1.750 348 HD3 LYS 51 2HD LYS 51 -9.567 -7.015 3.396 349 HE2 LYS 51 1HE LYS 51 -11.556 -5.424 3.609 350 HE3 LYS 51 2HE LYS 51 -12.158 -6.172 2.130 351 HZ1 LYS 51 1HZ LYS 51 -12.669 -8.071 3.195 352 HZ2 LYS 51 2HZ LYS 51 -12.718 -7.077 4.562 353 HZ3 LYS 51 3HZ LYS 51 -11.337 -7.998 4.235 354 H CYS 52 H CYS 52 -7.000 -1.958 1.548 355 HA CYS 52 HA CYS 52 -4.959 -1.812 3.274 356 HB2 CYS 52 1HB CYS 52 -5.803 0.210 4.043 357 HB3 CYS 52 2HB CYS 52 -6.679 0.005 2.530 358 HA PRO 53 HA PRO 53 -5.726 -4.121 6.926 359 HB2 PRO 53 1HB PRO 53 -4.490 -2.592 8.798 360 HB3 PRO 53 2HB PRO 53 -3.607 -3.543 7.598 361 HG2 PRO 53 1HG PRO 53 -4.259 -0.622 7.591 362 HG3 PRO 53 2HG PRO 53 -2.742 -1.430 7.156 363 HD2 PRO 53 1HD PRO 53 -4.513 -0.559 5.302 364 HD3 PRO 53 2HD PRO 53 -3.501 -1.996 5.055 365 H SER 54 H SER 54 -6.917 -0.919 6.593 366 HA SER 54 HA SER 54 -8.311 -0.838 9.112 367 HB2 SER 54 1HB SER 54 -7.507 1.214 7.926 368 HB3 SER 54 2HB SER 54 -8.719 0.916 6.680 369 HG SER 54 HG SER 54 -10.061 0.811 8.874 370 H CYS 55 H CYS 55 -8.937 -1.986 5.916 371 HA CYS 55 HA CYS 55 -11.811 -2.170 6.384 372 HB2 CYS 55 1HB CYS 55 -10.038 -2.597 4.000 373 HB3 CYS 55 2HB CYS 55 -11.672 -3.252 4.017 374 H SER 56 H SER 56 -9.139 -4.356 5.498 375 HA SER 56 HA SER 56 -10.365 -6.774 5.549 376 HB2 SER 56 1HB SER 56 -8.136 -7.020 5.079 377 HB3 SER 56 2HB SER 56 -7.638 -5.862 6.312 378 HG SER 56 HG SER 56 -7.077 -8.016 6.863 379 H ASN 57 H ASN 57 -9.870 -4.662 8.234 380 HA ASN 57 HA ASN 57 -10.125 -6.556 10.325 381 HB2 ASN 57 1HB ASN 57 -9.327 -4.067 10.380 382 HB3 ASN 57 2HB ASN 57 -11.036 -3.712 10.611 383 HD21 ASN 57 1HD2 ASN 57 -8.174 -5.046 12.000 384 HD22 ASN 57 2HD2 ASN 57 -8.791 -5.254 13.600 385 H LYS 58 H LYS 58 -12.487 -4.269 8.944 386 HA LYS 58 HA LYS 58 -14.677 -5.445 10.371 387 HB2 LYS 58 1HB LYS 58 -16.025 -3.804 9.378 388 HB3 LYS 58 2HB LYS 58 -14.461 -3.019 9.561 389 HG2 LYS 58 1HG LYS 58 -14.105 -3.918 7.110 390 HG3 LYS 58 2HG LYS 58 -15.870 -3.898 7.099 391 HD2 LYS 58 1HD LYS 58 -15.700 -1.509 7.944 392 HD3 LYS 58 2HD LYS 58 -13.982 -1.598 7.550 393 HE2 LYS 58 1HE LYS 58 -14.753 -2.340 5.222 394 HE3 LYS 58 2HE LYS 58 -16.345 -1.758 5.704 395 HZ1 LYS 58 1HZ LYS 58 -14.495 0.224 6.343 396 HZ2 LYS 58 2HZ LYS 58 -15.704 0.274 5.162 397 HZ3 LYS 58 3HZ LYS 58 -14.155 -0.274 4.762 398 H SER 59 H SER 59 -16.598 -6.336 9.287 399 HA SER 59 HA SER 59 -15.783 -8.207 7.189 400 HB2 SER 59 1HB SER 59 -17.863 -9.426 7.788 401 HB3 SER 59 2HB SER 59 -16.786 -9.211 9.168 402 HG SER 59 HG SER 59 -18.550 -8.452 10.050 403 H GLY 60 H GLY 60 -18.606 -6.165 7.973 404 HA2 GLY 60 1HA GLY 60 -19.429 -6.234 5.175 405 HA3 GLY 60 2HA GLY 60 -20.341 -5.550 6.512 406 HA PRO 61 HA PRO 61 -17.590 -2.376 4.115 407 HB2 PRO 61 1HB PRO 61 -19.120 -1.789 1.950 408 HB3 PRO 61 2HB PRO 61 -17.858 -3.027 1.928 409 HG2 PRO 61 1HG PRO 61 -20.818 -3.345 2.248 410 HG3 PRO 61 2HG PRO 61 -19.689 -4.302 1.271 411 HD2 PRO 61 1HD PRO 61 -20.593 -5.132 3.685 412 HD3 PRO 61 2HD PRO 61 -18.973 -5.537 3.082 413 H SER 62 H SER 62 -17.893 -0.270 4.615 414 HA SER 62 HA SER 62 -19.980 0.577 6.216 415 HB2 SER 62 1HB SER 62 -19.178 2.875 5.784 416 HB3 SER 62 2HB SER 62 -17.843 1.765 6.092 417 HG SER 62 HG SER 62 -17.225 2.845 4.311 418 H SER 63 H SER 63 -19.519 1.210 2.743 419 HA SER 63 HA SER 63 -21.908 2.644 2.369 420 HB2 SER 63 1HB SER 63 -20.078 2.700 0.739 421 HB3 SER 63 2HB SER 63 -20.337 0.995 0.372 422 HG SER 63 HG SER 63 -21.351 2.663 -1.050 423 H GLY 64 H GLY 64 -21.161 -0.773 1.658 424 HA2 GLY 64 1HA GLY 64 -22.994 -2.299 2.550 425 HA3 GLY 64 2HA GLY 64 -24.065 -1.289 1.591 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -10.455 16.393 16.252 2 HA2 GLY 1 1HA GLY 1 -12.590 17.077 15.427 3 HA3 GLY 1 2HA GLY 1 -12.561 17.594 17.106 4 H SER 2 H SER 2 -10.794 19.753 16.903 5 HA SER 2 HA SER 2 -12.414 21.620 15.302 6 HB2 SER 2 1HB SER 2 -12.565 22.014 17.720 7 HB3 SER 2 2HB SER 2 -10.810 22.152 17.816 8 HG SER 2 HG SER 2 -12.614 24.031 17.177 9 H SER 3 H SER 3 -9.114 20.927 16.399 10 HA SER 3 HA SER 3 -8.072 21.923 13.881 11 HB2 SER 3 1HB SER 3 -7.303 23.150 16.537 12 HB3 SER 3 2HB SER 3 -6.392 23.380 15.045 13 HG SER 3 HG SER 3 -7.988 24.578 14.230 14 H GLY 4 H GLY 4 -6.402 20.721 13.212 15 HA2 GLY 4 1HA GLY 4 -4.334 19.696 14.767 16 HA3 GLY 4 2HA GLY 4 -5.575 18.453 14.696 17 H SER 5 H SER 5 -5.411 17.044 13.091 18 HA SER 5 HA SER 5 -4.058 17.888 10.615 19 HB2 SER 5 1HB SER 5 -3.688 15.318 12.161 20 HB3 SER 5 2HB SER 5 -3.157 15.523 10.492 21 HG SER 5 HG SER 5 -1.409 16.218 11.464 22 H SER 6 H SER 6 -5.275 17.638 8.872 23 HA SER 6 HA SER 6 -7.349 15.547 8.881 24 HB2 SER 6 1HB SER 6 -7.572 18.428 8.027 25 HB3 SER 6 2HB SER 6 -8.676 17.197 7.415 26 HG SER 6 HG SER 6 -8.238 17.846 10.145 27 H GLY 7 H GLY 7 -7.708 14.469 6.956 28 HA2 GLY 7 1HA GLY 7 -7.247 13.658 4.857 29 HA3 GLY 7 2HA GLY 7 -6.641 15.259 4.457 30 H GLN 8 H GLN 8 -5.727 12.312 6.227 31 HA GLN 8 HA GLN 8 -3.095 12.428 4.996 32 HB2 GLN 8 1HB GLN 8 -3.426 12.319 7.999 33 HB3 GLN 8 2HB GLN 8 -1.906 12.215 7.121 34 HG2 GLN 8 1HG GLN 8 -3.703 14.602 6.891 35 HG3 GLN 8 2HG GLN 8 -2.514 14.446 8.183 36 HE21 GLN 8 1HE2 GLN 8 -0.413 14.841 7.763 37 HE22 GLN 8 2HE2 GLN 8 0.201 15.316 6.220 38 H CYS 9 H CYS 9 -1.773 10.444 5.731 39 HA CYS 9 HA CYS 9 -3.085 8.133 4.960 40 HB2 CYS 9 1HB CYS 9 -0.731 8.111 4.839 41 HB3 CYS 9 2HB CYS 9 -0.554 8.581 6.526 42 H GLY 10 H GLY 10 -4.732 7.146 5.920 43 HA2 GLY 10 1HA GLY 10 -5.645 7.520 8.498 44 HA3 GLY 10 2HA GLY 10 -5.979 6.088 7.535 45 H ALA 11 H ALA 11 -3.274 5.177 7.346 46 HA ALA 11 HA ALA 11 -3.109 3.559 9.607 47 HB1 ALA 11 1HB ALA 11 -0.502 3.863 8.506 48 HB2 ALA 11 2HB ALA 11 -1.634 2.523 8.317 49 HB3 ALA 11 3HB ALA 11 -1.677 3.878 7.190 50 H CYS 12 H CYS 12 -1.144 6.417 8.782 51 HA CYS 12 HA CYS 12 -0.685 6.824 11.656 52 HB2 CYS 12 1HB CYS 12 1.635 7.333 11.308 53 HB3 CYS 12 2HB CYS 12 1.315 5.766 10.571 54 H GLY 13 H GLY 13 -0.471 8.260 8.411 55 HA2 GLY 13 1HA GLY 13 -1.413 10.304 7.754 56 HA3 GLY 13 2HA GLY 13 -1.682 10.699 9.446 57 H GLU 14 H GLU 14 0.869 10.360 7.005 58 HA GLU 14 HA GLU 14 2.540 12.209 8.554 59 HB2 GLU 14 1HB GLU 14 3.143 10.241 6.362 60 HB3 GLU 14 2HB GLU 14 4.282 11.512 6.784 61 HG2 GLU 14 1HG GLU 14 3.228 9.807 8.971 62 HG3 GLU 14 2HG GLU 14 4.402 9.105 7.859 63 H SER 15 H SER 15 4.076 13.419 6.767 64 HA SER 15 HA SER 15 2.357 15.386 5.639 65 HB2 SER 15 1HB SER 15 4.535 16.030 6.492 66 HB3 SER 15 2HB SER 15 5.339 14.953 5.351 67 HG SER 15 HG SER 15 5.238 16.486 3.934 68 H TYR 16 H TYR 16 2.220 16.013 3.415 69 HA TYR 16 HA TYR 16 1.569 13.957 1.666 70 HB2 TYR 16 1HB TYR 16 0.928 16.437 1.552 71 HB3 TYR 16 2HB TYR 16 2.467 16.678 0.731 72 HD1 TYR 16 2HD TYR 16 2.833 14.809 -1.229 73 HD2 TYR 16 1HD TYR 16 -0.906 16.276 0.176 74 HE1 TYR 16 2HE TYR 16 1.792 14.190 -3.370 75 HE2 TYR 16 1HE TYR 16 -1.957 15.660 -1.960 76 HH TYR 16 HH TYR 16 -1.486 15.113 -4.155 77 H ALA 17 H ALA 17 2.731 12.618 0.458 78 HA ALA 17 HA ALA 17 5.524 13.341 -0.150 79 HB1 ALA 17 1HB ALA 17 6.093 10.968 -0.014 80 HB2 ALA 17 2HB ALA 17 5.422 11.555 1.508 81 HB3 ALA 17 3HB ALA 17 4.426 10.590 0.419 82 H ALA 18 H ALA 18 6.239 13.064 -2.208 83 HA ALA 18 HA ALA 18 4.244 12.157 -4.176 84 HB1 ALA 18 1HB ALA 18 4.631 14.342 -4.761 85 HB2 ALA 18 2HB ALA 18 6.317 14.297 -4.245 86 HB3 ALA 18 3HB ALA 18 5.836 13.517 -5.751 87 H ASP 19 H ASP 19 7.798 12.437 -3.965 88 HA ASP 19 HA ASP 19 8.239 10.291 -5.780 89 HB2 ASP 19 1HB ASP 19 10.617 10.502 -5.076 90 HB3 ASP 19 2HB ASP 19 9.899 12.037 -5.558 91 H GLU 20 H GLU 20 6.767 8.771 -4.623 92 HA GLU 20 HA GLU 20 8.260 6.798 -3.273 93 HB2 GLU 20 1HB GLU 20 7.368 6.877 -1.065 94 HB3 GLU 20 2HB GLU 20 7.982 8.484 -1.426 95 HG2 GLU 20 1HG GLU 20 5.869 9.403 -1.584 96 HG3 GLU 20 2HG GLU 20 5.104 7.845 -1.890 97 H PHE 21 H PHE 21 6.893 4.950 -2.587 98 HA PHE 21 HA PHE 21 4.743 4.590 -4.488 99 HB2 PHE 21 1HB PHE 21 5.933 2.638 -4.437 100 HB3 PHE 21 2HB PHE 21 6.379 2.829 -2.744 101 HD1 PHE 21 1HD PHE 21 3.111 2.588 -4.533 102 HD2 PHE 21 2HD PHE 21 5.676 1.028 -1.516 103 HE1 PHE 21 1HE PHE 21 1.373 0.967 -3.898 104 HE2 PHE 21 2HE PHE 21 3.943 -0.596 -0.877 105 HZ PHE 21 HZ PHE 21 1.788 -0.629 -2.069 106 H TRP 22 H TRP 22 2.644 4.776 -4.066 107 HA TRP 22 HA TRP 22 1.800 4.900 -1.245 108 HB2 TRP 22 1HB TRP 22 0.948 6.456 -3.658 109 HB3 TRP 22 2HB TRP 22 -0.199 6.202 -2.346 110 HD1 TRP 22 HD TRP 22 3.344 7.687 -2.870 111 HE1 TRP 22 1HE TRP 22 3.666 9.587 -1.163 112 HE3 TRP 22 3HE TRP 22 -1.052 7.225 -0.301 113 HZ2 TRP 22 2HZ TRP 22 2.245 10.737 0.988 114 HZ3 TRP 22 3HZ TRP 22 -1.493 8.764 1.568 115 HH2 TRP 22 HH TRP 22 0.123 10.482 2.198 116 H ILE 23 H ILE 23 -0.093 3.857 -0.628 117 HA ILE 23 HA ILE 23 -1.159 1.939 -2.597 118 HB ILE 23 HB ILE 23 -0.164 0.525 -1.083 119 HG12 ILE 23 1HG1 ILE 23 -1.886 -0.497 0.260 120 HG13 ILE 23 2HG1 ILE 23 -2.808 1.002 0.303 121 HG21 ILE 23 1HG2 ILE 23 -0.926 2.448 1.110 122 HG22 ILE 23 2HG2 ILE 23 -0.090 0.916 1.356 123 HG23 ILE 23 3HG2 ILE 23 0.682 2.203 0.430 124 HD11 ILE 23 1HD1 ILE 23 -3.975 0.023 -1.337 125 HD12 ILE 23 2HD1 ILE 23 -2.652 0.589 -2.358 126 HD13 ILE 23 3HD1 ILE 23 -2.660 -1.071 -1.764 127 H CYS 24 H CYS 24 -3.161 2.418 -3.185 128 HA CYS 24 HA CYS 24 -4.914 3.796 -1.268 129 HB2 CYS 24 1HB CYS 24 -4.453 4.929 -3.451 130 HB3 CYS 24 2HB CYS 24 -5.238 3.582 -4.266 131 HG CYS 24 HG CYS 24 -6.581 6.248 -2.846 132 H CYS 25 H CYS 25 -6.827 2.930 -0.654 133 HA CYS 25 HA CYS 25 -7.352 0.178 -1.512 134 HB2 CYS 25 1HB CYS 25 -7.212 0.266 0.833 135 HB3 CYS 25 2HB CYS 25 -8.118 1.773 0.920 136 H ASP 26 H ASP 26 -9.605 -0.493 -1.807 137 HA ASP 26 HA ASP 26 -11.060 1.512 -3.347 138 HB2 ASP 26 1HB ASP 26 -10.544 -0.855 -4.186 139 HB3 ASP 26 2HB ASP 26 -11.795 -1.398 -3.071 140 H LEU 27 H LEU 27 -11.688 -0.826 -0.739 141 HA LEU 27 HA LEU 27 -14.334 -0.209 -0.226 142 HB2 LEU 27 1HB LEU 27 -12.097 -1.161 1.523 143 HB3 LEU 27 2HB LEU 27 -13.695 -0.845 2.197 144 HG LEU 27 HG LEU 27 -13.505 -2.656 -0.155 145 HD11 LEU 27 1HD1 LEU 27 -11.763 -3.634 1.050 146 HD12 LEU 27 2HD1 LEU 27 -13.190 -4.543 1.546 147 HD13 LEU 27 3HD1 LEU 27 -12.525 -3.299 2.605 148 HD21 LEU 27 1HD2 LEU 27 -15.346 -3.765 1.007 149 HD22 LEU 27 2HD2 LEU 27 -15.673 -2.046 0.781 150 HD23 LEU 27 3HD2 LEU 27 -15.169 -2.649 2.361 151 H CYS 28 H CYS 28 -11.642 0.969 1.794 152 HA CYS 28 HA CYS 28 -13.180 3.061 2.930 153 HB2 CYS 28 1HB CYS 28 -10.177 3.084 2.842 154 HB3 CYS 28 2HB CYS 28 -11.248 3.647 4.120 155 H GLU 29 H GLU 29 -10.799 2.953 0.318 156 HA GLU 29 HA GLU 29 -10.469 4.357 -1.453 157 HB2 GLU 29 1HB GLU 29 -13.079 4.684 -1.039 158 HB3 GLU 29 2HB GLU 29 -12.549 6.289 -0.555 159 HG2 GLU 29 1HG GLU 29 -11.544 5.212 -3.129 160 HG3 GLU 29 2HG GLU 29 -13.228 5.727 -3.041 161 H MET 30 H MET 30 -9.010 4.613 0.939 162 HA MET 30 HA MET 30 -8.572 7.519 1.106 163 HB2 MET 30 1HB MET 30 -8.346 5.314 3.087 164 HB3 MET 30 2HB MET 30 -7.181 6.625 3.209 165 HG2 MET 30 1HG MET 30 -8.748 8.152 3.826 166 HG3 MET 30 2HG MET 30 -10.043 7.343 2.948 167 HE1 MET 30 1HE MET 30 -9.315 8.592 6.014 168 HE2 MET 30 2HE MET 30 -9.579 7.403 7.289 169 HE3 MET 30 3HE MET 30 -8.038 7.449 6.431 170 H TRP 31 H TRP 31 -6.164 7.953 1.809 171 HA TRP 31 HA TRP 31 -4.468 6.499 -0.111 172 HB2 TRP 31 1HB TRP 31 -3.056 8.737 0.291 173 HB3 TRP 31 2HB TRP 31 -4.332 8.629 -0.919 174 HD1 TRP 31 HD TRP 31 -4.774 9.184 2.890 175 HE1 TRP 31 1HE TRP 31 -6.055 11.391 3.226 176 HE3 TRP 31 3HE TRP 31 -5.054 10.711 -1.981 177 HZ2 TRP 31 2HZ TRP 31 -7.052 13.500 1.637 178 HZ3 TRP 31 3HZ TRP 31 -6.189 12.834 -2.488 179 HH2 TRP 31 HH TRP 31 -7.167 14.198 -0.715 180 H PHE 32 H PHE 32 -3.327 5.009 0.958 181 HA PHE 32 HA PHE 32 -2.157 5.729 3.558 182 HB2 PHE 32 1HB PHE 32 -2.372 2.949 2.405 183 HB3 PHE 32 2HB PHE 32 -2.055 3.405 4.076 184 HD1 PHE 32 1HD PHE 32 -3.995 5.024 5.052 185 HD2 PHE 32 2HD PHE 32 -4.456 2.123 1.972 186 HE1 PHE 32 1HE PHE 32 -6.401 4.886 5.547 187 HE2 PHE 32 2HE PHE 32 -6.863 1.980 2.462 188 HZ PHE 32 HZ PHE 32 -7.839 3.364 4.250 189 H HIS 33 H HIS 33 -0.056 4.248 3.895 190 HA HIS 33 HA HIS 33 1.708 4.880 1.623 191 HB2 HIS 33 1HB HIS 33 2.505 4.542 4.519 192 HB3 HIS 33 2HB HIS 33 3.514 5.134 3.203 193 HD2 HIS 33 2HD HIS 33 1.403 7.402 2.045 194 HE1 HIS 33 1HE HIS 33 1.660 8.966 5.980 195 HE2 HIS 33 2HE HIS 33 0.935 9.408 3.609 196 H GLY 34 H GLY 34 3.302 3.392 0.995 197 HA2 GLY 34 1HA GLY 34 2.549 0.701 0.991 198 HA3 GLY 34 2HA GLY 34 4.139 1.303 0.548 199 H LYS 35 H LYS 35 4.873 2.405 3.041 200 HA LYS 35 HA LYS 35 5.900 0.104 4.323 201 HB2 LYS 35 1HB LYS 35 6.726 1.700 6.035 202 HB3 LYS 35 2HB LYS 35 7.121 2.188 4.392 203 HG2 LYS 35 1HG LYS 35 5.158 3.720 4.447 204 HG3 LYS 35 2HG LYS 35 4.957 3.314 6.153 205 HD2 LYS 35 1HD LYS 35 7.411 4.029 6.405 206 HD3 LYS 35 2HD LYS 35 7.214 4.780 4.820 207 HE2 LYS 35 1HE LYS 35 5.242 5.330 7.000 208 HE3 LYS 35 2HE LYS 35 6.790 6.173 6.978 209 HZ1 LYS 35 1HZ LYS 35 5.343 6.136 4.464 210 HZ2 LYS 35 2HZ LYS 35 6.199 7.394 5.203 211 HZ3 LYS 35 3HZ LYS 35 4.622 7.037 5.702 212 H CYS 36 H CYS 36 3.357 2.406 5.250 213 HA CYS 36 HA CYS 36 2.727 1.251 7.727 214 HB2 CYS 36 1HB CYS 36 1.150 2.940 5.796 215 HB3 CYS 36 2HB CYS 36 0.446 2.367 7.304 216 H VAL 37 H VAL 37 1.366 0.697 4.497 217 HA VAL 37 HA VAL 37 -0.523 -1.252 5.379 218 HB VAL 37 HB VAL 37 -0.588 0.156 3.220 219 HG11 VAL 37 1HG1 VAL 37 0.336 -1.025 1.242 220 HG12 VAL 37 2HG1 VAL 37 1.577 -0.403 2.331 221 HG13 VAL 37 3HG1 VAL 37 1.179 -2.121 2.336 222 HG21 VAL 37 1HG2 VAL 37 -1.420 -2.646 3.657 223 HG22 VAL 37 2HG2 VAL 37 -2.391 -1.213 3.321 224 HG23 VAL 37 3HG2 VAL 37 -1.547 -2.033 2.008 225 H LYS 38 H LYS 38 2.759 -1.376 5.235 226 HA LYS 38 HA LYS 38 4.302 -3.045 5.296 227 HB2 LYS 38 1HB LYS 38 1.790 -4.553 5.974 228 HB3 LYS 38 2HB LYS 38 3.339 -5.377 5.850 229 HG2 LYS 38 1HG LYS 38 3.155 -2.962 7.573 230 HG3 LYS 38 2HG LYS 38 2.445 -4.472 8.148 231 HD2 LYS 38 1HD LYS 38 5.275 -4.257 7.139 232 HD3 LYS 38 2HD LYS 38 4.836 -4.054 8.837 233 HE2 LYS 38 1HE LYS 38 3.726 -6.329 8.670 234 HE3 LYS 38 2HE LYS 38 4.538 -6.505 7.115 235 HZ1 LYS 38 1HZ LYS 38 6.159 -7.381 8.368 236 HZ2 LYS 38 2HZ LYS 38 5.625 -6.646 9.794 237 HZ3 LYS 38 3HZ LYS 38 6.567 -5.772 8.694 238 H ILE 39 H ILE 39 3.638 -2.275 2.777 239 HA ILE 39 HA ILE 39 3.738 -4.817 1.294 240 HB ILE 39 HB ILE 39 2.227 -2.313 0.583 241 HG12 ILE 39 1HG1 ILE 39 1.413 -5.227 0.660 242 HG13 ILE 39 2HG1 ILE 39 1.078 -4.051 1.926 243 HG21 ILE 39 1HG2 ILE 39 3.386 -2.800 -1.412 244 HG22 ILE 39 2HG2 ILE 39 3.148 -4.536 -1.217 245 HG23 ILE 39 3HG2 ILE 39 1.779 -3.498 -1.611 246 HD11 ILE 39 1HD1 ILE 39 -0.217 -2.735 0.261 247 HD12 ILE 39 2HD1 ILE 39 0.007 -4.061 -0.881 248 HD13 ILE 39 3HD1 ILE 39 -0.888 -4.327 0.615 249 H THR 40 H THR 40 5.477 -5.053 0.052 250 HA THR 40 HA THR 40 7.518 -3.095 -0.037 251 HB THR 40 HB THR 40 8.635 -4.628 -1.653 252 HG1 THR 40 1HG THR 40 6.569 -6.492 -1.247 253 HG21 THR 40 1HG2 THR 40 8.864 -4.937 0.786 254 HG22 THR 40 2HG2 THR 40 8.950 -6.465 -0.091 255 HG23 THR 40 3HG2 THR 40 7.473 -6.020 0.762 256 HA PRO 41 HA PRO 41 6.477 -0.689 -3.563 257 HB2 PRO 41 1HB PRO 41 8.950 -0.052 -4.483 258 HB3 PRO 41 2HB PRO 41 8.262 0.651 -3.015 259 HG2 PRO 41 1HG PRO 41 10.210 -1.603 -3.302 260 HG3 PRO 41 2HG PRO 41 10.221 -0.255 -2.150 261 HD2 PRO 41 1HD PRO 41 9.357 -2.733 -1.484 262 HD3 PRO 41 2HD PRO 41 8.675 -1.260 -0.767 263 H ALA 42 H ALA 42 8.246 -3.614 -3.848 264 HA ALA 42 HA ALA 42 8.226 -3.574 -6.763 265 HB1 ALA 42 1HB ALA 42 10.055 -4.564 -5.100 266 HB2 ALA 42 2HB ALA 42 9.054 -6.005 -5.287 267 HB3 ALA 42 3HB ALA 42 9.769 -5.238 -6.705 268 H ARG 43 H ARG 43 6.632 -5.171 -4.066 269 HA ARG 43 HA ARG 43 5.183 -7.012 -5.730 270 HB2 ARG 43 1HB ARG 43 5.705 -7.651 -3.456 271 HB3 ARG 43 2HB ARG 43 4.865 -6.239 -2.826 272 HG2 ARG 43 1HG ARG 43 2.786 -7.221 -3.972 273 HG3 ARG 43 2HG ARG 43 3.719 -8.717 -4.051 274 HD2 ARG 43 1HD ARG 43 4.130 -8.165 -1.496 275 HD3 ARG 43 2HD ARG 43 2.620 -7.276 -1.694 276 HE ARG 43 HE ARG 43 1.510 -9.270 -1.778 277 HH11 ARG 43 2HH1 ARG 43 4.891 -9.838 -2.383 278 HH12 ARG 43 1HH1 ARG 43 4.738 -11.563 -2.366 279 HH21 ARG 43 2HH2 ARG 43 1.296 -11.541 -1.754 280 HH22 ARG 43 1HH2 ARG 43 2.693 -12.531 -2.009 281 H ALA 44 H ALA 44 4.556 -3.900 -4.218 282 HA ALA 44 HA ALA 44 1.787 -3.771 -4.600 283 HB1 ALA 44 1HB ALA 44 2.496 -2.083 -3.243 284 HB2 ALA 44 2HB ALA 44 3.949 -1.776 -4.195 285 HB3 ALA 44 3HB ALA 44 2.384 -1.196 -4.764 286 H GLU 45 H GLU 45 4.463 -3.023 -6.769 287 HA GLU 45 HA GLU 45 3.233 -1.651 -8.787 288 HB2 GLU 45 1HB GLU 45 5.408 -3.709 -8.787 289 HB3 GLU 45 2HB GLU 45 4.803 -3.091 -10.318 290 HG2 GLU 45 1HG GLU 45 5.893 -1.383 -8.093 291 HG3 GLU 45 2HG GLU 45 6.813 -1.917 -9.499 292 H HIS 46 H HIS 46 3.020 -5.092 -8.094 293 HA HIS 46 HA HIS 46 1.488 -5.659 -10.473 294 HB2 HIS 46 1HB HIS 46 2.054 -7.369 -8.042 295 HB3 HIS 46 2HB HIS 46 1.299 -7.933 -9.529 296 HD1 HIS 46 1HD HIS 46 3.118 -9.554 -10.212 297 HD2 HIS 46 2HD HIS 46 4.534 -5.706 -9.547 298 HE1 HIS 46 1HE HIS 46 5.489 -9.556 -11.052 299 HE2 HIS 46 2HE HIS 46 6.352 -7.241 -10.561 300 H ILE 47 H ILE 47 0.864 -5.182 -7.037 301 HA ILE 47 HA ILE 47 -1.882 -5.904 -7.125 302 HB ILE 47 HB ILE 47 -0.385 -4.184 -5.146 303 HG12 ILE 47 1HG1 ILE 47 -1.315 -7.043 -4.858 304 HG13 ILE 47 2HG1 ILE 47 0.296 -6.612 -5.419 305 HG21 ILE 47 1HG2 ILE 47 -2.736 -5.452 -4.095 306 HG22 ILE 47 2HG2 ILE 47 -2.297 -3.745 -4.107 307 HG23 ILE 47 3HG2 ILE 47 -3.154 -4.444 -5.480 308 HD11 ILE 47 1HD1 ILE 47 -0.461 -7.030 -2.815 309 HD12 ILE 47 2HD1 ILE 47 1.011 -6.219 -3.353 310 HD13 ILE 47 3HD1 ILE 47 -0.420 -5.272 -2.947 311 H LYS 48 H LYS 48 -3.665 -4.733 -7.558 312 HA LYS 48 HA LYS 48 -3.270 -1.918 -8.333 313 HB2 LYS 48 1HB LYS 48 -5.180 -2.196 -9.846 314 HB3 LYS 48 2HB LYS 48 -3.899 -3.343 -10.216 315 HG2 LYS 48 1HG LYS 48 -5.239 -4.970 -8.727 316 HG3 LYS 48 2HG LYS 48 -6.571 -3.837 -8.971 317 HD2 LYS 48 1HD LYS 48 -6.845 -5.406 -10.681 318 HD3 LYS 48 2HD LYS 48 -6.032 -4.054 -11.473 319 HE2 LYS 48 1HE LYS 48 -3.931 -5.177 -11.398 320 HE3 LYS 48 2HE LYS 48 -4.577 -6.440 -10.351 321 HZ1 LYS 48 1HZ LYS 48 -4.550 -7.402 -12.446 322 HZ2 LYS 48 2HZ LYS 48 -5.078 -5.997 -13.225 323 HZ3 LYS 48 3HZ LYS 48 -6.158 -6.899 -12.286 324 H GLN 49 H GLN 49 -5.565 -4.181 -6.849 325 HA GLN 49 HA GLN 49 -6.663 -1.918 -5.320 326 HB2 GLN 49 1HB GLN 49 -8.871 -3.108 -5.381 327 HB3 GLN 49 2HB GLN 49 -8.338 -2.471 -6.931 328 HG2 GLN 49 1HG GLN 49 -7.465 -4.773 -7.449 329 HG3 GLN 49 2HG GLN 49 -8.307 -5.327 -6.003 330 HE21 GLN 49 1HE2 GLN 49 -9.041 -6.535 -8.202 331 HE22 GLN 49 2HE2 GLN 49 -10.567 -5.971 -8.784 332 H TYR 50 H TYR 50 -5.279 -2.456 -3.588 333 HA TYR 50 HA TYR 50 -5.564 -5.087 -2.372 334 HB2 TYR 50 1HB TYR 50 -3.320 -4.251 -2.442 335 HB3 TYR 50 2HB TYR 50 -3.806 -2.715 -1.733 336 HD1 TYR 50 1HD TYR 50 -3.230 -6.290 -1.046 337 HD2 TYR 50 2HD TYR 50 -4.056 -2.469 0.635 338 HE1 TYR 50 1HE TYR 50 -2.719 -7.171 1.193 339 HE2 TYR 50 2HE TYR 50 -3.546 -3.340 2.878 340 HH TYR 50 HH TYR 50 -2.539 -6.714 3.355 341 H LYS 51 H LYS 51 -6.315 -5.431 -0.268 342 HA LYS 51 HA LYS 51 -8.286 -3.473 0.614 343 HB2 LYS 51 1HB LYS 51 -8.917 -5.862 0.361 344 HB3 LYS 51 2HB LYS 51 -7.767 -6.276 1.626 345 HG2 LYS 51 1HG LYS 51 -9.044 -4.845 3.191 346 HG3 LYS 51 2HG LYS 51 -10.235 -4.576 1.917 347 HD2 LYS 51 1HD LYS 51 -9.470 -7.339 2.817 348 HD3 LYS 51 2HD LYS 51 -10.729 -6.409 3.632 349 HE2 LYS 51 1HE LYS 51 -12.011 -6.268 1.604 350 HE3 LYS 51 2HE LYS 51 -10.709 -7.014 0.679 351 HZ1 LYS 51 1HZ LYS 51 -11.823 -8.896 1.047 352 HZ2 LYS 51 2HZ LYS 51 -12.736 -8.242 2.312 353 HZ3 LYS 51 3HZ LYS 51 -11.180 -8.836 2.610 354 H CYS 52 H CYS 52 -7.138 -1.883 1.655 355 HA CYS 52 HA CYS 52 -4.965 -1.983 3.256 356 HB2 CYS 52 1HB CYS 52 -5.648 0.048 4.235 357 HB3 CYS 52 2HB CYS 52 -6.427 0.035 2.656 358 HA PRO 53 HA PRO 53 -5.790 -4.385 6.837 359 HB2 PRO 53 1HB PRO 53 -4.256 -3.108 8.677 360 HB3 PRO 53 2HB PRO 53 -3.577 -4.103 7.384 361 HG2 PRO 53 1HG PRO 53 -3.858 -1.126 7.535 362 HG3 PRO 53 2HG PRO 53 -2.484 -2.093 6.965 363 HD2 PRO 53 1HD PRO 53 -4.246 -0.926 5.272 364 HD3 PRO 53 2HD PRO 53 -3.440 -2.463 4.900 365 H SER 54 H SER 54 -6.819 -1.194 6.546 366 HA SER 54 HA SER 54 -7.841 -0.831 9.203 367 HB2 SER 54 1HB SER 54 -7.227 0.971 7.413 368 HB3 SER 54 2HB SER 54 -8.862 0.681 6.819 369 HG SER 54 HG SER 54 -8.477 1.135 9.556 370 H CYS 55 H CYS 55 -9.247 -1.671 6.055 371 HA CYS 55 HA CYS 55 -11.858 -2.105 7.236 372 HB2 CYS 55 1HB CYS 55 -12.473 -2.785 4.889 373 HB3 CYS 55 2HB CYS 55 -11.866 -1.140 5.049 374 H SER 56 H SER 56 -9.424 -4.076 5.542 375 HA SER 56 HA SER 56 -10.589 -6.538 5.607 376 HB2 SER 56 1HB SER 56 -8.385 -7.502 5.541 377 HB3 SER 56 2HB SER 56 -8.324 -5.975 4.662 378 HG SER 56 HG SER 56 -7.782 -5.723 7.334 379 H ASN 57 H ASN 57 -9.358 -4.722 8.298 380 HA ASN 57 HA ASN 57 -9.222 -6.892 10.144 381 HB2 ASN 57 1HB ASN 57 -8.103 -4.549 10.273 382 HB3 ASN 57 2HB ASN 57 -9.637 -4.032 10.965 383 HD21 ASN 57 1HD2 ASN 57 -7.609 -6.924 11.314 384 HD22 ASN 57 2HD2 ASN 57 -7.518 -6.859 13.038 385 H LYS 58 H LYS 58 -11.408 -4.079 10.231 386 HA LYS 58 HA LYS 58 -13.267 -4.943 11.992 387 HB2 LYS 58 1HB LYS 58 -14.847 -3.467 10.983 388 HB3 LYS 58 2HB LYS 58 -13.258 -2.748 10.761 389 HG2 LYS 58 1HG LYS 58 -13.218 -3.242 8.484 390 HG3 LYS 58 2HG LYS 58 -14.507 -4.440 8.628 391 HD2 LYS 58 1HD LYS 58 -15.707 -2.708 7.752 392 HD3 LYS 58 2HD LYS 58 -15.870 -2.327 9.468 393 HE2 LYS 58 1HE LYS 58 -13.821 -0.871 9.207 394 HE3 LYS 58 2HE LYS 58 -13.984 -1.101 7.467 395 HZ1 LYS 58 1HZ LYS 58 -16.318 -0.236 7.748 396 HZ2 LYS 58 2HZ LYS 58 -15.081 0.897 7.964 397 HZ3 LYS 58 3HZ LYS 58 -15.873 0.243 9.308 398 H SER 59 H SER 59 -15.108 -6.205 12.005 399 HA SER 59 HA SER 59 -15.089 -8.491 10.327 400 HB2 SER 59 1HB SER 59 -16.940 -9.262 11.604 401 HB3 SER 59 2HB SER 59 -15.937 -8.346 12.729 402 HG SER 59 HG SER 59 -18.155 -7.800 12.905 403 H GLY 60 H GLY 60 -17.246 -9.232 9.285 404 HA2 GLY 60 1HA GLY 60 -18.053 -7.083 7.449 405 HA3 GLY 60 2HA GLY 60 -18.166 -8.806 7.122 406 HA PRO 61 HA PRO 61 -22.437 -8.585 8.118 407 HB2 PRO 61 1HB PRO 61 -22.890 -11.195 8.714 408 HB3 PRO 61 2HB PRO 61 -22.639 -10.616 7.063 409 HG2 PRO 61 1HG PRO 61 -20.697 -11.925 8.927 410 HG3 PRO 61 2HG PRO 61 -20.950 -12.209 7.195 411 HD2 PRO 61 1HD PRO 61 -18.919 -10.688 8.140 412 HD3 PRO 61 2HD PRO 61 -19.709 -10.366 6.583 413 H SER 62 H SER 62 -23.993 -9.219 9.873 414 HA SER 62 HA SER 62 -22.755 -8.695 12.455 415 HB2 SER 62 1HB SER 62 -24.640 -7.311 11.995 416 HB3 SER 62 2HB SER 62 -25.621 -8.691 11.501 417 HG SER 62 HG SER 62 -26.244 -8.251 13.552 418 H SER 63 H SER 63 -21.807 -10.683 12.946 419 HA SER 63 HA SER 63 -23.631 -12.963 13.275 420 HB2 SER 63 1HB SER 63 -21.598 -13.356 11.918 421 HB3 SER 63 2HB SER 63 -20.602 -12.918 13.306 422 HG SER 63 HG SER 63 -21.744 -15.278 12.725 423 H GLY 64 H GLY 64 -23.825 -10.867 15.123 424 HA2 GLY 64 1HA GLY 64 -24.048 -10.634 17.402 425 HA3 GLY 64 2HA GLY 64 -23.521 -12.303 17.561 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -0.809 28.626 3.085 2 HA2 GLY 1 1HA GLY 1 -0.406 27.058 1.459 3 HA3 GLY 1 2HA GLY 1 1.147 26.819 2.246 4 H SER 2 H SER 2 -2.238 26.110 3.119 5 HA SER 2 HA SER 2 -1.496 23.634 4.354 6 HB2 SER 2 1HB SER 2 -4.185 24.860 3.715 7 HB3 SER 2 2HB SER 2 -3.990 23.332 4.573 8 HG SER 2 HG SER 2 -3.396 25.937 5.405 9 H SER 3 H SER 3 -1.648 21.591 3.588 10 HA SER 3 HA SER 3 -2.158 21.303 0.722 11 HB2 SER 3 1HB SER 3 -0.866 19.404 2.695 12 HB3 SER 3 2HB SER 3 -1.036 19.109 0.964 13 HG SER 3 HG SER 3 0.926 19.989 1.086 14 H GLY 4 H GLY 4 -4.442 21.682 2.252 15 HA2 GLY 4 1HA GLY 4 -6.546 20.797 2.501 16 HA3 GLY 4 2HA GLY 4 -6.020 19.481 1.462 17 H SER 5 H SER 5 -6.264 20.608 4.771 18 HA SER 5 HA SER 5 -5.283 18.135 5.884 19 HB2 SER 5 1HB SER 5 -5.872 19.142 8.057 20 HB3 SER 5 2HB SER 5 -4.916 20.250 7.073 21 HG SER 5 HG SER 5 -6.519 21.541 7.611 22 H SER 6 H SER 6 -7.249 17.427 4.203 23 HA SER 6 HA SER 6 -9.434 16.648 6.016 24 HB2 SER 6 1HB SER 6 -9.570 17.824 3.279 25 HB3 SER 6 2HB SER 6 -10.754 16.588 3.702 26 HG SER 6 HG SER 6 -11.347 17.868 5.492 27 H GLY 7 H GLY 7 -7.107 15.145 5.591 28 HA2 GLY 7 1HA GLY 7 -8.012 12.605 5.189 29 HA3 GLY 7 2HA GLY 7 -7.581 13.149 3.574 30 H GLN 8 H GLN 8 -6.474 11.443 6.113 31 HA GLN 8 HA GLN 8 -3.712 11.749 5.240 32 HB2 GLN 8 1HB GLN 8 -2.811 12.056 7.427 33 HB3 GLN 8 2HB GLN 8 -4.063 13.272 7.209 34 HG2 GLN 8 1HG GLN 8 -4.234 10.732 8.808 35 HG3 GLN 8 2HG GLN 8 -4.259 12.390 9.408 36 HE21 GLN 8 1HE2 GLN 8 -6.118 9.772 8.609 37 HE22 GLN 8 2HE2 GLN 8 -7.650 10.555 8.453 38 H CYS 9 H CYS 9 -2.302 10.028 6.287 39 HA CYS 9 HA CYS 9 -3.384 7.497 5.756 40 HB2 CYS 9 1HB CYS 9 -0.999 7.911 5.575 41 HB3 CYS 9 2HB CYS 9 -0.898 8.264 7.297 42 H GLY 10 H GLY 10 -4.346 5.978 6.988 43 HA2 GLY 10 1HA GLY 10 -5.273 6.759 9.609 44 HA3 GLY 10 2HA GLY 10 -5.693 5.286 8.747 45 H ALA 11 H ALA 11 -2.886 4.556 8.304 46 HA ALA 11 HA ALA 11 -2.488 2.971 10.592 47 HB1 ALA 11 1HB ALA 11 -0.313 3.663 8.641 48 HB2 ALA 11 2HB ALA 11 -0.549 2.167 9.546 49 HB3 ALA 11 3HB ALA 11 -1.638 2.577 8.221 50 H CYS 12 H CYS 12 -0.558 5.735 9.413 51 HA CYS 12 HA CYS 12 0.316 6.177 12.194 52 HB2 CYS 12 1HB CYS 12 2.399 7.072 11.334 53 HB3 CYS 12 2HB CYS 12 2.140 5.463 10.668 54 H GLY 13 H GLY 13 -0.401 7.797 9.111 55 HA2 GLY 13 1HA GLY 13 -1.747 9.713 8.879 56 HA3 GLY 13 2HA GLY 13 -1.588 10.007 10.604 57 H GLU 14 H GLU 14 1.037 9.424 8.317 58 HA GLU 14 HA GLU 14 2.531 11.637 9.257 59 HB2 GLU 14 1HB GLU 14 2.814 9.663 7.041 60 HB3 GLU 14 2HB GLU 14 3.791 11.123 6.975 61 HG2 GLU 14 1HG GLU 14 4.611 10.584 9.270 62 HG3 GLU 14 2HG GLU 14 3.768 9.041 9.143 63 H SER 15 H SER 15 3.345 13.401 7.835 64 HA SER 15 HA SER 15 1.102 14.769 6.647 65 HB2 SER 15 1HB SER 15 2.629 16.053 8.023 66 HB3 SER 15 2HB SER 15 3.995 15.584 7.012 67 HG SER 15 HG SER 15 2.415 17.669 6.713 68 H TYR 16 H TYR 16 1.102 15.678 4.515 69 HA TYR 16 HA TYR 16 1.478 13.956 2.450 70 HB2 TYR 16 1HB TYR 16 0.229 15.989 2.133 71 HB3 TYR 16 2HB TYR 16 1.663 16.973 2.407 72 HD1 TYR 16 1HD TYR 16 0.361 14.337 0.107 73 HD2 TYR 16 2HD TYR 16 2.871 17.738 0.582 74 HE1 TYR 16 1HE TYR 16 0.819 14.328 -2.310 75 HE2 TYR 16 2HE TYR 16 3.336 17.740 -1.833 76 HH TYR 16 HH TYR 16 2.560 15.137 -3.856 77 H ALA 17 H ALA 17 3.257 12.871 1.928 78 HA ALA 17 HA ALA 17 5.863 14.199 2.087 79 HB1 ALA 17 1HB ALA 17 6.549 11.702 1.503 80 HB2 ALA 17 2HB ALA 17 6.167 12.211 3.148 81 HB3 ALA 17 3HB ALA 17 4.952 11.379 2.178 82 H ALA 18 H ALA 18 7.453 13.442 0.323 83 HA ALA 18 HA ALA 18 6.109 13.692 -2.288 84 HB1 ALA 18 1HB ALA 18 7.517 15.632 -1.559 85 HB2 ALA 18 2HB ALA 18 8.919 14.565 -1.649 86 HB3 ALA 18 3HB ALA 18 7.982 14.915 -3.102 87 H ASP 19 H ASP 19 9.143 12.475 -0.854 88 HA ASP 19 HA ASP 19 9.362 10.504 -2.988 89 HB2 ASP 19 1HB ASP 19 11.571 10.029 -2.066 90 HB3 ASP 19 2HB ASP 19 11.369 11.763 -2.298 91 H GLU 20 H GLU 20 7.500 9.262 -2.358 92 HA GLU 20 HA GLU 20 8.185 7.106 -0.598 93 HB2 GLU 20 1HB GLU 20 6.080 9.101 0.199 94 HB3 GLU 20 2HB GLU 20 6.002 7.431 0.741 95 HG2 GLU 20 1HG GLU 20 8.406 7.811 1.571 96 HG3 GLU 20 2HG GLU 20 8.035 9.525 1.391 97 H PHE 21 H PHE 21 6.255 5.541 -0.424 98 HA PHE 21 HA PHE 21 4.782 5.570 -2.977 99 HB2 PHE 21 1HB PHE 21 6.139 3.773 -3.370 100 HB3 PHE 21 2HB PHE 21 6.370 3.438 -1.657 101 HD1 PHE 21 1HD PHE 21 3.292 3.648 -3.746 102 HD2 PHE 21 2HD PHE 21 5.790 1.245 -1.275 103 HE1 PHE 21 1HE PHE 21 1.662 1.810 -3.891 104 HE2 PHE 21 2HE PHE 21 4.165 -0.597 -1.417 105 HZ PHE 21 HZ PHE 21 2.098 -0.316 -2.727 106 H TRP 22 H TRP 22 2.687 5.862 -2.645 107 HA TRP 22 HA TRP 22 1.493 4.922 -0.134 108 HB2 TRP 22 1HB TRP 22 0.452 6.894 -2.180 109 HB3 TRP 22 2HB TRP 22 -0.382 6.437 -0.697 110 HD1 TRP 22 HD TRP 22 3.299 7.552 -1.279 111 HE1 TRP 22 1HE TRP 22 3.803 9.478 0.352 112 HE3 TRP 22 3HE TRP 22 -1.299 7.980 0.914 113 HZ2 TRP 22 2HZ TRP 22 2.432 10.980 2.310 114 HZ3 TRP 22 3HZ TRP 22 -1.619 9.686 2.658 115 HH2 TRP 22 HH TRP 22 0.209 11.153 3.341 116 H ILE 23 H ILE 23 -0.620 3.913 -0.198 117 HA ILE 23 HA ILE 23 -0.982 2.300 -2.635 118 HB ILE 23 HB ILE 23 -1.656 0.494 -1.380 119 HG12 ILE 23 1HG1 ILE 23 -2.302 0.825 1.113 120 HG13 ILE 23 2HG1 ILE 23 -2.474 2.523 0.682 121 HG21 ILE 23 1HG2 ILE 23 -0.150 1.197 0.949 122 HG22 ILE 23 2HG2 ILE 23 0.286 0.120 -0.377 123 HG23 ILE 23 3HG2 ILE 23 0.643 1.843 -0.488 124 HD11 ILE 23 1HD1 ILE 23 -3.852 0.907 -1.230 125 HD12 ILE 23 2HD1 ILE 23 -4.359 0.472 0.403 126 HD13 ILE 23 3HD1 ILE 23 -4.486 2.144 -0.144 127 H CYS 24 H CYS 24 -3.132 1.798 -3.311 128 HA CYS 24 HA CYS 24 -5.136 3.755 -2.394 129 HB2 CYS 24 1HB CYS 24 -4.596 2.709 -5.175 130 HB3 CYS 24 2HB CYS 24 -6.062 3.581 -4.746 131 HG CYS 24 HG CYS 24 -4.974 5.771 -5.555 132 H CYS 25 H CYS 25 -6.583 2.704 -1.197 133 HA CYS 25 HA CYS 25 -7.158 -0.082 -1.562 134 HB2 CYS 25 1HB CYS 25 -7.195 0.908 0.671 135 HB3 CYS 25 2HB CYS 25 -8.487 2.000 0.184 136 H ASP 26 H ASP 26 -9.380 -0.903 -1.843 137 HA ASP 26 HA ASP 26 -10.752 0.624 -3.941 138 HB2 ASP 26 1HB ASP 26 -10.088 -1.571 -4.663 139 HB3 ASP 26 2HB ASP 26 -10.801 -2.314 -3.234 140 H LEU 27 H LEU 27 -11.238 -0.929 -0.834 141 HA LEU 27 HA LEU 27 -14.077 -0.534 -0.800 142 HB2 LEU 27 1HB LEU 27 -12.025 -1.447 1.159 143 HB3 LEU 27 2HB LEU 27 -13.613 -0.961 1.748 144 HG LEU 27 HG LEU 27 -13.496 -2.956 -0.454 145 HD11 LEU 27 1HD1 LEU 27 -13.384 -4.716 1.419 146 HD12 LEU 27 2HD1 LEU 27 -12.612 -3.445 2.365 147 HD13 LEU 27 3HD1 LEU 27 -11.878 -3.989 0.856 148 HD21 LEU 27 1HD2 LEU 27 -15.212 -2.712 2.014 149 HD22 LEU 27 2HD2 LEU 27 -15.465 -3.810 0.657 150 HD23 LEU 27 3HD2 LEU 27 -15.624 -2.068 0.424 151 H CYS 28 H CYS 28 -11.501 0.839 1.256 152 HA CYS 28 HA CYS 28 -13.204 3.059 1.983 153 HB2 CYS 28 1HB CYS 28 -10.312 3.039 2.687 154 HB3 CYS 28 2HB CYS 28 -11.704 3.487 3.667 155 H GLU 29 H GLU 29 -10.403 2.474 -0.057 156 HA GLU 29 HA GLU 29 -9.396 3.724 -1.669 157 HB2 GLU 29 1HB GLU 29 -12.016 5.210 -1.483 158 HB3 GLU 29 2HB GLU 29 -10.773 5.604 -2.663 159 HG2 GLU 29 1HG GLU 29 -10.929 3.124 -3.333 160 HG3 GLU 29 2HG GLU 29 -12.459 3.144 -2.458 161 H MET 30 H MET 30 -8.729 4.260 1.010 162 HA MET 30 HA MET 30 -8.523 7.154 1.246 163 HB2 MET 30 1HB MET 30 -7.994 4.834 3.052 164 HB3 MET 30 2HB MET 30 -7.179 6.358 3.378 165 HG2 MET 30 1HG MET 30 -9.279 7.498 3.599 166 HG3 MET 30 2HG MET 30 -10.158 6.054 3.103 167 HE1 MET 30 1HE MET 30 -7.430 6.280 6.657 168 HE2 MET 30 2HE MET 30 -7.547 7.406 5.305 169 HE3 MET 30 3HE MET 30 -8.557 7.635 6.733 170 H TRP 31 H TRP 31 -6.178 7.684 2.340 171 HA TRP 31 HA TRP 31 -4.221 6.821 0.314 172 HB2 TRP 31 1HB TRP 31 -4.695 9.452 1.667 173 HB3 TRP 31 2HB TRP 31 -3.079 9.052 1.092 174 HD1 TRP 31 HD TRP 31 -6.261 10.531 -0.054 175 HE1 TRP 31 1HE TRP 31 -6.254 10.824 -2.611 176 HE3 TRP 31 3HE TRP 31 -2.174 7.676 -1.187 177 HZ2 TRP 31 2HZ TRP 31 -4.720 9.958 -4.817 178 HZ3 TRP 31 3HZ TRP 31 -1.504 7.459 -3.545 179 HH2 TRP 31 HH TRP 31 -2.752 8.577 -5.321 180 H PHE 32 H PHE 32 -3.273 5.116 1.358 181 HA PHE 32 HA PHE 32 -2.109 5.637 4.008 182 HB2 PHE 32 1HB PHE 32 -2.592 2.992 2.619 183 HB3 PHE 32 2HB PHE 32 -1.947 3.199 4.244 184 HD1 PHE 32 1HD PHE 32 -3.523 4.826 5.737 185 HD2 PHE 32 2HD PHE 32 -4.788 2.379 2.492 186 HE1 PHE 32 1HE PHE 32 -5.809 4.805 6.648 187 HE2 PHE 32 2HE PHE 32 -7.075 2.355 3.396 188 HZ PHE 32 HZ PHE 32 -7.589 3.569 5.477 189 H HIS 33 H HIS 33 -0.065 4.038 4.252 190 HA HIS 33 HA HIS 33 1.744 4.779 2.049 191 HB2 HIS 33 1HB HIS 33 2.326 4.341 4.984 192 HB3 HIS 33 2HB HIS 33 3.559 4.630 3.761 193 HD2 HIS 33 2HD HIS 33 3.615 7.278 2.735 194 HE1 HIS 33 1HE HIS 33 1.078 8.858 5.746 195 HE2 HIS 33 2HE HIS 33 2.592 9.398 3.807 196 H GLY 34 H GLY 34 2.792 3.225 0.963 197 HA2 GLY 34 1HA GLY 34 2.107 0.622 0.846 198 HA3 GLY 34 2HA GLY 34 3.744 1.163 0.504 199 H LYS 35 H LYS 35 4.886 1.741 2.785 200 HA LYS 35 HA LYS 35 5.448 -0.721 3.975 201 HB2 LYS 35 1HB LYS 35 6.772 0.506 5.568 202 HB3 LYS 35 2HB LYS 35 6.947 1.269 3.993 203 HG2 LYS 35 1HG LYS 35 5.544 3.073 4.609 204 HG3 LYS 35 2HG LYS 35 5.016 2.248 6.077 205 HD2 LYS 35 1HD LYS 35 6.576 3.698 6.938 206 HD3 LYS 35 2HD LYS 35 7.581 2.278 6.637 207 HE2 LYS 35 1HE LYS 35 8.134 3.289 4.396 208 HE3 LYS 35 2HE LYS 35 7.335 4.760 4.949 209 HZ1 LYS 35 1HZ LYS 35 8.905 4.855 6.799 210 HZ2 LYS 35 2HZ LYS 35 9.704 4.895 5.309 211 HZ3 LYS 35 3HZ LYS 35 9.689 3.471 6.222 212 H CYS 36 H CYS 36 3.214 1.832 4.913 213 HA CYS 36 HA CYS 36 2.575 0.836 7.474 214 HB2 CYS 36 1HB CYS 36 1.201 2.684 5.547 215 HB3 CYS 36 2HB CYS 36 0.385 2.172 7.021 216 H VAL 37 H VAL 37 1.105 0.324 4.291 217 HA VAL 37 HA VAL 37 -0.931 -1.427 5.327 218 HB VAL 37 HB VAL 37 -1.554 -1.801 3.004 219 HG11 VAL 37 1HG1 VAL 37 -1.624 0.628 4.349 220 HG12 VAL 37 2HG1 VAL 37 -1.112 1.042 2.712 221 HG13 VAL 37 3HG1 VAL 37 -2.615 0.155 2.969 222 HG21 VAL 37 1HG2 VAL 37 -0.324 -0.987 1.153 223 HG22 VAL 37 2HG2 VAL 37 0.765 -0.064 2.189 224 HG23 VAL 37 3HG2 VAL 37 0.838 -1.826 2.182 225 H LYS 38 H LYS 38 2.202 -1.909 5.269 226 HA LYS 38 HA LYS 38 3.561 -3.732 5.283 227 HB2 LYS 38 1HB LYS 38 0.897 -5.154 5.284 228 HB3 LYS 38 2HB LYS 38 2.438 -5.988 5.437 229 HG2 LYS 38 1HG LYS 38 2.905 -4.618 7.462 230 HG3 LYS 38 2HG LYS 38 1.268 -3.969 7.337 231 HD2 LYS 38 1HD LYS 38 0.929 -5.700 8.808 232 HD3 LYS 38 2HD LYS 38 0.607 -6.511 7.274 233 HE2 LYS 38 1HE LYS 38 2.019 -7.947 8.532 234 HE3 LYS 38 2HE LYS 38 3.015 -7.229 7.266 235 HZ1 LYS 38 1HZ LYS 38 2.934 -6.455 10.130 236 HZ2 LYS 38 2HZ LYS 38 3.761 -5.580 8.942 237 HZ3 LYS 38 3HZ LYS 38 4.225 -7.167 9.300 238 H ILE 39 H ILE 39 3.315 -2.522 2.863 239 HA ILE 39 HA ILE 39 3.599 -4.797 1.037 240 HB ILE 39 HB ILE 39 1.890 -2.368 0.567 241 HG12 ILE 39 1HG1 ILE 39 1.370 -5.290 -0.003 242 HG13 ILE 39 2HG1 ILE 39 0.928 -4.502 1.507 243 HG21 ILE 39 1HG2 ILE 39 1.750 -3.229 -1.822 244 HG22 ILE 39 2HG2 ILE 39 3.225 -2.378 -1.367 245 HG23 ILE 39 3HG2 ILE 39 3.218 -4.139 -1.464 246 HD11 ILE 39 1HD1 ILE 39 -0.078 -3.737 -1.223 247 HD12 ILE 39 2HD1 ILE 39 -0.962 -4.675 -0.020 248 HD13 ILE 39 3HD1 ILE 39 -0.545 -2.993 0.306 249 H THR 40 H THR 40 5.077 -4.497 -0.639 250 HA THR 40 HA THR 40 6.965 -2.309 -0.186 251 HB THR 40 HB THR 40 8.483 -3.627 -1.678 252 HG1 THR 40 1HG THR 40 7.518 -5.115 -2.828 253 HG21 THR 40 1HG2 THR 40 7.764 -5.634 0.329 254 HG22 THR 40 2HG2 THR 40 7.904 -3.998 0.974 255 HG23 THR 40 3HG2 THR 40 9.262 -4.729 0.118 256 HA PRO 41 HA PRO 41 5.923 -0.117 -3.847 257 HB2 PRO 41 1HB PRO 41 8.344 0.884 -4.556 258 HB3 PRO 41 2HB PRO 41 7.427 1.482 -3.169 259 HG2 PRO 41 1HG PRO 41 9.712 -0.450 -3.237 260 HG3 PRO 41 2HG PRO 41 9.414 0.891 -2.116 261 HD2 PRO 41 1HD PRO 41 8.879 -1.686 -1.480 262 HD3 PRO 41 2HD PRO 41 7.918 -0.329 -0.856 263 H ALA 42 H ALA 42 8.146 -2.733 -3.916 264 HA ALA 42 HA ALA 42 8.356 -2.720 -6.826 265 HB1 ALA 42 1HB ALA 42 10.056 -4.292 -6.622 266 HB2 ALA 42 2HB ALA 42 10.273 -3.276 -5.196 267 HB3 ALA 42 3HB ALA 42 9.487 -4.848 -5.047 268 H ARG 43 H ARG 43 6.615 -4.285 -4.275 269 HA ARG 43 HA ARG 43 5.713 -6.465 -5.965 270 HB2 ARG 43 1HB ARG 43 6.109 -6.976 -3.640 271 HB3 ARG 43 2HB ARG 43 5.035 -5.681 -3.128 272 HG2 ARG 43 1HG ARG 43 3.195 -6.947 -4.353 273 HG3 ARG 43 2HG ARG 43 4.326 -8.300 -4.402 274 HD2 ARG 43 1HD ARG 43 4.548 -7.846 -1.846 275 HD3 ARG 43 2HD ARG 43 3.009 -7.010 -2.049 276 HE ARG 43 HE ARG 43 3.086 -9.684 -3.134 277 HH11 ARG 43 2HH1 ARG 43 2.396 -7.700 -0.358 278 HH12 ARG 43 1HH1 ARG 43 1.338 -8.861 0.372 279 HH21 ARG 43 2HH2 ARG 43 1.694 -11.221 -2.183 280 HH22 ARG 43 1HH2 ARG 43 0.940 -10.864 -0.666 281 H ALA 44 H ALA 44 4.540 -3.406 -4.735 282 HA ALA 44 HA ALA 44 1.836 -3.557 -5.085 283 HB1 ALA 44 1HB ALA 44 3.817 -1.374 -5.348 284 HB2 ALA 44 2HB ALA 44 2.204 -1.079 -5.997 285 HB3 ALA 44 3HB ALA 44 2.406 -1.508 -4.299 286 H GLU 45 H GLU 45 4.249 -2.887 -7.608 287 HA GLU 45 HA GLU 45 2.666 -2.374 -9.767 288 HB2 GLU 45 1HB GLU 45 4.478 -3.796 -11.046 289 HB3 GLU 45 2HB GLU 45 4.898 -2.265 -10.293 290 HG2 GLU 45 1HG GLU 45 5.990 -3.300 -8.513 291 HG3 GLU 45 2HG GLU 45 5.220 -4.854 -8.827 292 H HIS 46 H HIS 46 3.098 -5.422 -8.138 293 HA HIS 46 HA HIS 46 1.709 -6.906 -10.216 294 HB2 HIS 46 1HB HIS 46 2.707 -7.827 -7.512 295 HB3 HIS 46 2HB HIS 46 2.109 -8.865 -8.803 296 HD1 HIS 46 1HD HIS 46 3.703 -9.396 -10.728 297 HD2 HIS 46 2HD HIS 46 5.288 -6.752 -7.942 298 HE1 HIS 46 1HE HIS 46 6.151 -9.223 -11.281 299 HE2 HIS 46 2HE HIS 46 7.105 -7.685 -9.529 300 H ILE 47 H ILE 47 1.122 -5.614 -7.008 301 HA ILE 47 HA ILE 47 -1.365 -6.933 -6.590 302 HB ILE 47 HB ILE 47 -0.251 -4.426 -5.327 303 HG12 ILE 47 1HG1 ILE 47 -0.414 -7.247 -4.249 304 HG13 ILE 47 2HG1 ILE 47 1.032 -6.544 -4.966 305 HG21 ILE 47 1HG2 ILE 47 -2.489 -6.116 -4.248 306 HG22 ILE 47 2HG2 ILE 47 -1.967 -4.516 -3.722 307 HG23 ILE 47 3HG2 ILE 47 -2.777 -4.712 -5.276 308 HD11 ILE 47 1HD1 ILE 47 1.153 -6.468 -2.557 309 HD12 ILE 47 2HD1 ILE 47 1.045 -4.833 -3.210 310 HD13 ILE 47 3HD1 ILE 47 -0.373 -5.589 -2.483 311 H LYS 48 H LYS 48 -3.404 -6.343 -7.098 312 HA LYS 48 HA LYS 48 -3.709 -4.028 -8.869 313 HB2 LYS 48 1HB LYS 48 -5.164 -6.607 -8.522 314 HB3 LYS 48 2HB LYS 48 -6.067 -5.223 -9.123 315 HG2 LYS 48 1HG LYS 48 -3.517 -6.227 -10.365 316 HG3 LYS 48 2HG LYS 48 -5.132 -6.709 -10.890 317 HD2 LYS 48 1HD LYS 48 -4.550 -3.803 -10.675 318 HD3 LYS 48 2HD LYS 48 -3.826 -4.691 -12.018 319 HE2 LYS 48 1HE LYS 48 -5.807 -4.072 -12.976 320 HE3 LYS 48 2HE LYS 48 -6.280 -5.619 -12.276 321 HZ1 LYS 48 1HZ LYS 48 -7.181 -2.973 -11.633 322 HZ2 LYS 48 2HZ LYS 48 -6.722 -3.853 -10.264 323 HZ3 LYS 48 3HZ LYS 48 -7.903 -4.468 -11.307 324 H GLN 49 H GLN 49 -5.731 -5.643 -6.409 325 HA GLN 49 HA GLN 49 -6.363 -2.996 -5.303 326 HB2 GLN 49 1HB GLN 49 -8.246 -5.060 -6.339 327 HB3 GLN 49 2HB GLN 49 -8.723 -4.154 -4.909 328 HG2 GLN 49 1HG GLN 49 -9.626 -2.850 -6.542 329 HG3 GLN 49 2HG GLN 49 -8.044 -2.091 -6.373 330 HE21 GLN 49 1HE2 GLN 49 -7.913 -1.302 -8.425 331 HE22 GLN 49 2HE2 GLN 49 -7.778 -2.303 -9.826 332 H TYR 50 H TYR 50 -4.898 -3.482 -3.616 333 HA TYR 50 HA TYR 50 -5.242 -5.817 -1.986 334 HB2 TYR 50 1HB TYR 50 -3.037 -4.944 -2.094 335 HB3 TYR 50 2HB TYR 50 -3.580 -3.317 -1.701 336 HD1 TYR 50 1HD TYR 50 -3.232 -6.738 -0.289 337 HD2 TYR 50 2HD TYR 50 -3.616 -2.579 0.524 338 HE1 TYR 50 1HE TYR 50 -2.769 -7.166 2.088 339 HE2 TYR 50 2HE TYR 50 -3.153 -2.996 2.904 340 HH TYR 50 HH TYR 50 -1.914 -5.924 4.050 341 H LYS 51 H LYS 51 -5.965 -5.892 0.171 342 HA LYS 51 HA LYS 51 -8.026 -3.904 0.768 343 HB2 LYS 51 1HB LYS 51 -8.509 -6.394 0.745 344 HB3 LYS 51 2HB LYS 51 -7.527 -6.514 2.199 345 HG2 LYS 51 1HG LYS 51 -9.041 -5.017 3.370 346 HG3 LYS 51 2HG LYS 51 -10.013 -4.838 1.907 347 HD2 LYS 51 1HD LYS 51 -10.176 -7.430 2.014 348 HD3 LYS 51 2HD LYS 51 -9.707 -7.214 3.702 349 HE2 LYS 51 1HE LYS 51 -11.612 -5.783 4.089 350 HE3 LYS 51 2HE LYS 51 -12.042 -5.836 2.380 351 HZ1 LYS 51 1HZ LYS 51 -12.059 -8.411 2.898 352 HZ2 LYS 51 2HZ LYS 51 -13.419 -7.439 3.156 353 HZ3 LYS 51 3HZ LYS 51 -12.418 -7.855 4.455 354 H CYS 52 H CYS 52 -7.060 -2.196 1.747 355 HA CYS 52 HA CYS 52 -4.873 -2.092 3.370 356 HB2 CYS 52 1HB CYS 52 -5.594 0.020 4.081 357 HB3 CYS 52 2HB CYS 52 -6.397 -0.186 2.528 358 HA PRO 53 HA PRO 53 -5.750 -4.124 7.161 359 HB2 PRO 53 1HB PRO 53 -4.319 -2.614 8.905 360 HB3 PRO 53 2HB PRO 53 -3.566 -3.714 7.745 361 HG2 PRO 53 1HG PRO 53 -3.940 -0.749 7.575 362 HG3 PRO 53 2HG PRO 53 -2.520 -1.723 7.154 363 HD2 PRO 53 1HD PRO 53 -4.255 -0.796 5.293 364 HD3 PRO 53 2HD PRO 53 -3.391 -2.336 5.109 365 H SER 54 H SER 54 -6.956 -1.100 6.450 366 HA SER 54 HA SER 54 -8.094 -0.537 9.054 367 HB2 SER 54 1HB SER 54 -8.906 0.855 6.518 368 HB3 SER 54 2HB SER 54 -8.823 1.497 8.158 369 HG SER 54 HG SER 54 -6.428 0.591 7.125 370 H CYS 55 H CYS 55 -9.164 -1.729 5.911 371 HA CYS 55 HA CYS 55 -11.896 -2.035 6.873 372 HB2 CYS 55 1HB CYS 55 -12.249 -2.941 4.510 373 HB3 CYS 55 2HB CYS 55 -11.812 -1.242 4.650 374 H SER 56 H SER 56 -9.234 -4.056 5.683 375 HA SER 56 HA SER 56 -10.481 -6.535 5.843 376 HB2 SER 56 1HB SER 56 -8.078 -5.799 5.001 377 HB3 SER 56 2HB SER 56 -7.603 -6.315 6.619 378 HG SER 56 HG SER 56 -8.783 -8.318 6.085 379 H ASN 57 H ASN 57 -9.046 -4.556 8.349 380 HA ASN 57 HA ASN 57 -9.305 -6.651 10.344 381 HB2 ASN 57 1HB ASN 57 -7.393 -4.967 10.268 382 HB3 ASN 57 2HB ASN 57 -8.554 -3.769 10.835 383 HD21 ASN 57 1HD2 ASN 57 -8.601 -3.477 12.933 384 HD22 ASN 57 2HD2 ASN 57 -8.153 -4.633 14.137 385 H LYS 58 H LYS 58 -11.731 -5.882 9.114 386 HA LYS 58 HA LYS 58 -13.113 -4.211 11.065 387 HB2 LYS 58 1HB LYS 58 -13.712 -5.226 8.334 388 HB3 LYS 58 2HB LYS 58 -15.079 -4.922 9.399 389 HG2 LYS 58 1HG LYS 58 -14.050 -2.615 9.772 390 HG3 LYS 58 2HG LYS 58 -13.039 -2.980 8.371 391 HD2 LYS 58 1HD LYS 58 -15.029 -3.318 7.006 392 HD3 LYS 58 2HD LYS 58 -16.058 -3.011 8.407 393 HE2 LYS 58 1HE LYS 58 -14.825 -0.753 8.541 394 HE3 LYS 58 2HE LYS 58 -14.314 -1.100 6.889 395 HZ1 LYS 58 1HZ LYS 58 -16.481 0.231 7.332 396 HZ2 LYS 58 2HZ LYS 58 -17.163 -1.296 7.582 397 HZ3 LYS 58 3HZ LYS 58 -16.443 -0.924 6.097 398 H SER 59 H SER 59 -13.128 -7.529 9.843 399 HA SER 59 HA SER 59 -15.278 -8.381 11.524 400 HB2 SER 59 1HB SER 59 -13.269 -9.812 9.799 401 HB3 SER 59 2HB SER 59 -14.359 -10.708 10.856 402 HG SER 59 HG SER 59 -15.521 -10.556 9.055 403 H GLY 60 H GLY 60 -14.960 -10.240 13.083 404 HA2 GLY 60 1HA GLY 60 -13.210 -9.399 15.160 405 HA3 GLY 60 2HA GLY 60 -14.184 -10.862 15.157 406 HA PRO 61 HA PRO 61 -10.026 -12.594 15.126 407 HB2 PRO 61 1HB PRO 61 -10.817 -15.073 15.899 408 HB3 PRO 61 2HB PRO 61 -10.603 -13.736 17.035 409 HG2 PRO 61 1HG PRO 61 -13.119 -14.789 15.801 410 HG3 PRO 61 2HG PRO 61 -12.817 -14.293 17.477 411 HD2 PRO 61 1HD PRO 61 -14.084 -12.700 15.691 412 HD3 PRO 61 2HD PRO 61 -13.060 -12.053 16.989 413 H SER 62 H SER 62 -12.608 -12.959 13.089 414 HA SER 62 HA SER 62 -12.535 -15.225 11.692 415 HB2 SER 62 1HB SER 62 -12.327 -12.492 10.406 416 HB3 SER 62 2HB SER 62 -12.931 -13.954 9.627 417 HG SER 62 HG SER 62 -14.534 -13.984 11.371 418 H SER 63 H SER 63 -11.232 -16.361 10.333 419 HA SER 63 HA SER 63 -8.512 -16.330 10.593 420 HB2 SER 63 1HB SER 63 -10.090 -18.042 9.414 421 HB3 SER 63 2HB SER 63 -9.715 -17.122 7.957 422 HG SER 63 HG SER 63 -7.594 -17.915 9.591 423 H GLY 64 H GLY 64 -6.772 -15.684 9.205 424 HA2 GLY 64 1HA GLY 64 -6.585 -14.314 6.957 425 HA3 GLY 64 2HA GLY 64 -7.278 -13.074 7.991 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -7.289 28.731 12.430 2 HA2 GLY 1 1HA GLY 1 -7.157 31.087 11.363 3 HA3 GLY 1 2HA GLY 1 -5.430 30.846 11.580 4 H SER 2 H SER 2 -4.351 29.992 9.933 5 HA SER 2 HA SER 2 -5.880 28.857 7.715 6 HB2 SER 2 1HB SER 2 -4.149 30.725 7.424 7 HB3 SER 2 2HB SER 2 -2.929 29.483 7.705 8 HG SER 2 HG SER 2 -3.420 29.805 5.468 9 H SER 3 H SER 3 -6.122 26.732 7.657 10 HA SER 3 HA SER 3 -3.858 25.035 8.473 11 HB2 SER 3 1HB SER 3 -5.535 24.911 10.229 12 HB3 SER 3 2HB SER 3 -6.793 24.561 9.045 13 HG SER 3 HG SER 3 -5.848 22.710 10.203 14 H GLY 4 H GLY 4 -3.909 22.853 7.511 15 HA2 GLY 4 1HA GLY 4 -5.610 22.208 5.344 16 HA3 GLY 4 2HA GLY 4 -4.132 22.935 4.733 17 H SER 5 H SER 5 -5.559 20.071 5.278 18 HA SER 5 HA SER 5 -2.977 18.717 5.705 19 HB2 SER 5 1HB SER 5 -5.653 18.196 6.924 20 HB3 SER 5 2HB SER 5 -4.608 16.817 6.584 21 HG SER 5 HG SER 5 -2.958 18.007 7.783 22 H SER 6 H SER 6 -2.707 18.649 3.422 23 HA SER 6 HA SER 6 -4.628 17.026 1.925 24 HB2 SER 6 1HB SER 6 -2.354 18.824 1.103 25 HB3 SER 6 2HB SER 6 -3.101 17.703 -0.035 26 HG SER 6 HG SER 6 -4.968 18.809 0.073 27 H GLY 7 H GLY 7 -4.061 15.036 2.979 28 HA2 GLY 7 1HA GLY 7 -3.007 12.991 2.114 29 HA3 GLY 7 2HA GLY 7 -1.522 13.917 1.962 30 H GLN 8 H GLN 8 -3.860 12.719 4.342 31 HA GLN 8 HA GLN 8 -1.660 12.598 6.298 32 HB2 GLN 8 1HB GLN 8 -3.685 14.151 6.732 33 HB3 GLN 8 2HB GLN 8 -4.564 12.664 7.065 34 HG2 GLN 8 1HG GLN 8 -1.978 13.187 8.452 35 HG3 GLN 8 2HG GLN 8 -3.446 13.996 8.998 36 HE21 GLN 8 1HE2 GLN 8 -2.303 12.442 10.783 37 HE22 GLN 8 2HE2 GLN 8 -3.153 10.952 10.986 38 H CYS 9 H CYS 9 -0.980 10.525 5.824 39 HA CYS 9 HA CYS 9 -2.525 8.293 5.317 40 HB2 CYS 9 1HB CYS 9 -0.194 8.092 4.993 41 HB3 CYS 9 2HB CYS 9 0.163 8.603 6.640 42 H GLY 10 H GLY 10 -3.661 6.848 6.507 43 HA2 GLY 10 1HA GLY 10 -4.576 7.617 9.082 44 HA3 GLY 10 2HA GLY 10 -4.921 6.094 8.275 45 H ALA 11 H ALA 11 -2.281 5.153 7.991 46 HA ALA 11 HA ALA 11 -1.896 3.824 10.406 47 HB1 ALA 11 1HB ALA 11 0.583 3.731 9.250 48 HB2 ALA 11 2HB ALA 11 -0.760 2.647 8.881 49 HB3 ALA 11 3HB ALA 11 -0.466 4.063 7.871 50 H CYS 12 H CYS 12 0.046 6.495 9.050 51 HA CYS 12 HA CYS 12 0.888 7.140 11.800 52 HB2 CYS 12 1HB CYS 12 3.009 7.939 10.899 53 HB3 CYS 12 2HB CYS 12 2.748 6.260 10.439 54 H GLY 13 H GLY 13 0.301 8.490 8.563 55 HA2 GLY 13 1HA GLY 13 -0.830 10.441 8.012 56 HA3 GLY 13 2HA GLY 13 -1.031 10.773 9.726 57 H GLU 14 H GLU 14 1.569 10.603 7.291 58 HA GLU 14 HA GLU 14 3.024 12.688 8.715 59 HB2 GLU 14 1HB GLU 14 3.693 10.838 6.447 60 HB3 GLU 14 2HB GLU 14 4.687 12.252 6.767 61 HG2 GLU 14 1HG GLU 14 4.845 11.370 9.161 62 HG3 GLU 14 2HG GLU 14 4.224 9.857 8.504 63 H SER 15 H SER 15 4.103 14.380 7.254 64 HA SER 15 HA SER 15 2.112 16.021 6.163 65 HB2 SER 15 1HB SER 15 3.791 17.575 5.788 66 HB3 SER 15 2HB SER 15 4.537 16.566 7.028 67 HG SER 15 HG SER 15 5.950 15.873 5.619 68 H TYR 16 H TYR 16 2.060 16.877 3.928 69 HA TYR 16 HA TYR 16 1.507 14.897 2.067 70 HB2 TYR 16 1HB TYR 16 0.567 17.060 1.741 71 HB3 TYR 16 2HB TYR 16 2.153 17.823 1.713 72 HD1 TYR 16 1HD TYR 16 0.301 15.149 -0.140 73 HD2 TYR 16 2HD TYR 16 2.952 18.471 -0.347 74 HE1 TYR 16 1HE TYR 16 0.342 14.956 -2.592 75 HE2 TYR 16 2HE TYR 16 2.999 18.288 -2.799 76 HH TYR 16 HH TYR 16 2.380 17.082 -4.568 77 H ALA 17 H ALA 17 3.045 13.405 1.623 78 HA ALA 17 HA ALA 17 5.657 14.364 0.665 79 HB1 ALA 17 1HB ALA 17 4.852 11.682 1.780 80 HB2 ALA 17 2HB ALA 17 6.442 12.048 1.108 81 HB3 ALA 17 3HB ALA 17 5.878 12.894 2.549 82 H ALA 18 H ALA 18 6.308 13.957 -1.372 83 HA ALA 18 HA ALA 18 4.392 12.644 -3.152 84 HB1 ALA 18 1HB ALA 18 5.181 14.931 -3.690 85 HB2 ALA 18 2HB ALA 18 6.812 14.286 -3.882 86 HB3 ALA 18 3HB ALA 18 5.521 13.756 -4.961 87 H ASP 19 H ASP 19 7.885 12.648 -2.465 88 HA ASP 19 HA ASP 19 8.705 10.642 -4.161 89 HB2 ASP 19 1HB ASP 19 9.779 10.801 -1.358 90 HB3 ASP 19 2HB ASP 19 10.642 10.461 -2.855 91 H GLU 20 H GLU 20 7.564 10.254 -0.807 92 HA GLU 20 HA GLU 20 7.772 7.526 -0.554 93 HB2 GLU 20 1HB GLU 20 5.911 9.559 0.592 94 HB3 GLU 20 2HB GLU 20 5.553 7.858 0.856 95 HG2 GLU 20 1HG GLU 20 6.844 8.923 2.684 96 HG3 GLU 20 2HG GLU 20 7.630 7.515 1.971 97 H PHE 21 H PHE 21 6.189 5.816 -0.715 98 HA PHE 21 HA PHE 21 4.465 6.160 -3.070 99 HB2 PHE 21 1HB PHE 21 5.819 4.400 -3.648 100 HB3 PHE 21 2HB PHE 21 6.042 3.885 -1.979 101 HD1 PHE 21 1HD PHE 21 3.391 4.086 -4.591 102 HD2 PHE 21 2HD PHE 21 4.992 1.968 -1.264 103 HE1 PHE 21 1HE PHE 21 1.722 2.309 -4.924 104 HE2 PHE 21 2HE PHE 21 3.326 0.188 -1.592 105 HZ PHE 21 HZ PHE 21 1.689 0.356 -3.425 106 H TRP 22 H TRP 22 2.333 6.133 -2.833 107 HA TRP 22 HA TRP 22 1.227 5.219 -0.268 108 HB2 TRP 22 1HB TRP 22 -0.064 6.998 -2.346 109 HB3 TRP 22 2HB TRP 22 -0.688 6.637 -0.739 110 HD1 TRP 22 HD TRP 22 2.552 8.222 -2.202 111 HE1 TRP 22 1HE TRP 22 3.215 10.191 -0.683 112 HE3 TRP 22 3HE TRP 22 -1.144 7.820 1.308 113 HZ2 TRP 22 2HZ TRP 22 2.293 11.413 1.689 114 HZ3 TRP 22 3HZ TRP 22 -1.182 9.428 3.170 115 HH2 TRP 22 HH TRP 22 0.502 11.186 3.355 116 H ILE 23 H ILE 23 -0.712 3.977 -0.240 117 HA ILE 23 HA ILE 23 -1.008 2.296 -2.632 118 HB ILE 23 HB ILE 23 -1.612 0.514 -1.300 119 HG12 ILE 23 1HG1 ILE 23 -2.245 0.952 1.194 120 HG13 ILE 23 2HG1 ILE 23 -2.537 2.601 0.650 121 HG21 ILE 23 1HG2 ILE 23 0.357 0.280 -0.304 122 HG22 ILE 23 2HG2 ILE 23 0.622 2.015 -0.476 123 HG23 ILE 23 3HG2 ILE 23 -0.131 1.379 0.986 124 HD11 ILE 23 1HD1 ILE 23 -3.787 0.485 -0.964 125 HD12 ILE 23 2HD1 ILE 23 -4.405 0.680 0.676 126 HD13 ILE 23 3HD1 ILE 23 -4.419 2.045 -0.440 127 H CYS 24 H CYS 24 -3.121 1.626 -3.293 128 HA CYS 24 HA CYS 24 -5.236 3.525 -2.517 129 HB2 CYS 24 1HB CYS 24 -4.407 3.864 -4.827 130 HB3 CYS 24 2HB CYS 24 -4.844 2.203 -5.210 131 HG CYS 24 HG CYS 24 -7.601 3.150 -4.155 132 H CYS 25 H CYS 25 -6.670 2.517 -1.275 133 HA CYS 25 HA CYS 25 -7.105 -0.329 -1.469 134 HB2 CYS 25 1HB CYS 25 -7.095 0.710 0.728 135 HB3 CYS 25 2HB CYS 25 -8.406 1.786 0.258 136 H ASP 26 H ASP 26 -9.308 -1.233 -1.625 137 HA ASP 26 HA ASP 26 -10.727 0.022 -3.837 138 HB2 ASP 26 1HB ASP 26 -10.494 -2.213 -4.341 139 HB3 ASP 26 2HB ASP 26 -10.626 -2.716 -2.658 140 H LEU 27 H LEU 27 -11.301 -1.004 -0.509 141 HA LEU 27 HA LEU 27 -14.066 -0.235 -0.534 142 HB2 LEU 27 1HB LEU 27 -12.140 -1.105 1.590 143 HB3 LEU 27 2HB LEU 27 -13.733 -0.483 2.014 144 HG LEU 27 HG LEU 27 -13.565 -2.721 0.057 145 HD11 LEU 27 1HD1 LEU 27 -12.995 -4.334 1.528 146 HD12 LEU 27 2HD1 LEU 27 -13.696 -3.483 2.904 147 HD13 LEU 27 3HD1 LEU 27 -12.111 -3.012 2.291 148 HD21 LEU 27 1HD2 LEU 27 -15.715 -3.169 0.737 149 HD22 LEU 27 2HD2 LEU 27 -15.655 -1.418 0.940 150 HD23 LEU 27 3HD2 LEU 27 -15.470 -2.475 2.340 151 H CYS 28 H CYS 28 -11.548 0.920 1.693 152 HA CYS 28 HA CYS 28 -12.849 3.483 1.900 153 HB2 CYS 28 1HB CYS 28 -11.295 3.965 3.631 154 HB3 CYS 28 2HB CYS 28 -11.706 2.262 3.809 155 H GLU 29 H GLU 29 -10.334 2.110 0.018 156 HA GLU 29 HA GLU 29 -8.659 3.032 -1.276 157 HB2 GLU 29 1HB GLU 29 -9.564 4.390 -3.047 158 HB3 GLU 29 2HB GLU 29 -10.752 3.169 -2.613 159 HG2 GLU 29 1HG GLU 29 -11.869 4.905 -1.189 160 HG3 GLU 29 2HG GLU 29 -10.779 6.089 -1.908 161 H MET 30 H MET 30 -8.440 4.074 1.283 162 HA MET 30 HA MET 30 -8.293 6.942 1.192 163 HB2 MET 30 1HB MET 30 -7.701 4.822 3.192 164 HB3 MET 30 2HB MET 30 -6.881 6.365 3.389 165 HG2 MET 30 1HG MET 30 -9.828 6.326 2.965 166 HG3 MET 30 2HG MET 30 -9.172 5.912 4.547 167 HE1 MET 30 1HE MET 30 -7.881 9.040 6.040 168 HE2 MET 30 2HE MET 30 -8.045 7.284 6.070 169 HE3 MET 30 3HE MET 30 -6.735 8.033 5.155 170 H TRP 31 H TRP 31 -5.998 7.710 2.290 171 HA TRP 31 HA TRP 31 -3.984 6.919 0.295 172 HB2 TRP 31 1HB TRP 31 -2.967 9.210 1.147 173 HB3 TRP 31 2HB TRP 31 -4.238 9.174 -0.072 174 HD1 TRP 31 HD TRP 31 -4.821 8.766 3.722 175 HE1 TRP 31 1HE TRP 31 -6.339 10.689 4.511 176 HE3 TRP 31 3HE TRP 31 -5.071 11.441 -0.628 177 HZ2 TRP 31 2HZ TRP 31 -7.490 13.030 3.433 178 HZ3 TRP 31 3HZ TRP 31 -6.402 13.510 -0.665 179 HH2 TRP 31 HH TRP 31 -7.586 14.286 1.324 180 H PHE 32 H PHE 32 -3.005 5.227 1.360 181 HA PHE 32 HA PHE 32 -1.796 5.831 3.974 182 HB2 PHE 32 1HB PHE 32 -2.264 3.129 2.697 183 HB3 PHE 32 2HB PHE 32 -1.641 3.420 4.318 184 HD1 PHE 32 1HD PHE 32 -3.202 4.873 5.854 185 HD2 PHE 32 2HD PHE 32 -4.504 2.697 2.436 186 HE1 PHE 32 1HE PHE 32 -5.498 4.859 6.740 187 HE2 PHE 32 2HE PHE 32 -6.801 2.681 3.315 188 HZ PHE 32 HZ PHE 32 -7.301 3.764 5.470 189 H HIS 33 H HIS 33 0.266 4.271 4.227 190 HA HIS 33 HA HIS 33 2.023 4.973 1.975 191 HB2 HIS 33 1HB HIS 33 2.554 4.636 4.922 192 HB3 HIS 33 2HB HIS 33 3.858 4.651 3.738 193 HD2 HIS 33 2HD HIS 33 3.168 7.186 1.947 194 HE1 HIS 33 1HE HIS 33 2.694 9.305 5.591 195 HE2 HIS 33 2HE HIS 33 2.959 9.495 3.094 196 H GLY 34 H GLY 34 2.798 3.383 0.757 197 HA2 GLY 34 1HA GLY 34 2.155 0.791 0.724 198 HA3 GLY 34 2HA GLY 34 3.761 1.326 0.251 199 H LYS 35 H LYS 35 4.934 2.018 2.582 200 HA LYS 35 HA LYS 35 5.635 -0.481 3.691 201 HB2 LYS 35 1HB LYS 35 7.277 1.242 3.692 202 HB3 LYS 35 2HB LYS 35 6.209 2.356 4.535 203 HG2 LYS 35 1HG LYS 35 7.901 1.549 6.043 204 HG3 LYS 35 2HG LYS 35 6.325 0.920 6.531 205 HD2 LYS 35 1HD LYS 35 7.668 -0.956 6.696 206 HD3 LYS 35 2HD LYS 35 6.989 -1.131 5.076 207 HE2 LYS 35 1HE LYS 35 9.545 0.357 5.374 208 HE3 LYS 35 2HE LYS 35 9.583 -1.397 5.547 209 HZ1 LYS 35 1HZ LYS 35 8.212 -1.287 3.344 210 HZ2 LYS 35 2HZ LYS 35 9.899 -1.178 3.313 211 HZ3 LYS 35 3HZ LYS 35 8.960 0.223 3.185 212 H CYS 36 H CYS 36 3.477 2.087 4.759 213 HA CYS 36 HA CYS 36 3.016 1.113 7.367 214 HB2 CYS 36 1HB CYS 36 1.541 2.968 5.527 215 HB3 CYS 36 2HB CYS 36 0.795 2.452 7.036 216 H VAL 37 H VAL 37 1.335 0.577 4.295 217 HA VAL 37 HA VAL 37 -0.637 -1.150 5.482 218 HB VAL 37 HB VAL 37 -1.412 -1.547 3.208 219 HG11 VAL 37 1HG1 VAL 37 -0.906 1.327 2.973 220 HG12 VAL 37 2HG1 VAL 37 -2.431 0.448 3.098 221 HG13 VAL 37 3HG1 VAL 37 -1.508 0.826 4.553 222 HG21 VAL 37 1HG2 VAL 37 0.917 -1.585 2.230 223 HG22 VAL 37 2HG2 VAL 37 -0.304 -0.747 1.273 224 HG23 VAL 37 3HG2 VAL 37 0.853 0.177 2.230 225 H LYS 38 H LYS 38 2.441 -1.686 5.348 226 HA LYS 38 HA LYS 38 3.790 -3.516 5.287 227 HB2 LYS 38 1HB LYS 38 1.075 -4.756 5.547 228 HB3 LYS 38 2HB LYS 38 2.480 -5.783 5.294 229 HG2 LYS 38 1HG LYS 38 3.352 -5.340 7.355 230 HG3 LYS 38 2HG LYS 38 2.604 -3.744 7.451 231 HD2 LYS 38 1HD LYS 38 0.377 -5.076 7.540 232 HD3 LYS 38 2HD LYS 38 1.407 -6.435 7.995 233 HE2 LYS 38 1HE LYS 38 0.696 -5.458 10.021 234 HE3 LYS 38 2HE LYS 38 2.363 -4.933 9.794 235 HZ1 LYS 38 1HZ LYS 38 1.289 -2.997 10.386 236 HZ2 LYS 38 2HZ LYS 38 -0.120 -3.372 9.529 237 HZ3 LYS 38 3HZ LYS 38 1.272 -2.890 8.697 238 H ILE 39 H ILE 39 3.537 -2.304 2.892 239 HA ILE 39 HA ILE 39 3.762 -4.562 1.049 240 HB ILE 39 HB ILE 39 2.019 -2.149 0.574 241 HG12 ILE 39 1HG1 ILE 39 1.441 -5.105 0.305 242 HG13 ILE 39 2HG1 ILE 39 1.038 -4.141 1.722 243 HG21 ILE 39 1HG2 ILE 39 1.724 -3.149 -1.733 244 HG22 ILE 39 2HG2 ILE 39 3.262 -2.346 -1.422 245 HG23 ILE 39 3HG2 ILE 39 3.166 -4.107 -1.398 246 HD11 ILE 39 1HD1 ILE 39 -0.923 -4.363 0.406 247 HD12 ILE 39 2HD1 ILE 39 -0.357 -2.701 0.234 248 HD13 ILE 39 3HD1 ILE 39 -0.071 -3.868 -1.057 249 H THR 40 H THR 40 5.330 -4.327 -0.477 250 HA THR 40 HA THR 40 7.147 -2.097 -0.136 251 HB THR 40 HB THR 40 8.558 -3.351 -1.808 252 HG1 THR 40 1HG THR 40 7.654 -5.708 -1.801 253 HG21 THR 40 1HG2 THR 40 7.928 -5.326 0.304 254 HG22 THR 40 2HG2 THR 40 8.332 -3.697 0.846 255 HG23 THR 40 3HG2 THR 40 9.471 -4.604 -0.149 256 HA PRO 41 HA PRO 41 5.925 0.271 -3.627 257 HB2 PRO 41 1HB PRO 41 8.310 1.308 -4.407 258 HB3 PRO 41 2HB PRO 41 7.464 1.837 -2.949 259 HG2 PRO 41 1HG PRO 41 9.740 -0.088 -3.225 260 HG3 PRO 41 2HG PRO 41 9.500 1.196 -2.026 261 HD2 PRO 41 1HD PRO 41 8.993 -1.409 -1.491 262 HD3 PRO 41 2HD PRO 41 8.068 -0.085 -0.754 263 H ALA 42 H ALA 42 8.026 -2.396 -3.924 264 HA ALA 42 HA ALA 42 8.141 -2.220 -6.841 265 HB1 ALA 42 1HB ALA 42 9.690 -3.599 -4.771 266 HB2 ALA 42 2HB ALA 42 9.380 -4.562 -6.217 267 HB3 ALA 42 3HB ALA 42 10.187 -2.999 -6.354 268 H ARG 43 H ARG 43 6.902 -4.324 -4.273 269 HA ARG 43 HA ARG 43 5.806 -6.292 -5.976 270 HB2 ARG 43 1HB ARG 43 6.210 -6.733 -3.617 271 HB3 ARG 43 2HB ARG 43 5.043 -5.499 -3.162 272 HG2 ARG 43 1HG ARG 43 3.285 -6.848 -4.315 273 HG3 ARG 43 2HG ARG 43 4.489 -8.122 -4.523 274 HD2 ARG 43 1HD ARG 43 3.401 -7.009 -1.946 275 HD3 ARG 43 2HD ARG 43 3.225 -8.647 -2.574 276 HE ARG 43 HE ARG 43 5.939 -7.759 -2.054 277 HH11 ARG 43 2HH1 ARG 43 3.142 -9.491 -0.916 278 HH12 ARG 43 1HH1 ARG 43 4.027 -10.412 0.254 279 HH21 ARG 43 2HH2 ARG 43 7.115 -8.966 -0.517 280 HH22 ARG 43 1HH2 ARG 43 6.287 -10.112 0.481 281 H ALA 44 H ALA 44 4.526 -3.295 -4.643 282 HA ALA 44 HA ALA 44 1.857 -3.450 -5.047 283 HB1 ALA 44 1HB ALA 44 3.557 -1.102 -5.881 284 HB2 ALA 44 2HB ALA 44 1.839 -1.065 -5.483 285 HB3 ALA 44 3HB ALA 44 3.025 -1.445 -4.235 286 H GLU 45 H GLU 45 4.307 -3.052 -7.558 287 HA GLU 45 HA GLU 45 2.773 -2.450 -9.751 288 HB2 GLU 45 1HB GLU 45 5.272 -4.039 -9.378 289 HB3 GLU 45 2HB GLU 45 4.495 -4.058 -10.955 290 HG2 GLU 45 1HG GLU 45 5.499 -1.643 -9.469 291 HG3 GLU 45 2HG GLU 45 6.201 -2.370 -10.913 292 H HIS 46 H HIS 46 3.304 -5.632 -8.295 293 HA HIS 46 HA HIS 46 1.688 -6.988 -10.251 294 HB2 HIS 46 1HB HIS 46 2.712 -7.974 -7.580 295 HB3 HIS 46 2HB HIS 46 2.042 -8.973 -8.867 296 HD1 HIS 46 1HD HIS 46 3.497 -9.018 -11.136 297 HD2 HIS 46 2HD HIS 46 5.398 -7.541 -7.750 298 HE1 HIS 46 1HE HIS 46 5.955 -9.080 -11.665 299 HE2 HIS 46 2HE HIS 46 7.089 -8.262 -9.570 300 H ILE 47 H ILE 47 1.271 -5.800 -6.960 301 HA ILE 47 HA ILE 47 -1.263 -6.975 -6.500 302 HB ILE 47 HB ILE 47 -0.061 -4.497 -5.260 303 HG12 ILE 47 1HG1 ILE 47 -0.156 -7.321 -4.184 304 HG13 ILE 47 2HG1 ILE 47 1.241 -6.634 -5.006 305 HG21 ILE 47 1HG2 ILE 47 -2.659 -5.153 -5.141 306 HG22 ILE 47 2HG2 ILE 47 -2.046 -6.124 -3.803 307 HG23 ILE 47 3HG2 ILE 47 -1.794 -4.378 -3.813 308 HD11 ILE 47 1HD1 ILE 47 1.317 -4.872 -3.256 309 HD12 ILE 47 2HD1 ILE 47 0.037 -5.736 -2.404 310 HD13 ILE 47 3HD1 ILE 47 1.603 -6.505 -2.657 311 H LYS 48 H LYS 48 -3.115 -6.530 -7.472 312 HA LYS 48 HA LYS 48 -3.431 -4.048 -8.954 313 HB2 LYS 48 1HB LYS 48 -4.116 -6.471 -9.693 314 HB3 LYS 48 2HB LYS 48 -5.561 -6.143 -8.746 315 HG2 LYS 48 1HG LYS 48 -4.693 -4.143 -10.770 316 HG3 LYS 48 2HG LYS 48 -5.475 -5.629 -11.314 317 HD2 LYS 48 1HD LYS 48 -6.608 -3.704 -9.284 318 HD3 LYS 48 2HD LYS 48 -7.079 -3.788 -10.983 319 HE2 LYS 48 1HE LYS 48 -7.605 -6.256 -10.502 320 HE3 LYS 48 2HE LYS 48 -7.531 -5.799 -8.801 321 HZ1 LYS 48 1HZ LYS 48 -9.776 -5.636 -9.455 322 HZ2 LYS 48 2HZ LYS 48 -9.398 -4.787 -10.868 323 HZ3 LYS 48 3HZ LYS 48 -9.212 -4.044 -9.359 324 H GLN 49 H GLN 49 -5.213 -5.839 -6.441 325 HA GLN 49 HA GLN 49 -6.137 -3.279 -5.365 326 HB2 GLN 49 1HB GLN 49 -7.850 -5.507 -6.373 327 HB3 GLN 49 2HB GLN 49 -8.391 -4.599 -4.968 328 HG2 GLN 49 1HG GLN 49 -7.949 -2.520 -6.431 329 HG3 GLN 49 2HG GLN 49 -7.977 -3.661 -7.774 330 HE21 GLN 49 1HE2 GLN 49 -9.798 -1.440 -6.698 331 HE22 GLN 49 2HE2 GLN 49 -11.368 -2.159 -6.736 332 H TYR 50 H TYR 50 -5.187 -3.308 -3.424 333 HA TYR 50 HA TYR 50 -5.183 -5.794 -1.872 334 HB2 TYR 50 1HB TYR 50 -3.008 -4.865 -1.983 335 HB3 TYR 50 2HB TYR 50 -3.599 -3.239 -1.660 336 HD1 TYR 50 1HD TYR 50 -3.368 -6.608 -0.071 337 HD2 TYR 50 2HD TYR 50 -3.467 -2.392 0.497 338 HE1 TYR 50 1HE TYR 50 -2.909 -6.926 2.324 339 HE2 TYR 50 2HE TYR 50 -3.007 -2.698 2.893 340 HH TYR 50 HH TYR 50 -3.484 -4.877 4.594 341 H LYS 51 H LYS 51 -6.098 -5.952 0.145 342 HA LYS 51 HA LYS 51 -8.088 -3.907 0.778 343 HB2 LYS 51 1HB LYS 51 -8.907 -6.186 0.640 344 HB3 LYS 51 2HB LYS 51 -7.707 -6.723 1.808 345 HG2 LYS 51 1HG LYS 51 -8.768 -5.473 3.560 346 HG3 LYS 51 2HG LYS 51 -9.892 -4.743 2.412 347 HD2 LYS 51 1HD LYS 51 -9.781 -7.710 2.561 348 HD3 LYS 51 2HD LYS 51 -10.559 -6.843 3.888 349 HE2 LYS 51 1HE LYS 51 -12.161 -5.882 2.453 350 HE3 LYS 51 2HE LYS 51 -11.247 -6.317 1.010 351 HZ1 LYS 51 1HZ LYS 51 -11.717 -8.702 2.233 352 HZ2 LYS 51 2HZ LYS 51 -12.573 -8.082 0.913 353 HZ3 LYS 51 3HZ LYS 51 -13.159 -7.855 2.484 354 H CYS 52 H CYS 52 -6.940 -2.301 1.798 355 HA CYS 52 HA CYS 52 -4.874 -2.393 3.538 356 HB2 CYS 52 1HB CYS 52 -5.490 -0.271 4.299 357 HB3 CYS 52 2HB CYS 52 -6.269 -0.371 2.723 358 HA PRO 53 HA PRO 53 -6.018 -4.518 7.204 359 HB2 PRO 53 1HB PRO 53 -4.603 -3.147 9.073 360 HB3 PRO 53 2HB PRO 53 -3.847 -4.235 7.903 361 HG2 PRO 53 1HG PRO 53 -4.077 -1.251 7.841 362 HG3 PRO 53 2HG PRO 53 -2.685 -2.274 7.443 363 HD2 PRO 53 1HD PRO 53 -4.286 -1.193 5.547 364 HD3 PRO 53 2HD PRO 53 -3.485 -2.763 5.338 365 H SER 54 H SER 54 -6.740 -1.188 6.798 366 HA SER 54 HA SER 54 -8.125 -0.841 9.294 367 HB2 SER 54 1HB SER 54 -8.146 0.832 6.770 368 HB3 SER 54 2HB SER 54 -8.870 1.308 8.306 369 HG SER 54 HG SER 54 -6.271 0.514 8.559 370 H CYS 55 H CYS 55 -8.915 -1.938 6.099 371 HA CYS 55 HA CYS 55 -11.783 -1.784 6.608 372 HB2 CYS 55 1HB CYS 55 -10.130 -2.507 4.197 373 HB3 CYS 55 2HB CYS 55 -11.861 -2.827 4.255 374 H SER 56 H SER 56 -9.420 -4.284 5.667 375 HA SER 56 HA SER 56 -10.969 -6.523 5.804 376 HB2 SER 56 1HB SER 56 -9.014 -7.742 5.886 377 HB3 SER 56 2HB SER 56 -8.370 -6.174 5.397 378 HG SER 56 HG SER 56 -7.880 -5.778 7.592 379 H ASN 57 H ASN 57 -9.773 -4.605 8.465 380 HA ASN 57 HA ASN 57 -10.633 -6.541 10.449 381 HB2 ASN 57 1HB ASN 57 -9.108 -3.989 10.475 382 HB3 ASN 57 2HB ASN 57 -10.004 -4.398 11.935 383 HD21 ASN 57 1HD2 ASN 57 -7.314 -4.204 12.048 384 HD22 ASN 57 2HD2 ASN 57 -6.606 -5.767 12.248 385 H LYS 58 H LYS 58 -12.718 -5.689 8.807 386 HA LYS 58 HA LYS 58 -14.237 -3.761 10.399 387 HB2 LYS 58 1HB LYS 58 -14.406 -4.799 7.620 388 HB3 LYS 58 2HB LYS 58 -15.917 -4.337 8.394 389 HG2 LYS 58 1HG LYS 58 -14.793 -2.123 8.924 390 HG3 LYS 58 2HG LYS 58 -13.531 -2.619 7.795 391 HD2 LYS 58 1HD LYS 58 -14.995 -1.353 6.485 392 HD3 LYS 58 2HD LYS 58 -15.451 -3.023 6.138 393 HE2 LYS 58 1HE LYS 58 -17.386 -2.885 7.447 394 HE3 LYS 58 2HE LYS 58 -16.821 -1.444 8.290 395 HZ1 LYS 58 1HZ LYS 58 -16.917 -0.788 5.606 396 HZ2 LYS 58 2HZ LYS 58 -17.958 -0.256 6.828 397 HZ3 LYS 58 3HZ LYS 58 -18.352 -1.627 5.920 398 H SER 59 H SER 59 -16.570 -4.268 10.782 399 HA SER 59 HA SER 59 -17.118 -7.121 11.130 400 HB2 SER 59 1HB SER 59 -16.199 -6.489 13.272 401 HB3 SER 59 2HB SER 59 -17.235 -5.064 13.346 402 HG SER 59 HG SER 59 -19.029 -6.621 13.270 403 H GLY 60 H GLY 60 -19.177 -7.655 10.690 404 HA2 GLY 60 1HA GLY 60 -21.510 -6.385 11.214 405 HA3 GLY 60 2HA GLY 60 -20.954 -5.579 9.755 406 HA PRO 61 HA PRO 61 -23.480 -9.271 8.521 407 HB2 PRO 61 1HB PRO 61 -24.969 -7.936 6.686 408 HB3 PRO 61 2HB PRO 61 -25.401 -8.016 8.398 409 HG2 PRO 61 1HG PRO 61 -24.028 -5.823 6.892 410 HG3 PRO 61 2HG PRO 61 -25.311 -5.711 8.110 411 HD2 PRO 61 1HD PRO 61 -22.707 -5.249 8.690 412 HD3 PRO 61 2HD PRO 61 -23.838 -5.949 9.867 413 H SER 62 H SER 62 -22.622 -10.587 7.049 414 HA SER 62 HA SER 62 -20.865 -9.519 5.002 415 HB2 SER 62 1HB SER 62 -21.555 -12.402 5.618 416 HB3 SER 62 2HB SER 62 -20.226 -11.834 4.607 417 HG SER 62 HG SER 62 -20.348 -10.850 7.206 418 H SER 63 H SER 63 -21.186 -9.617 2.821 419 HA SER 63 HA SER 63 -23.934 -10.103 1.962 420 HB2 SER 63 1HB SER 63 -21.590 -8.730 0.638 421 HB3 SER 63 2HB SER 63 -23.125 -9.017 -0.181 422 HG SER 63 HG SER 63 -23.369 -7.043 0.684 423 H GLY 64 H GLY 64 -20.647 -10.875 0.798 424 HA2 GLY 64 1HA GLY 64 -21.758 -13.383 -0.300 425 HA3 GLY 64 2HA GLY 64 -20.579 -12.422 -1.180 Start of MODEL 8 1 H1 GLY 1 H GLY 1 5.136 24.049 9.929 2 HA2 GLY 1 1HA GLY 1 4.604 24.603 7.591 3 HA3 GLY 1 2HA GLY 1 5.063 22.957 7.184 4 H SER 2 H SER 2 2.882 23.074 6.148 5 HA SER 2 HA SER 2 0.558 23.108 7.806 6 HB2 SER 2 1HB SER 2 -0.593 22.273 5.728 7 HB3 SER 2 2HB SER 2 0.321 23.764 5.504 8 HG SER 2 HG SER 2 1.396 21.205 4.946 9 H SER 3 H SER 3 -0.386 21.501 8.888 10 HA SER 3 HA SER 3 0.720 18.795 8.567 11 HB2 SER 3 1HB SER 3 -0.092 18.366 10.846 12 HB3 SER 3 2HB SER 3 0.969 19.775 10.812 13 HG SER 3 HG SER 3 -1.645 19.597 11.523 14 H GLY 4 H GLY 4 -0.491 17.414 7.464 15 HA2 GLY 4 1HA GLY 4 -3.158 17.911 6.696 16 HA3 GLY 4 2HA GLY 4 -2.316 16.377 6.535 17 H SER 5 H SER 5 -4.473 18.283 8.478 18 HA SER 5 HA SER 5 -4.667 16.311 10.580 19 HB2 SER 5 1HB SER 5 -6.319 17.792 11.563 20 HB3 SER 5 2HB SER 5 -4.942 18.749 11.019 21 HG SER 5 HG SER 5 -7.532 18.582 9.958 22 H SER 6 H SER 6 -6.676 17.441 7.889 23 HA SER 6 HA SER 6 -8.427 15.109 8.302 24 HB2 SER 6 1HB SER 6 -8.976 17.794 7.028 25 HB3 SER 6 2HB SER 6 -10.075 16.422 6.892 26 HG SER 6 HG SER 6 -10.276 16.428 9.147 27 H GLY 7 H GLY 7 -7.564 13.523 7.076 28 HA2 GLY 7 1HA GLY 7 -7.750 12.555 4.849 29 HA3 GLY 7 2HA GLY 7 -7.250 14.109 4.199 30 H GLN 8 H GLN 8 -5.875 12.193 6.854 31 HA GLN 8 HA GLN 8 -3.356 12.083 5.329 32 HB2 GLN 8 1HB GLN 8 -2.122 12.318 7.354 33 HB3 GLN 8 2HB GLN 8 -3.345 13.582 7.351 34 HG2 GLN 8 1HG GLN 8 -3.984 11.010 8.690 35 HG3 GLN 8 2HG GLN 8 -2.864 12.116 9.484 36 HE21 GLN 8 1HE2 GLN 8 -4.048 12.901 11.108 37 HE22 GLN 8 2HE2 GLN 8 -5.559 13.721 10.929 38 H CYS 9 H CYS 9 -1.883 10.285 6.123 39 HA CYS 9 HA CYS 9 -3.200 7.811 5.787 40 HB2 CYS 9 1HB CYS 9 -0.953 7.944 5.044 41 HB3 CYS 9 2HB CYS 9 -0.393 8.546 6.601 42 H GLY 10 H GLY 10 -4.172 6.522 7.208 43 HA2 GLY 10 1HA GLY 10 -4.469 7.248 9.927 44 HA3 GLY 10 2HA GLY 10 -4.982 5.730 9.206 45 H ALA 11 H ALA 11 -2.453 4.824 8.325 46 HA ALA 11 HA ALA 11 -1.546 3.415 10.523 47 HB1 ALA 11 1HB ALA 11 0.674 3.631 8.852 48 HB2 ALA 11 2HB ALA 11 -0.559 2.370 8.828 49 HB3 ALA 11 3HB ALA 11 -0.722 3.782 7.785 50 H CYS 12 H CYS 12 0.183 6.128 8.970 51 HA CYS 12 HA CYS 12 1.369 6.738 11.599 52 HB2 CYS 12 1HB CYS 12 3.384 7.453 10.504 53 HB3 CYS 12 2HB CYS 12 2.983 5.848 9.900 54 H GLY 13 H GLY 13 0.267 8.103 8.517 55 HA2 GLY 13 1HA GLY 13 -0.906 10.070 8.159 56 HA3 GLY 13 2HA GLY 13 -0.811 10.402 9.883 57 H GLU 14 H GLU 14 1.593 9.994 7.278 58 HA GLU 14 HA GLU 14 3.239 12.077 8.365 59 HB2 GLU 14 1HB GLU 14 3.388 10.217 6.045 60 HB3 GLU 14 2HB GLU 14 4.361 11.680 5.981 61 HG2 GLU 14 1HG GLU 14 5.179 10.978 8.318 62 HG3 GLU 14 2HG GLU 14 4.523 9.395 7.903 63 H SER 15 H SER 15 4.152 13.661 6.527 64 HA SER 15 HA SER 15 1.839 15.253 5.745 65 HB2 SER 15 1HB SER 15 3.603 16.401 6.970 66 HB3 SER 15 2HB SER 15 4.795 15.908 5.768 67 HG SER 15 HG SER 15 4.169 17.979 5.274 68 H TYR 16 H TYR 16 1.605 16.141 3.639 69 HA TYR 16 HA TYR 16 1.601 14.502 1.526 70 HB2 TYR 16 1HB TYR 16 0.618 16.656 1.288 71 HB3 TYR 16 2HB TYR 16 2.158 17.467 1.549 72 HD1 TYR 16 1HD TYR 16 0.787 14.872 -0.778 73 HD2 TYR 16 2HD TYR 16 3.090 18.421 -0.324 74 HE1 TYR 16 1HE TYR 16 1.157 14.936 -3.209 75 HE2 TYR 16 2HE TYR 16 3.466 18.495 -2.753 76 HH TYR 16 HH TYR 16 3.258 17.368 -4.683 77 H ALA 17 H ALA 17 3.039 13.365 0.420 78 HA ALA 17 HA ALA 17 5.710 14.461 -0.047 79 HB1 ALA 17 1HB ALA 17 6.109 13.162 1.895 80 HB2 ALA 17 2HB ALA 17 5.158 11.813 1.271 81 HB3 ALA 17 3HB ALA 17 6.705 12.220 0.527 82 H ALA 18 H ALA 18 6.517 13.985 -2.020 83 HA ALA 18 HA ALA 18 4.807 12.443 -3.814 84 HB1 ALA 18 1HB ALA 18 6.625 13.401 -5.484 85 HB2 ALA 18 2HB ALA 18 5.278 14.384 -4.909 86 HB3 ALA 18 3HB ALA 18 6.869 14.548 -4.167 87 H ASP 19 H ASP 19 8.218 12.607 -2.827 88 HA ASP 19 HA ASP 19 9.251 10.553 -4.350 89 HB2 ASP 19 1HB ASP 19 10.644 12.002 -2.957 90 HB3 ASP 19 2HB ASP 19 9.965 11.279 -1.501 91 H GLU 20 H GLU 20 7.716 10.325 -1.152 92 HA GLU 20 HA GLU 20 8.023 7.588 -0.754 93 HB2 GLU 20 1HB GLU 20 5.688 9.298 0.118 94 HB3 GLU 20 2HB GLU 20 6.163 7.756 0.816 95 HG2 GLU 20 1HG GLU 20 8.377 8.853 1.376 96 HG3 GLU 20 2HG GLU 20 7.605 10.383 0.963 97 H PHE 21 H PHE 21 6.084 6.033 -0.657 98 HA PHE 21 HA PHE 21 4.577 6.235 -3.181 99 HB2 PHE 21 1HB PHE 21 5.932 4.464 -3.703 100 HB3 PHE 21 2HB PHE 21 6.157 4.003 -2.019 101 HD1 PHE 21 1HD PHE 21 3.372 4.198 -4.499 102 HD2 PHE 21 2HD PHE 21 5.264 1.995 -1.387 103 HE1 PHE 21 1HE PHE 21 1.723 2.393 -4.778 104 HE2 PHE 21 2HE PHE 21 3.619 0.187 -1.662 105 HZ PHE 21 HZ PHE 21 1.846 0.384 -3.360 106 H TRP 22 H TRP 22 2.436 6.152 -3.008 107 HA TRP 22 HA TRP 22 1.280 5.412 -0.417 108 HB2 TRP 22 1HB TRP 22 -0.009 6.882 -2.726 109 HB3 TRP 22 2HB TRP 22 -0.694 6.653 -1.119 110 HD1 TRP 22 HD TRP 22 2.399 8.371 -2.719 111 HE1 TRP 22 1HE TRP 22 2.932 10.478 -1.340 112 HE3 TRP 22 3HE TRP 22 -1.133 7.860 0.941 113 HZ2 TRP 22 2HZ TRP 22 1.980 11.755 0.991 114 HZ3 TRP 22 3HZ TRP 22 -1.255 9.568 2.709 115 HH2 TRP 22 HH TRP 22 0.271 11.473 2.732 116 H ILE 23 H ILE 23 -0.626 4.103 -0.325 117 HA ILE 23 HA ILE 23 -0.704 2.111 -2.481 118 HB ILE 23 HB ILE 23 -1.461 0.521 -0.947 119 HG12 ILE 23 1HG1 ILE 23 -2.014 1.410 1.488 120 HG13 ILE 23 2HG1 ILE 23 -2.374 2.897 0.618 121 HG21 ILE 23 1HG2 ILE 23 0.749 0.668 -0.391 122 HG22 ILE 23 2HG2 ILE 23 0.617 2.341 0.147 123 HG23 ILE 23 3HG2 ILE 23 0.024 1.036 1.174 124 HD11 ILE 23 1HD1 ILE 23 -3.570 0.443 -0.481 125 HD12 ILE 23 2HD1 ILE 23 -4.175 0.974 1.089 126 HD13 ILE 23 3HD1 ILE 23 -4.248 2.060 -0.299 127 H CYS 24 H CYS 24 -2.812 1.163 -3.018 128 HA CYS 24 HA CYS 24 -4.962 3.172 -2.854 129 HB2 CYS 24 1HB CYS 24 -5.739 2.414 -5.023 130 HB3 CYS 24 2HB CYS 24 -4.038 2.851 -5.134 131 HG CYS 24 HG CYS 24 -3.336 0.015 -4.769 132 H CYS 25 H CYS 25 -7.025 2.516 -2.363 133 HA CYS 25 HA CYS 25 -7.447 -0.336 -1.808 134 HB2 CYS 25 1HB CYS 25 -6.863 0.852 0.305 135 HB3 CYS 25 2HB CYS 25 -8.260 1.895 0.065 136 H ASP 26 H ASP 26 -9.094 -0.976 -3.015 137 HA ASP 26 HA ASP 26 -11.056 0.900 -3.997 138 HB2 ASP 26 1HB ASP 26 -9.998 -1.238 -5.156 139 HB3 ASP 26 2HB ASP 26 -11.358 -2.045 -4.379 140 H LEU 27 H LEU 27 -11.117 0.703 -1.205 141 HA LEU 27 HA LEU 27 -13.814 -0.393 -0.824 142 HB2 LEU 27 1HB LEU 27 -11.420 -0.799 0.948 143 HB3 LEU 27 2HB LEU 27 -13.072 -1.008 1.525 144 HG LEU 27 HG LEU 27 -12.062 -2.548 -0.842 145 HD11 LEU 27 1HD1 LEU 27 -10.438 -3.010 0.854 146 HD12 LEU 27 2HD1 LEU 27 -11.536 -4.386 0.749 147 HD13 LEU 27 3HD1 LEU 27 -11.697 -3.228 2.070 148 HD21 LEU 27 1HD2 LEU 27 -14.359 -2.796 -0.650 149 HD22 LEU 27 2HD2 LEU 27 -14.318 -2.766 1.113 150 HD23 LEU 27 3HD2 LEU 27 -13.742 -4.188 0.241 151 H CYS 28 H CYS 28 -11.373 1.345 1.114 152 HA CYS 28 HA CYS 28 -13.456 3.248 1.908 153 HB2 CYS 28 1HB CYS 28 -11.960 3.880 3.725 154 HB3 CYS 28 2HB CYS 28 -12.185 2.134 3.707 155 H GLU 29 H GLU 29 -10.599 2.968 0.012 156 HA GLU 29 HA GLU 29 -9.483 4.425 -1.332 157 HB2 GLU 29 1HB GLU 29 -12.138 5.732 -0.994 158 HB3 GLU 29 2HB GLU 29 -10.841 6.681 -1.706 159 HG2 GLU 29 1HG GLU 29 -12.095 5.687 -3.467 160 HG3 GLU 29 2HG GLU 29 -10.526 4.887 -3.390 161 H MET 30 H MET 30 -8.602 4.394 1.227 162 HA MET 30 HA MET 30 -8.396 7.125 2.198 163 HB2 MET 30 1HB MET 30 -7.419 4.471 3.232 164 HB3 MET 30 2HB MET 30 -6.920 5.992 3.960 165 HG2 MET 30 1HG MET 30 -9.822 5.424 3.592 166 HG3 MET 30 2HG MET 30 -8.943 4.663 4.916 167 HE1 MET 30 1HE MET 30 -7.375 7.728 6.656 168 HE2 MET 30 2HE MET 30 -8.269 6.372 7.343 169 HE3 MET 30 3HE MET 30 -7.104 6.094 6.048 170 H TRP 31 H TRP 31 -5.989 7.551 3.090 171 HA TRP 31 HA TRP 31 -4.203 7.197 0.772 172 HB2 TRP 31 1HB TRP 31 -4.613 9.567 2.586 173 HB3 TRP 31 2HB TRP 31 -3.157 9.387 1.612 174 HD1 TRP 31 HD TRP 31 -6.798 10.366 1.379 175 HE1 TRP 31 1HE TRP 31 -7.310 11.181 -1.008 176 HE3 TRP 31 3HE TRP 31 -2.440 8.978 -0.905 177 HZ2 TRP 31 2HZ TRP 31 -6.036 11.228 -3.526 178 HZ3 TRP 31 3HZ TRP 31 -2.166 9.444 -3.305 179 HH2 TRP 31 HH TRP 31 -3.928 10.545 -4.587 180 H PHE 32 H PHE 32 -3.299 5.303 1.688 181 HA PHE 32 HA PHE 32 -1.786 5.673 4.174 182 HB2 PHE 32 1HB PHE 32 -2.276 3.096 2.674 183 HB3 PHE 32 2HB PHE 32 -1.650 3.273 4.310 184 HD1 PHE 32 1HD PHE 32 -3.372 4.983 5.704 185 HD2 PHE 32 2HD PHE 32 -4.374 2.191 2.651 186 HE1 PHE 32 1HE PHE 32 -5.659 4.833 6.596 187 HE2 PHE 32 2HE PHE 32 -6.663 2.037 3.539 188 HZ PHE 32 HZ PHE 32 -7.309 3.360 5.513 189 H HIS 33 H HIS 33 0.298 4.138 4.081 190 HA HIS 33 HA HIS 33 1.798 4.966 1.683 191 HB2 HIS 33 1HB HIS 33 2.690 4.712 4.556 192 HB3 HIS 33 2HB HIS 33 3.819 4.874 3.214 193 HD2 HIS 33 2HD HIS 33 3.567 7.406 1.809 194 HE1 HIS 33 1HE HIS 33 1.735 9.310 5.129 195 HE2 HIS 33 2HE HIS 33 2.782 9.635 2.861 196 H GLY 34 H GLY 34 3.151 3.504 0.689 197 HA2 GLY 34 1HA GLY 34 2.499 0.864 0.544 198 HA3 GLY 34 2HA GLY 34 4.110 1.467 0.183 199 H LYS 35 H LYS 35 5.415 1.947 2.287 200 HA LYS 35 HA LYS 35 5.967 -0.467 3.533 201 HB2 LYS 35 1HB LYS 35 6.507 2.303 4.620 202 HB3 LYS 35 2HB LYS 35 7.320 0.823 5.113 203 HG2 LYS 35 1HG LYS 35 8.273 0.579 2.895 204 HG3 LYS 35 2HG LYS 35 7.415 2.023 2.352 205 HD2 LYS 35 1HD LYS 35 8.652 3.370 3.977 206 HD3 LYS 35 2HD LYS 35 9.502 1.926 4.531 207 HE2 LYS 35 1HE LYS 35 10.931 3.116 3.018 208 HE3 LYS 35 2HE LYS 35 10.388 1.637 2.226 209 HZ1 LYS 35 1HZ LYS 35 9.966 4.361 1.468 210 HZ2 LYS 35 2HZ LYS 35 8.516 3.494 1.532 211 HZ3 LYS 35 3HZ LYS 35 9.784 2.949 0.554 212 H CYS 36 H CYS 36 3.927 2.208 4.630 213 HA CYS 36 HA CYS 36 3.379 1.380 7.210 214 HB2 CYS 36 1HB CYS 36 1.862 2.956 5.174 215 HB3 CYS 36 2HB CYS 36 1.034 2.468 6.650 216 H VAL 37 H VAL 37 1.577 0.564 4.248 217 HA VAL 37 HA VAL 37 -0.115 -1.307 5.623 218 HB VAL 37 HB VAL 37 -0.823 -0.018 3.591 219 HG11 VAL 37 1HG1 VAL 37 1.033 -1.955 2.216 220 HG12 VAL 37 2HG1 VAL 37 -0.174 -0.969 1.389 221 HG13 VAL 37 3HG1 VAL 37 1.160 -0.197 2.246 222 HG21 VAL 37 1HG2 VAL 37 -1.487 -2.580 4.408 223 HG22 VAL 37 2HG2 VAL 37 -2.418 -1.553 3.317 224 HG23 VAL 37 3HG2 VAL 37 -1.275 -2.727 2.663 225 H LYS 38 H LYS 38 3.003 -1.540 5.156 226 HA LYS 38 HA LYS 38 4.495 -3.256 5.083 227 HB2 LYS 38 1HB LYS 38 2.038 -5.014 5.228 228 HB3 LYS 38 2HB LYS 38 3.694 -5.536 5.508 229 HG2 LYS 38 1HG LYS 38 2.662 -3.299 7.158 230 HG3 LYS 38 2HG LYS 38 2.050 -4.922 7.488 231 HD2 LYS 38 1HD LYS 38 3.874 -4.974 8.842 232 HD3 LYS 38 2HD LYS 38 4.654 -5.487 7.343 233 HE2 LYS 38 1HE LYS 38 6.082 -3.822 8.000 234 HE3 LYS 38 2HE LYS 38 4.960 -2.899 7.001 235 HZ1 LYS 38 1HZ LYS 38 5.083 -3.041 9.954 236 HZ2 LYS 38 2HZ LYS 38 3.722 -2.451 9.142 237 HZ3 LYS 38 3HZ LYS 38 5.214 -1.675 8.964 238 H ILE 39 H ILE 39 3.656 -2.093 2.666 239 HA ILE 39 HA ILE 39 4.015 -4.372 0.841 240 HB ILE 39 HB ILE 39 2.161 -2.024 0.468 241 HG12 ILE 39 1HG1 ILE 39 1.685 -5.010 0.335 242 HG13 ILE 39 2HG1 ILE 39 1.291 -3.986 1.712 243 HG21 ILE 39 1HG2 ILE 39 3.507 -2.428 -1.568 244 HG22 ILE 39 2HG2 ILE 39 2.921 -4.091 -1.590 245 HG23 ILE 39 3HG2 ILE 39 1.790 -2.754 -1.799 246 HD11 ILE 39 1HD1 ILE 39 -0.083 -4.301 -0.876 247 HD12 ILE 39 2HD1 ILE 39 -0.737 -3.999 0.734 248 HD13 ILE 39 3HD1 ILE 39 -0.039 -2.674 -0.197 249 H THR 40 H THR 40 5.771 -4.187 -0.374 250 HA THR 40 HA THR 40 7.348 -1.794 -0.338 251 HB THR 40 HB THR 40 8.736 -3.153 -2.066 252 HG1 THR 40 1HG THR 40 6.652 -4.689 -1.978 253 HG21 THR 40 1HG2 THR 40 9.750 -4.477 -0.262 254 HG22 THR 40 2HG2 THR 40 8.346 -4.158 0.757 255 HG23 THR 40 3HG2 THR 40 9.398 -2.831 0.263 256 HA PRO 41 HA PRO 41 6.028 0.194 -4.022 257 HB2 PRO 41 1HB PRO 41 8.367 1.182 -4.984 258 HB3 PRO 41 2HB PRO 41 7.562 1.839 -3.554 259 HG2 PRO 41 1HG PRO 41 9.860 -0.072 -3.724 260 HG3 PRO 41 2HG PRO 41 9.639 1.320 -2.647 261 HD2 PRO 41 1HD PRO 41 9.195 -1.228 -1.844 262 HD3 PRO 41 2HD PRO 41 8.273 0.149 -1.206 263 H ALA 42 H ALA 42 8.328 -2.368 -4.168 264 HA ALA 42 HA ALA 42 8.374 -2.493 -7.063 265 HB1 ALA 42 1HB ALA 42 9.652 -4.653 -6.580 266 HB2 ALA 42 2HB ALA 42 10.405 -3.134 -6.094 267 HB3 ALA 42 3HB ALA 42 9.614 -4.150 -4.890 268 H ARG 43 H ARG 43 6.942 -4.287 -4.372 269 HA ARG 43 HA ARG 43 5.733 -6.263 -6.061 270 HB2 ARG 43 1HB ARG 43 6.278 -6.862 -3.792 271 HB3 ARG 43 2HB ARG 43 5.304 -5.541 -3.161 272 HG2 ARG 43 1HG ARG 43 3.393 -6.804 -4.487 273 HG3 ARG 43 2HG ARG 43 4.470 -8.178 -4.224 274 HD2 ARG 43 1HD ARG 43 4.520 -7.417 -1.775 275 HD3 ARG 43 2HD ARG 43 3.119 -6.431 -2.191 276 HE ARG 43 HE ARG 43 1.839 -8.343 -2.333 277 HH11 ARG 43 2HH1 ARG 43 5.206 -9.178 -2.042 278 HH12 ARG 43 1HH1 ARG 43 4.899 -10.859 -1.753 279 HH21 ARG 43 2HH2 ARG 43 1.421 -10.553 -1.954 280 HH22 ARG 43 1HH2 ARG 43 2.746 -11.640 -1.705 281 H ALA 44 H ALA 44 4.714 -3.249 -4.564 282 HA ALA 44 HA ALA 44 2.036 -3.221 -4.673 283 HB1 ALA 44 1HB ALA 44 2.971 -1.204 -4.051 284 HB2 ALA 44 2HB ALA 44 4.016 -1.130 -5.471 285 HB3 ALA 44 3HB ALA 44 2.287 -0.818 -5.631 286 H GLU 45 H GLU 45 4.153 -2.972 -7.502 287 HA GLU 45 HA GLU 45 2.374 -2.403 -9.496 288 HB2 GLU 45 1HB GLU 45 4.823 -4.114 -9.397 289 HB3 GLU 45 2HB GLU 45 3.851 -4.107 -10.862 290 HG2 GLU 45 1HG GLU 45 4.824 -1.567 -9.605 291 HG3 GLU 45 2HG GLU 45 5.817 -2.494 -10.728 292 H HIS 46 H HIS 46 3.032 -5.602 -8.104 293 HA HIS 46 HA HIS 46 1.123 -6.944 -9.752 294 HB2 HIS 46 1HB HIS 46 2.240 -7.927 -7.125 295 HB3 HIS 46 2HB HIS 46 1.608 -8.894 -8.455 296 HD1 HIS 46 1HD HIS 46 3.277 -9.731 -10.097 297 HD2 HIS 46 2HD HIS 46 4.755 -6.580 -7.828 298 HE1 HIS 46 1HE HIS 46 5.703 -9.527 -10.728 299 HE2 HIS 46 2HE HIS 46 6.597 -7.670 -9.280 300 H ILE 47 H ILE 47 1.034 -5.350 -6.656 301 HA ILE 47 HA ILE 47 -1.275 -6.455 -5.560 302 HB ILE 47 HB ILE 47 -0.362 -3.584 -5.339 303 HG12 ILE 47 1HG1 ILE 47 1.370 -5.274 -4.729 304 HG13 ILE 47 2HG1 ILE 47 0.863 -4.273 -3.373 305 HG21 ILE 47 1HG2 ILE 47 -2.309 -5.244 -3.771 306 HG22 ILE 47 2HG2 ILE 47 -1.527 -3.826 -3.076 307 HG23 ILE 47 3HG2 ILE 47 -2.548 -3.657 -4.504 308 HD11 ILE 47 1HD1 ILE 47 0.911 -6.357 -2.426 309 HD12 ILE 47 2HD1 ILE 47 -0.781 -6.238 -2.909 310 HD13 ILE 47 3HD1 ILE 47 0.355 -7.158 -3.895 311 H LYS 48 H LYS 48 -3.297 -6.498 -6.256 312 HA LYS 48 HA LYS 48 -4.230 -4.326 -8.017 313 HB2 LYS 48 1HB LYS 48 -4.850 -7.277 -8.092 314 HB3 LYS 48 2HB LYS 48 -5.825 -6.082 -8.938 315 HG2 LYS 48 1HG LYS 48 -2.891 -6.088 -9.406 316 HG3 LYS 48 2HG LYS 48 -3.865 -7.367 -10.135 317 HD2 LYS 48 1HD LYS 48 -4.061 -5.846 -11.804 318 HD3 LYS 48 2HD LYS 48 -5.370 -5.245 -10.784 319 HE2 LYS 48 1HE LYS 48 -3.875 -3.449 -11.568 320 HE3 LYS 48 2HE LYS 48 -3.903 -3.589 -9.811 321 HZ1 LYS 48 1HZ LYS 48 -1.847 -5.142 -11.126 322 HZ2 LYS 48 2HZ LYS 48 -1.755 -4.172 -9.744 323 HZ3 LYS 48 3HZ LYS 48 -1.669 -3.467 -11.279 324 H GLN 49 H GLN 49 -5.433 -3.046 -6.749 325 HA GLN 49 HA GLN 49 -6.951 -2.362 -5.182 326 HB2 GLN 49 1HB GLN 49 -9.183 -3.373 -5.442 327 HB3 GLN 49 2HB GLN 49 -8.443 -2.999 -6.993 328 HG2 GLN 49 1HG GLN 49 -7.889 -5.306 -7.348 329 HG3 GLN 49 2HG GLN 49 -8.446 -5.728 -5.730 330 HE21 GLN 49 1HE2 GLN 49 -9.737 -7.278 -6.999 331 HE22 GLN 49 2HE2 GLN 49 -11.270 -6.760 -7.603 332 H TYR 50 H TYR 50 -5.057 -3.745 -3.897 333 HA TYR 50 HA TYR 50 -5.906 -6.009 -2.454 334 HB2 TYR 50 1HB TYR 50 -3.620 -5.752 -2.355 335 HB3 TYR 50 2HB TYR 50 -3.715 -4.006 -2.160 336 HD1 TYR 50 1HD TYR 50 -4.275 -7.213 -0.366 337 HD2 TYR 50 2HD TYR 50 -3.541 -3.036 -0.033 338 HE1 TYR 50 1HE TYR 50 -3.929 -7.473 2.055 339 HE2 TYR 50 2HE TYR 50 -3.193 -3.284 2.389 340 HH TYR 50 HH TYR 50 -3.946 -4.952 4.194 341 H LYS 51 H LYS 51 -6.582 -6.210 -0.282 342 HA LYS 51 HA LYS 51 -8.375 -4.097 0.555 343 HB2 LYS 51 1HB LYS 51 -9.159 -6.398 0.645 344 HB3 LYS 51 2HB LYS 51 -7.829 -6.838 1.708 345 HG2 LYS 51 1HG LYS 51 -8.724 -5.603 3.505 346 HG3 LYS 51 2HG LYS 51 -9.880 -4.777 2.458 347 HD2 LYS 51 1HD LYS 51 -9.987 -7.746 2.605 348 HD3 LYS 51 2HD LYS 51 -10.593 -6.822 3.981 349 HE2 LYS 51 1HE LYS 51 -12.167 -5.669 2.596 350 HE3 LYS 51 2HE LYS 51 -11.461 -6.354 1.133 351 HZ1 LYS 51 1HZ LYS 51 -12.835 -8.060 1.316 352 HZ2 LYS 51 2HZ LYS 51 -13.508 -7.406 2.723 353 HZ3 LYS 51 3HZ LYS 51 -12.188 -8.459 2.827 354 H CYS 52 H CYS 52 -7.436 -2.426 1.562 355 HA CYS 52 HA CYS 52 -5.061 -2.389 2.966 356 HB2 CYS 52 1HB CYS 52 -5.655 -0.247 3.715 357 HB3 CYS 52 2HB CYS 52 -6.561 -0.431 2.216 358 HA PRO 53 HA PRO 53 -5.731 -4.339 6.839 359 HB2 PRO 53 1HB PRO 53 -4.168 -2.835 8.472 360 HB3 PRO 53 2HB PRO 53 -3.508 -3.963 7.281 361 HG2 PRO 53 1HG PRO 53 -3.839 -0.993 7.097 362 HG3 PRO 53 2HG PRO 53 -2.466 -1.999 6.600 363 HD2 PRO 53 1HD PRO 53 -4.297 -1.062 4.840 364 HD3 PRO 53 2HD PRO 53 -3.473 -2.620 4.622 365 H SER 54 H SER 54 -6.915 -1.294 6.171 366 HA SER 54 HA SER 54 -7.986 -0.832 8.850 367 HB2 SER 54 1HB SER 54 -8.322 0.867 6.369 368 HB3 SER 54 2HB SER 54 -8.689 1.333 8.030 369 HG SER 54 HG SER 54 -6.594 1.549 8.455 370 H CYS 55 H CYS 55 -8.915 -2.020 5.745 371 HA CYS 55 HA CYS 55 -11.762 -1.837 6.357 372 HB2 CYS 55 1HB CYS 55 -10.195 -2.634 3.916 373 HB3 CYS 55 2HB CYS 55 -11.913 -2.995 4.050 374 H SER 56 H SER 56 -9.345 -4.335 5.600 375 HA SER 56 HA SER 56 -10.987 -6.564 5.915 376 HB2 SER 56 1HB SER 56 -9.006 -7.267 5.048 377 HB3 SER 56 2HB SER 56 -8.076 -6.051 5.923 378 HG SER 56 HG SER 56 -8.203 -7.340 7.767 379 H ASN 57 H ASN 57 -9.412 -4.545 8.283 380 HA ASN 57 HA ASN 57 -10.152 -6.367 10.448 381 HB2 ASN 57 1HB ASN 57 -7.870 -5.132 10.232 382 HB3 ASN 57 2HB ASN 57 -8.755 -3.738 10.844 383 HD21 ASN 57 1HD2 ASN 57 -8.429 -7.200 11.563 384 HD22 ASN 57 2HD2 ASN 57 -8.301 -7.004 13.275 385 H LYS 58 H LYS 58 -12.270 -5.141 9.050 386 HA LYS 58 HA LYS 58 -13.205 -2.901 10.622 387 HB2 LYS 58 1HB LYS 58 -14.260 -4.438 8.277 388 HB3 LYS 58 2HB LYS 58 -15.346 -3.407 9.199 389 HG2 LYS 58 1HG LYS 58 -14.074 -1.467 8.686 390 HG3 LYS 58 2HG LYS 58 -12.765 -2.433 8.001 391 HD2 LYS 58 1HD LYS 58 -13.927 -1.622 6.137 392 HD3 LYS 58 2HD LYS 58 -14.512 -3.277 6.330 393 HE2 LYS 58 1HE LYS 58 -16.421 -1.939 5.924 394 HE3 LYS 58 2HE LYS 58 -16.437 -2.313 7.647 395 HZ1 LYS 58 1HZ LYS 58 -15.177 -0.065 7.815 396 HZ2 LYS 58 2HZ LYS 58 -16.861 -0.076 7.651 397 HZ3 LYS 58 3HZ LYS 58 -15.883 0.243 6.308 398 H SER 59 H SER 59 -15.459 -2.988 11.541 399 HA SER 59 HA SER 59 -15.636 -4.700 13.667 400 HB2 SER 59 1HB SER 59 -17.897 -3.383 12.146 401 HB3 SER 59 2HB SER 59 -18.076 -4.140 13.729 402 HG SER 59 HG SER 59 -17.251 -1.679 13.169 403 H GLY 60 H GLY 60 -17.376 -5.067 10.573 404 HA2 GLY 60 1HA GLY 60 -17.193 -7.422 9.666 405 HA3 GLY 60 2HA GLY 60 -17.763 -7.914 11.254 406 HA PRO 61 HA PRO 61 -21.459 -5.656 9.078 407 HB2 PRO 61 1HB PRO 61 -21.172 -5.194 6.418 408 HB3 PRO 61 2HB PRO 61 -20.699 -4.021 7.653 409 HG2 PRO 61 1HG PRO 61 -18.999 -5.957 6.129 410 HG3 PRO 61 2HG PRO 61 -18.679 -4.258 6.525 411 HD2 PRO 61 1HD PRO 61 -17.584 -6.308 7.914 412 HD3 PRO 61 2HD PRO 61 -17.996 -4.756 8.669 413 H SER 62 H SER 62 -19.533 -7.963 7.232 414 HA SER 62 HA SER 62 -21.999 -9.476 6.666 415 HB2 SER 62 1HB SER 62 -19.525 -9.055 5.011 416 HB3 SER 62 2HB SER 62 -20.530 -10.483 4.769 417 HG SER 62 HG SER 62 -20.998 -7.864 4.091 418 H SER 63 H SER 63 -20.687 -9.768 9.092 419 HA SER 63 HA SER 63 -18.697 -11.564 9.443 420 HB2 SER 63 1HB SER 63 -21.266 -11.140 10.923 421 HB3 SER 63 2HB SER 63 -20.212 -12.472 11.396 422 HG SER 63 HG SER 63 -19.307 -10.928 12.531 423 H GLY 64 H GLY 64 -18.335 -13.299 8.197 424 HA2 GLY 64 1HA GLY 64 -20.495 -15.306 8.026 425 HA3 GLY 64 2HA GLY 64 -19.498 -14.912 6.633 Start of MODEL 9 1 H1 GLY 1 H GLY 1 1.631 25.586 6.181 2 HA2 GLY 1 1HA GLY 1 2.818 24.217 8.193 3 HA3 GLY 1 2HA GLY 1 1.182 24.438 8.794 4 H SER 2 H SER 2 -0.535 23.368 7.790 5 HA SER 2 HA SER 2 0.088 20.832 6.714 6 HB2 SER 2 1HB SER 2 -2.502 22.368 6.941 7 HB3 SER 2 2HB SER 2 -2.421 20.741 6.265 8 HG SER 2 HG SER 2 -1.471 21.453 8.843 9 H SER 3 H SER 3 -0.795 19.996 4.635 10 HA SER 3 HA SER 3 -0.514 22.002 2.493 11 HB2 SER 3 1HB SER 3 0.405 19.117 2.462 12 HB3 SER 3 2HB SER 3 0.517 20.239 1.106 13 HG SER 3 HG SER 3 1.625 21.063 3.520 14 H GLY 4 H GLY 4 -2.285 22.248 1.312 15 HA2 GLY 4 1HA GLY 4 -4.009 21.495 -0.109 16 HA3 GLY 4 2HA GLY 4 -3.917 19.914 0.653 17 H SER 5 H SER 5 -5.872 19.506 1.459 18 HA SER 5 HA SER 5 -7.146 21.598 3.099 19 HB2 SER 5 1HB SER 5 -8.452 21.201 1.081 20 HB3 SER 5 2HB SER 5 -8.473 19.468 1.405 21 HG SER 5 HG SER 5 -10.222 19.878 2.482 22 H SER 6 H SER 6 -6.910 18.079 2.630 23 HA SER 6 HA SER 6 -6.456 17.614 5.406 24 HB2 SER 6 1HB SER 6 -8.968 18.041 5.275 25 HB3 SER 6 2HB SER 6 -9.077 16.536 4.363 26 HG SER 6 HG SER 6 -9.391 16.005 6.479 27 H GLY 7 H GLY 7 -4.986 16.056 5.310 28 HA2 GLY 7 1HA GLY 7 -5.570 13.575 3.951 29 HA3 GLY 7 2HA GLY 7 -4.252 14.487 3.230 30 H GLN 8 H GLN 8 -5.197 12.380 5.747 31 HA GLN 8 HA GLN 8 -2.429 12.305 6.701 32 HB2 GLN 8 1HB GLN 8 -3.880 13.690 8.249 33 HB3 GLN 8 2HB GLN 8 -4.774 12.216 8.598 34 HG2 GLN 8 1HG GLN 8 -2.673 11.179 9.386 35 HG3 GLN 8 2HG GLN 8 -1.857 12.721 9.134 36 HE21 GLN 8 1HE2 GLN 8 -4.349 11.074 10.969 37 HE22 GLN 8 2HE2 GLN 8 -4.352 12.166 12.307 38 H CYS 9 H CYS 9 -1.664 10.302 6.682 39 HA CYS 9 HA CYS 9 -3.223 8.086 5.922 40 HB2 CYS 9 1HB CYS 9 -0.910 8.026 5.393 41 HB3 CYS 9 2HB CYS 9 -0.443 8.329 7.063 42 H GLY 10 H GLY 10 -4.528 6.827 7.070 43 HA2 GLY 10 1HA GLY 10 -5.052 7.205 9.794 44 HA3 GLY 10 2HA GLY 10 -5.557 5.810 8.851 45 H ALA 11 H ALA 11 -2.968 4.858 8.172 46 HA ALA 11 HA ALA 11 -2.425 3.176 10.317 47 HB1 ALA 11 1HB ALA 11 -1.337 3.663 7.708 48 HB2 ALA 11 2HB ALA 11 -0.035 3.391 8.867 49 HB3 ALA 11 3HB ALA 11 -1.309 2.187 8.673 50 H CYS 12 H CYS 12 -0.568 6.028 9.249 51 HA CYS 12 HA CYS 12 0.439 6.281 12.005 52 HB2 CYS 12 1HB CYS 12 2.602 6.989 11.159 53 HB3 CYS 12 2HB CYS 12 2.203 5.406 10.500 54 H GLY 13 H GLY 13 -0.114 7.968 8.925 55 HA2 GLY 13 1HA GLY 13 -1.172 10.023 8.623 56 HA3 GLY 13 2HA GLY 13 -1.195 10.240 10.367 57 H GLU 14 H GLU 14 1.589 9.571 8.284 58 HA GLU 14 HA GLU 14 3.148 11.598 9.518 59 HB2 GLU 14 1HB GLU 14 3.523 9.746 7.202 60 HB3 GLU 14 2HB GLU 14 4.634 11.094 7.399 61 HG2 GLU 14 1HG GLU 14 4.098 9.340 9.738 62 HG3 GLU 14 2HG GLU 14 5.134 8.740 8.445 63 H SER 15 H SER 15 4.350 13.243 8.094 64 HA SER 15 HA SER 15 2.523 15.156 7.195 65 HB2 SER 15 1HB SER 15 4.355 16.511 6.778 66 HB3 SER 15 2HB SER 15 5.051 15.351 7.910 67 HG SER 15 HG SER 15 5.619 14.155 5.878 68 H TYR 16 H TYR 16 2.478 16.138 4.997 69 HA TYR 16 HA TYR 16 1.693 14.209 3.084 70 HB2 TYR 16 1HB TYR 16 0.695 16.443 3.164 71 HB3 TYR 16 2HB TYR 16 2.242 17.164 2.735 72 HD1 TYR 16 1HD TYR 16 -0.312 14.765 1.464 73 HD2 TYR 16 2HD TYR 16 2.754 17.552 0.498 74 HE1 TYR 16 1HE TYR 16 -0.887 14.563 -0.919 75 HE2 TYR 16 2HE TYR 16 2.186 17.359 -1.887 76 HH TYR 16 HH TYR 16 1.007 15.387 -3.343 77 H ALA 17 H ALA 17 3.407 12.843 2.624 78 HA ALA 17 HA ALA 17 5.801 14.034 1.416 79 HB1 ALA 17 1HB ALA 17 6.101 11.243 1.584 80 HB2 ALA 17 2HB ALA 17 6.875 12.478 2.577 81 HB3 ALA 17 3HB ALA 17 5.349 11.760 3.094 82 H ALA 18 H ALA 18 6.071 14.020 -0.714 83 HA ALA 18 HA ALA 18 4.144 12.675 -2.402 84 HB1 ALA 18 1HB ALA 18 6.513 14.353 -3.215 85 HB2 ALA 18 2HB ALA 18 5.139 13.893 -4.221 86 HB3 ALA 18 3HB ALA 18 4.907 14.989 -2.859 87 H ASP 19 H ASP 19 7.681 12.635 -1.998 88 HA ASP 19 HA ASP 19 8.359 10.738 -3.867 89 HB2 ASP 19 1HB ASP 19 9.606 10.793 -1.122 90 HB3 ASP 19 2HB ASP 19 10.370 10.393 -2.658 91 H GLU 20 H GLU 20 7.681 10.061 -0.427 92 HA GLU 20 HA GLU 20 7.829 7.373 -0.336 93 HB2 GLU 20 1HB GLU 20 5.914 9.281 0.944 94 HB3 GLU 20 2HB GLU 20 5.681 7.554 1.173 95 HG2 GLU 20 1HG GLU 20 6.979 7.979 2.975 96 HG3 GLU 20 2HG GLU 20 8.248 7.658 1.795 97 H PHE 21 H PHE 21 6.422 5.603 -0.667 98 HA PHE 21 HA PHE 21 4.620 5.991 -2.936 99 HB2 PHE 21 1HB PHE 21 5.971 4.234 -3.523 100 HB3 PHE 21 2HB PHE 21 6.189 3.706 -1.858 101 HD1 PHE 21 1HD PHE 21 3.383 4.045 -4.301 102 HD2 PHE 21 2HD PHE 21 5.298 1.667 -1.336 103 HE1 PHE 21 1HE PHE 21 1.715 2.272 -4.651 104 HE2 PHE 21 2HE PHE 21 3.633 -0.111 -1.682 105 HZ PHE 21 HZ PHE 21 1.839 0.190 -3.342 106 H TRP 22 H TRP 22 2.542 6.282 -2.511 107 HA TRP 22 HA TRP 22 1.406 5.230 -0.033 108 HB2 TRP 22 1HB TRP 22 0.225 7.120 -2.081 109 HB3 TRP 22 2HB TRP 22 -0.524 6.671 -0.551 110 HD1 TRP 22 HD TRP 22 3.068 7.938 -1.350 111 HE1 TRP 22 1HE TRP 22 3.566 9.918 0.217 112 HE3 TRP 22 3HE TRP 22 -1.416 8.188 1.094 113 HZ2 TRP 22 2HZ TRP 22 2.235 11.391 2.224 114 HZ3 TRP 22 3HZ TRP 22 -1.722 9.911 2.824 115 HH2 TRP 22 HH TRP 22 0.067 11.478 3.376 116 H ILE 23 H ILE 23 -0.561 4.033 -0.014 117 HA ILE 23 HA ILE 23 -0.911 2.401 -2.434 118 HB ILE 23 HB ILE 23 -1.636 0.621 -1.108 119 HG12 ILE 23 1HG1 ILE 23 -1.941 1.142 1.478 120 HG13 ILE 23 2HG1 ILE 23 -2.298 2.755 0.872 121 HG21 ILE 23 1HG2 ILE 23 0.752 2.001 -0.350 122 HG22 ILE 23 2HG2 ILE 23 0.077 1.175 1.053 123 HG23 ILE 23 3HG2 ILE 23 0.442 0.266 -0.414 124 HD11 ILE 23 1HD1 ILE 23 -4.088 0.701 1.150 125 HD12 ILE 23 2HD1 ILE 23 -4.316 2.147 0.166 126 HD13 ILE 23 3HD1 ILE 23 -3.709 0.665 -0.572 127 H CYS 24 H CYS 24 -3.046 1.783 -3.081 128 HA CYS 24 HA CYS 24 -5.122 3.691 -2.227 129 HB2 CYS 24 1HB CYS 24 -4.074 3.792 -4.647 130 HB3 CYS 24 2HB CYS 24 -5.176 2.454 -4.949 131 HG CYS 24 HG CYS 24 -7.349 4.153 -3.827 132 H CYS 25 H CYS 25 -6.812 2.783 -1.278 133 HA CYS 25 HA CYS 25 -7.198 -0.093 -1.462 134 HB2 CYS 25 1HB CYS 25 -7.270 0.978 0.746 135 HB3 CYS 25 2HB CYS 25 -8.617 1.983 0.221 136 H ASP 26 H ASP 26 -9.422 -0.954 -1.711 137 HA ASP 26 HA ASP 26 -10.785 0.463 -3.887 138 HB2 ASP 26 1HB ASP 26 -11.957 -1.869 -4.062 139 HB3 ASP 26 2HB ASP 26 -10.313 -1.672 -4.662 140 H LEU 27 H LEU 27 -11.455 -1.236 -0.845 141 HA LEU 27 HA LEU 27 -14.230 -0.764 -0.810 142 HB2 LEU 27 1HB LEU 27 -12.219 -1.345 1.342 143 HB3 LEU 27 2HB LEU 27 -13.923 -1.088 1.711 144 HG LEU 27 HG LEU 27 -13.219 -3.148 -0.319 145 HD11 LEU 27 1HD1 LEU 27 -13.212 -3.920 2.559 146 HD12 LEU 27 2HD1 LEU 27 -11.731 -3.303 1.828 147 HD13 LEU 27 3HD1 LEU 27 -12.506 -4.742 1.168 148 HD21 LEU 27 1HD2 LEU 27 -15.367 -3.636 -0.062 149 HD22 LEU 27 2HD2 LEU 27 -15.518 -2.294 1.073 150 HD23 LEU 27 3HD2 LEU 27 -15.128 -3.910 1.664 151 H CYS 28 H CYS 28 -11.956 0.705 1.494 152 HA CYS 28 HA CYS 28 -13.670 3.000 1.793 153 HB2 CYS 28 1HB CYS 28 -12.214 3.671 3.547 154 HB3 CYS 28 2HB CYS 28 -12.329 1.917 3.656 155 H GLU 29 H GLU 29 -10.674 2.230 0.157 156 HA GLU 29 HA GLU 29 -9.427 3.364 -1.371 157 HB2 GLU 29 1HB GLU 29 -12.051 4.795 -1.540 158 HB3 GLU 29 2HB GLU 29 -10.661 5.436 -2.405 159 HG2 GLU 29 1HG GLU 29 -11.297 2.559 -2.740 160 HG3 GLU 29 2HG GLU 29 -12.351 3.739 -3.517 161 H MET 30 H MET 30 -8.783 3.888 1.208 162 HA MET 30 HA MET 30 -8.628 6.758 1.603 163 HB2 MET 30 1HB MET 30 -8.024 4.342 3.226 164 HB3 MET 30 2HB MET 30 -7.122 5.805 3.598 165 HG2 MET 30 1HG MET 30 -9.267 7.008 3.862 166 HG3 MET 30 2HG MET 30 -10.113 5.483 3.608 167 HE1 MET 30 1HE MET 30 -9.267 7.919 5.944 168 HE2 MET 30 2HE MET 30 -10.756 7.083 6.386 169 HE3 MET 30 3HE MET 30 -9.394 7.110 7.507 170 H TRP 31 H TRP 31 -6.261 7.310 2.631 171 HA TRP 31 HA TRP 31 -4.342 6.606 0.507 172 HB2 TRP 31 1HB TRP 31 -4.953 9.198 1.864 173 HB3 TRP 31 2HB TRP 31 -3.307 8.900 1.312 174 HD1 TRP 31 HD TRP 31 -6.809 8.440 -0.331 175 HE1 TRP 31 1HE TRP 31 -6.687 9.407 -2.713 176 HE3 TRP 31 3HE TRP 31 -1.938 9.992 -0.329 177 HZ2 TRP 31 2HZ TRP 31 -4.778 10.661 -4.372 178 HZ3 TRP 31 3HZ TRP 31 -1.041 11.065 -2.353 179 HH2 TRP 31 HH TRP 31 -2.433 11.392 -4.332 180 H PHE 32 H PHE 32 -3.178 5.003 1.447 181 HA PHE 32 HA PHE 32 -1.924 5.604 4.045 182 HB2 PHE 32 1HB PHE 32 -2.340 2.853 2.869 183 HB3 PHE 32 2HB PHE 32 -1.838 3.254 4.508 184 HD1 PHE 32 1HD PHE 32 -3.654 5.119 5.529 185 HD2 PHE 32 2HD PHE 32 -4.434 1.941 2.807 186 HE1 PHE 32 1HE PHE 32 -6.003 5.075 6.259 187 HE2 PHE 32 2HE PHE 32 -6.784 1.892 3.532 188 HZ PHE 32 HZ PHE 32 -7.572 3.461 5.260 189 H HIS 33 H HIS 33 0.148 4.064 4.239 190 HA HIS 33 HA HIS 33 1.794 4.692 1.882 191 HB2 HIS 33 1HB HIS 33 2.660 4.261 4.749 192 HB3 HIS 33 2HB HIS 33 3.715 4.697 3.408 193 HD2 HIS 33 2HD HIS 33 2.119 7.214 2.169 194 HE1 HIS 33 1HE HIS 33 2.164 8.753 6.123 195 HE2 HIS 33 2HE HIS 33 1.771 9.277 3.691 196 H GLY 34 H GLY 34 3.167 3.157 1.007 197 HA2 GLY 34 1HA GLY 34 2.392 0.570 0.770 198 HA3 GLY 34 2HA GLY 34 4.069 1.067 0.608 199 H LYS 35 H LYS 35 5.167 1.426 2.837 200 HA LYS 35 HA LYS 35 5.416 -1.015 4.109 201 HB2 LYS 35 1HB LYS 35 6.613 0.195 5.883 202 HB3 LYS 35 2HB LYS 35 7.102 0.738 4.284 203 HG2 LYS 35 1HG LYS 35 5.581 2.678 4.528 204 HG3 LYS 35 2HG LYS 35 5.238 2.152 6.178 205 HD2 LYS 35 1HD LYS 35 7.694 2.296 6.643 206 HD3 LYS 35 2HD LYS 35 7.894 3.023 5.047 207 HE2 LYS 35 1HE LYS 35 6.089 4.126 7.194 208 HE3 LYS 35 2HE LYS 35 7.747 4.663 6.929 209 HZ1 LYS 35 1HZ LYS 35 6.722 4.884 4.472 210 HZ2 LYS 35 2HZ LYS 35 6.763 6.150 5.592 211 HZ3 LYS 35 3HZ LYS 35 5.354 5.233 5.403 212 H CYS 36 H CYS 36 3.458 1.783 5.065 213 HA CYS 36 HA CYS 36 2.535 0.894 7.516 214 HB2 CYS 36 1HB CYS 36 1.417 2.696 5.411 215 HB3 CYS 36 2HB CYS 36 0.379 2.221 6.751 216 H VAL 37 H VAL 37 1.077 0.358 4.313 217 HA VAL 37 HA VAL 37 -0.923 -1.419 5.389 218 HB VAL 37 HB VAL 37 -1.311 0.056 3.395 219 HG11 VAL 37 1HG1 VAL 37 0.811 -0.260 2.266 220 HG12 VAL 37 2HG1 VAL 37 0.457 -1.972 2.031 221 HG13 VAL 37 3HG1 VAL 37 -0.515 -0.749 1.212 222 HG21 VAL 37 1HG2 VAL 37 -3.027 -1.329 3.132 223 HG22 VAL 37 2HG2 VAL 37 -2.021 -2.345 2.101 224 HG23 VAL 37 3HG2 VAL 37 -2.103 -2.657 3.834 225 H LYS 38 H LYS 38 2.170 -1.916 5.290 226 HA LYS 38 HA LYS 38 3.533 -3.734 5.202 227 HB2 LYS 38 1HB LYS 38 0.911 -5.233 5.054 228 HB3 LYS 38 2HB LYS 38 2.479 -5.973 5.347 229 HG2 LYS 38 1HG LYS 38 2.619 -4.366 7.354 230 HG3 LYS 38 2HG LYS 38 0.877 -4.185 7.132 231 HD2 LYS 38 1HD LYS 38 2.140 -6.900 7.315 232 HD3 LYS 38 2HD LYS 38 1.734 -5.986 8.769 233 HE2 LYS 38 1HE LYS 38 -0.597 -5.794 7.917 234 HE3 LYS 38 2HE LYS 38 -0.151 -6.852 6.580 235 HZ1 LYS 38 1HZ LYS 38 0.185 -7.651 9.411 236 HZ2 LYS 38 2HZ LYS 38 0.209 -8.639 8.038 237 HZ3 LYS 38 3HZ LYS 38 -1.244 -7.941 8.552 238 H ILE 39 H ILE 39 3.357 -2.424 2.861 239 HA ILE 39 HA ILE 39 3.607 -4.602 0.920 240 HB ILE 39 HB ILE 39 1.962 -2.110 0.512 241 HG12 ILE 39 1HG1 ILE 39 1.293 -5.012 -0.004 242 HG13 ILE 39 2HG1 ILE 39 0.908 -4.176 1.497 243 HG21 ILE 39 1HG2 ILE 39 1.737 -3.133 -1.866 244 HG22 ILE 39 2HG2 ILE 39 3.139 -2.138 -1.474 245 HG23 ILE 39 3HG2 ILE 39 3.281 -3.896 -1.487 246 HD11 ILE 39 1HD1 ILE 39 -0.203 -3.706 -1.243 247 HD12 ILE 39 2HD1 ILE 39 -1.057 -4.108 0.247 248 HD13 ILE 39 3HD1 ILE 39 -0.348 -2.507 0.041 249 H THR 40 H THR 40 5.033 -4.175 -0.806 250 HA THR 40 HA THR 40 6.922 -2.000 -0.240 251 HB THR 40 HB THR 40 8.366 -3.364 -1.924 252 HG1 THR 40 1HG THR 40 7.785 -5.641 -1.789 253 HG21 THR 40 1HG2 THR 40 9.044 -4.930 -0.050 254 HG22 THR 40 2HG2 THR 40 7.715 -4.241 0.883 255 HG23 THR 40 3HG2 THR 40 9.042 -3.212 0.344 256 HA PRO 41 HA PRO 41 5.949 0.198 -3.915 257 HB2 PRO 41 1HB PRO 41 8.383 1.178 -4.610 258 HB3 PRO 41 2HB PRO 41 7.463 1.783 -3.228 259 HG2 PRO 41 1HG PRO 41 9.732 -0.169 -3.285 260 HG3 PRO 41 2HG PRO 41 9.439 1.174 -2.164 261 HD2 PRO 41 1HD PRO 41 8.877 -1.399 -1.533 262 HD3 PRO 41 2HD PRO 41 7.926 -0.034 -0.913 263 H ALA 42 H ALA 42 7.985 -2.520 -3.963 264 HA ALA 42 HA ALA 42 8.314 -2.476 -6.867 265 HB1 ALA 42 1HB ALA 42 10.216 -3.526 -6.430 266 HB2 ALA 42 2HB ALA 42 9.819 -3.551 -4.712 267 HB3 ALA 42 3HB ALA 42 9.315 -4.882 -5.753 268 H ARG 43 H ARG 43 6.869 -4.487 -4.322 269 HA ARG 43 HA ARG 43 5.761 -6.401 -6.105 270 HB2 ARG 43 1HB ARG 43 6.143 -6.981 -3.789 271 HB3 ARG 43 2HB ARG 43 5.068 -5.698 -3.250 272 HG2 ARG 43 1HG ARG 43 3.164 -6.839 -4.198 273 HG3 ARG 43 2HG ARG 43 4.215 -8.087 -4.872 274 HD2 ARG 43 1HD ARG 43 4.091 -7.495 -1.927 275 HD3 ARG 43 2HD ARG 43 3.002 -8.643 -2.706 276 HE ARG 43 HE ARG 43 5.814 -9.101 -3.193 277 HH11 ARG 43 2HH1 ARG 43 3.061 -9.799 -1.179 278 HH12 ARG 43 1HH1 ARG 43 3.715 -11.286 -0.577 279 HH21 ARG 43 2HH2 ARG 43 6.685 -11.057 -2.408 280 HH22 ARG 43 1HH2 ARG 43 5.776 -12.001 -1.276 281 H ALA 44 H ALA 44 4.598 -3.394 -4.716 282 HA ALA 44 HA ALA 44 1.925 -3.424 -5.042 283 HB1 ALA 44 1HB ALA 44 3.817 -1.444 -4.763 284 HB2 ALA 44 2HB ALA 44 3.021 -1.031 -6.283 285 HB3 ALA 44 3HB ALA 44 2.069 -1.209 -4.809 286 H GLU 45 H GLU 45 4.294 -3.196 -7.650 287 HA GLU 45 HA GLU 45 2.709 -2.576 -9.800 288 HB2 GLU 45 1HB GLU 45 4.914 -4.644 -9.783 289 HB3 GLU 45 2HB GLU 45 4.306 -3.788 -11.192 290 HG2 GLU 45 1HG GLU 45 4.984 -1.681 -9.737 291 HG3 GLU 45 2HG GLU 45 6.091 -2.851 -9.023 292 H HIS 46 H HIS 46 3.184 -5.765 -8.327 293 HA HIS 46 HA HIS 46 1.455 -7.102 -10.176 294 HB2 HIS 46 1HB HIS 46 2.409 -8.040 -7.463 295 HB3 HIS 46 2HB HIS 46 1.737 -9.046 -8.743 296 HD1 HIS 46 1HD HIS 46 3.304 -9.787 -10.600 297 HD2 HIS 46 2HD HIS 46 5.056 -7.113 -7.946 298 HE1 HIS 46 1HE HIS 46 5.756 -9.798 -11.156 299 HE2 HIS 46 2HE HIS 46 6.808 -8.237 -9.481 300 H ILE 47 H ILE 47 1.115 -5.745 -6.944 301 HA ILE 47 HA ILE 47 -1.481 -6.771 -6.439 302 HB ILE 47 HB ILE 47 -0.125 -4.341 -5.265 303 HG12 ILE 47 1HG1 ILE 47 -0.397 -7.126 -4.120 304 HG13 ILE 47 2HG1 ILE 47 1.041 -6.545 -4.953 305 HG21 ILE 47 1HG2 ILE 47 -2.190 -5.783 -3.739 306 HG22 ILE 47 2HG2 ILE 47 -1.855 -4.056 -3.849 307 HG23 ILE 47 3HG2 ILE 47 -2.766 -4.859 -5.127 308 HD11 ILE 47 1HD1 ILE 47 1.197 -6.466 -2.485 309 HD12 ILE 47 2HD1 ILE 47 1.424 -4.898 -3.261 310 HD13 ILE 47 3HD1 ILE 47 -0.110 -5.281 -2.479 311 H LYS 48 H LYS 48 -3.383 -6.158 -7.219 312 HA LYS 48 HA LYS 48 -3.536 -3.638 -8.720 313 HB2 LYS 48 1HB LYS 48 -4.107 -5.802 -9.869 314 HB3 LYS 48 2HB LYS 48 -5.477 -5.952 -8.777 315 HG2 LYS 48 1HG LYS 48 -6.400 -3.863 -9.645 316 HG3 LYS 48 2HG LYS 48 -5.025 -3.715 -10.743 317 HD2 LYS 48 1HD LYS 48 -5.722 -6.039 -11.596 318 HD3 LYS 48 2HD LYS 48 -7.251 -5.730 -10.770 319 HE2 LYS 48 1HE LYS 48 -6.104 -3.725 -12.678 320 HE3 LYS 48 2HE LYS 48 -7.019 -5.109 -13.272 321 HZ1 LYS 48 1HZ LYS 48 -8.547 -4.078 -11.249 322 HZ2 LYS 48 2HZ LYS 48 -8.822 -3.892 -12.907 323 HZ3 LYS 48 3HZ LYS 48 -7.962 -2.710 -12.055 324 H GLN 49 H GLN 49 -5.504 -5.617 -6.501 325 HA GLN 49 HA GLN 49 -6.566 -3.125 -5.364 326 HB2 GLN 49 1HB GLN 49 -8.181 -5.580 -6.072 327 HB3 GLN 49 2HB GLN 49 -8.790 -4.206 -5.159 328 HG2 GLN 49 1HG GLN 49 -8.160 -2.788 -7.171 329 HG3 GLN 49 2HG GLN 49 -7.969 -4.310 -8.040 330 HE21 GLN 49 1HE2 GLN 49 -9.644 -4.074 -9.435 331 HE22 GLN 49 2HE2 GLN 49 -11.302 -4.026 -8.950 332 H TYR 50 H TYR 50 -5.125 -3.385 -3.622 333 HA TYR 50 HA TYR 50 -5.221 -5.795 -2.029 334 HB2 TYR 50 1HB TYR 50 -3.095 -4.658 -2.234 335 HB3 TYR 50 2HB TYR 50 -3.791 -3.161 -1.622 336 HD1 TYR 50 2HD TYR 50 -4.396 -2.962 0.765 337 HD2 TYR 50 1HD TYR 50 -2.415 -6.410 -0.750 338 HE1 TYR 50 2HE TYR 50 -3.780 -3.608 3.057 339 HE2 TYR 50 1HE TYR 50 -1.794 -7.066 1.538 340 HH TYR 50 HH TYR 50 -1.448 -5.735 3.804 341 H LYS 51 H LYS 51 -5.907 -5.903 0.147 342 HA LYS 51 HA LYS 51 -8.134 -4.104 0.734 343 HB2 LYS 51 1HB LYS 51 -8.266 -6.683 0.784 344 HB3 LYS 51 2HB LYS 51 -7.406 -6.558 2.314 345 HG2 LYS 51 1HG LYS 51 -9.178 -5.450 3.355 346 HG3 LYS 51 2HG LYS 51 -9.941 -5.038 1.817 347 HD2 LYS 51 1HD LYS 51 -10.386 -7.439 1.436 348 HD3 LYS 51 2HD LYS 51 -9.699 -7.795 3.023 349 HE2 LYS 51 1HE LYS 51 -11.438 -6.125 3.916 350 HE3 LYS 51 2HE LYS 51 -12.221 -6.313 2.348 351 HZ1 LYS 51 1HZ LYS 51 -11.969 -8.834 2.931 352 HZ2 LYS 51 2HZ LYS 51 -13.262 -7.933 3.544 353 HZ3 LYS 51 3HZ LYS 51 -11.920 -8.258 4.521 354 H CYS 52 H CYS 52 -7.141 -2.277 1.542 355 HA CYS 52 HA CYS 52 -5.018 -1.952 3.177 356 HB2 CYS 52 1HB CYS 52 -5.821 0.148 3.674 357 HB3 CYS 52 2HB CYS 52 -6.825 -0.247 2.283 358 HA PRO 53 HA PRO 53 -5.706 -3.814 7.089 359 HB2 PRO 53 1HB PRO 53 -4.543 -2.030 8.773 360 HB3 PRO 53 2HB PRO 53 -3.615 -3.075 7.691 361 HG2 PRO 53 1HG PRO 53 -4.388 -0.203 7.349 362 HG3 PRO 53 2HG PRO 53 -2.837 -0.993 7.010 363 HD2 PRO 53 1HD PRO 53 -4.633 -0.414 5.068 364 HD3 PRO 53 2HD PRO 53 -3.561 -1.827 4.987 365 H SER 54 H SER 54 -6.930 -0.634 6.478 366 HA SER 54 HA SER 54 -8.350 -0.324 8.938 367 HB2 SER 54 1HB SER 54 -7.643 1.538 7.344 368 HB3 SER 54 2HB SER 54 -9.003 1.052 6.331 369 HG SER 54 HG SER 54 -9.018 2.173 8.913 370 H CYS 55 H CYS 55 -9.021 -1.804 5.859 371 HA CYS 55 HA CYS 55 -11.840 -2.171 6.534 372 HB2 CYS 55 1HB CYS 55 -10.264 -2.832 4.039 373 HB3 CYS 55 2HB CYS 55 -11.977 -3.179 4.245 374 H SER 56 H SER 56 -9.166 -4.239 5.386 375 HA SER 56 HA SER 56 -10.113 -6.715 5.641 376 HB2 SER 56 1HB SER 56 -7.456 -5.597 6.470 377 HB3 SER 56 2HB SER 56 -7.806 -7.306 6.731 378 HG SER 56 HG SER 56 -8.383 -7.331 4.430 379 H ASN 57 H ASN 57 -9.026 -4.775 8.412 380 HA ASN 57 HA ASN 57 -9.379 -6.589 10.450 381 HB2 ASN 57 1HB ASN 57 -8.437 -4.309 10.725 382 HB3 ASN 57 2HB ASN 57 -10.059 -3.642 10.565 383 HD21 ASN 57 1HD2 ASN 57 -8.498 -6.259 12.391 384 HD22 ASN 57 2HD2 ASN 57 -9.194 -5.838 13.915 385 H LYS 58 H LYS 58 -11.818 -4.435 9.028 386 HA LYS 58 HA LYS 58 -13.990 -4.808 10.576 387 HB2 LYS 58 1HB LYS 58 -14.007 -5.004 7.558 388 HB3 LYS 58 2HB LYS 58 -15.389 -4.608 8.572 389 HG2 LYS 58 1HG LYS 58 -14.205 -2.583 9.339 390 HG3 LYS 58 2HG LYS 58 -12.887 -2.968 8.230 391 HD2 LYS 58 1HD LYS 58 -14.186 -1.432 7.044 392 HD3 LYS 58 2HD LYS 58 -14.699 -2.996 6.407 393 HE2 LYS 58 1HE LYS 58 -16.728 -1.980 6.774 394 HE3 LYS 58 2HE LYS 58 -16.500 -2.840 8.297 395 HZ1 LYS 58 1HZ LYS 58 -15.549 -0.069 8.034 396 HZ2 LYS 58 2HZ LYS 58 -16.033 -0.907 9.421 397 HZ3 LYS 58 3HZ LYS 58 -17.191 -0.363 8.315 398 H SER 59 H SER 59 -15.716 -6.290 10.725 399 HA SER 59 HA SER 59 -15.034 -9.021 9.847 400 HB2 SER 59 1HB SER 59 -14.881 -8.710 12.303 401 HB3 SER 59 2HB SER 59 -16.575 -8.217 12.328 402 HG SER 59 HG SER 59 -17.046 -10.251 12.413 403 H GLY 60 H GLY 60 -16.331 -9.675 8.269 404 HA2 GLY 60 1HA GLY 60 -19.203 -9.452 8.570 405 HA3 GLY 60 2HA GLY 60 -18.539 -8.543 7.221 406 HA PRO 61 HA PRO 61 -19.097 -12.209 4.836 407 HB2 PRO 61 1HB PRO 61 -17.629 -11.472 2.675 408 HB3 PRO 61 2HB PRO 61 -19.233 -10.813 3.016 409 HG2 PRO 61 1HG PRO 61 -16.541 -9.623 3.563 410 HG3 PRO 61 2HG PRO 61 -17.998 -8.844 2.920 411 HD2 PRO 61 1HD PRO 61 -17.247 -8.615 5.511 412 HD3 PRO 61 2HD PRO 61 -18.949 -8.614 5.007 413 H SER 62 H SER 62 -16.267 -11.275 6.328 414 HA SER 62 HA SER 62 -14.749 -13.549 5.242 415 HB2 SER 62 1HB SER 62 -13.516 -11.496 5.027 416 HB3 SER 62 2HB SER 62 -13.832 -11.067 6.708 417 HG SER 62 HG SER 62 -11.837 -11.925 6.756 418 H SER 63 H SER 63 -13.540 -14.873 6.740 419 HA SER 63 HA SER 63 -14.738 -14.955 9.432 420 HB2 SER 63 1HB SER 63 -15.367 -16.803 7.681 421 HB3 SER 63 2HB SER 63 -13.773 -17.448 8.071 422 HG SER 63 HG SER 63 -15.814 -18.053 9.366 423 H GLY 64 H GLY 64 -13.315 -16.570 10.836 424 HA2 GLY 64 1HA GLY 64 -11.085 -17.289 11.371 425 HA3 GLY 64 2HA GLY 64 -10.468 -16.008 10.338 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -17.965 16.237 10.205 2 HA2 GLY 1 1HA GLY 1 -17.582 18.650 11.818 3 HA3 GLY 1 2HA GLY 1 -18.177 17.101 12.395 4 H SER 2 H SER 2 -16.736 15.525 13.052 5 HA SER 2 HA SER 2 -14.292 16.406 14.115 6 HB2 SER 2 1HB SER 2 -15.532 13.697 13.725 7 HB3 SER 2 2HB SER 2 -13.882 13.842 14.331 8 HG SER 2 HG SER 2 -14.606 14.676 16.159 9 H SER 3 H SER 3 -12.193 15.110 13.665 10 HA SER 3 HA SER 3 -10.422 14.764 12.281 11 HB2 SER 3 1HB SER 3 -11.949 12.900 11.506 12 HB3 SER 3 2HB SER 3 -12.453 13.960 10.190 13 HG SER 3 HG SER 3 -10.802 12.871 9.323 14 H GLY 4 H GLY 4 -11.348 17.380 12.435 15 HA2 GLY 4 1HA GLY 4 -11.986 18.863 10.294 16 HA3 GLY 4 2HA GLY 4 -10.713 19.360 11.399 17 H SER 5 H SER 5 -8.586 17.978 10.921 18 HA SER 5 HA SER 5 -7.778 18.798 8.298 19 HB2 SER 5 1HB SER 5 -6.399 18.693 10.534 20 HB3 SER 5 2HB SER 5 -6.083 17.033 10.029 21 HG SER 5 HG SER 5 -5.303 19.444 8.833 22 H SER 6 H SER 6 -9.041 17.555 6.883 23 HA SER 6 HA SER 6 -8.933 14.676 6.973 24 HB2 SER 6 1HB SER 6 -10.048 16.534 4.856 25 HB3 SER 6 2HB SER 6 -10.285 14.787 4.912 26 HG SER 6 HG SER 6 -11.912 15.192 6.161 27 H GLY 7 H GLY 7 -7.342 13.483 6.175 28 HA2 GLY 7 1HA GLY 7 -6.222 13.101 3.894 29 HA3 GLY 7 2HA GLY 7 -5.548 14.698 4.179 30 H GLN 8 H GLN 8 -5.932 11.672 6.033 31 HA GLN 8 HA GLN 8 -3.046 11.670 6.511 32 HB2 GLN 8 1HB GLN 8 -5.182 11.679 8.632 33 HB3 GLN 8 2HB GLN 8 -3.580 11.020 8.936 34 HG2 GLN 8 1HG GLN 8 -2.609 13.209 8.322 35 HG3 GLN 8 2HG GLN 8 -4.243 13.848 8.152 36 HE21 GLN 8 1HE2 GLN 8 -1.682 13.626 10.181 37 HE22 GLN 8 2HE2 GLN 8 -2.482 13.866 11.693 38 H CYS 9 H CYS 9 -2.189 9.617 7.116 39 HA CYS 9 HA CYS 9 -3.611 7.426 5.912 40 HB2 CYS 9 1HB CYS 9 -1.305 7.394 5.478 41 HB3 CYS 9 2HB CYS 9 -0.892 7.747 7.153 42 H GLY 10 H GLY 10 -5.192 6.446 6.998 43 HA2 GLY 10 1HA GLY 10 -5.790 6.515 9.655 44 HA3 GLY 10 2HA GLY 10 -6.177 5.144 8.627 45 H ALA 11 H ALA 11 -3.448 4.396 8.099 46 HA ALA 11 HA ALA 11 -3.001 2.598 10.178 47 HB1 ALA 11 1HB ALA 11 -1.971 2.954 7.683 48 HB2 ALA 11 2HB ALA 11 -0.592 3.372 8.701 49 HB3 ALA 11 3HB ALA 11 -1.367 1.796 8.869 50 H CYS 12 H CYS 12 -1.061 5.497 9.406 51 HA CYS 12 HA CYS 12 -0.305 5.620 12.252 52 HB2 CYS 12 1HB CYS 12 1.794 6.694 11.525 53 HB3 CYS 12 2HB CYS 12 1.618 5.076 10.854 54 H GLY 13 H GLY 13 -0.838 7.594 9.339 55 HA2 GLY 13 1HA GLY 13 -2.079 9.566 9.196 56 HA3 GLY 13 2HA GLY 13 -2.208 9.584 10.948 57 H GLU 14 H GLU 14 0.702 9.420 8.929 58 HA GLU 14 HA GLU 14 2.029 11.400 10.477 59 HB2 GLU 14 1HB GLU 14 2.675 10.041 7.869 60 HB3 GLU 14 2HB GLU 14 3.713 11.288 8.546 61 HG2 GLU 14 1HG GLU 14 4.113 9.967 10.509 62 HG3 GLU 14 2HG GLU 14 2.948 8.756 9.978 63 H SER 15 H SER 15 3.234 13.207 9.087 64 HA SER 15 HA SER 15 1.123 14.967 8.205 65 HB2 SER 15 1HB SER 15 4.007 15.255 8.889 66 HB3 SER 15 2HB SER 15 3.304 16.457 7.808 67 HG SER 15 HG SER 15 2.618 15.847 10.472 68 H TYR 16 H TYR 16 1.362 16.259 6.204 69 HA TYR 16 HA TYR 16 1.188 14.859 3.916 70 HB2 TYR 16 1HB TYR 16 0.726 17.257 4.036 71 HB3 TYR 16 2HB TYR 16 2.446 17.598 4.183 72 HD1 TYR 16 1HD TYR 16 0.030 15.918 1.883 73 HD2 TYR 16 2HD TYR 16 3.646 18.126 2.275 74 HE1 TYR 16 1HE TYR 16 0.205 16.055 -0.566 75 HE2 TYR 16 2HE TYR 16 3.830 18.270 -0.174 76 HH TYR 16 HH TYR 16 3.007 17.556 -2.127 77 H ALA 17 H ALA 17 2.471 13.489 2.891 78 HA ALA 17 HA ALA 17 5.347 13.567 3.346 79 HB1 ALA 17 1HB ALA 17 3.897 11.456 3.438 80 HB2 ALA 17 2HB ALA 17 3.912 11.531 1.675 81 HB3 ALA 17 3HB ALA 17 5.427 11.368 2.563 82 H ALA 18 H ALA 18 6.887 13.714 1.705 83 HA ALA 18 HA ALA 18 5.912 15.007 -0.748 84 HB1 ALA 18 1HB ALA 18 7.411 16.539 -0.107 85 HB2 ALA 18 2HB ALA 18 8.227 15.421 0.987 86 HB3 ALA 18 3HB ALA 18 8.615 15.411 -0.733 87 H ASP 19 H ASP 19 8.614 12.888 0.235 88 HA ASP 19 HA ASP 19 8.415 11.579 -2.396 89 HB2 ASP 19 1HB ASP 19 10.588 12.802 -1.555 90 HB3 ASP 19 2HB ASP 19 10.830 11.311 -0.648 91 H GLU 20 H GLU 20 6.698 10.230 -1.561 92 HA GLU 20 HA GLU 20 7.763 7.850 -0.267 93 HB2 GLU 20 1HB GLU 20 5.649 9.613 0.897 94 HB3 GLU 20 2HB GLU 20 5.524 7.874 1.127 95 HG2 GLU 20 1HG GLU 20 7.841 7.918 2.064 96 HG3 GLU 20 2HG GLU 20 7.762 9.678 2.005 97 H PHE 21 H PHE 21 6.157 6.038 -0.323 98 HA PHE 21 HA PHE 21 4.575 6.215 -2.798 99 HB2 PHE 21 1HB PHE 21 6.064 4.527 -3.258 100 HB3 PHE 21 2HB PHE 21 6.213 4.052 -1.569 101 HD1 PHE 21 1HD PHE 21 3.386 4.271 -3.999 102 HD2 PHE 21 2HD PHE 21 5.556 1.891 -1.217 103 HE1 PHE 21 1HE PHE 21 1.835 2.402 -4.394 104 HE2 PHE 21 2HE PHE 21 4.010 0.018 -1.608 105 HZ PHE 21 HZ PHE 21 2.147 0.272 -3.199 106 H TRP 22 H TRP 22 2.472 6.423 -2.449 107 HA TRP 22 HA TRP 22 1.292 5.401 0.015 108 HB2 TRP 22 1HB TRP 22 0.196 7.172 -2.176 109 HB3 TRP 22 2HB TRP 22 -0.747 6.633 -0.789 110 HD1 TRP 22 HD TRP 22 2.427 8.721 -1.538 111 HE1 TRP 22 1HE TRP 22 2.680 10.479 0.325 112 HE3 TRP 22 3HE TRP 22 -1.450 7.282 1.467 113 HZ2 TRP 22 2HZ TRP 22 1.405 11.164 2.748 114 HZ3 TRP 22 3HZ TRP 22 -1.866 8.541 3.540 115 HH2 TRP 22 HH TRP 22 -0.467 10.441 4.165 116 H ILE 23 H ILE 23 -0.683 4.153 -0.026 117 HA ILE 23 HA ILE 23 -0.725 2.284 -2.290 118 HB ILE 23 HB ILE 23 -1.625 0.642 -0.868 119 HG12 ILE 23 1HG1 ILE 23 -2.143 1.402 1.607 120 HG13 ILE 23 2HG1 ILE 23 -2.379 2.973 0.849 121 HG21 ILE 23 1HG2 ILE 23 0.591 2.250 0.245 122 HG22 ILE 23 2HG2 ILE 23 -0.117 1.034 1.306 123 HG23 ILE 23 3HG2 ILE 23 0.553 0.559 -0.254 124 HD11 ILE 23 1HD1 ILE 23 -4.106 0.661 0.892 125 HD12 ILE 23 2HD1 ILE 23 -4.463 2.334 0.459 126 HD13 ILE 23 3HD1 ILE 23 -3.811 1.229 -0.751 127 H CYS 24 H CYS 24 -2.786 1.480 -3.049 128 HA CYS 24 HA CYS 24 -4.948 3.459 -2.741 129 HB2 CYS 24 1HB CYS 24 -3.973 3.551 -4.977 130 HB3 CYS 24 2HB CYS 24 -4.217 1.820 -5.177 131 HG CYS 24 HG CYS 24 -6.425 4.342 -5.466 132 H CYS 25 H CYS 25 -6.766 2.719 -1.882 133 HA CYS 25 HA CYS 25 -7.182 -0.186 -1.761 134 HB2 CYS 25 1HB CYS 25 -7.098 1.000 0.398 135 HB3 CYS 25 2HB CYS 25 -8.443 2.015 -0.111 136 H ASP 26 H ASP 26 -9.453 -0.941 -1.883 137 HA ASP 26 HA ASP 26 -10.910 0.563 -3.952 138 HB2 ASP 26 1HB ASP 26 -10.377 -1.485 -4.925 139 HB3 ASP 26 2HB ASP 26 -10.589 -2.370 -3.417 140 H LEU 27 H LEU 27 -11.434 -1.549 -1.135 141 HA LEU 27 HA LEU 27 -14.162 -1.282 -0.860 142 HB2 LEU 27 1HB LEU 27 -11.980 -1.581 1.180 143 HB3 LEU 27 2HB LEU 27 -13.681 -1.534 1.641 144 HG LEU 27 HG LEU 27 -12.812 -3.518 -0.406 145 HD11 LEU 27 1HD1 LEU 27 -11.366 -4.522 0.941 146 HD12 LEU 27 2HD1 LEU 27 -12.685 -4.811 2.075 147 HD13 LEU 27 3HD1 LEU 27 -11.690 -3.363 2.230 148 HD21 LEU 27 1HD2 LEU 27 -15.207 -3.017 0.477 149 HD22 LEU 27 2HD2 LEU 27 -14.691 -3.958 1.876 150 HD23 LEU 27 3HD2 LEU 27 -14.683 -4.688 0.270 151 H CYS 28 H CYS 28 -11.793 0.615 1.021 152 HA CYS 28 HA CYS 28 -13.820 2.695 1.376 153 HB2 CYS 28 1HB CYS 28 -12.521 3.496 3.198 154 HB3 CYS 28 2HB CYS 28 -12.518 1.740 3.333 155 H GLU 29 H GLU 29 -10.748 2.089 -0.150 156 HA GLU 29 HA GLU 29 -9.523 3.277 -1.654 157 HB2 GLU 29 1HB GLU 29 -12.209 4.546 -1.857 158 HB3 GLU 29 2HB GLU 29 -10.852 5.383 -2.599 159 HG2 GLU 29 1HG GLU 29 -11.190 2.494 -3.180 160 HG3 GLU 29 2HG GLU 29 -12.314 3.630 -3.923 161 H MET 30 H MET 30 -8.904 3.770 0.927 162 HA MET 30 HA MET 30 -8.785 6.659 1.305 163 HB2 MET 30 1HB MET 30 -8.219 4.283 3.037 164 HB3 MET 30 2HB MET 30 -7.530 5.845 3.457 165 HG2 MET 30 1HG MET 30 -9.642 6.816 3.768 166 HG3 MET 30 2HG MET 30 -10.462 5.487 2.953 167 HE1 MET 30 1HE MET 30 -10.695 6.712 6.550 168 HE2 MET 30 2HE MET 30 -9.244 5.978 7.231 169 HE3 MET 30 3HE MET 30 -9.114 7.078 5.858 170 H TRP 31 H TRP 31 -6.503 7.229 2.457 171 HA TRP 31 HA TRP 31 -4.442 6.404 0.519 172 HB2 TRP 31 1HB TRP 31 -4.661 9.038 1.993 173 HB3 TRP 31 2HB TRP 31 -3.423 8.608 0.816 174 HD1 TRP 31 HD TRP 31 -6.763 10.200 1.070 175 HE1 TRP 31 1HE TRP 31 -7.719 10.652 -1.276 176 HE3 TRP 31 3HE TRP 31 -3.488 7.410 -1.692 177 HZ2 TRP 31 2HZ TRP 31 -7.161 9.921 -3.945 178 HZ3 TRP 31 3HZ TRP 31 -3.769 7.339 -4.136 179 HH2 TRP 31 HH TRP 31 -5.568 8.568 -5.237 180 H PHE 32 H PHE 32 -3.003 5.087 1.407 181 HA PHE 32 HA PHE 32 -2.113 5.637 4.160 182 HB2 PHE 32 1HB PHE 32 -2.282 2.876 2.951 183 HB3 PHE 32 2HB PHE 32 -1.974 3.298 4.632 184 HD1 PHE 32 1HD PHE 32 -3.957 4.984 5.540 185 HD2 PHE 32 2HD PHE 32 -4.332 1.939 2.589 186 HE1 PHE 32 1HE PHE 32 -6.364 4.816 6.023 187 HE2 PHE 32 2HE PHE 32 -6.739 1.767 3.067 188 HZ PHE 32 HZ PHE 32 -7.759 3.207 4.785 189 H HIS 33 H HIS 33 -0.022 4.049 4.464 190 HA HIS 33 HA HIS 33 1.825 4.927 2.353 191 HB2 HIS 33 1HB HIS 33 2.317 4.203 5.247 192 HB3 HIS 33 2HB HIS 33 3.596 4.573 4.094 193 HD2 HIS 33 2HD HIS 33 2.850 7.314 2.836 194 HE1 HIS 33 1HE HIS 33 1.789 8.650 6.721 195 HE2 HIS 33 2HE HIS 33 2.285 9.336 4.348 196 H GLY 34 H GLY 34 3.050 3.502 1.233 197 HA2 GLY 34 1HA GLY 34 2.306 0.903 0.829 198 HA3 GLY 34 2HA GLY 34 3.934 1.494 0.528 199 H LYS 35 H LYS 35 4.773 2.038 3.115 200 HA LYS 35 HA LYS 35 5.529 -0.550 3.991 201 HB2 LYS 35 1HB LYS 35 6.627 0.632 5.853 202 HB3 LYS 35 2HB LYS 35 6.998 1.366 4.299 203 HG2 LYS 35 1HG LYS 35 5.180 3.037 4.777 204 HG3 LYS 35 2HG LYS 35 5.119 2.379 6.414 205 HD2 LYS 35 1HD LYS 35 6.548 4.260 6.520 206 HD3 LYS 35 2HD LYS 35 7.605 2.847 6.549 207 HE2 LYS 35 1HE LYS 35 8.535 4.483 5.055 208 HE3 LYS 35 2HE LYS 35 7.948 3.116 4.108 209 HZ1 LYS 35 1HZ LYS 35 5.964 4.373 3.573 210 HZ2 LYS 35 2HZ LYS 35 7.343 5.236 3.107 211 HZ3 LYS 35 3HZ LYS 35 6.500 5.679 4.505 212 H CYS 36 H CYS 36 3.254 1.858 5.244 213 HA CYS 36 HA CYS 36 2.553 0.592 7.621 214 HB2 CYS 36 1HB CYS 36 1.180 2.522 5.798 215 HB3 CYS 36 2HB CYS 36 0.248 1.777 7.093 216 H VAL 37 H VAL 37 1.110 0.266 4.391 217 HA VAL 37 HA VAL 37 -0.785 -1.711 5.226 218 HB VAL 37 HB VAL 37 -1.023 -0.147 3.229 219 HG11 VAL 37 1HG1 VAL 37 -0.122 -0.976 1.099 220 HG12 VAL 37 2HG1 VAL 37 1.158 -0.524 2.227 221 HG13 VAL 37 3HG1 VAL 37 0.765 -2.225 1.971 222 HG21 VAL 37 1HG2 VAL 37 -2.752 -1.595 3.200 223 HG22 VAL 37 2HG2 VAL 37 -1.896 -2.274 1.816 224 HG23 VAL 37 3HG2 VAL 37 -1.714 -3.005 3.410 225 H LYS 38 H LYS 38 2.406 -1.949 5.164 226 HA LYS 38 HA LYS 38 3.906 -3.656 5.059 227 HB2 LYS 38 1HB LYS 38 1.304 -5.103 5.361 228 HB3 LYS 38 2HB LYS 38 2.764 -6.027 5.035 229 HG2 LYS 38 1HG LYS 38 2.798 -4.034 7.243 230 HG3 LYS 38 2HG LYS 38 1.965 -5.570 7.488 231 HD2 LYS 38 1HD LYS 38 3.966 -6.803 7.025 232 HD3 LYS 38 2HD LYS 38 4.813 -5.337 6.525 233 HE2 LYS 38 1HE LYS 38 3.662 -5.547 9.278 234 HE3 LYS 38 2HE LYS 38 5.205 -6.314 8.905 235 HZ1 LYS 38 1HZ LYS 38 4.871 -3.533 8.088 236 HZ2 LYS 38 2HZ LYS 38 6.242 -4.331 8.675 237 HZ3 LYS 38 3HZ LYS 38 5.032 -3.828 9.746 238 H ILE 39 H ILE 39 3.319 -2.423 2.648 239 HA ILE 39 HA ILE 39 3.681 -4.662 0.775 240 HB ILE 39 HB ILE 39 1.953 -2.226 0.379 241 HG12 ILE 39 1HG1 ILE 39 1.332 -5.146 -0.079 242 HG13 ILE 39 2HG1 ILE 39 1.021 -4.325 1.447 243 HG21 ILE 39 1HG2 ILE 39 3.258 -2.390 -1.609 244 HG22 ILE 39 2HG2 ILE 39 3.034 -4.137 -1.680 245 HG23 ILE 39 3HG2 ILE 39 1.666 -3.060 -1.963 246 HD11 ILE 39 1HD1 ILE 39 -0.132 -3.454 -1.188 247 HD12 ILE 39 2HD1 ILE 39 -0.952 -4.524 -0.050 248 HD13 ILE 39 3HD1 ILE 39 -0.559 -2.870 0.420 249 H THR 40 H THR 40 5.272 -4.420 -0.715 250 HA THR 40 HA THR 40 7.104 -2.213 -0.334 251 HB THR 40 HB THR 40 8.420 -3.479 -2.157 252 HG1 THR 40 1HG THR 40 6.789 -5.660 -1.406 253 HG21 THR 40 1HG2 THR 40 8.161 -5.372 0.057 254 HG22 THR 40 2HG2 THR 40 8.339 -3.696 0.578 255 HG23 THR 40 3HG2 THR 40 9.555 -4.429 -0.468 256 HA PRO 41 HA PRO 41 5.957 0.249 -3.784 257 HB2 PRO 41 1HB PRO 41 8.370 1.181 -4.608 258 HB3 PRO 41 2HB PRO 41 7.584 1.730 -3.122 259 HG2 PRO 41 1HG PRO 41 9.758 -0.297 -3.477 260 HG3 PRO 41 2HG PRO 41 9.608 0.981 -2.257 261 HD2 PRO 41 1HD PRO 41 8.990 -1.604 -1.743 262 HD3 PRO 41 2HD PRO 41 8.146 -0.248 -0.967 263 H ALA 42 H ALA 42 8.194 -2.366 -4.205 264 HA ALA 42 HA ALA 42 8.133 -2.202 -7.106 265 HB1 ALA 42 1HB ALA 42 9.287 -4.642 -6.253 266 HB2 ALA 42 2HB ALA 42 10.093 -3.220 -6.917 267 HB3 ALA 42 3HB ALA 42 9.864 -3.370 -5.175 268 H ARG 43 H ARG 43 7.071 -4.466 -4.573 269 HA ARG 43 HA ARG 43 5.841 -6.322 -6.280 270 HB2 ARG 43 1HB ARG 43 6.308 -6.951 -4.021 271 HB3 ARG 43 2HB ARG 43 5.342 -5.625 -3.388 272 HG2 ARG 43 1HG ARG 43 3.316 -6.664 -4.106 273 HG3 ARG 43 2HG ARG 43 4.208 -7.907 -4.985 274 HD2 ARG 43 1HD ARG 43 4.499 -7.514 -2.020 275 HD3 ARG 43 2HD ARG 43 3.249 -8.547 -2.713 276 HE ARG 43 HE ARG 43 6.078 -9.096 -2.561 277 HH11 ARG 43 2HH1 ARG 43 3.060 -9.862 -4.118 278 HH12 ARG 43 1HH1 ARG 43 3.572 -11.438 -4.625 279 HH21 ARG 43 2HH2 ARG 43 6.763 -11.168 -3.223 280 HH22 ARG 43 1HH2 ARG 43 5.678 -12.180 -4.115 281 H ALA 44 H ALA 44 4.650 -3.367 -4.785 282 HA ALA 44 HA ALA 44 1.981 -3.440 -5.003 283 HB1 ALA 44 1HB ALA 44 2.904 -1.411 -4.307 284 HB2 ALA 44 2HB ALA 44 3.867 -1.240 -5.775 285 HB3 ALA 44 3HB ALA 44 2.118 -1.023 -5.838 286 H GLU 45 H GLU 45 4.205 -3.130 -7.733 287 HA GLU 45 HA GLU 45 2.503 -2.568 -9.799 288 HB2 GLU 45 1HB GLU 45 4.994 -4.191 -9.587 289 HB3 GLU 45 2HB GLU 45 4.077 -4.281 -11.084 290 HG2 GLU 45 1HG GLU 45 5.013 -1.704 -9.851 291 HG3 GLU 45 2HG GLU 45 5.917 -2.599 -11.071 292 H HIS 46 H HIS 46 3.212 -5.795 -8.482 293 HA HIS 46 HA HIS 46 1.377 -7.141 -10.193 294 HB2 HIS 46 1HB HIS 46 2.503 -8.089 -7.552 295 HB3 HIS 46 2HB HIS 46 1.803 -9.094 -8.818 296 HD1 HIS 46 1HD HIS 46 3.451 -10.134 -10.334 297 HD2 HIS 46 2HD HIS 46 4.943 -6.681 -8.570 298 HE1 HIS 46 1HE HIS 46 5.835 -9.957 -11.114 299 HE2 HIS 46 2HE HIS 46 6.743 -7.907 -9.967 300 H ILE 47 H ILE 47 1.201 -5.849 -6.919 301 HA ILE 47 HA ILE 47 -1.272 -6.956 -6.185 302 HB ILE 47 HB ILE 47 -0.009 -4.357 -5.307 303 HG12 ILE 47 1HG1 ILE 47 -0.055 -7.084 -3.996 304 HG13 ILE 47 2HG1 ILE 47 1.322 -6.392 -4.846 305 HG21 ILE 47 1HG2 ILE 47 -2.583 -4.815 -4.981 306 HG22 ILE 47 2HG2 ILE 47 -2.002 -5.819 -3.653 307 HG23 ILE 47 3HG2 ILE 47 -1.612 -4.100 -3.694 308 HD11 ILE 47 1HD1 ILE 47 0.052 -5.273 -2.359 309 HD12 ILE 47 2HD1 ILE 47 1.559 -6.186 -2.436 310 HD13 ILE 47 3HD1 ILE 47 1.447 -4.603 -3.204 311 H LYS 48 H LYS 48 -3.354 -6.342 -6.487 312 HA LYS 48 HA LYS 48 -3.882 -3.861 -7.963 313 HB2 LYS 48 1HB LYS 48 -3.829 -5.706 -9.594 314 HB3 LYS 48 2HB LYS 48 -5.047 -6.564 -8.660 315 HG2 LYS 48 1HG LYS 48 -6.610 -4.683 -9.057 316 HG3 LYS 48 2HG LYS 48 -5.393 -3.943 -10.099 317 HD2 LYS 48 1HD LYS 48 -5.433 -5.955 -11.526 318 HD3 LYS 48 2HD LYS 48 -6.703 -6.632 -10.504 319 HE2 LYS 48 1HE LYS 48 -7.928 -5.704 -12.222 320 HE3 LYS 48 2HE LYS 48 -7.938 -4.403 -11.033 321 HZ1 LYS 48 1HZ LYS 48 -7.304 -3.229 -12.843 322 HZ2 LYS 48 2HZ LYS 48 -6.585 -4.553 -13.613 323 HZ3 LYS 48 3HZ LYS 48 -5.766 -3.750 -12.369 324 H GLN 49 H GLN 49 -4.979 -2.745 -6.462 325 HA GLN 49 HA GLN 49 -6.670 -2.119 -5.074 326 HB2 GLN 49 1HB GLN 49 -7.928 -4.396 -6.555 327 HB3 GLN 49 2HB GLN 49 -8.772 -3.682 -5.187 328 HG2 GLN 49 1HG GLN 49 -8.760 -1.519 -6.258 329 HG3 GLN 49 2HG GLN 49 -7.810 -2.160 -7.598 330 HE21 GLN 49 1HE2 GLN 49 -8.941 -4.364 -8.378 331 HE22 GLN 49 2HE2 GLN 49 -10.601 -4.148 -8.807 332 H TYR 50 H TYR 50 -4.712 -3.218 -3.734 333 HA TYR 50 HA TYR 50 -5.236 -5.573 -2.296 334 HB2 TYR 50 1HB TYR 50 -3.005 -4.751 -2.305 335 HB3 TYR 50 2HB TYR 50 -3.505 -3.177 -1.697 336 HD1 TYR 50 2HD TYR 50 -4.105 -2.895 0.672 337 HD2 TYR 50 1HD TYR 50 -2.662 -6.609 -0.819 338 HE1 TYR 50 2HE TYR 50 -3.654 -3.636 2.973 339 HE2 TYR 50 1HE TYR 50 -2.208 -7.362 1.478 340 HH TYR 50 HH TYR 50 -3.150 -6.762 3.831 341 H LYS 51 H LYS 51 -5.957 -5.890 -0.158 342 HA LYS 51 HA LYS 51 -8.060 -4.049 0.629 343 HB2 LYS 51 1HB LYS 51 -8.506 -6.467 0.585 344 HB3 LYS 51 2HB LYS 51 -7.251 -6.722 1.790 345 HG2 LYS 51 1HG LYS 51 -8.518 -5.453 3.420 346 HG3 LYS 51 2HG LYS 51 -9.757 -5.105 2.212 347 HD2 LYS 51 1HD LYS 51 -9.013 -7.933 2.871 348 HD3 LYS 51 2HD LYS 51 -10.144 -7.039 3.890 349 HE2 LYS 51 1HE LYS 51 -11.578 -6.635 1.959 350 HE3 LYS 51 2HE LYS 51 -10.437 -7.490 0.921 351 HZ1 LYS 51 1HZ LYS 51 -10.864 -9.512 2.109 352 HZ2 LYS 51 2HZ LYS 51 -12.342 -8.863 1.605 353 HZ3 LYS 51 3HZ LYS 51 -11.861 -8.716 3.220 354 H CYS 52 H CYS 52 -7.099 -2.277 1.545 355 HA CYS 52 HA CYS 52 -4.902 -2.113 3.166 356 HB2 CYS 52 1HB CYS 52 -5.592 0.021 3.715 357 HB3 CYS 52 2HB CYS 52 -6.560 -0.277 2.275 358 HA PRO 53 HA PRO 53 -5.772 -4.024 7.018 359 HB2 PRO 53 1HB PRO 53 -4.469 -2.387 8.748 360 HB3 PRO 53 2HB PRO 53 -3.629 -3.483 7.645 361 HG2 PRO 53 1HG PRO 53 -4.150 -0.548 7.368 362 HG3 PRO 53 2HG PRO 53 -2.670 -1.459 7.015 363 HD2 PRO 53 1HD PRO 53 -4.399 -0.683 5.081 364 HD3 PRO 53 2HD PRO 53 -3.452 -2.181 4.971 365 H SER 54 H SER 54 -6.692 -0.722 6.500 366 HA SER 54 HA SER 54 -8.108 -0.368 8.956 367 HB2 SER 54 1HB SER 54 -7.780 1.153 6.426 368 HB3 SER 54 2HB SER 54 -9.235 1.485 7.366 369 HG SER 54 HG SER 54 -7.929 2.750 8.433 370 H CYS 55 H CYS 55 -8.852 -1.737 5.858 371 HA CYS 55 HA CYS 55 -11.713 -1.812 6.445 372 HB2 CYS 55 1HB CYS 55 -10.120 -2.601 4.002 373 HB3 CYS 55 2HB CYS 55 -11.858 -2.840 4.148 374 H SER 56 H SER 56 -9.138 -4.103 5.534 375 HA SER 56 HA SER 56 -10.452 -6.478 5.783 376 HB2 SER 56 1HB SER 56 -8.379 -7.504 5.918 377 HB3 SER 56 2HB SER 56 -7.927 -5.923 5.282 378 HG SER 56 HG SER 56 -7.820 -6.752 7.995 379 H ASN 57 H ASN 57 -9.417 -4.348 8.348 380 HA ASN 57 HA ASN 57 -9.504 -6.021 10.547 381 HB2 ASN 57 1HB ASN 57 -8.768 -3.895 11.073 382 HB3 ASN 57 2HB ASN 57 -10.038 -3.109 10.139 383 HD21 ASN 57 1HD2 ASN 57 -9.921 -5.426 12.828 384 HD22 ASN 57 2HD2 ASN 57 -11.024 -4.563 13.840 385 H LYS 58 H LYS 58 -12.194 -4.002 9.351 386 HA LYS 58 HA LYS 58 -14.147 -5.095 11.044 387 HB2 LYS 58 1HB LYS 58 -15.741 -3.931 9.741 388 HB3 LYS 58 2HB LYS 58 -14.283 -2.949 9.689 389 HG2 LYS 58 1HG LYS 58 -13.864 -3.445 7.477 390 HG3 LYS 58 2HG LYS 58 -14.809 -4.936 7.525 391 HD2 LYS 58 1HD LYS 58 -16.868 -3.664 7.637 392 HD3 LYS 58 2HD LYS 58 -15.961 -2.152 7.708 393 HE2 LYS 58 1HE LYS 58 -14.927 -3.093 5.461 394 HE3 LYS 58 2HE LYS 58 -16.452 -3.977 5.411 395 HZ1 LYS 58 1HZ LYS 58 -17.477 -2.155 4.727 396 HZ2 LYS 58 2HZ LYS 58 -15.996 -1.340 4.674 397 HZ3 LYS 58 3HZ LYS 58 -16.943 -1.282 6.075 398 H SER 59 H SER 59 -16.111 -6.297 10.229 399 HA SER 59 HA SER 59 -15.191 -8.659 8.771 400 HB2 SER 59 1HB SER 59 -16.450 -8.638 11.080 401 HB3 SER 59 2HB SER 59 -17.886 -8.477 10.069 402 HG SER 59 HG SER 59 -17.162 -10.685 10.619 403 H GLY 60 H GLY 60 -15.277 -7.907 6.643 404 HA2 GLY 60 1HA GLY 60 -17.993 -7.797 5.548 405 HA3 GLY 60 2HA GLY 60 -16.908 -6.462 5.189 406 HA PRO 61 HA PRO 61 -15.020 -10.379 3.053 407 HB2 PRO 61 1HB PRO 61 -16.606 -12.581 2.968 408 HB3 PRO 61 2HB PRO 61 -15.458 -12.273 4.277 409 HG2 PRO 61 1HG PRO 61 -18.413 -11.800 4.198 410 HG3 PRO 61 2HG PRO 61 -17.423 -12.482 5.502 411 HD2 PRO 61 1HD PRO 61 -18.268 -9.909 5.508 412 HD3 PRO 61 2HD PRO 61 -16.723 -10.409 6.226 413 H SER 62 H SER 62 -15.187 -9.527 1.058 414 HA SER 62 HA SER 62 -17.458 -10.299 -0.580 415 HB2 SER 62 1HB SER 62 -16.810 -7.460 0.133 416 HB3 SER 62 2HB SER 62 -17.473 -7.825 -1.460 417 HG SER 62 HG SER 62 -19.170 -7.414 -0.070 418 H SER 63 H SER 63 -17.049 -10.152 -2.839 419 HA SER 63 HA SER 63 -15.699 -10.629 -4.624 420 HB2 SER 63 1HB SER 63 -14.328 -8.797 -5.332 421 HB3 SER 63 2HB SER 63 -15.713 -8.104 -4.487 422 HG SER 63 HG SER 63 -14.431 -7.720 -2.719 423 H GLY 64 H GLY 64 -15.010 -12.170 -2.418 424 HA2 GLY 64 1HA GLY 64 -13.338 -13.590 -1.740 425 HA3 GLY 64 2HA GLY 64 -12.420 -13.040 -3.134 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -4.169 22.030 17.481 2 HA2 GLY 1 1HA GLY 1 -6.492 21.482 16.796 3 HA3 GLY 1 2HA GLY 1 -5.671 22.442 15.574 4 H SER 2 H SER 2 -7.863 20.480 15.329 5 HA SER 2 HA SER 2 -6.575 18.393 13.718 6 HB2 SER 2 1HB SER 2 -8.271 17.782 15.500 7 HB3 SER 2 2HB SER 2 -9.492 18.556 14.490 8 HG SER 2 HG SER 2 -7.824 16.657 13.304 9 H SER 3 H SER 3 -6.107 19.471 11.829 10 HA SER 3 HA SER 3 -8.335 19.891 10.044 11 HB2 SER 3 1HB SER 3 -7.808 22.096 11.382 12 HB3 SER 3 2HB SER 3 -6.462 22.220 10.250 13 HG SER 3 HG SER 3 -7.833 22.881 8.818 14 H GLY 4 H GLY 4 -7.554 20.456 7.810 15 HA2 GLY 4 1HA GLY 4 -4.944 20.386 6.940 16 HA3 GLY 4 2HA GLY 4 -5.409 18.700 7.115 17 H SER 5 H SER 5 -5.459 21.415 5.106 18 HA SER 5 HA SER 5 -7.666 21.361 3.573 19 HB2 SER 5 1HB SER 5 -5.920 22.846 2.947 20 HB3 SER 5 2HB SER 5 -4.784 21.521 2.690 21 HG SER 5 HG SER 5 -6.582 22.606 0.975 22 H SER 6 H SER 6 -4.909 19.164 3.035 23 HA SER 6 HA SER 6 -6.603 17.479 1.354 24 HB2 SER 6 1HB SER 6 -3.629 17.518 1.882 25 HB3 SER 6 2HB SER 6 -4.416 16.244 0.951 26 HG SER 6 HG SER 6 -4.534 17.552 -0.685 27 H GLY 7 H GLY 7 -6.446 15.094 1.644 28 HA2 GLY 7 1HA GLY 7 -7.198 14.384 4.285 29 HA3 GLY 7 2HA GLY 7 -6.940 13.269 2.951 30 H GLN 8 H GLN 8 -6.224 12.446 5.410 31 HA GLN 8 HA GLN 8 -3.291 12.465 5.246 32 HB2 GLN 8 1HB GLN 8 -3.997 13.950 7.086 33 HB3 GLN 8 2HB GLN 8 -4.892 12.617 7.806 34 HG2 GLN 8 1HG GLN 8 -2.917 11.435 8.315 35 HG3 GLN 8 2HG GLN 8 -1.937 12.490 7.298 36 HE21 GLN 8 1HE2 GLN 8 -2.964 11.852 10.405 37 HE22 GLN 8 2HE2 GLN 8 -2.486 13.333 11.154 38 H CYS 9 H CYS 9 -2.257 10.569 6.046 39 HA CYS 9 HA CYS 9 -3.496 8.172 5.349 40 HB2 CYS 9 1HB CYS 9 -1.108 8.287 5.356 41 HB3 CYS 9 2HB CYS 9 -1.072 8.729 7.060 42 H GLY 10 H GLY 10 -4.736 6.733 6.402 43 HA2 GLY 10 1HA GLY 10 -5.804 7.464 8.976 44 HA3 GLY 10 2HA GLY 10 -6.271 6.074 8.007 45 H ALA 11 H ALA 11 -3.657 4.952 7.741 46 HA ALA 11 HA ALA 11 -3.559 3.282 9.955 47 HB1 ALA 11 1HB ALA 11 -1.890 3.786 7.615 48 HB2 ALA 11 2HB ALA 11 -0.987 3.200 9.013 49 HB3 ALA 11 3HB ALA 11 -2.341 2.263 8.382 50 H CYS 12 H CYS 12 -1.081 5.728 9.167 51 HA CYS 12 HA CYS 12 -0.610 6.034 12.059 52 HB2 CYS 12 1HB CYS 12 1.675 6.541 11.593 53 HB3 CYS 12 2HB CYS 12 1.277 5.098 10.667 54 H GLY 13 H GLY 13 -0.663 7.792 8.971 55 HA2 GLY 13 1HA GLY 13 -1.664 9.887 8.619 56 HA3 GLY 13 2HA GLY 13 -1.744 10.117 10.359 57 H GLU 14 H GLU 14 1.033 9.325 8.293 58 HA GLU 14 HA GLU 14 2.611 11.357 9.587 59 HB2 GLU 14 1HB GLU 14 3.109 9.177 7.627 60 HB3 GLU 14 2HB GLU 14 4.230 10.530 7.626 61 HG2 GLU 14 1HG GLU 14 4.238 10.076 10.223 62 HG3 GLU 14 2HG GLU 14 3.745 8.466 9.702 63 H SER 15 H SER 15 4.154 12.570 7.881 64 HA SER 15 HA SER 15 2.484 14.505 6.647 65 HB2 SER 15 1HB SER 15 5.420 14.068 6.907 66 HB3 SER 15 2HB SER 15 4.866 15.154 5.632 67 HG SER 15 HG SER 15 3.544 16.080 7.485 68 H TYR 16 H TYR 16 2.659 15.172 4.364 69 HA TYR 16 HA TYR 16 2.130 12.961 2.641 70 HB2 TYR 16 1HB TYR 16 1.025 15.216 2.491 71 HB3 TYR 16 2HB TYR 16 2.535 15.849 1.847 72 HD1 TYR 16 1HD TYR 16 -0.167 13.388 1.203 73 HD2 TYR 16 2HD TYR 16 3.054 15.632 -0.438 74 HE1 TYR 16 1HE TYR 16 -0.860 12.717 -1.060 75 HE2 TYR 16 2HE TYR 16 2.370 14.968 -2.705 76 HH TYR 16 HH TYR 16 -0.433 13.946 -3.556 77 H ALA 17 H ALA 17 3.253 12.349 0.752 78 HA ALA 17 HA ALA 17 6.089 13.153 0.692 79 HB1 ALA 17 1HB ALA 17 4.955 10.398 0.224 80 HB2 ALA 17 2HB ALA 17 6.645 10.855 0.007 81 HB3 ALA 17 3HB ALA 17 5.913 10.918 1.611 82 H ALA 18 H ALA 18 7.138 12.641 -1.449 83 HA ALA 18 HA ALA 18 5.237 13.062 -3.662 84 HB1 ALA 18 1HB ALA 18 7.990 14.222 -3.739 85 HB2 ALA 18 2HB ALA 18 6.536 14.724 -4.603 86 HB3 ALA 18 3HB ALA 18 6.699 15.062 -2.880 87 H ASP 19 H ASP 19 8.662 12.237 -3.080 88 HA ASP 19 HA ASP 19 8.649 10.494 -5.407 89 HB2 ASP 19 1HB ASP 19 10.564 12.085 -4.712 90 HB3 ASP 19 2HB ASP 19 10.963 10.853 -3.519 91 H GLU 20 H GLU 20 6.895 9.491 -3.635 92 HA GLU 20 HA GLU 20 8.214 7.021 -2.802 93 HB2 GLU 20 1HB GLU 20 6.521 8.748 -0.994 94 HB3 GLU 20 2HB GLU 20 6.887 7.063 -0.655 95 HG2 GLU 20 1HG GLU 20 9.358 7.828 -0.935 96 HG3 GLU 20 2HG GLU 20 8.694 9.433 -0.636 97 H PHE 21 H PHE 21 6.850 5.211 -2.731 98 HA PHE 21 HA PHE 21 4.646 5.316 -4.536 99 HB2 PHE 21 1HB PHE 21 5.700 3.277 -4.689 100 HB3 PHE 21 2HB PHE 21 6.025 3.195 -2.961 101 HD1 PHE 21 1HD PHE 21 3.110 3.202 -5.290 102 HD2 PHE 21 2HD PHE 21 4.860 1.650 -1.734 103 HE1 PHE 21 1HE PHE 21 1.187 1.693 -5.006 104 HE2 PHE 21 2HE PHE 21 2.940 0.138 -1.445 105 HZ PHE 21 HZ PHE 21 1.101 0.158 -3.083 106 H TRP 22 H TRP 22 2.459 4.954 -4.138 107 HA TRP 22 HA TRP 22 1.619 5.220 -1.326 108 HB2 TRP 22 1HB TRP 22 0.730 6.731 -3.752 109 HB3 TRP 22 2HB TRP 22 -0.422 6.442 -2.452 110 HD1 TRP 22 HD TRP 22 2.852 8.308 -3.184 111 HE1 TRP 22 1HE TRP 22 3.174 10.123 -1.388 112 HE3 TRP 22 3HE TRP 22 -1.028 7.084 -0.087 113 HZ2 TRP 22 2HZ TRP 22 1.947 10.930 1.022 114 HZ3 TRP 22 3HZ TRP 22 -1.384 8.428 1.943 115 HH2 TRP 22 HH TRP 22 0.073 10.310 2.485 116 H ILE 23 H ILE 23 -0.088 3.988 -0.660 117 HA ILE 23 HA ILE 23 -1.078 2.012 -2.601 118 HB ILE 23 HB ILE 23 -0.166 0.702 -0.965 119 HG12 ILE 23 1HG1 ILE 23 -1.915 -0.229 0.405 120 HG13 ILE 23 2HG1 ILE 23 -2.840 1.267 0.328 121 HG21 ILE 23 1HG2 ILE 23 -1.022 2.708 1.118 122 HG22 ILE 23 2HG2 ILE 23 -0.061 1.258 1.405 123 HG23 ILE 23 3HG2 ILE 23 0.593 2.569 0.423 124 HD11 ILE 23 1HD1 ILE 23 -2.692 0.724 -2.280 125 HD12 ILE 23 2HD1 ILE 23 -2.592 -0.916 -1.637 126 HD13 ILE 23 3HD1 ILE 23 -3.972 0.107 -1.235 127 H CYS 24 H CYS 24 -3.014 2.518 -3.380 128 HA CYS 24 HA CYS 24 -4.920 3.963 -1.693 129 HB2 CYS 24 1HB CYS 24 -4.561 4.930 -3.880 130 HB3 CYS 24 2HB CYS 24 -4.898 3.390 -4.661 131 HG CYS 24 HG CYS 24 -7.413 4.458 -2.745 132 H CYS 25 H CYS 25 -6.623 3.000 -0.800 133 HA CYS 25 HA CYS 25 -7.068 0.177 -1.304 134 HB2 CYS 25 1HB CYS 25 -7.040 0.859 1.004 135 HB3 CYS 25 2HB CYS 25 -8.251 2.102 0.703 136 H ASP 26 H ASP 26 -9.272 -0.663 -1.590 137 HA ASP 26 HA ASP 26 -10.714 0.958 -3.546 138 HB2 ASP 26 1HB ASP 26 -9.977 -1.556 -3.804 139 HB3 ASP 26 2HB ASP 26 -11.454 -1.868 -2.896 140 H LEU 27 H LEU 27 -11.224 -0.729 -0.488 141 HA LEU 27 HA LEU 27 -14.008 -0.178 -0.320 142 HB2 LEU 27 1HB LEU 27 -11.936 -0.997 1.693 143 HB3 LEU 27 2HB LEU 27 -13.609 -0.688 2.151 144 HG LEU 27 HG LEU 27 -14.039 -2.460 0.201 145 HD11 LEU 27 1HD1 LEU 27 -11.413 -3.357 1.370 146 HD12 LEU 27 2HD1 LEU 27 -11.590 -2.653 -0.237 147 HD13 LEU 27 3HD1 LEU 27 -12.385 -4.179 0.148 148 HD21 LEU 27 1HD2 LEU 27 -14.993 -2.878 2.269 149 HD22 LEU 27 2HD2 LEU 27 -13.443 -2.837 3.109 150 HD23 LEU 27 3HD2 LEU 27 -13.860 -4.218 2.094 151 H CYS 28 H CYS 28 -11.371 1.104 1.714 152 HA CYS 28 HA CYS 28 -12.929 3.315 2.601 153 HB2 CYS 28 1HB CYS 28 -9.932 3.266 2.742 154 HB3 CYS 28 2HB CYS 28 -11.087 3.909 3.905 155 H GLU 29 H GLU 29 -10.261 2.979 0.283 156 HA GLU 29 HA GLU 29 -9.678 4.239 -1.526 157 HB2 GLU 29 1HB GLU 29 -12.328 4.447 -1.576 158 HB3 GLU 29 2HB GLU 29 -11.962 6.119 -1.171 159 HG2 GLU 29 1HG GLU 29 -10.608 6.343 -3.158 160 HG3 GLU 29 2HG GLU 29 -10.855 4.642 -3.548 161 H MET 30 H MET 30 -8.533 4.793 0.922 162 HA MET 30 HA MET 30 -8.331 7.731 0.939 163 HB2 MET 30 1HB MET 30 -8.096 5.668 3.083 164 HB3 MET 30 2HB MET 30 -7.147 7.141 3.233 165 HG2 MET 30 1HG MET 30 -9.382 8.353 2.809 166 HG3 MET 30 2HG MET 30 -10.115 6.805 3.221 167 HE1 MET 30 1HE MET 30 -10.175 6.629 6.849 168 HE2 MET 30 2HE MET 30 -11.324 7.334 5.711 169 HE3 MET 30 3HE MET 30 -10.434 5.874 5.276 170 H TRP 31 H TRP 31 -6.044 8.371 1.896 171 HA TRP 31 HA TRP 31 -4.088 7.114 0.111 172 HB2 TRP 31 1HB TRP 31 -4.078 9.789 1.521 173 HB3 TRP 31 2HB TRP 31 -2.742 9.182 0.548 174 HD1 TRP 31 HD TRP 31 -4.451 8.029 -1.895 175 HE1 TRP 31 1HE TRP 31 -5.574 9.674 -3.525 176 HE3 TRP 31 3HE TRP 31 -4.581 12.173 1.096 177 HZ2 TRP 31 2HZ TRP 31 -6.405 12.372 -3.540 178 HZ3 TRP 31 3HZ TRP 31 -5.556 14.246 0.198 179 HH2 TRP 31 HH TRP 31 -6.448 14.341 -2.073 180 H PHE 32 H PHE 32 -3.108 5.460 1.117 181 HA PHE 32 HA PHE 32 -2.145 5.878 3.866 182 HB2 PHE 32 1HB PHE 32 -2.417 3.230 2.440 183 HB3 PHE 32 2HB PHE 32 -2.163 3.503 4.160 184 HD1 PHE 32 1HD PHE 32 -4.098 5.363 5.001 185 HD2 PHE 32 2HD PHE 32 -4.482 2.336 2.034 186 HE1 PHE 32 1HE PHE 32 -6.531 5.316 5.368 187 HE2 PHE 32 2HE PHE 32 -6.915 2.285 2.395 188 HZ PHE 32 HZ PHE 32 -7.943 3.777 4.064 189 H HIS 33 H HIS 33 -0.117 4.400 4.279 190 HA HIS 33 HA HIS 33 1.827 5.060 2.171 191 HB2 HIS 33 1HB HIS 33 2.245 4.676 5.142 192 HB3 HIS 33 2HB HIS 33 3.526 5.005 3.980 193 HD2 HIS 33 2HD HIS 33 2.362 7.536 2.401 194 HE1 HIS 33 1HE HIS 33 1.687 9.236 6.229 195 HE2 HIS 33 2HE HIS 33 1.824 9.675 3.753 196 H GLY 34 H GLY 34 3.128 3.511 1.321 197 HA2 GLY 34 1HA GLY 34 2.398 0.882 1.200 198 HA3 GLY 34 2HA GLY 34 4.046 1.433 0.936 199 H LYS 35 H LYS 35 4.953 2.169 3.328 200 HA LYS 35 HA LYS 35 5.538 -0.249 4.611 201 HB2 LYS 35 1HB LYS 35 6.650 1.085 6.295 202 HB3 LYS 35 2HB LYS 35 6.962 1.777 4.708 203 HG2 LYS 35 1HG LYS 35 6.479 3.679 5.839 204 HG3 LYS 35 2HG LYS 35 4.844 3.238 5.340 205 HD2 LYS 35 1HD LYS 35 4.220 2.623 7.450 206 HD3 LYS 35 2HD LYS 35 5.853 2.137 7.909 207 HE2 LYS 35 1HE LYS 35 5.099 4.151 9.106 208 HE3 LYS 35 2HE LYS 35 6.521 4.454 8.110 209 HZ1 LYS 35 1HZ LYS 35 5.034 5.368 6.399 210 HZ2 LYS 35 2HZ LYS 35 4.961 6.238 7.847 211 HZ3 LYS 35 3HZ LYS 35 3.717 5.165 7.442 212 H CYS 36 H CYS 36 3.121 2.215 5.293 213 HA CYS 36 HA CYS 36 2.322 1.288 7.826 214 HB2 CYS 36 1HB CYS 36 1.150 3.044 5.731 215 HB3 CYS 36 2HB CYS 36 0.049 2.398 6.945 216 H VAL 37 H VAL 37 1.266 0.446 4.563 217 HA VAL 37 HA VAL 37 -0.716 -1.421 5.569 218 HB VAL 37 HB VAL 37 -1.226 -1.873 3.225 219 HG11 VAL 37 1HG1 VAL 37 -1.753 0.420 4.576 220 HG12 VAL 37 2HG1 VAL 37 -1.022 1.053 3.100 221 HG13 VAL 37 3HG1 VAL 37 -2.438 0.006 3.005 222 HG21 VAL 37 1HG2 VAL 37 1.052 -1.728 2.340 223 HG22 VAL 37 2HG2 VAL 37 -0.061 -0.711 1.426 224 HG23 VAL 37 3HG2 VAL 37 1.040 0.017 2.595 225 H LYS 38 H LYS 38 2.485 -1.566 5.485 226 HA LYS 38 HA LYS 38 4.023 -3.241 5.523 227 HB2 LYS 38 1HB LYS 38 1.547 -4.972 5.602 228 HB3 LYS 38 2HB LYS 38 3.183 -5.568 5.849 229 HG2 LYS 38 1HG LYS 38 3.410 -4.118 7.809 230 HG3 LYS 38 2HG LYS 38 1.759 -3.544 7.566 231 HD2 LYS 38 1HD LYS 38 0.866 -5.722 7.988 232 HD3 LYS 38 2HD LYS 38 2.478 -6.441 7.987 233 HE2 LYS 38 1HE LYS 38 1.788 -6.229 10.258 234 HE3 LYS 38 2HE LYS 38 3.024 -5.007 9.965 235 HZ1 LYS 38 1HZ LYS 38 1.154 -4.120 11.221 236 HZ2 LYS 38 2HZ LYS 38 0.094 -4.520 9.966 237 HZ3 LYS 38 3HZ LYS 38 1.292 -3.351 9.720 238 H ILE 39 H ILE 39 3.095 -2.170 2.996 239 HA ILE 39 HA ILE 39 3.604 -4.491 1.250 240 HB ILE 39 HB ILE 39 2.051 -1.977 0.626 241 HG12 ILE 39 1HG1 ILE 39 1.166 -4.869 0.720 242 HG13 ILE 39 2HG1 ILE 39 0.868 -3.688 1.991 243 HG21 ILE 39 1HG2 ILE 39 2.767 -2.325 -1.466 244 HG22 ILE 39 2HG2 ILE 39 3.349 -3.948 -1.098 245 HG23 ILE 39 3HG2 ILE 39 1.644 -3.685 -1.465 246 HD11 ILE 39 1HD1 ILE 39 -1.112 -3.878 0.707 247 HD12 ILE 39 2HD1 ILE 39 -0.376 -2.327 0.303 248 HD13 ILE 39 3HD1 ILE 39 -0.225 -3.690 -0.806 249 H THR 40 H THR 40 5.196 -4.352 -0.263 250 HA THR 40 HA THR 40 7.067 -2.143 0.031 251 HB THR 40 HB THR 40 8.533 -3.541 -1.463 252 HG1 THR 40 1HG THR 40 7.681 -5.237 -2.386 253 HG21 THR 40 1HG2 THR 40 9.325 -4.744 0.311 254 HG22 THR 40 2HG2 THR 40 7.722 -5.306 0.785 255 HG23 THR 40 3HG2 THR 40 8.232 -3.664 1.176 256 HA PRO 41 HA PRO 41 6.033 -0.050 -3.689 257 HB2 PRO 41 1HB PRO 41 8.465 0.887 -4.449 258 HB3 PRO 41 2HB PRO 41 7.569 1.544 -3.074 259 HG2 PRO 41 1HG PRO 41 9.821 -0.428 -3.098 260 HG3 PRO 41 2HG PRO 41 9.554 0.953 -2.018 261 HD2 PRO 41 1HD PRO 41 8.981 -1.593 -1.297 262 HD3 PRO 41 2HD PRO 41 8.049 -0.202 -0.709 263 H ALA 42 H ALA 42 8.009 -2.800 -3.675 264 HA ALA 42 HA ALA 42 8.344 -2.846 -6.577 265 HB1 ALA 42 1HB ALA 42 9.931 -3.748 -4.511 266 HB2 ALA 42 2HB ALA 42 9.213 -5.226 -5.154 267 HB3 ALA 42 3HB ALA 42 10.117 -4.149 -6.218 268 H ARG 43 H ARG 43 6.661 -4.558 -3.992 269 HA ARG 43 HA ARG 43 5.533 -6.529 -5.748 270 HB2 ARG 43 1HB ARG 43 5.847 -7.196 -3.489 271 HB3 ARG 43 2HB ARG 43 5.016 -5.772 -2.878 272 HG2 ARG 43 1HG ARG 43 2.964 -6.725 -4.127 273 HG3 ARG 43 2HG ARG 43 3.873 -8.238 -4.116 274 HD2 ARG 43 1HD ARG 43 4.163 -7.628 -1.561 275 HD3 ARG 43 2HD ARG 43 2.688 -6.708 -1.856 276 HE ARG 43 HE ARG 43 2.088 -9.125 -2.880 277 HH11 ARG 43 2HH1 ARG 43 3.412 -8.121 0.179 278 HH12 ARG 43 1HH1 ARG 43 2.723 -9.445 1.060 279 HH21 ARG 43 2HH2 ARG 43 1.176 -10.872 -1.732 280 HH22 ARG 43 1HH2 ARG 43 1.452 -11.009 -0.029 281 H ALA 44 H ALA 44 4.426 -3.530 -4.247 282 HA ALA 44 HA ALA 44 1.760 -3.506 -4.688 283 HB1 ALA 44 1HB ALA 44 3.819 -1.497 -4.497 284 HB2 ALA 44 2HB ALA 44 2.539 -0.991 -5.600 285 HB3 ALA 44 3HB ALA 44 2.146 -1.449 -3.942 286 H GLU 45 H GLU 45 4.261 -3.092 -7.142 287 HA GLU 45 HA GLU 45 2.807 -2.251 -9.307 288 HB2 GLU 45 1HB GLU 45 5.020 -4.309 -9.255 289 HB3 GLU 45 2HB GLU 45 4.430 -3.518 -10.710 290 HG2 GLU 45 1HG GLU 45 5.353 -1.826 -8.449 291 HG3 GLU 45 2HG GLU 45 6.556 -2.648 -9.441 292 H HIS 46 H HIS 46 3.084 -5.547 -8.050 293 HA HIS 46 HA HIS 46 1.400 -6.652 -10.107 294 HB2 HIS 46 1HB HIS 46 2.299 -7.901 -7.503 295 HB3 HIS 46 2HB HIS 46 1.614 -8.748 -8.887 296 HD1 HIS 46 1HD HIS 46 3.273 -9.732 -10.432 297 HD2 HIS 46 2HD HIS 46 4.877 -6.587 -8.242 298 HE1 HIS 46 1HE HIS 46 5.705 -9.642 -11.067 299 HE2 HIS 46 2HE HIS 46 6.673 -7.787 -9.665 300 H ILE 47 H ILE 47 1.015 -5.501 -6.825 301 HA ILE 47 HA ILE 47 -1.581 -6.581 -6.398 302 HB ILE 47 HB ILE 47 -0.241 -4.224 -5.066 303 HG12 ILE 47 1HG1 ILE 47 -0.478 -7.112 -4.193 304 HG13 ILE 47 2HG1 ILE 47 0.982 -6.356 -4.821 305 HG21 ILE 47 1HG2 ILE 47 -2.394 -5.810 -3.768 306 HG22 ILE 47 2HG2 ILE 47 -1.943 -4.120 -3.545 307 HG23 ILE 47 3HG2 ILE 47 -2.850 -4.609 -4.976 308 HD11 ILE 47 1HD1 ILE 47 -0.369 -5.208 -2.424 309 HD12 ILE 47 2HD1 ILE 47 0.664 -6.630 -2.268 310 HD13 ILE 47 3HD1 ILE 47 1.324 -5.125 -2.909 311 H LYS 48 H LYS 48 -3.572 -5.742 -6.769 312 HA LYS 48 HA LYS 48 -3.755 -3.057 -7.944 313 HB2 LYS 48 1HB LYS 48 -4.592 -5.646 -9.148 314 HB3 LYS 48 2HB LYS 48 -5.655 -4.265 -9.382 315 HG2 LYS 48 1HG LYS 48 -4.294 -4.197 -11.247 316 HG3 LYS 48 2HG LYS 48 -3.523 -3.040 -10.160 317 HD2 LYS 48 1HD LYS 48 -1.761 -4.471 -9.682 318 HD3 LYS 48 2HD LYS 48 -2.668 -5.908 -10.158 319 HE2 LYS 48 1HE LYS 48 -2.002 -3.805 -12.179 320 HE3 LYS 48 2HE LYS 48 -0.789 -4.995 -11.707 321 HZ1 LYS 48 1HZ LYS 48 -3.217 -5.341 -13.267 322 HZ2 LYS 48 2HZ LYS 48 -2.857 -6.585 -12.179 323 HZ3 LYS 48 3HZ LYS 48 -1.737 -6.153 -13.372 324 H GLN 49 H GLN 49 -4.799 -2.063 -6.304 325 HA GLN 49 HA GLN 49 -6.552 -1.410 -5.004 326 HB2 GLN 49 1HB GLN 49 -8.132 -3.609 -6.342 327 HB3 GLN 49 2HB GLN 49 -8.776 -2.215 -5.484 328 HG2 GLN 49 1HG GLN 49 -8.011 -0.726 -7.183 329 HG3 GLN 49 2HG GLN 49 -7.120 -2.017 -7.986 330 HE21 GLN 49 1HE2 GLN 49 -10.057 -0.365 -7.746 331 HE22 GLN 49 2HE2 GLN 49 -10.988 -1.362 -8.807 332 H TYR 50 H TYR 50 -4.784 -2.811 -3.683 333 HA TYR 50 HA TYR 50 -5.671 -5.235 -2.524 334 HB2 TYR 50 1HB TYR 50 -3.396 -4.961 -2.271 335 HB3 TYR 50 2HB TYR 50 -3.533 -3.243 -1.915 336 HD1 TYR 50 1HD TYR 50 -4.419 -6.559 -0.439 337 HD2 TYR 50 2HD TYR 50 -3.225 -2.536 0.266 338 HE1 TYR 50 1HE TYR 50 -4.214 -7.047 1.962 339 HE2 TYR 50 2HE TYR 50 -3.016 -3.013 2.669 340 HH TYR 50 HH TYR 50 -4.031 -4.714 4.303 341 H LYS 51 H LYS 51 -6.470 -5.633 -0.422 342 HA LYS 51 HA LYS 51 -8.295 -3.573 0.513 343 HB2 LYS 51 1HB LYS 51 -9.188 -5.807 0.258 344 HB3 LYS 51 2HB LYS 51 -7.937 -6.468 1.302 345 HG2 LYS 51 1HG LYS 51 -8.855 -5.357 3.213 346 HG3 LYS 51 2HG LYS 51 -10.011 -4.483 2.205 347 HD2 LYS 51 1HD LYS 51 -10.035 -7.443 2.040 348 HD3 LYS 51 2HD LYS 51 -10.647 -6.713 3.527 349 HE2 LYS 51 1HE LYS 51 -12.555 -6.827 2.236 350 HE3 LYS 51 2HE LYS 51 -11.993 -5.189 1.902 351 HZ1 LYS 51 1HZ LYS 51 -12.681 -6.610 -0.066 352 HZ2 LYS 51 2HZ LYS 51 -11.244 -7.468 0.174 353 HZ3 LYS 51 3HZ LYS 51 -11.193 -5.815 -0.183 354 H CYS 52 H CYS 52 -7.041 -2.073 1.577 355 HA CYS 52 HA CYS 52 -4.902 -2.343 3.205 356 HB2 CYS 52 1HB CYS 52 -5.382 -0.250 4.075 357 HB3 CYS 52 2HB CYS 52 -6.346 -0.245 2.601 358 HA PRO 53 HA PRO 53 -5.941 -4.695 6.763 359 HB2 PRO 53 1HB PRO 53 -4.385 -3.512 8.647 360 HB3 PRO 53 2HB PRO 53 -3.729 -4.537 7.365 361 HG2 PRO 53 1HG PRO 53 -3.851 -1.550 7.526 362 HG3 PRO 53 2HG PRO 53 -2.519 -2.588 6.985 363 HD2 PRO 53 1HD PRO 53 -4.172 -1.319 5.256 364 HD3 PRO 53 2HD PRO 53 -3.442 -2.896 4.895 365 H SER 54 H SER 54 -6.641 -1.365 6.568 366 HA SER 54 HA SER 54 -7.754 -0.997 9.166 367 HB2 SER 54 1HB SER 54 -6.990 0.769 7.377 368 HB3 SER 54 2HB SER 54 -8.649 0.612 6.801 369 HG SER 54 HG SER 54 -7.812 1.346 9.412 370 H CYS 55 H CYS 55 -9.053 -1.936 6.026 371 HA CYS 55 HA CYS 55 -11.749 -2.130 7.117 372 HB2 CYS 55 1HB CYS 55 -12.216 -2.923 4.692 373 HB3 CYS 55 2HB CYS 55 -11.823 -1.229 4.966 374 H SER 56 H SER 56 -9.534 -4.274 5.318 375 HA SER 56 HA SER 56 -10.842 -6.644 5.489 376 HB2 SER 56 1HB SER 56 -8.883 -6.974 4.376 377 HB3 SER 56 2HB SER 56 -7.982 -5.880 5.426 378 HG SER 56 HG SER 56 -7.222 -7.697 6.186 379 H ASN 57 H ASN 57 -9.489 -4.855 8.104 380 HA ASN 57 HA ASN 57 -9.126 -6.895 9.995 381 HB2 ASN 57 1HB ASN 57 -8.199 -4.851 10.619 382 HB3 ASN 57 2HB ASN 57 -9.644 -3.947 10.178 383 HD21 ASN 57 1HD2 ASN 57 -7.861 -4.774 12.706 384 HD22 ASN 57 2HD2 ASN 57 -9.065 -4.862 13.942 385 H LYS 58 H LYS 58 -11.873 -4.629 9.739 386 HA LYS 58 HA LYS 58 -13.526 -5.935 11.571 387 HB2 LYS 58 1HB LYS 58 -15.280 -4.560 10.783 388 HB3 LYS 58 2HB LYS 58 -13.813 -3.612 10.576 389 HG2 LYS 58 1HG LYS 58 -13.773 -4.095 8.220 390 HG3 LYS 58 2HG LYS 58 -15.147 -5.191 8.386 391 HD2 LYS 58 1HD LYS 58 -15.483 -2.399 9.341 392 HD3 LYS 58 2HD LYS 58 -15.432 -2.668 7.597 393 HE2 LYS 58 1HE LYS 58 -17.349 -3.976 7.618 394 HE3 LYS 58 2HE LYS 58 -17.195 -4.350 9.334 395 HZ1 LYS 58 1HZ LYS 58 -18.808 -2.806 9.489 396 HZ2 LYS 58 2HZ LYS 58 -18.391 -2.038 8.040 397 HZ3 LYS 58 3HZ LYS 58 -17.510 -1.722 9.449 398 H SER 59 H SER 59 -13.038 -6.459 8.132 399 HA SER 59 HA SER 59 -15.165 -7.964 7.376 400 HB2 SER 59 1HB SER 59 -12.886 -7.408 6.163 401 HB3 SER 59 2HB SER 59 -12.454 -9.033 6.696 402 HG SER 59 HG SER 59 -14.874 -9.194 5.685 403 H GLY 60 H GLY 60 -12.248 -9.305 8.940 404 HA2 GLY 60 1HA GLY 60 -11.920 -11.353 9.958 405 HA3 GLY 60 2HA GLY 60 -13.383 -10.900 10.819 406 HA PRO 61 HA PRO 61 -14.396 -14.889 8.843 407 HB2 PRO 61 1HB PRO 61 -16.126 -15.649 10.792 408 HB3 PRO 61 2HB PRO 61 -14.378 -15.881 10.915 409 HG2 PRO 61 1HG PRO 61 -16.092 -13.733 12.104 410 HG3 PRO 61 2HG PRO 61 -14.759 -14.639 12.844 411 HD2 PRO 61 1HD PRO 61 -14.453 -12.129 11.873 412 HD3 PRO 61 2HD PRO 61 -13.147 -13.331 11.841 413 H SER 62 H SER 62 -16.739 -15.875 8.631 414 HA SER 62 HA SER 62 -18.268 -13.982 7.164 415 HB2 SER 62 1HB SER 62 -18.599 -16.869 7.892 416 HB3 SER 62 2HB SER 62 -19.972 -15.988 7.222 417 HG SER 62 HG SER 62 -18.067 -17.099 5.871 418 H SER 63 H SER 63 -18.946 -15.780 10.165 419 HA SER 63 HA SER 63 -21.106 -13.876 10.747 420 HB2 SER 63 1HB SER 63 -21.837 -15.565 12.432 421 HB3 SER 63 2HB SER 63 -21.820 -16.193 10.784 422 HG SER 63 HG SER 63 -20.833 -17.697 12.088 423 H GLY 64 H GLY 64 -18.520 -15.633 12.475 424 HA2 GLY 64 1HA GLY 64 -17.091 -14.929 14.135 425 HA3 GLY 64 2HA GLY 64 -17.556 -13.279 13.749 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -15.701 23.057 14.258 2 HA2 GLY 1 1HA GLY 1 -15.901 22.094 12.180 3 HA3 GLY 1 2HA GLY 1 -14.874 23.421 11.656 4 H SER 2 H SER 2 -12.459 23.019 12.337 5 HA SER 2 HA SER 2 -10.575 21.878 11.740 6 HB2 SER 2 1HB SER 2 -12.157 19.784 13.227 7 HB3 SER 2 2HB SER 2 -10.517 19.486 12.651 8 HG SER 2 HG SER 2 -11.129 21.750 14.220 9 H SER 3 H SER 3 -12.363 22.118 9.636 10 HA SER 3 HA SER 3 -11.965 19.565 8.219 11 HB2 SER 3 1HB SER 3 -14.017 19.885 7.022 12 HB3 SER 3 2HB SER 3 -14.378 20.108 8.734 13 HG SER 3 HG SER 3 -14.038 22.106 6.753 14 H GLY 4 H GLY 4 -10.707 19.685 6.479 15 HA2 GLY 4 1HA GLY 4 -10.764 21.647 4.511 16 HA3 GLY 4 2HA GLY 4 -9.525 22.129 5.661 17 H SER 5 H SER 5 -10.568 19.393 3.654 18 HA SER 5 HA SER 5 -9.400 17.784 2.548 19 HB2 SER 5 1HB SER 5 -7.536 20.125 2.503 20 HB3 SER 5 2HB SER 5 -6.962 18.565 1.913 21 HG SER 5 HG SER 5 -7.854 19.412 0.148 22 H SER 6 H SER 6 -9.499 17.451 5.287 23 HA SER 6 HA SER 6 -6.933 16.954 6.421 24 HB2 SER 6 1HB SER 6 -9.136 17.372 7.665 25 HB3 SER 6 2HB SER 6 -9.511 15.681 7.335 26 HG SER 6 HG SER 6 -7.567 16.787 9.010 27 H GLY 7 H GLY 7 -5.856 15.666 4.872 28 HA2 GLY 7 1HA GLY 7 -6.830 12.878 4.745 29 HA3 GLY 7 2HA GLY 7 -5.953 13.655 3.435 30 H GLN 8 H GLN 8 -5.718 11.919 6.381 31 HA GLN 8 HA GLN 8 -2.791 11.916 6.113 32 HB2 GLN 8 1HB GLN 8 -4.404 12.231 8.640 33 HB3 GLN 8 2HB GLN 8 -2.726 11.705 8.654 34 HG2 GLN 8 1HG GLN 8 -3.563 14.251 7.316 35 HG3 GLN 8 2HG GLN 8 -3.210 14.177 9.042 36 HE21 GLN 8 1HE2 GLN 8 -1.901 13.919 5.830 37 HE22 GLN 8 2HE2 GLN 8 -0.238 14.043 6.279 38 H CYS 9 H CYS 9 -1.786 9.968 6.429 39 HA CYS 9 HA CYS 9 -3.192 7.624 5.931 40 HB2 CYS 9 1HB CYS 9 -0.884 7.606 5.444 41 HB3 CYS 9 2HB CYS 9 -0.451 8.137 7.066 42 H GLY 10 H GLY 10 -4.347 6.272 7.150 43 HA2 GLY 10 1HA GLY 10 -4.998 6.872 9.826 44 HA3 GLY 10 2HA GLY 10 -5.394 5.379 8.987 45 H ALA 11 H ALA 11 -2.807 4.455 8.442 46 HA ALA 11 HA ALA 11 -2.192 3.023 10.727 47 HB1 ALA 11 1HB ALA 11 0.066 3.595 8.912 48 HB2 ALA 11 2HB ALA 11 -0.561 2.054 9.497 49 HB3 ALA 11 3HB ALA 11 -1.375 2.893 8.177 50 H CYS 12 H CYS 12 -0.519 5.903 9.458 51 HA CYS 12 HA CYS 12 0.413 6.455 12.192 52 HB2 CYS 12 1HB CYS 12 2.590 7.094 11.399 53 HB3 CYS 12 2HB CYS 12 2.245 5.479 10.789 54 H GLY 13 H GLY 13 -0.108 7.770 8.934 55 HA2 GLY 13 1HA GLY 13 -1.200 9.743 8.364 56 HA3 GLY 13 2HA GLY 13 -1.320 10.138 10.073 57 H GLU 14 H GLU 14 1.569 9.394 8.157 58 HA GLU 14 HA GLU 14 3.152 11.384 9.279 59 HB2 GLU 14 1HB GLU 14 3.304 9.827 6.723 60 HB3 GLU 14 2HB GLU 14 4.455 11.121 7.026 61 HG2 GLU 14 1HG GLU 14 4.041 9.042 9.114 62 HG3 GLU 14 2HG GLU 14 4.999 8.651 7.687 63 H SER 15 H SER 15 4.194 13.192 7.945 64 HA SER 15 HA SER 15 2.031 14.877 6.952 65 HB2 SER 15 1HB SER 15 3.570 15.764 8.681 66 HB3 SER 15 2HB SER 15 4.912 15.591 7.551 67 HG SER 15 HG SER 15 3.924 17.108 6.210 68 H TYR 16 H TYR 16 2.466 16.287 5.060 69 HA TYR 16 HA TYR 16 2.719 15.011 2.718 70 HB2 TYR 16 1HB TYR 16 2.141 17.400 2.927 71 HB3 TYR 16 2HB TYR 16 3.831 17.775 3.248 72 HD1 TYR 16 1HD TYR 16 1.413 16.742 0.685 73 HD2 TYR 16 2HD TYR 16 5.461 17.795 1.466 74 HE1 TYR 16 1HE TYR 16 1.810 16.981 -1.730 75 HE2 TYR 16 2HE TYR 16 5.869 18.038 -0.947 76 HH TYR 16 HH TYR 16 3.653 16.944 -3.305 77 H ALA 17 H ALA 17 4.199 13.586 2.091 78 HA ALA 17 HA ALA 17 7.017 14.036 2.746 79 HB1 ALA 17 1HB ALA 17 5.440 11.630 1.919 80 HB2 ALA 17 2HB ALA 17 7.197 11.651 1.762 81 HB3 ALA 17 3HB ALA 17 6.451 11.869 3.345 82 H ALA 18 H ALA 18 8.596 13.310 0.997 83 HA ALA 18 HA ALA 18 7.974 14.801 -1.415 84 HB1 ALA 18 1HB ALA 18 10.313 14.294 0.082 85 HB2 ALA 18 2HB ALA 18 10.560 13.606 -1.523 86 HB3 ALA 18 3HB ALA 18 10.131 15.308 -1.349 87 H ASP 19 H ASP 19 9.529 11.641 -0.829 88 HA ASP 19 HA ASP 19 8.205 10.656 -3.271 89 HB2 ASP 19 1HB ASP 19 10.688 10.849 -3.434 90 HB3 ASP 19 2HB ASP 19 10.827 9.696 -2.109 91 H GLU 20 H GLU 20 6.436 10.217 -1.666 92 HA GLU 20 HA GLU 20 6.934 7.770 -0.117 93 HB2 GLU 20 1HB GLU 20 5.955 9.151 1.414 94 HB3 GLU 20 2HB GLU 20 5.086 10.068 0.192 95 HG2 GLU 20 1HG GLU 20 3.461 8.937 1.466 96 HG3 GLU 20 2HG GLU 20 3.571 8.085 -0.074 97 H PHE 21 H PHE 21 5.851 5.909 -0.527 98 HA PHE 21 HA PHE 21 4.256 5.848 -2.982 99 HB2 PHE 21 1HB PHE 21 5.844 4.210 -3.251 100 HB3 PHE 21 2HB PHE 21 5.942 3.872 -1.526 101 HD1 PHE 21 1HD PHE 21 3.162 3.788 -4.016 102 HD2 PHE 21 2HD PHE 21 5.432 1.681 -1.096 103 HE1 PHE 21 1HE PHE 21 1.724 1.816 -4.327 104 HE2 PHE 21 2HE PHE 21 3.999 -0.295 -1.403 105 HZ PHE 21 HZ PHE 21 2.142 -0.230 -3.020 106 H TRP 22 H TRP 22 2.152 6.146 -2.618 107 HA TRP 22 HA TRP 22 0.920 5.113 -0.189 108 HB2 TRP 22 1HB TRP 22 -0.400 6.671 -2.416 109 HB3 TRP 22 2HB TRP 22 -0.998 6.431 -0.777 110 HD1 TRP 22 HD TRP 22 1.882 8.248 -2.616 111 HE1 TRP 22 1HE TRP 22 2.553 10.299 -1.214 112 HE3 TRP 22 3HE TRP 22 -1.133 7.479 1.441 113 HZ2 TRP 22 2HZ TRP 22 1.892 11.440 1.282 114 HZ3 TRP 22 3HZ TRP 22 -1.053 9.096 3.293 115 HH2 TRP 22 HH TRP 22 0.430 11.035 3.214 116 H ILE 23 H ILE 23 -0.940 3.760 -0.217 117 HA ILE 23 HA ILE 23 -0.988 1.955 -2.534 118 HB ILE 23 HB ILE 23 -1.690 0.219 -1.141 119 HG12 ILE 23 1HG1 ILE 23 -2.327 0.760 1.314 120 HG13 ILE 23 2HG1 ILE 23 -2.554 2.406 0.735 121 HG21 ILE 23 1HG2 ILE 23 0.527 1.818 -0.317 122 HG22 ILE 23 2HG2 ILE 23 -0.205 1.067 1.100 123 HG23 ILE 23 3HG2 ILE 23 0.335 0.066 -0.247 124 HD11 ILE 23 1HD1 ILE 23 -3.893 0.498 -0.964 125 HD12 ILE 23 2HD1 ILE 23 -4.416 0.362 0.715 126 HD13 ILE 23 3HD1 ILE 23 -4.533 1.909 -0.123 127 H CYS 24 H CYS 24 -3.011 1.139 -3.302 128 HA CYS 24 HA CYS 24 -5.179 3.093 -3.001 129 HB2 CYS 24 1HB CYS 24 -4.441 2.801 -5.284 130 HB3 CYS 24 2HB CYS 24 -4.614 1.054 -5.161 131 HG CYS 24 HG CYS 24 -7.194 0.903 -5.569 132 H CYS 25 H CYS 25 -7.239 2.501 -2.436 133 HA CYS 25 HA CYS 25 -7.680 -0.322 -1.737 134 HB2 CYS 25 1HB CYS 25 -7.134 1.053 0.286 135 HB3 CYS 25 2HB CYS 25 -8.568 2.020 -0.044 136 H ASP 26 H ASP 26 -9.355 -1.086 -2.826 137 HA ASP 26 HA ASP 26 -11.273 0.696 -4.046 138 HB2 ASP 26 1HB ASP 26 -10.672 -2.226 -4.201 139 HB3 ASP 26 2HB ASP 26 -12.263 -1.667 -4.710 140 H LEU 27 H LEU 27 -11.311 0.724 -1.204 141 HA LEU 27 HA LEU 27 -14.064 -0.194 -0.760 142 HB2 LEU 27 1HB LEU 27 -11.675 -0.652 0.995 143 HB3 LEU 27 2HB LEU 27 -13.309 -0.631 1.655 144 HG LEU 27 HG LEU 27 -12.741 -2.451 -0.630 145 HD11 LEU 27 1HD1 LEU 27 -10.833 -2.710 0.953 146 HD12 LEU 27 2HD1 LEU 27 -11.828 -4.154 0.772 147 HD13 LEU 27 3HD1 LEU 27 -11.997 -3.141 2.206 148 HD21 LEU 27 1HD2 LEU 27 -14.210 -3.364 1.732 149 HD22 LEU 27 2HD2 LEU 27 -14.639 -3.447 0.024 150 HD23 LEU 27 3HD2 LEU 27 -14.920 -1.961 0.933 151 H CYS 28 H CYS 28 -11.552 1.520 1.105 152 HA CYS 28 HA CYS 28 -13.524 3.588 1.743 153 HB2 CYS 28 1HB CYS 28 -12.043 4.244 3.536 154 HB3 CYS 28 2HB CYS 28 -12.264 2.498 3.595 155 H GLU 29 H GLU 29 -10.478 3.087 0.107 156 HA GLU 29 HA GLU 29 -9.316 4.380 -1.364 157 HB2 GLU 29 1HB GLU 29 -11.836 4.989 -1.952 158 HB3 GLU 29 2HB GLU 29 -11.355 6.553 -1.310 159 HG2 GLU 29 1HG GLU 29 -9.594 5.272 -3.324 160 HG3 GLU 29 2HG GLU 29 -11.123 5.959 -3.868 161 H MET 30 H MET 30 -8.602 4.570 1.256 162 HA MET 30 HA MET 30 -8.364 7.376 1.968 163 HB2 MET 30 1HB MET 30 -7.816 4.779 3.309 164 HB3 MET 30 2HB MET 30 -6.872 6.169 3.828 165 HG2 MET 30 1HG MET 30 -8.989 7.390 4.236 166 HG3 MET 30 2HG MET 30 -9.868 5.914 3.846 167 HE1 MET 30 1HE MET 30 -7.724 7.597 7.042 168 HE2 MET 30 2HE MET 30 -9.190 8.089 6.193 169 HE3 MET 30 3HE MET 30 -9.306 7.243 7.737 170 H TRP 31 H TRP 31 -5.961 7.713 3.032 171 HA TRP 31 HA TRP 31 -4.103 7.234 0.795 172 HB2 TRP 31 1HB TRP 31 -4.519 9.608 2.579 173 HB3 TRP 31 2HB TRP 31 -2.942 9.331 1.845 174 HD1 TRP 31 HD TRP 31 -6.559 9.210 0.408 175 HE1 TRP 31 1HE TRP 31 -6.580 10.576 -1.773 176 HE3 TRP 31 3HE TRP 31 -1.679 10.732 0.358 177 HZ2 TRP 31 2HZ TRP 31 -4.767 12.098 -3.311 178 HZ3 TRP 31 3HZ TRP 31 -0.902 12.140 -1.504 179 HH2 TRP 31 HH TRP 31 -2.415 12.807 -3.300 180 H PHE 32 H PHE 32 -3.310 5.288 1.657 181 HA PHE 32 HA PHE 32 -1.889 5.492 4.220 182 HB2 PHE 32 1HB PHE 32 -2.554 3.006 2.631 183 HB3 PHE 32 2HB PHE 32 -1.884 3.064 4.258 184 HD1 PHE 32 1HD PHE 32 -3.333 4.367 6.010 185 HD2 PHE 32 2HD PHE 32 -4.822 2.745 2.367 186 HE1 PHE 32 1HE PHE 32 -5.608 4.359 6.948 187 HE2 PHE 32 2HE PHE 32 -7.099 2.735 3.299 188 HZ PHE 32 HZ PHE 32 -7.495 3.543 5.591 189 H HIS 33 H HIS 33 0.077 3.786 4.142 190 HA HIS 33 HA HIS 33 1.699 4.515 1.792 191 HB2 HIS 33 1HB HIS 33 2.826 4.048 4.548 192 HB3 HIS 33 2HB HIS 33 3.611 4.803 3.164 193 HD2 HIS 33 2HD HIS 33 1.242 7.040 2.538 194 HE1 HIS 33 1HE HIS 33 2.050 8.289 6.511 195 HE2 HIS 33 2HE HIS 33 0.943 8.883 4.328 196 H GLY 34 H GLY 34 2.814 2.924 0.784 197 HA2 GLY 34 1HA GLY 34 2.110 0.327 0.778 198 HA3 GLY 34 2HA GLY 34 3.752 0.837 0.415 199 H LYS 35 H LYS 35 5.011 1.389 2.562 200 HA LYS 35 HA LYS 35 5.498 -0.994 3.885 201 HB2 LYS 35 1HB LYS 35 6.007 1.800 4.924 202 HB3 LYS 35 2HB LYS 35 6.785 0.330 5.497 203 HG2 LYS 35 1HG LYS 35 7.819 0.012 3.315 204 HG3 LYS 35 2HG LYS 35 7.022 1.470 2.719 205 HD2 LYS 35 1HD LYS 35 8.264 2.850 4.217 206 HD3 LYS 35 2HD LYS 35 8.899 1.446 5.077 207 HE2 LYS 35 1HE LYS 35 10.038 0.761 2.966 208 HE3 LYS 35 2HE LYS 35 9.512 2.281 2.245 209 HZ1 LYS 35 1HZ LYS 35 11.585 2.837 2.985 210 HZ2 LYS 35 2HZ LYS 35 11.522 1.813 4.329 211 HZ3 LYS 35 3HZ LYS 35 10.672 3.275 4.341 212 H CYS 36 H CYS 36 3.500 1.749 4.920 213 HA CYS 36 HA CYS 36 2.821 0.827 7.460 214 HB2 CYS 36 1HB CYS 36 1.611 2.720 5.509 215 HB3 CYS 36 2HB CYS 36 0.593 2.170 6.836 216 H VAL 37 H VAL 37 1.247 0.246 4.337 217 HA VAL 37 HA VAL 37 -0.779 -1.440 5.506 218 HB VAL 37 HB VAL 37 -1.529 -1.833 3.222 219 HG11 VAL 37 1HG1 VAL 37 -1.521 0.596 4.551 220 HG12 VAL 37 2HG1 VAL 37 -1.053 1.009 2.900 221 HG13 VAL 37 3HG1 VAL 37 -2.560 0.142 3.200 222 HG21 VAL 37 1HG2 VAL 37 0.808 -0.166 2.307 223 HG22 VAL 37 2HG2 VAL 37 0.772 -1.928 2.239 224 HG23 VAL 37 3HG2 VAL 37 -0.387 -0.985 1.302 225 H LYS 38 H LYS 38 2.276 -2.027 5.458 226 HA LYS 38 HA LYS 38 3.599 -3.877 5.431 227 HB2 LYS 38 1HB LYS 38 0.863 -5.113 5.522 228 HB3 LYS 38 2HB LYS 38 2.296 -6.124 5.392 229 HG2 LYS 38 1HG LYS 38 3.160 -4.973 7.456 230 HG3 LYS 38 2HG LYS 38 1.559 -4.249 7.622 231 HD2 LYS 38 1HD LYS 38 1.270 -6.106 8.920 232 HD3 LYS 38 2HD LYS 38 0.792 -6.769 7.355 233 HE2 LYS 38 1HE LYS 38 3.662 -6.900 8.118 234 HE3 LYS 38 2HE LYS 38 2.540 -7.995 8.924 235 HZ1 LYS 38 1HZ LYS 38 1.934 -8.099 6.227 236 HZ2 LYS 38 2HZ LYS 38 2.684 -9.297 7.155 237 HZ3 LYS 38 3HZ LYS 38 3.622 -8.165 6.318 238 H ILE 39 H ILE 39 3.357 -2.606 3.022 239 HA ILE 39 HA ILE 39 3.703 -4.843 1.170 240 HB ILE 39 HB ILE 39 1.925 -2.464 0.643 241 HG12 ILE 39 1HG1 ILE 39 1.375 -5.428 0.396 242 HG13 ILE 39 2HG1 ILE 39 0.956 -4.464 1.808 243 HG21 ILE 39 1HG2 ILE 39 2.953 -4.519 -1.310 244 HG22 ILE 39 2HG2 ILE 39 1.715 -3.311 -1.652 245 HG23 ILE 39 3HG2 ILE 39 3.363 -2.804 -1.283 246 HD11 ILE 39 1HD1 ILE 39 -0.559 -3.131 0.499 247 HD12 ILE 39 2HD1 ILE 39 -0.071 -3.968 -0.975 248 HD13 ILE 39 3HD1 ILE 39 -0.939 -4.840 0.288 249 H THR 40 H THR 40 5.334 -4.569 -0.266 250 HA THR 40 HA THR 40 7.060 -2.277 0.122 251 HB THR 40 HB THR 40 8.583 -3.481 -1.467 252 HG1 THR 40 1HG THR 40 6.499 -4.725 -2.227 253 HG21 THR 40 1HG2 THR 40 8.502 -3.795 1.076 254 HG22 THR 40 2HG2 THR 40 9.328 -5.034 0.130 255 HG23 THR 40 3HG2 THR 40 7.698 -5.326 0.734 256 HA PRO 41 HA PRO 41 5.891 0.045 -3.418 257 HB2 PRO 41 1HB PRO 41 8.270 1.145 -4.125 258 HB3 PRO 41 2HB PRO 41 7.362 1.655 -2.696 259 HG2 PRO 41 1HG PRO 41 9.699 -0.207 -2.892 260 HG3 PRO 41 2HG PRO 41 9.385 1.074 -1.706 261 HD2 PRO 41 1HD PRO 41 8.933 -1.543 -1.178 262 HD3 PRO 41 2HD PRO 41 7.948 -0.243 -0.476 263 H ALA 42 H ALA 42 7.918 -2.639 -3.632 264 HA ALA 42 HA ALA 42 8.254 -2.436 -6.530 265 HB1 ALA 42 1HB ALA 42 10.173 -3.134 -5.134 266 HB2 ALA 42 2HB ALA 42 9.267 -4.570 -4.657 267 HB3 ALA 42 3HB ALA 42 9.724 -4.336 -6.344 268 H ARG 43 H ARG 43 6.811 -4.582 -4.096 269 HA ARG 43 HA ARG 43 5.704 -6.403 -5.968 270 HB2 ARG 43 1HB ARG 43 6.025 -7.151 -3.724 271 HB3 ARG 43 2HB ARG 43 5.076 -5.820 -3.076 272 HG2 ARG 43 1HG ARG 43 3.104 -6.807 -4.328 273 HG3 ARG 43 2HG ARG 43 4.111 -8.235 -4.571 274 HD2 ARG 43 1HD ARG 43 4.459 -8.017 -1.970 275 HD3 ARG 43 2HD ARG 43 2.934 -7.137 -2.065 276 HE ARG 43 HE ARG 43 2.308 -9.341 -3.397 277 HH11 ARG 43 2HH1 ARG 43 4.049 -8.948 -0.408 278 HH12 ARG 43 1HH1 ARG 43 3.536 -10.469 0.243 279 HH21 ARG 43 2HH2 ARG 43 1.625 -11.347 -2.551 280 HH22 ARG 43 1HH2 ARG 43 2.158 -11.834 -0.977 281 H ALA 44 H ALA 44 4.494 -3.492 -4.396 282 HA ALA 44 HA ALA 44 1.829 -3.530 -4.818 283 HB1 ALA 44 1HB ALA 44 1.841 -1.173 -4.899 284 HB2 ALA 44 2HB ALA 44 3.239 -1.626 -3.923 285 HB3 ALA 44 3HB ALA 44 3.459 -1.128 -5.600 286 H GLU 45 H GLU 45 4.289 -2.974 -7.296 287 HA GLU 45 HA GLU 45 2.796 -2.177 -9.437 288 HB2 GLU 45 1HB GLU 45 5.130 -4.077 -9.306 289 HB3 GLU 45 2HB GLU 45 4.428 -3.567 -10.835 290 HG2 GLU 45 1HG GLU 45 5.815 -1.883 -8.777 291 HG3 GLU 45 2HG GLU 45 6.279 -2.167 -10.453 292 H HIS 46 H HIS 46 3.181 -5.485 -8.234 293 HA HIS 46 HA HIS 46 1.551 -6.644 -10.282 294 HB2 HIS 46 1HB HIS 46 2.484 -7.748 -7.625 295 HB3 HIS 46 2HB HIS 46 1.665 -8.689 -8.868 296 HD1 HIS 46 1HD HIS 46 3.032 -9.371 -10.933 297 HD2 HIS 46 2HD HIS 46 5.166 -7.107 -8.179 298 HE1 HIS 46 1HE HIS 46 5.441 -9.558 -11.631 299 HE2 HIS 46 2HE HIS 46 6.722 -8.250 -9.901 300 H ILE 47 H ILE 47 1.041 -5.608 -6.948 301 HA ILE 47 HA ILE 47 -1.593 -6.626 -6.701 302 HB ILE 47 HB ILE 47 -0.293 -4.339 -5.217 303 HG12 ILE 47 1HG1 ILE 47 -0.631 -7.211 -4.343 304 HG13 ILE 47 2HG1 ILE 47 0.841 -6.593 -5.084 305 HG21 ILE 47 1HG2 ILE 47 -2.054 -4.304 -3.754 306 HG22 ILE 47 2HG2 ILE 47 -2.897 -4.695 -5.252 307 HG23 ILE 47 3HG2 ILE 47 -2.515 -5.972 -4.097 308 HD11 ILE 47 1HD1 ILE 47 1.031 -4.965 -3.235 309 HD12 ILE 47 2HD1 ILE 47 -0.372 -5.718 -2.476 310 HD13 ILE 47 3HD1 ILE 47 1.109 -6.645 -2.707 311 H LYS 48 H LYS 48 -3.539 -5.769 -7.191 312 HA LYS 48 HA LYS 48 -3.542 -3.164 -8.568 313 HB2 LYS 48 1HB LYS 48 -4.129 -5.209 -9.927 314 HB3 LYS 48 2HB LYS 48 -5.554 -5.390 -8.912 315 HG2 LYS 48 1HG LYS 48 -5.095 -2.776 -10.251 316 HG3 LYS 48 2HG LYS 48 -5.660 -4.139 -11.220 317 HD2 LYS 48 1HD LYS 48 -7.542 -4.440 -9.664 318 HD3 LYS 48 2HD LYS 48 -6.984 -3.046 -8.736 319 HE2 LYS 48 1HE LYS 48 -8.764 -2.352 -10.197 320 HE3 LYS 48 2HE LYS 48 -7.251 -1.650 -10.766 321 HZ1 LYS 48 1HZ LYS 48 -7.165 -3.674 -12.297 322 HZ2 LYS 48 2HZ LYS 48 -8.262 -2.445 -12.681 323 HZ3 LYS 48 3HZ LYS 48 -8.808 -3.865 -11.941 324 H GLN 49 H GLN 49 -5.858 -5.274 -6.854 325 HA GLN 49 HA GLN 49 -6.887 -2.866 -5.504 326 HB2 GLN 49 1HB GLN 49 -9.047 -4.218 -5.321 327 HB3 GLN 49 2HB GLN 49 -8.631 -3.585 -6.908 328 HG2 GLN 49 1HG GLN 49 -8.096 -5.667 -7.747 329 HG3 GLN 49 2HG GLN 49 -7.815 -6.353 -6.148 330 HE21 GLN 49 1HE2 GLN 49 -9.665 -6.762 -4.804 331 HE22 GLN 49 2HE2 GLN 49 -11.193 -7.115 -5.528 332 H TYR 50 H TYR 50 -5.283 -3.268 -3.847 333 HA TYR 50 HA TYR 50 -5.534 -5.681 -2.267 334 HB2 TYR 50 1HB TYR 50 -3.316 -4.951 -2.383 335 HB3 TYR 50 2HB TYR 50 -3.759 -3.261 -2.164 336 HD1 TYR 50 1HD TYR 50 -3.550 -6.520 -0.393 337 HD2 TYR 50 2HD TYR 50 -3.726 -2.285 -0.029 338 HE1 TYR 50 1HE TYR 50 -3.060 -6.712 2.010 339 HE2 TYR 50 2HE TYR 50 -3.235 -2.464 2.374 340 HH TYR 50 HH TYR 50 -2.805 -3.825 4.068 341 H LYS 51 H LYS 51 -6.141 -5.742 -0.069 342 HA LYS 51 HA LYS 51 -8.155 -3.744 0.619 343 HB2 LYS 51 1HB LYS 51 -8.549 -6.279 0.690 344 HB3 LYS 51 2HB LYS 51 -7.560 -6.273 2.144 345 HG2 LYS 51 1HG LYS 51 -9.117 -4.985 3.332 346 HG3 LYS 51 2HG LYS 51 -9.972 -4.512 1.862 347 HD2 LYS 51 1HD LYS 51 -10.501 -6.987 1.568 348 HD3 LYS 51 2HD LYS 51 -9.949 -7.190 3.233 349 HE2 LYS 51 1HE LYS 51 -11.624 -5.581 3.987 350 HE3 LYS 51 2HE LYS 51 -12.165 -5.354 2.325 351 HZ1 LYS 51 1HZ LYS 51 -12.971 -7.309 4.167 352 HZ2 LYS 51 2HZ LYS 51 -12.212 -8.089 2.872 353 HZ3 LYS 51 3HZ LYS 51 -13.525 -7.061 2.588 354 H CYS 52 H CYS 52 -7.346 -2.021 1.642 355 HA CYS 52 HA CYS 52 -5.001 -1.805 3.060 356 HB2 CYS 52 1HB CYS 52 -5.796 0.262 3.882 357 HB3 CYS 52 2HB CYS 52 -6.608 0.046 2.335 358 HA PRO 53 HA PRO 53 -5.500 -3.856 6.908 359 HB2 PRO 53 1HB PRO 53 -4.041 -2.261 8.550 360 HB3 PRO 53 2HB PRO 53 -3.308 -3.322 7.341 361 HG2 PRO 53 1HG PRO 53 -3.859 -0.383 7.197 362 HG3 PRO 53 2HG PRO 53 -2.418 -1.278 6.679 363 HD2 PRO 53 1HD PRO 53 -4.326 -0.458 4.941 364 HD3 PRO 53 2HD PRO 53 -3.391 -1.947 4.700 365 H SER 54 H SER 54 -6.924 -0.913 6.278 366 HA SER 54 HA SER 54 -7.996 -0.548 8.972 367 HB2 SER 54 1HB SER 54 -7.374 1.520 8.023 368 HB3 SER 54 2HB SER 54 -8.080 1.113 6.459 369 HG SER 54 HG SER 54 -10.013 1.653 7.171 370 H CYS 55 H CYS 55 -8.909 -1.676 5.813 371 HA CYS 55 HA CYS 55 -11.729 -1.825 6.552 372 HB2 CYS 55 1HB CYS 55 -10.261 -2.397 3.976 373 HB3 CYS 55 2HB CYS 55 -11.982 -2.699 4.192 374 H SER 56 H SER 56 -9.120 -3.992 5.479 375 HA SER 56 HA SER 56 -10.375 -6.411 5.515 376 HB2 SER 56 1HB SER 56 -7.590 -5.586 6.253 377 HB3 SER 56 2HB SER 56 -8.083 -7.265 6.472 378 HG SER 56 HG SER 56 -7.123 -6.624 4.365 379 H ASN 57 H ASN 57 -9.672 -4.380 8.220 380 HA ASN 57 HA ASN 57 -10.307 -6.513 10.122 381 HB2 ASN 57 1HB ASN 57 -8.364 -4.739 10.335 382 HB3 ASN 57 2HB ASN 57 -9.652 -3.721 10.974 383 HD21 ASN 57 1HD2 ASN 57 -8.900 -3.646 13.042 384 HD22 ASN 57 2HD2 ASN 57 -8.864 -5.018 14.093 385 H LYS 58 H LYS 58 -11.206 -3.083 9.704 386 HA LYS 58 HA LYS 58 -13.143 -1.960 10.113 387 HB2 LYS 58 1HB LYS 58 -14.164 -4.629 9.175 388 HB3 LYS 58 2HB LYS 58 -15.271 -3.341 9.631 389 HG2 LYS 58 1HG LYS 58 -13.121 -2.689 7.696 390 HG3 LYS 58 2HG LYS 58 -14.463 -3.691 7.138 391 HD2 LYS 58 1HD LYS 58 -16.018 -1.940 8.051 392 HD3 LYS 58 2HD LYS 58 -14.601 -0.923 8.326 393 HE2 LYS 58 1HE LYS 58 -15.217 -0.179 6.257 394 HE3 LYS 58 2HE LYS 58 -14.135 -1.491 5.792 395 HZ1 LYS 58 1HZ LYS 58 -16.535 -1.259 4.781 396 HZ2 LYS 58 2HZ LYS 58 -16.965 -2.126 6.168 397 HZ3 LYS 58 3HZ LYS 58 -15.848 -2.776 5.076 398 H SER 59 H SER 59 -11.844 -3.176 12.356 399 HA SER 59 HA SER 59 -13.428 -4.586 14.109 400 HB2 SER 59 1HB SER 59 -12.112 -3.545 15.921 401 HB3 SER 59 2HB SER 59 -11.085 -4.042 14.577 402 HG SER 59 HG SER 59 -11.395 -1.759 13.854 403 H GLY 60 H GLY 60 -15.276 -4.211 15.145 404 HA2 GLY 60 1HA GLY 60 -16.160 -2.079 16.520 405 HA3 GLY 60 2HA GLY 60 -16.548 -1.619 14.869 406 HA PRO 61 HA PRO 61 -19.863 -4.394 16.855 407 HB2 PRO 61 1HB PRO 61 -21.750 -2.491 17.287 408 HB3 PRO 61 2HB PRO 61 -20.538 -2.934 18.495 409 HG2 PRO 61 1HG PRO 61 -20.566 -0.614 16.603 410 HG3 PRO 61 2HG PRO 61 -20.119 -0.654 18.318 411 HD2 PRO 61 1HD PRO 61 -18.278 -0.650 16.333 412 HD3 PRO 61 2HD PRO 61 -18.012 -1.479 17.880 413 H SER 62 H SER 62 -19.174 -2.821 14.137 414 HA SER 62 HA SER 62 -21.235 -2.115 12.630 415 HB2 SER 62 1HB SER 62 -19.028 -2.463 11.665 416 HB3 SER 62 2HB SER 62 -19.201 -4.210 11.827 417 HG SER 62 HG SER 62 -20.987 -2.627 10.305 418 H SER 63 H SER 63 -23.265 -2.778 12.509 419 HA SER 63 HA SER 63 -24.326 -5.134 13.435 420 HB2 SER 63 1HB SER 63 -25.257 -3.126 11.422 421 HB3 SER 63 2HB SER 63 -26.173 -4.620 11.617 422 HG SER 63 HG SER 63 -26.954 -2.998 13.004 423 H GLY 64 H GLY 64 -24.767 -7.143 12.620 424 HA2 GLY 64 1HA GLY 64 -24.128 -7.742 9.840 425 HA3 GLY 64 2HA GLY 64 -23.129 -8.530 11.052 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -9.901 13.114 24.957 2 HA2 GLY 1 1HA GLY 1 -10.845 15.001 23.582 3 HA3 GLY 1 2HA GLY 1 -9.766 13.948 22.679 4 H SER 2 H SER 2 -11.119 14.989 20.918 5 HA SER 2 HA SER 2 -13.669 13.576 20.550 6 HB2 SER 2 1HB SER 2 -14.276 15.285 18.978 7 HB3 SER 2 2HB SER 2 -13.618 16.096 20.399 8 HG SER 2 HG SER 2 -11.671 16.364 19.286 9 H SER 3 H SER 3 -13.642 11.837 19.307 10 HA SER 3 HA SER 3 -11.629 10.654 18.005 11 HB2 SER 3 1HB SER 3 -13.761 9.561 18.110 12 HB3 SER 3 2HB SER 3 -14.513 10.801 17.107 13 HG SER 3 HG SER 3 -13.903 8.773 16.032 14 H GLY 4 H GLY 4 -10.145 11.518 16.706 15 HA2 GLY 4 1HA GLY 4 -11.059 13.325 14.557 16 HA3 GLY 4 2HA GLY 4 -9.468 13.395 15.300 17 H SER 5 H SER 5 -11.463 11.853 12.933 18 HA SER 5 HA SER 5 -9.404 9.925 12.220 19 HB2 SER 5 1HB SER 5 -12.228 10.421 11.328 20 HB3 SER 5 2HB SER 5 -11.152 9.427 10.346 21 HG SER 5 HG SER 5 -11.744 7.897 11.659 22 H SER 6 H SER 6 -11.042 12.727 10.786 23 HA SER 6 HA SER 6 -10.116 12.909 8.295 24 HB2 SER 6 1HB SER 6 -10.135 15.302 8.460 25 HB3 SER 6 2HB SER 6 -11.372 14.698 9.562 26 HG SER 6 HG SER 6 -9.403 16.301 10.152 27 H GLY 7 H GLY 7 -8.222 12.438 7.407 28 HA2 GLY 7 1HA GLY 7 -5.835 13.812 8.145 29 HA3 GLY 7 2HA GLY 7 -5.797 12.143 8.694 30 H GLN 8 H GLN 8 -3.999 11.792 7.294 31 HA GLN 8 HA GLN 8 -4.709 11.676 4.438 32 HB2 GLN 8 1HB GLN 8 -1.895 11.545 5.482 33 HB3 GLN 8 2HB GLN 8 -2.453 11.997 3.877 34 HG2 GLN 8 1HG GLN 8 -1.927 14.049 4.681 35 HG3 GLN 8 2HG GLN 8 -3.606 13.957 5.210 36 HE21 GLN 8 1HE2 GLN 8 -0.286 13.394 6.258 37 HE22 GLN 8 2HE2 GLN 8 -0.564 13.735 7.929 38 H CYS 9 H CYS 9 -2.433 9.998 6.616 39 HA CYS 9 HA CYS 9 -3.264 7.465 5.363 40 HB2 CYS 9 1HB CYS 9 -0.984 7.735 4.867 41 HB3 CYS 9 2HB CYS 9 -0.622 8.390 6.460 42 H GLY 10 H GLY 10 -4.934 6.932 6.749 43 HA2 GLY 10 1HA GLY 10 -5.312 7.185 9.379 44 HA3 GLY 10 2HA GLY 10 -5.684 5.675 8.559 45 H ALA 11 H ALA 11 -2.884 5.100 7.948 46 HA ALA 11 HA ALA 11 -2.234 3.583 10.217 47 HB1 ALA 11 1HB ALA 11 0.029 4.234 8.483 48 HB2 ALA 11 2HB ALA 11 -0.669 2.669 8.902 49 HB3 ALA 11 3HB ALA 11 -1.391 3.642 7.620 50 H CYS 12 H CYS 12 -0.533 6.438 8.907 51 HA CYS 12 HA CYS 12 0.185 7.175 11.658 52 HB2 CYS 12 1HB CYS 12 2.461 7.695 11.002 53 HB3 CYS 12 2HB CYS 12 2.111 6.016 10.603 54 H GLY 13 H GLY 13 0.089 8.210 8.259 55 HA2 GLY 13 1HA GLY 13 -0.717 10.178 7.356 56 HA3 GLY 13 2HA GLY 13 -1.225 10.660 8.968 57 H GLU 14 H GLU 14 1.921 9.975 7.429 58 HA GLU 14 HA GLU 14 3.268 11.983 8.909 59 HB2 GLU 14 1HB GLU 14 3.975 10.293 6.534 60 HB3 GLU 14 2HB GLU 14 5.037 11.603 7.031 61 HG2 GLU 14 1HG GLU 14 4.135 9.484 8.949 62 HG3 GLU 14 2HG GLU 14 5.543 9.270 7.910 63 H SER 15 H SER 15 4.488 13.790 7.851 64 HA SER 15 HA SER 15 2.714 15.617 6.692 65 HB2 SER 15 1HB SER 15 4.715 16.300 7.951 66 HB3 SER 15 2HB SER 15 5.743 15.668 6.665 67 HG SER 15 HG SER 15 5.487 17.498 5.690 68 H TYR 16 H TYR 16 2.910 16.686 4.589 69 HA TYR 16 HA TYR 16 2.806 14.823 2.466 70 HB2 TYR 16 1HB TYR 16 1.571 17.025 2.602 71 HB3 TYR 16 2HB TYR 16 3.088 17.819 2.196 72 HD1 TYR 16 1HD TYR 16 0.564 15.410 0.946 73 HD2 TYR 16 2HD TYR 16 3.822 17.961 -0.042 74 HE1 TYR 16 1HE TYR 16 0.089 15.079 -1.444 75 HE2 TYR 16 2HE TYR 16 3.355 17.639 -2.436 76 HH TYR 16 HH TYR 16 0.664 15.588 -3.523 77 H ALA 17 H ALA 17 4.480 13.856 1.548 78 HA ALA 17 HA ALA 17 6.969 15.394 1.181 79 HB1 ALA 17 1HB ALA 17 7.192 13.611 2.878 80 HB2 ALA 17 2HB ALA 17 6.765 12.422 1.647 81 HB3 ALA 17 3HB ALA 17 8.243 13.369 1.483 82 H ALA 18 H ALA 18 8.195 14.932 -0.714 83 HA ALA 18 HA ALA 18 6.531 14.320 -2.995 84 HB1 ALA 18 1HB ALA 18 8.742 14.818 -4.227 85 HB2 ALA 18 2HB ALA 18 7.918 16.138 -3.398 86 HB3 ALA 18 3HB ALA 18 9.315 15.364 -2.651 87 H ASP 19 H ASP 19 9.343 12.922 -1.373 88 HA ASP 19 HA ASP 19 9.395 10.691 -3.247 89 HB2 ASP 19 1HB ASP 19 11.160 11.372 -0.887 90 HB3 ASP 19 2HB ASP 19 11.385 9.967 -1.925 91 H GLU 20 H GLU 20 7.316 9.832 -2.666 92 HA GLU 20 HA GLU 20 7.507 7.909 -0.520 93 HB2 GLU 20 1HB GLU 20 5.565 10.200 -0.442 94 HB3 GLU 20 2HB GLU 20 5.176 8.665 0.321 95 HG2 GLU 20 1HG GLU 20 7.532 10.427 0.955 96 HG3 GLU 20 2HG GLU 20 6.084 10.213 1.938 97 H PHE 21 H PHE 21 5.818 6.300 -0.598 98 HA PHE 21 HA PHE 21 4.418 6.225 -3.190 99 HB2 PHE 21 1HB PHE 21 5.937 4.544 -3.545 100 HB3 PHE 21 2HB PHE 21 6.104 4.186 -1.829 101 HD1 PHE 21 1HD PHE 21 3.545 3.988 -4.537 102 HD2 PHE 21 2HD PHE 21 5.227 2.215 -1.052 103 HE1 PHE 21 1HE PHE 21 2.046 2.055 -4.801 104 HE2 PHE 21 2HE PHE 21 3.731 0.279 -1.311 105 HZ PHE 21 HZ PHE 21 2.138 0.197 -3.188 106 H TRP 22 H TRP 22 2.351 6.642 -2.699 107 HA TRP 22 HA TRP 22 1.165 5.619 -0.257 108 HB2 TRP 22 1HB TRP 22 -0.042 7.263 -2.493 109 HB3 TRP 22 2HB TRP 22 -0.831 6.882 -0.965 110 HD1 TRP 22 HD TRP 22 2.287 8.798 -2.240 111 HE1 TRP 22 1HE TRP 22 2.751 10.733 -0.607 112 HE3 TRP 22 3HE TRP 22 -1.309 7.793 1.251 113 HZ2 TRP 22 2HZ TRP 22 1.728 11.704 1.838 114 HZ3 TRP 22 3HZ TRP 22 -1.500 9.273 3.208 115 HH2 TRP 22 HH TRP 22 -0.011 11.187 3.494 116 H ILE 23 H ILE 23 -0.644 4.238 -0.178 117 HA ILE 23 HA ILE 23 -0.830 2.432 -2.486 118 HB ILE 23 HB ILE 23 -1.487 0.707 -1.043 119 HG12 ILE 23 1HG1 ILE 23 -1.832 1.394 1.498 120 HG13 ILE 23 2HG1 ILE 23 -2.271 2.940 0.779 121 HG21 ILE 23 1HG2 ILE 23 0.169 1.020 0.974 122 HG22 ILE 23 2HG2 ILE 23 0.770 0.839 -0.673 123 HG23 ILE 23 3HG2 ILE 23 0.669 2.441 0.058 124 HD11 ILE 23 1HD1 ILE 23 -4.293 2.172 0.346 125 HD12 ILE 23 2HD1 ILE 23 -3.613 0.873 -0.634 126 HD13 ILE 23 3HD1 ILE 23 -3.861 0.636 1.096 127 H CYS 24 H CYS 24 -2.861 1.689 -3.221 128 HA CYS 24 HA CYS 24 -5.077 3.526 -2.603 129 HB2 CYS 24 1HB CYS 24 -4.322 3.676 -4.919 130 HB3 CYS 24 2HB CYS 24 -4.528 1.940 -5.120 131 HG CYS 24 HG CYS 24 -6.640 4.217 -5.850 132 H CYS 25 H CYS 25 -6.994 2.742 -1.925 133 HA CYS 25 HA CYS 25 -7.277 -0.189 -1.774 134 HB2 CYS 25 1HB CYS 25 -6.884 0.882 0.434 135 HB3 CYS 25 2HB CYS 25 -8.337 1.848 0.195 136 H ASP 26 H ASP 26 -8.910 -0.968 -2.915 137 HA ASP 26 HA ASP 26 -10.922 0.807 -3.996 138 HB2 ASP 26 1HB ASP 26 -9.893 -0.970 -5.383 139 HB3 ASP 26 2HB ASP 26 -10.608 -2.185 -4.327 140 H LEU 27 H LEU 27 -10.956 0.442 -1.141 141 HA LEU 27 HA LEU 27 -13.676 -0.629 -0.870 142 HB2 LEU 27 1HB LEU 27 -11.293 -1.232 0.855 143 HB3 LEU 27 2HB LEU 27 -12.942 -1.401 1.455 144 HG LEU 27 HG LEU 27 -12.386 -2.805 -1.071 145 HD11 LEU 27 1HD1 LEU 27 -10.615 -3.108 1.199 146 HD12 LEU 27 2HD1 LEU 27 -10.498 -3.785 -0.424 147 HD13 LEU 27 3HD1 LEU 27 -11.451 -4.611 0.808 148 HD21 LEU 27 1HD2 LEU 27 -14.475 -3.228 -0.144 149 HD22 LEU 27 2HD2 LEU 27 -13.839 -3.315 1.499 150 HD23 LEU 27 3HD2 LEU 27 -13.523 -4.625 0.359 151 H CYS 28 H CYS 28 -11.125 1.166 0.859 152 HA CYS 28 HA CYS 28 -13.196 2.847 2.075 153 HB2 CYS 28 1HB CYS 28 -10.290 3.051 2.771 154 HB3 CYS 28 2HB CYS 28 -11.702 3.340 3.783 155 H GLU 29 H GLU 29 -10.517 2.919 -0.148 156 HA GLU 29 HA GLU 29 -9.841 4.489 -1.654 157 HB2 GLU 29 1HB GLU 29 -12.219 6.120 -0.757 158 HB3 GLU 29 2HB GLU 29 -11.320 6.295 -2.257 159 HG2 GLU 29 1HG GLU 29 -13.014 3.937 -1.468 160 HG3 GLU 29 2HG GLU 29 -13.437 5.184 -2.640 161 H MET 30 H MET 30 -8.645 4.462 0.831 162 HA MET 30 HA MET 30 -8.346 7.288 1.566 163 HB2 MET 30 1HB MET 30 -7.692 4.717 2.983 164 HB3 MET 30 2HB MET 30 -6.995 6.246 3.500 165 HG2 MET 30 1HG MET 30 -9.951 5.778 3.243 166 HG3 MET 30 2HG MET 30 -9.047 5.516 4.732 167 HE1 MET 30 1HE MET 30 -7.823 7.088 5.973 168 HE2 MET 30 2HE MET 30 -7.034 8.288 4.950 169 HE3 MET 30 3HE MET 30 -8.231 8.796 6.142 170 H TRP 31 H TRP 31 -5.902 7.532 2.514 171 HA TRP 31 HA TRP 31 -4.108 6.671 0.340 172 HB2 TRP 31 1HB TRP 31 -4.136 9.351 1.746 173 HB3 TRP 31 2HB TRP 31 -2.946 8.842 0.551 174 HD1 TRP 31 HD TRP 31 -6.555 10.037 0.865 175 HE1 TRP 31 1HE TRP 31 -7.436 10.638 -1.478 176 HE3 TRP 31 3HE TRP 31 -2.665 8.272 -1.944 177 HZ2 TRP 31 2HZ TRP 31 -6.594 10.396 -4.161 178 HZ3 TRP 31 3HZ TRP 31 -2.781 8.495 -4.392 179 HH2 TRP 31 HH TRP 31 -4.706 9.535 -5.475 180 H PHE 32 H PHE 32 -3.147 5.002 1.444 181 HA PHE 32 HA PHE 32 -1.825 5.660 3.986 182 HB2 PHE 32 1HB PHE 32 -2.241 2.901 2.832 183 HB3 PHE 32 2HB PHE 32 -1.791 3.322 4.482 184 HD1 PHE 32 1HD PHE 32 -3.679 5.370 5.222 185 HD2 PHE 32 2HD PHE 32 -4.285 1.850 2.907 186 HE1 PHE 32 1HE PHE 32 -6.052 5.354 5.873 187 HE2 PHE 32 2HE PHE 32 -6.659 1.829 3.553 188 HZ PHE 32 HZ PHE 32 -7.546 3.583 5.037 189 H HIS 33 H HIS 33 0.252 4.223 4.269 190 HA HIS 33 HA HIS 33 1.938 4.776 1.929 191 HB2 HIS 33 1HB HIS 33 2.673 4.393 4.838 192 HB3 HIS 33 2HB HIS 33 3.832 4.670 3.541 193 HD2 HIS 33 2HD HIS 33 2.363 7.199 2.076 194 HE1 HIS 33 1HE HIS 33 2.540 8.997 5.914 195 HE2 HIS 33 2HE HIS 33 2.158 9.378 3.454 196 H GLY 34 H GLY 34 3.051 3.197 0.908 197 HA2 GLY 34 1HA GLY 34 2.302 0.612 0.796 198 HA3 GLY 34 2HA GLY 34 3.963 1.105 0.500 199 H LYS 35 H LYS 35 5.189 1.541 2.674 200 HA LYS 35 HA LYS 35 5.555 -0.891 3.950 201 HB2 LYS 35 1HB LYS 35 7.096 0.186 5.316 202 HB3 LYS 35 2HB LYS 35 7.043 1.237 3.906 203 HG2 LYS 35 1HG LYS 35 5.386 1.733 6.362 204 HG3 LYS 35 2HG LYS 35 7.018 2.373 6.157 205 HD2 LYS 35 1HD LYS 35 4.950 2.818 4.041 206 HD3 LYS 35 2HD LYS 35 4.971 3.830 5.487 207 HE2 LYS 35 1HE LYS 35 6.354 5.077 4.188 208 HE3 LYS 35 2HE LYS 35 7.555 3.973 4.855 209 HZ1 LYS 35 1HZ LYS 35 6.162 3.399 2.312 210 HZ2 LYS 35 2HZ LYS 35 7.601 2.730 2.896 211 HZ3 LYS 35 3HZ LYS 35 7.571 4.335 2.360 212 H CYS 36 H CYS 36 3.564 1.866 4.912 213 HA CYS 36 HA CYS 36 2.839 0.989 7.463 214 HB2 CYS 36 1HB CYS 36 1.600 2.820 5.448 215 HB3 CYS 36 2HB CYS 36 0.664 2.356 6.866 216 H VAL 37 H VAL 37 1.215 0.473 4.342 217 HA VAL 37 HA VAL 37 -0.778 -1.248 5.509 218 HB VAL 37 HB VAL 37 -1.097 0.232 3.451 219 HG11 VAL 37 1HG1 VAL 37 0.878 -0.377 2.215 220 HG12 VAL 37 2HG1 VAL 37 0.380 -2.070 2.180 221 HG13 VAL 37 3HG1 VAL 37 -0.547 -0.858 1.294 222 HG21 VAL 37 1HG2 VAL 37 -2.953 -1.017 3.662 223 HG22 VAL 37 2HG2 VAL 37 -2.294 -1.920 2.298 224 HG23 VAL 37 3HG2 VAL 37 -2.044 -2.502 3.944 225 H LYS 38 H LYS 38 2.308 -1.808 5.298 226 HA LYS 38 HA LYS 38 3.631 -3.654 5.192 227 HB2 LYS 38 1HB LYS 38 0.956 -5.059 5.256 228 HB3 LYS 38 2HB LYS 38 2.505 -5.879 5.400 229 HG2 LYS 38 1HG LYS 38 2.974 -4.485 7.413 230 HG3 LYS 38 2HG LYS 38 1.323 -3.870 7.303 231 HD2 LYS 38 1HD LYS 38 1.758 -6.819 7.316 232 HD3 LYS 38 2HD LYS 38 1.913 -5.932 8.834 233 HE2 LYS 38 1HE LYS 38 -0.321 -5.141 8.697 234 HE3 LYS 38 2HE LYS 38 -0.482 -5.686 7.028 235 HZ1 LYS 38 1HZ LYS 38 -1.591 -7.140 8.671 236 HZ2 LYS 38 2HZ LYS 38 -0.080 -7.505 9.338 237 HZ3 LYS 38 3HZ LYS 38 -0.429 -7.948 7.743 238 H ILE 39 H ILE 39 3.307 -2.391 2.815 239 HA ILE 39 HA ILE 39 3.482 -4.625 0.933 240 HB ILE 39 HB ILE 39 1.715 -2.215 0.601 241 HG12 ILE 39 1HG1 ILE 39 1.205 -5.133 0.004 242 HG13 ILE 39 2HG1 ILE 39 0.843 -4.384 1.555 243 HG21 ILE 39 1HG2 ILE 39 2.897 -3.962 -1.545 244 HG22 ILE 39 2HG2 ILE 39 1.456 -2.975 -1.786 245 HG23 ILE 39 3HG2 ILE 39 2.996 -2.208 -1.396 246 HD11 ILE 39 1HD1 ILE 39 -0.694 -2.842 0.435 247 HD12 ILE 39 2HD1 ILE 39 -0.350 -3.636 -1.103 248 HD13 ILE 39 3HD1 ILE 39 -1.144 -4.530 0.193 249 H THR 40 H THR 40 5.347 -4.517 -0.111 250 HA THR 40 HA THR 40 7.105 -2.314 0.090 251 HB THR 40 HB THR 40 8.465 -3.533 -1.637 252 HG1 THR 40 1HG THR 40 7.704 -5.421 -2.465 253 HG21 THR 40 1HG2 THR 40 7.813 -5.669 0.263 254 HG22 THR 40 2HG2 THR 40 8.089 -4.096 1.011 255 HG23 THR 40 3HG2 THR 40 9.333 -4.819 -0.008 256 HA PRO 41 HA PRO 41 5.950 0.276 -3.264 257 HB2 PRO 41 1HB PRO 41 8.367 1.270 -3.999 258 HB3 PRO 41 2HB PRO 41 7.544 1.750 -2.511 259 HG2 PRO 41 1HG PRO 41 9.751 -0.235 -2.898 260 HG3 PRO 41 2HG PRO 41 9.559 0.992 -1.632 261 HD2 PRO 41 1HD PRO 41 8.963 -1.619 -1.233 262 HD3 PRO 41 2HD PRO 41 8.087 -0.305 -0.423 263 H ALA 42 H ALA 42 7.938 -2.450 -3.709 264 HA ALA 42 HA ALA 42 8.060 -2.123 -6.613 265 HB1 ALA 42 1HB ALA 42 10.102 -2.848 -5.536 266 HB2 ALA 42 2HB ALA 42 9.266 -4.224 -4.817 267 HB3 ALA 42 3HB ALA 42 9.477 -4.137 -6.566 268 H ARG 43 H ARG 43 6.940 -4.516 -4.222 269 HA ARG 43 HA ARG 43 5.734 -6.302 -5.967 270 HB2 ARG 43 1HB ARG 43 5.983 -6.934 -3.689 271 HB3 ARG 43 2HB ARG 43 5.067 -5.541 -3.128 272 HG2 ARG 43 1HG ARG 43 3.025 -6.460 -3.898 273 HG3 ARG 43 2HG ARG 43 3.860 -7.728 -4.798 274 HD2 ARG 43 1HD ARG 43 3.776 -7.411 -1.800 275 HD3 ARG 43 2HD ARG 43 2.915 -8.623 -2.748 276 HE ARG 43 HE ARG 43 4.897 -9.795 -3.021 277 HH11 ARG 43 2HH1 ARG 43 5.470 -6.751 -1.431 278 HH12 ARG 43 1HH1 ARG 43 7.081 -7.161 -0.943 279 HH21 ARG 43 2HH2 ARG 43 7.016 -10.346 -2.383 280 HH22 ARG 43 1HH2 ARG 43 7.960 -9.205 -1.486 281 H ALA 44 H ALA 44 4.483 -3.308 -4.592 282 HA ALA 44 HA ALA 44 1.844 -3.324 -5.039 283 HB1 ALA 44 1HB ALA 44 3.826 -1.319 -4.905 284 HB2 ALA 44 2HB ALA 44 2.777 -0.926 -6.267 285 HB3 ALA 44 3HB ALA 44 2.087 -1.153 -4.660 286 H GLU 45 H GLU 45 4.298 -3.124 -7.571 287 HA GLU 45 HA GLU 45 2.785 -2.536 -9.780 288 HB2 GLU 45 1HB GLU 45 5.040 -4.539 -9.578 289 HB3 GLU 45 2HB GLU 45 4.415 -3.884 -11.084 290 HG2 GLU 45 1HG GLU 45 4.957 -1.591 -9.871 291 HG3 GLU 45 2HG GLU 45 6.114 -2.613 -9.020 292 H HIS 46 H HIS 46 3.276 -5.741 -8.327 293 HA HIS 46 HA HIS 46 1.587 -7.086 -10.189 294 HB2 HIS 46 1HB HIS 46 2.537 -7.953 -7.450 295 HB3 HIS 46 2HB HIS 46 1.777 -9.000 -8.645 296 HD1 HIS 46 1HD HIS 46 3.761 -10.528 -9.023 297 HD2 HIS 46 2HD HIS 46 4.665 -6.514 -9.596 298 HE1 HIS 46 1HE HIS 46 6.052 -10.496 -10.059 299 HE2 HIS 46 2HE HIS 46 6.613 -8.055 -10.318 300 H ILE 47 H ILE 47 1.137 -5.735 -6.964 301 HA ILE 47 HA ILE 47 -1.451 -6.759 -6.506 302 HB ILE 47 HB ILE 47 -0.164 -4.256 -5.411 303 HG12 ILE 47 1HG1 ILE 47 -0.459 -7.004 -4.181 304 HG13 ILE 47 2HG1 ILE 47 1.017 -6.395 -4.922 305 HG21 ILE 47 1HG2 ILE 47 -1.853 -4.209 -3.741 306 HG22 ILE 47 2HG2 ILE 47 -2.673 -4.328 -5.297 307 HG23 ILE 47 3HG2 ILE 47 -2.513 -5.755 -4.274 308 HD11 ILE 47 1HD1 ILE 47 -0.339 -5.414 -2.431 309 HD12 ILE 47 2HD1 ILE 47 1.262 -6.138 -2.592 310 HD13 ILE 47 3HD1 ILE 47 0.952 -4.528 -3.241 311 H LYS 48 H LYS 48 -3.483 -5.843 -6.769 312 HA LYS 48 HA LYS 48 -3.620 -3.512 -8.565 313 HB2 LYS 48 1HB LYS 48 -5.262 -6.046 -8.653 314 HB3 LYS 48 2HB LYS 48 -5.673 -4.589 -9.548 315 HG2 LYS 48 1HG LYS 48 -2.970 -5.811 -9.870 316 HG3 LYS 48 2HG LYS 48 -4.360 -6.504 -10.709 317 HD2 LYS 48 1HD LYS 48 -4.804 -4.401 -11.804 318 HD3 LYS 48 2HD LYS 48 -3.531 -3.607 -10.874 319 HE2 LYS 48 1HE LYS 48 -1.840 -4.910 -11.962 320 HE3 LYS 48 2HE LYS 48 -3.053 -5.912 -12.757 321 HZ1 LYS 48 1HZ LYS 48 -2.546 -3.028 -13.248 322 HZ2 LYS 48 2HZ LYS 48 -3.811 -3.910 -13.944 323 HZ3 LYS 48 3HZ LYS 48 -2.206 -4.307 -14.302 324 H GLN 49 H GLN 49 -5.701 -5.538 -6.487 325 HA GLN 49 HA GLN 49 -6.788 -3.061 -5.329 326 HB2 GLN 49 1HB GLN 49 -8.996 -4.241 -5.166 327 HB3 GLN 49 2HB GLN 49 -8.489 -3.861 -6.806 328 HG2 GLN 49 1HG GLN 49 -7.754 -6.158 -7.127 329 HG3 GLN 49 2HG GLN 49 -8.226 -6.547 -5.473 330 HE21 GLN 49 1HE2 GLN 49 -10.614 -5.529 -5.118 331 HE22 GLN 49 2HE2 GLN 49 -11.759 -6.132 -6.262 332 H TYR 50 H TYR 50 -5.004 -3.677 -3.785 333 HA TYR 50 HA TYR 50 -5.315 -5.969 -2.127 334 HB2 TYR 50 1HB TYR 50 -3.137 -4.952 -2.349 335 HB3 TYR 50 2HB TYR 50 -3.744 -3.415 -1.742 336 HD1 TYR 50 1HD TYR 50 -2.926 -6.892 -0.802 337 HD2 TYR 50 2HD TYR 50 -3.919 -2.998 0.594 338 HE1 TYR 50 1HE TYR 50 -2.317 -7.564 1.484 339 HE2 TYR 50 2HE TYR 50 -3.312 -3.658 2.885 340 HH TYR 50 HH TYR 50 -1.646 -6.565 3.579 341 H LYS 51 H LYS 51 -6.017 -6.087 0.027 342 HA LYS 51 HA LYS 51 -8.064 -4.102 0.701 343 HB2 LYS 51 1HB LYS 51 -8.671 -6.528 0.567 344 HB3 LYS 51 2HB LYS 51 -7.602 -6.823 1.932 345 HG2 LYS 51 1HG LYS 51 -8.964 -5.549 3.391 346 HG3 LYS 51 2HG LYS 51 -9.914 -4.907 2.049 347 HD2 LYS 51 1HD LYS 51 -10.439 -7.425 1.594 348 HD3 LYS 51 2HD LYS 51 -9.964 -7.630 3.281 349 HE2 LYS 51 1HE LYS 51 -11.646 -6.036 3.981 350 HE3 LYS 51 2HE LYS 51 -12.073 -5.708 2.303 351 HZ1 LYS 51 1HZ LYS 51 -12.216 -8.492 2.950 352 HZ2 LYS 51 2HZ LYS 51 -13.375 -7.493 2.230 353 HZ3 LYS 51 3HZ LYS 51 -13.245 -7.559 3.916 354 H CYS 52 H CYS 52 -7.046 -2.463 1.747 355 HA CYS 52 HA CYS 52 -4.864 -2.569 3.421 356 HB2 CYS 52 1HB CYS 52 -5.319 -0.381 3.942 357 HB3 CYS 52 2HB CYS 52 -6.350 -0.559 2.526 358 HA PRO 53 HA PRO 53 -6.063 -4.440 7.203 359 HB2 PRO 53 1HB PRO 53 -4.706 -2.948 9.021 360 HB3 PRO 53 2HB PRO 53 -3.912 -4.094 7.934 361 HG2 PRO 53 1HG PRO 53 -4.169 -1.121 7.693 362 HG3 PRO 53 2HG PRO 53 -2.758 -2.151 7.387 363 HD2 PRO 53 1HD PRO 53 -4.325 -1.198 5.396 364 HD3 PRO 53 2HD PRO 53 -3.505 -2.769 5.297 365 H SER 54 H SER 54 -6.674 -1.062 6.711 366 HA SER 54 HA SER 54 -8.063 -0.488 9.093 367 HB2 SER 54 1HB SER 54 -7.215 1.085 7.167 368 HB3 SER 54 2HB SER 54 -8.824 0.808 6.500 369 HG SER 54 HG SER 54 -9.566 2.159 7.911 370 H CYS 55 H CYS 55 -9.129 -1.765 5.977 371 HA CYS 55 HA CYS 55 -11.877 -1.965 6.930 372 HB2 CYS 55 1HB CYS 55 -12.163 -2.984 4.553 373 HB3 CYS 55 2HB CYS 55 -11.874 -1.254 4.714 374 H SER 56 H SER 56 -9.478 -4.162 5.462 375 HA SER 56 HA SER 56 -10.617 -6.567 5.631 376 HB2 SER 56 1HB SER 56 -8.431 -6.754 4.949 377 HB3 SER 56 2HB SER 56 -7.834 -5.669 6.205 378 HG SER 56 HG SER 56 -7.342 -7.393 7.278 379 H ASN 57 H ASN 57 -9.458 -4.725 8.401 380 HA ASN 57 HA ASN 57 -9.489 -6.478 10.453 381 HB2 ASN 57 1HB ASN 57 -9.150 -3.977 10.588 382 HB3 ASN 57 2HB ASN 57 -10.903 -3.814 10.625 383 HD21 ASN 57 1HD2 ASN 57 -8.129 -5.152 12.305 384 HD22 ASN 57 2HD2 ASN 57 -8.865 -5.204 13.868 385 H LYS 58 H LYS 58 -12.395 -4.888 9.149 386 HA LYS 58 HA LYS 58 -14.247 -6.171 10.821 387 HB2 LYS 58 1HB LYS 58 -15.907 -5.249 9.472 388 HB3 LYS 58 2HB LYS 58 -14.556 -4.148 9.234 389 HG2 LYS 58 1HG LYS 58 -13.996 -5.438 7.157 390 HG3 LYS 58 2HG LYS 58 -15.521 -6.301 7.370 391 HD2 LYS 58 1HD LYS 58 -16.791 -4.464 6.856 392 HD3 LYS 58 2HD LYS 58 -15.563 -3.325 7.415 393 HE2 LYS 58 1HE LYS 58 -14.197 -4.257 5.394 394 HE3 LYS 58 2HE LYS 58 -15.779 -4.760 4.802 395 HZ1 LYS 58 1HZ LYS 58 -16.523 -2.453 5.005 396 HZ2 LYS 58 2HZ LYS 58 -15.213 -2.594 3.945 397 HZ3 LYS 58 3HZ LYS 58 -14.976 -1.989 5.507 398 H SER 59 H SER 59 -15.938 -7.725 10.056 399 HA SER 59 HA SER 59 -15.185 -9.567 7.967 400 HB2 SER 59 1HB SER 59 -13.781 -10.388 9.792 401 HB3 SER 59 2HB SER 59 -15.183 -10.469 10.858 402 HG SER 59 HG SER 59 -16.072 -12.007 9.357 403 H GLY 60 H GLY 60 -16.929 -10.583 7.136 404 HA2 GLY 60 1HA GLY 60 -19.131 -11.657 8.139 405 HA3 GLY 60 2HA GLY 60 -19.515 -9.953 8.337 406 HA PRO 61 HA PRO 61 -21.264 -10.120 4.299 407 HB2 PRO 61 1HB PRO 61 -21.419 -7.450 3.831 408 HB3 PRO 61 2HB PRO 61 -22.509 -8.297 4.934 409 HG2 PRO 61 1HG PRO 61 -20.068 -6.680 5.555 410 HG3 PRO 61 2HG PRO 61 -21.639 -6.693 6.376 411 HD2 PRO 61 1HD PRO 61 -19.483 -8.020 7.335 412 HD3 PRO 61 2HD PRO 61 -21.144 -8.605 7.564 413 H SER 62 H SER 62 -18.132 -9.478 4.946 414 HA SER 62 HA SER 62 -16.936 -8.016 3.042 415 HB2 SER 62 1HB SER 62 -15.097 -9.713 2.990 416 HB3 SER 62 2HB SER 62 -15.624 -9.293 4.620 417 HG SER 62 HG SER 62 -16.347 -11.260 4.899 418 H SER 63 H SER 63 -16.047 -8.433 0.927 419 HA SER 63 HA SER 63 -17.607 -10.378 -0.641 420 HB2 SER 63 1HB SER 63 -17.012 -7.488 -1.244 421 HB3 SER 63 2HB SER 63 -17.390 -8.633 -2.531 422 HG SER 63 HG SER 63 -19.341 -7.906 -1.991 423 H GLY 64 H GLY 64 -16.285 -11.879 -1.415 424 HA2 GLY 64 1HA GLY 64 -13.780 -11.039 -2.678 425 HA3 GLY 64 2HA GLY 64 -13.685 -12.232 -1.390 Start of MODEL 14 1 H1 GLY 1 H GLY 1 1.097 21.053 4.722 2 HA2 GLY 1 1HA GLY 1 -0.171 21.844 2.586 3 HA3 GLY 1 2HA GLY 1 -0.619 20.146 2.520 4 H SER 2 H SER 2 -1.534 23.154 3.600 5 HA SER 2 HA SER 2 -3.216 22.056 5.746 6 HB2 SER 2 1HB SER 2 -3.573 24.477 6.351 7 HB3 SER 2 2HB SER 2 -1.907 23.920 6.510 8 HG SER 2 HG SER 2 -1.366 25.390 5.125 9 H SER 3 H SER 3 -5.099 21.366 4.952 10 HA SER 3 HA SER 3 -6.501 23.084 3.009 11 HB2 SER 3 1HB SER 3 -6.452 20.094 3.352 12 HB3 SER 3 2HB SER 3 -7.787 20.890 2.518 13 HG SER 3 HG SER 3 -6.404 21.596 0.966 14 H GLY 4 H GLY 4 -7.089 20.775 5.663 15 HA2 GLY 4 1HA GLY 4 -8.586 22.276 7.333 16 HA3 GLY 4 2HA GLY 4 -9.750 21.828 6.094 17 H SER 5 H SER 5 -7.180 20.202 7.962 18 HA SER 5 HA SER 5 -7.140 18.214 9.069 19 HB2 SER 5 1HB SER 5 -9.955 19.147 9.468 20 HB3 SER 5 2HB SER 5 -9.517 17.519 9.985 21 HG SER 5 HG SER 5 -8.424 19.984 10.846 22 H SER 6 H SER 6 -7.176 17.987 6.333 23 HA SER 6 HA SER 6 -8.536 15.418 6.006 24 HB2 SER 6 1HB SER 6 -10.072 16.922 4.939 25 HB3 SER 6 2HB SER 6 -8.763 17.755 4.100 26 HG SER 6 HG SER 6 -8.984 15.019 3.667 27 H GLY 7 H GLY 7 -7.478 13.961 4.682 28 HA2 GLY 7 1HA GLY 7 -5.834 13.218 3.185 29 HA3 GLY 7 2HA GLY 7 -5.128 14.828 3.196 30 H GLN 8 H GLN 8 -5.558 11.943 5.220 31 HA GLN 8 HA GLN 8 -2.796 12.157 6.079 32 HB2 GLN 8 1HB GLN 8 -4.427 13.457 7.674 33 HB3 GLN 8 2HB GLN 8 -4.826 11.846 8.255 34 HG2 GLN 8 1HG GLN 8 -2.549 11.447 8.891 35 HG3 GLN 8 2HG GLN 8 -2.037 12.967 8.159 36 HE21 GLN 8 1HE2 GLN 8 -1.399 12.458 10.738 37 HE22 GLN 8 2HE2 GLN 8 -2.314 13.473 11.795 38 H CYS 9 H CYS 9 -1.890 10.208 6.531 39 HA CYS 9 HA CYS 9 -3.248 7.866 5.704 40 HB2 CYS 9 1HB CYS 9 -0.883 7.956 5.400 41 HB3 CYS 9 2HB CYS 9 -0.611 8.302 7.105 42 H GLY 10 H GLY 10 -4.664 6.691 6.803 43 HA2 GLY 10 1HA GLY 10 -5.359 7.149 9.481 44 HA3 GLY 10 2HA GLY 10 -5.821 5.739 8.540 45 H ALA 11 H ALA 11 -3.193 4.759 8.044 46 HA ALA 11 HA ALA 11 -2.807 3.103 10.238 47 HB1 ALA 11 1HB ALA 11 -1.617 3.472 7.699 48 HB2 ALA 11 2HB ALA 11 -0.318 3.412 8.891 49 HB3 ALA 11 3HB ALA 11 -1.477 2.088 8.783 50 H CYS 12 H CYS 12 -0.845 5.926 9.280 51 HA CYS 12 HA CYS 12 -0.077 6.228 12.106 52 HB2 CYS 12 1HB CYS 12 2.168 6.828 11.474 53 HB3 CYS 12 2HB CYS 12 1.784 5.279 10.730 54 H GLY 13 H GLY 13 -0.411 7.820 8.954 55 HA2 GLY 13 1HA GLY 13 -1.295 9.903 8.473 56 HA3 GLY 13 2HA GLY 13 -1.604 10.127 10.188 57 H GLU 14 H GLU 14 1.505 9.408 8.676 58 HA GLU 14 HA GLU 14 2.896 11.356 10.131 59 HB2 GLU 14 1HB GLU 14 3.505 9.675 7.743 60 HB3 GLU 14 2HB GLU 14 4.583 11.013 8.114 61 HG2 GLU 14 1HG GLU 14 4.722 10.045 10.459 62 HG3 GLU 14 2HG GLU 14 3.963 8.604 9.786 63 H SER 15 H SER 15 4.135 13.189 9.169 64 HA SER 15 HA SER 15 2.384 15.086 8.064 65 HB2 SER 15 1HB SER 15 4.572 15.427 9.424 66 HB3 SER 15 2HB SER 15 5.373 15.342 7.855 67 HG SER 15 HG SER 15 3.957 17.373 8.959 68 H TYR 16 H TYR 16 2.654 16.259 6.026 69 HA TYR 16 HA TYR 16 2.369 14.706 3.792 70 HB2 TYR 16 1HB TYR 16 2.058 17.292 4.187 71 HB3 TYR 16 2HB TYR 16 3.670 17.383 3.487 72 HD1 TYR 16 2HD TYR 16 4.038 16.429 1.174 73 HD2 TYR 16 1HD TYR 16 0.158 17.005 2.823 74 HE1 TYR 16 2HE TYR 16 3.068 16.319 -1.084 75 HE2 TYR 16 1HE TYR 16 -0.822 16.896 0.570 76 HH TYR 16 HH TYR 16 1.198 16.286 -2.285 77 H ALA 17 H ALA 17 3.705 13.325 2.852 78 HA ALA 17 HA ALA 17 6.599 13.805 3.000 79 HB1 ALA 17 1HB ALA 17 6.940 11.552 2.991 80 HB2 ALA 17 2HB ALA 17 5.334 11.593 3.721 81 HB3 ALA 17 3HB ALA 17 5.514 11.226 2.005 82 H ALA 18 H ALA 18 7.912 13.408 1.119 83 HA ALA 18 HA ALA 18 6.486 14.033 -1.379 84 HB1 ALA 18 1HB ALA 18 8.276 15.610 -0.351 85 HB2 ALA 18 2HB ALA 18 9.424 14.455 -1.030 86 HB3 ALA 18 3HB ALA 18 8.287 15.293 -2.087 87 H ASP 19 H ASP 19 9.432 12.343 -0.279 88 HA ASP 19 HA ASP 19 9.327 10.626 -2.629 89 HB2 ASP 19 1HB ASP 19 11.355 11.118 -0.471 90 HB3 ASP 19 2HB ASP 19 11.470 9.683 -1.485 91 H GLU 20 H GLU 20 7.235 9.732 -1.779 92 HA GLU 20 HA GLU 20 7.815 7.303 -0.265 93 HB2 GLU 20 1HB GLU 20 5.707 9.327 0.478 94 HB3 GLU 20 2HB GLU 20 5.647 7.656 1.021 95 HG2 GLU 20 1HG GLU 20 8.039 9.393 1.516 96 HG3 GLU 20 2HG GLU 20 6.649 9.383 2.600 97 H PHE 21 H PHE 21 5.915 5.773 -0.337 98 HA PHE 21 HA PHE 21 4.460 6.069 -2.882 99 HB2 PHE 21 1HB PHE 21 5.875 4.363 -3.472 100 HB3 PHE 21 2HB PHE 21 6.061 3.800 -1.814 101 HD1 PHE 21 1HD PHE 21 3.229 4.179 -4.222 102 HD2 PHE 21 2HD PHE 21 5.298 1.674 -1.471 103 HE1 PHE 21 1HE PHE 21 1.618 2.371 -4.661 104 HE2 PHE 21 2HE PHE 21 3.691 -0.137 -1.907 105 HZ PHE 21 HZ PHE 21 1.849 0.210 -3.504 106 H TRP 22 H TRP 22 2.357 6.255 -2.537 107 HA TRP 22 HA TRP 22 1.188 5.125 -0.105 108 HB2 TRP 22 1HB TRP 22 -0.112 6.956 -2.130 109 HB3 TRP 22 2HB TRP 22 -0.702 6.566 -0.516 110 HD1 TRP 22 HD TRP 22 2.422 8.270 -2.081 111 HE1 TRP 22 1HE TRP 22 3.135 10.190 -0.521 112 HE3 TRP 22 3HE TRP 22 -1.015 7.606 1.645 113 HZ2 TRP 22 2HZ TRP 22 2.345 11.277 1.961 114 HZ3 TRP 22 3HZ TRP 22 -0.968 9.128 3.577 115 HH2 TRP 22 HH TRP 22 0.678 10.925 3.730 116 H ILE 23 H ILE 23 -0.732 3.863 -0.168 117 HA ILE 23 HA ILE 23 -0.952 2.265 -2.620 118 HB ILE 23 HB ILE 23 -1.645 0.455 -1.358 119 HG12 ILE 23 1HG1 ILE 23 -2.263 0.959 1.187 120 HG13 ILE 23 2HG1 ILE 23 -2.678 2.532 0.515 121 HG21 ILE 23 1HG2 ILE 23 0.572 1.937 -0.381 122 HG22 ILE 23 2HG2 ILE 23 -0.220 1.160 0.988 123 HG23 ILE 23 3HG2 ILE 23 0.327 0.191 -0.380 124 HD11 ILE 23 1HD1 ILE 23 -4.514 0.765 0.702 125 HD12 ILE 23 2HD1 ILE 23 -4.364 1.648 -0.818 126 HD13 ILE 23 3HD1 ILE 23 -3.737 0.005 -0.687 127 H CYS 24 H CYS 24 -3.105 1.497 -3.245 128 HA CYS 24 HA CYS 24 -5.185 3.495 -2.643 129 HB2 CYS 24 1HB CYS 24 -4.691 1.989 -5.219 130 HB3 CYS 24 2HB CYS 24 -6.064 3.048 -4.926 131 HG CYS 24 HG CYS 24 -3.111 4.513 -4.372 132 H CYS 25 H CYS 25 -6.538 2.563 -1.239 133 HA CYS 25 HA CYS 25 -7.079 -0.259 -1.263 134 HB2 CYS 25 1HB CYS 25 -7.036 0.909 0.858 135 HB3 CYS 25 2HB CYS 25 -8.299 2.011 0.319 136 H ASP 26 H ASP 26 -9.274 -1.145 -1.388 137 HA ASP 26 HA ASP 26 -10.707 0.035 -3.637 138 HB2 ASP 26 1HB ASP 26 -11.956 -2.144 -3.619 139 HB3 ASP 26 2HB ASP 26 -10.220 -2.303 -3.870 140 H LEU 27 H LEU 27 -11.273 -0.955 -0.290 141 HA LEU 27 HA LEU 27 -14.030 -0.132 -0.331 142 HB2 LEU 27 1HB LEU 27 -12.148 -1.182 1.732 143 HB3 LEU 27 2HB LEU 27 -13.648 -0.412 2.244 144 HG LEU 27 HG LEU 27 -13.834 -2.579 0.221 145 HD11 LEU 27 1HD1 LEU 27 -12.263 -3.550 1.768 146 HD12 LEU 27 2HD1 LEU 27 -13.850 -4.277 2.015 147 HD13 LEU 27 3HD1 LEU 27 -13.255 -3.057 3.140 148 HD21 LEU 27 1HD2 LEU 27 -15.780 -3.070 1.912 149 HD22 LEU 27 2HD2 LEU 27 -15.915 -1.765 0.734 150 HD23 LEU 27 3HD2 LEU 27 -15.483 -1.403 2.406 151 H CYS 28 H CYS 28 -11.383 0.927 1.808 152 HA CYS 28 HA CYS 28 -12.645 3.441 2.310 153 HB2 CYS 28 1HB CYS 28 -9.752 3.037 2.902 154 HB3 CYS 28 2HB CYS 28 -11.006 3.782 3.888 155 H GLU 29 H GLU 29 -10.157 2.298 0.137 156 HA GLU 29 HA GLU 29 -8.877 3.346 -1.442 157 HB2 GLU 29 1HB GLU 29 -10.131 4.809 -2.943 158 HB3 GLU 29 2HB GLU 29 -11.090 3.407 -2.493 159 HG2 GLU 29 1HG GLU 29 -12.401 4.696 -0.978 160 HG3 GLU 29 2HG GLU 29 -11.341 6.091 -1.165 161 H MET 30 H MET 30 -8.456 4.346 1.179 162 HA MET 30 HA MET 30 -8.280 7.234 0.956 163 HB2 MET 30 1HB MET 30 -7.857 5.229 3.116 164 HB3 MET 30 2HB MET 30 -7.002 6.760 3.246 165 HG2 MET 30 1HG MET 30 -8.939 7.980 3.482 166 HG3 MET 30 2HG MET 30 -9.931 6.752 2.700 167 HE1 MET 30 1HE MET 30 -7.761 6.192 6.547 168 HE2 MET 30 2HE MET 30 -7.603 7.535 5.415 169 HE3 MET 30 3HE MET 30 -8.745 7.641 6.755 170 H TRP 31 H TRP 31 -6.011 8.002 2.055 171 HA TRP 31 HA TRP 31 -3.977 7.038 0.173 172 HB2 TRP 31 1HB TRP 31 -4.260 9.627 1.701 173 HB3 TRP 31 2HB TRP 31 -2.800 9.194 0.816 174 HD1 TRP 31 HD TRP 31 -6.324 10.480 0.314 175 HE1 TRP 31 1HE TRP 31 -6.654 11.105 -2.161 176 HE3 TRP 31 3HE TRP 31 -2.015 8.507 -1.601 177 HZ2 TRP 31 2HZ TRP 31 -5.270 10.802 -4.602 178 HZ3 TRP 31 3HZ TRP 31 -1.593 8.716 -4.017 179 HH2 TRP 31 HH TRP 31 -3.189 9.840 -5.484 180 H PHE 32 H PHE 32 -3.296 5.213 1.330 181 HA PHE 32 HA PHE 32 -2.118 5.686 3.972 182 HB2 PHE 32 1HB PHE 32 -2.660 3.084 2.527 183 HB3 PHE 32 2HB PHE 32 -2.036 3.235 4.166 184 HD1 PHE 32 1HD PHE 32 -3.682 5.268 5.366 185 HD2 PHE 32 2HD PHE 32 -4.769 2.179 2.647 186 HE1 PHE 32 1HE PHE 32 -5.983 5.316 6.237 187 HE2 PHE 32 2HE PHE 32 -7.072 2.222 3.513 188 HZ PHE 32 HZ PHE 32 -7.682 3.792 5.309 189 H HIS 33 H HIS 33 -0.085 4.242 4.346 190 HA HIS 33 HA HIS 33 1.805 4.914 2.205 191 HB2 HIS 33 1HB HIS 33 2.153 4.412 5.157 192 HB3 HIS 33 2HB HIS 33 3.522 4.466 4.051 193 HD2 HIS 33 2HD HIS 33 3.018 7.109 2.379 194 HE1 HIS 33 1HE HIS 33 2.303 9.034 6.092 195 HE2 HIS 33 2HE HIS 33 2.761 9.355 3.636 196 H GLY 34 H GLY 34 2.885 3.392 1.096 197 HA2 GLY 34 1HA GLY 34 2.096 0.809 0.829 198 HA3 GLY 34 2HA GLY 34 3.745 1.328 0.516 199 H LYS 35 H LYS 35 4.823 1.824 2.890 200 HA LYS 35 HA LYS 35 5.343 -0.725 3.949 201 HB2 LYS 35 1HB LYS 35 5.839 1.864 5.411 202 HB3 LYS 35 2HB LYS 35 6.749 0.364 5.525 203 HG2 LYS 35 1HG LYS 35 6.644 2.206 3.145 204 HG3 LYS 35 2HG LYS 35 7.989 2.022 4.273 205 HD2 LYS 35 1HD LYS 35 6.951 -0.385 2.849 206 HD3 LYS 35 2HD LYS 35 7.978 0.753 1.973 207 HE2 LYS 35 1HE LYS 35 8.753 -0.392 4.643 208 HE3 LYS 35 2HE LYS 35 9.130 -1.206 3.125 209 HZ1 LYS 35 1HZ LYS 35 10.282 0.853 2.426 210 HZ2 LYS 35 2HZ LYS 35 10.994 0.111 3.769 211 HZ3 LYS 35 3HZ LYS 35 10.036 1.490 3.974 212 H CYS 36 H CYS 36 3.194 1.862 5.001 213 HA CYS 36 HA CYS 36 2.517 0.829 7.519 214 HB2 CYS 36 1HB CYS 36 1.202 2.713 5.600 215 HB3 CYS 36 2HB CYS 36 0.296 2.142 6.998 216 H VAL 37 H VAL 37 1.001 0.371 4.342 217 HA VAL 37 HA VAL 37 -0.990 -1.431 5.374 218 HB VAL 37 HB VAL 37 -1.675 -1.742 3.070 219 HG11 VAL 37 1HG1 VAL 37 -1.763 0.623 4.456 220 HG12 VAL 37 2HG1 VAL 37 -1.151 1.121 2.878 221 HG13 VAL 37 3HG1 VAL 37 -2.682 0.253 2.997 222 HG21 VAL 37 1HG2 VAL 37 0.700 -0.070 2.264 223 HG22 VAL 37 2HG2 VAL 37 0.637 -1.828 2.134 224 HG23 VAL 37 3HG2 VAL 37 -0.482 -0.835 1.201 225 H LYS 38 H LYS 38 2.122 -1.899 5.309 226 HA LYS 38 HA LYS 38 3.494 -3.712 5.265 227 HB2 LYS 38 1HB LYS 38 0.786 -4.959 5.421 228 HB3 LYS 38 2HB LYS 38 2.164 -5.996 5.075 229 HG2 LYS 38 1HG LYS 38 2.020 -4.150 7.446 230 HG3 LYS 38 2HG LYS 38 1.531 -5.846 7.484 231 HD2 LYS 38 1HD LYS 38 3.794 -6.505 6.804 232 HD3 LYS 38 2HD LYS 38 4.278 -4.807 6.783 233 HE2 LYS 38 1HE LYS 38 3.349 -4.882 9.255 234 HE3 LYS 38 2HE LYS 38 3.705 -6.600 9.089 235 HZ1 LYS 38 1HZ LYS 38 5.567 -5.349 10.027 236 HZ2 LYS 38 2HZ LYS 38 5.651 -4.405 8.626 237 HZ3 LYS 38 3HZ LYS 38 5.980 -6.062 8.549 238 H ILE 39 H ILE 39 3.238 -2.395 2.888 239 HA ILE 39 HA ILE 39 3.613 -4.584 0.979 240 HB ILE 39 HB ILE 39 1.890 -2.156 0.485 241 HG12 ILE 39 1HG1 ILE 39 1.273 -5.107 0.230 242 HG13 ILE 39 2HG1 ILE 39 0.835 -4.115 1.616 243 HG21 ILE 39 1HG2 ILE 39 3.360 -3.913 -1.375 244 HG22 ILE 39 2HG2 ILE 39 1.687 -3.553 -1.797 245 HG23 ILE 39 3HG2 ILE 39 2.839 -2.239 -1.565 246 HD11 ILE 39 1HD1 ILE 39 -1.092 -4.284 0.281 247 HD12 ILE 39 2HD1 ILE 39 -0.452 -2.664 0.004 248 HD13 ILE 39 3HD1 ILE 39 -0.194 -3.931 -1.195 249 H THR 40 H THR 40 5.100 -4.171 -0.655 250 HA THR 40 HA THR 40 6.845 -1.872 -0.145 251 HB THR 40 HB THR 40 8.437 -3.144 -1.685 252 HG1 THR 40 1HG THR 40 7.656 -4.895 -2.560 253 HG21 THR 40 1HG2 THR 40 9.118 -4.700 0.102 254 HG22 THR 40 2HG2 THR 40 7.580 -4.414 0.919 255 HG23 THR 40 3HG2 THR 40 8.737 -3.097 0.730 256 HA PRO 41 HA PRO 41 5.810 0.204 -3.874 257 HB2 PRO 41 1HB PRO 41 8.201 1.292 -4.559 258 HB3 PRO 41 2HB PRO 41 7.233 1.877 -3.200 259 HG2 PRO 41 1HG PRO 41 9.598 0.040 -3.190 260 HG3 PRO 41 2HG PRO 41 9.223 1.388 -2.100 261 HD2 PRO 41 1HD PRO 41 8.783 -1.197 -1.425 262 HD3 PRO 41 2HD PRO 41 7.756 0.130 -0.844 263 H ALA 42 H ALA 42 7.904 -2.445 -3.842 264 HA ALA 42 HA ALA 42 8.324 -2.426 -6.736 265 HB1 ALA 42 1HB ALA 42 10.280 -2.991 -5.518 266 HB2 ALA 42 2HB ALA 42 9.411 -4.177 -4.543 267 HB3 ALA 42 3HB ALA 42 9.692 -4.481 -6.257 268 H ARG 43 H ARG 43 6.802 -4.384 -4.205 269 HA ARG 43 HA ARG 43 5.806 -6.363 -5.999 270 HB2 ARG 43 1HB ARG 43 6.151 -6.895 -3.656 271 HB3 ARG 43 2HB ARG 43 5.003 -5.654 -3.173 272 HG2 ARG 43 1HG ARG 43 3.218 -6.913 -4.339 273 HG3 ARG 43 2HG ARG 43 4.391 -8.189 -4.674 274 HD2 ARG 43 1HD ARG 43 3.802 -7.210 -1.892 275 HD3 ARG 43 2HD ARG 43 2.895 -8.518 -2.651 276 HE ARG 43 HE ARG 43 5.482 -9.288 -2.925 277 HH11 ARG 43 2HH1 ARG 43 3.529 -8.294 -0.220 278 HH12 ARG 43 1HH1 ARG 43 4.390 -9.267 0.926 279 HH21 ARG 43 2HH2 ARG 43 6.623 -10.573 -1.425 280 HH22 ARG 43 1HH2 ARG 43 6.150 -10.562 0.240 281 H ALA 44 H ALA 44 4.466 -3.439 -4.543 282 HA ALA 44 HA ALA 44 1.821 -3.570 -5.034 283 HB1 ALA 44 1HB ALA 44 2.521 -1.567 -4.118 284 HB2 ALA 44 2HB ALA 44 3.746 -1.306 -5.360 285 HB3 ALA 44 3HB ALA 44 2.039 -1.083 -5.744 286 H GLU 45 H GLU 45 4.328 -3.069 -7.469 287 HA GLU 45 HA GLU 45 2.866 -2.371 -9.674 288 HB2 GLU 45 1HB GLU 45 5.130 -4.374 -9.622 289 HB3 GLU 45 2HB GLU 45 4.577 -3.480 -11.031 290 HG2 GLU 45 1HG GLU 45 5.185 -1.376 -9.858 291 HG3 GLU 45 2HG GLU 45 5.878 -2.353 -8.565 292 H HIS 46 H HIS 46 3.326 -5.631 -8.361 293 HA HIS 46 HA HIS 46 1.735 -6.878 -10.397 294 HB2 HIS 46 1HB HIS 46 2.701 -7.935 -7.731 295 HB3 HIS 46 2HB HIS 46 1.954 -8.906 -8.996 296 HD1 HIS 46 1HD HIS 46 3.744 -10.275 -10.005 297 HD2 HIS 46 2HD HIS 46 5.008 -6.388 -9.264 298 HE1 HIS 46 1HE HIS 46 6.083 -10.144 -10.917 299 HE2 HIS 46 2HE HIS 46 6.859 -7.808 -10.381 300 H ILE 47 H ILE 47 1.216 -5.786 -7.087 301 HA ILE 47 HA ILE 47 -1.357 -6.916 -6.760 302 HB ILE 47 HB ILE 47 -0.105 -4.529 -5.398 303 HG12 ILE 47 1HG1 ILE 47 -0.456 -7.361 -4.399 304 HG13 ILE 47 2HG1 ILE 47 1.030 -6.757 -5.124 305 HG21 ILE 47 1HG2 ILE 47 -1.997 -4.179 -4.287 306 HG22 ILE 47 2HG2 ILE 47 -2.787 -5.288 -5.407 307 HG23 ILE 47 3HG2 ILE 47 -2.142 -5.889 -3.880 308 HD11 ILE 47 1HD1 ILE 47 1.334 -6.657 -2.795 309 HD12 ILE 47 2HD1 ILE 47 1.039 -4.997 -3.316 310 HD13 ILE 47 3HD1 ILE 47 -0.248 -5.921 -2.542 311 H LYS 48 H LYS 48 -3.181 -6.388 -7.745 312 HA LYS 48 HA LYS 48 -3.387 -3.820 -9.120 313 HB2 LYS 48 1HB LYS 48 -4.989 -4.780 -10.483 314 HB3 LYS 48 2HB LYS 48 -3.978 -6.169 -10.106 315 HG2 LYS 48 1HG LYS 48 -6.388 -5.545 -8.448 316 HG3 LYS 48 2HG LYS 48 -6.540 -6.408 -9.980 317 HD2 LYS 48 1HD LYS 48 -4.932 -8.089 -9.161 318 HD3 LYS 48 2HD LYS 48 -4.860 -7.240 -7.614 319 HE2 LYS 48 1HE LYS 48 -6.374 -9.121 -7.455 320 HE3 LYS 48 2HE LYS 48 -7.276 -7.612 -7.325 321 HZ1 LYS 48 1HZ LYS 48 -7.454 -9.683 -9.305 322 HZ2 LYS 48 2HZ LYS 48 -7.316 -8.140 -9.984 323 HZ3 LYS 48 3HZ LYS 48 -8.570 -8.477 -8.900 324 H GLN 49 H GLN 49 -4.912 -5.672 -6.550 325 HA GLN 49 HA GLN 49 -6.082 -3.253 -5.485 326 HB2 GLN 49 1HB GLN 49 -7.786 -5.545 -6.456 327 HB3 GLN 49 2HB GLN 49 -8.360 -4.345 -5.305 328 HG2 GLN 49 1HG GLN 49 -8.029 -2.583 -6.933 329 HG3 GLN 49 2HG GLN 49 -7.371 -3.745 -8.083 330 HE21 GLN 49 1HE2 GLN 49 -9.284 -2.440 -9.144 331 HE22 GLN 49 2HE2 GLN 49 -10.791 -3.285 -9.150 332 H TYR 50 H TYR 50 -5.180 -3.405 -3.523 333 HA TYR 50 HA TYR 50 -5.401 -5.964 -2.084 334 HB2 TYR 50 1HB TYR 50 -3.117 -5.417 -2.193 335 HB3 TYR 50 2HB TYR 50 -3.420 -3.707 -1.906 336 HD1 TYR 50 1HD TYR 50 -3.344 -7.040 -0.303 337 HD2 TYR 50 2HD TYR 50 -3.497 -2.830 0.298 338 HE1 TYR 50 1HE TYR 50 -2.903 -7.372 2.094 339 HE2 TYR 50 2HE TYR 50 -3.055 -3.151 2.696 340 HH TYR 50 HH TYR 50 -2.390 -4.641 4.263 341 H LYS 51 H LYS 51 -6.491 -6.079 -0.204 342 HA LYS 51 HA LYS 51 -8.103 -3.802 0.561 343 HB2 LYS 51 1HB LYS 51 -9.085 -6.057 0.460 344 HB3 LYS 51 2HB LYS 51 -7.979 -6.593 1.718 345 HG2 LYS 51 1HG LYS 51 -8.996 -5.018 3.286 346 HG3 LYS 51 2HG LYS 51 -10.107 -4.484 2.023 347 HD2 LYS 51 1HD LYS 51 -9.916 -7.356 2.899 348 HD3 LYS 51 2HD LYS 51 -10.994 -6.197 3.680 349 HE2 LYS 51 1HE LYS 51 -11.895 -5.721 1.341 350 HE3 LYS 51 2HE LYS 51 -11.040 -7.179 0.839 351 HZ1 LYS 51 1HZ LYS 51 -13.527 -7.246 1.646 352 HZ2 LYS 51 2HZ LYS 51 -12.799 -7.365 3.168 353 HZ3 LYS 51 3HZ LYS 51 -12.460 -8.517 1.976 354 H CYS 52 H CYS 52 -7.066 -2.282 1.709 355 HA CYS 52 HA CYS 52 -4.853 -2.549 3.321 356 HB2 CYS 52 1HB CYS 52 -5.213 -0.372 3.967 357 HB3 CYS 52 2HB CYS 52 -6.257 -0.441 2.550 358 HA PRO 53 HA PRO 53 -6.049 -4.566 7.030 359 HB2 PRO 53 1HB PRO 53 -4.522 -3.274 8.865 360 HB3 PRO 53 2HB PRO 53 -3.853 -4.411 7.688 361 HG2 PRO 53 1HG PRO 53 -3.906 -1.418 7.613 362 HG3 PRO 53 2HG PRO 53 -2.584 -2.525 7.196 363 HD2 PRO 53 1HD PRO 53 -4.154 -1.358 5.323 364 HD3 PRO 53 2HD PRO 53 -3.451 -2.974 5.109 365 H SER 54 H SER 54 -6.488 -1.156 6.695 366 HA SER 54 HA SER 54 -7.713 -0.590 9.171 367 HB2 SER 54 1HB SER 54 -6.872 1.002 7.254 368 HB3 SER 54 2HB SER 54 -8.528 0.844 6.669 369 HG SER 54 HG SER 54 -7.624 2.401 8.612 370 H CYS 55 H CYS 55 -9.013 -1.668 6.065 371 HA CYS 55 HA CYS 55 -11.713 -1.759 7.161 372 HB2 CYS 55 1HB CYS 55 -12.229 -2.604 4.784 373 HB3 CYS 55 2HB CYS 55 -11.721 -0.928 4.966 374 H SER 56 H SER 56 -9.492 -4.010 5.509 375 HA SER 56 HA SER 56 -10.809 -6.355 5.673 376 HB2 SER 56 1HB SER 56 -8.781 -7.423 5.414 377 HB3 SER 56 2HB SER 56 -8.310 -5.774 5.004 378 HG SER 56 HG SER 56 -6.897 -6.790 6.530 379 H ASN 57 H ASN 57 -9.489 -4.563 8.351 380 HA ASN 57 HA ASN 57 -9.448 -6.549 10.314 381 HB2 ASN 57 1HB ASN 57 -8.423 -4.463 10.816 382 HB3 ASN 57 2HB ASN 57 -9.904 -3.571 10.477 383 HD21 ASN 57 1HD2 ASN 57 -7.988 -4.878 12.855 384 HD22 ASN 57 2HD2 ASN 57 -9.119 -4.848 14.161 385 H LYS 58 H LYS 58 -12.009 -4.131 9.736 386 HA LYS 58 HA LYS 58 -13.878 -5.333 11.474 387 HB2 LYS 58 1HB LYS 58 -15.486 -3.812 10.555 388 HB3 LYS 58 2HB LYS 58 -13.949 -2.964 10.667 389 HG2 LYS 58 1HG LYS 58 -13.584 -3.148 8.325 390 HG3 LYS 58 2HG LYS 58 -14.945 -4.256 8.141 391 HD2 LYS 58 1HD LYS 58 -15.480 -1.581 9.319 392 HD3 LYS 58 2HD LYS 58 -15.149 -1.668 7.587 393 HE2 LYS 58 1HE LYS 58 -17.204 -3.382 8.968 394 HE3 LYS 58 2HE LYS 58 -17.578 -1.815 8.253 395 HZ1 LYS 58 1HZ LYS 58 -16.160 -3.665 6.530 396 HZ2 LYS 58 2HZ LYS 58 -17.455 -2.635 6.181 397 HZ3 LYS 58 3HZ LYS 58 -17.737 -4.124 6.934 398 H SER 59 H SER 59 -15.376 -6.888 11.188 399 HA SER 59 HA SER 59 -16.206 -7.760 8.578 400 HB2 SER 59 1HB SER 59 -15.399 -10.074 8.796 401 HB3 SER 59 2HB SER 59 -14.053 -8.935 8.762 402 HG SER 59 HG SER 59 -14.533 -10.744 10.583 403 H GLY 60 H GLY 60 -18.166 -8.743 8.642 404 HA2 GLY 60 1HA GLY 60 -19.243 -10.330 10.622 405 HA3 GLY 60 2HA GLY 60 -19.614 -8.680 11.102 406 HA PRO 61 HA PRO 61 -23.188 -9.874 8.560 407 HB2 PRO 61 1HB PRO 61 -24.891 -8.144 9.776 408 HB3 PRO 61 2HB PRO 61 -24.497 -9.733 10.443 409 HG2 PRO 61 1HG PRO 61 -23.392 -7.048 11.170 410 HG3 PRO 61 2HG PRO 61 -23.884 -8.380 12.232 411 HD2 PRO 61 1HD PRO 61 -21.294 -7.894 11.608 412 HD3 PRO 61 2HD PRO 61 -21.913 -9.530 11.911 413 H SER 62 H SER 62 -21.178 -7.277 8.618 414 HA SER 62 HA SER 62 -22.434 -5.103 7.559 415 HB2 SER 62 1HB SER 62 -20.310 -4.654 6.306 416 HB3 SER 62 2HB SER 62 -20.060 -5.060 8.004 417 HG SER 62 HG SER 62 -20.060 -7.232 6.326 418 H SER 63 H SER 63 -23.438 -4.561 5.717 419 HA SER 63 HA SER 63 -23.566 -6.599 3.598 420 HB2 SER 63 1HB SER 63 -25.709 -6.002 4.765 421 HB3 SER 63 2HB SER 63 -25.542 -4.368 4.124 422 HG SER 63 HG SER 63 -25.615 -5.261 2.026 423 H GLY 64 H GLY 64 -23.496 -5.950 1.407 424 HA2 GLY 64 1HA GLY 64 -22.992 -4.560 -0.383 425 HA3 GLY 64 2HA GLY 64 -22.916 -3.203 0.731 Start of MODEL 15 1 H1 GLY 1 H GLY 1 2.595 32.280 4.890 2 HA2 GLY 1 1HA GLY 1 1.305 30.595 6.638 3 HA3 GLY 1 2HA GLY 1 0.559 31.255 5.191 4 H SER 2 H SER 2 0.567 28.546 6.657 5 HA SER 2 HA SER 2 1.390 26.831 4.425 6 HB2 SER 2 1HB SER 2 2.021 26.426 6.929 7 HB3 SER 2 2HB SER 2 0.383 25.786 7.053 8 HG SER 2 HG SER 2 1.228 24.617 4.974 9 H SER 3 H SER 3 -0.024 25.328 3.494 10 HA SER 3 HA SER 3 -2.633 26.211 3.028 11 HB2 SER 3 1HB SER 3 -2.978 24.012 1.934 12 HB3 SER 3 2HB SER 3 -1.461 24.768 1.449 13 HG SER 3 HG SER 3 -0.436 23.426 3.051 14 H GLY 4 H GLY 4 -1.451 23.584 5.113 15 HA2 GLY 4 1HA GLY 4 -2.629 23.495 7.324 16 HA3 GLY 4 2HA GLY 4 -4.116 23.541 6.389 17 H SER 5 H SER 5 -3.238 21.527 8.288 18 HA SER 5 HA SER 5 -2.356 19.218 6.867 19 HB2 SER 5 1HB SER 5 -2.972 18.000 8.946 20 HB3 SER 5 2HB SER 5 -1.958 19.408 9.260 21 HG SER 5 HG SER 5 -4.295 20.389 9.431 22 H SER 6 H SER 6 -3.676 18.783 5.140 23 HA SER 6 HA SER 6 -6.544 18.548 5.523 24 HB2 SER 6 1HB SER 6 -5.352 19.488 3.428 25 HB3 SER 6 2HB SER 6 -5.067 17.799 3.009 26 HG SER 6 HG SER 6 -7.656 18.415 3.749 27 H GLY 7 H GLY 7 -6.748 16.790 6.922 28 HA2 GLY 7 1HA GLY 7 -7.072 14.575 7.432 29 HA3 GLY 7 2HA GLY 7 -6.966 14.257 5.706 30 H GLN 8 H GLN 8 -5.999 12.316 7.162 31 HA GLN 8 HA GLN 8 -3.205 12.307 6.524 32 HB2 GLN 8 1HB GLN 8 -2.290 12.033 8.696 33 HB3 GLN 8 2HB GLN 8 -3.317 13.459 8.772 34 HG2 GLN 8 1HG GLN 8 -5.116 12.014 9.726 35 HG3 GLN 8 2HG GLN 8 -3.935 10.707 9.812 36 HE21 GLN 8 1HE2 GLN 8 -4.723 10.980 12.123 37 HE22 GLN 8 2HE2 GLN 8 -3.789 12.030 13.128 38 H CYS 9 H CYS 9 -2.189 10.171 7.179 39 HA CYS 9 HA CYS 9 -3.671 8.055 6.152 40 HB2 CYS 9 1HB CYS 9 -1.262 7.962 6.188 41 HB3 CYS 9 2HB CYS 9 -1.239 8.032 7.947 42 H GLY 10 H GLY 10 -4.554 6.171 7.134 43 HA2 GLY 10 1HA GLY 10 -5.750 6.746 9.751 44 HA3 GLY 10 2HA GLY 10 -6.341 5.572 8.584 45 H ALA 11 H ALA 11 -3.714 4.398 8.121 46 HA ALA 11 HA ALA 11 -3.773 2.409 10.128 47 HB1 ALA 11 1HB ALA 11 -2.714 1.330 8.506 48 HB2 ALA 11 2HB ALA 11 -2.435 2.839 7.637 49 HB3 ALA 11 3HB ALA 11 -1.273 2.289 8.844 50 H CYS 12 H CYS 12 -1.293 4.870 9.396 51 HA CYS 12 HA CYS 12 -0.340 4.597 12.170 52 HB2 CYS 12 1HB CYS 12 1.838 5.277 11.428 53 HB3 CYS 12 2HB CYS 12 1.286 3.995 10.355 54 H GLY 13 H GLY 13 -0.889 6.946 9.559 55 HA2 GLY 13 1HA GLY 13 -1.752 9.092 9.718 56 HA3 GLY 13 2HA GLY 13 -1.853 8.888 11.460 57 H GLU 14 H GLU 14 0.925 8.693 9.250 58 HA GLU 14 HA GLU 14 2.519 10.281 11.038 59 HB2 GLU 14 1HB GLU 14 2.990 8.876 8.441 60 HB3 GLU 14 2HB GLU 14 4.141 10.095 8.972 61 HG2 GLU 14 1HG GLU 14 3.322 7.882 10.805 62 HG3 GLU 14 2HG GLU 14 4.551 7.621 9.568 63 H SER 15 H SER 15 3.861 12.115 10.092 64 HA SER 15 HA SER 15 2.175 14.235 9.401 65 HB2 SER 15 1HB SER 15 5.139 14.187 8.832 66 HB3 SER 15 2HB SER 15 4.132 15.574 9.247 67 HG SER 15 HG SER 15 5.521 14.115 10.894 68 H TYR 16 H TYR 16 2.214 15.560 7.456 69 HA TYR 16 HA TYR 16 1.546 14.187 5.156 70 HB2 TYR 16 1HB TYR 16 0.890 16.483 5.427 71 HB3 TYR 16 2HB TYR 16 2.568 17.012 5.487 72 HD1 TYR 16 1HD TYR 16 0.181 15.259 3.211 73 HD2 TYR 16 2HD TYR 16 3.548 17.838 3.558 74 HE1 TYR 16 1HE TYR 16 0.146 15.623 0.779 75 HE2 TYR 16 2HE TYR 16 3.521 18.210 1.127 76 HH TYR 16 HH TYR 16 1.614 18.065 -0.736 77 H ALA 17 H ALA 17 2.754 12.897 3.948 78 HA ALA 17 HA ALA 17 5.634 13.361 3.754 79 HB1 ALA 17 1HB ALA 17 4.745 11.030 2.333 80 HB2 ALA 17 2HB ALA 17 5.813 11.148 3.732 81 HB3 ALA 17 3HB ALA 17 4.068 11.048 3.962 82 H ALA 18 H ALA 18 6.721 13.407 1.737 83 HA ALA 18 HA ALA 18 5.008 14.241 -0.513 84 HB1 ALA 18 1HB ALA 18 7.272 15.414 -1.197 85 HB2 ALA 18 2HB ALA 18 6.141 16.176 -0.078 86 HB3 ALA 18 3HB ALA 18 7.563 15.337 0.541 87 H ASP 19 H ASP 19 8.099 12.694 0.317 88 HA ASP 19 HA ASP 19 8.088 11.376 -2.309 89 HB2 ASP 19 1HB ASP 19 10.282 11.937 -0.321 90 HB3 ASP 19 2HB ASP 19 10.490 10.777 -1.631 91 H GLU 20 H GLU 20 6.265 10.114 -1.152 92 HA GLU 20 HA GLU 20 7.469 7.647 -0.142 93 HB2 GLU 20 1HB GLU 20 5.397 9.304 1.255 94 HB3 GLU 20 2HB GLU 20 5.409 7.558 1.461 95 HG2 GLU 20 1HG GLU 20 7.823 9.270 1.965 96 HG3 GLU 20 2HG GLU 20 6.627 8.905 3.208 97 H PHE 21 H PHE 21 6.287 5.772 -0.580 98 HA PHE 21 HA PHE 21 4.516 5.993 -2.847 99 HB2 PHE 21 1HB PHE 21 5.900 4.175 -3.140 100 HB3 PHE 21 2HB PHE 21 5.907 3.770 -1.426 101 HD1 PHE 21 1HD PHE 21 3.236 4.130 -4.010 102 HD2 PHE 21 2HD PHE 21 5.063 1.677 -1.050 103 HE1 PHE 21 1HE PHE 21 1.551 2.384 -4.421 104 HE2 PHE 21 2HE PHE 21 3.383 -0.073 -1.457 105 HZ PHE 21 HZ PHE 21 1.624 0.279 -3.145 106 H TRP 22 H TRP 22 2.397 6.229 -2.686 107 HA TRP 22 HA TRP 22 1.060 5.511 -0.184 108 HB2 TRP 22 1HB TRP 22 0.136 7.178 -2.533 109 HB3 TRP 22 2HB TRP 22 -0.840 6.840 -1.106 110 HD1 TRP 22 HD TRP 22 2.053 8.989 -2.314 111 HE1 TRP 22 1HE TRP 22 2.608 10.738 -0.509 112 HE3 TRP 22 3HE TRP 22 -0.895 7.216 1.469 113 HZ2 TRP 22 2HZ TRP 22 1.891 11.293 2.164 114 HZ3 TRP 22 3HZ TRP 22 -0.902 8.414 3.618 115 HH2 TRP 22 HH TRP 22 0.463 10.410 3.957 116 H ILE 23 H ILE 23 -0.762 4.187 -0.112 117 HA ILE 23 HA ILE 23 -1.010 2.362 -2.400 118 HB ILE 23 HB ILE 23 -1.752 0.684 -0.939 119 HG12 ILE 23 1HG1 ILE 23 -2.053 1.434 1.598 120 HG13 ILE 23 2HG1 ILE 23 -2.449 2.973 0.841 121 HG21 ILE 23 1HG2 ILE 23 -0.067 1.275 1.164 122 HG22 ILE 23 2HG2 ILE 23 0.388 0.485 -0.345 123 HG23 ILE 23 3HG2 ILE 23 0.585 2.228 -0.169 124 HD11 ILE 23 1HD1 ILE 23 -4.516 2.216 0.626 125 HD12 ILE 23 2HD1 ILE 23 -3.906 1.087 -0.584 126 HD13 ILE 23 3HD1 ILE 23 -4.036 0.587 1.102 127 H CYS 24 H CYS 24 -3.146 1.544 -2.944 128 HA CYS 24 HA CYS 24 -5.280 3.494 -2.371 129 HB2 CYS 24 1HB CYS 24 -6.117 3.197 -4.626 130 HB3 CYS 24 2HB CYS 24 -4.421 3.662 -4.694 131 HG CYS 24 HG CYS 24 -5.382 0.395 -4.927 132 H CYS 25 H CYS 25 -7.227 2.718 -1.761 133 HA CYS 25 HA CYS 25 -7.488 -0.208 -1.572 134 HB2 CYS 25 1HB CYS 25 -7.452 0.863 0.605 135 HB3 CYS 25 2HB CYS 25 -8.725 1.976 0.115 136 H ASP 26 H ASP 26 -9.695 -1.074 -1.740 137 HA ASP 26 HA ASP 26 -11.109 0.221 -3.938 138 HB2 ASP 26 1HB ASP 26 -12.380 -1.962 -4.003 139 HB3 ASP 26 2HB ASP 26 -10.652 -2.091 -4.316 140 H LEU 27 H LEU 27 -11.655 -0.871 -0.628 141 HA LEU 27 HA LEU 27 -14.430 -0.158 -0.614 142 HB2 LEU 27 1HB LEU 27 -12.450 -0.996 1.467 143 HB3 LEU 27 2HB LEU 27 -14.030 -0.373 1.940 144 HG LEU 27 HG LEU 27 -13.965 -2.598 -0.025 145 HD11 LEU 27 1HD1 LEU 27 -14.007 -3.634 2.657 146 HD12 LEU 27 2HD1 LEU 27 -12.487 -2.799 2.336 147 HD13 LEU 27 3HD1 LEU 27 -13.010 -4.113 1.283 148 HD21 LEU 27 1HD2 LEU 27 -16.027 -1.412 0.863 149 HD22 LEU 27 2HD2 LEU 27 -15.692 -2.204 2.403 150 HD23 LEU 27 3HD2 LEU 27 -16.021 -3.173 0.966 151 H CYS 28 H CYS 28 -11.924 1.069 1.586 152 HA CYS 28 HA CYS 28 -13.287 3.596 1.804 153 HB2 CYS 28 1HB CYS 28 -11.706 4.129 3.501 154 HB3 CYS 28 2HB CYS 28 -12.084 2.421 3.699 155 H GLU 29 H GLU 29 -10.632 2.302 -0.001 156 HA GLU 29 HA GLU 29 -9.123 3.224 -1.446 157 HB2 GLU 29 1HB GLU 29 -10.056 4.751 -3.062 158 HB3 GLU 29 2HB GLU 29 -11.274 3.554 -2.644 159 HG2 GLU 29 1HG GLU 29 -12.537 5.079 -1.428 160 HG3 GLU 29 2HG GLU 29 -11.191 6.205 -1.261 161 H MET 30 H MET 30 -8.745 4.095 1.179 162 HA MET 30 HA MET 30 -8.351 6.962 1.144 163 HB2 MET 30 1HB MET 30 -8.095 4.789 3.157 164 HB3 MET 30 2HB MET 30 -7.117 6.230 3.400 165 HG2 MET 30 1HG MET 30 -9.308 7.525 3.083 166 HG3 MET 30 2HG MET 30 -10.096 5.971 3.345 167 HE1 MET 30 1HE MET 30 -10.534 5.221 6.351 168 HE2 MET 30 2HE MET 30 -9.562 4.464 5.089 169 HE3 MET 30 3HE MET 30 -8.845 4.817 6.662 170 H TRP 31 H TRP 31 -6.110 7.679 2.100 171 HA TRP 31 HA TRP 31 -4.062 6.488 0.357 172 HB2 TRP 31 1HB TRP 31 -3.034 8.592 0.201 173 HB3 TRP 31 2HB TRP 31 -4.755 8.961 0.146 174 HD1 TRP 31 HD TRP 31 -5.437 8.960 3.217 175 HE1 TRP 31 1HE TRP 31 -4.512 10.812 4.747 176 HE3 TRP 31 3HE TRP 31 -1.479 10.473 0.357 177 HZ2 TRP 31 2HZ TRP 31 -2.386 12.669 4.741 178 HZ3 TRP 31 3HZ TRP 31 -0.049 12.294 1.191 179 HH2 TRP 31 HH TRP 31 -0.495 13.368 3.338 180 H PHE 32 H PHE 32 -2.781 5.117 1.402 181 HA PHE 32 HA PHE 32 -1.871 5.848 4.108 182 HB2 PHE 32 1HB PHE 32 -2.183 3.028 3.068 183 HB3 PHE 32 2HB PHE 32 -1.820 3.524 4.718 184 HD1 PHE 32 1HD PHE 32 -3.712 5.476 5.436 185 HD2 PHE 32 2HD PHE 32 -4.263 2.090 2.917 186 HE1 PHE 32 1HE PHE 32 -6.114 5.477 5.966 187 HE2 PHE 32 2HE PHE 32 -6.666 2.086 3.442 188 HZ PHE 32 HZ PHE 32 -7.595 3.781 4.967 189 H HIS 33 H HIS 33 0.206 4.539 4.661 190 HA HIS 33 HA HIS 33 2.115 5.118 2.537 191 HB2 HIS 33 1HB HIS 33 2.574 4.332 5.423 192 HB3 HIS 33 2HB HIS 33 3.823 4.830 4.286 193 HD2 HIS 33 2HD HIS 33 3.376 7.617 3.356 194 HE1 HIS 33 1HE HIS 33 1.508 8.643 7.024 195 HE2 HIS 33 2HE HIS 33 2.494 9.514 4.876 196 H GLY 34 H GLY 34 2.935 3.599 1.260 197 HA2 GLY 34 1HA GLY 34 2.210 1.046 0.962 198 HA3 GLY 34 2HA GLY 34 3.868 1.550 0.668 199 H LYS 35 H LYS 35 4.619 2.117 3.323 200 HA LYS 35 HA LYS 35 5.363 -0.460 4.205 201 HB2 LYS 35 1HB LYS 35 5.416 2.034 5.897 202 HB3 LYS 35 2HB LYS 35 6.472 0.632 6.004 203 HG2 LYS 35 1HG LYS 35 6.399 2.620 3.743 204 HG3 LYS 35 2HG LYS 35 7.621 2.530 5.013 205 HD2 LYS 35 1HD LYS 35 7.072 0.108 3.363 206 HD3 LYS 35 2HD LYS 35 8.026 1.418 2.665 207 HE2 LYS 35 1HE LYS 35 9.717 1.193 4.256 208 HE3 LYS 35 2HE LYS 35 8.678 0.308 5.372 209 HZ1 LYS 35 1HZ LYS 35 10.411 -0.719 3.424 210 HZ2 LYS 35 2HZ LYS 35 8.833 -1.149 2.993 211 HZ3 LYS 35 3HZ LYS 35 9.438 -1.570 4.516 212 H CYS 36 H CYS 36 2.948 1.854 5.377 213 HA CYS 36 HA CYS 36 2.121 0.607 7.685 214 HB2 CYS 36 1HB CYS 36 0.757 2.326 5.664 215 HB3 CYS 36 2HB CYS 36 -0.237 1.531 6.881 216 H VAL 37 H VAL 37 0.772 0.095 4.424 217 HA VAL 37 HA VAL 37 -0.836 -2.120 5.270 218 HB VAL 37 HB VAL 37 -1.309 -0.559 3.301 219 HG11 VAL 37 1HG1 VAL 37 -0.158 -0.704 1.359 220 HG12 VAL 37 2HG1 VAL 37 1.135 -1.246 2.430 221 HG13 VAL 37 3HG1 VAL 37 0.164 -2.427 1.550 222 HG21 VAL 37 1HG2 VAL 37 -2.820 -2.069 2.628 223 HG22 VAL 37 2HG2 VAL 37 -1.586 -3.249 2.189 224 HG23 VAL 37 3HG2 VAL 37 -2.117 -3.111 3.865 225 H LYS 38 H LYS 38 2.353 -1.949 5.139 226 HA LYS 38 HA LYS 38 4.070 -3.423 4.904 227 HB2 LYS 38 1HB LYS 38 1.821 -5.431 5.126 228 HB3 LYS 38 2HB LYS 38 3.531 -5.815 5.268 229 HG2 LYS 38 1HG LYS 38 2.273 -3.781 7.063 230 HG3 LYS 38 2HG LYS 38 2.134 -5.506 7.409 231 HD2 LYS 38 1HD LYS 38 4.614 -5.664 7.306 232 HD3 LYS 38 2HD LYS 38 4.679 -3.910 7.120 233 HE2 LYS 38 1HE LYS 38 3.466 -5.383 9.457 234 HE3 LYS 38 2HE LYS 38 5.056 -4.621 9.445 235 HZ1 LYS 38 1HZ LYS 38 3.826 -2.959 10.352 236 HZ2 LYS 38 2HZ LYS 38 2.405 -3.389 9.543 237 HZ3 LYS 38 3HZ LYS 38 3.627 -2.556 8.721 238 H ILE 39 H ILE 39 3.430 -2.343 2.545 239 HA ILE 39 HA ILE 39 3.773 -4.591 0.682 240 HB ILE 39 HB ILE 39 1.860 -2.295 0.429 241 HG12 ILE 39 1HG1 ILE 39 1.660 -5.263 -0.126 242 HG13 ILE 39 2HG1 ILE 39 1.009 -4.425 1.279 243 HG21 ILE 39 1HG2 ILE 39 2.958 -3.921 -1.860 244 HG22 ILE 39 2HG2 ILE 39 1.652 -2.742 -1.958 245 HG23 ILE 39 3HG2 ILE 39 3.286 -2.215 -1.556 246 HD11 ILE 39 1HD1 ILE 39 0.148 -3.968 -1.568 247 HD12 ILE 39 2HD1 ILE 39 -0.710 -4.948 -0.379 248 HD13 ILE 39 3HD1 ILE 39 -0.537 -3.211 -0.130 249 H THR 40 H THR 40 5.555 -4.400 -0.495 250 HA THR 40 HA THR 40 7.135 -2.002 -0.383 251 HB THR 40 HB THR 40 8.715 -3.275 -1.857 252 HG1 THR 40 1HG THR 40 8.207 -5.315 -2.478 253 HG21 THR 40 1HG2 THR 40 9.509 -4.662 -0.131 254 HG22 THR 40 2HG2 THR 40 7.887 -4.953 0.497 255 HG23 THR 40 3HG2 THR 40 8.641 -3.372 0.699 256 HA PRO 41 HA PRO 41 5.884 -0.047 -4.111 257 HB2 PRO 41 1HB PRO 41 8.216 1.097 -4.901 258 HB3 PRO 41 2HB PRO 41 7.275 1.685 -3.525 259 HG2 PRO 41 1HG PRO 41 9.695 -0.077 -3.551 260 HG3 PRO 41 2HG PRO 41 9.314 1.285 -2.481 261 HD2 PRO 41 1HD PRO 41 8.978 -1.296 -1.731 262 HD3 PRO 41 2HD PRO 41 7.929 0.013 -1.148 263 H ALA 42 H ALA 42 8.136 -2.588 -4.092 264 HA ALA 42 HA ALA 42 8.436 -2.638 -6.996 265 HB1 ALA 42 1HB ALA 42 10.406 -3.528 -6.508 266 HB2 ALA 42 2HB ALA 42 9.988 -3.577 -4.795 267 HB3 ALA 42 3HB ALA 42 9.588 -4.940 -5.839 268 H ARG 43 H ARG 43 6.737 -4.263 -4.419 269 HA ARG 43 HA ARG 43 5.836 -6.416 -6.143 270 HB2 ARG 43 1HB ARG 43 6.299 -6.951 -3.827 271 HB3 ARG 43 2HB ARG 43 5.177 -5.713 -3.279 272 HG2 ARG 43 1HG ARG 43 3.426 -7.080 -4.629 273 HG3 ARG 43 2HG ARG 43 4.610 -8.381 -4.485 274 HD2 ARG 43 1HD ARG 43 4.614 -7.741 -1.967 275 HD3 ARG 43 2HD ARG 43 3.075 -6.967 -2.342 276 HE ARG 43 HE ARG 43 2.113 -9.043 -2.572 277 HH11 ARG 43 2HH1 ARG 43 5.575 -9.362 -2.407 278 HH12 ARG 43 1HH1 ARG 43 5.540 -11.086 -2.243 279 HH21 ARG 43 2HH2 ARG 43 2.052 -11.313 -2.356 280 HH22 ARG 43 1HH2 ARG 43 3.535 -12.195 -2.215 281 H ALA 44 H ALA 44 4.571 -3.465 -4.704 282 HA ALA 44 HA ALA 44 1.896 -3.621 -5.009 283 HB1 ALA 44 1HB ALA 44 3.420 -1.229 -6.012 284 HB2 ALA 44 2HB ALA 44 1.820 -1.270 -5.269 285 HB3 ALA 44 3HB ALA 44 3.252 -1.613 -4.299 286 H GLU 45 H GLU 45 4.231 -3.161 -7.623 287 HA GLU 45 HA GLU 45 2.624 -2.562 -9.748 288 HB2 GLU 45 1HB GLU 45 4.913 -4.538 -9.758 289 HB3 GLU 45 2HB GLU 45 4.248 -3.736 -11.174 290 HG2 GLU 45 1HG GLU 45 5.454 -2.253 -8.856 291 HG3 GLU 45 2HG GLU 45 6.376 -2.768 -10.268 292 H HIS 46 H HIS 46 3.218 -5.785 -8.389 293 HA HIS 46 HA HIS 46 1.562 -7.146 -10.265 294 HB2 HIS 46 1HB HIS 46 2.507 -8.019 -7.526 295 HB3 HIS 46 2HB HIS 46 1.788 -9.070 -8.743 296 HD1 HIS 46 1HD HIS 46 3.294 -9.908 -10.608 297 HD2 HIS 46 2HD HIS 46 5.146 -7.138 -8.127 298 HE1 HIS 46 1HE HIS 46 5.729 -9.967 -11.234 299 HE2 HIS 46 2HE HIS 46 6.843 -8.345 -9.662 300 H ILE 47 H ILE 47 1.030 -5.647 -7.149 301 HA ILE 47 HA ILE 47 -1.580 -6.775 -6.763 302 HB ILE 47 HB ILE 47 -0.289 -4.397 -5.420 303 HG12 ILE 47 1HG1 ILE 47 -0.569 -7.252 -4.459 304 HG13 ILE 47 2HG1 ILE 47 0.908 -6.562 -5.122 305 HG21 ILE 47 1HG2 ILE 47 -2.033 -4.328 -3.918 306 HG22 ILE 47 2HG2 ILE 47 -2.877 -4.725 -5.414 307 HG23 ILE 47 3HG2 ILE 47 -2.518 -5.992 -4.241 308 HD11 ILE 47 1HD1 ILE 47 -0.493 -5.769 -2.585 309 HD12 ILE 47 2HD1 ILE 47 1.075 -6.560 -2.749 310 HD13 ILE 47 3HD1 ILE 47 0.869 -4.892 -3.281 311 H LYS 48 H LYS 48 -3.537 -5.945 -7.272 312 HA LYS 48 HA LYS 48 -3.552 -3.473 -8.871 313 HB2 LYS 48 1HB LYS 48 -4.273 -5.652 -9.951 314 HB3 LYS 48 2HB LYS 48 -5.661 -5.632 -8.872 315 HG2 LYS 48 1HG LYS 48 -6.479 -3.610 -9.847 316 HG3 LYS 48 2HG LYS 48 -5.006 -3.419 -10.802 317 HD2 LYS 48 1HD LYS 48 -5.533 -5.472 -12.026 318 HD3 LYS 48 2HD LYS 48 -7.002 -5.669 -11.067 319 HE2 LYS 48 1HE LYS 48 -7.575 -4.698 -13.193 320 HE3 LYS 48 2HE LYS 48 -7.802 -3.490 -11.929 321 HZ1 LYS 48 1HZ LYS 48 -5.377 -2.852 -12.581 322 HZ2 LYS 48 2HZ LYS 48 -6.681 -2.289 -13.499 323 HZ3 LYS 48 3HZ LYS 48 -5.771 -3.607 -14.043 324 H GLN 49 H GLN 49 -5.933 -5.294 -6.935 325 HA GLN 49 HA GLN 49 -6.696 -2.746 -5.668 326 HB2 GLN 49 1HB GLN 49 -8.995 -3.865 -5.438 327 HB3 GLN 49 2HB GLN 49 -8.531 -3.271 -7.027 328 HG2 GLN 49 1HG GLN 49 -7.837 -5.572 -7.629 329 HG3 GLN 49 2HG GLN 49 -8.457 -6.123 -6.073 330 HE21 GLN 49 1HE2 GLN 49 -10.058 -7.412 -6.850 331 HE22 GLN 49 2HE2 GLN 49 -11.439 -6.819 -7.701 332 H TYR 50 H TYR 50 -5.363 -3.087 -3.879 333 HA TYR 50 HA TYR 50 -5.693 -5.506 -2.307 334 HB2 TYR 50 1HB TYR 50 -3.451 -4.630 -2.496 335 HB3 TYR 50 2HB TYR 50 -3.971 -3.053 -1.911 336 HD1 TYR 50 2HD TYR 50 -4.769 -2.857 0.482 337 HD2 TYR 50 1HD TYR 50 -2.787 -6.320 -0.996 338 HE1 TYR 50 2HE TYR 50 -4.250 -3.536 2.788 339 HE2 TYR 50 1HE TYR 50 -2.264 -7.010 1.306 340 HH TYR 50 HH TYR 50 -2.163 -5.219 3.785 341 H LYS 51 H LYS 51 -6.457 -5.562 -0.175 342 HA LYS 51 HA LYS 51 -8.405 -3.466 0.429 343 HB2 LYS 51 1HB LYS 51 -9.367 -5.639 0.453 344 HB3 LYS 51 2HB LYS 51 -8.048 -6.292 1.416 345 HG2 LYS 51 1HG LYS 51 -8.779 -4.949 3.325 346 HG3 LYS 51 2HG LYS 51 -10.109 -4.307 2.357 347 HD2 LYS 51 1HD LYS 51 -9.703 -7.244 2.899 348 HD3 LYS 51 2HD LYS 51 -10.723 -6.199 3.891 349 HE2 LYS 51 1HE LYS 51 -12.177 -5.753 2.054 350 HE3 LYS 51 2HE LYS 51 -11.077 -6.535 0.919 351 HZ1 LYS 51 1HZ LYS 51 -12.158 -8.417 1.270 352 HZ2 LYS 51 2HZ LYS 51 -13.151 -7.688 2.429 353 HZ3 LYS 51 3HZ LYS 51 -11.686 -8.395 2.895 354 H CYS 52 H CYS 52 -7.290 -1.835 1.405 355 HA CYS 52 HA CYS 52 -5.142 -1.781 3.003 356 HB2 CYS 52 1HB CYS 52 -5.847 0.274 3.816 357 HB3 CYS 52 2HB CYS 52 -6.831 0.109 2.366 358 HA PRO 53 HA PRO 53 -5.783 -4.066 6.694 359 HB2 PRO 53 1HB PRO 53 -4.362 -2.601 8.484 360 HB3 PRO 53 2HB PRO 53 -3.601 -3.588 7.231 361 HG2 PRO 53 1HG PRO 53 -4.118 -0.640 7.265 362 HG3 PRO 53 2HG PRO 53 -2.670 -1.516 6.734 363 HD2 PRO 53 1HD PRO 53 -4.513 -0.559 4.996 364 HD3 PRO 53 2HD PRO 53 -3.585 -2.040 4.685 365 H SER 54 H SER 54 -6.939 -0.881 6.364 366 HA SER 54 HA SER 54 -8.107 -0.670 8.991 367 HB2 SER 54 1HB SER 54 -8.875 1.004 6.606 368 HB3 SER 54 2HB SER 54 -8.905 1.445 8.314 369 HG SER 54 HG SER 54 -6.571 0.938 6.776 370 H CYS 55 H CYS 55 -9.075 -1.781 5.835 371 HA CYS 55 HA CYS 55 -11.869 -2.005 6.641 372 HB2 CYS 55 1HB CYS 55 -10.487 -2.633 4.025 373 HB3 CYS 55 2HB CYS 55 -12.217 -2.796 4.305 374 H SER 56 H SER 56 -9.153 -4.070 5.694 375 HA SER 56 HA SER 56 -10.503 -6.528 5.828 376 HB2 SER 56 1HB SER 56 -8.440 -7.509 5.510 377 HB3 SER 56 2HB SER 56 -8.081 -5.870 4.968 378 HG SER 56 HG SER 56 -6.897 -7.207 6.891 379 H ASN 57 H ASN 57 -9.702 -4.361 8.277 380 HA ASN 57 HA ASN 57 -9.984 -6.468 10.318 381 HB2 ASN 57 1HB ASN 57 -8.214 -4.075 10.187 382 HB3 ASN 57 2HB ASN 57 -8.862 -4.524 11.762 383 HD21 ASN 57 1HD2 ASN 57 -6.121 -4.596 10.629 384 HD22 ASN 57 2HD2 ASN 57 -5.576 -6.217 10.875 385 H LYS 58 H LYS 58 -12.314 -5.770 9.489 386 HA LYS 58 HA LYS 58 -13.522 -4.416 11.683 387 HB2 LYS 58 1HB LYS 58 -14.259 -2.435 10.734 388 HB3 LYS 58 2HB LYS 58 -12.637 -2.571 10.068 389 HG2 LYS 58 1HG LYS 58 -13.461 -3.288 7.967 390 HG3 LYS 58 2HG LYS 58 -15.087 -3.524 8.611 391 HD2 LYS 58 1HD LYS 58 -13.881 -0.815 8.824 392 HD3 LYS 58 2HD LYS 58 -14.423 -1.357 7.234 393 HE2 LYS 58 1HE LYS 58 -16.272 -0.246 8.163 394 HE3 LYS 58 2HE LYS 58 -16.620 -1.962 8.368 395 HZ1 LYS 58 1HZ LYS 58 -16.181 -1.860 10.631 396 HZ2 LYS 58 2HZ LYS 58 -17.007 -0.413 10.341 397 HZ3 LYS 58 3HZ LYS 58 -15.324 -0.405 10.516 398 H SER 59 H SER 59 -15.669 -4.914 11.869 399 HA SER 59 HA SER 59 -16.713 -7.152 10.726 400 HB2 SER 59 1HB SER 59 -18.061 -4.726 11.885 401 HB3 SER 59 2HB SER 59 -19.011 -6.076 11.264 402 HG SER 59 HG SER 59 -17.635 -7.401 12.703 403 H GLY 60 H GLY 60 -16.941 -7.618 8.639 404 HA2 GLY 60 1HA GLY 60 -18.175 -5.573 6.898 405 HA3 GLY 60 2HA GLY 60 -16.870 -6.613 6.347 406 HA PRO 61 HA PRO 61 -20.501 -8.785 4.770 407 HB2 PRO 61 1HB PRO 61 -19.109 -10.221 2.934 408 HB3 PRO 61 2HB PRO 61 -19.611 -8.547 2.665 409 HG2 PRO 61 1HG PRO 61 -16.949 -9.612 3.528 410 HG3 PRO 61 2HG PRO 61 -17.316 -8.338 2.350 411 HD2 PRO 61 1HD PRO 61 -16.525 -7.797 4.882 412 HD3 PRO 61 2HD PRO 61 -17.638 -6.745 3.984 413 H SER 62 H SER 62 -17.897 -9.750 6.614 414 HA SER 62 HA SER 62 -18.703 -12.578 6.593 415 HB2 SER 62 1HB SER 62 -16.247 -11.846 6.254 416 HB3 SER 62 2HB SER 62 -16.259 -11.500 7.983 417 HG SER 62 HG SER 62 -15.922 -13.839 6.793 418 H SER 63 H SER 63 -19.284 -13.628 8.481 419 HA SER 63 HA SER 63 -19.640 -11.944 10.867 420 HB2 SER 63 1HB SER 63 -21.670 -13.905 9.769 421 HB3 SER 63 2HB SER 63 -21.836 -12.973 11.256 422 HG SER 63 HG SER 63 -22.072 -12.164 8.608 423 H GLY 64 H GLY 64 -18.272 -12.785 12.311 424 HA2 GLY 64 1HA GLY 64 -17.777 -14.384 13.971 425 HA3 GLY 64 2HA GLY 64 -18.565 -15.612 12.992 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -8.891 20.935 0.388 2 HA2 GLY 1 1HA GLY 1 -10.321 19.137 -1.451 3 HA3 GLY 1 2HA GLY 1 -9.550 20.584 -2.082 4 H SER 2 H SER 2 -7.336 20.653 -2.318 5 HA SER 2 HA SER 2 -6.032 18.058 -2.335 6 HB2 SER 2 1HB SER 2 -5.734 19.381 -4.318 7 HB3 SER 2 2HB SER 2 -5.195 20.771 -3.376 8 HG SER 2 HG SER 2 -3.806 18.326 -3.238 9 H SER 3 H SER 3 -5.083 21.315 -1.223 10 HA SER 3 HA SER 3 -3.384 20.040 0.807 11 HB2 SER 3 1HB SER 3 -2.340 21.661 -0.811 12 HB3 SER 3 2HB SER 3 -3.333 22.928 -0.092 13 HG SER 3 HG SER 3 -1.002 22.000 0.757 14 H GLY 4 H GLY 4 -4.988 19.610 2.344 15 HA2 GLY 4 1HA GLY 4 -5.888 22.003 3.798 16 HA3 GLY 4 2HA GLY 4 -7.060 20.763 3.377 17 H SER 5 H SER 5 -7.493 19.360 4.932 18 HA SER 5 HA SER 5 -5.418 18.844 6.962 19 HB2 SER 5 1HB SER 5 -7.262 18.435 8.558 20 HB3 SER 5 2HB SER 5 -7.313 20.071 7.904 21 HG SER 5 HG SER 5 -9.350 18.773 7.974 22 H SER 6 H SER 6 -8.158 17.433 5.207 23 HA SER 6 HA SER 6 -7.772 14.785 6.112 24 HB2 SER 6 1HB SER 6 -9.894 15.324 5.178 25 HB3 SER 6 2HB SER 6 -9.166 15.927 3.689 26 HG SER 6 HG SER 6 -10.087 13.560 4.036 27 H GLY 7 H GLY 7 -6.924 12.968 4.975 28 HA2 GLY 7 1HA GLY 7 -5.768 12.259 2.865 29 HA3 GLY 7 2HA GLY 7 -4.790 13.705 3.069 30 H GLN 8 H GLN 8 -4.422 13.521 5.879 31 HA GLN 8 HA GLN 8 -2.082 12.217 6.160 32 HB2 GLN 8 1HB GLN 8 -2.955 13.615 7.925 33 HB3 GLN 8 2HB GLN 8 -4.260 12.479 8.236 34 HG2 GLN 8 1HG GLN 8 -1.460 11.517 8.476 35 HG3 GLN 8 2HG GLN 8 -2.111 12.556 9.743 36 HE21 GLN 8 1HE2 GLN 8 -1.982 10.864 11.237 37 HE22 GLN 8 2HE2 GLN 8 -3.115 9.559 11.232 38 H CYS 9 H CYS 9 -1.328 10.188 6.633 39 HA CYS 9 HA CYS 9 -2.968 7.990 5.838 40 HB2 CYS 9 1HB CYS 9 -0.678 7.827 5.264 41 HB3 CYS 9 2HB CYS 9 -0.158 8.208 6.903 42 H GLY 10 H GLY 10 -4.315 6.855 7.062 43 HA2 GLY 10 1HA GLY 10 -4.703 7.334 9.804 44 HA3 GLY 10 2HA GLY 10 -5.365 5.977 8.904 45 H ALA 11 H ALA 11 -2.936 4.766 8.130 46 HA ALA 11 HA ALA 11 -2.435 3.061 10.246 47 HB1 ALA 11 1HB ALA 11 -1.270 1.981 8.697 48 HB2 ALA 11 2HB ALA 11 -1.527 3.345 7.610 49 HB3 ALA 11 3HB ALA 11 -0.081 3.282 8.618 50 H CYS 12 H CYS 12 -0.318 5.709 9.124 51 HA CYS 12 HA CYS 12 0.715 5.915 11.874 52 HB2 CYS 12 1HB CYS 12 2.936 6.312 11.055 53 HB3 CYS 12 2HB CYS 12 2.346 4.833 10.304 54 H GLY 13 H GLY 13 0.264 7.582 8.772 55 HA2 GLY 13 1HA GLY 13 -0.566 9.729 8.434 56 HA3 GLY 13 2HA GLY 13 -0.547 9.982 10.173 57 H GLU 14 H GLU 14 2.116 9.015 8.043 58 HA GLU 14 HA GLU 14 4.042 10.610 9.216 59 HB2 GLU 14 1HB GLU 14 3.761 9.351 6.523 60 HB3 GLU 14 2HB GLU 14 5.072 10.493 6.782 61 HG2 GLU 14 1HG GLU 14 4.653 8.238 8.693 62 HG3 GLU 14 2HG GLU 14 5.473 7.963 7.157 63 H SER 15 H SER 15 5.284 12.337 7.784 64 HA SER 15 HA SER 15 3.698 14.658 7.802 65 HB2 SER 15 1HB SER 15 6.134 14.711 8.125 66 HB3 SER 15 2HB SER 15 6.371 14.197 6.455 67 HG SER 15 HG SER 15 6.135 16.651 7.336 68 H TYR 16 H TYR 16 3.414 16.141 5.924 69 HA TYR 16 HA TYR 16 2.080 14.734 3.800 70 HB2 TYR 16 1HB TYR 16 1.304 16.907 4.894 71 HB3 TYR 16 2HB TYR 16 2.552 17.709 3.946 72 HD1 TYR 16 2HD TYR 16 2.469 16.753 1.340 73 HD2 TYR 16 1HD TYR 16 -0.808 17.158 4.024 74 HE1 TYR 16 2HE TYR 16 0.928 16.899 -0.572 75 HE2 TYR 16 1HE TYR 16 -2.357 17.304 2.119 76 HH TYR 16 HH TYR 16 -2.198 16.389 -0.456 77 H ALA 17 H ALA 17 3.529 13.712 2.492 78 HA ALA 17 HA ALA 17 5.373 15.454 0.995 79 HB1 ALA 17 1HB ALA 17 7.152 14.165 1.405 80 HB2 ALA 17 2HB ALA 17 6.203 13.518 2.744 81 HB3 ALA 17 3HB ALA 17 6.235 12.672 1.197 82 H ALA 18 H ALA 18 5.551 15.076 -1.193 83 HA ALA 18 HA ALA 18 3.494 13.316 -2.325 84 HB1 ALA 18 1HB ALA 18 4.881 15.770 -3.338 85 HB2 ALA 18 2HB ALA 18 4.059 14.670 -4.445 86 HB3 ALA 18 3HB ALA 18 3.154 15.461 -3.154 87 H ASP 19 H ASP 19 5.773 12.041 -1.379 88 HA ASP 19 HA ASP 19 6.960 11.097 -3.898 89 HB2 ASP 19 1HB ASP 19 8.670 12.439 -2.867 90 HB3 ASP 19 2HB ASP 19 8.411 11.660 -1.308 91 H GLU 20 H GLU 20 6.742 10.318 -0.422 92 HA GLU 20 HA GLU 20 7.258 7.712 -0.293 93 HB2 GLU 20 1HB GLU 20 6.006 9.388 1.382 94 HB3 GLU 20 2HB GLU 20 4.627 8.414 0.893 95 HG2 GLU 20 1HG GLU 20 7.149 7.119 1.840 96 HG3 GLU 20 2HG GLU 20 5.961 7.738 2.987 97 H PHE 21 H PHE 21 6.286 5.731 -0.711 98 HA PHE 21 HA PHE 21 4.578 5.687 -3.026 99 HB2 PHE 21 1HB PHE 21 6.084 3.961 -3.183 100 HB3 PHE 21 2HB PHE 21 6.101 3.675 -1.446 101 HD1 PHE 21 1HD PHE 21 3.433 3.640 -4.057 102 HD2 PHE 21 2HD PHE 21 5.442 1.541 -0.946 103 HE1 PHE 21 1HE PHE 21 1.906 1.735 -4.361 104 HE2 PHE 21 2HE PHE 21 3.919 -0.367 -1.246 105 HZ PHE 21 HZ PHE 21 2.149 -0.273 -2.955 106 H TRP 22 H TRP 22 2.497 6.189 -2.693 107 HA TRP 22 HA TRP 22 1.113 5.335 -0.297 108 HB2 TRP 22 1HB TRP 22 0.044 6.791 -2.725 109 HB3 TRP 22 2HB TRP 22 -0.781 6.598 -1.181 110 HD1 TRP 22 HD TRP 22 2.307 8.372 -2.679 111 HE1 TRP 22 1HE TRP 22 2.830 10.430 -1.225 112 HE3 TRP 22 3HE TRP 22 -1.135 7.642 1.030 113 HZ2 TRP 22 2HZ TRP 22 1.907 11.591 1.177 114 HZ3 TRP 22 3HZ TRP 22 -1.250 9.272 2.870 115 HH2 TRP 22 HH TRP 22 0.241 11.204 2.940 116 H ILE 23 H ILE 23 -0.666 3.942 -0.228 117 HA ILE 23 HA ILE 23 -0.755 2.015 -2.442 118 HB ILE 23 HB ILE 23 -1.464 0.367 -0.939 119 HG12 ILE 23 1HG1 ILE 23 -1.900 1.261 1.557 120 HG13 ILE 23 2HG1 ILE 23 -2.414 2.684 0.659 121 HG21 ILE 23 1HG2 ILE 23 0.657 2.159 0.094 122 HG22 ILE 23 2HG2 ILE 23 0.081 0.884 1.167 123 HG23 ILE 23 3HG2 ILE 23 0.744 0.473 -0.415 124 HD11 ILE 23 1HD1 ILE 23 -3.850 1.043 -0.698 125 HD12 ILE 23 2HD1 ILE 23 -3.566 -0.072 0.639 126 HD13 ILE 23 3HD1 ILE 23 -4.365 1.473 0.932 127 H CYS 24 H CYS 24 -2.830 1.089 -3.033 128 HA CYS 24 HA CYS 24 -5.000 3.063 -2.792 129 HB2 CYS 24 1HB CYS 24 -4.306 1.104 -4.976 130 HB3 CYS 24 2HB CYS 24 -5.873 1.899 -4.894 131 HG CYS 24 HG CYS 24 -3.398 4.093 -4.671 132 H CYS 25 H CYS 25 -7.140 2.343 -2.479 133 HA CYS 25 HA CYS 25 -7.492 -0.462 -1.713 134 HB2 CYS 25 1HB CYS 25 -6.960 0.870 0.337 135 HB3 CYS 25 2HB CYS 25 -8.398 1.838 0.029 136 H ASP 26 H ASP 26 -9.228 -1.263 -2.676 137 HA ASP 26 HA ASP 26 -11.156 0.522 -3.904 138 HB2 ASP 26 1HB ASP 26 -10.121 -1.652 -4.915 139 HB3 ASP 26 2HB ASP 26 -11.362 -2.470 -3.969 140 H LEU 27 H LEU 27 -11.148 0.480 -1.048 141 HA LEU 27 HA LEU 27 -13.878 -0.506 -0.585 142 HB2 LEU 27 1HB LEU 27 -11.483 -0.797 1.210 143 HB3 LEU 27 2HB LEU 27 -13.137 -0.950 1.798 144 HG LEU 27 HG LEU 27 -13.233 -2.744 -0.179 145 HD11 LEU 27 1HD1 LEU 27 -11.137 -4.016 -0.230 146 HD12 LEU 27 2HD1 LEU 27 -10.356 -2.755 0.723 147 HD13 LEU 27 3HD1 LEU 27 -10.943 -2.396 -0.901 148 HD21 LEU 27 1HD2 LEU 27 -13.231 -2.785 2.567 149 HD22 LEU 27 2HD2 LEU 27 -11.919 -3.890 2.157 150 HD23 LEU 27 3HD2 LEU 27 -13.539 -4.167 1.515 151 H CYS 28 H CYS 28 -11.409 1.336 1.216 152 HA CYS 28 HA CYS 28 -13.460 3.334 1.847 153 HB2 CYS 28 1HB CYS 28 -11.913 4.095 3.598 154 HB3 CYS 28 2HB CYS 28 -12.257 2.375 3.753 155 H GLU 29 H GLU 29 -10.570 2.859 0.026 156 HA GLU 29 HA GLU 29 -9.412 4.187 -1.412 157 HB2 GLU 29 1HB GLU 29 -11.940 5.816 -1.178 158 HB3 GLU 29 2HB GLU 29 -10.623 6.249 -2.259 159 HG2 GLU 29 1HG GLU 29 -11.988 3.577 -2.355 160 HG3 GLU 29 2HG GLU 29 -12.547 4.974 -3.275 161 H MET 30 H MET 30 -8.588 4.377 1.158 162 HA MET 30 HA MET 30 -8.367 7.193 1.862 163 HB2 MET 30 1HB MET 30 -7.790 4.609 3.218 164 HB3 MET 30 2HB MET 30 -6.845 6.008 3.710 165 HG2 MET 30 1HG MET 30 -9.851 5.935 3.663 166 HG3 MET 30 2HG MET 30 -8.870 5.590 5.085 167 HE1 MET 30 1HE MET 30 -9.495 7.199 6.711 168 HE2 MET 30 2HE MET 30 -7.763 7.519 6.620 169 HE3 MET 30 3HE MET 30 -8.905 8.861 6.713 170 H TRP 31 H TRP 31 -5.977 7.624 2.830 171 HA TRP 31 HA TRP 31 -4.135 7.054 0.602 172 HB2 TRP 31 1HB TRP 31 -4.413 9.498 2.351 173 HB3 TRP 31 2HB TRP 31 -3.000 9.209 1.339 174 HD1 TRP 31 HD TRP 31 -6.015 11.129 1.230 175 HE1 TRP 31 1HE TRP 31 -6.778 11.621 -1.178 176 HE3 TRP 31 3HE TRP 31 -3.179 7.668 -1.242 177 HZ2 TRP 31 2HZ TRP 31 -6.248 10.668 -3.782 178 HZ3 TRP 31 3HZ TRP 31 -3.367 7.522 -3.691 179 HH2 TRP 31 HH TRP 31 -4.870 8.992 -4.933 180 H PHE 32 H PHE 32 -3.347 5.152 1.598 181 HA PHE 32 HA PHE 32 -1.861 5.544 4.101 182 HB2 PHE 32 1HB PHE 32 -2.495 2.920 2.746 183 HB3 PHE 32 2HB PHE 32 -1.913 3.163 4.390 184 HD1 PHE 32 1HD PHE 32 -3.611 5.210 5.466 185 HD2 PHE 32 2HD PHE 32 -4.600 2.007 2.844 186 HE1 PHE 32 1HE PHE 32 -5.932 5.266 6.279 187 HE2 PHE 32 2HE PHE 32 -6.923 2.058 3.652 188 HZ PHE 32 HZ PHE 32 -7.592 3.689 5.371 189 H HIS 33 H HIS 33 0.089 3.808 4.097 190 HA HIS 33 HA HIS 33 1.657 4.357 1.662 191 HB2 HIS 33 1HB HIS 33 2.776 4.127 4.459 192 HB3 HIS 33 2HB HIS 33 3.632 4.631 3.005 193 HD2 HIS 33 2HD HIS 33 1.730 7.000 1.942 194 HE1 HIS 33 1HE HIS 33 2.045 8.574 5.869 195 HE2 HIS 33 2HE HIS 33 1.370 9.042 3.488 196 H GLY 34 H GLY 34 2.973 2.733 0.869 197 HA2 GLY 34 1HA GLY 34 2.172 0.125 1.012 198 HA3 GLY 34 2HA GLY 34 3.807 0.605 0.582 199 H LYS 35 H LYS 35 5.157 1.246 2.607 200 HA LYS 35 HA LYS 35 5.737 -0.973 4.078 201 HB2 LYS 35 1HB LYS 35 6.963 0.444 5.595 202 HB3 LYS 35 2HB LYS 35 7.123 1.089 3.967 203 HG2 LYS 35 1HG LYS 35 6.706 3.014 5.092 204 HG3 LYS 35 2HG LYS 35 5.047 2.539 4.719 205 HD2 LYS 35 1HD LYS 35 4.902 3.031 6.971 206 HD3 LYS 35 2HD LYS 35 5.185 1.289 7.003 207 HE2 LYS 35 1HE LYS 35 6.732 1.960 8.543 208 HE3 LYS 35 2HE LYS 35 7.710 2.056 7.080 209 HZ1 LYS 35 1HZ LYS 35 6.243 4.362 8.233 210 HZ2 LYS 35 2HZ LYS 35 7.376 4.395 6.978 211 HZ3 LYS 35 3HZ LYS 35 7.870 4.029 8.554 212 H CYS 36 H CYS 36 3.430 1.574 4.910 213 HA CYS 36 HA CYS 36 2.803 0.672 7.498 214 HB2 CYS 36 1HB CYS 36 1.435 2.410 5.483 215 HB3 CYS 36 2HB CYS 36 0.537 1.881 6.902 216 H VAL 37 H VAL 37 1.273 0.005 4.363 217 HA VAL 37 HA VAL 37 -0.591 -1.863 5.545 218 HB VAL 37 HB VAL 37 -1.224 -0.451 3.604 219 HG11 VAL 37 1HG1 VAL 37 -0.414 -1.037 1.376 220 HG12 VAL 37 2HG1 VAL 37 0.911 -0.511 2.415 221 HG13 VAL 37 3HG1 VAL 37 0.680 -2.227 2.080 222 HG21 VAL 37 1HG2 VAL 37 -2.765 -1.994 3.179 223 HG22 VAL 37 2HG2 VAL 37 -1.593 -2.992 2.319 224 HG23 VAL 37 3HG2 VAL 37 -1.784 -3.161 4.064 225 H LYS 38 H LYS 38 2.475 -2.222 5.413 226 HA LYS 38 HA LYS 38 3.951 -3.942 5.218 227 HB2 LYS 38 1HB LYS 38 1.392 -5.550 5.239 228 HB3 LYS 38 2HB LYS 38 2.999 -6.250 5.374 229 HG2 LYS 38 1HG LYS 38 3.365 -4.937 7.430 230 HG3 LYS 38 2HG LYS 38 1.710 -4.335 7.308 231 HD2 LYS 38 1HD LYS 38 1.063 -6.843 7.236 232 HD3 LYS 38 2HD LYS 38 2.677 -7.109 7.900 233 HE2 LYS 38 1HE LYS 38 1.912 -5.228 9.585 234 HE3 LYS 38 2HE LYS 38 0.305 -5.785 9.121 235 HZ1 LYS 38 1HZ LYS 38 1.798 -6.880 11.066 236 HZ2 LYS 38 2HZ LYS 38 2.164 -7.898 9.766 237 HZ3 LYS 38 3HZ LYS 38 0.557 -7.686 10.247 238 H ILE 39 H ILE 39 3.603 -2.662 2.883 239 HA ILE 39 HA ILE 39 3.904 -4.831 0.944 240 HB ILE 39 HB ILE 39 2.123 -2.432 0.503 241 HG12 ILE 39 1HG1 ILE 39 1.535 -5.400 0.532 242 HG13 ILE 39 2HG1 ILE 39 1.065 -4.244 1.773 243 HG21 ILE 39 1HG2 ILE 39 2.143 -4.445 -1.585 244 HG22 ILE 39 2HG2 ILE 39 2.298 -2.693 -1.703 245 HG23 ILE 39 3HG2 ILE 39 3.719 -3.684 -1.373 246 HD11 ILE 39 1HD1 ILE 39 -0.789 -4.825 0.294 247 HD12 ILE 39 2HD1 ILE 39 -0.383 -3.111 0.197 248 HD13 ILE 39 3HD1 ILE 39 0.124 -4.211 -1.084 249 H THR 40 H THR 40 5.567 -4.529 -0.416 250 HA THR 40 HA THR 40 7.226 -2.196 -0.067 251 HB THR 40 HB THR 40 8.757 -3.333 -1.672 252 HG1 THR 40 1HG THR 40 6.508 -4.902 -2.001 253 HG21 THR 40 1HG2 THR 40 7.766 -5.022 0.628 254 HG22 THR 40 2HG2 THR 40 8.987 -3.753 0.712 255 HG23 THR 40 3HG2 THR 40 9.311 -5.230 -0.195 256 HA PRO 41 HA PRO 41 5.947 0.160 -3.545 257 HB2 PRO 41 1HB PRO 41 8.295 1.292 -4.304 258 HB3 PRO 41 2HB PRO 41 7.424 1.774 -2.844 259 HG2 PRO 41 1HG PRO 41 9.771 -0.062 -3.131 260 HG3 PRO 41 2HG PRO 41 9.479 1.200 -1.920 261 HD2 PRO 41 1HD PRO 41 9.067 -1.428 -1.414 262 HD3 PRO 41 2HD PRO 41 8.090 -0.148 -0.667 263 H ALA 42 H ALA 42 7.998 -2.498 -3.853 264 HA ALA 42 HA ALA 42 8.237 -2.256 -6.759 265 HB1 ALA 42 1HB ALA 42 9.363 -4.357 -4.911 266 HB2 ALA 42 2HB ALA 42 9.721 -4.173 -6.629 267 HB3 ALA 42 3HB ALA 42 10.225 -2.929 -5.485 268 H ARG 43 H ARG 43 6.961 -4.500 -4.313 269 HA ARG 43 HA ARG 43 5.807 -6.301 -6.166 270 HB2 ARG 43 1HB ARG 43 6.240 -7.046 -3.927 271 HB3 ARG 43 2HB ARG 43 5.236 -5.771 -3.250 272 HG2 ARG 43 1HG ARG 43 3.343 -6.903 -4.630 273 HG3 ARG 43 2HG ARG 43 4.427 -8.296 -4.613 274 HD2 ARG 43 1HD ARG 43 4.554 -7.841 -2.061 275 HD3 ARG 43 2HD ARG 43 3.076 -6.916 -2.326 276 HE ARG 43 HE ARG 43 3.057 -9.612 -3.378 277 HH11 ARG 43 2HH1 ARG 43 2.296 -7.517 -0.704 278 HH12 ARG 43 1HH1 ARG 43 1.122 -8.595 -0.025 279 HH21 ARG 43 2HH2 ARG 43 1.514 -11.039 -2.494 280 HH22 ARG 43 1HH2 ARG 43 0.678 -10.598 -1.043 281 H ALA 44 H ALA 44 4.622 -3.410 -4.556 282 HA ALA 44 HA ALA 44 1.933 -3.507 -4.869 283 HB1 ALA 44 1HB ALA 44 3.303 -1.015 -5.766 284 HB2 ALA 44 2HB ALA 44 1.903 -1.214 -4.713 285 HB3 ALA 44 3HB ALA 44 3.520 -1.570 -4.106 286 H GLU 45 H GLU 45 4.307 -2.976 -7.419 287 HA GLU 45 HA GLU 45 2.735 -2.141 -9.505 288 HB2 GLU 45 1HB GLU 45 4.940 -4.200 -9.698 289 HB3 GLU 45 2HB GLU 45 4.349 -3.182 -11.003 290 HG2 GLU 45 1HG GLU 45 5.347 -1.283 -10.156 291 HG3 GLU 45 2HG GLU 45 5.440 -1.936 -8.521 292 H HIS 46 H HIS 46 3.138 -5.433 -8.284 293 HA HIS 46 HA HIS 46 1.495 -6.622 -10.305 294 HB2 HIS 46 1HB HIS 46 2.416 -7.700 -7.632 295 HB3 HIS 46 2HB HIS 46 1.629 -8.650 -8.890 296 HD1 HIS 46 1HD HIS 46 3.731 -10.170 -9.064 297 HD2 HIS 46 2HD HIS 46 4.410 -6.182 -10.008 298 HE1 HIS 46 1HE HIS 46 5.979 -10.119 -10.189 299 HE2 HIS 46 2HE HIS 46 6.407 -7.685 -10.675 300 H ILE 47 H ILE 47 1.003 -5.491 -7.006 301 HA ILE 47 HA ILE 47 -1.642 -6.509 -6.742 302 HB ILE 47 HB ILE 47 -0.290 -4.262 -5.243 303 HG12 ILE 47 1HG1 ILE 47 -0.720 -7.128 -4.387 304 HG13 ILE 47 2HG1 ILE 47 0.773 -6.551 -5.118 305 HG21 ILE 47 1HG2 ILE 47 -2.489 -5.788 -4.009 306 HG22 ILE 47 2HG2 ILE 47 -2.088 -4.076 -3.892 307 HG23 ILE 47 3HG2 ILE 47 -2.945 -4.685 -5.308 308 HD11 ILE 47 1HD1 ILE 47 -0.403 -5.844 -2.458 309 HD12 ILE 47 2HD1 ILE 47 1.182 -6.525 -2.827 310 HD13 ILE 47 3HD1 ILE 47 0.830 -4.844 -3.226 311 H LYS 48 H LYS 48 -3.584 -5.596 -7.179 312 HA LYS 48 HA LYS 48 -3.542 -3.013 -8.594 313 HB2 LYS 48 1HB LYS 48 -5.321 -5.427 -8.892 314 HB3 LYS 48 2HB LYS 48 -5.761 -3.857 -9.550 315 HG2 LYS 48 1HG LYS 48 -3.792 -3.852 -10.951 316 HG3 LYS 48 2HG LYS 48 -3.252 -5.374 -10.239 317 HD2 LYS 48 1HD LYS 48 -5.298 -6.461 -11.097 318 HD3 LYS 48 2HD LYS 48 -5.755 -4.941 -11.870 319 HE2 LYS 48 1HE LYS 48 -3.187 -6.421 -12.421 320 HE3 LYS 48 2HE LYS 48 -4.650 -6.585 -13.391 321 HZ1 LYS 48 1HZ LYS 48 -4.490 -4.402 -14.135 322 HZ2 LYS 48 2HZ LYS 48 -2.887 -4.941 -14.167 323 HZ3 LYS 48 3HZ LYS 48 -3.418 -3.944 -12.908 324 H GLN 49 H GLN 49 -5.703 -5.018 -6.583 325 HA GLN 49 HA GLN 49 -6.581 -2.555 -5.240 326 HB2 GLN 49 1HB GLN 49 -8.313 -4.813 -6.243 327 HB3 GLN 49 2HB GLN 49 -8.870 -3.614 -5.085 328 HG2 GLN 49 1HG GLN 49 -9.645 -2.761 -7.070 329 HG3 GLN 49 2HG GLN 49 -8.119 -1.900 -6.874 330 HE21 GLN 49 1HE2 GLN 49 -8.610 -1.660 -9.255 331 HE22 GLN 49 2HE2 GLN 49 -7.941 -2.856 -10.307 332 H TYR 50 H TYR 50 -5.125 -3.075 -3.550 333 HA TYR 50 HA TYR 50 -5.417 -5.572 -2.130 334 HB2 TYR 50 1HB TYR 50 -3.209 -4.663 -2.214 335 HB3 TYR 50 2HB TYR 50 -3.760 -3.099 -1.625 336 HD1 TYR 50 2HD TYR 50 -4.502 -2.879 0.755 337 HD2 TYR 50 1HD TYR 50 -2.624 -6.403 -0.713 338 HE1 TYR 50 2HE TYR 50 -4.000 -3.566 3.063 339 HE2 TYR 50 1HE TYR 50 -2.117 -7.100 1.591 340 HH TYR 50 HH TYR 50 -3.534 -6.139 4.156 341 H LYS 51 H LYS 51 -6.113 -5.791 0.032 342 HA LYS 51 HA LYS 51 -8.239 -3.933 0.742 343 HB2 LYS 51 1HB LYS 51 -8.301 -6.568 0.755 344 HB3 LYS 51 2HB LYS 51 -7.589 -6.369 2.351 345 HG2 LYS 51 1HG LYS 51 -9.483 -5.035 3.061 346 HG3 LYS 51 2HG LYS 51 -10.186 -5.142 1.446 347 HD2 LYS 51 1HD LYS 51 -9.859 -7.754 1.959 348 HD3 LYS 51 2HD LYS 51 -10.066 -7.158 3.608 349 HE2 LYS 51 1HE LYS 51 -12.253 -7.484 3.098 350 HE3 LYS 51 2HE LYS 51 -12.080 -5.855 2.447 351 HZ1 LYS 51 1HZ LYS 51 -13.122 -7.075 0.771 352 HZ2 LYS 51 2HZ LYS 51 -12.117 -8.419 0.976 353 HZ3 LYS 51 3HZ LYS 51 -11.505 -7.006 0.277 354 H CYS 52 H CYS 52 -7.281 -2.147 1.626 355 HA CYS 52 HA CYS 52 -5.090 -1.900 3.212 356 HB2 CYS 52 1HB CYS 52 -5.855 0.198 3.792 357 HB3 CYS 52 2HB CYS 52 -6.861 -0.136 2.387 358 HA PRO 53 HA PRO 53 -5.756 -3.863 7.079 359 HB2 PRO 53 1HB PRO 53 -4.500 -2.166 8.785 360 HB3 PRO 53 2HB PRO 53 -3.630 -3.209 7.654 361 HG2 PRO 53 1HG PRO 53 -4.316 -0.306 7.409 362 HG3 PRO 53 2HG PRO 53 -2.799 -1.134 7.013 363 HD2 PRO 53 1HD PRO 53 -4.616 -0.444 5.128 364 HD3 PRO 53 2HD PRO 53 -3.593 -1.888 4.984 365 H SER 54 H SER 54 -6.949 -0.680 6.529 366 HA SER 54 HA SER 54 -8.320 -0.431 9.050 367 HB2 SER 54 1HB SER 54 -7.487 1.489 7.557 368 HB3 SER 54 2HB SER 54 -8.914 1.176 6.570 369 HG SER 54 HG SER 54 -9.182 1.519 9.346 370 H CYS 55 H CYS 55 -8.972 -1.808 5.959 371 HA CYS 55 HA CYS 55 -11.846 -1.943 6.464 372 HB2 CYS 55 1HB CYS 55 -10.131 -2.647 4.086 373 HB3 CYS 55 2HB CYS 55 -11.833 -3.088 4.176 374 H SER 56 H SER 56 -9.210 -4.200 5.638 375 HA SER 56 HA SER 56 -10.449 -6.598 5.884 376 HB2 SER 56 1HB SER 56 -8.330 -7.576 6.412 377 HB3 SER 56 2HB SER 56 -8.002 -6.182 5.383 378 HG SER 56 HG SER 56 -6.801 -6.572 7.531 379 H ASN 57 H ASN 57 -9.420 -4.499 8.518 380 HA ASN 57 HA ASN 57 -9.773 -6.223 10.670 381 HB2 ASN 57 1HB ASN 57 -8.874 -3.778 10.579 382 HB3 ASN 57 2HB ASN 57 -10.554 -3.329 10.858 383 HD21 ASN 57 1HD2 ASN 57 -7.675 -4.582 12.220 384 HD22 ASN 57 2HD2 ASN 57 -8.244 -4.736 13.844 385 H LYS 58 H LYS 58 -12.133 -4.143 9.039 386 HA LYS 58 HA LYS 58 -14.331 -4.319 10.599 387 HB2 LYS 58 1HB LYS 58 -14.327 -4.754 7.607 388 HB3 LYS 58 2HB LYS 58 -15.703 -4.232 8.571 389 HG2 LYS 58 1HG LYS 58 -14.199 -2.256 9.252 390 HG3 LYS 58 2HG LYS 58 -13.221 -2.721 7.859 391 HD2 LYS 58 1HD LYS 58 -16.183 -2.294 7.621 392 HD3 LYS 58 2HD LYS 58 -15.048 -0.946 7.519 393 HE2 LYS 58 1HE LYS 58 -13.908 -2.035 5.659 394 HE3 LYS 58 2HE LYS 58 -15.006 -3.409 5.777 395 HZ1 LYS 58 1HZ LYS 58 -16.848 -1.872 5.288 396 HZ2 LYS 58 2HZ LYS 58 -15.726 -1.963 4.026 397 HZ3 LYS 58 3HZ LYS 58 -15.732 -0.622 5.057 398 H SER 59 H SER 59 -15.745 -5.819 11.290 399 HA SER 59 HA SER 59 -16.333 -7.950 11.942 400 HB2 SER 59 1HB SER 59 -17.487 -9.151 10.154 401 HB3 SER 59 2HB SER 59 -17.818 -7.423 10.032 402 HG SER 59 HG SER 59 -17.266 -8.462 8.013 403 H GLY 60 H GLY 60 -13.519 -7.727 11.695 404 HA2 GLY 60 1HA GLY 60 -12.184 -9.573 10.167 405 HA3 GLY 60 2HA GLY 60 -11.711 -9.147 11.805 406 HA PRO 61 HA PRO 61 -12.439 -13.332 12.935 407 HB2 PRO 61 1HB PRO 61 -12.707 -13.011 15.617 408 HB3 PRO 61 2HB PRO 61 -11.150 -12.899 14.787 409 HG2 PRO 61 1HG PRO 61 -12.971 -10.706 15.703 410 HG3 PRO 61 2HG PRO 61 -11.205 -10.820 15.827 411 HD2 PRO 61 1HD PRO 61 -12.439 -9.352 13.915 412 HD3 PRO 61 2HD PRO 61 -10.883 -10.161 13.642 413 H SER 62 H SER 62 -14.057 -14.742 13.788 414 HA SER 62 HA SER 62 -16.730 -13.727 13.423 415 HB2 SER 62 1HB SER 62 -15.775 -16.501 14.177 416 HB3 SER 62 2HB SER 62 -17.421 -16.075 13.708 417 HG SER 62 HG SER 62 -15.152 -15.655 12.060 418 H SER 63 H SER 63 -17.447 -12.495 15.070 419 HA SER 63 HA SER 63 -16.979 -13.309 17.824 420 HB2 SER 63 1HB SER 63 -18.494 -10.897 16.801 421 HB3 SER 63 2HB SER 63 -17.901 -11.159 18.441 422 HG SER 63 HG SER 63 -16.104 -10.300 17.809 423 H GLY 64 H GLY 64 -18.863 -13.170 19.365 424 HA2 GLY 64 1HA GLY 64 -20.841 -14.084 20.087 425 HA3 GLY 64 2HA GLY 64 -21.525 -13.399 18.621 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -1.884 27.351 7.966 2 HA2 GLY 1 1HA GLY 1 -1.317 29.570 6.266 3 HA3 GLY 1 2HA GLY 1 -0.750 28.066 5.555 4 H SER 2 H SER 2 -2.162 27.834 3.900 5 HA SER 2 HA SER 2 -4.863 28.478 3.886 6 HB2 SER 2 1HB SER 2 -5.046 27.128 1.899 7 HB3 SER 2 2HB SER 2 -3.462 27.902 1.881 8 HG SER 2 HG SER 2 -4.112 25.214 2.445 9 H SER 3 H SER 3 -6.625 26.736 3.502 10 HA SER 3 HA SER 3 -7.324 25.557 5.854 11 HB2 SER 3 1HB SER 3 -7.992 24.610 3.058 12 HB3 SER 3 2HB SER 3 -8.818 24.062 4.516 13 HG SER 3 HG SER 3 -8.775 26.653 3.385 14 H GLY 4 H GLY 4 -6.402 24.050 7.065 15 HA2 GLY 4 1HA GLY 4 -4.208 22.545 6.552 16 HA3 GLY 4 2HA GLY 4 -5.478 22.012 7.645 17 H SER 5 H SER 5 -3.649 20.762 5.458 18 HA SER 5 HA SER 5 -5.412 19.705 3.499 19 HB2 SER 5 1HB SER 5 -2.879 19.865 3.338 20 HB3 SER 5 2HB SER 5 -2.812 18.456 4.395 21 HG SER 5 HG SER 5 -3.074 18.451 1.802 22 H SER 6 H SER 6 -6.744 18.008 3.564 23 HA SER 6 HA SER 6 -6.802 16.410 6.027 24 HB2 SER 6 1HB SER 6 -8.867 17.667 5.335 25 HB3 SER 6 2HB SER 6 -8.952 16.633 3.910 26 HG SER 6 HG SER 6 -9.888 15.211 5.121 27 H GLY 7 H GLY 7 -5.431 14.730 5.719 28 HA2 GLY 7 1HA GLY 7 -6.243 12.564 4.105 29 HA3 GLY 7 2HA GLY 7 -4.925 13.409 3.306 30 H GLN 8 H GLN 8 -5.569 12.628 6.721 31 HA GLN 8 HA GLN 8 -2.827 11.934 7.162 32 HB2 GLN 8 1HB GLN 8 -4.467 12.946 8.850 33 HB3 GLN 8 2HB GLN 8 -5.113 11.319 9.024 34 HG2 GLN 8 1HG GLN 8 -3.211 10.524 10.042 35 HG3 GLN 8 2HG GLN 8 -2.186 11.778 9.346 36 HE21 GLN 8 1HE2 GLN 8 -5.152 11.756 11.299 37 HE22 GLN 8 2HE2 GLN 8 -4.563 12.834 12.513 38 H CYS 9 H CYS 9 -1.939 9.919 7.579 39 HA CYS 9 HA CYS 9 -3.319 7.703 6.311 40 HB2 CYS 9 1HB CYS 9 -1.020 7.967 5.701 41 HB3 CYS 9 2HB CYS 9 -0.517 8.037 7.387 42 H GLY 10 H GLY 10 -4.793 6.721 7.563 43 HA2 GLY 10 1HA GLY 10 -5.030 6.618 10.272 44 HA3 GLY 10 2HA GLY 10 -5.553 5.309 9.222 45 H ALA 11 H ALA 11 -3.004 4.508 8.286 46 HA ALA 11 HA ALA 11 -2.266 2.630 10.180 47 HB1 ALA 11 1HB ALA 11 -0.347 3.735 8.148 48 HB2 ALA 11 2HB ALA 11 -0.439 2.096 8.795 49 HB3 ALA 11 3HB ALA 11 -1.695 2.687 7.707 50 H CYS 12 H CYS 12 -0.340 5.504 9.290 51 HA CYS 12 HA CYS 12 0.718 5.517 12.042 52 HB2 CYS 12 1HB CYS 12 2.805 6.405 11.176 53 HB3 CYS 12 2HB CYS 12 2.414 4.906 10.340 54 H GLY 13 H GLY 13 -0.078 7.556 9.242 55 HA2 GLY 13 1HA GLY 13 -1.309 9.559 9.344 56 HA3 GLY 13 2HA GLY 13 -1.023 9.621 11.077 57 H GLU 14 H GLU 14 1.369 9.225 8.500 58 HA GLU 14 HA GLU 14 3.000 11.300 9.617 59 HB2 GLU 14 1HB GLU 14 3.224 9.412 7.315 60 HB3 GLU 14 2HB GLU 14 4.266 10.827 7.343 61 HG2 GLU 14 1HG GLU 14 4.099 9.082 9.752 62 HG3 GLU 14 2HG GLU 14 5.067 8.574 8.370 63 H SER 15 H SER 15 3.907 13.050 8.193 64 HA SER 15 HA SER 15 1.689 14.497 7.004 65 HB2 SER 15 1HB SER 15 3.031 15.798 8.484 66 HB3 SER 15 2HB SER 15 4.523 15.272 7.705 67 HG SER 15 HG SER 15 4.310 16.922 6.441 68 H TYR 16 H TYR 16 1.718 15.395 4.909 69 HA TYR 16 HA TYR 16 2.344 13.774 2.822 70 HB2 TYR 16 1HB TYR 16 0.999 15.925 2.771 71 HB3 TYR 16 2HB TYR 16 2.529 16.780 2.613 72 HD1 TYR 16 2HD TYR 16 4.096 15.636 0.689 73 HD2 TYR 16 1HD TYR 16 -0.157 15.603 0.810 74 HE1 TYR 16 2HE TYR 16 4.035 15.303 -1.747 75 HE2 TYR 16 1HE TYR 16 -0.230 15.268 -1.625 76 HH TYR 16 HH TYR 16 1.452 14.232 -3.391 77 H ALA 17 H ALA 17 4.076 13.286 1.586 78 HA ALA 17 HA ALA 17 6.536 14.835 1.873 79 HB1 ALA 17 1HB ALA 17 7.617 13.330 3.091 80 HB2 ALA 17 2HB ALA 17 6.131 12.388 3.218 81 HB3 ALA 17 3HB ALA 17 7.262 12.076 1.902 82 H ALA 18 H ALA 18 7.965 14.647 0.133 83 HA ALA 18 HA ALA 18 6.760 14.036 -2.369 84 HB1 ALA 18 1HB ALA 18 9.383 15.069 -1.460 85 HB2 ALA 18 2HB ALA 18 9.307 14.355 -3.071 86 HB3 ALA 18 3HB ALA 18 8.262 15.714 -2.659 87 H ASP 19 H ASP 19 9.207 12.440 -0.376 88 HA ASP 19 HA ASP 19 9.357 10.231 -2.286 89 HB2 ASP 19 1HB ASP 19 11.423 11.287 -1.221 90 HB3 ASP 19 2HB ASP 19 10.926 10.501 0.276 91 H GLU 20 H GLU 20 7.265 9.372 -1.915 92 HA GLU 20 HA GLU 20 7.182 7.396 0.135 93 HB2 GLU 20 1HB GLU 20 5.497 9.867 0.426 94 HB3 GLU 20 2HB GLU 20 4.949 8.324 1.065 95 HG2 GLU 20 1HG GLU 20 7.335 8.313 2.171 96 HG3 GLU 20 2HG GLU 20 7.194 10.056 1.948 97 H PHE 21 H PHE 21 6.099 5.713 -0.650 98 HA PHE 21 HA PHE 21 4.407 6.118 -2.999 99 HB2 PHE 21 1HB PHE 21 5.863 4.426 -3.550 100 HB3 PHE 21 2HB PHE 21 5.970 3.835 -1.895 101 HD1 PHE 21 1HD PHE 21 3.146 4.320 -4.288 102 HD2 PHE 21 2HD PHE 21 5.292 1.652 -1.759 103 HE1 PHE 21 1HE PHE 21 1.551 2.527 -4.832 104 HE2 PHE 21 2HE PHE 21 3.702 -0.145 -2.299 105 HZ PHE 21 HZ PHE 21 1.829 0.290 -3.838 106 H TRP 22 H TRP 22 2.313 6.390 -2.630 107 HA TRP 22 HA TRP 22 1.076 5.260 -0.251 108 HB2 TRP 22 1HB TRP 22 -0.098 7.041 -2.398 109 HB3 TRP 22 2HB TRP 22 -0.880 6.600 -0.882 110 HD1 TRP 22 HD TRP 22 2.351 8.436 -2.018 111 HE1 TRP 22 1HE TRP 22 2.817 10.324 -0.332 112 HE3 TRP 22 3HE TRP 22 -1.461 7.548 1.270 113 HZ2 TRP 22 2HZ TRP 22 1.715 11.307 2.074 114 HZ3 TRP 22 3HZ TRP 22 -1.685 9.007 3.238 115 HH2 TRP 22 HH TRP 22 -0.129 10.847 3.630 116 H ILE 23 H ILE 23 -0.767 3.914 -0.303 117 HA ILE 23 HA ILE 23 -0.911 2.248 -2.716 118 HB ILE 23 HB ILE 23 -1.797 0.491 -1.351 119 HG12 ILE 23 1HG1 ILE 23 -1.579 2.029 1.184 120 HG13 ILE 23 2HG1 ILE 23 -2.965 2.377 0.156 121 HG21 ILE 23 1HG2 ILE 23 0.379 0.124 -0.998 122 HG22 ILE 23 2HG2 ILE 23 0.701 1.823 -0.660 123 HG23 ILE 23 3HG2 ILE 23 0.092 0.771 0.617 124 HD11 ILE 23 1HD1 ILE 23 -3.054 0.534 2.028 125 HD12 ILE 23 2HD1 ILE 23 -3.899 0.331 0.494 126 HD13 ILE 23 3HD1 ILE 23 -2.346 -0.461 0.757 127 H CYS 24 H CYS 24 -3.018 1.404 -3.358 128 HA CYS 24 HA CYS 24 -5.141 3.391 -2.907 129 HB2 CYS 24 1HB CYS 24 -4.719 1.524 -5.251 130 HB3 CYS 24 2HB CYS 24 -6.053 2.659 -5.085 131 HG CYS 24 HG CYS 24 -2.749 3.426 -5.508 132 H CYS 25 H CYS 25 -7.012 2.782 -2.014 133 HA CYS 25 HA CYS 25 -7.462 -0.103 -1.612 134 HB2 CYS 25 1HB CYS 25 -6.985 1.230 0.458 135 HB3 CYS 25 2HB CYS 25 -8.452 2.151 0.143 136 H ASP 26 H ASP 26 -9.126 -0.907 -2.688 137 HA ASP 26 HA ASP 26 -11.076 0.840 -3.911 138 HB2 ASP 26 1HB ASP 26 -10.784 -2.171 -3.965 139 HB3 ASP 26 2HB ASP 26 -11.957 -1.259 -4.910 140 H LEU 27 H LEU 27 -11.140 0.845 -1.072 141 HA LEU 27 HA LEU 27 -13.870 -0.151 -0.657 142 HB2 LEU 27 1HB LEU 27 -11.488 -0.545 1.125 143 HB3 LEU 27 2HB LEU 27 -13.133 -0.595 1.756 144 HG LEU 27 HG LEU 27 -13.377 -2.385 -0.221 145 HD11 LEU 27 1HD1 LEU 27 -11.419 -2.928 -1.117 146 HD12 LEU 27 2HD1 LEU 27 -10.992 -3.646 0.436 147 HD13 LEU 27 3HD1 LEU 27 -10.533 -1.981 0.080 148 HD21 LEU 27 1HD2 LEU 27 -13.036 -2.425 2.614 149 HD22 LEU 27 2HD2 LEU 27 -12.239 -3.834 1.914 150 HD23 LEU 27 3HD2 LEU 27 -13.946 -3.534 1.589 151 H CYS 28 H CYS 28 -11.443 1.593 1.287 152 HA CYS 28 HA CYS 28 -13.469 3.622 1.882 153 HB2 CYS 28 1HB CYS 28 -11.982 4.313 3.699 154 HB3 CYS 28 2HB CYS 28 -12.318 2.587 3.791 155 H GLU 29 H GLU 29 -10.539 3.139 0.130 156 HA GLU 29 HA GLU 29 -9.297 4.483 -1.222 157 HB2 GLU 29 1HB GLU 29 -11.905 5.969 -1.134 158 HB3 GLU 29 2HB GLU 29 -10.529 6.627 -2.007 159 HG2 GLU 29 1HG GLU 29 -10.493 4.832 -3.521 160 HG3 GLU 29 2HG GLU 29 -11.561 3.857 -2.513 161 H MET 30 H MET 30 -8.668 4.671 1.433 162 HA MET 30 HA MET 30 -8.469 7.483 2.138 163 HB2 MET 30 1HB MET 30 -7.931 4.897 3.519 164 HB3 MET 30 2HB MET 30 -7.069 6.325 4.077 165 HG2 MET 30 1HG MET 30 -9.536 7.332 4.004 166 HG3 MET 30 2HG MET 30 -9.933 5.636 4.273 167 HE1 MET 30 1HE MET 30 -8.178 4.470 7.043 168 HE2 MET 30 2HE MET 30 -9.784 4.966 7.574 169 HE3 MET 30 3HE MET 30 -9.550 4.335 5.944 170 H TRP 31 H TRP 31 -6.123 7.870 3.270 171 HA TRP 31 HA TRP 31 -4.203 7.458 1.080 172 HB2 TRP 31 1HB TRP 31 -4.099 9.566 3.244 173 HB3 TRP 31 2HB TRP 31 -3.101 9.478 1.795 174 HD1 TRP 31 HD TRP 31 -6.618 10.432 2.956 175 HE1 TRP 31 1HE TRP 31 -7.762 11.786 1.091 176 HE3 TRP 31 3HE TRP 31 -3.127 9.842 -0.732 177 HZ2 TRP 31 2HZ TRP 31 -7.252 12.508 -1.590 178 HZ3 TRP 31 3HZ TRP 31 -3.532 10.896 -2.918 179 HH2 TRP 31 HH TRP 31 -5.552 12.201 -3.336 180 H PHE 32 H PHE 32 -3.125 5.623 1.587 181 HA PHE 32 HA PHE 32 -1.832 5.519 4.233 182 HB2 PHE 32 1HB PHE 32 -2.541 3.148 2.498 183 HB3 PHE 32 2HB PHE 32 -1.919 3.110 4.145 184 HD1 PHE 32 1HD PHE 32 -3.562 5.118 5.481 185 HD2 PHE 32 2HD PHE 32 -4.637 2.183 2.593 186 HE1 PHE 32 1HE PHE 32 -5.864 5.111 6.350 187 HE2 PHE 32 2HE PHE 32 -6.941 2.172 3.456 188 HZ PHE 32 HZ PHE 32 -7.557 3.637 5.337 189 H HIS 33 H HIS 33 0.100 3.808 4.033 190 HA HIS 33 HA HIS 33 1.692 4.609 1.686 191 HB2 HIS 33 1HB HIS 33 2.706 4.154 4.500 192 HB3 HIS 33 2HB HIS 33 3.678 4.631 3.111 193 HD2 HIS 33 2HD HIS 33 2.316 7.210 1.994 194 HE1 HIS 33 1HE HIS 33 1.978 8.565 6.000 195 HE2 HIS 33 2HE HIS 33 1.845 9.208 3.568 196 H GLY 34 H GLY 34 2.998 3.069 0.732 197 HA2 GLY 34 1HA GLY 34 2.202 0.475 0.567 198 HA3 GLY 34 2HA GLY 34 3.858 0.979 0.264 199 H LYS 35 H LYS 35 5.052 1.450 2.480 200 HA LYS 35 HA LYS 35 5.477 -1.000 3.716 201 HB2 LYS 35 1HB LYS 35 6.823 0.189 5.327 202 HB3 LYS 35 2HB LYS 35 7.060 0.917 3.743 203 HG2 LYS 35 1HG LYS 35 6.815 2.806 4.968 204 HG3 LYS 35 2HG LYS 35 5.115 2.503 4.599 205 HD2 LYS 35 1HD LYS 35 5.196 2.959 6.913 206 HD3 LYS 35 2HD LYS 35 5.020 1.208 6.779 207 HE2 LYS 35 1HE LYS 35 7.496 1.018 7.028 208 HE3 LYS 35 2HE LYS 35 7.549 2.752 7.341 209 HZ1 LYS 35 1HZ LYS 35 6.128 0.713 8.966 210 HZ2 LYS 35 2HZ LYS 35 6.061 2.380 9.242 211 HZ3 LYS 35 3HZ LYS 35 7.528 1.554 9.407 212 H CYS 36 H CYS 36 3.381 1.674 4.668 213 HA CYS 36 HA CYS 36 2.669 0.729 7.213 214 HB2 CYS 36 1HB CYS 36 1.356 2.570 5.237 215 HB3 CYS 36 2HB CYS 36 0.516 2.109 6.714 216 H VAL 37 H VAL 37 1.186 0.204 4.035 217 HA VAL 37 HA VAL 37 -0.870 -1.506 5.113 218 HB VAL 37 HB VAL 37 -1.118 -0.047 3.046 219 HG11 VAL 37 1HG1 VAL 37 0.577 -2.255 1.901 220 HG12 VAL 37 2HG1 VAL 37 -0.434 -1.198 0.914 221 HG13 VAL 37 3HG1 VAL 37 0.887 -0.520 1.867 222 HG21 VAL 37 1HG2 VAL 37 -2.115 -2.324 1.838 223 HG22 VAL 37 2HG2 VAL 37 -2.066 -2.747 3.550 224 HG23 VAL 37 3HG2 VAL 37 -2.953 -1.318 3.020 225 H LYS 38 H LYS 38 2.184 -2.090 5.155 226 HA LYS 38 HA LYS 38 3.508 -3.939 5.141 227 HB2 LYS 38 1HB LYS 38 0.781 -5.210 5.071 228 HB3 LYS 38 2HB LYS 38 2.245 -6.184 5.051 229 HG2 LYS 38 1HG LYS 38 1.818 -4.121 7.173 230 HG3 LYS 38 2HG LYS 38 1.080 -5.719 7.299 231 HD2 LYS 38 1HD LYS 38 4.021 -5.337 6.794 232 HD3 LYS 38 2HD LYS 38 3.343 -5.401 8.423 233 HE2 LYS 38 1HE LYS 38 2.827 -7.553 6.391 234 HE3 LYS 38 2HE LYS 38 4.248 -7.575 7.434 235 HZ1 LYS 38 1HZ LYS 38 1.777 -8.564 8.047 236 HZ2 LYS 38 2HZ LYS 38 1.847 -7.108 8.905 237 HZ3 LYS 38 3HZ LYS 38 3.039 -8.286 9.139 238 H ILE 39 H ILE 39 3.304 -2.613 2.738 239 HA ILE 39 HA ILE 39 3.726 -4.818 0.859 240 HB ILE 39 HB ILE 39 2.034 -2.389 0.261 241 HG12 ILE 39 1HG1 ILE 39 1.347 -5.334 0.174 242 HG13 ILE 39 2HG1 ILE 39 0.915 -4.247 1.489 243 HG21 ILE 39 1HG2 ILE 39 3.640 -3.119 -1.559 244 HG22 ILE 39 2HG2 ILE 39 2.707 -4.613 -1.646 245 HG23 ILE 39 3HG2 ILE 39 1.932 -3.068 -1.995 246 HD11 ILE 39 1HD1 ILE 39 -0.040 -4.130 -1.358 247 HD12 ILE 39 2HD1 ILE 39 -0.984 -4.520 0.081 248 HD13 ILE 39 3HD1 ILE 39 -0.364 -2.886 -0.151 249 H THR 40 H THR 40 5.308 -4.459 -0.663 250 HA THR 40 HA THR 40 7.022 -2.149 -0.155 251 HB THR 40 HB THR 40 8.601 -3.430 -1.733 252 HG1 THR 40 1HG THR 40 6.562 -4.891 -2.168 253 HG21 THR 40 1HG2 THR 40 8.201 -3.523 0.998 254 HG22 THR 40 2HG2 THR 40 9.603 -4.153 0.134 255 HG23 THR 40 3HG2 THR 40 8.260 -5.223 0.535 256 HA PRO 41 HA PRO 41 6.072 -0.016 -3.873 257 HB2 PRO 41 1HB PRO 41 8.492 1.015 -4.543 258 HB3 PRO 41 2HB PRO 41 7.537 1.612 -3.181 259 HG2 PRO 41 1HG PRO 41 9.852 -0.285 -3.182 260 HG3 PRO 41 2HG PRO 41 9.511 1.062 -2.081 261 HD2 PRO 41 1HD PRO 41 9.001 -1.517 -1.430 262 HD3 PRO 41 2HD PRO 41 8.008 -0.169 -0.840 263 H ALA 42 H ALA 42 8.082 -2.725 -3.860 264 HA ALA 42 HA ALA 42 8.518 -2.689 -6.752 265 HB1 ALA 42 1HB ALA 42 10.142 -3.508 -4.748 266 HB2 ALA 42 2HB ALA 42 9.405 -5.037 -5.227 267 HB3 ALA 42 3HB ALA 42 10.265 -4.062 -6.418 268 H ARG 43 H ARG 43 6.909 -4.606 -4.247 269 HA ARG 43 HA ARG 43 5.837 -6.501 -6.114 270 HB2 ARG 43 1HB ARG 43 6.248 -7.226 -3.855 271 HB3 ARG 43 2HB ARG 43 5.227 -5.948 -3.209 272 HG2 ARG 43 1HG ARG 43 3.354 -7.080 -4.590 273 HG3 ARG 43 2HG ARG 43 4.442 -8.469 -4.602 274 HD2 ARG 43 1HD ARG 43 3.713 -7.055 -2.056 275 HD3 ARG 43 2HD ARG 43 2.694 -8.325 -2.732 276 HE ARG 43 HE ARG 43 5.061 -9.545 -2.662 277 HH11 ARG 43 2HH1 ARG 43 3.423 -7.615 -0.273 278 HH12 ARG 43 1HH1 ARG 43 4.128 -8.447 1.073 279 HH21 ARG 43 2HH2 ARG 43 5.996 -10.649 -0.898 280 HH22 ARG 43 1HH2 ARG 43 5.592 -10.172 0.716 281 H ALA 44 H ALA 44 4.722 -3.556 -4.571 282 HA ALA 44 HA ALA 44 2.035 -3.575 -4.850 283 HB1 ALA 44 1HB ALA 44 4.089 -1.492 -5.016 284 HB2 ALA 44 2HB ALA 44 2.562 -1.078 -5.797 285 HB3 ALA 44 3HB ALA 44 2.585 -1.537 -4.095 286 H GLU 45 H GLU 45 4.371 -3.143 -7.468 287 HA GLU 45 HA GLU 45 2.785 -2.397 -9.559 288 HB2 GLU 45 1HB GLU 45 5.006 -4.447 -9.589 289 HB3 GLU 45 2HB GLU 45 4.324 -3.697 -11.025 290 HG2 GLU 45 1HG GLU 45 5.525 -2.074 -8.810 291 HG3 GLU 45 2HG GLU 45 6.500 -2.747 -10.115 292 H HIS 46 H HIS 46 3.143 -5.652 -8.224 293 HA HIS 46 HA HIS 46 1.411 -6.867 -10.154 294 HB2 HIS 46 1HB HIS 46 2.443 -7.859 -7.490 295 HB3 HIS 46 2HB HIS 46 1.521 -8.840 -8.625 296 HD1 HIS 46 1HD HIS 46 2.788 -9.908 -10.521 297 HD2 HIS 46 2HD HIS 46 5.059 -7.122 -8.438 298 HE1 HIS 46 1HE HIS 46 5.131 -10.162 -11.396 299 HE2 HIS 46 2HE HIS 46 6.504 -8.525 -10.061 300 H ILE 47 H ILE 47 1.054 -5.668 -6.854 301 HA ILE 47 HA ILE 47 -1.605 -6.598 -6.487 302 HB ILE 47 HB ILE 47 -0.162 -4.337 -5.098 303 HG12 ILE 47 1HG1 ILE 47 -0.589 -7.191 -4.193 304 HG13 ILE 47 2HG1 ILE 47 0.900 -6.602 -4.924 305 HG21 ILE 47 1HG2 ILE 47 -1.909 -4.087 -3.690 306 HG22 ILE 47 2HG2 ILE 47 -2.822 -4.718 -5.060 307 HG23 ILE 47 3HG2 ILE 47 -2.341 -5.796 -3.750 308 HD11 ILE 47 1HD1 ILE 47 1.298 -6.577 -2.627 309 HD12 ILE 47 2HD1 ILE 47 0.950 -4.897 -3.036 310 HD13 ILE 47 3HD1 ILE 47 -0.287 -5.893 -2.269 311 H LYS 48 H LYS 48 -3.444 -5.829 -7.277 312 HA LYS 48 HA LYS 48 -3.423 -3.195 -8.575 313 HB2 LYS 48 1HB LYS 48 -4.133 -5.448 -9.728 314 HB3 LYS 48 2HB LYS 48 -5.655 -5.164 -8.893 315 HG2 LYS 48 1HG LYS 48 -4.341 -3.210 -10.770 316 HG3 LYS 48 2HG LYS 48 -5.633 -4.327 -11.215 317 HD2 LYS 48 1HD LYS 48 -7.117 -3.281 -9.589 318 HD3 LYS 48 2HD LYS 48 -5.822 -2.189 -9.092 319 HE2 LYS 48 1HE LYS 48 -5.745 -1.413 -11.504 320 HE3 LYS 48 2HE LYS 48 -7.251 -2.299 -11.738 321 HZ1 LYS 48 1HZ LYS 48 -8.023 -0.924 -9.707 322 HZ2 LYS 48 2HZ LYS 48 -7.989 -0.196 -11.233 323 HZ3 LYS 48 3HZ LYS 48 -6.749 0.109 -10.123 324 H GLN 49 H GLN 49 -5.790 -5.215 -6.823 325 HA GLN 49 HA GLN 49 -6.741 -2.761 -5.497 326 HB2 GLN 49 1HB GLN 49 -8.957 -3.954 -5.332 327 HB3 GLN 49 2HB GLN 49 -8.475 -3.481 -6.956 328 HG2 GLN 49 1HG GLN 49 -7.910 -6.229 -5.913 329 HG3 GLN 49 2HG GLN 49 -9.480 -5.812 -6.599 330 HE21 GLN 49 1HE2 GLN 49 -6.749 -7.298 -7.329 331 HE22 GLN 49 2HE2 GLN 49 -6.621 -6.953 -9.017 332 H TYR 50 H TYR 50 -5.343 -3.058 -3.729 333 HA TYR 50 HA TYR 50 -5.536 -5.508 -2.183 334 HB2 TYR 50 1HB TYR 50 -3.345 -4.514 -2.370 335 HB3 TYR 50 2HB TYR 50 -3.944 -2.970 -1.773 336 HD1 TYR 50 2HD TYR 50 -4.552 -2.718 0.611 337 HD2 TYR 50 1HD TYR 50 -2.775 -6.289 -0.870 338 HE1 TYR 50 2HE TYR 50 -3.987 -3.384 2.910 339 HE2 TYR 50 1HE TYR 50 -2.206 -6.965 1.425 340 HH TYR 50 HH TYR 50 -3.536 -5.563 4.136 341 H LYS 51 H LYS 51 -6.212 -5.590 0.000 342 HA LYS 51 HA LYS 51 -8.308 -3.643 0.618 343 HB2 LYS 51 1HB LYS 51 -8.857 -6.074 0.585 344 HB3 LYS 51 2HB LYS 51 -7.741 -6.311 1.923 345 HG2 LYS 51 1HG LYS 51 -9.093 -4.961 3.369 346 HG3 LYS 51 2HG LYS 51 -10.148 -4.507 2.029 347 HD2 LYS 51 1HD LYS 51 -10.619 -7.001 1.776 348 HD3 LYS 51 2HD LYS 51 -9.856 -7.190 3.357 349 HE2 LYS 51 1HE LYS 51 -11.496 -5.400 4.158 350 HE3 LYS 51 2HE LYS 51 -12.359 -5.687 2.648 351 HZ1 LYS 51 1HZ LYS 51 -11.933 -7.541 4.905 352 HZ2 LYS 51 2HZ LYS 51 -12.314 -8.123 3.363 353 HZ3 LYS 51 3HZ LYS 51 -13.386 -7.089 4.166 354 H CYS 52 H CYS 52 -7.251 -1.930 1.537 355 HA CYS 52 HA CYS 52 -5.097 -1.747 3.124 356 HB2 CYS 52 1HB CYS 52 -5.890 0.295 3.900 357 HB3 CYS 52 2HB CYS 52 -6.845 0.061 2.440 358 HA PRO 53 HA PRO 53 -5.632 -3.921 6.896 359 HB2 PRO 53 1HB PRO 53 -4.359 -2.297 8.661 360 HB3 PRO 53 2HB PRO 53 -3.502 -3.263 7.453 361 HG2 PRO 53 1HG PRO 53 -4.239 -0.363 7.383 362 HG3 PRO 53 2HG PRO 53 -2.720 -1.143 6.905 363 HD2 PRO 53 1HD PRO 53 -4.596 -0.383 5.106 364 HD3 PRO 53 2HD PRO 53 -3.554 -1.799 4.859 365 H SER 54 H SER 54 -6.965 -0.798 6.485 366 HA SER 54 HA SER 54 -8.280 -0.734 9.069 367 HB2 SER 54 1HB SER 54 -7.537 1.378 8.110 368 HB3 SER 54 2HB SER 54 -8.507 1.094 6.665 369 HG SER 54 HG SER 54 -9.295 2.405 8.697 370 H CYS 55 H CYS 55 -8.910 -1.872 5.892 371 HA CYS 55 HA CYS 55 -11.794 -2.002 6.340 372 HB2 CYS 55 1HB CYS 55 -10.033 -2.512 3.952 373 HB3 CYS 55 2HB CYS 55 -11.716 -3.028 3.975 374 H SER 56 H SER 56 -9.022 -4.137 5.793 375 HA SER 56 HA SER 56 -10.458 -6.563 5.859 376 HB2 SER 56 1HB SER 56 -8.350 -6.876 4.983 377 HB3 SER 56 2HB SER 56 -7.591 -5.781 6.138 378 HG SER 56 HG SER 56 -7.839 -7.391 7.726 379 H ASN 57 H ASN 57 -9.430 -4.406 8.339 380 HA ASN 57 HA ASN 57 -9.823 -6.412 10.430 381 HB2 ASN 57 1HB ASN 57 -7.904 -4.625 10.332 382 HB3 ASN 57 2HB ASN 57 -9.135 -3.549 10.988 383 HD21 ASN 57 1HD2 ASN 57 -8.409 -3.275 13.010 384 HD22 ASN 57 2HD2 ASN 57 -8.189 -4.548 14.157 385 H LYS 58 H LYS 58 -12.103 -5.690 8.944 386 HA LYS 58 HA LYS 58 -13.897 -5.044 11.041 387 HB2 LYS 58 1HB LYS 58 -14.634 -2.903 10.488 388 HB3 LYS 58 2HB LYS 58 -12.888 -2.775 10.323 389 HG2 LYS 58 1HG LYS 58 -13.139 -3.124 7.884 390 HG3 LYS 58 2HG LYS 58 -14.891 -3.106 8.100 391 HD2 LYS 58 1HD LYS 58 -14.389 -0.824 9.309 392 HD3 LYS 58 2HD LYS 58 -12.921 -0.880 8.331 393 HE2 LYS 58 1HE LYS 58 -14.378 0.268 6.954 394 HE3 LYS 58 2HE LYS 58 -14.555 -1.388 6.378 395 HZ1 LYS 58 1HZ LYS 58 -16.494 -1.522 7.982 396 HZ2 LYS 58 2HZ LYS 58 -16.720 -0.581 6.595 397 HZ3 LYS 58 3HZ LYS 58 -16.407 0.164 8.081 398 H SER 59 H SER 59 -15.604 -6.262 10.612 399 HA SER 59 HA SER 59 -16.111 -7.158 7.900 400 HB2 SER 59 1HB SER 59 -17.867 -8.579 9.009 401 HB3 SER 59 2HB SER 59 -16.232 -8.844 9.613 402 HG SER 59 HG SER 59 -17.501 -8.644 11.394 403 H GLY 60 H GLY 60 -18.027 -5.618 10.488 404 HA2 GLY 60 1HA GLY 60 -19.482 -3.787 10.187 405 HA3 GLY 60 2HA GLY 60 -19.443 -4.070 8.453 406 HA PRO 61 HA PRO 61 -23.544 -5.542 9.941 407 HB2 PRO 61 1HB PRO 61 -24.904 -4.602 7.788 408 HB3 PRO 61 2HB PRO 61 -24.533 -3.605 9.200 409 HG2 PRO 61 1HG PRO 61 -23.130 -3.745 6.559 410 HG3 PRO 61 2HG PRO 61 -23.552 -2.321 7.528 411 HD2 PRO 61 1HD PRO 61 -21.060 -3.379 7.502 412 HD3 PRO 61 2HD PRO 61 -21.746 -2.588 8.935 413 H SER 62 H SER 62 -22.991 -7.716 9.633 414 HA SER 62 HA SER 62 -22.951 -8.756 6.905 415 HB2 SER 62 1HB SER 62 -22.010 -10.729 7.784 416 HB3 SER 62 2HB SER 62 -21.292 -9.444 8.756 417 HG SER 62 HG SER 62 -21.990 -10.896 10.220 418 H SER 63 H SER 63 -24.415 -10.241 6.111 419 HA SER 63 HA SER 63 -26.795 -10.749 7.770 420 HB2 SER 63 1HB SER 63 -26.760 -10.003 4.835 421 HB3 SER 63 2HB SER 63 -28.195 -10.469 5.748 422 HG SER 63 HG SER 63 -27.858 -8.644 7.071 423 H GLY 64 H GLY 64 -26.066 -12.841 8.248 424 HA2 GLY 64 1HA GLY 64 -26.726 -15.095 7.599 425 HA3 GLY 64 2HA GLY 64 -26.225 -14.701 5.961 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -11.247 30.589 10.110 2 HA2 GLY 1 1HA GLY 1 -10.383 28.429 10.333 3 HA3 GLY 1 2HA GLY 1 -12.019 27.820 10.533 4 H SER 2 H SER 2 -9.441 28.385 8.348 5 HA SER 2 HA SER 2 -10.938 28.094 5.930 6 HB2 SER 2 1HB SER 2 -8.752 29.245 5.996 7 HB3 SER 2 2HB SER 2 -7.971 27.720 6.411 8 HG SER 2 HG SER 2 -8.314 28.591 4.034 9 H SER 3 H SER 3 -12.090 26.252 5.753 10 HA SER 3 HA SER 3 -10.902 23.700 6.485 11 HB2 SER 3 1HB SER 3 -13.651 24.313 5.372 12 HB3 SER 3 2HB SER 3 -13.118 22.763 6.023 13 HG SER 3 HG SER 3 -12.732 23.926 8.028 14 H GLY 4 H GLY 4 -9.292 23.428 4.928 15 HA2 GLY 4 1HA GLY 4 -10.271 23.081 2.162 16 HA3 GLY 4 2HA GLY 4 -8.633 23.573 2.566 17 H SER 5 H SER 5 -8.768 21.551 0.887 18 HA SER 5 HA SER 5 -9.122 18.968 1.778 19 HB2 SER 5 1HB SER 5 -8.527 19.759 -0.573 20 HB3 SER 5 2HB SER 5 -6.847 19.769 -0.037 21 HG SER 5 HG SER 5 -7.560 17.784 -1.063 22 H SER 6 H SER 6 -7.574 17.334 2.431 23 HA SER 6 HA SER 6 -5.012 18.024 3.450 24 HB2 SER 6 1HB SER 6 -6.546 19.065 5.169 25 HB3 SER 6 2HB SER 6 -7.096 17.436 5.561 26 HG SER 6 HG SER 6 -5.466 17.687 6.936 27 H GLY 7 H GLY 7 -4.004 16.230 2.816 28 HA2 GLY 7 1HA GLY 7 -5.352 13.647 3.022 29 HA3 GLY 7 2HA GLY 7 -3.845 13.969 2.178 30 H GLN 8 H GLN 8 -5.154 12.466 4.797 31 HA GLN 8 HA GLN 8 -2.545 12.384 6.141 32 HB2 GLN 8 1HB GLN 8 -5.195 13.062 7.310 33 HB3 GLN 8 2HB GLN 8 -4.115 12.065 8.275 34 HG2 GLN 8 1HG GLN 8 -2.492 13.737 8.401 35 HG3 GLN 8 2HG GLN 8 -3.192 14.641 7.060 36 HE21 GLN 8 1HE2 GLN 8 -2.972 14.371 10.381 37 HE22 GLN 8 2HE2 GLN 8 -4.268 15.427 10.819 38 H CYS 9 H CYS 9 -1.812 10.375 6.128 39 HA CYS 9 HA CYS 9 -3.306 8.137 5.364 40 HB2 CYS 9 1HB CYS 9 -0.970 7.994 5.077 41 HB3 CYS 9 2HB CYS 9 -0.652 8.446 6.749 42 H GLY 10 H GLY 10 -4.716 6.910 6.424 43 HA2 GLY 10 1HA GLY 10 -5.562 7.429 9.038 44 HA3 GLY 10 2HA GLY 10 -5.928 5.969 8.130 45 H ALA 11 H ALA 11 -3.344 4.944 7.824 46 HA ALA 11 HA ALA 11 -3.015 3.457 10.136 47 HB1 ALA 11 1HB ALA 11 -0.483 3.578 8.935 48 HB2 ALA 11 2HB ALA 11 -1.730 2.353 8.703 49 HB3 ALA 11 3HB ALA 11 -1.655 3.749 7.628 50 H CYS 12 H CYS 12 -0.883 6.102 9.032 51 HA CYS 12 HA CYS 12 -0.224 6.609 11.860 52 HB2 CYS 12 1HB CYS 12 2.019 7.211 11.216 53 HB3 CYS 12 2HB CYS 12 1.661 5.621 10.550 54 H GLY 13 H GLY 13 -0.507 8.059 8.631 55 HA2 GLY 13 1HA GLY 13 -1.493 10.091 8.076 56 HA3 GLY 13 2HA GLY 13 -1.697 10.429 9.789 57 H GLU 14 H GLU 14 1.213 9.711 7.873 58 HA GLU 14 HA GLU 14 2.634 11.858 9.160 59 HB2 GLU 14 1HB GLU 14 3.345 9.776 7.120 60 HB3 GLU 14 2HB GLU 14 4.430 11.126 7.422 61 HG2 GLU 14 1HG GLU 14 3.431 9.454 9.687 62 HG3 GLU 14 2HG GLU 14 4.777 8.905 8.690 63 H SER 15 H SER 15 4.113 13.194 7.554 64 HA SER 15 HA SER 15 2.317 14.882 6.101 65 HB2 SER 15 1HB SER 15 5.214 14.926 6.793 66 HB3 SER 15 2HB SER 15 4.689 15.903 5.423 67 HG SER 15 HG SER 15 4.040 16.134 8.136 68 H TYR 16 H TYR 16 2.753 15.579 3.849 69 HA TYR 16 HA TYR 16 2.750 13.340 2.107 70 HB2 TYR 16 1HB TYR 16 1.602 15.647 1.825 71 HB3 TYR 16 2HB TYR 16 3.152 16.169 1.174 72 HD1 TYR 16 1HD TYR 16 0.249 13.979 0.636 73 HD2 TYR 16 2HD TYR 16 3.904 15.429 -0.991 74 HE1 TYR 16 1HE TYR 16 -0.381 13.081 -1.565 75 HE2 TYR 16 2HE TYR 16 3.283 14.536 -3.197 76 HH TYR 16 HH TYR 16 1.326 13.873 -4.431 77 H ALA 17 H ALA 17 4.375 12.343 1.117 78 HA ALA 17 HA ALA 17 6.947 13.749 0.848 79 HB1 ALA 17 1HB ALA 17 6.466 11.614 2.572 80 HB2 ALA 17 2HB ALA 17 7.312 10.909 1.194 81 HB3 ALA 17 3HB ALA 17 8.035 12.252 2.079 82 H ALA 18 H ALA 18 8.062 13.407 -1.029 83 HA ALA 18 HA ALA 18 6.574 12.304 -3.232 84 HB1 ALA 18 1HB ALA 18 9.254 12.929 -3.974 85 HB2 ALA 18 2HB ALA 18 7.763 13.778 -4.385 86 HB3 ALA 18 3HB ALA 18 8.642 14.201 -2.916 87 H ASP 19 H ASP 19 9.549 11.487 -1.491 88 HA ASP 19 HA ASP 19 10.042 9.160 -3.121 89 HB2 ASP 19 1HB ASP 19 11.793 10.631 -1.921 90 HB3 ASP 19 2HB ASP 19 11.356 9.728 -0.474 91 H GLU 20 H GLU 20 7.509 8.946 -2.152 92 HA GLU 20 HA GLU 20 7.738 6.576 -0.470 93 HB2 GLU 20 1HB GLU 20 6.156 9.032 0.245 94 HB3 GLU 20 2HB GLU 20 5.698 7.445 0.847 95 HG2 GLU 20 1HG GLU 20 8.402 8.696 1.258 96 HG3 GLU 20 2HG GLU 20 7.078 8.774 2.419 97 H PHE 21 H PHE 21 6.280 5.017 -0.962 98 HA PHE 21 HA PHE 21 4.465 5.586 -3.188 99 HB2 PHE 21 1HB PHE 21 5.648 3.741 -3.856 100 HB3 PHE 21 2HB PHE 21 5.890 3.167 -2.209 101 HD1 PHE 21 1HD PHE 21 3.116 3.684 -4.650 102 HD2 PHE 21 2HD PHE 21 4.778 1.269 -1.564 103 HE1 PHE 21 1HE PHE 21 1.305 2.047 -4.960 104 HE2 PHE 21 2HE PHE 21 2.970 -0.372 -1.869 105 HZ PHE 21 HZ PHE 21 1.231 0.016 -3.570 106 H TRP 22 H TRP 22 2.313 5.542 -2.982 107 HA TRP 22 HA TRP 22 1.215 4.759 -0.368 108 HB2 TRP 22 1HB TRP 22 -0.050 6.546 -2.455 109 HB3 TRP 22 2HB TRP 22 -0.629 6.262 -0.816 110 HD1 TRP 22 HD TRP 22 2.830 7.402 -2.193 111 HE1 TRP 22 1HE TRP 22 3.557 9.478 -0.858 112 HE3 TRP 22 3HE TRP 22 -1.241 7.868 0.863 113 HZ2 TRP 22 2HZ TRP 22 2.540 11.099 1.217 114 HZ3 TRP 22 3HZ TRP 22 -1.286 9.708 2.496 115 HH2 TRP 22 HH TRP 22 0.567 11.289 2.668 116 H ILE 23 H ILE 23 -0.778 3.608 -0.287 117 HA ILE 23 HA ILE 23 -1.173 1.879 -2.627 118 HB ILE 23 HB ILE 23 -1.919 0.189 -1.231 119 HG12 ILE 23 1HG1 ILE 23 -2.450 0.773 1.263 120 HG13 ILE 23 2HG1 ILE 23 -2.644 2.412 0.649 121 HG21 ILE 23 1HG2 ILE 23 0.429 1.580 -0.455 122 HG22 ILE 23 2HG2 ILE 23 -0.339 0.946 0.999 123 HG23 ILE 23 3HG2 ILE 23 0.077 -0.143 -0.324 124 HD11 ILE 23 1HD1 ILE 23 -4.571 1.926 -0.418 125 HD12 ILE 23 2HD1 ILE 23 -4.076 0.276 -0.798 126 HD13 ILE 23 3HD1 ILE 23 -4.650 0.673 0.821 127 H CYS 24 H CYS 24 -3.368 1.218 -3.165 128 HA CYS 24 HA CYS 24 -5.308 3.371 -2.637 129 HB2 CYS 24 1HB CYS 24 -5.021 1.586 -5.062 130 HB3 CYS 24 2HB CYS 24 -6.330 2.736 -4.820 131 HG CYS 24 HG CYS 24 -3.993 3.435 -6.597 132 H CYS 25 H CYS 25 -6.817 2.758 -1.244 133 HA CYS 25 HA CYS 25 -7.507 -0.049 -0.949 134 HB2 CYS 25 1HB CYS 25 -7.175 1.282 1.071 135 HB3 CYS 25 2HB CYS 25 -8.437 2.401 0.564 136 H ASP 26 H ASP 26 -9.793 -0.705 -0.827 137 HA ASP 26 HA ASP 26 -11.309 0.549 -2.997 138 HB2 ASP 26 1HB ASP 26 -12.679 -1.579 -2.856 139 HB3 ASP 26 2HB ASP 26 -11.003 -1.784 -3.355 140 H LEU 27 H LEU 27 -11.793 -0.696 0.299 141 HA LEU 27 HA LEU 27 -14.449 0.248 0.551 142 HB2 LEU 27 1HB LEU 27 -12.357 -0.697 2.463 143 HB3 LEU 27 2HB LEU 27 -13.834 0.044 3.077 144 HG LEU 27 HG LEU 27 -14.000 -2.256 1.171 145 HD11 LEU 27 1HD1 LEU 27 -13.883 -2.687 4.130 146 HD12 LEU 27 2HD1 LEU 27 -12.415 -2.719 3.153 147 HD13 LEU 27 3HD1 LEU 27 -13.719 -3.859 2.823 148 HD21 LEU 27 1HD2 LEU 27 -15.896 -0.684 2.235 149 HD22 LEU 27 2HD2 LEU 27 -15.792 -1.915 3.494 150 HD23 LEU 27 3HD2 LEU 27 -16.157 -2.382 1.832 151 H CYS 28 H CYS 28 -11.642 1.390 2.424 152 HA CYS 28 HA CYS 28 -12.856 3.891 3.005 153 HB2 CYS 28 1HB CYS 28 -9.894 3.519 3.175 154 HB3 CYS 28 2HB CYS 28 -10.984 4.338 4.289 155 H GLU 29 H GLU 29 -10.325 2.887 0.734 156 HA GLU 29 HA GLU 29 -9.455 3.879 -1.119 157 HB2 GLU 29 1HB GLU 29 -12.127 5.255 -0.957 158 HB3 GLU 29 2HB GLU 29 -10.976 5.628 -2.233 159 HG2 GLU 29 1HG GLU 29 -11.659 2.780 -1.770 160 HG3 GLU 29 2HG GLU 29 -12.866 3.811 -2.534 161 H MET 30 H MET 30 -8.459 4.806 1.264 162 HA MET 30 HA MET 30 -8.301 7.720 0.976 163 HB2 MET 30 1HB MET 30 -7.969 5.827 3.221 164 HB3 MET 30 2HB MET 30 -6.863 7.194 3.211 165 HG2 MET 30 1HG MET 30 -8.539 8.133 4.391 166 HG3 MET 30 2HG MET 30 -9.121 8.517 2.773 167 HE1 MET 30 1HE MET 30 -9.523 5.305 5.405 168 HE2 MET 30 2HE MET 30 -9.561 6.960 6.012 169 HE3 MET 30 3HE MET 30 -11.044 6.008 5.954 170 H TRP 31 H TRP 31 -5.915 8.382 1.931 171 HA TRP 31 HA TRP 31 -4.063 7.209 -0.022 172 HB2 TRP 31 1HB TRP 31 -3.832 9.840 1.453 173 HB3 TRP 31 2HB TRP 31 -2.799 9.277 0.141 174 HD1 TRP 31 HD TRP 31 -5.100 8.287 -1.847 175 HE1 TRP 31 1HE TRP 31 -6.555 10.038 -3.048 176 HE3 TRP 31 3HE TRP 31 -4.358 12.252 1.295 177 HZ2 TRP 31 2HZ TRP 31 -7.290 12.742 -2.709 178 HZ3 TRP 31 3HZ TRP 31 -5.473 14.385 0.785 179 HH2 TRP 31 HH TRP 31 -6.907 14.624 -1.177 180 H PHE 32 H PHE 32 -3.524 5.395 1.282 181 HA PHE 32 HA PHE 32 -2.186 5.917 3.819 182 HB2 PHE 32 1HB PHE 32 -2.755 3.283 2.443 183 HB3 PHE 32 2HB PHE 32 -2.159 3.488 4.087 184 HD1 PHE 32 1HD PHE 32 -3.755 5.354 5.386 185 HD2 PHE 32 2HD PHE 32 -4.932 2.601 2.361 186 HE1 PHE 32 1HE PHE 32 -6.070 5.438 6.215 187 HE2 PHE 32 2HE PHE 32 -7.249 2.681 3.184 188 HZ PHE 32 HZ PHE 32 -7.821 4.102 5.113 189 H HIS 33 H HIS 33 -0.206 4.283 4.111 190 HA HIS 33 HA HIS 33 1.641 4.888 1.900 191 HB2 HIS 33 1HB HIS 33 2.202 4.496 4.846 192 HB3 HIS 33 2HB HIS 33 3.440 4.736 3.617 193 HD2 HIS 33 2HD HIS 33 2.405 7.318 2.067 194 HE1 HIS 33 1HE HIS 33 1.923 9.090 5.891 195 HE2 HIS 33 2HE HIS 33 2.031 9.498 3.408 196 H GLY 34 H GLY 34 2.772 3.283 0.941 197 HA2 GLY 34 1HA GLY 34 1.927 0.672 0.943 198 HA3 GLY 34 2HA GLY 34 3.543 1.168 0.462 199 H LYS 35 H LYS 35 4.693 1.966 2.776 200 HA LYS 35 HA LYS 35 5.381 -0.477 4.001 201 HB2 LYS 35 1HB LYS 35 6.759 0.841 5.486 202 HB3 LYS 35 2HB LYS 35 6.882 1.494 3.857 203 HG2 LYS 35 1HG LYS 35 4.948 3.067 4.707 204 HG3 LYS 35 2HG LYS 35 5.630 2.662 6.284 205 HD2 LYS 35 1HD LYS 35 7.371 3.595 4.024 206 HD3 LYS 35 2HD LYS 35 6.525 4.744 5.063 207 HE2 LYS 35 1HE LYS 35 7.674 3.984 6.990 208 HE3 LYS 35 2HE LYS 35 8.296 2.566 6.147 209 HZ1 LYS 35 1HZ LYS 35 10.054 3.718 5.498 210 HZ2 LYS 35 2HZ LYS 35 9.530 5.025 6.433 211 HZ3 LYS 35 3HZ LYS 35 9.090 4.922 4.803 212 H CYS 36 H CYS 36 2.943 1.880 4.697 213 HA CYS 36 HA CYS 36 2.505 1.096 7.417 214 HB2 CYS 36 1HB CYS 36 1.178 2.903 5.460 215 HB3 CYS 36 2HB CYS 36 0.205 2.317 6.806 216 H VAL 37 H VAL 37 0.913 0.409 4.323 217 HA VAL 37 HA VAL 37 -0.988 -1.386 5.550 218 HB VAL 37 HB VAL 37 -1.904 -1.711 3.381 219 HG11 VAL 37 1HG1 VAL 37 -1.164 1.069 2.872 220 HG12 VAL 37 2HG1 VAL 37 -2.747 0.354 3.183 221 HG13 VAL 37 3HG1 VAL 37 -1.683 0.764 4.529 222 HG21 VAL 37 1HG2 VAL 37 -0.818 -0.985 1.330 223 HG22 VAL 37 2HG2 VAL 37 0.567 -0.398 2.250 224 HG23 VAL 37 3HG2 VAL 37 0.210 -2.124 2.199 225 H LYS 38 H LYS 38 2.082 -1.807 5.420 226 HA LYS 38 HA LYS 38 3.522 -3.563 5.282 227 HB2 LYS 38 1HB LYS 38 0.947 -5.146 5.371 228 HB3 LYS 38 2HB LYS 38 2.553 -5.830 5.585 229 HG2 LYS 38 1HG LYS 38 1.767 -3.579 7.348 230 HG3 LYS 38 2HG LYS 38 1.023 -5.154 7.632 231 HD2 LYS 38 1HD LYS 38 2.868 -5.425 8.929 232 HD3 LYS 38 2HD LYS 38 3.567 -5.932 7.389 233 HE2 LYS 38 1HE LYS 38 4.074 -3.357 7.161 234 HE3 LYS 38 2HE LYS 38 3.952 -3.404 8.919 235 HZ1 LYS 38 1HZ LYS 38 6.218 -3.825 7.719 236 HZ2 LYS 38 2HZ LYS 38 5.626 -5.403 7.579 237 HZ3 LYS 38 3HZ LYS 38 5.804 -4.699 9.107 238 H ILE 39 H ILE 39 3.254 -2.399 2.911 239 HA ILE 39 HA ILE 39 3.417 -4.657 1.059 240 HB ILE 39 HB ILE 39 1.748 -2.190 0.581 241 HG12 ILE 39 1HG1 ILE 39 1.074 -5.139 0.499 242 HG13 ILE 39 2HG1 ILE 39 0.645 -4.029 1.796 243 HG21 ILE 39 1HG2 ILE 39 2.890 -4.183 -1.334 244 HG22 ILE 39 2HG2 ILE 39 1.355 -3.388 -1.679 245 HG23 ILE 39 3HG2 ILE 39 2.817 -2.426 -1.461 246 HD11 ILE 39 1HD1 ILE 39 -1.258 -3.667 0.731 247 HD12 ILE 39 2HD1 ILE 39 -0.333 -2.847 -0.526 248 HD13 ILE 39 3HD1 ILE 39 -0.704 -4.564 -0.682 249 H THR 40 H THR 40 5.099 -4.518 -0.301 250 HA THR 40 HA THR 40 6.808 -2.169 -0.117 251 HB THR 40 HB THR 40 8.325 -3.658 -1.609 252 HG1 THR 40 1HG THR 40 6.884 -5.794 -0.488 253 HG21 THR 40 1HG2 THR 40 8.369 -3.192 0.969 254 HG22 THR 40 2HG2 THR 40 9.363 -4.478 0.285 255 HG23 THR 40 3HG2 THR 40 7.838 -4.869 1.080 256 HA PRO 41 HA PRO 41 5.843 -0.440 -4.035 257 HB2 PRO 41 1HB PRO 41 8.271 0.460 -4.852 258 HB3 PRO 41 2HB PRO 41 7.352 1.224 -3.550 259 HG2 PRO 41 1HG PRO 41 9.630 -0.712 -3.379 260 HG3 PRO 41 2HG PRO 41 9.334 0.755 -2.427 261 HD2 PRO 41 1HD PRO 41 8.787 -1.725 -1.489 262 HD3 PRO 41 2HD PRO 41 7.831 -0.300 -1.034 263 H ALA 42 H ALA 42 8.005 -3.080 -3.776 264 HA ALA 42 HA ALA 42 8.309 -3.398 -6.655 265 HB1 ALA 42 1HB ALA 42 9.323 -5.078 -4.365 266 HB2 ALA 42 2HB ALA 42 9.691 -5.349 -6.069 267 HB3 ALA 42 3HB ALA 42 10.239 -3.874 -5.271 268 H ARG 43 H ARG 43 6.476 -4.716 -3.992 269 HA ARG 43 HA ARG 43 5.415 -6.875 -5.638 270 HB2 ARG 43 1HB ARG 43 5.960 -7.427 -3.344 271 HB3 ARG 43 2HB ARG 43 4.939 -6.124 -2.750 272 HG2 ARG 43 1HG ARG 43 3.000 -7.321 -3.843 273 HG3 ARG 43 2HG ARG 43 4.094 -8.687 -4.065 274 HD2 ARG 43 1HD ARG 43 3.516 -7.392 -1.406 275 HD3 ARG 43 2HD ARG 43 2.678 -8.819 -2.013 276 HE ARG 43 HE ARG 43 5.223 -9.603 -2.159 277 HH11 ARG 43 2HH1 ARG 43 3.461 -8.014 0.389 278 HH12 ARG 43 1HH1 ARG 43 4.405 -8.719 1.659 279 HH21 ARG 43 2HH2 ARG 43 6.474 -10.537 -0.495 280 HH22 ARG 43 1HH2 ARG 43 6.119 -10.153 1.155 281 H ALA 44 H ALA 44 4.438 -3.814 -4.234 282 HA ALA 44 HA ALA 44 1.672 -3.998 -4.629 283 HB1 ALA 44 1HB ALA 44 3.607 -1.864 -4.101 284 HB2 ALA 44 2HB ALA 44 2.160 -1.340 -4.964 285 HB3 ALA 44 3HB ALA 44 2.012 -2.151 -3.405 286 H GLU 45 H GLU 45 4.249 -2.860 -6.778 287 HA GLU 45 HA GLU 45 2.832 -1.784 -8.849 288 HB2 GLU 45 1HB GLU 45 4.653 -2.609 -10.346 289 HB3 GLU 45 2HB GLU 45 5.231 -1.795 -8.899 290 HG2 GLU 45 1HG GLU 45 6.106 -3.694 -8.004 291 HG3 GLU 45 2HG GLU 45 4.935 -4.743 -8.801 292 H HIS 46 H HIS 46 2.807 -5.048 -7.794 293 HA HIS 46 HA HIS 46 1.626 -6.010 -10.287 294 HB2 HIS 46 1HB HIS 46 2.260 -7.552 -7.764 295 HB3 HIS 46 2HB HIS 46 1.816 -8.233 -9.326 296 HD1 HIS 46 1HD HIS 46 3.639 -8.348 -11.130 297 HD2 HIS 46 2HD HIS 46 4.912 -6.630 -7.568 298 HE1 HIS 46 1HE HIS 46 6.145 -8.221 -11.303 299 HE2 HIS 46 2HE HIS 46 6.899 -7.257 -9.102 300 H ILE 47 H ILE 47 0.798 -5.332 -6.950 301 HA ILE 47 HA ILE 47 -1.770 -6.545 -6.988 302 HB ILE 47 HB ILE 47 -0.688 -4.348 -5.221 303 HG12 ILE 47 1HG1 ILE 47 -1.074 -7.276 -4.590 304 HG13 ILE 47 2HG1 ILE 47 0.448 -6.614 -5.176 305 HG21 ILE 47 1HG2 ILE 47 -2.840 -5.966 -4.137 306 HG22 ILE 47 2HG2 ILE 47 -2.652 -4.214 -4.175 307 HG23 ILE 47 3HG2 ILE 47 -3.335 -5.057 -5.565 308 HD11 ILE 47 1HD1 ILE 47 0.625 -5.209 -3.224 309 HD12 ILE 47 2HD1 ILE 47 -0.950 -5.761 -2.653 310 HD13 ILE 47 3HD1 ILE 47 0.402 -6.890 -2.741 311 H LYS 48 H LYS 48 -3.546 -5.892 -7.989 312 HA LYS 48 HA LYS 48 -3.646 -3.301 -9.260 313 HB2 LYS 48 1HB LYS 48 -5.601 -5.604 -9.191 314 HB3 LYS 48 2HB LYS 48 -5.866 -4.121 -10.099 315 HG2 LYS 48 1HG LYS 48 -3.536 -4.706 -11.141 316 HG3 LYS 48 2HG LYS 48 -3.942 -6.336 -10.600 317 HD2 LYS 48 1HD LYS 48 -5.727 -6.515 -12.040 318 HD3 LYS 48 2HD LYS 48 -5.979 -4.769 -12.113 319 HE2 LYS 48 1HE LYS 48 -5.120 -5.396 -14.223 320 HE3 LYS 48 2HE LYS 48 -3.784 -4.636 -13.360 321 HZ1 LYS 48 1HZ LYS 48 -4.012 -7.302 -14.356 322 HZ2 LYS 48 2HZ LYS 48 -3.593 -7.285 -12.718 323 HZ3 LYS 48 3HZ LYS 48 -2.637 -6.460 -13.844 324 H GLN 49 H GLN 49 -5.995 -5.016 -7.190 325 HA GLN 49 HA GLN 49 -6.568 -2.445 -5.875 326 HB2 GLN 49 1HB GLN 49 -8.519 -4.529 -6.847 327 HB3 GLN 49 2HB GLN 49 -8.956 -3.288 -5.679 328 HG2 GLN 49 1HG GLN 49 -9.665 -2.529 -7.800 329 HG3 GLN 49 2HG GLN 49 -8.246 -1.580 -7.362 330 HE21 GLN 49 1HE2 GLN 49 -8.876 -4.713 -8.915 331 HE22 GLN 49 2HE2 GLN 49 -7.821 -4.450 -10.257 332 H TYR 50 H TYR 50 -5.607 -2.729 -3.944 333 HA TYR 50 HA TYR 50 -6.146 -5.223 -2.480 334 HB2 TYR 50 1HB TYR 50 -3.815 -4.959 -2.612 335 HB3 TYR 50 2HB TYR 50 -3.904 -3.223 -2.335 336 HD1 TYR 50 1HD TYR 50 -4.480 -6.495 -0.656 337 HD2 TYR 50 2HD TYR 50 -3.590 -2.361 -0.189 338 HE1 TYR 50 1HE TYR 50 -4.058 -6.863 1.739 339 HE2 TYR 50 2HE TYR 50 -3.164 -2.717 2.207 340 HH TYR 50 HH TYR 50 -2.588 -4.495 3.731 341 H LYS 51 H LYS 51 -6.809 -5.145 -0.311 342 HA LYS 51 HA LYS 51 -8.197 -2.658 0.405 343 HB2 LYS 51 1HB LYS 51 -9.336 -5.009 0.203 344 HB3 LYS 51 2HB LYS 51 -8.646 -5.273 1.799 345 HG2 LYS 51 1HG LYS 51 -10.031 -3.772 2.802 346 HG3 LYS 51 2HG LYS 51 -10.182 -2.774 1.354 347 HD2 LYS 51 1HD LYS 51 -12.241 -3.706 1.273 348 HD3 LYS 51 2HD LYS 51 -11.371 -5.027 0.489 349 HE2 LYS 51 1HE LYS 51 -11.828 -4.890 3.461 350 HE3 LYS 51 2HE LYS 51 -12.945 -5.685 2.352 351 HZ1 LYS 51 1HZ LYS 51 -11.380 -7.247 3.344 352 HZ2 LYS 51 2HZ LYS 51 -10.078 -6.385 2.693 353 HZ3 LYS 51 3HZ LYS 51 -11.174 -7.164 1.666 354 H CYS 52 H CYS 52 -6.940 -1.405 1.639 355 HA CYS 52 HA CYS 52 -4.758 -1.903 3.105 356 HB2 CYS 52 1HB CYS 52 -5.113 0.087 4.232 357 HB3 CYS 52 2HB CYS 52 -6.192 0.279 2.854 358 HA PRO 53 HA PRO 53 -5.593 -4.601 6.462 359 HB2 PRO 53 1HB PRO 53 -3.951 -3.609 8.383 360 HB3 PRO 53 2HB PRO 53 -3.355 -4.485 6.967 361 HG2 PRO 53 1HG PRO 53 -3.484 -1.534 7.453 362 HG3 PRO 53 2HG PRO 53 -2.176 -2.493 6.738 363 HD2 PRO 53 1HD PRO 53 -3.921 -1.065 5.240 364 HD3 PRO 53 2HD PRO 53 -3.201 -2.586 4.676 365 H SER 54 H SER 54 -6.259 -1.251 6.706 366 HA SER 54 HA SER 54 -7.238 -1.153 9.362 367 HB2 SER 54 1HB SER 54 -6.664 0.761 7.619 368 HB3 SER 54 2HB SER 54 -8.384 0.628 7.255 369 HG SER 54 HG SER 54 -8.194 0.654 9.867 370 H CYS 55 H CYS 55 -9.010 -1.240 6.265 371 HA CYS 55 HA CYS 55 -11.460 -1.962 7.624 372 HB2 CYS 55 1HB CYS 55 -12.360 -2.040 5.248 373 HB3 CYS 55 2HB CYS 55 -11.747 -0.482 5.792 374 H SER 56 H SER 56 -9.402 -3.452 5.124 375 HA SER 56 HA SER 56 -10.562 -5.799 4.616 376 HB2 SER 56 1HB SER 56 -8.441 -6.746 4.180 377 HB3 SER 56 2HB SER 56 -8.205 -5.012 3.964 378 HG SER 56 HG SER 56 -7.520 -5.073 6.265 379 H ASN 57 H ASN 57 -9.155 -4.906 7.690 380 HA ASN 57 HA ASN 57 -9.483 -7.564 8.799 381 HB2 ASN 57 1HB ASN 57 -7.617 -5.896 9.396 382 HB3 ASN 57 2HB ASN 57 -8.835 -5.072 10.363 383 HD21 ASN 57 1HD2 ASN 57 -6.667 -7.687 10.168 384 HD22 ASN 57 2HD2 ASN 57 -7.041 -8.414 11.690 385 H LYS 58 H LYS 58 -11.891 -6.644 7.859 386 HA LYS 58 HA LYS 58 -13.369 -5.970 10.318 387 HB2 LYS 58 1HB LYS 58 -13.741 -5.176 7.470 388 HB3 LYS 58 2HB LYS 58 -15.182 -5.393 8.454 389 HG2 LYS 58 1HG LYS 58 -13.922 -3.845 10.134 390 HG3 LYS 58 2HG LYS 58 -13.004 -3.374 8.701 391 HD2 LYS 58 1HD LYS 58 -14.772 -1.830 8.826 392 HD3 LYS 58 2HD LYS 58 -15.265 -2.986 7.586 393 HE2 LYS 58 1HE LYS 58 -17.130 -2.500 9.048 394 HE3 LYS 58 2HE LYS 58 -16.619 -4.174 9.264 395 HZ1 LYS 58 1HZ LYS 58 -16.141 -3.804 11.389 396 HZ2 LYS 58 2HZ LYS 58 -16.962 -2.332 11.244 397 HZ3 LYS 58 3HZ LYS 58 -15.282 -2.386 11.052 398 H SER 59 H SER 59 -15.636 -6.846 10.348 399 HA SER 59 HA SER 59 -15.785 -9.514 10.549 400 HB2 SER 59 1HB SER 59 -18.233 -9.354 10.126 401 HB3 SER 59 2HB SER 59 -17.642 -8.089 11.204 402 HG SER 59 HG SER 59 -18.651 -7.906 8.625 403 H GLY 60 H GLY 60 -16.304 -11.299 9.284 404 HA2 GLY 60 1HA GLY 60 -17.219 -11.817 6.919 405 HA3 GLY 60 2HA GLY 60 -15.800 -10.913 6.412 406 HA PRO 61 HA PRO 61 -13.297 -14.501 6.583 407 HB2 PRO 61 1HB PRO 61 -10.988 -13.614 7.702 408 HB3 PRO 61 2HB PRO 61 -11.489 -13.181 6.064 409 HG2 PRO 61 1HG PRO 61 -11.742 -11.610 8.599 410 HG3 PRO 61 2HG PRO 61 -11.247 -11.061 6.987 411 HD2 PRO 61 1HD PRO 61 -13.744 -10.666 7.958 412 HD3 PRO 61 2HD PRO 61 -13.420 -10.919 6.231 413 H SER 62 H SER 62 -14.326 -13.029 9.446 414 HA SER 62 HA SER 62 -13.905 -15.487 10.929 415 HB2 SER 62 1HB SER 62 -12.699 -12.849 11.770 416 HB3 SER 62 2HB SER 62 -12.988 -14.167 12.906 417 HG SER 62 HG SER 62 -11.298 -15.153 12.150 418 H SER 63 H SER 63 -15.223 -15.652 12.813 419 HA SER 63 HA SER 63 -17.280 -13.574 13.095 420 HB2 SER 63 1HB SER 63 -18.082 -15.491 11.650 421 HB3 SER 63 2HB SER 63 -17.922 -16.528 13.067 422 HG SER 63 HG SER 63 -19.931 -15.874 13.323 423 H GLY 64 H GLY 64 -18.714 -14.157 15.092 424 HA2 GLY 64 1HA GLY 64 -18.871 -14.569 17.354 425 HA3 GLY 64 2HA GLY 64 -17.496 -15.652 17.196 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -8.352 30.330 4.923 2 HA2 GLY 1 1HA GLY 1 -8.949 28.199 4.148 3 HA3 GLY 1 2HA GLY 1 -8.936 28.818 2.503 4 H SER 2 H SER 2 -7.561 26.551 4.195 5 HA SER 2 HA SER 2 -5.103 26.636 2.654 6 HB2 SER 2 1HB SER 2 -5.057 26.427 5.675 7 HB3 SER 2 2HB SER 2 -3.664 26.215 4.615 8 HG SER 2 HG SER 2 -3.904 28.355 5.548 9 H SER 3 H SER 3 -4.763 24.692 1.820 10 HA SER 3 HA SER 3 -6.381 22.484 2.281 11 HB2 SER 3 1HB SER 3 -4.584 21.185 1.083 12 HB3 SER 3 2HB SER 3 -5.127 22.634 0.237 13 HG SER 3 HG SER 3 -2.743 22.192 0.503 14 H GLY 4 H GLY 4 -3.030 22.995 3.396 15 HA2 GLY 4 1HA GLY 4 -1.893 22.140 5.197 16 HA3 GLY 4 2HA GLY 4 -3.463 21.925 5.958 17 H SER 5 H SER 5 -2.648 19.984 6.907 18 HA SER 5 HA SER 5 -1.561 17.821 5.560 19 HB2 SER 5 1HB SER 5 -3.313 17.940 8.017 20 HB3 SER 5 2HB SER 5 -2.588 16.440 7.439 21 HG SER 5 HG SER 5 -1.213 18.800 8.216 22 H SER 6 H SER 6 -2.442 17.221 3.648 23 HA SER 6 HA SER 6 -5.316 16.711 3.495 24 HB2 SER 6 1HB SER 6 -4.159 18.015 1.692 25 HB3 SER 6 2HB SER 6 -3.258 16.556 1.281 26 HG SER 6 HG SER 6 -5.131 16.818 -0.016 27 H GLY 7 H GLY 7 -6.167 14.730 3.561 28 HA2 GLY 7 1HA GLY 7 -6.334 12.443 3.646 29 HA3 GLY 7 2HA GLY 7 -4.982 12.404 2.523 30 H GLN 8 H GLN 8 -6.004 11.510 5.548 31 HA GLN 8 HA GLN 8 -3.255 11.395 6.595 32 HB2 GLN 8 1HB GLN 8 -5.913 11.711 7.890 33 HB3 GLN 8 2HB GLN 8 -4.697 10.784 8.760 34 HG2 GLN 8 1HG GLN 8 -3.159 12.799 8.321 35 HG3 GLN 8 2HG GLN 8 -4.652 13.665 7.961 36 HE21 GLN 8 1HE2 GLN 8 -2.549 12.608 10.370 37 HE22 GLN 8 2HE2 GLN 8 -3.514 13.018 11.743 38 H CYS 9 H CYS 9 -2.332 9.472 7.045 39 HA CYS 9 HA CYS 9 -3.565 7.100 6.011 40 HB2 CYS 9 1HB CYS 9 -1.255 7.161 5.660 41 HB3 CYS 9 2HB CYS 9 -0.924 7.725 7.295 42 H GLY 10 H GLY 10 -4.736 5.632 7.066 43 HA2 GLY 10 1HA GLY 10 -5.637 6.003 9.687 44 HA3 GLY 10 2HA GLY 10 -5.785 4.511 8.770 45 H ALA 11 H ALA 11 -3.076 3.891 8.445 46 HA ALA 11 HA ALA 11 -2.512 2.440 10.729 47 HB1 ALA 11 1HB ALA 11 -0.724 1.684 9.596 48 HB2 ALA 11 2HB ALA 11 -1.430 2.581 8.251 49 HB3 ALA 11 3HB ALA 11 -0.145 3.306 9.218 50 H CYS 12 H CYS 12 -0.804 5.400 9.688 51 HA CYS 12 HA CYS 12 -0.209 5.929 12.526 52 HB2 CYS 12 1HB CYS 12 1.854 7.001 11.836 53 HB3 CYS 12 2HB CYS 12 1.796 5.369 11.177 54 H GLY 13 H GLY 13 -0.829 7.444 9.373 55 HA2 GLY 13 1HA GLY 13 -2.238 9.261 8.959 56 HA3 GLY 13 2HA GLY 13 -2.373 9.521 10.692 57 H GLU 14 H GLU 14 0.209 9.575 8.227 58 HA GLU 14 HA GLU 14 1.506 11.767 9.612 59 HB2 GLU 14 1HB GLU 14 2.204 9.981 7.324 60 HB3 GLU 14 2HB GLU 14 3.027 11.528 7.461 61 HG2 GLU 14 1HG GLU 14 3.464 10.776 9.910 62 HG3 GLU 14 2HG GLU 14 3.128 9.166 9.276 63 H SER 15 H SER 15 2.377 13.581 8.135 64 HA SER 15 HA SER 15 0.091 14.927 7.039 65 HB2 SER 15 1HB SER 15 2.934 15.639 7.595 66 HB3 SER 15 2HB SER 15 2.052 16.620 6.425 67 HG SER 15 HG SER 15 0.640 17.224 7.978 68 H TYR 16 H TYR 16 0.132 15.973 4.896 69 HA TYR 16 HA TYR 16 0.097 14.321 2.791 70 HB2 TYR 16 1HB TYR 16 -0.614 16.626 2.585 71 HB3 TYR 16 2HB TYR 16 1.043 17.194 2.760 72 HD1 TYR 16 1HD TYR 16 -0.573 14.574 0.631 73 HD2 TYR 16 2HD TYR 16 1.808 18.097 0.784 74 HE1 TYR 16 1HE TYR 16 -0.290 14.481 -1.810 75 HE2 TYR 16 2HE TYR 16 2.097 18.014 -1.657 76 HH TYR 16 HH TYR 16 1.237 17.079 -3.583 77 H ALA 17 H ALA 17 1.592 12.778 2.447 78 HA ALA 17 HA ALA 17 4.420 13.541 2.309 79 HB1 ALA 17 1HB ALA 17 3.067 11.260 3.300 80 HB2 ALA 17 2HB ALA 17 4.064 10.745 1.939 81 HB3 ALA 17 3HB ALA 17 4.798 11.595 3.299 82 H ALA 18 H ALA 18 5.341 13.873 0.403 83 HA ALA 18 HA ALA 18 3.971 12.964 -2.019 84 HB1 ALA 18 1HB ALA 18 4.398 15.148 -2.431 85 HB2 ALA 18 2HB ALA 18 5.806 15.188 -1.368 86 HB3 ALA 18 3HB ALA 18 5.940 14.494 -2.984 87 H ASP 19 H ASP 19 7.184 12.918 -0.511 88 HA ASP 19 HA ASP 19 8.237 11.145 -2.534 89 HB2 ASP 19 1HB ASP 19 9.525 11.905 0.090 90 HB3 ASP 19 2HB ASP 19 10.320 11.299 -1.361 91 H GLU 20 H GLU 20 6.012 10.008 -1.367 92 HA GLU 20 HA GLU 20 7.214 7.683 -0.048 93 HB2 GLU 20 1HB GLU 20 4.657 9.003 0.879 94 HB3 GLU 20 2HB GLU 20 5.373 7.544 1.549 95 HG2 GLU 20 1HG GLU 20 6.833 10.162 1.524 96 HG3 GLU 20 2HG GLU 20 5.722 9.718 2.818 97 H PHE 21 H PHE 21 6.221 5.720 -0.486 98 HA PHE 21 HA PHE 21 4.586 5.702 -2.880 99 HB2 PHE 21 1HB PHE 21 6.123 4.028 -3.124 100 HB3 PHE 21 2HB PHE 21 6.222 3.722 -1.393 101 HD1 PHE 21 1HD PHE 21 3.409 3.621 -3.841 102 HD2 PHE 21 2HD PHE 21 5.734 1.525 -0.958 103 HE1 PHE 21 1HE PHE 21 1.962 1.650 -4.114 104 HE2 PHE 21 2HE PHE 21 4.291 -0.450 -1.226 105 HZ PHE 21 HZ PHE 21 2.403 -0.390 -2.806 106 H TRP 22 H TRP 22 2.498 6.168 -2.479 107 HA TRP 22 HA TRP 22 1.152 5.103 -0.145 108 HB2 TRP 22 1HB TRP 22 0.217 6.861 -2.418 109 HB3 TRP 22 2HB TRP 22 -0.834 6.326 -1.109 110 HD1 TRP 22 HD TRP 22 2.412 8.387 -1.593 111 HE1 TRP 22 1HE TRP 22 2.516 10.154 0.276 112 HE3 TRP 22 3HE TRP 22 -1.732 7.003 1.062 113 HZ2 TRP 22 2HZ TRP 22 1.037 10.866 2.573 114 HZ3 TRP 22 3HZ TRP 22 -2.317 8.279 3.083 115 HH2 TRP 22 HH TRP 22 -0.960 10.169 3.822 116 H ILE 23 H ILE 23 -0.622 3.693 -0.185 117 HA ILE 23 HA ILE 23 -0.692 1.948 -2.548 118 HB ILE 23 HB ILE 23 -1.230 0.157 -1.201 119 HG12 ILE 23 1HG1 ILE 23 -1.947 0.761 1.311 120 HG13 ILE 23 2HG1 ILE 23 -2.525 2.217 0.507 121 HG21 ILE 23 1HG2 ILE 23 0.848 1.830 -0.309 122 HG22 ILE 23 2HG2 ILE 23 0.066 1.183 1.132 123 HG23 ILE 23 3HG2 ILE 23 0.694 0.086 -0.098 124 HD11 ILE 23 1HD1 ILE 23 -3.315 -0.616 -0.118 125 HD12 ILE 23 2HD1 ILE 23 -4.305 0.617 0.662 126 HD13 ILE 23 3HD1 ILE 23 -3.836 0.802 -1.027 127 H CYS 24 H CYS 24 -2.690 1.184 -3.359 128 HA CYS 24 HA CYS 24 -4.945 2.985 -2.783 129 HB2 CYS 24 1HB CYS 24 -4.255 1.442 -5.290 130 HB3 CYS 24 2HB CYS 24 -5.752 2.339 -5.067 131 HG CYS 24 HG CYS 24 -3.381 4.420 -4.363 132 H CYS 25 H CYS 25 -6.929 2.176 -2.283 133 HA CYS 25 HA CYS 25 -7.135 -0.755 -2.041 134 HB2 CYS 25 1HB CYS 25 -6.972 0.582 0.125 135 HB3 CYS 25 2HB CYS 25 -8.561 1.228 -0.270 136 H ASP 26 H ASP 26 -9.468 -1.501 -1.928 137 HA ASP 26 HA ASP 26 -11.027 -0.036 -3.952 138 HB2 ASP 26 1HB ASP 26 -10.265 -2.287 -4.642 139 HB3 ASP 26 2HB ASP 26 -11.122 -2.982 -3.269 140 H LEU 27 H LEU 27 -11.503 -2.222 -1.172 141 HA LEU 27 HA LEU 27 -14.170 -1.877 -0.718 142 HB2 LEU 27 1HB LEU 27 -11.854 -2.281 1.122 143 HB3 LEU 27 2HB LEU 27 -13.463 -2.021 1.794 144 HG LEU 27 HG LEU 27 -13.133 -4.148 -0.260 145 HD11 LEU 27 1HD1 LEU 27 -11.312 -4.828 0.983 146 HD12 LEU 27 2HD1 LEU 27 -12.636 -5.680 1.775 147 HD13 LEU 27 3HD1 LEU 27 -11.978 -4.211 2.495 148 HD21 LEU 27 1HD2 LEU 27 -14.706 -4.046 2.308 149 HD22 LEU 27 2HD2 LEU 27 -14.883 -5.202 0.988 150 HD23 LEU 27 3HD2 LEU 27 -15.324 -3.511 0.745 151 H CYS 28 H CYS 28 -11.757 -0.041 1.156 152 HA CYS 28 HA CYS 28 -13.724 2.078 1.545 153 HB2 CYS 28 1HB CYS 28 -12.221 2.930 3.246 154 HB3 CYS 28 2HB CYS 28 -12.453 1.202 3.489 155 H GLU 29 H GLU 29 -10.587 1.521 0.058 156 HA GLU 29 HA GLU 29 -9.418 2.694 -1.503 157 HB2 GLU 29 1HB GLU 29 -11.838 4.480 -1.754 158 HB3 GLU 29 2HB GLU 29 -10.567 4.228 -2.943 159 HG2 GLU 29 1HG GLU 29 -11.342 1.759 -2.883 160 HG3 GLU 29 2HG GLU 29 -12.810 2.419 -2.164 161 H MET 30 H MET 30 -8.971 3.307 1.148 162 HA MET 30 HA MET 30 -8.898 6.206 1.387 163 HB2 MET 30 1HB MET 30 -8.473 3.907 3.222 164 HB3 MET 30 2HB MET 30 -7.617 5.398 3.591 165 HG2 MET 30 1HG MET 30 -10.564 5.385 3.070 166 HG3 MET 30 2HG MET 30 -9.908 5.005 4.660 167 HE1 MET 30 1HE MET 30 -7.769 8.129 5.378 168 HE2 MET 30 2HE MET 30 -8.963 7.322 6.395 169 HE3 MET 30 3HE MET 30 -7.847 6.367 5.418 170 H TRP 31 H TRP 31 -6.694 6.942 2.525 171 HA TRP 31 HA TRP 31 -4.584 6.194 0.623 172 HB2 TRP 31 1HB TRP 31 -4.787 8.658 2.368 173 HB3 TRP 31 2HB TRP 31 -3.563 8.351 1.139 174 HD1 TRP 31 HD TRP 31 -7.453 8.520 1.196 175 HE1 TRP 31 1HE TRP 31 -8.213 9.769 -0.922 176 HE3 TRP 31 3HE TRP 31 -2.881 9.373 -0.926 177 HZ2 TRP 31 2HZ TRP 31 -7.030 10.958 -3.193 178 HZ3 TRP 31 3HZ TRP 31 -2.783 10.572 -3.072 179 HH2 TRP 31 HH TRP 31 -4.815 11.347 -4.181 180 H PHE 32 H PHE 32 -2.818 5.159 1.293 181 HA PHE 32 HA PHE 32 -2.015 5.322 4.098 182 HB2 PHE 32 1HB PHE 32 -2.407 2.690 2.659 183 HB3 PHE 32 2HB PHE 32 -1.796 2.896 4.297 184 HD1 PHE 32 1HD PHE 32 -3.317 3.799 6.062 185 HD2 PHE 32 2HD PHE 32 -4.714 2.642 2.211 186 HE1 PHE 32 1HE PHE 32 -5.614 3.680 6.935 187 HE2 PHE 32 2HE PHE 32 -7.014 2.522 3.078 188 HZ PHE 32 HZ PHE 32 -7.466 3.042 5.442 189 H HIS 33 H HIS 33 0.095 3.867 4.320 190 HA HIS 33 HA HIS 33 1.830 4.603 2.055 191 HB2 HIS 33 1HB HIS 33 2.796 4.176 4.874 192 HB3 HIS 33 2HB HIS 33 3.596 5.031 3.559 193 HD2 HIS 33 2HD HIS 33 1.303 7.193 2.796 194 HE1 HIS 33 1HE HIS 33 1.395 8.200 6.917 195 HE2 HIS 33 2HE HIS 33 0.629 8.898 4.621 196 H GLY 34 H GLY 34 2.875 3.026 1.017 197 HA2 GLY 34 1HA GLY 34 2.386 0.408 1.049 198 HA3 GLY 34 2HA GLY 34 4.005 1.009 0.723 199 H LYS 35 H LYS 35 5.243 1.581 2.830 200 HA LYS 35 HA LYS 35 5.845 -0.714 4.196 201 HB2 LYS 35 1HB LYS 35 6.046 2.087 5.318 202 HB3 LYS 35 2HB LYS 35 6.965 0.685 5.850 203 HG2 LYS 35 1HG LYS 35 7.138 2.023 3.158 204 HG3 LYS 35 2HG LYS 35 8.334 2.098 4.454 205 HD2 LYS 35 1HD LYS 35 8.717 -0.298 4.262 206 HD3 LYS 35 2HD LYS 35 7.478 -0.412 3.011 207 HE2 LYS 35 1HE LYS 35 9.995 1.237 2.804 208 HE3 LYS 35 2HE LYS 35 9.786 -0.370 2.110 209 HZ1 LYS 35 1HZ LYS 35 9.260 1.931 0.827 210 HZ2 LYS 35 2HZ LYS 35 7.722 1.514 1.393 211 HZ3 LYS 35 3HZ LYS 35 8.586 0.433 0.421 212 H CYS 36 H CYS 36 3.583 1.831 5.202 213 HA CYS 36 HA CYS 36 2.888 0.777 7.691 214 HB2 CYS 36 1HB CYS 36 1.626 2.656 5.762 215 HB3 CYS 36 2HB CYS 36 0.592 1.982 7.017 216 H VAL 37 H VAL 37 1.356 0.284 4.520 217 HA VAL 37 HA VAL 37 -0.511 -1.641 5.571 218 HB VAL 37 HB VAL 37 -1.238 -1.937 3.260 219 HG11 VAL 37 1HG1 VAL 37 -2.314 0.073 3.099 220 HG12 VAL 37 2HG1 VAL 37 -1.720 0.185 4.757 221 HG13 VAL 37 3HG1 VAL 37 -0.860 1.006 3.454 222 HG21 VAL 37 1HG2 VAL 37 0.920 0.008 2.465 223 HG22 VAL 37 2HG2 VAL 37 1.071 -1.740 2.288 224 HG23 VAL 37 3HG2 VAL 37 -0.186 -0.870 1.408 225 H LYS 38 H LYS 38 2.657 -1.887 5.221 226 HA LYS 38 HA LYS 38 4.123 -3.619 5.060 227 HB2 LYS 38 1HB LYS 38 1.633 -5.336 5.059 228 HB3 LYS 38 2HB LYS 38 3.275 -5.905 5.334 229 HG2 LYS 38 1HG LYS 38 2.101 -3.789 7.088 230 HG3 LYS 38 2HG LYS 38 1.715 -5.491 7.352 231 HD2 LYS 38 1HD LYS 38 3.869 -6.024 7.959 232 HD3 LYS 38 2HD LYS 38 4.571 -4.693 7.037 233 HE2 LYS 38 1HE LYS 38 4.841 -3.959 9.207 234 HE3 LYS 38 2HE LYS 38 3.317 -3.197 8.757 235 HZ1 LYS 38 1HZ LYS 38 2.688 -5.696 9.777 236 HZ2 LYS 38 2HZ LYS 38 2.402 -4.191 10.494 237 HZ3 LYS 38 3HZ LYS 38 3.827 -5.034 10.838 238 H ILE 39 H ILE 39 3.646 -2.327 2.734 239 HA ILE 39 HA ILE 39 3.895 -4.495 0.777 240 HB ILE 39 HB ILE 39 2.125 -2.073 0.460 241 HG12 ILE 39 1HG1 ILE 39 1.585 -5.046 0.316 242 HG13 ILE 39 2HG1 ILE 39 1.073 -3.956 1.599 243 HG21 ILE 39 1HG2 ILE 39 1.808 -2.664 -1.835 244 HG22 ILE 39 2HG2 ILE 39 3.540 -2.504 -1.547 245 HG23 ILE 39 3HG2 ILE 39 2.808 -4.105 -1.656 246 HD11 ILE 39 1HD1 ILE 39 0.189 -3.723 -1.264 247 HD12 ILE 39 2HD1 ILE 39 -0.717 -4.558 -0.002 248 HD13 ILE 39 3HD1 ILE 39 -0.424 -2.824 0.124 249 H THR 40 H THR 40 5.383 -4.145 -0.813 250 HA THR 40 HA THR 40 7.060 -1.766 -0.494 251 HB THR 40 HB THR 40 8.725 -3.000 -1.850 252 HG1 THR 40 1HG THR 40 6.679 -4.444 -2.571 253 HG21 THR 40 1HG2 THR 40 9.040 -3.260 0.457 254 HG22 THR 40 2HG2 THR 40 9.043 -4.912 -0.161 255 HG23 THR 40 3HG2 THR 40 7.604 -4.269 0.631 256 HA PRO 41 HA PRO 41 5.812 0.084 -4.277 257 HB2 PRO 41 1HB PRO 41 8.124 1.273 -5.057 258 HB3 PRO 41 2HB PRO 41 7.149 1.863 -3.706 259 HG2 PRO 41 1HG PRO 41 9.614 0.164 -3.664 260 HG3 PRO 41 2HG PRO 41 9.183 1.535 -2.626 261 HD2 PRO 41 1HD PRO 41 8.903 -1.038 -1.831 262 HD3 PRO 41 2HD PRO 41 7.812 0.254 -1.287 263 H ALA 42 H ALA 42 8.188 -2.361 -4.184 264 HA ALA 42 HA ALA 42 8.526 -2.466 -7.074 265 HB1 ALA 42 1HB ALA 42 10.459 -3.454 -6.610 266 HB2 ALA 42 2HB ALA 42 10.112 -3.224 -4.896 267 HB3 ALA 42 3HB ALA 42 9.645 -4.725 -5.696 268 H ARG 43 H ARG 43 6.737 -4.034 -4.540 269 HA ARG 43 HA ARG 43 5.911 -6.218 -6.281 270 HB2 ARG 43 1HB ARG 43 6.385 -6.791 -3.980 271 HB3 ARG 43 2HB ARG 43 5.256 -5.571 -3.404 272 HG2 ARG 43 1HG ARG 43 3.434 -6.851 -4.558 273 HG3 ARG 43 2HG ARG 43 4.617 -8.129 -4.847 274 HD2 ARG 43 1HD ARG 43 4.027 -7.037 -2.107 275 HD3 ARG 43 2HD ARG 43 3.144 -8.395 -2.803 276 HE ARG 43 HE ARG 43 5.652 -9.238 -3.060 277 HH11 ARG 43 2HH1 ARG 43 4.033 -7.744 -0.365 278 HH12 ARG 43 1HH1 ARG 43 4.998 -8.548 0.829 279 HH21 ARG 43 2HH2 ARG 43 6.930 -10.302 -1.499 280 HH22 ARG 43 1HH2 ARG 43 6.646 -10.002 0.183 281 H ALA 44 H ALA 44 4.676 -3.240 -4.929 282 HA ALA 44 HA ALA 44 1.971 -3.456 -5.194 283 HB1 ALA 44 1HB ALA 44 2.529 -0.935 -6.249 284 HB2 ALA 44 2HB ALA 44 2.226 -1.342 -4.560 285 HB3 ALA 44 3HB ALA 44 3.879 -1.298 -5.173 286 H GLU 45 H GLU 45 4.261 -2.647 -7.794 287 HA GLU 45 HA GLU 45 2.570 -2.174 -9.881 288 HB2 GLU 45 1HB GLU 45 4.360 -3.327 -11.318 289 HB3 GLU 45 2HB GLU 45 4.854 -1.951 -10.341 290 HG2 GLU 45 1HG GLU 45 6.120 -3.216 -8.939 291 HG3 GLU 45 2HG GLU 45 5.120 -4.652 -9.151 292 H HIS 46 H HIS 46 3.249 -5.236 -8.353 293 HA HIS 46 HA HIS 46 1.823 -6.735 -10.395 294 HB2 HIS 46 1HB HIS 46 3.040 -7.672 -7.788 295 HB3 HIS 46 2HB HIS 46 2.408 -8.710 -9.063 296 HD1 HIS 46 1HD HIS 46 3.879 -9.077 -11.129 297 HD2 HIS 46 2HD HIS 46 5.540 -6.489 -8.336 298 HE1 HIS 46 1HE HIS 46 6.273 -8.774 -11.835 299 HE2 HIS 46 2HE HIS 46 7.280 -7.271 -10.082 300 H ILE 47 H ILE 47 1.363 -5.583 -7.113 301 HA ILE 47 HA ILE 47 -1.011 -7.051 -6.582 302 HB ILE 47 HB ILE 47 -0.016 -4.484 -5.339 303 HG12 ILE 47 1HG1 ILE 47 0.163 -7.320 -4.306 304 HG13 ILE 47 2HG1 ILE 47 1.476 -6.492 -5.135 305 HG21 ILE 47 1HG2 ILE 47 -1.699 -4.557 -3.816 306 HG22 ILE 47 2HG2 ILE 47 -2.540 -5.312 -5.168 307 HG23 ILE 47 3HG2 ILE 47 -1.844 -6.313 -3.895 308 HD11 ILE 47 1HD1 ILE 47 1.081 -6.543 -2.440 309 HD12 ILE 47 2HD1 ILE 47 2.052 -5.353 -3.309 310 HD13 ILE 47 3HD1 ILE 47 0.378 -4.990 -2.891 311 H LYS 48 H LYS 48 -2.984 -6.749 -7.359 312 HA LYS 48 HA LYS 48 -3.578 -4.446 -8.993 313 HB2 LYS 48 1HB LYS 48 -4.305 -6.858 -9.448 314 HB3 LYS 48 2HB LYS 48 -5.514 -6.613 -8.194 315 HG2 LYS 48 1HG LYS 48 -6.366 -4.666 -9.501 316 HG3 LYS 48 2HG LYS 48 -5.256 -5.123 -10.795 317 HD2 LYS 48 1HD LYS 48 -7.160 -7.140 -9.673 318 HD3 LYS 48 2HD LYS 48 -7.725 -5.953 -10.852 319 HE2 LYS 48 1HE LYS 48 -6.233 -6.736 -12.502 320 HE3 LYS 48 2HE LYS 48 -5.296 -7.660 -11.328 321 HZ1 LYS 48 1HZ LYS 48 -7.623 -8.831 -11.015 322 HZ2 LYS 48 2HZ LYS 48 -6.532 -9.323 -12.210 323 HZ3 LYS 48 3HZ LYS 48 -7.833 -8.321 -12.615 324 H GLN 49 H GLN 49 -5.411 -5.965 -6.334 325 HA GLN 49 HA GLN 49 -5.956 -3.283 -5.272 326 HB2 GLN 49 1HB GLN 49 -7.961 -5.424 -5.943 327 HB3 GLN 49 2HB GLN 49 -8.310 -4.179 -4.751 328 HG2 GLN 49 1HG GLN 49 -7.450 -3.534 -7.553 329 HG3 GLN 49 2HG GLN 49 -9.138 -3.775 -7.104 330 HE21 GLN 49 1HE2 GLN 49 -9.772 -1.697 -7.521 331 HE22 GLN 49 2HE2 GLN 49 -9.267 -0.344 -6.572 332 H TYR 50 H TYR 50 -4.783 -3.416 -3.438 333 HA TYR 50 HA TYR 50 -4.895 -5.817 -1.798 334 HB2 TYR 50 1HB TYR 50 -2.715 -4.904 -1.972 335 HB3 TYR 50 2HB TYR 50 -3.287 -3.271 -1.649 336 HD1 TYR 50 1HD TYR 50 -2.590 -6.560 -0.127 337 HD2 TYR 50 2HD TYR 50 -3.551 -2.477 0.585 338 HE1 TYR 50 1HE TYR 50 -2.077 -6.862 2.260 339 HE2 TYR 50 2HE TYR 50 -3.040 -2.767 2.973 340 HH TYR 50 HH TYR 50 -2.217 -4.140 4.527 341 H LYS 51 H LYS 51 -5.547 -5.821 0.390 342 HA LYS 51 HA LYS 51 -7.646 -3.863 0.964 343 HB2 LYS 51 1HB LYS 51 -7.988 -6.420 1.028 344 HB3 LYS 51 2HB LYS 51 -7.105 -6.363 2.548 345 HG2 LYS 51 1HG LYS 51 -8.764 -4.937 3.528 346 HG3 LYS 51 2HG LYS 51 -9.603 -4.782 1.983 347 HD2 LYS 51 1HD LYS 51 -9.245 -7.342 3.541 348 HD3 LYS 51 2HD LYS 51 -10.722 -6.378 3.474 349 HE2 LYS 51 1HE LYS 51 -10.458 -6.689 0.894 350 HE3 LYS 51 2HE LYS 51 -9.448 -8.058 1.356 351 HZ1 LYS 51 1HZ LYS 51 -11.882 -8.035 2.823 352 HZ2 LYS 51 2HZ LYS 51 -11.238 -9.250 1.839 353 HZ3 LYS 51 3HZ LYS 51 -12.188 -8.027 1.159 354 H CYS 52 H CYS 52 -7.173 -2.210 2.238 355 HA CYS 52 HA CYS 52 -4.790 -2.031 3.752 356 HB2 CYS 52 1HB CYS 52 -5.615 0.102 4.502 357 HB3 CYS 52 2HB CYS 52 -6.043 -0.084 2.805 358 HA PRO 53 HA PRO 53 -5.843 -3.862 7.600 359 HB2 PRO 53 1HB PRO 53 -4.455 -2.292 9.325 360 HB3 PRO 53 2HB PRO 53 -3.676 -3.458 8.248 361 HG2 PRO 53 1HG PRO 53 -3.994 -0.498 7.926 362 HG3 PRO 53 2HG PRO 53 -2.575 -1.513 7.606 363 HD2 PRO 53 1HD PRO 53 -4.222 -0.649 5.638 364 HD3 PRO 53 2HD PRO 53 -3.378 -2.209 5.560 365 H SER 54 H SER 54 -6.983 -0.870 6.695 366 HA SER 54 HA SER 54 -8.204 -0.160 9.226 367 HB2 SER 54 1HB SER 54 -7.463 1.657 7.810 368 HB3 SER 54 2HB SER 54 -8.430 1.055 6.463 369 HG SER 54 HG SER 54 -9.194 2.499 8.693 370 H CYS 55 H CYS 55 -9.305 -1.191 6.005 371 HA CYS 55 HA CYS 55 -12.010 -1.575 6.986 372 HB2 CYS 55 1HB CYS 55 -12.499 -2.235 4.641 373 HB3 CYS 55 2HB CYS 55 -11.755 -0.644 4.764 374 H SER 56 H SER 56 -9.422 -3.576 5.588 375 HA SER 56 HA SER 56 -10.435 -6.034 5.443 376 HB2 SER 56 1HB SER 56 -8.301 -6.933 5.864 377 HB3 SER 56 2HB SER 56 -7.966 -5.292 5.312 378 HG SER 56 HG SER 56 -6.774 -5.783 7.183 379 H ASN 57 H ASN 57 -9.865 -4.307 8.444 380 HA ASN 57 HA ASN 57 -10.264 -6.434 10.234 381 HB2 ASN 57 1HB ASN 57 -9.319 -4.217 10.855 382 HB3 ASN 57 2HB ASN 57 -10.923 -3.513 10.671 383 HD21 ASN 57 1HD2 ASN 57 -9.749 -3.169 13.019 384 HD22 ASN 57 2HD2 ASN 57 -10.453 -4.176 14.234 385 H LYS 58 H LYS 58 -12.553 -3.990 9.022 386 HA LYS 58 HA LYS 58 -14.807 -5.135 10.327 387 HB2 LYS 58 1HB LYS 58 -16.121 -3.549 9.102 388 HB3 LYS 58 2HB LYS 58 -14.633 -2.749 9.589 389 HG2 LYS 58 1HG LYS 58 -13.777 -2.751 7.424 390 HG3 LYS 58 2HG LYS 58 -14.899 -4.001 6.882 391 HD2 LYS 58 1HD LYS 58 -15.918 -2.176 5.970 392 HD3 LYS 58 2HD LYS 58 -16.687 -2.162 7.560 393 HE2 LYS 58 1HE LYS 58 -14.130 -0.676 7.137 394 HE3 LYS 58 2HE LYS 58 -15.646 0.024 6.572 395 HZ1 LYS 58 1HZ LYS 58 -15.290 -0.937 9.349 396 HZ2 LYS 58 2HZ LYS 58 -16.499 0.078 8.742 397 HZ3 LYS 58 3HZ LYS 58 -14.912 0.646 8.888 398 H SER 59 H SER 59 -16.803 -5.702 8.903 399 HA SER 59 HA SER 59 -15.925 -7.686 6.908 400 HB2 SER 59 1HB SER 59 -18.019 -8.926 7.505 401 HB3 SER 59 2HB SER 59 -16.870 -8.794 8.836 402 HG SER 59 HG SER 59 -18.270 -7.654 9.914 403 H GLY 60 H GLY 60 -16.178 -6.650 4.998 404 HA2 GLY 60 1HA GLY 60 -18.880 -5.601 4.419 405 HA3 GLY 60 2HA GLY 60 -17.425 -4.805 3.838 406 HA PRO 61 HA PRO 61 -19.076 -7.890 0.684 407 HB2 PRO 61 1HB PRO 61 -19.617 -6.081 -1.267 408 HB3 PRO 61 2HB PRO 61 -20.797 -6.549 -0.037 409 HG2 PRO 61 1HG PRO 61 -19.039 -4.129 -0.151 410 HG3 PRO 61 2HG PRO 61 -20.750 -4.249 0.302 411 HD2 PRO 61 1HD PRO 61 -18.767 -4.070 2.136 412 HD3 PRO 61 2HD PRO 61 -20.264 -4.975 2.435 413 H SER 62 H SER 62 -17.213 -8.826 0.057 414 HA SER 62 HA SER 62 -15.026 -7.238 -0.996 415 HB2 SER 62 1HB SER 62 -13.875 -9.477 -1.158 416 HB3 SER 62 2HB SER 62 -14.397 -9.034 0.468 417 HG SER 62 HG SER 62 -15.307 -11.047 -1.209 418 H SER 63 H SER 63 -14.060 -7.615 -3.060 419 HA SER 63 HA SER 63 -14.257 -7.582 -5.340 420 HB2 SER 63 1HB SER 63 -15.536 -10.282 -4.856 421 HB3 SER 63 2HB SER 63 -14.708 -9.753 -6.321 422 HG SER 63 HG SER 63 -13.600 -11.032 -4.425 423 H GLY 64 H GLY 64 -16.337 -6.174 -4.151 424 HA2 GLY 64 1HA GLY 64 -18.819 -7.009 -5.417 425 HA3 GLY 64 2HA GLY 64 -18.599 -5.616 -4.368 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -6.274 23.856 14.529 2 HA2 GLY 1 1HA GLY 1 -7.894 21.910 13.606 3 HA3 GLY 1 2HA GLY 1 -6.318 21.135 13.538 4 H SER 2 H SER 2 -8.623 22.711 15.702 5 HA SER 2 HA SER 2 -7.420 22.351 18.138 6 HB2 SER 2 1HB SER 2 -10.269 22.363 17.243 7 HB3 SER 2 2HB SER 2 -9.917 21.879 18.902 8 HG SER 2 HG SER 2 -9.886 23.953 19.248 9 H SER 3 H SER 3 -9.540 20.008 16.491 10 HA SER 3 HA SER 3 -8.669 17.934 18.359 11 HB2 SER 3 1HB SER 3 -11.077 18.121 17.960 12 HB3 SER 3 2HB SER 3 -10.822 17.890 16.230 13 HG SER 3 HG SER 3 -10.578 16.039 18.331 14 H GLY 4 H GLY 4 -9.011 18.377 14.835 15 HA2 GLY 4 1HA GLY 4 -6.471 17.350 14.214 16 HA3 GLY 4 2HA GLY 4 -7.639 16.041 14.093 17 H SER 5 H SER 5 -9.120 16.019 12.423 18 HA SER 5 HA SER 5 -9.802 16.344 10.273 19 HB2 SER 5 1HB SER 5 -9.518 19.241 11.108 20 HB3 SER 5 2HB SER 5 -10.376 18.684 9.671 21 HG SER 5 HG SER 5 -11.934 18.832 11.173 22 H SER 6 H SER 6 -7.101 15.783 10.486 23 HA SER 6 HA SER 6 -5.765 17.613 8.628 24 HB2 SER 6 1HB SER 6 -4.741 15.398 10.406 25 HB3 SER 6 2HB SER 6 -3.735 16.176 9.184 26 HG SER 6 HG SER 6 -4.624 17.128 11.618 27 H GLY 7 H GLY 7 -6.658 14.207 9.001 28 HA2 GLY 7 1HA GLY 7 -7.184 12.663 7.359 29 HA3 GLY 7 2HA GLY 7 -6.897 13.906 6.150 30 H GLN 8 H GLN 8 -4.721 12.598 8.631 31 HA GLN 8 HA GLN 8 -2.693 12.189 6.590 32 HB2 GLN 8 1HB GLN 8 -1.182 11.756 8.464 33 HB3 GLN 8 2HB GLN 8 -2.054 13.266 8.693 34 HG2 GLN 8 1HG GLN 8 -3.135 10.770 9.903 35 HG3 GLN 8 2HG GLN 8 -1.760 11.574 10.659 36 HE21 GLN 8 1HE2 GLN 8 -2.033 13.850 11.211 37 HE22 GLN 8 2HE2 GLN 8 -3.594 14.409 11.696 38 H CYS 9 H CYS 9 -1.255 10.120 7.145 39 HA CYS 9 HA CYS 9 -2.613 7.902 6.213 40 HB2 CYS 9 1HB CYS 9 -0.233 7.945 6.064 41 HB3 CYS 9 2HB CYS 9 -0.060 8.113 7.809 42 H GLY 10 H GLY 10 -3.877 6.377 7.086 43 HA2 GLY 10 1HA GLY 10 -4.832 6.672 9.753 44 HA3 GLY 10 2HA GLY 10 -5.242 5.373 8.643 45 H ALA 11 H ALA 11 -2.660 4.351 8.195 46 HA ALA 11 HA ALA 11 -2.400 2.505 10.241 47 HB1 ALA 11 1HB ALA 11 -1.412 1.953 8.191 48 HB2 ALA 11 2HB ALA 11 -0.468 3.442 8.143 49 HB3 ALA 11 3HB ALA 11 -0.052 2.171 9.293 50 H CYS 12 H CYS 12 -0.180 5.233 9.613 51 HA CYS 12 HA CYS 12 0.449 5.246 12.493 52 HB2 CYS 12 1HB CYS 12 2.690 5.930 11.981 53 HB3 CYS 12 2HB CYS 12 2.327 4.520 10.992 54 H GLY 13 H GLY 13 0.204 7.270 9.582 55 HA2 GLY 13 1HA GLY 13 -0.842 9.354 9.427 56 HA3 GLY 13 2HA GLY 13 -0.971 9.394 11.179 57 H GLU 14 H GLU 14 1.893 8.948 9.130 58 HA GLU 14 HA GLU 14 3.408 10.800 10.681 59 HB2 GLU 14 1HB GLU 14 3.895 9.114 8.278 60 HB3 GLU 14 2HB GLU 14 4.968 10.482 8.538 61 HG2 GLU 14 1HG GLU 14 5.200 9.529 10.933 62 HG3 GLU 14 2HG GLU 14 4.576 8.045 10.216 63 H SER 15 H SER 15 4.713 12.552 9.481 64 HA SER 15 HA SER 15 2.909 14.536 8.615 65 HB2 SER 15 1HB SER 15 5.343 14.686 9.653 66 HB3 SER 15 2HB SER 15 5.816 14.756 7.956 67 HG SER 15 HG SER 15 3.885 16.424 8.069 68 H TYR 16 H TYR 16 2.961 15.688 6.554 69 HA TYR 16 HA TYR 16 2.484 14.016 4.374 70 HB2 TYR 16 1HB TYR 16 1.563 16.277 4.532 71 HB3 TYR 16 2HB TYR 16 3.178 16.961 4.381 72 HD1 TYR 16 1HD TYR 16 0.669 14.898 2.570 73 HD2 TYR 16 2HD TYR 16 4.070 17.437 2.269 74 HE1 TYR 16 1HE TYR 16 0.414 14.940 0.124 75 HE2 TYR 16 2HE TYR 16 3.823 17.487 -0.177 76 HH TYR 16 HH TYR 16 1.321 16.912 -1.787 77 H ALA 17 H ALA 17 4.112 12.634 3.834 78 HA ALA 17 HA ALA 17 6.759 13.737 3.243 79 HB1 ALA 17 1HB ALA 17 7.549 11.812 4.010 80 HB2 ALA 17 2HB ALA 17 5.897 11.328 4.397 81 HB3 ALA 17 3HB ALA 17 6.596 10.906 2.834 82 H ALA 18 H ALA 18 7.433 14.077 1.227 83 HA ALA 18 HA ALA 18 5.678 13.501 -0.986 84 HB1 ALA 18 1HB ALA 18 6.692 15.587 -1.165 85 HB2 ALA 18 2HB ALA 18 8.276 14.966 -0.700 86 HB3 ALA 18 3HB ALA 18 7.612 14.588 -2.290 87 H ASP 19 H ASP 19 8.954 12.535 -0.002 88 HA ASP 19 HA ASP 19 9.209 10.682 -2.195 89 HB2 ASP 19 1HB ASP 19 10.967 10.848 0.254 90 HB3 ASP 19 2HB ASP 19 11.382 10.199 -1.330 91 H GLU 20 H GLU 20 7.108 9.628 -1.510 92 HA GLU 20 HA GLU 20 7.755 7.196 -0.086 93 HB2 GLU 20 1HB GLU 20 5.722 9.164 0.943 94 HB3 GLU 20 2HB GLU 20 5.627 7.451 1.327 95 HG2 GLU 20 1HG GLU 20 7.962 9.246 1.948 96 HG3 GLU 20 2HG GLU 20 6.716 8.751 3.093 97 H PHE 21 H PHE 21 6.154 5.528 -0.370 98 HA PHE 21 HA PHE 21 4.573 5.951 -2.807 99 HB2 PHE 21 1HB PHE 21 5.899 4.134 -3.283 100 HB3 PHE 21 2HB PHE 21 5.953 3.599 -1.606 101 HD1 PHE 21 1HD PHE 21 3.284 4.146 -4.162 102 HD2 PHE 21 2HD PHE 21 5.011 1.545 -1.269 103 HE1 PHE 21 1HE PHE 21 1.558 2.461 -4.651 104 HE2 PHE 21 2HE PHE 21 3.289 -0.144 -1.754 105 HZ PHE 21 HZ PHE 21 1.560 0.313 -3.447 106 H TRP 22 H TRP 22 2.431 6.019 -2.707 107 HA TRP 22 HA TRP 22 1.123 5.236 -0.201 108 HB2 TRP 22 1HB TRP 22 0.138 6.967 -2.479 109 HB3 TRP 22 2HB TRP 22 -0.783 6.594 -1.024 110 HD1 TRP 22 HD TRP 22 2.517 8.371 -2.011 111 HE1 TRP 22 1HE TRP 22 2.951 10.244 -0.300 112 HE3 TRP 22 3HE TRP 22 -1.385 7.483 1.170 113 HZ2 TRP 22 2HZ TRP 22 1.792 11.215 2.084 114 HZ3 TRP 22 3HZ TRP 22 -1.651 8.929 3.143 115 HH2 TRP 22 HH TRP 22 -0.094 10.756 3.589 116 H ILE 23 H ILE 23 -0.888 4.075 -0.263 117 HA ILE 23 HA ILE 23 -1.057 2.263 -2.578 118 HB ILE 23 HB ILE 23 -1.748 0.531 -1.200 119 HG12 ILE 23 1HG1 ILE 23 -2.313 1.121 1.306 120 HG13 ILE 23 2HG1 ILE 23 -2.639 2.717 0.641 121 HG21 ILE 23 1HG2 ILE 23 0.260 0.304 -0.287 122 HG22 ILE 23 2HG2 ILE 23 0.512 2.047 -0.375 123 HG23 ILE 23 3HG2 ILE 23 -0.238 1.336 1.054 124 HD11 ILE 23 1HD1 ILE 23 -3.884 0.518 -0.831 125 HD12 ILE 23 2HD1 ILE 23 -4.449 0.713 0.828 126 HD13 ILE 23 3HD1 ILE 23 -4.553 2.062 -0.304 127 H CYS 24 H CYS 24 -3.117 1.633 -3.350 128 HA CYS 24 HA CYS 24 -5.250 3.559 -2.710 129 HB2 CYS 24 1HB CYS 24 -6.057 3.300 -4.975 130 HB3 CYS 24 2HB CYS 24 -4.343 3.695 -5.023 131 HG CYS 24 HG CYS 24 -5.911 0.846 -5.935 132 H CYS 25 H CYS 25 -7.059 2.797 -1.837 133 HA CYS 25 HA CYS 25 -7.446 -0.106 -1.741 134 HB2 CYS 25 1HB CYS 25 -7.402 1.032 0.417 135 HB3 CYS 25 2HB CYS 25 -8.696 2.107 -0.102 136 H ASP 26 H ASP 26 -9.673 -0.931 -1.905 137 HA ASP 26 HA ASP 26 -11.126 0.489 -4.026 138 HB2 ASP 26 1HB ASP 26 -12.272 -1.887 -4.145 139 HB3 ASP 26 2HB ASP 26 -10.705 -1.601 -4.897 140 H LEU 27 H LEU 27 -11.542 -1.104 -0.907 141 HA LEU 27 HA LEU 27 -14.350 -0.786 -0.751 142 HB2 LEU 27 1HB LEU 27 -12.193 -1.272 1.271 143 HB3 LEU 27 2HB LEU 27 -13.863 -1.011 1.771 144 HG LEU 27 HG LEU 27 -13.158 -3.161 -0.200 145 HD11 LEU 27 1HD1 LEU 27 -12.708 -4.709 1.477 146 HD12 LEU 27 2HD1 LEU 27 -13.342 -3.664 2.748 147 HD13 LEU 27 3HD1 LEU 27 -11.801 -3.283 1.980 148 HD21 LEU 27 1HD2 LEU 27 -15.542 -2.281 0.402 149 HD22 LEU 27 2HD2 LEU 27 -15.319 -3.252 1.857 150 HD23 LEU 27 3HD2 LEU 27 -15.243 -4.014 0.268 151 H CYS 28 H CYS 28 -12.011 0.828 1.385 152 HA CYS 28 HA CYS 28 -13.802 3.089 1.650 153 HB2 CYS 28 1HB CYS 28 -12.441 3.786 3.449 154 HB3 CYS 28 2HB CYS 28 -12.463 2.029 3.553 155 H GLU 29 H GLU 29 -10.728 2.330 0.146 156 HA GLU 29 HA GLU 29 -9.463 3.439 -1.386 157 HB2 GLU 29 1HB GLU 29 -11.793 5.341 -1.657 158 HB3 GLU 29 2HB GLU 29 -10.513 5.053 -2.828 159 HG2 GLU 29 1HG GLU 29 -11.363 2.987 -3.444 160 HG3 GLU 29 2HG GLU 29 -12.312 2.827 -1.968 161 H MET 30 H MET 30 -8.913 4.015 1.214 162 HA MET 30 HA MET 30 -8.722 6.911 1.482 163 HB2 MET 30 1HB MET 30 -8.339 4.581 3.301 164 HB3 MET 30 2HB MET 30 -7.474 6.066 3.671 165 HG2 MET 30 1HG MET 30 -10.419 6.092 3.152 166 HG3 MET 30 2HG MET 30 -9.775 5.668 4.737 167 HE1 MET 30 1HE MET 30 -7.590 8.472 5.655 168 HE2 MET 30 2HE MET 30 -9.087 8.268 6.565 169 HE3 MET 30 3HE MET 30 -8.226 6.854 5.955 170 H TRP 31 H TRP 31 -6.437 7.432 2.694 171 HA TRP 31 HA TRP 31 -4.398 6.634 0.728 172 HB2 TRP 31 1HB TRP 31 -4.758 9.142 2.360 173 HB3 TRP 31 2HB TRP 31 -3.226 8.751 1.584 174 HD1 TRP 31 HD TRP 31 -6.929 9.325 0.589 175 HE1 TRP 31 1HE TRP 31 -6.965 10.337 -1.778 176 HE3 TRP 31 3HE TRP 31 -1.923 9.172 -0.435 177 HZ2 TRP 31 2HZ TRP 31 -5.116 10.983 -3.810 178 HZ3 TRP 31 3HZ TRP 31 -1.139 10.006 -2.613 179 HH2 TRP 31 HH TRP 31 -2.704 10.892 -4.265 180 H PHE 32 H PHE 32 -2.635 5.562 1.371 181 HA PHE 32 HA PHE 32 -1.796 5.656 4.159 182 HB2 PHE 32 1HB PHE 32 -2.351 3.025 2.773 183 HB3 PHE 32 2HB PHE 32 -1.767 3.244 4.419 184 HD1 PHE 32 1HD PHE 32 -3.299 4.510 6.042 185 HD2 PHE 32 2HD PHE 32 -4.622 2.864 2.347 186 HE1 PHE 32 1HE PHE 32 -5.620 4.545 6.861 187 HE2 PHE 32 2HE PHE 32 -6.944 2.897 3.159 188 HZ PHE 32 HZ PHE 32 -7.445 3.739 5.418 189 H HIS 33 H HIS 33 0.215 4.063 4.353 190 HA HIS 33 HA HIS 33 1.975 4.749 2.098 191 HB2 HIS 33 1HB HIS 33 2.796 4.040 4.919 192 HB3 HIS 33 2HB HIS 33 3.818 4.706 3.649 193 HD2 HIS 33 2HD HIS 33 1.530 7.126 2.897 194 HE1 HIS 33 1HE HIS 33 2.536 8.397 6.818 195 HE2 HIS 33 2HE HIS 33 1.414 9.023 4.652 196 H GLY 34 H GLY 34 2.762 3.171 0.866 197 HA2 GLY 34 1HA GLY 34 2.010 0.593 0.781 198 HA3 GLY 34 2HA GLY 34 3.624 1.093 0.297 199 H LYS 35 H LYS 35 4.900 1.670 2.569 200 HA LYS 35 HA LYS 35 5.522 -0.856 3.638 201 HB2 LYS 35 1HB LYS 35 7.254 0.727 3.693 202 HB3 LYS 35 2HB LYS 35 6.230 1.958 4.419 203 HG2 LYS 35 1HG LYS 35 7.765 1.200 6.072 204 HG3 LYS 35 2HG LYS 35 6.165 0.587 6.495 205 HD2 LYS 35 1HD LYS 35 7.488 -1.281 6.810 206 HD3 LYS 35 2HD LYS 35 6.919 -1.518 5.157 207 HE2 LYS 35 1HE LYS 35 8.977 -0.799 4.245 208 HE3 LYS 35 2HE LYS 35 9.519 -0.147 5.790 209 HZ1 LYS 35 1HZ LYS 35 10.608 -2.086 5.918 210 HZ2 LYS 35 2HZ LYS 35 9.607 -2.864 4.799 211 HZ3 LYS 35 3HZ LYS 35 9.117 -2.715 6.411 212 H CYS 36 H CYS 36 3.346 1.672 4.686 213 HA CYS 36 HA CYS 36 2.932 0.658 7.319 214 HB2 CYS 36 1HB CYS 36 1.515 2.655 5.581 215 HB3 CYS 36 2HB CYS 36 0.795 2.128 7.099 216 H VAL 37 H VAL 37 1.212 0.329 4.243 217 HA VAL 37 HA VAL 37 -0.843 -1.339 5.383 218 HB VAL 37 HB VAL 37 -1.682 -1.576 3.120 219 HG11 VAL 37 1HG1 VAL 37 -1.492 0.793 4.526 220 HG12 VAL 37 2HG1 VAL 37 -1.020 1.242 2.886 221 HG13 VAL 37 3HG1 VAL 37 -2.578 0.465 3.176 222 HG21 VAL 37 1HG2 VAL 37 0.713 -0.018 2.168 223 HG22 VAL 37 2HG2 VAL 37 0.594 -1.775 2.072 224 HG23 VAL 37 3HG2 VAL 37 -0.550 -0.765 1.189 225 H LYS 38 H LYS 38 2.202 -2.025 5.182 226 HA LYS 38 HA LYS 38 3.464 -3.907 4.992 227 HB2 LYS 38 1HB LYS 38 0.766 -5.272 5.036 228 HB3 LYS 38 2HB LYS 38 2.313 -6.075 5.267 229 HG2 LYS 38 1HG LYS 38 1.313 -3.868 7.047 230 HG3 LYS 38 2HG LYS 38 1.032 -5.582 7.360 231 HD2 LYS 38 1HD LYS 38 3.800 -4.516 6.909 232 HD3 LYS 38 2HD LYS 38 3.040 -4.446 8.501 233 HE2 LYS 38 1HE LYS 38 3.201 -7.000 6.930 234 HE3 LYS 38 2HE LYS 38 4.521 -6.466 7.969 235 HZ1 LYS 38 1HZ LYS 38 1.724 -6.898 8.869 236 HZ2 LYS 38 2HZ LYS 38 3.038 -6.481 9.849 237 HZ3 LYS 38 3HZ LYS 38 2.993 -7.994 9.094 238 H ILE 39 H ILE 39 3.179 -2.614 2.644 239 HA ILE 39 HA ILE 39 3.226 -4.823 0.731 240 HB ILE 39 HB ILE 39 1.559 -2.334 0.416 241 HG12 ILE 39 1HG1 ILE 39 0.897 -5.263 0.042 242 HG13 ILE 39 2HG1 ILE 39 0.535 -4.331 1.491 243 HG21 ILE 39 1HG2 ILE 39 2.795 -4.082 -1.650 244 HG22 ILE 39 2HG2 ILE 39 1.171 -3.459 -1.931 245 HG23 ILE 39 3HG2 ILE 39 2.509 -2.342 -1.666 246 HD11 ILE 39 1HD1 ILE 39 -0.702 -4.184 -1.214 247 HD12 ILE 39 2HD1 ILE 39 -1.467 -4.280 0.373 248 HD13 ILE 39 3HD1 ILE 39 -0.727 -2.771 -0.159 249 H THR 40 H THR 40 5.293 -4.752 0.116 250 HA THR 40 HA THR 40 6.984 -2.548 0.135 251 HB THR 40 HB THR 40 8.364 -3.864 -1.549 252 HG1 THR 40 1HG THR 40 6.660 -6.037 -1.046 253 HG21 THR 40 1HG2 THR 40 7.490 -5.416 0.887 254 HG22 THR 40 2HG2 THR 40 8.583 -4.032 0.939 255 HG23 THR 40 3HG2 THR 40 9.051 -5.493 0.070 256 HA PRO 41 HA PRO 41 5.972 -0.123 -3.383 257 HB2 PRO 41 1HB PRO 41 8.422 0.794 -4.109 258 HB3 PRO 41 2HB PRO 41 7.571 1.364 -2.668 259 HG2 PRO 41 1HG PRO 41 9.754 -0.672 -2.897 260 HG3 PRO 41 2HG PRO 41 9.552 0.622 -1.702 261 HD2 PRO 41 1HD PRO 41 8.904 -1.955 -1.182 262 HD3 PRO 41 2HD PRO 41 8.029 -0.587 -0.464 263 H ALA 42 H ALA 42 7.919 -2.901 -3.636 264 HA ALA 42 HA ALA 42 8.143 -2.726 -6.545 265 HB1 ALA 42 1HB ALA 42 10.081 -3.480 -5.186 266 HB2 ALA 42 2HB ALA 42 9.148 -4.902 -4.719 267 HB3 ALA 42 3HB ALA 42 9.576 -4.645 -6.410 268 H ARG 43 H ARG 43 6.656 -4.739 -4.039 269 HA ARG 43 HA ARG 43 5.471 -6.595 -5.824 270 HB2 ARG 43 1HB ARG 43 5.824 -7.126 -3.467 271 HB3 ARG 43 2HB ARG 43 4.709 -5.850 -2.995 272 HG2 ARG 43 1HG ARG 43 2.878 -7.042 -4.090 273 HG3 ARG 43 2HG ARG 43 3.998 -8.323 -4.558 274 HD2 ARG 43 1HD ARG 43 3.446 -7.495 -1.713 275 HD3 ARG 43 2HD ARG 43 2.651 -8.840 -2.529 276 HE ARG 43 HE ARG 43 5.405 -9.213 -2.753 277 HH11 ARG 43 2HH1 ARG 43 2.957 -9.132 -0.279 278 HH12 ARG 43 1HH1 ARG 43 3.794 -10.229 0.768 279 HH21 ARG 43 2HH2 ARG 43 6.516 -10.659 -1.383 280 HH22 ARG 43 1HH2 ARG 43 5.819 -11.096 0.140 281 H ALA 44 H ALA 44 4.336 -3.605 -4.325 282 HA ALA 44 HA ALA 44 1.676 -3.587 -4.827 283 HB1 ALA 44 1HB ALA 44 2.128 -1.071 -5.500 284 HB2 ALA 44 2HB ALA 44 2.352 -1.642 -3.846 285 HB3 ALA 44 3HB ALA 44 3.745 -1.457 -4.911 286 H GLU 45 H GLU 45 4.241 -3.236 -7.204 287 HA GLU 45 HA GLU 45 2.840 -2.324 -9.397 288 HB2 GLU 45 1HB GLU 45 5.175 -4.189 -9.120 289 HB3 GLU 45 2HB GLU 45 4.497 -3.848 -10.706 290 HG2 GLU 45 1HG GLU 45 5.610 -1.821 -8.780 291 HG3 GLU 45 2HG GLU 45 6.395 -2.414 -10.242 292 H HIS 46 H HIS 46 3.107 -5.638 -8.183 293 HA HIS 46 HA HIS 46 1.470 -6.715 -10.294 294 HB2 HIS 46 1HB HIS 46 2.340 -8.009 -7.702 295 HB3 HIS 46 2HB HIS 46 1.680 -8.834 -9.111 296 HD1 HIS 46 1HD HIS 46 3.285 -9.425 -10.973 297 HD2 HIS 46 2HD HIS 46 5.002 -7.017 -8.055 298 HE1 HIS 46 1HE HIS 46 5.746 -9.394 -11.489 299 HE2 HIS 46 2HE HIS 46 6.775 -8.001 -9.661 300 H ILE 47 H ILE 47 1.022 -5.632 -6.997 301 HA ILE 47 HA ILE 47 -1.590 -6.732 -6.667 302 HB ILE 47 HB ILE 47 -0.226 -4.482 -5.184 303 HG12 ILE 47 1HG1 ILE 47 -0.606 -7.396 -4.461 304 HG13 ILE 47 2HG1 ILE 47 0.903 -6.672 -5.006 305 HG21 ILE 47 1HG2 ILE 47 -2.924 -5.104 -5.201 306 HG22 ILE 47 2HG2 ILE 47 -2.306 -5.904 -3.756 307 HG23 ILE 47 3HG2 ILE 47 -2.069 -4.170 -3.974 308 HD11 ILE 47 1HD1 ILE 47 -0.561 -6.192 -2.432 309 HD12 ILE 47 2HD1 ILE 47 1.059 -6.851 -2.669 310 HD13 ILE 47 3HD1 ILE 47 0.741 -5.148 -3.002 311 H LYS 48 H LYS 48 -3.477 -5.995 -7.382 312 HA LYS 48 HA LYS 48 -3.552 -3.344 -8.642 313 HB2 LYS 48 1HB LYS 48 -4.173 -5.401 -9.970 314 HB3 LYS 48 2HB LYS 48 -5.573 -5.571 -8.920 315 HG2 LYS 48 1HG LYS 48 -6.211 -3.223 -9.622 316 HG3 LYS 48 2HG LYS 48 -4.970 -3.368 -10.868 317 HD2 LYS 48 1HD LYS 48 -7.081 -5.471 -10.568 318 HD3 LYS 48 2HD LYS 48 -7.420 -3.979 -11.448 319 HE2 LYS 48 1HE LYS 48 -5.000 -5.637 -12.070 320 HE3 LYS 48 2HE LYS 48 -6.572 -6.024 -12.766 321 HZ1 LYS 48 1HZ LYS 48 -6.352 -3.373 -13.226 322 HZ2 LYS 48 2HZ LYS 48 -5.986 -4.585 -14.348 323 HZ3 LYS 48 3HZ LYS 48 -4.753 -3.892 -13.419 324 H GLN 49 H GLN 49 -5.934 -5.415 -6.978 325 HA GLN 49 HA GLN 49 -6.885 -3.007 -5.572 326 HB2 GLN 49 1HB GLN 49 -9.029 -4.466 -5.332 327 HB3 GLN 49 2HB GLN 49 -8.703 -3.652 -6.857 328 HG2 GLN 49 1HG GLN 49 -7.681 -5.783 -7.675 329 HG3 GLN 49 2HG GLN 49 -8.269 -6.553 -6.202 330 HE21 GLN 49 1HE2 GLN 49 -8.994 -5.677 -9.365 331 HE22 GLN 49 2HE2 GLN 49 -10.685 -6.028 -9.345 332 H TYR 50 H TYR 50 -5.593 -3.187 -3.758 333 HA TYR 50 HA TYR 50 -5.702 -5.673 -2.223 334 HB2 TYR 50 1HB TYR 50 -3.490 -4.874 -2.376 335 HB3 TYR 50 2HB TYR 50 -3.977 -3.211 -2.068 336 HD1 TYR 50 1HD TYR 50 -3.788 -6.558 -0.444 337 HD2 TYR 50 2HD TYR 50 -3.840 -2.338 0.090 338 HE1 TYR 50 1HE TYR 50 -3.279 -6.860 1.943 339 HE2 TYR 50 2HE TYR 50 -3.330 -2.628 2.478 340 HH TYR 50 HH TYR 50 -3.803 -4.888 4.198 341 H LYS 51 H LYS 51 -6.325 -5.718 -0.029 342 HA LYS 51 HA LYS 51 -8.375 -3.743 0.619 343 HB2 LYS 51 1HB LYS 51 -8.748 -6.270 0.721 344 HB3 LYS 51 2HB LYS 51 -7.742 -6.253 2.163 345 HG2 LYS 51 1HG LYS 51 -9.327 -5.222 3.428 346 HG3 LYS 51 2HG LYS 51 -10.025 -4.363 2.054 347 HD2 LYS 51 1HD LYS 51 -11.141 -6.333 1.296 348 HD3 LYS 51 2HD LYS 51 -10.277 -7.339 2.461 349 HE2 LYS 51 1HE LYS 51 -11.602 -6.705 4.194 350 HE3 LYS 51 2HE LYS 51 -11.851 -5.082 3.552 351 HZ1 LYS 51 1HZ LYS 51 -13.062 -6.884 1.802 352 HZ2 LYS 51 2HZ LYS 51 -13.808 -5.737 2.796 353 HZ3 LYS 51 3HZ LYS 51 -13.548 -7.309 3.366 354 H CYS 52 H CYS 52 -7.304 -1.973 1.405 355 HA CYS 52 HA CYS 52 -5.085 -1.668 2.866 356 HB2 CYS 52 1HB CYS 52 -5.921 0.367 3.676 357 HB3 CYS 52 2HB CYS 52 -6.854 0.088 2.208 358 HA PRO 53 HA PRO 53 -5.348 -3.724 6.734 359 HB2 PRO 53 1HB PRO 53 -3.985 -2.021 8.351 360 HB3 PRO 53 2HB PRO 53 -3.196 -3.022 7.127 361 HG2 PRO 53 1HG PRO 53 -3.975 -0.134 6.999 362 HG3 PRO 53 2HG PRO 53 -2.479 -0.915 6.453 363 HD2 PRO 53 1HD PRO 53 -4.477 -0.243 4.753 364 HD3 PRO 53 2HD PRO 53 -3.435 -1.656 4.490 365 H SER 54 H SER 54 -6.924 -0.805 6.183 366 HA SER 54 HA SER 54 -8.024 -0.611 8.883 367 HB2 SER 54 1HB SER 54 -7.367 1.485 7.834 368 HB3 SER 54 2HB SER 54 -8.401 1.147 6.446 369 HG SER 54 HG SER 54 -10.098 1.745 7.558 370 H CYS 55 H CYS 55 -8.804 -1.823 5.761 371 HA CYS 55 HA CYS 55 -11.657 -1.983 6.356 372 HB2 CYS 55 1HB CYS 55 -9.996 -2.536 3.910 373 HB3 CYS 55 2HB CYS 55 -11.657 -3.109 4.024 374 H SER 56 H SER 56 -9.039 -4.210 5.402 375 HA SER 56 HA SER 56 -10.356 -6.605 5.681 376 HB2 SER 56 1HB SER 56 -7.486 -5.830 6.138 377 HB3 SER 56 2HB SER 56 -8.021 -7.490 6.396 378 HG SER 56 HG SER 56 -7.388 -6.331 4.111 379 H ASN 57 H ASN 57 -9.584 -4.358 8.122 380 HA ASN 57 HA ASN 57 -9.596 -6.259 10.298 381 HB2 ASN 57 1HB ASN 57 -9.370 -4.322 11.745 382 HB3 ASN 57 2HB ASN 57 -8.248 -4.178 10.395 383 HD21 ASN 57 1HD2 ASN 57 -8.169 -1.928 10.827 384 HD22 ASN 57 2HD2 ASN 57 -9.434 -0.882 10.286 385 H LYS 58 H LYS 58 -11.938 -6.050 8.494 386 HA LYS 58 HA LYS 58 -13.977 -5.332 10.498 387 HB2 LYS 58 1HB LYS 58 -15.451 -4.673 8.784 388 HB3 LYS 58 2HB LYS 58 -13.896 -3.990 8.325 389 HG2 LYS 58 1HG LYS 58 -13.599 -5.501 6.592 390 HG3 LYS 58 2HG LYS 58 -14.763 -6.647 7.261 391 HD2 LYS 58 1HD LYS 58 -16.580 -5.455 6.489 392 HD3 LYS 58 2HD LYS 58 -15.691 -3.931 6.439 393 HE2 LYS 58 1HE LYS 58 -14.748 -4.392 4.401 394 HE3 LYS 58 2HE LYS 58 -14.829 -6.137 4.637 395 HZ1 LYS 58 1HZ LYS 58 -16.424 -5.635 3.015 396 HZ2 LYS 58 2HZ LYS 58 -17.015 -4.298 3.864 397 HZ3 LYS 58 3HZ LYS 58 -17.316 -5.862 4.434 398 H SER 59 H SER 59 -16.123 -6.551 9.982 399 HA SER 59 HA SER 59 -15.435 -9.394 9.880 400 HB2 SER 59 1HB SER 59 -17.614 -7.802 11.139 401 HB3 SER 59 2HB SER 59 -17.998 -9.450 10.640 402 HG SER 59 HG SER 59 -15.848 -8.687 12.333 403 H GLY 60 H GLY 60 -15.248 -9.636 7.628 404 HA2 GLY 60 1HA GLY 60 -17.588 -9.031 5.987 405 HA3 GLY 60 2HA GLY 60 -16.020 -9.568 5.404 406 HA PRO 61 HA PRO 61 -19.201 -13.084 5.597 407 HB2 PRO 61 1HB PRO 61 -19.579 -13.382 2.925 408 HB3 PRO 61 2HB PRO 61 -20.573 -12.313 3.923 409 HG2 PRO 61 1HG PRO 61 -18.253 -11.639 2.154 410 HG3 PRO 61 2HG PRO 61 -19.799 -10.791 2.344 411 HD2 PRO 61 1HD PRO 61 -17.522 -9.957 3.549 412 HD3 PRO 61 2HD PRO 61 -19.125 -9.734 4.278 413 H SER 62 H SER 62 -18.388 -15.088 5.663 414 HA SER 62 HA SER 62 -15.804 -15.792 5.303 415 HB2 SER 62 1HB SER 62 -17.509 -17.260 6.327 416 HB3 SER 62 2HB SER 62 -18.162 -17.604 4.726 417 HG SER 62 HG SER 62 -15.841 -18.522 5.938 418 H SER 63 H SER 63 -14.457 -16.422 3.689 419 HA SER 63 HA SER 63 -15.531 -16.277 0.948 420 HB2 SER 63 1HB SER 63 -13.392 -15.424 0.219 421 HB3 SER 63 2HB SER 63 -13.933 -14.454 1.589 422 HG SER 63 HG SER 63 -11.673 -15.818 1.338 423 H GLY 64 H GLY 64 -15.667 -18.678 2.331 424 HA2 GLY 64 1HA GLY 64 -13.420 -20.264 1.283 425 HA3 GLY 64 2HA GLY 64 -14.537 -20.785 2.535
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