NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
509732 | 2kyq | 16978 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 2 H ASP 2 -18.137 3.945 5.067 2 HA ASP 2 HA ASP 2 -17.098 5.657 2.956 3 HB2 ASP 2 1HB ASP 2 -18.724 6.620 4.492 4 HB3 ASP 2 2HB ASP 2 -17.699 6.220 5.867 5 H CYS 3 H CYS 3 -15.080 4.762 2.521 6 HA CYS 3 HA CYS 3 -13.073 5.209 4.625 7 HB2 CYS 3 1HB CYS 3 -12.841 2.962 2.631 8 HB3 CYS 3 2HB CYS 3 -11.937 3.199 4.123 9 H LYS 4 H LYS 4 -10.791 5.172 3.590 10 HA LYS 4 HA LYS 4 -10.843 6.458 0.949 11 HB2 LYS 4 1HB LYS 4 -9.012 8.000 1.869 12 HB3 LYS 4 2HB LYS 4 -10.670 8.336 2.347 13 HG2 LYS 4 1HG LYS 4 -9.038 6.588 4.105 14 HG3 LYS 4 2HG LYS 4 -8.693 8.319 4.090 15 HD2 LYS 4 1HD LYS 4 -11.532 7.481 4.328 16 HD3 LYS 4 2HD LYS 4 -10.488 7.243 5.731 17 HE2 LYS 4 1HE LYS 4 -9.830 9.636 5.566 18 HE3 LYS 4 2HE LYS 4 -11.013 9.830 4.276 19 HZ1 LYS 4 3HZ LYS 4 -12.761 9.223 5.804 20 HZ2 LYS 4 1HZ LYS 4 -11.877 10.519 6.441 21 HZ3 LYS 4 2HZ LYS 4 -11.640 8.957 7.043 22 H ARG 5 H ARG 5 -8.838 6.363 -0.212 23 HA ARG 5 HA ARG 5 -6.772 4.601 0.845 24 HB2 ARG 5 1HB ARG 5 -6.817 3.215 -1.235 25 HB3 ARG 5 2HB ARG 5 -8.225 3.008 -0.204 26 HG2 ARG 5 1HG ARG 5 -9.180 3.134 -2.288 27 HG3 ARG 5 2HG ARG 5 -9.288 4.810 -1.745 28 HD2 ARG 5 1HD ARG 5 -7.706 5.531 -3.219 29 HD3 ARG 5 2HD ARG 5 -6.839 3.996 -3.205 30 HE ARG 5 HE ARG 5 -9.338 3.637 -4.438 31 HH11 ARG 5 1HH1 ARG 5 -6.269 5.186 -4.987 32 HH12 ARG 5 2HH1 ARG 5 -6.371 5.071 -6.711 33 HH21 ARG 5 1HH2 ARG 5 -9.485 3.480 -6.709 34 HH22 ARG 5 2HH2 ARG 5 -8.202 4.101 -7.691 35 H LYS 6 H LYS 6 -4.802 4.647 -0.397 36 HA LYS 6 HA LYS 6 -4.539 6.497 -2.585 37 HB2 LYS 6 1HB LYS 6 -4.522 8.110 -0.798 38 HB3 LYS 6 2HB LYS 6 -3.365 7.154 0.119 39 HG2 LYS 6 1HG LYS 6 -1.593 7.758 -1.226 40 HG3 LYS 6 2HG LYS 6 -2.635 8.159 -2.594 41 HD2 LYS 6 1HD LYS 6 -2.905 9.745 -0.088 42 HD3 LYS 6 2HD LYS 6 -1.508 10.041 -1.126 43 HE2 LYS 6 1HE LYS 6 -3.342 10.113 -3.010 44 HE3 LYS 6 2HE LYS 6 -4.408 10.487 -1.658 45 HZ1 LYS 6 3HZ LYS 6 -3.343 12.426 -2.869 46 HZ2 LYS 6 1HZ LYS 6 -1.896 11.979 -2.114 47 HZ3 LYS 6 2HZ LYS 6 -3.232 12.431 -1.180 48 H VAL 7 H VAL 7 -2.649 6.206 -3.735 49 HA VAL 7 HA VAL 7 -0.978 3.957 -2.839 50 HB VAL 7 HB VAL 7 -2.115 3.544 -4.951 51 HG11 VAL 7 1HG1 VAL 7 -1.632 4.894 -6.936 52 HG12 VAL 7 2HG1 VAL 7 -2.410 5.853 -5.676 53 HG13 VAL 7 3HG1 VAL 7 -0.674 5.998 -5.951 54 HG21 VAL 7 3HG2 VAL 7 0.838 4.037 -5.339 55 HG22 VAL 7 1HG2 VAL 7 0.115 2.597 -4.621 56 HG23 VAL 7 2HG2 VAL 7 -0.172 2.975 -6.320 57 H TYR 8 H TYR 8 1.218 4.131 -2.740 58 HA TYR 8 HA TYR 8 2.366 6.779 -3.338 59 HB2 TYR 8 1HB TYR 8 2.070 5.858 -0.834 60 HB3 TYR 8 2HB TYR 8 3.619 5.117 -1.219 61 HD1 TYR 8 HD1 TYR 8 2.065 8.454 -1.899 62 HD2 TYR 8 HD2 TYR 8 5.384 6.300 -0.335 63 HE1 TYR 8 HE1 TYR 8 3.199 10.579 -1.394 64 HE2 TYR 8 HE2 TYR 8 6.526 8.417 0.175 65 HH TYR 8 HH TYR 8 4.953 11.540 -0.410 66 H GLU 9 H GLU 9 3.068 6.068 -5.382 67 HA GLU 9 HA GLU 9 4.534 3.743 -5.889 68 HB2 GLU 9 1HB GLU 9 5.095 4.697 -7.983 69 HB3 GLU 9 2HB GLU 9 3.498 5.314 -7.584 70 HG2 GLU 9 1HG GLU 9 4.890 7.304 -6.571 71 HG3 GLU 9 2HG GLU 9 6.104 6.731 -7.713 72 H ASN 10 H ASN 10 5.438 6.652 -4.314 73 HA ASN 10 HA ASN 10 8.174 6.774 -4.812 74 HB2 ASN 10 1HB ASN 10 6.364 7.730 -2.670 75 HB3 ASN 10 2HB ASN 10 8.070 7.623 -2.247 76 HD21 ASN 10 2HD2 ASN 10 5.750 9.068 -4.431 77 HD22 ASN 10 1HD2 ASN 10 6.742 10.399 -4.909 78 H TYR 11 H TYR 11 6.340 4.576 -2.858 79 HA TYR 11 HA TYR 11 8.517 3.632 -1.271 80 HB2 TYR 11 1HB TYR 11 5.721 2.700 -1.805 81 HB3 TYR 11 2HB TYR 11 6.853 1.625 -0.990 82 HD1 TYR 11 HD1 TYR 11 8.349 3.354 0.768 83 HD2 TYR 11 HD2 TYR 11 4.216 3.488 -0.235 84 HE1 TYR 11 HE1 TYR 11 7.872 4.468 2.908 85 HE2 TYR 11 HE2 TYR 11 3.728 4.603 1.902 86 HH TYR 11 HH TYR 11 4.719 5.776 3.636 87 HA PRO 12 HA PRO 12 10.474 0.776 -3.965 88 HB2 PRO 12 1HB PRO 12 11.148 -1.218 -2.250 89 HB3 PRO 12 2HB PRO 12 11.956 0.354 -2.261 90 HG2 PRO 12 1HG PRO 12 9.792 -0.651 -0.454 91 HG3 PRO 12 2HG PRO 12 11.246 0.278 -0.047 92 HD2 PRO 12 1HD PRO 12 8.803 1.423 -0.280 93 HD3 PRO 12 2HD PRO 12 10.303 2.278 -0.697 94 H VAL 13 H VAL 13 9.713 -0.638 -5.405 95 HA VAL 13 HA VAL 13 7.222 -1.947 -5.061 96 HB VAL 13 HB VAL 13 9.338 -2.402 -7.169 97 HG11 VAL 13 1HG1 VAL 13 6.578 -3.453 -6.794 98 HG12 VAL 13 2HG1 VAL 13 7.139 -3.103 -8.430 99 HG13 VAL 13 3HG1 VAL 13 8.016 -4.256 -7.424 100 HG21 VAL 13 3HG2 VAL 13 7.371 -0.295 -6.735 101 HG22 VAL 13 1HG2 VAL 13 8.775 -0.333 -7.801 102 HG23 VAL 13 2HG2 VAL 13 7.248 -1.044 -8.326 103 H SER 14 H SER 14 10.541 -2.922 -4.605 104 HA SER 14 HA SER 14 10.298 -5.690 -4.675 105 HB2 SER 14 1HB SER 14 12.189 -5.507 -2.840 106 HB3 SER 14 2HB SER 14 12.498 -5.002 -4.501 107 HG SER 14 HG SER 14 13.193 -3.405 -3.067 108 H LYS 15 H LYS 15 9.320 -3.403 -2.236 109 HA LYS 15 HA LYS 15 8.962 -5.303 -0.135 110 HB2 LYS 15 1HB LYS 15 8.287 -2.441 -0.582 111 HB3 LYS 15 2HB LYS 15 7.366 -3.303 0.643 112 HG2 LYS 15 1HG LYS 15 9.302 -2.122 1.575 113 HG3 LYS 15 2HG LYS 15 9.393 -3.866 1.829 114 HD2 LYS 15 1HD LYS 15 10.973 -4.102 0.037 115 HD3 LYS 15 2HD LYS 15 10.773 -2.410 -0.424 116 HE2 LYS 15 1HE LYS 15 11.970 -3.460 2.137 117 HE3 LYS 15 2HE LYS 15 12.830 -2.676 0.813 118 HZ1 LYS 15 3HZ LYS 15 11.438 -1.500 2.997 119 HZ2 LYS 15 1HZ LYS 15 10.851 -0.914 1.523 120 HZ3 LYS 15 2HZ LYS 15 12.497 -0.782 1.891 121 H CYS 16 H CYS 16 7.088 -4.295 -2.852 122 HA CYS 16 HA CYS 16 4.492 -4.796 -2.062 123 HB2 CYS 16 1HB CYS 16 5.072 -3.887 -4.262 124 HB3 CYS 16 2HB CYS 16 5.763 -5.437 -4.732 125 H GLN 17 H GLN 17 7.026 -7.076 -2.898 126 HA GLN 17 HA GLN 17 5.500 -9.392 -3.178 127 HB2 GLN 17 1HB GLN 17 8.269 -9.194 -1.985 128 HB3 GLN 17 2HB GLN 17 7.542 -10.620 -2.713 129 HG2 GLN 17 1HG GLN 17 7.443 -9.419 -4.870 130 HG3 GLN 17 2HG GLN 17 8.285 -8.066 -4.116 131 HE21 GLN 17 2HE2 GLN 17 9.419 -9.121 -6.275 132 HE22 GLN 17 1HE2 GLN 17 10.807 -10.063 -5.862 133 H LEU 18 H LEU 18 6.531 -7.671 -0.323 134 HA LEU 18 HA LEU 18 5.768 -9.805 1.474 135 HB2 LEU 18 1HB LEU 18 6.869 -7.048 1.785 136 HB3 LEU 18 2HB LEU 18 6.119 -7.842 3.168 137 HG LEU 18 HG LEU 18 8.681 -7.974 2.874 138 HD11 LEU 18 1HD1 LEU 18 8.646 -10.353 3.722 139 HD12 LEU 18 2HD1 LEU 18 6.902 -10.326 3.459 140 HD13 LEU 18 3HD1 LEU 18 7.639 -9.200 4.600 141 HD21 LEU 18 3HD2 LEU 18 8.575 -8.660 0.495 142 HD22 LEU 18 1HD2 LEU 18 7.849 -10.185 1.001 143 HD23 LEU 18 2HD2 LEU 18 9.490 -9.781 1.505 144 H ALA 19 H ALA 19 3.872 -10.034 2.503 145 HA ALA 19 HA ALA 19 1.719 -8.199 1.801 146 HB1 ALA 19 3HB ALA 19 0.809 -10.244 1.519 147 HB2 ALA 19 1HB ALA 19 1.898 -11.007 2.678 148 HB3 ALA 19 2HB ALA 19 0.490 -10.109 3.248 149 H ASN 20 H ASN 20 3.633 -9.164 4.543 150 HA ASN 20 HA ASN 20 1.900 -7.775 6.424 151 HB2 ASN 20 1HB ASN 20 4.414 -9.411 6.734 152 HB3 ASN 20 2HB ASN 20 3.730 -8.492 8.071 153 HD21 ASN 20 2HD2 ASN 20 3.958 -11.466 6.990 154 HD22 ASN 20 1HD2 ASN 20 2.430 -12.120 7.460 155 H GLN 21 H GLN 21 4.518 -7.070 4.410 156 HA GLN 21 HA GLN 21 5.677 -5.012 6.071 157 HB2 GLN 21 1HB GLN 21 7.056 -6.307 4.483 158 HB3 GLN 21 2HB GLN 21 6.132 -5.636 3.147 159 HG2 GLN 21 1HG GLN 21 7.892 -4.221 3.096 160 HG3 GLN 21 2HG GLN 21 6.892 -3.356 4.261 161 HE21 GLN 21 2HE2 GLN 21 9.933 -4.197 3.669 162 HE22 GLN 21 1HE2 GLN 21 10.547 -4.351 5.276 163 H CYS 22 H CYS 22 3.538 -5.200 3.268 164 HA CYS 22 HA CYS 22 3.400 -2.478 2.655 165 HB2 CYS 22 1HB CYS 22 2.060 -4.867 1.868 166 HB3 CYS 22 2HB CYS 22 0.837 -3.652 2.224 167 H ASN 23 H ASN 23 0.950 -4.353 4.452 168 HA ASN 23 HA ASN 23 -0.493 -2.157 5.381 169 HB2 ASN 23 1HB ASN 23 -1.702 -3.659 6.666 170 HB3 ASN 23 2HB ASN 23 -1.017 -4.727 5.444 171 HD21 ASN 23 2HD2 ASN 23 0.155 -6.404 6.089 172 HD22 ASN 23 1HD2 ASN 23 0.704 -6.678 7.705 173 H TYR 24 H TYR 24 2.455 -3.586 6.535 174 HA TYR 24 HA TYR 24 2.432 -2.501 9.150 175 HB2 TYR 24 1HB TYR 24 3.922 -4.303 8.740 176 HB3 TYR 24 2HB TYR 24 4.647 -3.489 7.359 177 HD1 TYR 24 HD1 TYR 24 4.337 -3.358 11.054 178 HD2 TYR 24 HD2 TYR 24 6.527 -2.099 7.630 179 HE1 TYR 24 HE1 TYR 24 6.095 -2.456 12.518 180 HE2 TYR 24 HE2 TYR 24 8.293 -1.195 9.085 181 HH TYR 24 HH TYR 24 8.132 -0.330 11.853 182 H ASP 25 H ASP 25 3.851 -1.380 6.098 183 HA ASP 25 HA ASP 25 4.884 1.032 7.273 184 HB2 ASP 25 1HB ASP 25 6.140 0.272 5.442 185 HB3 ASP 25 2HB ASP 25 4.703 -0.033 4.467 186 H CYS 26 H CYS 26 1.953 0.050 5.690 187 HA CYS 26 HA CYS 26 1.040 2.699 5.087 188 HB2 CYS 26 1HB CYS 26 -0.288 -0.006 5.108 189 HB3 CYS 26 2HB CYS 26 -1.190 1.470 4.782 190 H LYS 27 H LYS 27 0.017 0.248 7.466 191 HA LYS 27 HA LYS 27 -1.732 1.974 8.864 192 HB2 LYS 27 1HB LYS 27 -0.342 -0.516 9.871 193 HB3 LYS 27 2HB LYS 27 -1.752 0.246 10.594 194 HG2 LYS 27 1HG LYS 27 -3.167 -0.477 8.932 195 HG3 LYS 27 2HG LYS 27 -1.864 -0.649 7.752 196 HD2 LYS 27 1HD LYS 27 -2.476 -2.849 8.328 197 HD3 LYS 27 2HD LYS 27 -0.988 -2.529 9.224 198 HE2 LYS 27 1HE LYS 27 -2.513 -3.613 10.707 199 HE3 LYS 27 2HE LYS 27 -2.400 -1.923 11.195 200 HZ1 LYS 27 3HZ LYS 27 -4.528 -2.744 9.342 201 HZ2 LYS 27 1HZ LYS 27 -4.510 -1.475 10.462 202 HZ3 LYS 27 2HZ LYS 27 -4.703 -3.069 10.994 203 H LEU 28 H LEU 28 1.626 1.875 8.730 204 HA LEU 28 HA LEU 28 2.155 2.734 11.424 205 HB2 LEU 28 1HB LEU 28 3.897 1.542 10.387 206 HB3 LEU 28 2HB LEU 28 3.810 2.527 8.928 207 HG LEU 28 HG LEU 28 4.526 4.011 11.358 208 HD11 LEU 28 1HD1 LEU 28 6.684 2.295 10.220 209 HD12 LEU 28 2HD1 LEU 28 5.632 1.649 11.480 210 HD13 LEU 28 3HD1 LEU 28 6.590 3.097 11.788 211 HD21 LEU 28 3HD2 LEU 28 6.396 4.118 9.186 212 HD22 LEU 28 1HD2 LEU 28 5.331 5.378 9.806 213 HD23 LEU 28 2HD2 LEU 28 4.750 4.262 8.570 214 H ASP 29 H ASP 29 2.621 4.335 8.267 215 HA ASP 29 HA ASP 29 2.477 6.930 9.599 216 HB2 ASP 29 1HB ASP 29 3.596 5.920 7.052 217 HB3 ASP 29 2HB ASP 29 2.919 7.545 7.000 218 H LYS 30 H LYS 30 0.998 5.282 6.809 219 HA LYS 30 HA LYS 30 -0.986 7.282 6.410 220 HB2 LYS 30 1HB LYS 30 -1.172 4.414 5.500 221 HB3 LYS 30 2HB LYS 30 -1.900 5.834 4.759 222 HG2 LYS 30 1HG LYS 30 0.871 6.297 4.805 223 HG3 LYS 30 2HG LYS 30 0.643 4.635 4.255 224 HD2 LYS 30 1HD LYS 30 0.440 5.701 2.253 225 HD3 LYS 30 2HD LYS 30 -1.242 5.796 2.781 226 HE2 LYS 30 1HE LYS 30 0.549 7.983 3.650 227 HE3 LYS 30 2HE LYS 30 0.158 7.920 1.932 228 HZ1 LYS 30 3HZ LYS 30 -1.577 8.470 4.214 229 HZ2 LYS 30 1HZ LYS 30 -2.254 7.610 2.924 230 HZ3 LYS 30 2HZ LYS 30 -1.586 9.141 2.661 231 H HIS 31 H HIS 31 -0.633 4.924 8.761 232 HA HIS 31 HA HIS 31 -2.008 3.997 10.326 233 HB2 HIS 31 1HB HIS 31 -3.357 6.625 9.747 234 HB3 HIS 31 2HB HIS 31 -3.988 5.518 10.961 235 HD1 HIS 31 HD1 HIS 31 -1.923 4.749 12.741 236 HD2 HIS 31 HD2 HIS 31 -1.691 8.437 10.839 237 HE1 HIS 31 HE1 HIS 31 -0.341 6.124 14.131 238 H ALA 32 H ALA 32 -2.498 3.377 7.458 239 HA ALA 32 HA ALA 32 -5.240 3.151 6.915 240 HB1 ALA 32 3HB ALA 32 -4.534 2.271 4.995 241 HB2 ALA 32 1HB ALA 32 -2.895 2.531 5.592 242 HB3 ALA 32 2HB ALA 32 -3.679 0.967 5.816 243 H ARG 33 H ARG 33 -5.693 0.479 6.326 244 HA ARG 33 HA ARG 33 -5.584 -0.862 8.940 245 HB2 ARG 33 1HB ARG 33 -7.828 0.311 8.324 246 HB3 ARG 33 2HB ARG 33 -8.037 -1.044 7.223 247 HG2 ARG 33 1HG ARG 33 -7.718 -2.570 9.182 248 HG3 ARG 33 2HG ARG 33 -7.768 -1.140 10.216 249 HD2 ARG 33 1HD ARG 33 -10.000 -0.602 9.282 250 HD3 ARG 33 2HD ARG 33 -9.945 -2.109 8.367 251 HE ARG 33 HE ARG 33 -10.545 -3.216 10.266 252 HH11 ARG 33 1HH1 ARG 33 -9.223 -0.121 11.156 253 HH12 ARG 33 2HH1 ARG 33 -9.588 -0.302 12.840 254 HH21 ARG 33 1HH2 ARG 33 -11.031 -3.467 12.480 255 HH22 ARG 33 2HH2 ARG 33 -10.616 -2.207 13.593 256 H SER 34 H SER 34 -6.075 -1.156 5.456 257 HA SER 34 HA SER 34 -5.061 -3.917 5.627 258 HB2 SER 34 1HB SER 34 -7.523 -3.779 5.085 259 HB3 SER 34 2HB SER 34 -7.080 -2.952 3.592 260 HG SER 34 HG SER 34 -6.470 -5.598 4.383 261 H GLY 35 H GLY 35 -3.439 -1.652 5.272 262 HA2 GLY 35 1HA GLY 35 -2.865 -0.814 2.722 263 HA3 GLY 35 2HA GLY 35 -1.645 -1.050 3.965 264 H GLU 36 H GLU 36 -2.536 -1.904 0.908 265 HA GLU 36 HA GLU 36 -0.625 -4.090 0.879 266 HB2 GLU 36 1HB GLU 36 -3.170 -4.844 1.211 267 HB3 GLU 36 2HB GLU 36 -3.172 -4.672 -0.539 268 HG2 GLU 36 1HG GLU 36 -1.205 -6.193 -0.623 269 HG3 GLU 36 2HG GLU 36 -1.399 -6.456 1.109 270 H CYS 37 H CYS 37 -0.091 -4.769 -1.355 271 HA CYS 37 HA CYS 37 -0.256 -2.458 -3.161 272 HB2 CYS 37 1HB CYS 37 1.766 -3.222 -4.172 273 HB3 CYS 37 2HB CYS 37 2.000 -3.322 -2.431 274 H PHE 38 H PHE 38 -0.661 -2.764 -5.395 275 HA PHE 38 HA PHE 38 -1.497 -5.335 -6.380 276 HB2 PHE 38 1HB PHE 38 -3.467 -3.308 -5.492 277 HB3 PHE 38 2HB PHE 38 -3.785 -4.072 -7.046 278 HD1 PHE 38 HD1 PHE 38 -3.177 -6.775 -6.850 279 HD2 PHE 38 HD2 PHE 38 -4.664 -4.230 -3.781 280 HE1 PHE 38 HE1 PHE 38 -4.128 -8.728 -5.696 281 HE2 PHE 38 HE2 PHE 38 -5.616 -6.180 -2.620 282 HZ PHE 38 HZ PHE 38 -5.349 -8.432 -3.579 283 H TYR 39 H TYR 39 -1.861 -5.353 -8.649 284 HA TYR 39 HA TYR 39 -0.205 -3.654 -10.120 285 HB2 TYR 39 1HB TYR 39 -1.208 -4.679 -12.113 286 HB3 TYR 39 2HB TYR 39 -0.840 -5.892 -10.891 287 HD1 TYR 39 HD2 TYR 39 -3.516 -4.110 -12.652 288 HD2 TYR 39 HD1 TYR 39 -2.612 -7.086 -9.749 289 HE1 TYR 39 HE2 TYR 39 -5.841 -4.903 -12.751 290 HE2 TYR 39 HE1 TYR 39 -4.934 -7.890 -9.841 291 HH TYR 39 HH TYR 39 -6.969 -7.552 -10.673 292 H ASP 40 H ASP 40 -0.512 -1.800 -11.233 293 HA ASP 40 HA ASP 40 -3.031 -0.395 -10.786 294 HB2 ASP 40 1HB ASP 40 -0.479 0.469 -10.549 295 HB3 ASP 40 2HB ASP 40 -0.818 0.967 -12.204 296 H GLU 41 H GLU 41 -3.172 1.345 -12.848 297 HA GLU 41 HA GLU 41 -4.233 -0.295 -14.940 298 HB2 GLU 41 1HB GLU 41 -4.895 1.818 -15.983 299 HB3 GLU 41 2HB GLU 41 -5.335 1.788 -14.280 300 HG2 GLU 41 1HG GLU 41 -3.808 3.389 -13.711 301 HG3 GLU 41 2HG GLU 41 -2.737 3.005 -15.056 302 H LYS 42 H LYS 42 -1.209 1.157 -14.325 303 HA LYS 42 HA LYS 42 -0.424 0.976 -17.150 304 HB2 LYS 42 1HB LYS 42 0.986 2.285 -14.817 305 HB3 LYS 42 2HB LYS 42 1.571 2.270 -16.476 306 HG2 LYS 42 1HG LYS 42 -0.703 3.379 -17.028 307 HG3 LYS 42 2HG LYS 42 -0.742 3.750 -15.303 308 HD2 LYS 42 1HD LYS 42 0.252 5.633 -16.267 309 HD3 LYS 42 2HD LYS 42 1.617 4.698 -15.652 310 HE2 LYS 42 1HE LYS 42 2.074 3.831 -17.854 311 HE3 LYS 42 2HE LYS 42 0.624 4.602 -18.498 312 HZ1 LYS 42 3HZ LYS 42 2.622 6.298 -17.193 313 HZ2 LYS 42 1HZ LYS 42 1.592 6.646 -18.489 314 HZ3 LYS 42 2HZ LYS 42 2.975 5.705 -18.737 315 H ARG 43 H ARG 43 -0.789 -1.313 -15.300 316 HA ARG 43 HA ARG 43 0.224 -3.281 -14.773 317 HB2 ARG 43 1HB ARG 43 2.040 -2.304 -16.973 318 HB3 ARG 43 2HB ARG 43 2.245 -3.872 -16.207 319 HG2 ARG 43 1HG ARG 43 0.973 -4.498 -17.974 320 HG3 ARG 43 2HG ARG 43 -0.317 -4.101 -16.836 321 HD2 ARG 43 1HD ARG 43 -1.038 -2.925 -18.654 322 HD3 ARG 43 2HD ARG 43 -0.024 -1.698 -17.893 323 HE ARG 43 HE ARG 43 1.493 -3.244 -19.713 324 HH11 ARG 43 1HH1 ARG 43 -0.934 -0.750 -19.595 325 HH12 ARG 43 2HH1 ARG 43 -0.479 -0.053 -21.113 326 HH21 ARG 43 1HH2 ARG 43 2.102 -2.335 -21.715 327 HH22 ARG 43 2HH2 ARG 43 1.248 -0.956 -22.320 328 H ASN 44 H ASN 44 1.036 -0.722 -13.425 329 HA ASN 44 HA ASN 44 3.740 -1.438 -12.538 330 HB2 ASN 44 1HB ASN 44 2.120 1.093 -12.239 331 HB3 ASN 44 2HB ASN 44 3.653 0.831 -11.415 332 HD21 ASN 44 2HD2 ASN 44 5.424 0.029 -12.972 333 HD22 ASN 44 1HD2 ASN 44 5.561 0.913 -14.450 334 H LEU 45 H LEU 45 4.082 -2.325 -10.604 335 HA LEU 45 HA LEU 45 1.805 -2.777 -8.852 336 HB2 LEU 45 1HB LEU 45 4.581 -3.740 -8.300 337 HB3 LEU 45 2HB LEU 45 3.041 -4.472 -7.858 338 HG LEU 45 HG LEU 45 4.227 -4.401 -10.632 339 HD11 LEU 45 1HD1 LEU 45 4.053 -6.997 -10.010 340 HD12 LEU 45 2HD1 LEU 45 4.354 -6.335 -8.404 341 HD13 LEU 45 3HD1 LEU 45 5.497 -6.028 -9.711 342 HD21 LEU 45 3HD2 LEU 45 1.974 -4.492 -11.057 343 HD22 LEU 45 1HD2 LEU 45 1.607 -5.306 -9.536 344 HD23 LEU 45 2HD2 LEU 45 2.339 -6.208 -10.864 345 H GLN 46 H GLN 46 1.349 -1.384 -7.293 346 HA GLN 46 HA GLN 46 3.569 -0.117 -5.840 347 HB2 GLN 46 1HB GLN 46 0.994 1.309 -6.496 348 HB3 GLN 46 2HB GLN 46 2.453 1.993 -5.792 349 HG2 GLN 46 1HG GLN 46 3.643 1.732 -7.854 350 HG3 GLN 46 2HG GLN 46 2.293 0.853 -8.571 351 HE21 GLN 46 2HE2 GLN 46 2.004 2.274 -10.250 352 HE22 GLN 46 1HE2 GLN 46 1.396 3.876 -10.034 353 H CYS 47 H CYS 47 3.013 0.596 -3.670 354 HA CYS 47 HA CYS 47 1.132 -1.255 -2.425 355 HB2 CYS 47 1HB CYS 47 3.519 -0.943 -1.608 356 HB3 CYS 47 2HB CYS 47 3.021 0.644 -1.030 357 H ILE 48 H ILE 48 -0.899 -0.566 -2.280 358 HA ILE 48 HA ILE 48 -1.435 2.280 -1.846 359 HB ILE 48 HB ILE 48 -3.401 0.071 -2.459 360 HG12 ILE 48 1HG1 ILE 48 -3.328 1.586 -4.699 361 HG13 ILE 48 2HG1 ILE 48 -1.653 1.732 -4.178 362 HG21 ILE 48 1HG2 ILE 48 -4.956 1.847 -2.955 363 HG22 ILE 48 2HG2 ILE 48 -4.330 2.057 -1.320 364 HG23 ILE 48 3HG2 ILE 48 -3.720 3.063 -2.634 365 HD11 ILE 48 3HD1 ILE 48 -2.949 -0.428 -5.515 366 HD12 ILE 48 1HD1 ILE 48 -1.242 -0.216 -5.131 367 HD13 ILE 48 2HD1 ILE 48 -2.318 -0.986 -3.965 368 H CYS 49 H CYS 49 -2.358 3.074 -0.032 369 HA CYS 49 HA CYS 49 -2.882 1.157 2.140 370 HB2 CYS 49 1HB CYS 49 -2.230 4.083 2.487 371 HB3 CYS 49 2HB CYS 49 -2.198 2.815 3.708 372 H ASP 50 H ASP 50 -4.867 1.045 2.972 373 HA ASP 50 HA ASP 50 -6.794 3.148 2.231 374 HB2 ASP 50 1HB ASP 50 -7.234 0.920 1.215 375 HB3 ASP 50 2HB ASP 50 -7.378 0.242 2.834 376 H TYR 51 H TYR 51 -7.495 4.352 3.855 377 HA TYR 51 HA TYR 51 -7.314 3.278 6.588 378 HB2 TYR 51 1HB TYR 51 -5.965 5.262 6.280 379 HB3 TYR 51 2HB TYR 51 -7.332 6.133 5.594 380 HD1 TYR 51 HD2 TYR 51 -6.960 4.037 8.667 381 HD2 TYR 51 HD1 TYR 51 -7.943 7.838 7.025 382 HE1 TYR 51 HE2 TYR 51 -7.567 4.844 10.910 383 HE2 TYR 51 HE1 TYR 51 -8.551 8.654 9.263 384 HH TYR 51 HH TYR 51 -8.606 6.503 12.052 385 H CYS 52 H CYS 52 -9.157 2.685 7.493 386 HA CYS 52 HA CYS 52 -11.603 4.189 6.851 387 HB2 CYS 52 1HB CYS 52 -11.395 1.890 5.704 388 HB3 CYS 52 2HB CYS 52 -11.633 1.213 7.312 389 H GLU 53 H GLU 53 -12.912 4.658 8.546 390 HA GLU 53 HA GLU 53 -12.362 3.395 11.134 391 HB2 GLU 53 1HB GLU 53 -11.069 5.460 11.126 392 HB3 GLU 53 2HB GLU 53 -12.493 6.376 10.652 393 HG2 GLU 53 1HG GLU 53 -13.501 6.117 12.742 394 HG3 GLU 53 2HG GLU 53 -12.428 4.792 13.194 395 H TYR 54 H TYR 54 -14.188 2.655 11.966 396 HA TYR 54 HA TYR 54 -16.727 3.209 10.867 397 HB2 TYR 54 1HB TYR 54 -15.930 1.139 12.194 398 HB3 TYR 54 2HB TYR 54 -16.324 2.081 13.628 399 HD1 TYR 54 HD1 TYR 54 -17.745 0.595 10.549 400 HD2 TYR 54 HD2 TYR 54 -18.567 2.334 14.345 401 HE1 TYR 54 HE1 TYR 54 -20.096 -0.100 10.351 402 HE2 TYR 54 HE2 TYR 54 -20.920 1.643 14.158 403 HH TYR 54 HH TYR 54 -22.048 -0.330 11.455 Start of MODEL 2 1 H1 ASP 2 H ASP 2 -17.079 5.816 6.251 2 HA ASP 2 HA ASP 2 -17.128 4.980 3.558 3 HB2 ASP 2 1HB ASP 2 -18.100 7.235 3.226 4 HB3 ASP 2 2HB ASP 2 -16.659 7.943 3.950 5 H CYS 3 H CYS 3 -15.026 4.819 2.635 6 HA CYS 3 HA CYS 3 -12.841 5.290 4.556 7 HB2 CYS 3 1HB CYS 3 -12.869 3.024 2.571 8 HB3 CYS 3 2HB CYS 3 -11.836 3.226 3.981 9 H LYS 4 H LYS 4 -10.638 5.133 3.370 10 HA LYS 4 HA LYS 4 -10.790 6.365 0.712 11 HB2 LYS 4 1HB LYS 4 -8.858 7.878 1.531 12 HB3 LYS 4 2HB LYS 4 -10.505 8.300 1.979 13 HG2 LYS 4 1HG LYS 4 -10.163 7.248 4.171 14 HG3 LYS 4 2HG LYS 4 -8.497 6.879 3.718 15 HD2 LYS 4 1HD LYS 4 -9.539 9.688 3.606 16 HD3 LYS 4 2HD LYS 4 -8.964 8.995 5.124 17 HE2 LYS 4 1HE LYS 4 -6.857 8.365 3.782 18 HE3 LYS 4 2HE LYS 4 -7.441 9.530 2.595 19 HZ1 LYS 4 3HZ LYS 4 -7.140 10.259 5.443 20 HZ2 LYS 4 1HZ LYS 4 -7.223 11.278 4.095 21 HZ3 LYS 4 2HZ LYS 4 -5.835 10.351 4.370 22 H ARG 5 H ARG 5 -8.764 6.277 -0.481 23 HA ARG 5 HA ARG 5 -6.746 4.435 0.531 24 HB2 ARG 5 1HB ARG 5 -6.855 3.141 -1.644 25 HB3 ARG 5 2HB ARG 5 -8.178 2.866 -0.520 26 HG2 ARG 5 1HG ARG 5 -9.718 3.837 -1.873 27 HG3 ARG 5 2HG ARG 5 -8.556 4.969 -2.569 28 HD2 ARG 5 1HD ARG 5 -7.805 3.450 -4.124 29 HD3 ARG 5 2HD ARG 5 -8.263 2.059 -3.143 30 HE ARG 5 HE ARG 5 -10.494 3.609 -4.092 31 HH11 ARG 5 1HH1 ARG 5 -8.285 1.014 -4.806 32 HH12 ARG 5 2HH1 ARG 5 -9.350 0.244 -5.936 33 HH21 ARG 5 1HH2 ARG 5 -11.904 2.605 -5.578 34 HH22 ARG 5 2HH2 ARG 5 -11.407 1.151 -6.375 35 H LYS 6 H LYS 6 -4.739 4.633 -0.465 36 HA LYS 6 HA LYS 6 -4.435 6.451 -2.710 37 HB2 LYS 6 1HB LYS 6 -4.378 8.042 -0.927 38 HB3 LYS 6 2HB LYS 6 -3.314 7.022 0.032 39 HG2 LYS 6 1HG LYS 6 -1.458 7.505 -1.285 40 HG3 LYS 6 2HG LYS 6 -2.445 8.081 -2.630 41 HD2 LYS 6 1HD LYS 6 -2.517 9.487 0.013 42 HD3 LYS 6 2HD LYS 6 -1.208 9.800 -1.129 43 HE2 LYS 6 1HE LYS 6 -2.618 10.752 -2.686 44 HE3 LYS 6 2HE LYS 6 -4.036 9.900 -2.078 45 HZ1 LYS 6 3HZ LYS 6 -4.246 11.370 -0.302 46 HZ2 LYS 6 1HZ LYS 6 -3.853 12.378 -1.603 47 HZ3 LYS 6 2HZ LYS 6 -2.671 11.966 -0.465 48 H VAL 7 H VAL 7 -2.683 5.987 -3.941 49 HA VAL 7 HA VAL 7 -1.025 3.733 -3.060 50 HB VAL 7 HB VAL 7 -2.140 3.354 -5.165 51 HG11 VAL 7 1HG1 VAL 7 -1.553 6.110 -5.603 52 HG12 VAL 7 2HG1 VAL 7 -0.878 5.162 -6.929 53 HG13 VAL 7 3HG1 VAL 7 -2.594 5.037 -6.538 54 HG21 VAL 7 3HG2 VAL 7 -0.248 2.797 -6.555 55 HG22 VAL 7 1HG2 VAL 7 0.770 3.946 -5.688 56 HG23 VAL 7 2HG2 VAL 7 0.169 2.506 -4.866 57 H TYR 8 H TYR 8 1.173 3.840 -2.952 58 HA TYR 8 HA TYR 8 2.382 6.488 -3.415 59 HB2 TYR 8 1HB TYR 8 2.204 5.137 -1.018 60 HB3 TYR 8 2HB TYR 8 3.822 4.724 -1.575 61 HD1 TYR 8 HD2 TYR 8 4.639 7.196 -2.944 62 HD2 TYR 8 HD1 TYR 8 2.525 6.663 0.710 63 HE1 TYR 8 HE2 TYR 8 5.470 9.371 -2.153 64 HE2 TYR 8 HE1 TYR 8 3.349 8.838 1.510 65 HH TYR 8 HH TYR 8 4.673 11.138 -0.454 66 H GLU 9 H GLU 9 3.087 6.076 -5.501 67 HA GLU 9 HA GLU 9 4.493 3.730 -6.256 68 HB2 GLU 9 1HB GLU 9 5.003 4.912 -8.315 69 HB3 GLU 9 2HB GLU 9 3.323 5.180 -7.872 70 HG2 GLU 9 1HG GLU 9 3.960 7.369 -6.925 71 HG3 GLU 9 2HG GLU 9 5.608 7.100 -7.491 72 H ASN 10 H ASN 10 5.418 6.620 -4.643 73 HA ASN 10 HA ASN 10 8.164 6.663 -5.327 74 HB2 ASN 10 1HB ASN 10 6.555 8.387 -4.031 75 HB3 ASN 10 2HB ASN 10 7.350 7.643 -2.647 76 HD21 ASN 10 2HD2 ASN 10 9.648 7.754 -2.516 77 HD22 ASN 10 1HD2 ASN 10 10.503 9.040 -3.291 78 H TYR 11 H TYR 11 6.327 4.624 -3.305 79 HA TYR 11 HA TYR 11 8.410 3.894 -1.484 80 HB2 TYR 11 1HB TYR 11 5.665 2.898 -2.104 81 HB3 TYR 11 2HB TYR 11 6.759 1.836 -1.223 82 HD1 TYR 11 HD2 TYR 11 6.296 5.533 -1.031 83 HD2 TYR 11 HD1 TYR 11 6.006 1.790 0.971 84 HE1 TYR 11 HE2 TYR 11 5.739 6.702 1.060 85 HE2 TYR 11 HE1 TYR 11 5.446 2.948 3.068 86 HH TYR 11 HH TYR 11 4.397 5.985 3.267 87 HA PRO 12 HA PRO 12 10.617 0.857 -3.752 88 HB2 PRO 12 1HB PRO 12 11.082 -1.045 -1.871 89 HB3 PRO 12 2HB PRO 12 11.896 0.524 -1.872 90 HG2 PRO 12 1HG PRO 12 9.536 -0.385 -0.269 91 HG3 PRO 12 2HG PRO 12 10.943 0.563 0.249 92 HD2 PRO 12 1HD PRO 12 8.549 1.696 -0.315 93 HD3 PRO 12 2HD PRO 12 10.091 2.527 -0.605 94 H VAL 13 H VAL 13 9.905 -0.526 -5.238 95 HA VAL 13 HA VAL 13 7.424 -1.882 -5.024 96 HB VAL 13 HB VAL 13 9.626 -2.457 -7.008 97 HG11 VAL 13 1HG1 VAL 13 7.347 -2.799 -8.364 98 HG12 VAL 13 2HG1 VAL 13 8.130 -4.099 -7.463 99 HG13 VAL 13 3HG1 VAL 13 6.779 -3.217 -6.748 100 HG21 VAL 13 3HG2 VAL 13 9.369 -0.240 -7.447 101 HG22 VAL 13 1HG2 VAL 13 8.003 -0.852 -8.380 102 HG23 VAL 13 2HG2 VAL 13 7.741 -0.181 -6.770 103 H SER 14 H SER 14 10.668 -2.725 -4.191 104 HA SER 14 HA SER 14 10.494 -5.528 -4.309 105 HB2 SER 14 1HB SER 14 12.237 -3.577 -2.865 106 HB3 SER 14 2HB SER 14 12.282 -5.269 -2.369 107 HG SER 14 HG SER 14 13.805 -5.002 -3.960 108 H LYS 15 H LYS 15 9.382 -3.211 -1.955 109 HA LYS 15 HA LYS 15 8.970 -5.024 0.188 110 HB2 LYS 15 1HB LYS 15 8.258 -2.232 -0.438 111 HB3 LYS 15 2HB LYS 15 7.147 -3.054 0.650 112 HG2 LYS 15 1HG LYS 15 8.900 -1.818 1.841 113 HG3 LYS 15 2HG LYS 15 8.944 -3.550 2.181 114 HD2 LYS 15 1HD LYS 15 10.898 -3.867 1.007 115 HD3 LYS 15 2HD LYS 15 10.627 -2.466 -0.031 116 HE2 LYS 15 1HE LYS 15 12.348 -1.752 1.346 117 HE3 LYS 15 2HE LYS 15 10.919 -1.099 2.146 118 HZ1 LYS 15 3HZ LYS 15 12.829 -2.623 3.323 119 HZ2 LYS 15 1HZ LYS 15 11.595 -3.743 3.031 120 HZ3 LYS 15 2HZ LYS 15 11.276 -2.351 3.936 121 H CYS 16 H CYS 16 7.104 -4.135 -2.619 122 HA CYS 16 HA CYS 16 4.555 -4.916 -1.887 123 HB2 CYS 16 1HB CYS 16 4.995 -3.839 -4.016 124 HB3 CYS 16 2HB CYS 16 5.939 -5.224 -4.558 125 H GLN 17 H GLN 17 7.338 -6.873 -2.645 126 HA GLN 17 HA GLN 17 6.106 -9.319 -3.176 127 HB2 GLN 17 1HB GLN 17 8.713 -8.926 -1.702 128 HB3 GLN 17 2HB GLN 17 8.217 -10.348 -2.611 129 HG2 GLN 17 1HG GLN 17 8.744 -7.619 -3.766 130 HG3 GLN 17 2HG GLN 17 9.832 -9.003 -3.841 131 HE21 GLN 17 2HE2 GLN 17 8.454 -11.060 -4.600 132 HE22 GLN 17 1HE2 GLN 17 7.624 -10.801 -6.092 133 H LEU 18 H LEU 18 6.458 -7.579 -0.218 134 HA LEU 18 HA LEU 18 5.569 -9.924 1.319 135 HB2 LEU 18 1HB LEU 18 6.726 -7.328 2.323 136 HB3 LEU 18 2HB LEU 18 6.315 -8.735 3.302 137 HG LEU 18 HG LEU 18 8.399 -8.841 1.137 138 HD11 LEU 18 1HD1 LEU 18 9.343 -7.222 2.487 139 HD12 LEU 18 2HD1 LEU 18 9.970 -8.710 3.196 140 HD13 LEU 18 3HD1 LEU 18 8.616 -7.873 3.956 141 HD21 LEU 18 3HD2 LEU 18 7.172 -10.809 2.622 142 HD22 LEU 18 1HD2 LEU 18 8.675 -10.517 3.497 143 HD23 LEU 18 2HD2 LEU 18 8.720 -10.950 1.788 144 H ALA 19 H ALA 19 3.642 -9.929 2.346 145 HA ALA 19 HA ALA 19 1.816 -7.739 1.753 146 HB1 ALA 19 3HB ALA 19 0.283 -9.525 3.064 147 HB2 ALA 19 1HB ALA 19 0.606 -9.593 1.331 148 HB3 ALA 19 2HB ALA 19 1.544 -10.590 2.444 149 H ASN 20 H ASN 20 3.488 -9.167 4.457 150 HA ASN 20 HA ASN 20 1.925 -7.787 6.448 151 HB2 ASN 20 1HB ASN 20 4.428 -9.463 6.558 152 HB3 ASN 20 2HB ASN 20 3.802 -8.630 7.978 153 HD21 ASN 20 2HD2 ASN 20 3.705 -10.863 8.782 154 HD22 ASN 20 1HD2 ASN 20 2.285 -11.791 8.453 155 H GLN 21 H GLN 21 4.597 -7.057 4.457 156 HA GLN 21 HA GLN 21 5.737 -5.060 6.203 157 HB2 GLN 21 1HB GLN 21 7.159 -6.316 4.642 158 HB3 GLN 21 2HB GLN 21 6.265 -5.645 3.285 159 HG2 GLN 21 1HG GLN 21 8.508 -4.594 3.857 160 HG3 GLN 21 2HG GLN 21 7.140 -3.512 3.604 161 HE21 GLN 21 2HE2 GLN 21 7.478 -1.837 4.892 162 HE22 GLN 21 1HE2 GLN 21 7.833 -1.919 6.580 163 H CYS 22 H CYS 22 3.690 -5.136 3.326 164 HA CYS 22 HA CYS 22 3.604 -2.370 2.848 165 HB2 CYS 22 1HB CYS 22 2.249 -4.736 1.888 166 HB3 CYS 22 2HB CYS 22 1.110 -3.408 2.085 167 H ASN 23 H ASN 23 1.095 -4.396 4.381 168 HA ASN 23 HA ASN 23 -0.499 -2.306 5.297 169 HB2 ASN 23 1HB ASN 23 -1.738 -3.915 6.353 170 HB3 ASN 23 2HB ASN 23 -0.795 -4.959 5.294 171 HD21 ASN 23 2HD2 ASN 23 1.345 -5.661 6.267 172 HD22 ASN 23 1HD2 ASN 23 1.303 -6.161 7.921 173 H TYR 24 H TYR 24 2.417 -3.681 6.624 174 HA TYR 24 HA TYR 24 2.177 -2.597 9.236 175 HB2 TYR 24 1HB TYR 24 3.684 -4.423 8.912 176 HB3 TYR 24 2HB TYR 24 4.554 -3.564 7.646 177 HD1 TYR 24 HD1 TYR 24 3.745 -3.367 11.279 178 HD2 TYR 24 HD2 TYR 24 6.479 -2.369 8.176 179 HE1 TYR 24 HE1 TYR 24 5.328 -2.514 12.957 180 HE2 TYR 24 HE2 TYR 24 8.071 -1.515 9.845 181 HH TYR 24 HH TYR 24 8.008 -2.213 12.973 182 H ASP 25 H ASP 25 3.776 -1.482 6.279 183 HA ASP 25 HA ASP 25 4.788 0.908 7.505 184 HB2 ASP 25 1HB ASP 25 5.630 -0.421 5.382 185 HB3 ASP 25 2HB ASP 25 4.504 0.640 4.541 186 H CYS 26 H CYS 26 1.895 -0.021 5.823 187 HA CYS 26 HA CYS 26 1.037 2.667 5.262 188 HB2 CYS 26 1HB CYS 26 -0.290 -0.032 5.080 189 HB3 CYS 26 2HB CYS 26 -1.183 1.459 4.793 190 H LYS 27 H LYS 27 0.003 0.128 7.535 191 HA LYS 27 HA LYS 27 -1.866 1.773 8.896 192 HB2 LYS 27 1HB LYS 27 -0.479 -0.749 9.824 193 HB3 LYS 27 2HB LYS 27 -1.880 -0.016 10.593 194 HG2 LYS 27 1HG LYS 27 -3.312 -0.668 8.924 195 HG3 LYS 27 2HG LYS 27 -2.033 -0.753 7.711 196 HD2 LYS 27 1HD LYS 27 -2.498 -2.989 8.107 197 HD3 LYS 27 2HD LYS 27 -1.123 -2.695 9.173 198 HE2 LYS 27 1HE LYS 27 -3.905 -2.325 10.198 199 HE3 LYS 27 2HE LYS 27 -3.233 -3.949 10.062 200 HZ1 LYS 27 3HZ LYS 27 -2.670 -1.905 11.984 201 HZ2 LYS 27 1HZ LYS 27 -1.261 -2.521 11.280 202 HZ3 LYS 27 2HZ LYS 27 -2.346 -3.564 12.050 203 H LEU 28 H LEU 28 1.501 1.708 8.916 204 HA LEU 28 HA LEU 28 1.885 2.506 11.654 205 HB2 LEU 28 1HB LEU 28 3.675 1.334 10.654 206 HB3 LEU 28 2HB LEU 28 3.678 2.393 9.246 207 HG LEU 28 HG LEU 28 4.496 4.234 10.710 208 HD11 LEU 28 1HD1 LEU 28 3.712 3.491 12.850 209 HD12 LEU 28 2HD1 LEU 28 5.472 3.575 12.896 210 HD13 LEU 28 3HD1 LEU 28 4.668 2.014 12.740 211 HD21 LEU 28 3HD2 LEU 28 5.941 2.597 9.351 212 HD22 LEU 28 1HD2 LEU 28 6.351 1.888 10.913 213 HD23 LEU 28 2HD2 LEU 28 6.729 3.579 10.587 214 H ASP 29 H ASP 29 2.512 4.180 8.563 215 HA ASP 29 HA ASP 29 2.288 6.744 9.941 216 HB2 ASP 29 1HB ASP 29 3.460 5.820 7.364 217 HB3 ASP 29 2HB ASP 29 2.882 7.482 7.446 218 H LYS 30 H LYS 30 0.931 5.128 7.073 219 HA LYS 30 HA LYS 30 -1.029 7.136 6.601 220 HB2 LYS 30 1HB LYS 30 -0.270 4.555 5.446 221 HB3 LYS 30 2HB LYS 30 -2.002 4.857 5.393 222 HG2 LYS 30 1HG LYS 30 -0.167 7.017 4.501 223 HG3 LYS 30 2HG LYS 30 -0.409 5.622 3.446 224 HD2 LYS 30 1HD LYS 30 -2.106 6.960 2.704 225 HD3 LYS 30 2HD LYS 30 -2.952 6.103 3.994 226 HE2 LYS 30 1HE LYS 30 -2.956 7.930 5.387 227 HE3 LYS 30 2HE LYS 30 -1.518 8.631 4.648 228 HZ1 LYS 30 3HZ LYS 30 -3.014 9.994 3.708 229 HZ2 LYS 30 1HZ LYS 30 -4.305 8.920 3.909 230 HZ3 LYS 30 2HZ LYS 30 -3.237 8.725 2.613 231 H HIS 31 H HIS 31 -0.781 4.766 8.953 232 HA HIS 31 HA HIS 31 -2.222 3.839 10.456 233 HB2 HIS 31 1HB HIS 31 -2.579 6.454 10.602 234 HB3 HIS 31 2HB HIS 31 -4.174 6.051 9.972 235 HD1 HIS 31 HD1 HIS 31 -3.393 7.131 12.916 236 HD2 HIS 31 HD2 HIS 31 -4.483 3.266 11.850 237 HE1 HIS 31 HE1 HIS 31 -4.271 6.075 15.022 238 H ALA 32 H ALA 32 -2.589 3.239 7.558 239 HA ALA 32 HA ALA 32 -5.307 2.999 6.910 240 HB1 ALA 32 3HB ALA 32 -3.386 2.748 5.330 241 HB2 ALA 32 1HB ALA 32 -3.108 1.145 6.012 242 HB3 ALA 32 2HB ALA 32 -4.624 1.501 5.182 243 H ARG 33 H ARG 33 -5.719 0.331 6.277 244 HA ARG 33 HA ARG 33 -5.689 -1.042 8.875 245 HB2 ARG 33 1HB ARG 33 -8.081 -1.048 7.038 246 HB3 ARG 33 2HB ARG 33 -7.981 -1.677 8.677 247 HG2 ARG 33 1HG ARG 33 -7.369 0.863 9.185 248 HG3 ARG 33 2HG ARG 33 -8.331 1.100 7.725 249 HD2 ARG 33 1HD ARG 33 -9.921 1.220 9.406 250 HD3 ARG 33 2HD ARG 33 -10.037 -0.460 8.883 251 HE ARG 33 HE ARG 33 -9.293 -1.115 10.945 252 HH11 ARG 33 1HH1 ARG 33 -8.618 2.273 10.514 253 HH12 ARG 33 2HH1 ARG 33 -8.105 2.513 12.151 254 HH21 ARG 33 1HH2 ARG 33 -8.619 -0.812 13.103 255 HH22 ARG 33 2HH2 ARG 33 -8.105 0.757 13.623 256 H SER 34 H SER 34 -6.177 -1.327 5.379 257 HA SER 34 HA SER 34 -5.106 -4.068 5.541 258 HB2 SER 34 1HB SER 34 -7.415 -2.988 3.961 259 HB3 SER 34 2HB SER 34 -6.496 -4.357 3.338 260 HG SER 34 HG SER 34 -8.226 -4.210 5.490 261 H GLY 35 H GLY 35 -3.517 -1.764 5.223 262 HA2 GLY 35 1HA GLY 35 -2.917 -0.938 2.665 263 HA3 GLY 35 2HA GLY 35 -1.724 -1.102 3.946 264 H GLU 36 H GLU 36 -2.448 -2.021 0.881 265 HA GLU 36 HA GLU 36 -0.480 -4.152 0.959 266 HB2 GLU 36 1HB GLU 36 -2.959 -5.030 1.243 267 HB3 GLU 36 2HB GLU 36 -3.004 -4.798 -0.499 268 HG2 GLU 36 1HG GLU 36 -1.243 -6.347 -0.840 269 HG3 GLU 36 2HG GLU 36 -0.889 -6.421 0.885 270 H CYS 37 H CYS 37 0.058 -4.906 -1.292 271 HA CYS 37 HA CYS 37 -0.022 -2.595 -3.102 272 HB2 CYS 37 1HB CYS 37 2.001 -3.393 -4.071 273 HB3 CYS 37 2HB CYS 37 2.200 -3.528 -2.326 274 H PHE 38 H PHE 38 -0.405 -2.893 -5.341 275 HA PHE 38 HA PHE 38 -1.208 -5.423 -6.400 276 HB2 PHE 38 1HB PHE 38 -3.250 -3.550 -5.354 277 HB3 PHE 38 2HB PHE 38 -3.574 -4.238 -6.942 278 HD1 PHE 38 HD1 PHE 38 -2.879 -6.908 -6.947 279 HD2 PHE 38 HD2 PHE 38 -4.307 -4.633 -3.645 280 HE1 PHE 38 HE1 PHE 38 -3.702 -8.970 -5.886 281 HE2 PHE 38 HE2 PHE 38 -5.131 -6.691 -2.579 282 HZ PHE 38 HZ PHE 38 -4.829 -8.863 -3.698 283 H TYR 39 H TYR 39 -1.921 -5.252 -8.665 284 HA TYR 39 HA TYR 39 -0.297 -3.437 -10.104 285 HB2 TYR 39 1HB TYR 39 -1.299 -4.413 -12.103 286 HB3 TYR 39 2HB TYR 39 -0.886 -5.676 -10.949 287 HD1 TYR 39 HD2 TYR 39 -3.642 -3.834 -12.532 288 HD2 TYR 39 HD1 TYR 39 -2.599 -6.999 -9.887 289 HE1 TYR 39 HE2 TYR 39 -5.952 -4.674 -12.636 290 HE2 TYR 39 HE1 TYR 39 -4.905 -7.849 -9.984 291 HH TYR 39 HH TYR 39 -7.333 -6.337 -12.077 292 H ASP 40 H ASP 40 -0.779 -1.603 -11.235 293 HA ASP 40 HA ASP 40 -3.380 -0.378 -10.632 294 HB2 ASP 40 1HB ASP 40 -2.186 1.758 -11.328 295 HB3 ASP 40 2HB ASP 40 -1.618 1.000 -9.843 296 H GLU 41 H GLU 41 -3.745 1.468 -12.478 297 HA GLU 41 HA GLU 41 -4.630 0.032 -14.736 298 HB2 GLU 41 1HB GLU 41 -5.367 2.135 -15.606 299 HB3 GLU 41 2HB GLU 41 -5.629 2.161 -13.867 300 HG2 GLU 41 1HG GLU 41 -3.484 3.414 -13.640 301 HG3 GLU 41 2HG GLU 41 -3.427 3.518 -15.398 302 H LYS 42 H LYS 42 -1.619 1.480 -13.972 303 HA LYS 42 HA LYS 42 -0.763 1.557 -16.764 304 HB2 LYS 42 1HB LYS 42 0.418 2.547 -14.186 305 HB3 LYS 42 2HB LYS 42 1.419 2.383 -15.623 306 HG2 LYS 42 1HG LYS 42 0.038 3.941 -16.825 307 HG3 LYS 42 2HG LYS 42 -1.104 4.021 -15.482 308 HD2 LYS 42 1HD LYS 42 0.113 5.894 -15.030 309 HD3 LYS 42 2HD LYS 42 1.093 4.712 -14.158 310 HE2 LYS 42 1HE LYS 42 1.667 5.292 -17.033 311 HE3 LYS 42 2HE LYS 42 2.223 6.409 -15.788 312 HZ1 LYS 42 3HZ LYS 42 3.008 3.605 -16.239 313 HZ2 LYS 42 1HZ LYS 42 3.174 4.297 -14.704 314 HZ3 LYS 42 2HZ LYS 42 3.990 4.966 -16.026 315 H ARG 43 H ARG 43 -1.320 -0.941 -15.178 316 HA ARG 43 HA ARG 43 -0.433 -3.014 -14.844 317 HB2 ARG 43 1HB ARG 43 1.183 -2.023 -17.187 318 HB3 ARG 43 2HB ARG 43 1.344 -3.658 -16.560 319 HG2 ARG 43 1HG ARG 43 -0.171 -3.985 -18.238 320 HG3 ARG 43 2HG ARG 43 -1.252 -3.711 -16.871 321 HD2 ARG 43 1HD ARG 43 -1.966 -2.449 -18.838 322 HD3 ARG 43 2HD ARG 43 -1.499 -1.375 -17.520 323 HE ARG 43 HE ARG 43 0.198 -0.570 -18.826 324 HH11 ARG 43 1HH1 ARG 43 -0.971 -3.553 -20.188 325 HH12 ARG 43 2HH1 ARG 43 -0.032 -3.412 -21.637 326 HH21 ARG 43 1HH2 ARG 43 1.440 -0.373 -20.729 327 HH22 ARG 43 2HH2 ARG 43 1.340 -1.603 -21.944 328 H ASN 44 H ASN 44 0.692 -0.799 -13.293 329 HA ASN 44 HA ASN 44 3.419 -1.808 -12.836 330 HB2 ASN 44 1HB ASN 44 2.178 0.883 -12.602 331 HB3 ASN 44 2HB ASN 44 3.408 0.466 -11.414 332 HD21 ASN 44 2HD2 ASN 44 4.628 2.195 -12.372 333 HD22 ASN 44 1HD2 ASN 44 5.541 1.905 -13.810 334 H LEU 45 H LEU 45 4.123 -2.177 -10.691 335 HA LEU 45 HA LEU 45 1.932 -2.878 -8.872 336 HB2 LEU 45 1HB LEU 45 4.779 -3.692 -8.468 337 HB3 LEU 45 2HB LEU 45 3.304 -4.496 -7.935 338 HG LEU 45 HG LEU 45 4.214 -4.365 -10.807 339 HD11 LEU 45 1HD1 LEU 45 4.887 -6.224 -8.602 340 HD12 LEU 45 2HD1 LEU 45 5.830 -5.744 -10.013 341 HD13 LEU 45 3HD1 LEU 45 4.534 -6.929 -10.180 342 HD21 LEU 45 3HD2 LEU 45 2.561 -6.551 -10.397 343 HD22 LEU 45 1HD2 LEU 45 2.128 -5.038 -11.193 344 HD23 LEU 45 2HD2 LEU 45 1.801 -5.254 -9.473 345 H GLN 46 H GLN 46 1.529 -1.609 -7.196 346 HA GLN 46 HA GLN 46 3.746 -0.213 -5.887 347 HB2 GLN 46 1HB GLN 46 1.139 1.164 -6.533 348 HB3 GLN 46 2HB GLN 46 2.579 1.881 -5.822 349 HG2 GLN 46 1HG GLN 46 2.383 0.774 -8.614 350 HG3 GLN 46 2HG GLN 46 2.293 2.480 -8.179 351 HE21 GLN 46 2HE2 GLN 46 4.129 2.048 -9.922 352 HE22 GLN 46 1HE2 GLN 46 5.717 1.981 -9.246 353 H CYS 47 H CYS 47 3.164 0.607 -3.727 354 HA CYS 47 HA CYS 47 1.380 -1.288 -2.399 355 HB2 CYS 47 1HB CYS 47 3.760 -0.891 -1.622 356 HB3 CYS 47 2HB CYS 47 3.238 0.708 -1.101 357 H ILE 48 H ILE 48 -0.669 -0.668 -2.212 358 HA ILE 48 HA ILE 48 -1.283 2.172 -1.826 359 HB ILE 48 HB ILE 48 -3.183 -0.091 -2.446 360 HG12 ILE 48 1HG1 ILE 48 -3.139 1.467 -4.674 361 HG13 ILE 48 2HG1 ILE 48 -1.463 1.600 -4.151 362 HG21 ILE 48 1HG2 ILE 48 -4.241 1.796 -1.324 363 HG22 ILE 48 2HG2 ILE 48 -3.562 2.900 -2.519 364 HG23 ILE 48 3HG2 ILE 48 -4.756 1.698 -3.007 365 HD11 ILE 48 3HD1 ILE 48 -2.101 -1.114 -3.967 366 HD12 ILE 48 1HD1 ILE 48 -2.787 -0.555 -5.492 367 HD13 ILE 48 2HD1 ILE 48 -1.070 -0.325 -5.160 368 H CYS 49 H CYS 49 -2.489 2.917 -0.102 369 HA CYS 49 HA CYS 49 -2.872 1.002 2.107 370 HB2 CYS 49 1HB CYS 49 -2.357 3.955 2.450 371 HB3 CYS 49 2HB CYS 49 -2.282 2.692 3.674 372 H ASP 50 H ASP 50 -4.858 0.823 2.928 373 HA ASP 50 HA ASP 50 -6.898 2.734 2.013 374 HB2 ASP 50 1HB ASP 50 -6.877 -0.001 1.803 375 HB3 ASP 50 2HB ASP 50 -7.830 0.245 3.265 376 H TYR 51 H TYR 51 -7.266 4.258 3.486 377 HA TYR 51 HA TYR 51 -7.187 3.545 6.331 378 HB2 TYR 51 1HB TYR 51 -5.774 5.408 5.828 379 HB3 TYR 51 2HB TYR 51 -7.044 6.204 4.906 380 HD1 TYR 51 HD2 TYR 51 -7.272 4.603 8.258 381 HD2 TYR 51 HD1 TYR 51 -7.356 8.228 6.032 382 HE1 TYR 51 HE2 TYR 51 -7.969 5.820 10.278 383 HE2 TYR 51 HE1 TYR 51 -8.052 9.456 8.047 384 HH TYR 51 HH TYR 51 -9.225 8.915 10.219 385 H CYS 52 H CYS 52 -8.998 3.372 7.470 386 HA CYS 52 HA CYS 52 -11.399 4.803 6.599 387 HB2 CYS 52 1HB CYS 52 -11.322 2.374 5.738 388 HB3 CYS 52 2HB CYS 52 -11.572 1.912 7.419 389 H GLU 53 H GLU 53 -12.872 5.272 8.244 390 HA GLU 53 HA GLU 53 -11.772 4.971 10.951 391 HB2 GLU 53 1HB GLU 53 -13.782 6.939 9.845 392 HB3 GLU 53 2HB GLU 53 -13.298 6.856 11.533 393 HG2 GLU 53 1HG GLU 53 -11.167 7.650 11.098 394 HG3 GLU 53 2HG GLU 53 -11.249 7.223 9.390 395 H TYR 54 H TYR 54 -12.574 3.183 11.870 396 HA TYR 54 HA TYR 54 -15.085 2.042 11.288 397 HB2 TYR 54 1HB TYR 54 -14.672 0.615 13.250 398 HB3 TYR 54 2HB TYR 54 -13.247 0.729 12.223 399 HD1 TYR 54 HD1 TYR 54 -14.729 1.757 15.430 400 HD2 TYR 54 HD2 TYR 54 -11.230 1.768 13.010 401 HE1 TYR 54 HE1 TYR 54 -13.397 2.468 17.371 402 HE2 TYR 54 HE2 TYR 54 -9.887 2.478 14.945 403 HH TYR 54 HH TYR 54 -10.895 3.864 17.473 Start of MODEL 3 1 H1 ASP 2 H ASP 2 -18.036 4.376 4.974 2 HA ASP 2 HA ASP 2 -16.717 5.582 2.731 3 HB2 ASP 2 1HB ASP 2 -18.455 6.728 4.135 4 HB3 ASP 2 2HB ASP 2 -17.272 6.805 5.438 5 H CYS 3 H CYS 3 -14.633 5.053 2.433 6 HA CYS 3 HA CYS 3 -12.769 5.651 4.618 7 HB2 CYS 3 1HB CYS 3 -12.382 3.254 2.832 8 HB3 CYS 3 2HB CYS 3 -11.526 3.655 4.317 9 H LYS 4 H LYS 4 -10.433 5.609 3.704 10 HA LYS 4 HA LYS 4 -10.450 6.884 1.046 11 HB2 LYS 4 1HB LYS 4 -8.409 8.155 1.962 12 HB3 LYS 4 2HB LYS 4 -10.004 8.655 2.511 13 HG2 LYS 4 1HG LYS 4 -9.706 7.493 4.596 14 HG3 LYS 4 2HG LYS 4 -8.169 6.824 4.043 15 HD2 LYS 4 1HD LYS 4 -7.802 8.719 5.530 16 HD3 LYS 4 2HD LYS 4 -7.243 9.091 3.898 17 HE2 LYS 4 1HE LYS 4 -9.176 10.418 3.461 18 HE3 LYS 4 2HE LYS 4 -9.953 9.880 4.950 19 HZ1 LYS 4 3HZ LYS 4 -9.143 11.832 5.693 20 HZ2 LYS 4 1HZ LYS 4 -7.892 11.895 4.555 21 HZ3 LYS 4 2HZ LYS 4 -7.732 10.929 5.935 22 H ARG 5 H ARG 5 -8.658 6.522 -0.300 23 HA ARG 5 HA ARG 5 -6.644 4.606 0.576 24 HB2 ARG 5 1HB ARG 5 -7.024 3.210 -1.466 25 HB3 ARG 5 2HB ARG 5 -8.321 3.126 -0.281 26 HG2 ARG 5 1HG ARG 5 -9.486 3.310 -2.251 27 HG3 ARG 5 2HG ARG 5 -9.405 4.993 -1.726 28 HD2 ARG 5 1HD ARG 5 -8.151 5.592 -3.481 29 HD3 ARG 5 2HD ARG 5 -7.114 4.173 -3.334 30 HE ARG 5 HE ARG 5 -9.609 3.397 -4.374 31 HH11 ARG 5 1HH1 ARG 5 -6.752 5.173 -5.270 32 HH12 ARG 5 2HH1 ARG 5 -6.912 4.830 -6.962 33 HH21 ARG 5 1HH2 ARG 5 -9.830 2.940 -6.597 34 HH22 ARG 5 2HH2 ARG 5 -8.663 3.561 -7.715 35 H LYS 6 H LYS 6 -4.724 4.724 -0.556 36 HA LYS 6 HA LYS 6 -4.504 6.267 -2.976 37 HB2 LYS 6 1HB LYS 6 -4.568 8.043 -1.266 38 HB3 LYS 6 2HB LYS 6 -3.205 7.293 -0.445 39 HG2 LYS 6 1HG LYS 6 -1.700 7.946 -2.055 40 HG3 LYS 6 2HG LYS 6 -2.936 8.079 -3.308 41 HD2 LYS 6 1HD LYS 6 -3.702 10.135 -2.492 42 HD3 LYS 6 2HD LYS 6 -2.922 9.905 -0.926 43 HE2 LYS 6 1HE LYS 6 -1.361 10.156 -3.483 44 HE3 LYS 6 2HE LYS 6 -1.841 11.561 -2.532 45 HZ1 LYS 6 3HZ LYS 6 -0.687 10.501 -0.615 46 HZ2 LYS 6 1HZ LYS 6 0.342 10.953 -1.879 47 HZ3 LYS 6 2HZ LYS 6 -0.085 9.330 -1.676 48 H VAL 7 H VAL 7 -2.443 6.090 -3.968 49 HA VAL 7 HA VAL 7 -0.878 3.824 -2.946 50 HB VAL 7 HB VAL 7 -1.736 3.483 -5.183 51 HG11 VAL 7 1HG1 VAL 7 -2.069 5.731 -5.925 52 HG12 VAL 7 2HG1 VAL 7 -0.341 6.074 -5.835 53 HG13 VAL 7 3HG1 VAL 7 -0.957 4.950 -7.047 54 HG21 VAL 7 3HG2 VAL 7 0.381 3.070 -6.379 55 HG22 VAL 7 1HG2 VAL 7 1.228 4.042 -5.175 56 HG23 VAL 7 2HG2 VAL 7 0.442 2.537 -4.699 57 H TYR 8 H TYR 8 1.290 3.965 -2.574 58 HA TYR 8 HA TYR 8 2.473 6.656 -2.779 59 HB2 TYR 8 1HB TYR 8 2.159 5.028 -0.530 60 HB3 TYR 8 2HB TYR 8 3.858 4.872 -0.956 61 HD1 TYR 8 HD2 TYR 8 4.731 7.416 -1.826 62 HD2 TYR 8 HD1 TYR 8 1.870 6.526 1.195 63 HE1 TYR 8 HE2 TYR 8 5.203 9.577 -0.750 64 HE2 TYR 8 HE1 TYR 8 2.334 8.684 2.278 65 HH TYR 8 HH TYR 8 4.255 10.326 2.363 66 H GLU 9 H GLU 9 3.361 6.406 -4.825 67 HA GLU 9 HA GLU 9 4.914 4.158 -5.599 68 HB2 GLU 9 1HB GLU 9 5.553 5.494 -7.530 69 HB3 GLU 9 2HB GLU 9 3.829 5.653 -7.226 70 HG2 GLU 9 1HG GLU 9 4.336 7.794 -6.026 71 HG3 GLU 9 2HG GLU 9 5.990 7.650 -6.617 72 H ASN 10 H ASN 10 5.555 6.755 -3.541 73 HA ASN 10 HA ASN 10 8.305 7.174 -4.035 74 HB2 ASN 10 1HB ASN 10 6.687 8.607 -2.641 75 HB3 ASN 10 2HB ASN 10 7.005 7.471 -1.333 76 HD21 ASN 10 2HD2 ASN 10 8.780 7.727 -0.139 77 HD22 ASN 10 1HD2 ASN 10 10.035 8.870 -0.458 78 H TYR 11 H TYR 11 6.597 4.605 -2.561 79 HA TYR 11 HA TYR 11 8.871 3.666 -1.017 80 HB2 TYR 11 1HB TYR 11 6.018 3.135 -1.091 81 HB3 TYR 11 2HB TYR 11 6.948 1.640 -1.076 82 HD1 TYR 11 HD2 TYR 11 7.732 4.892 0.557 83 HD2 TYR 11 HD1 TYR 11 6.656 0.810 1.086 84 HE1 TYR 11 HE2 TYR 11 8.061 5.125 2.984 85 HE2 TYR 11 HE1 TYR 11 6.980 1.032 3.514 86 HH TYR 11 HH TYR 11 8.422 3.854 4.924 87 HA PRO 12 HA PRO 12 10.580 0.975 -4.033 88 HB2 PRO 12 1HB PRO 12 11.432 -1.086 -2.485 89 HB3 PRO 12 2HB PRO 12 12.223 0.494 -2.500 90 HG2 PRO 12 1HG PRO 12 10.253 -0.617 -0.540 91 HG3 PRO 12 2HG PRO 12 11.734 0.309 -0.235 92 HD2 PRO 12 1HD PRO 12 9.272 1.436 -0.176 93 HD3 PRO 12 2HD PRO 12 10.717 2.325 -0.697 94 H VAL 13 H VAL 13 9.881 -0.562 -5.408 95 HA VAL 13 HA VAL 13 7.358 -1.797 -5.006 96 HB VAL 13 HB VAL 13 8.299 -1.149 -7.237 97 HG11 VAL 13 1HG1 VAL 13 10.567 -2.103 -6.796 98 HG12 VAL 13 2HG1 VAL 13 9.871 -3.710 -7.009 99 HG13 VAL 13 3HG1 VAL 13 9.871 -2.563 -8.349 100 HG21 VAL 13 3HG2 VAL 13 6.407 -2.838 -6.775 101 HG22 VAL 13 1HG2 VAL 13 7.121 -2.795 -8.388 102 HG23 VAL 13 2HG2 VAL 13 7.586 -4.061 -7.250 103 H SER 14 H SER 14 10.653 -2.824 -4.525 104 HA SER 14 HA SER 14 10.383 -5.583 -4.526 105 HB2 SER 14 1HB SER 14 12.101 -4.121 -2.525 106 HB3 SER 14 2HB SER 14 12.410 -5.670 -3.307 107 HG SER 14 HG SER 14 12.907 -3.122 -4.193 108 H LYS 15 H LYS 15 9.341 -3.242 -2.175 109 HA LYS 15 HA LYS 15 8.965 -5.030 -0.002 110 HB2 LYS 15 1HB LYS 15 8.283 -2.237 -0.637 111 HB3 LYS 15 2HB LYS 15 7.163 -3.032 0.462 112 HG2 LYS 15 1HG LYS 15 8.949 -1.816 1.632 113 HG3 LYS 15 2HG LYS 15 8.953 -3.545 1.991 114 HD2 LYS 15 1HD LYS 15 10.952 -3.879 0.988 115 HD3 LYS 15 2HD LYS 15 10.627 -2.702 -0.288 116 HE2 LYS 15 1HE LYS 15 12.304 -1.647 0.880 117 HE3 LYS 15 2HE LYS 15 10.872 -0.970 1.652 118 HZ1 LYS 15 3HZ LYS 15 12.349 -3.317 2.704 119 HZ2 LYS 15 1HZ LYS 15 11.119 -2.449 3.476 120 HZ3 LYS 15 2HZ LYS 15 12.627 -1.729 3.216 121 H CYS 16 H CYS 16 7.048 -4.151 -2.776 122 HA CYS 16 HA CYS 16 4.508 -4.903 -1.985 123 HB2 CYS 16 1HB CYS 16 4.919 -3.853 -4.135 124 HB3 CYS 16 2HB CYS 16 5.832 -5.255 -4.681 125 H GLN 17 H GLN 17 7.257 -6.893 -2.789 126 HA GLN 17 HA GLN 17 5.993 -9.333 -3.265 127 HB2 GLN 17 1HB GLN 17 8.638 -8.931 -1.862 128 HB3 GLN 17 2HB GLN 17 8.109 -10.376 -2.712 129 HG2 GLN 17 1HG GLN 17 8.004 -8.996 -4.799 130 HG3 GLN 17 2HG GLN 17 8.775 -7.695 -3.893 131 HE21 GLN 17 2HE2 GLN 17 10.927 -7.784 -3.478 132 HE22 GLN 17 1HE2 GLN 17 11.973 -9.018 -4.085 133 H LEU 18 H LEU 18 6.412 -7.564 -0.336 134 HA LEU 18 HA LEU 18 5.539 -9.887 1.245 135 HB2 LEU 18 1HB LEU 18 6.739 -7.290 2.193 136 HB3 LEU 18 2HB LEU 18 6.331 -8.677 3.200 137 HG LEU 18 HG LEU 18 8.374 -8.836 0.999 138 HD11 LEU 18 1HD1 LEU 18 9.360 -7.211 2.310 139 HD12 LEU 18 2HD1 LEU 18 9.982 -8.697 3.028 140 HD13 LEU 18 3HD1 LEU 18 8.652 -7.835 3.801 141 HD21 LEU 18 3HD2 LEU 18 8.479 -10.971 1.587 142 HD22 LEU 18 1HD2 LEU 18 7.174 -10.713 2.744 143 HD23 LEU 18 2HD2 LEU 18 8.852 -10.512 3.248 144 H ALA 19 H ALA 19 3.622 -9.875 2.280 145 HA ALA 19 HA ALA 19 1.801 -7.684 1.702 146 HB1 ALA 19 3HB ALA 19 1.531 -10.517 2.470 147 HB2 ALA 19 1HB ALA 19 0.285 -9.428 3.080 148 HB3 ALA 19 2HB ALA 19 0.581 -9.548 1.345 149 H ASN 20 H ASN 20 3.415 -9.164 4.442 150 HA ASN 20 HA ASN 20 1.937 -7.713 6.422 151 HB2 ASN 20 1HB ASN 20 4.558 -9.213 6.618 152 HB3 ASN 20 2HB ASN 20 3.650 -8.583 7.990 153 HD21 ASN 20 2HD2 ASN 20 4.158 -11.211 5.998 154 HD22 ASN 20 1HD2 ASN 20 2.779 -12.151 6.445 155 H GLN 21 H GLN 21 4.625 -7.038 4.403 156 HA GLN 21 HA GLN 21 5.774 -5.001 6.080 157 HB2 GLN 21 1HB GLN 21 7.170 -6.250 4.503 158 HB3 GLN 21 2HB GLN 21 6.220 -5.634 3.157 159 HG2 GLN 21 1HG GLN 21 8.474 -4.534 3.664 160 HG3 GLN 21 2HG GLN 21 7.084 -3.493 3.359 161 HE21 GLN 21 2HE2 GLN 21 8.607 -5.159 6.100 162 HE22 GLN 21 1HE2 GLN 21 8.494 -3.825 7.193 163 H CYS 22 H CYS 22 3.670 -5.100 3.240 164 HA CYS 22 HA CYS 22 3.554 -2.343 2.747 165 HB2 CYS 22 1HB CYS 22 2.146 -4.722 1.875 166 HB3 CYS 22 2HB CYS 22 1.044 -3.362 2.056 167 H ASN 23 H ASN 23 1.065 -4.341 4.346 168 HA ASN 23 HA ASN 23 -0.486 -2.240 5.299 169 HB2 ASN 23 1HB ASN 23 -1.667 -3.825 6.504 170 HB3 ASN 23 2HB ASN 23 -0.888 -4.835 5.290 171 HD21 ASN 23 2HD2 ASN 23 -1.702 -4.834 8.367 172 HD22 ASN 23 1HD2 ASN 23 -0.408 -5.746 9.058 173 H TYR 24 H TYR 24 2.478 -3.580 6.525 174 HA TYR 24 HA TYR 24 2.323 -2.534 9.154 175 HB2 TYR 24 1HB TYR 24 3.874 -4.296 8.766 176 HB3 TYR 24 2HB TYR 24 4.641 -3.426 7.442 177 HD1 TYR 24 HD1 TYR 24 4.177 -3.449 11.119 178 HD2 TYR 24 HD2 TYR 24 6.433 -1.939 7.843 179 HE1 TYR 24 HE1 TYR 24 5.835 -2.538 12.689 180 HE2 TYR 24 HE2 TYR 24 8.099 -1.024 9.404 181 HH TYR 24 HH TYR 24 8.203 -1.871 12.685 182 H ASP 25 H ASP 25 3.946 -1.368 6.212 183 HA ASP 25 HA ASP 25 4.847 1.054 7.429 184 HB2 ASP 25 1HB ASP 25 5.834 1.546 5.394 185 HB3 ASP 25 2HB ASP 25 5.739 -0.212 5.311 186 H CYS 26 H CYS 26 1.971 0.059 5.747 187 HA CYS 26 HA CYS 26 1.025 2.708 5.193 188 HB2 CYS 26 1HB CYS 26 -0.290 -0.008 5.142 189 HB3 CYS 26 2HB CYS 26 -1.165 1.475 4.770 190 H LYS 27 H LYS 27 -0.009 0.181 7.487 191 HA LYS 27 HA LYS 27 -1.814 1.850 8.887 192 HB2 LYS 27 1HB LYS 27 -0.428 -0.668 9.824 193 HB3 LYS 27 2HB LYS 27 -1.833 0.071 10.581 194 HG2 LYS 27 1HG LYS 27 -3.259 -0.610 8.921 195 HG3 LYS 27 2HG LYS 27 -1.980 -0.692 7.707 196 HD2 LYS 27 1HD LYS 27 -2.448 -2.929 8.123 197 HD3 LYS 27 2HD LYS 27 -1.050 -2.622 9.157 198 HE2 LYS 27 1HE LYS 27 -3.809 -2.253 10.242 199 HE3 LYS 27 2HE LYS 27 -3.140 -3.877 10.100 200 HZ1 LYS 27 3HZ LYS 27 -2.228 -1.643 11.787 201 HZ2 LYS 27 1HZ LYS 27 -1.136 -2.850 11.325 202 HZ3 LYS 27 2HZ LYS 27 -2.518 -3.254 12.213 203 H LEU 28 H LEU 28 1.547 1.783 8.832 204 HA LEU 28 HA LEU 28 1.998 2.572 11.562 205 HB2 LEU 28 1HB LEU 28 3.779 1.423 10.554 206 HB3 LEU 28 2HB LEU 28 3.716 2.427 9.107 207 HG LEU 28 HG LEU 28 4.664 4.296 10.327 208 HD11 LEU 28 1HD1 LEU 28 4.011 4.271 12.504 209 HD12 LEU 28 2HD1 LEU 28 5.610 3.549 12.689 210 HD13 LEU 28 3HD1 LEU 28 4.178 2.521 12.654 211 HD21 LEU 28 3HD2 LEU 28 6.868 3.162 11.006 212 HD22 LEU 28 1HD2 LEU 28 6.328 3.002 9.334 213 HD23 LEU 28 2HD2 LEU 28 6.100 1.668 10.465 214 H ASP 29 H ASP 29 2.536 4.258 8.461 215 HA ASP 29 HA ASP 29 2.342 6.817 9.855 216 HB2 ASP 29 1HB ASP 29 3.521 5.881 7.305 217 HB3 ASP 29 2HB ASP 29 2.847 7.508 7.291 218 H LYS 30 H LYS 30 0.936 5.224 6.996 219 HA LYS 30 HA LYS 30 -1.047 7.225 6.593 220 HB2 LYS 30 1HB LYS 30 -1.255 4.387 5.616 221 HB3 LYS 30 2HB LYS 30 -1.881 5.848 4.866 222 HG2 LYS 30 1HG LYS 30 1.003 5.010 5.071 223 HG3 LYS 30 2HG LYS 30 0.007 5.068 3.614 224 HD2 LYS 30 1HD LYS 30 0.790 7.440 5.310 225 HD3 LYS 30 2HD LYS 30 1.515 6.997 3.763 226 HE2 LYS 30 1HE LYS 30 -0.675 7.275 2.681 227 HE3 LYS 30 2HE LYS 30 -1.369 7.755 4.228 228 HZ1 LYS 30 3HZ LYS 30 -0.678 9.818 3.901 229 HZ2 LYS 30 1HZ LYS 30 -0.140 9.384 2.356 230 HZ3 LYS 30 2HZ LYS 30 0.921 9.312 3.672 231 H HIS 31 H HIS 31 -0.736 4.821 8.902 232 HA HIS 31 HA HIS 31 -2.143 3.853 10.413 233 HB2 HIS 31 1HB HIS 31 -3.430 6.510 9.868 234 HB3 HIS 31 2HB HIS 31 -4.181 5.369 10.979 235 HD1 HIS 31 HD1 HIS 31 -2.280 4.460 12.870 236 HD2 HIS 31 HD2 HIS 31 -1.800 8.218 11.163 237 HE1 HIS 31 HE1 HIS 31 -0.769 5.721 14.436 238 H ALA 32 H ALA 32 -2.556 3.279 7.530 239 HA ALA 32 HA ALA 32 -5.280 3.058 6.903 240 HB1 ALA 32 3HB ALA 32 -2.887 2.434 5.654 241 HB2 ALA 32 1HB ALA 32 -3.704 0.880 5.821 242 HB3 ALA 32 2HB ALA 32 -4.507 2.214 4.993 243 H ARG 33 H ARG 33 -5.735 0.402 6.274 244 HA ARG 33 HA ARG 33 -5.703 -0.971 8.874 245 HB2 ARG 33 1HB ARG 33 -7.916 0.181 8.334 246 HB3 ARG 33 2HB ARG 33 -8.094 -0.996 7.040 247 HG2 ARG 33 1HG ARG 33 -7.768 -2.766 8.861 248 HG3 ARG 33 2HG ARG 33 -8.072 -1.452 10.000 249 HD2 ARG 33 1HD ARG 33 -10.233 -1.982 9.747 250 HD3 ARG 33 2HD ARG 33 -10.109 -1.140 8.204 251 HE ARG 33 HE ARG 33 -9.342 -3.864 7.956 252 HH11 ARG 33 1HH1 ARG 33 -12.114 -1.778 8.241 253 HH12 ARG 33 2HH1 ARG 33 -13.179 -2.864 7.413 254 HH21 ARG 33 1HH2 ARG 33 -10.735 -5.303 6.866 255 HH22 ARG 33 2HH2 ARG 33 -12.395 -4.870 6.632 256 H SER 34 H SER 34 -6.152 -1.250 5.375 257 HA SER 34 HA SER 34 -5.096 -3.995 5.545 258 HB2 SER 34 1HB SER 34 -7.557 -3.889 4.992 259 HB3 SER 34 2HB SER 34 -7.116 -3.056 3.501 260 HG SER 34 HG SER 34 -7.332 -5.310 3.187 261 H GLY 35 H GLY 35 -3.524 -1.681 5.195 262 HA2 GLY 35 1HA GLY 35 -2.955 -0.878 2.621 263 HA3 GLY 35 2HA GLY 35 -1.752 -1.010 3.894 264 H GLU 36 H GLU 36 -2.512 -1.997 0.851 265 HA GLU 36 HA GLU 36 -0.504 -4.090 0.936 266 HB2 GLU 36 1HB GLU 36 -2.934 -5.029 1.293 267 HB3 GLU 36 2HB GLU 36 -3.066 -4.788 -0.444 268 HG2 GLU 36 1HG GLU 36 -1.340 -6.322 -0.893 269 HG3 GLU 36 2HG GLU 36 -0.823 -6.351 0.792 270 H CYS 37 H CYS 37 0.001 -4.884 -1.313 271 HA CYS 37 HA CYS 37 -0.138 -2.605 -3.161 272 HB2 CYS 37 1HB CYS 37 1.873 -3.407 -4.158 273 HB3 CYS 37 2HB CYS 37 2.108 -3.493 -2.416 274 H PHE 38 H PHE 38 -0.543 -2.954 -5.393 275 HA PHE 38 HA PHE 38 -1.359 -5.513 -6.376 276 HB2 PHE 38 1HB PHE 38 -3.386 -3.589 -5.385 277 HB3 PHE 38 2HB PHE 38 -3.723 -4.351 -6.934 278 HD1 PHE 38 HD1 PHE 38 -3.025 -7.021 -6.813 279 HD2 PHE 38 HD2 PHE 38 -4.436 -4.585 -3.620 280 HE1 PHE 38 HE1 PHE 38 -3.841 -9.028 -5.647 281 HE2 PHE 38 HE2 PHE 38 -5.253 -6.588 -2.449 282 HZ PHE 38 HZ PHE 38 -4.956 -8.814 -3.462 283 H TYR 39 H TYR 39 -1.861 -5.485 -8.634 284 HA TYR 39 HA TYR 39 -0.312 -3.703 -10.132 285 HB2 TYR 39 1HB TYR 39 -1.452 -4.691 -12.110 286 HB3 TYR 39 2HB TYR 39 -0.854 -5.904 -10.983 287 HD1 TYR 39 HD2 TYR 39 -3.889 -4.196 -12.209 288 HD2 TYR 39 HD1 TYR 39 -2.341 -7.410 -9.892 289 HE1 TYR 39 HE2 TYR 39 -6.135 -5.193 -12.103 290 HE2 TYR 39 HE1 TYR 39 -4.582 -8.417 -9.780 291 HH TYR 39 HH TYR 39 -6.750 -8.138 -10.229 292 H ASP 40 H ASP 40 -0.798 -1.943 -11.407 293 HA ASP 40 HA ASP 40 -3.323 -0.598 -10.754 294 HB2 ASP 40 1HB ASP 40 -0.800 0.362 -10.581 295 HB3 ASP 40 2HB ASP 40 -1.213 0.878 -12.214 296 H GLU 41 H GLU 41 -3.694 1.137 -12.740 297 HA GLU 41 HA GLU 41 -4.748 -0.480 -14.828 298 HB2 GLU 41 1HB GLU 41 -5.489 1.621 -15.823 299 HB3 GLU 41 2HB GLU 41 -5.840 1.594 -14.101 300 HG2 GLU 41 1HG GLU 41 -3.565 2.837 -13.894 301 HG3 GLU 41 2HG GLU 41 -3.830 3.208 -15.597 302 H LYS 42 H LYS 42 -1.745 1.105 -14.336 303 HA LYS 42 HA LYS 42 -1.059 0.958 -17.180 304 HB2 LYS 42 1HB LYS 42 0.407 2.194 -14.843 305 HB3 LYS 42 2HB LYS 42 0.998 2.188 -16.500 306 HG2 LYS 42 1HG LYS 42 -1.651 3.384 -15.752 307 HG3 LYS 42 2HG LYS 42 -0.143 4.300 -15.686 308 HD2 LYS 42 1HD LYS 42 0.236 3.815 -18.067 309 HD3 LYS 42 2HD LYS 42 -1.293 2.937 -18.123 310 HE2 LYS 42 1HE LYS 42 -2.301 5.152 -17.221 311 HE3 LYS 42 2HE LYS 42 -0.803 5.873 -17.805 312 HZ1 LYS 42 3HZ LYS 42 -2.965 4.596 -19.339 313 HZ2 LYS 42 1HZ LYS 42 -1.396 4.629 -19.972 314 HZ3 LYS 42 2HZ LYS 42 -2.193 6.076 -19.609 315 H ARG 43 H ARG 43 -1.361 -1.394 -15.386 316 HA ARG 43 HA ARG 43 -0.329 -3.373 -14.937 317 HB2 ARG 43 1HB ARG 43 1.308 -2.389 -17.270 318 HB3 ARG 43 2HB ARG 43 1.563 -3.969 -16.539 319 HG2 ARG 43 1HG ARG 43 0.143 -4.553 -18.212 320 HG3 ARG 43 2HG ARG 43 -1.037 -4.184 -16.953 321 HD2 ARG 43 1HD ARG 43 -1.710 -3.151 -19.031 322 HD3 ARG 43 2HD ARG 43 -1.257 -1.906 -17.868 323 HE ARG 43 HE ARG 43 0.467 -1.293 -19.245 324 HH11 ARG 43 1HH1 ARG 43 -0.737 -4.408 -20.230 325 HH12 ARG 43 2HH1 ARG 43 0.207 -4.459 -21.682 326 HH21 ARG 43 1HH2 ARG 43 1.715 -1.349 -21.154 327 HH22 ARG 43 2HH2 ARG 43 1.602 -2.719 -22.206 328 H ASN 44 H ASN 44 0.591 -0.896 -13.573 329 HA ASN 44 HA ASN 44 3.355 -1.660 -12.925 330 HB2 ASN 44 1HB ASN 44 1.837 0.918 -12.741 331 HB3 ASN 44 2HB ASN 44 3.223 0.650 -11.690 332 HD21 ASN 44 2HD2 ASN 44 3.235 2.692 -13.485 333 HD22 ASN 44 1HD2 ASN 44 4.368 2.361 -14.748 334 H LEU 45 H LEU 45 3.893 -2.379 -10.942 335 HA LEU 45 HA LEU 45 1.722 -2.882 -9.066 336 HB2 LEU 45 1HB LEU 45 4.555 -3.762 -8.677 337 HB3 LEU 45 2HB LEU 45 3.069 -4.512 -8.096 338 HG LEU 45 HG LEU 45 3.950 -4.477 -10.982 339 HD11 LEU 45 1HD1 LEU 45 5.433 -5.774 -9.403 340 HD12 LEU 45 2HD1 LEU 45 4.701 -6.700 -10.713 341 HD13 LEU 45 3HD1 LEU 45 4.040 -6.806 -9.083 342 HD21 LEU 45 3HD2 LEU 45 1.679 -4.797 -11.086 343 HD22 LEU 45 1HD2 LEU 45 1.606 -5.582 -9.508 344 HD23 LEU 45 2HD2 LEU 45 2.237 -6.461 -10.901 345 H GLN 46 H GLN 46 1.400 -1.723 -7.286 346 HA GLN 46 HA GLN 46 3.635 -0.321 -6.037 347 HB2 GLN 46 1HB GLN 46 1.057 1.136 -6.589 348 HB3 GLN 46 2HB GLN 46 2.579 1.803 -6.013 349 HG2 GLN 46 1HG GLN 46 3.576 1.152 -8.226 350 HG3 GLN 46 2HG GLN 46 1.938 0.792 -8.766 351 HE21 GLN 46 2HE2 GLN 46 1.585 2.356 -10.216 352 HE22 GLN 46 1HE2 GLN 46 1.661 4.049 -9.882 353 H CYS 47 H CYS 47 3.092 0.501 -3.872 354 HA CYS 47 HA CYS 47 1.275 -1.352 -2.533 355 HB2 CYS 47 1HB CYS 47 3.654 -1.032 -1.760 356 HB3 CYS 47 2HB CYS 47 3.206 0.598 -1.268 357 H ILE 48 H ILE 48 -0.758 -0.690 -2.324 358 HA ILE 48 HA ILE 48 -1.308 2.164 -1.934 359 HB ILE 48 HB ILE 48 -3.262 -0.057 -2.540 360 HG12 ILE 48 1HG1 ILE 48 -3.194 1.509 -4.767 361 HG13 ILE 48 2HG1 ILE 48 -1.511 1.584 -4.257 362 HG21 ILE 48 1HG2 ILE 48 -4.826 1.722 -3.040 363 HG22 ILE 48 2HG2 ILE 48 -4.219 1.901 -1.395 364 HG23 ILE 48 3HG2 ILE 48 -3.599 2.936 -2.680 365 HD11 ILE 48 3HD1 ILE 48 -2.298 -1.113 -4.087 366 HD12 ILE 48 1HD1 ILE 48 -2.881 -0.496 -5.633 367 HD13 ILE 48 2HD1 ILE 48 -1.171 -0.370 -5.223 368 H CYS 49 H CYS 49 -2.411 2.944 -0.176 369 HA CYS 49 HA CYS 49 -2.864 1.029 2.019 370 HB2 CYS 49 1HB CYS 49 -2.201 3.954 2.359 371 HB3 CYS 49 2HB CYS 49 -2.200 2.697 3.592 372 H ASP 50 H ASP 50 -4.827 0.971 2.930 373 HA ASP 50 HA ASP 50 -6.754 3.069 2.169 374 HB2 ASP 50 1HB ASP 50 -7.127 0.781 1.149 375 HB3 ASP 50 2HB ASP 50 -7.448 0.195 2.779 376 H TYR 51 H TYR 51 -7.526 4.220 3.803 377 HA TYR 51 HA TYR 51 -7.406 3.067 6.510 378 HB2 TYR 51 1HB TYR 51 -5.916 4.968 6.291 379 HB3 TYR 51 2HB TYR 51 -7.216 5.954 5.633 380 HD1 TYR 51 HD2 TYR 51 -7.336 3.650 8.549 381 HD2 TYR 51 HD1 TYR 51 -7.410 7.685 7.200 382 HE1 TYR 51 HE2 TYR 51 -7.915 4.393 10.821 383 HE2 TYR 51 HE1 TYR 51 -7.987 8.440 9.468 384 HH TYR 51 HH TYR 51 -7.598 7.426 11.899 385 H CYS 52 H CYS 52 -9.291 2.641 7.427 386 HA CYS 52 HA CYS 52 -11.706 3.930 6.365 387 HB2 CYS 52 1HB CYS 52 -11.174 1.310 7.712 388 HB3 CYS 52 2HB CYS 52 -12.782 2.018 7.815 389 H GLU 53 H GLU 53 -13.508 4.028 8.148 390 HA GLU 53 HA GLU 53 -12.338 5.483 10.421 391 HB2 GLU 53 1HB GLU 53 -13.953 6.591 8.706 392 HB3 GLU 53 2HB GLU 53 -15.207 5.718 9.574 393 HG2 GLU 53 1HG GLU 53 -13.272 7.428 11.069 394 HG3 GLU 53 2HG GLU 53 -14.642 8.157 10.232 395 H TYR 54 H TYR 54 -12.169 4.121 12.096 396 HA TYR 54 HA TYR 54 -14.571 2.593 12.856 397 HB2 TYR 54 1HB TYR 54 -13.163 0.812 13.700 398 HB3 TYR 54 2HB TYR 54 -12.761 1.117 12.014 399 HD1 TYR 54 HD1 TYR 54 -11.612 1.463 15.489 400 HD2 TYR 54 HD2 TYR 54 -10.603 1.980 11.388 401 HE1 TYR 54 HE1 TYR 54 -9.250 1.753 16.113 402 HE2 TYR 54 HE2 TYR 54 -8.238 2.271 12.000 403 HH TYR 54 HH TYR 54 -6.765 1.461 14.089 Start of MODEL 4 1 H1 ASP 2 H ASP 2 -17.599 4.732 2.689 2 HA ASP 2 HA ASP 2 -16.809 6.612 3.732 3 HB2 ASP 2 1HB ASP 2 -17.079 6.544 6.212 4 HB3 ASP 2 2HB ASP 2 -18.479 5.929 5.337 5 H CYS 3 H CYS 3 -14.736 4.888 2.814 6 HA CYS 3 HA CYS 3 -12.645 5.541 4.781 7 HB2 CYS 3 1HB CYS 3 -12.546 3.121 2.981 8 HB3 CYS 3 2HB CYS 3 -11.491 3.503 4.338 9 H LYS 4 H LYS 4 -10.404 5.397 3.648 10 HA LYS 4 HA LYS 4 -10.596 6.561 0.951 11 HB2 LYS 4 1HB LYS 4 -8.546 7.959 1.728 12 HB3 LYS 4 2HB LYS 4 -10.162 8.475 2.190 13 HG2 LYS 4 1HG LYS 4 -9.860 7.408 4.382 14 HG3 LYS 4 2HG LYS 4 -8.220 6.950 3.915 15 HD2 LYS 4 1HD LYS 4 -9.192 9.800 3.921 16 HD3 LYS 4 2HD LYS 4 -8.430 9.041 5.321 17 HE2 LYS 4 1HE LYS 4 -7.054 8.894 2.684 18 HE3 LYS 4 2HE LYS 4 -7.021 10.418 3.571 19 HZ1 LYS 4 3HZ LYS 4 -5.153 8.732 3.967 20 HZ2 LYS 4 1HZ LYS 4 -6.286 7.887 4.897 21 HZ3 LYS 4 2HZ LYS 4 -5.858 9.468 5.317 22 H ARG 5 H ARG 5 -8.644 6.372 -0.333 23 HA ARG 5 HA ARG 5 -6.657 4.451 0.590 24 HB2 ARG 5 1HB ARG 5 -6.921 3.124 -1.531 25 HB3 ARG 5 2HB ARG 5 -8.244 2.960 -0.383 26 HG2 ARG 5 1HG ARG 5 -9.355 3.185 -2.387 27 HG3 ARG 5 2HG ARG 5 -9.356 4.841 -1.776 28 HD2 ARG 5 1HD ARG 5 -8.129 5.570 -3.492 29 HD3 ARG 5 2HD ARG 5 -6.977 4.245 -3.326 30 HE ARG 5 HE ARG 5 -9.461 3.464 -4.539 31 HH11 ARG 5 1HH1 ARG 5 -6.303 4.817 -5.105 32 HH12 ARG 5 2HH1 ARG 5 -6.253 4.339 -6.770 33 HH21 ARG 5 1HH2 ARG 5 -9.407 2.831 -6.730 34 HH22 ARG 5 2HH2 ARG 5 -8.020 3.210 -7.693 35 H LYS 6 H LYS 6 -4.686 4.611 -0.448 36 HA LYS 6 HA LYS 6 -4.412 6.357 -2.753 37 HB2 LYS 6 1HB LYS 6 -4.273 7.986 -0.998 38 HB3 LYS 6 2HB LYS 6 -3.175 6.974 -0.069 39 HG2 LYS 6 1HG LYS 6 -1.389 7.373 -1.539 40 HG3 LYS 6 2HG LYS 6 -2.455 8.029 -2.784 41 HD2 LYS 6 1HD LYS 6 -2.165 9.326 -0.088 42 HD3 LYS 6 2HD LYS 6 -1.070 9.691 -1.422 43 HE2 LYS 6 1HE LYS 6 -4.059 9.888 -1.683 44 HE3 LYS 6 2HE LYS 6 -3.071 11.232 -1.112 45 HZ1 LYS 6 3HZ LYS 6 -2.225 9.958 -3.589 46 HZ2 LYS 6 1HZ LYS 6 -2.219 11.594 -3.154 47 HZ3 LYS 6 2HZ LYS 6 -3.656 10.858 -3.662 48 H VAL 7 H VAL 7 -2.486 6.062 -3.892 49 HA VAL 7 HA VAL 7 -1.075 3.590 -3.219 50 HB VAL 7 HB VAL 7 -1.953 3.713 -5.475 51 HG11 VAL 7 1HG1 VAL 7 -0.236 5.660 -6.655 52 HG12 VAL 7 2HG1 VAL 7 -2.000 5.610 -6.627 53 HG13 VAL 7 3HG1 VAL 7 -1.119 6.409 -5.325 54 HG21 VAL 7 3HG2 VAL 7 0.243 2.591 -5.012 55 HG22 VAL 7 1HG2 VAL 7 0.008 3.100 -6.685 56 HG23 VAL 7 2HG2 VAL 7 1.039 4.046 -5.611 57 H TYR 8 H TYR 8 1.081 3.476 -2.809 58 HA TYR 8 HA TYR 8 2.460 6.034 -2.407 59 HB2 TYR 8 1HB TYR 8 2.146 4.015 -0.653 60 HB3 TYR 8 2HB TYR 8 3.660 3.517 -1.397 61 HD1 TYR 8 HD2 TYR 8 4.933 6.140 -1.904 62 HD2 TYR 8 HD1 TYR 8 2.766 4.736 1.478 63 HE1 TYR 8 HE2 TYR 8 6.159 7.717 -0.470 64 HE2 TYR 8 HE1 TYR 8 3.987 6.310 2.921 65 HH TYR 8 HH TYR 8 5.504 7.924 3.016 66 H GLU 9 H GLU 9 2.795 6.091 -4.782 67 HA GLU 9 HA GLU 9 4.473 4.196 -6.064 68 HB2 GLU 9 1HB GLU 9 4.543 5.731 -7.902 69 HB3 GLU 9 2HB GLU 9 2.918 5.769 -7.234 70 HG2 GLU 9 1HG GLU 9 3.574 7.817 -5.964 71 HG3 GLU 9 2HG GLU 9 5.092 7.811 -6.860 72 H ASN 10 H ASN 10 5.120 6.587 -3.784 73 HA ASN 10 HA ASN 10 7.796 7.205 -4.680 74 HB2 ASN 10 1HB ASN 10 5.951 8.206 -2.670 75 HB3 ASN 10 2HB ASN 10 7.576 8.012 -2.020 76 HD21 ASN 10 2HD2 ASN 10 5.945 10.405 -2.689 77 HD22 ASN 10 1HD2 ASN 10 6.948 11.351 -3.731 78 H TYR 11 H TYR 11 6.275 4.804 -2.775 79 HA TYR 11 HA TYR 11 8.648 4.122 -1.263 80 HB2 TYR 11 1HB TYR 11 5.826 3.443 -1.185 81 HB3 TYR 11 2HB TYR 11 6.837 2.009 -1.043 82 HD1 TYR 11 HD2 TYR 11 7.444 5.464 0.214 83 HD2 TYR 11 HD1 TYR 11 6.692 1.393 1.199 84 HE1 TYR 11 HE2 TYR 11 7.825 5.973 2.589 85 HE2 TYR 11 HE1 TYR 11 7.070 1.893 3.577 86 HH TYR 11 HH TYR 11 7.544 3.452 5.079 87 HA PRO 12 HA PRO 12 10.405 1.191 -4.014 88 HB2 PRO 12 1HB PRO 12 11.332 -0.694 -2.293 89 HB3 PRO 12 2HB PRO 12 12.075 0.901 -2.463 90 HG2 PRO 12 1HG PRO 12 10.155 -0.082 -0.388 91 HG3 PRO 12 2HG PRO 12 11.610 0.911 -0.185 92 HD2 PRO 12 1HD PRO 12 9.117 1.967 -0.202 93 HD3 PRO 12 2HD PRO 12 10.530 2.846 -0.819 94 H VAL 13 H VAL 13 9.471 -0.251 -5.311 95 HA VAL 13 HA VAL 13 7.121 -1.665 -4.586 96 HB VAL 13 HB VAL 13 8.895 -2.179 -6.975 97 HG11 VAL 13 1HG1 VAL 13 6.702 -2.892 -7.987 98 HG12 VAL 13 2HG1 VAL 13 7.332 -3.949 -6.723 99 HG13 VAL 13 3HG1 VAL 13 6.020 -2.827 -6.363 100 HG21 VAL 13 3HG2 VAL 13 7.079 -0.679 -8.075 101 HG22 VAL 13 1HG2 VAL 13 6.839 -0.076 -6.435 102 HG23 VAL 13 2HG2 VAL 13 8.418 0.073 -7.208 103 H SER 14 H SER 14 10.447 -2.357 -4.240 104 HA SER 14 HA SER 14 10.532 -5.130 -4.447 105 HB2 SER 14 1HB SER 14 12.480 -3.529 -4.086 106 HB3 SER 14 2HB SER 14 12.059 -3.550 -2.374 107 HG SER 14 HG SER 14 13.269 -5.266 -2.330 108 H LYS 15 H LYS 15 9.231 -3.093 -1.942 109 HA LYS 15 HA LYS 15 9.040 -5.150 0.042 110 HB2 LYS 15 1HB LYS 15 7.508 -2.550 -0.101 111 HB3 LYS 15 2HB LYS 15 7.767 -3.545 1.326 112 HG2 LYS 15 1HG LYS 15 9.880 -2.044 -0.208 113 HG3 LYS 15 2HG LYS 15 9.210 -1.603 1.364 114 HD2 LYS 15 1HD LYS 15 10.001 -4.093 1.928 115 HD3 LYS 15 2HD LYS 15 11.159 -3.718 0.649 116 HE2 LYS 15 1HE LYS 15 10.673 -2.053 3.119 117 HE3 LYS 15 2HE LYS 15 12.021 -3.165 2.886 118 HZ1 LYS 15 3HZ LYS 15 12.530 -1.773 0.836 119 HZ2 LYS 15 1HZ LYS 15 12.870 -1.081 2.343 120 HZ3 LYS 15 2HZ LYS 15 11.484 -0.615 1.493 121 H CYS 16 H CYS 16 7.145 -4.156 -2.655 122 HA CYS 16 HA CYS 16 4.581 -4.901 -1.956 123 HB2 CYS 16 1HB CYS 16 5.124 -3.838 -4.093 124 HB3 CYS 16 2HB CYS 16 5.961 -5.295 -4.620 125 H GLN 17 H GLN 17 7.318 -6.921 -2.792 126 HA GLN 17 HA GLN 17 6.044 -9.338 -3.285 127 HB2 GLN 17 1HB GLN 17 8.668 -8.954 -1.833 128 HB3 GLN 17 2HB GLN 17 8.140 -10.411 -2.666 129 HG2 GLN 17 1HG GLN 17 8.033 -8.978 -4.764 130 HG3 GLN 17 2HG GLN 17 8.933 -7.772 -3.846 131 HE21 GLN 17 2HE2 GLN 17 10.552 -8.068 -5.507 132 HE22 GLN 17 1HE2 GLN 17 11.676 -9.373 -5.373 133 H LEU 18 H LEU 18 6.503 -7.633 -0.305 134 HA LEU 18 HA LEU 18 5.560 -9.954 1.228 135 HB2 LEU 18 1HB LEU 18 6.732 -7.356 2.211 136 HB3 LEU 18 2HB LEU 18 6.296 -8.740 3.209 137 HG LEU 18 HG LEU 18 8.380 -8.942 1.055 138 HD11 LEU 18 1HD1 LEU 18 8.647 -7.898 3.851 139 HD12 LEU 18 2HD1 LEU 18 9.295 -7.237 2.351 140 HD13 LEU 18 3HD1 LEU 18 9.989 -8.704 3.040 141 HD21 LEU 18 3HD2 LEU 18 8.745 -10.521 3.435 142 HD22 LEU 18 1HD2 LEU 18 8.585 -11.038 1.757 143 HD23 LEU 18 2HD2 LEU 18 7.144 -10.792 2.744 144 H ALA 19 H ALA 19 3.636 -9.946 2.265 145 HA ALA 19 HA ALA 19 1.814 -7.757 1.655 146 HB1 ALA 19 3HB ALA 19 0.692 -9.689 1.198 147 HB2 ALA 19 1HB ALA 19 1.506 -10.595 2.474 148 HB3 ALA 19 2HB ALA 19 0.211 -9.468 2.881 149 H ASN 20 H ASN 20 3.450 -9.206 4.375 150 HA ASN 20 HA ASN 20 1.894 -7.810 6.355 151 HB2 ASN 20 1HB ASN 20 3.450 -8.765 7.969 152 HB3 ASN 20 2HB ASN 20 2.934 -10.005 6.829 153 HD21 ASN 20 2HD2 ASN 20 4.454 -11.194 5.932 154 HD22 ASN 20 1HD2 ASN 20 6.135 -10.799 5.852 155 H GLN 21 H GLN 21 4.646 -7.138 4.419 156 HA GLN 21 HA GLN 21 5.766 -5.132 6.152 157 HB2 GLN 21 1HB GLN 21 7.175 -6.393 4.580 158 HB3 GLN 21 2HB GLN 21 6.288 -5.703 3.229 159 HG2 GLN 21 1HG GLN 21 8.267 -4.466 3.372 160 HG3 GLN 21 2HG GLN 21 7.022 -3.437 4.080 161 HE21 GLN 21 2HE2 GLN 21 9.620 -5.681 4.860 162 HE22 GLN 21 1HE2 GLN 21 9.993 -4.999 6.404 163 H CYS 22 H CYS 22 3.736 -5.176 3.257 164 HA CYS 22 HA CYS 22 3.662 -2.410 2.796 165 HB2 CYS 22 1HB CYS 22 2.282 -4.764 1.835 166 HB3 CYS 22 2HB CYS 22 1.159 -3.423 2.033 167 H ASN 23 H ASN 23 1.111 -4.407 4.296 168 HA ASN 23 HA ASN 23 -0.448 -2.306 5.233 169 HB2 ASN 23 1HB ASN 23 -1.679 -3.897 6.378 170 HB3 ASN 23 2HB ASN 23 -0.868 -4.900 5.179 171 HD21 ASN 23 2HD2 ASN 23 -1.789 -4.944 8.218 172 HD22 ASN 23 1HD2 ASN 23 -0.522 -5.867 8.945 173 H TYR 24 H TYR 24 2.475 -3.676 6.516 174 HA TYR 24 HA TYR 24 2.252 -2.671 9.158 175 HB2 TYR 24 1HB TYR 24 3.803 -4.437 8.785 176 HB3 TYR 24 2HB TYR 24 4.611 -3.553 7.496 177 HD1 TYR 24 HD1 TYR 24 4.228 -3.898 11.124 178 HD2 TYR 24 HD2 TYR 24 6.219 -1.810 7.997 179 HE1 TYR 24 HE1 TYR 24 5.850 -3.020 12.752 180 HE2 TYR 24 HE2 TYR 24 7.847 -0.927 9.615 181 HH TYR 24 HH TYR 24 8.075 -0.520 11.962 182 H ASP 25 H ASP 25 3.949 -1.469 6.273 183 HA ASP 25 HA ASP 25 4.835 0.928 7.551 184 HB2 ASP 25 1HB ASP 25 5.871 1.449 5.545 185 HB3 ASP 25 2HB ASP 25 5.784 -0.307 5.445 186 H CYS 26 H CYS 26 1.994 -0.028 5.794 187 HA CYS 26 HA CYS 26 1.078 2.638 5.257 188 HB2 CYS 26 1HB CYS 26 -0.211 -0.082 5.086 189 HB3 CYS 26 2HB CYS 26 -1.115 1.397 4.777 190 H LYS 27 H LYS 27 0.043 0.076 7.508 191 HA LYS 27 HA LYS 27 -1.827 1.714 8.876 192 HB2 LYS 27 1HB LYS 27 -0.458 -0.827 9.780 193 HB3 LYS 27 2HB LYS 27 -1.857 -0.096 10.554 194 HG2 LYS 27 1HG LYS 27 -3.287 -0.722 8.877 195 HG3 LYS 27 2HG LYS 27 -2.008 -0.790 7.663 196 HD2 LYS 27 1HD LYS 27 -2.491 -3.031 8.025 197 HD3 LYS 27 2HD LYS 27 -1.100 -2.759 9.077 198 HE2 LYS 27 1HE LYS 27 -2.927 -2.206 10.860 199 HE3 LYS 27 2HE LYS 27 -3.980 -3.127 9.787 200 HZ1 LYS 27 3HZ LYS 27 -2.782 -5.056 10.129 201 HZ2 LYS 27 1HZ LYS 27 -2.753 -4.347 11.665 202 HZ3 LYS 27 2HZ LYS 27 -1.396 -4.244 10.660 203 H LEU 28 H LEU 28 1.542 1.630 8.916 204 HA LEU 28 HA LEU 28 1.911 2.395 11.666 205 HB2 LEU 28 1HB LEU 28 3.699 1.222 10.661 206 HB3 LEU 28 2HB LEU 28 3.721 2.303 9.269 207 HG LEU 28 HG LEU 28 4.547 4.113 10.759 208 HD11 LEU 28 1HD1 LEU 28 5.128 3.767 12.973 209 HD12 LEU 28 2HD1 LEU 28 5.137 2.011 12.804 210 HD13 LEU 28 3HD1 LEU 28 3.606 2.887 12.832 211 HD21 LEU 28 3HD2 LEU 28 6.823 2.964 11.162 212 HD22 LEU 28 1HD2 LEU 28 6.226 3.110 9.509 213 HD23 LEU 28 2HD2 LEU 28 6.085 1.575 10.364 214 H ASP 29 H ASP 29 2.572 4.099 8.599 215 HA ASP 29 HA ASP 29 2.352 6.649 10.004 216 HB2 ASP 29 1HB ASP 29 3.537 5.749 7.424 217 HB3 ASP 29 2HB ASP 29 2.970 7.413 7.523 218 H LYS 30 H LYS 30 1.007 5.072 7.110 219 HA LYS 30 HA LYS 30 -0.937 7.097 6.642 220 HB2 LYS 30 1HB LYS 30 -0.180 4.528 5.465 221 HB3 LYS 30 2HB LYS 30 -1.912 4.827 5.409 222 HG2 LYS 30 1HG LYS 30 -0.091 7.008 4.548 223 HG3 LYS 30 2HG LYS 30 -0.301 5.618 3.480 224 HD2 LYS 30 1HD LYS 30 -2.055 6.815 2.714 225 HD3 LYS 30 2HD LYS 30 -2.872 6.122 4.117 226 HE2 LYS 30 1HE LYS 30 -1.351 8.603 4.598 227 HE3 LYS 30 2HE LYS 30 -2.782 8.762 3.580 228 HZ1 LYS 30 3HZ LYS 30 -3.763 7.292 5.556 229 HZ2 LYS 30 1HZ LYS 30 -3.785 8.984 5.568 230 HZ3 LYS 30 2HZ LYS 30 -2.582 8.147 6.413 231 H HIS 31 H HIS 31 -0.722 4.706 8.976 232 HA HIS 31 HA HIS 31 -2.179 3.779 10.461 233 HB2 HIS 31 1HB HIS 31 -2.523 6.389 10.631 234 HB3 HIS 31 2HB HIS 31 -4.110 6.010 9.967 235 HD1 HIS 31 HD1 HIS 31 -4.863 6.980 12.391 236 HD2 HIS 31 HD2 HIS 31 -2.986 3.274 12.356 237 HE1 HIS 31 HE1 HIS 31 -5.414 5.927 14.607 238 H ALA 32 H ALA 32 -2.524 3.200 7.556 239 HA ALA 32 HA ALA 32 -5.236 2.974 6.882 240 HB1 ALA 32 3HB ALA 32 -3.300 2.722 5.320 241 HB2 ALA 32 1HB ALA 32 -3.041 1.112 5.995 242 HB3 ALA 32 2HB ALA 32 -4.545 1.485 5.151 243 H ARG 33 H ARG 33 -5.655 0.312 6.230 244 HA ARG 33 HA ARG 33 -5.651 -1.080 8.819 245 HB2 ARG 33 1HB ARG 33 -8.030 -0.916 6.961 246 HB3 ARG 33 2HB ARG 33 -7.961 -1.769 8.497 247 HG2 ARG 33 1HG ARG 33 -7.297 0.679 9.340 248 HG3 ARG 33 2HG ARG 33 -8.278 1.111 7.938 249 HD2 ARG 33 1HD ARG 33 -10.143 -0.147 8.792 250 HD3 ARG 33 2HD ARG 33 -9.165 -0.767 10.121 251 HE ARG 33 HE ARG 33 -10.493 1.755 10.001 252 HH11 ARG 33 1HH1 ARG 33 -7.707 0.110 11.287 253 HH12 ARG 33 2HH1 ARG 33 -7.530 1.187 12.632 254 HH21 ARG 33 1HH2 ARG 33 -10.269 3.181 11.767 255 HH22 ARG 33 2HH2 ARG 33 -8.988 2.933 12.905 256 H SER 34 H SER 34 -6.150 -1.338 5.320 257 HA SER 34 HA SER 34 -5.100 -4.089 5.463 258 HB2 SER 34 1HB SER 34 -7.608 -3.703 4.807 259 HB3 SER 34 2HB SER 34 -6.933 -3.223 3.251 260 HG SER 34 HG SER 34 -7.235 -5.372 3.065 261 H GLY 35 H GLY 35 -3.487 -1.795 5.173 262 HA2 GLY 35 1HA GLY 35 -2.859 -0.948 2.632 263 HA3 GLY 35 2HA GLY 35 -1.673 -1.153 3.913 264 H GLU 36 H GLU 36 -2.509 -2.077 0.843 265 HA GLU 36 HA GLU 36 -0.536 -4.213 0.881 266 HB2 GLU 36 1HB GLU 36 -2.866 -5.203 1.250 267 HB3 GLU 36 2HB GLU 36 -3.214 -4.717 -0.404 268 HG2 GLU 36 1HG GLU 36 -2.530 -7.088 -0.155 269 HG3 GLU 36 2HG GLU 36 -1.527 -6.157 -1.266 270 H CYS 37 H CYS 37 0.038 -4.918 -1.349 271 HA CYS 37 HA CYS 37 -0.094 -2.614 -3.166 272 HB2 CYS 37 1HB CYS 37 1.957 -3.361 -4.122 273 HB3 CYS 37 2HB CYS 37 2.150 -3.474 -2.375 274 H PHE 38 H PHE 38 -0.471 -2.921 -5.398 275 HA PHE 38 HA PHE 38 -1.204 -5.485 -6.444 276 HB2 PHE 38 1HB PHE 38 -3.287 -3.618 -5.462 277 HB3 PHE 38 2HB PHE 38 -3.576 -4.349 -7.038 278 HD1 PHE 38 HD1 PHE 38 -2.979 -6.991 -7.036 279 HD2 PHE 38 HD2 PHE 38 -4.215 -4.693 -3.674 280 HE1 PHE 38 HE1 PHE 38 -3.787 -9.039 -5.938 281 HE2 PHE 38 HE2 PHE 38 -5.025 -6.737 -2.570 282 HZ PHE 38 HZ PHE 38 -4.810 -8.914 -3.702 283 H TYR 39 H TYR 39 -1.733 -5.407 -8.717 284 HA TYR 39 HA TYR 39 -0.160 -3.582 -10.154 285 HB2 TYR 39 1HB TYR 39 -1.296 -4.548 -12.169 286 HB3 TYR 39 2HB TYR 39 -0.605 -5.750 -11.085 287 HD1 TYR 39 HD2 TYR 39 -3.763 -4.186 -12.197 288 HD2 TYR 39 HD1 TYR 39 -1.976 -7.371 -10.014 289 HE1 TYR 39 HE2 TYR 39 -5.944 -5.315 -12.073 290 HE2 TYR 39 HE1 TYR 39 -4.153 -8.511 -9.886 291 HH TYR 39 HH TYR 39 -6.281 -8.493 -10.526 292 H ASP 40 H ASP 40 -0.603 -1.727 -11.236 293 HA ASP 40 HA ASP 40 -3.159 -0.451 -10.638 294 HB2 ASP 40 1HB ASP 40 -0.600 0.506 -10.568 295 HB3 ASP 40 2HB ASP 40 -1.148 1.087 -12.138 296 H GLU 41 H GLU 41 -3.714 1.225 -12.556 297 HA GLU 41 HA GLU 41 -4.789 -0.348 -14.623 298 HB2 GLU 41 1HB GLU 41 -5.526 1.728 -15.614 299 HB3 GLU 41 2HB GLU 41 -5.733 1.817 -13.870 300 HG2 GLU 41 1HG GLU 41 -3.463 2.996 -13.848 301 HG3 GLU 41 2HG GLU 41 -3.696 3.184 -15.585 302 H LYS 42 H LYS 42 -1.725 1.178 -14.256 303 HA LYS 42 HA LYS 42 -1.116 0.868 -17.109 304 HB2 LYS 42 1HB LYS 42 0.393 2.260 -14.890 305 HB3 LYS 42 2HB LYS 42 0.966 2.128 -16.547 306 HG2 LYS 42 1HG LYS 42 -1.725 3.296 -16.065 307 HG3 LYS 42 2HG LYS 42 -0.297 4.268 -15.702 308 HD2 LYS 42 1HD LYS 42 -0.471 2.859 -18.327 309 HD3 LYS 42 2HD LYS 42 -1.399 4.339 -18.083 310 HE2 LYS 42 1HE LYS 42 0.545 5.227 -18.890 311 HE3 LYS 42 2HE LYS 42 0.911 5.224 -17.165 312 HZ1 LYS 42 3HZ LYS 42 1.603 2.788 -18.566 313 HZ2 LYS 42 1HZ LYS 42 2.483 3.668 -17.421 314 HZ3 LYS 42 2HZ LYS 42 2.487 4.150 -19.041 315 H ARG 43 H ARG 43 -1.372 -1.359 -15.152 316 HA ARG 43 HA ARG 43 -0.337 -3.313 -14.618 317 HB2 ARG 43 1HB ARG 43 1.082 -2.437 -17.102 318 HB3 ARG 43 2HB ARG 43 1.679 -3.841 -16.226 319 HG2 ARG 43 1HG ARG 43 -1.188 -3.596 -17.074 320 HG3 ARG 43 2HG ARG 43 0.058 -4.256 -18.136 321 HD2 ARG 43 1HD ARG 43 0.614 -5.795 -16.136 322 HD3 ARG 43 2HD ARG 43 -0.981 -5.334 -15.540 323 HE ARG 43 HE ARG 43 -1.913 -6.701 -17.113 324 HH11 ARG 43 1HH1 ARG 43 1.380 -6.028 -18.020 325 HH12 ARG 43 2HH1 ARG 43 1.379 -7.139 -19.350 326 HH21 ARG 43 1HH2 ARG 43 -1.926 -8.168 -18.860 327 HH22 ARG 43 2HH2 ARG 43 -0.503 -8.355 -19.826 328 H ASN 44 H ASN 44 0.589 -0.768 -13.396 329 HA ASN 44 HA ASN 44 3.380 -1.437 -12.780 330 HB2 ASN 44 1HB ASN 44 1.794 1.074 -12.197 331 HB3 ASN 44 2HB ASN 44 3.486 0.825 -11.779 332 HD21 ASN 44 2HD2 ASN 44 2.705 2.944 -13.323 333 HD22 ASN 44 1HD2 ASN 44 3.285 2.731 -14.937 334 H LEU 45 H LEU 45 3.851 -2.434 -10.942 335 HA LEU 45 HA LEU 45 1.801 -2.909 -8.972 336 HB2 LEU 45 1HB LEU 45 4.681 -3.670 -8.666 337 HB3 LEU 45 2HB LEU 45 3.250 -4.475 -8.025 338 HG LEU 45 HG LEU 45 4.052 -4.429 -10.934 339 HD11 LEU 45 1HD1 LEU 45 4.120 -6.852 -9.194 340 HD12 LEU 45 2HD1 LEU 45 5.482 -5.731 -9.188 341 HD13 LEU 45 3HD1 LEU 45 4.992 -6.515 -10.689 342 HD21 LEU 45 3HD2 LEU 45 1.663 -4.642 -10.660 343 HD22 LEU 45 1HD2 LEU 45 1.881 -5.912 -9.456 344 HD23 LEU 45 2HD2 LEU 45 2.341 -6.200 -11.133 345 H GLN 46 H GLN 46 1.421 -1.685 -7.255 346 HA GLN 46 HA GLN 46 3.629 -0.248 -5.986 347 HB2 GLN 46 1HB GLN 46 1.017 1.134 -6.586 348 HB3 GLN 46 2HB GLN 46 2.491 1.848 -5.947 349 HG2 GLN 46 1HG GLN 46 3.611 1.573 -8.041 350 HG3 GLN 46 2HG GLN 46 2.259 0.649 -8.694 351 HE21 GLN 46 2HE2 GLN 46 1.255 1.803 -10.168 352 HE22 GLN 46 1HE2 GLN 46 0.860 3.480 -10.055 353 H CYS 47 H CYS 47 3.077 0.550 -3.822 354 HA CYS 47 HA CYS 47 1.290 -1.332 -2.485 355 HB2 CYS 47 1HB CYS 47 3.675 -0.948 -1.723 356 HB3 CYS 47 2HB CYS 47 3.167 0.654 -1.200 357 H ILE 48 H ILE 48 -0.754 -0.706 -2.277 358 HA ILE 48 HA ILE 48 -1.353 2.137 -1.880 359 HB ILE 48 HB ILE 48 -3.268 -0.113 -2.504 360 HG12 ILE 48 1HG1 ILE 48 -3.219 1.463 -4.724 361 HG13 ILE 48 2HG1 ILE 48 -1.540 1.570 -4.206 362 HG21 ILE 48 1HG2 ILE 48 -4.886 1.596 -2.940 363 HG22 ILE 48 2HG2 ILE 48 -4.207 1.880 -1.338 364 HG23 ILE 48 3HG2 ILE 48 -3.683 2.864 -2.705 365 HD11 ILE 48 3HD1 ILE 48 -2.230 -1.139 -4.042 366 HD12 ILE 48 1HD1 ILE 48 -2.889 -0.550 -5.568 367 HD13 ILE 48 2HD1 ILE 48 -1.170 -0.359 -5.216 368 H CYS 49 H CYS 49 -2.378 2.901 -0.090 369 HA CYS 49 HA CYS 49 -2.825 0.967 2.088 370 HB2 CYS 49 1HB CYS 49 -2.259 3.910 2.438 371 HB3 CYS 49 2HB CYS 49 -2.200 2.644 3.660 372 H ASP 50 H ASP 50 -4.820 0.772 2.867 373 HA ASP 50 HA ASP 50 -6.820 2.779 2.072 374 HB2 ASP 50 1HB ASP 50 -6.853 0.071 1.639 375 HB3 ASP 50 2HB ASP 50 -7.816 0.218 3.107 376 H TYR 51 H TYR 51 -7.250 4.167 3.651 377 HA TYR 51 HA TYR 51 -7.165 3.233 6.433 378 HB2 TYR 51 1HB TYR 51 -5.742 5.144 5.999 379 HB3 TYR 51 2HB TYR 51 -7.082 6.024 5.274 380 HD1 TYR 51 HD2 TYR 51 -6.898 4.058 8.441 381 HD2 TYR 51 HD1 TYR 51 -7.482 7.863 6.629 382 HE1 TYR 51 HE2 TYR 51 -7.453 5.014 10.639 383 HE2 TYR 51 HE1 TYR 51 -8.038 8.830 8.821 384 HH TYR 51 HH TYR 51 -7.351 8.043 11.406 385 H CYS 52 H CYS 52 -9.006 2.858 7.457 386 HA CYS 52 HA CYS 52 -11.492 3.956 6.348 387 HB2 CYS 52 1HB CYS 52 -10.789 1.473 7.820 388 HB3 CYS 52 2HB CYS 52 -12.377 2.164 8.138 389 H GLU 53 H GLU 53 -12.761 5.315 7.478 390 HA GLU 53 HA GLU 53 -12.087 5.816 10.298 391 HB2 GLU 53 1HB GLU 53 -12.473 8.224 9.922 392 HB3 GLU 53 2HB GLU 53 -11.112 7.613 8.994 393 HG2 GLU 53 1HG GLU 53 -12.100 8.810 7.361 394 HG3 GLU 53 2HG GLU 53 -13.013 7.316 7.158 395 H TYR 54 H TYR 54 -13.776 5.667 11.614 396 HA TYR 54 HA TYR 54 -16.453 5.518 10.454 397 HB2 TYR 54 1HB TYR 54 -15.601 4.924 13.293 398 HB3 TYR 54 2HB TYR 54 -17.131 4.496 12.534 399 HD1 TYR 54 HD2 TYR 54 -17.235 2.679 10.887 400 HD2 TYR 54 HD1 TYR 54 -13.609 3.629 12.900 401 HE1 TYR 54 HE2 TYR 54 -16.292 0.515 10.197 402 HE2 TYR 54 HE1 TYR 54 -12.655 1.468 12.214 403 HH TYR 54 HH TYR 54 -12.933 -0.332 10.895 Start of MODEL 5 1 H1 ASP 2 H ASP 2 -17.172 6.489 6.308 2 HA ASP 2 HA ASP 2 -17.461 4.897 3.934 3 HB2 ASP 2 1HB ASP 2 -16.846 6.593 2.320 4 HB3 ASP 2 2HB ASP 2 -18.298 7.111 3.171 5 H CYS 3 H CYS 3 -15.348 4.770 2.723 6 HA CYS 3 HA CYS 3 -13.089 5.134 4.581 7 HB2 CYS 3 1HB CYS 3 -13.266 2.913 2.552 8 HB3 CYS 3 2HB CYS 3 -12.172 3.050 3.924 9 H LYS 4 H LYS 4 -10.931 4.923 3.323 10 HA LYS 4 HA LYS 4 -11.083 6.107 0.657 11 HB2 LYS 4 1HB LYS 4 -9.275 7.769 1.410 12 HB3 LYS 4 2HB LYS 4 -10.937 8.103 1.875 13 HG2 LYS 4 1HG LYS 4 -10.539 7.317 4.101 14 HG3 LYS 4 2HG LYS 4 -8.925 6.755 3.660 15 HD2 LYS 4 1HD LYS 4 -8.569 8.799 4.757 16 HD3 LYS 4 2HD LYS 4 -8.437 9.182 3.040 17 HE2 LYS 4 1HE LYS 4 -11.037 9.637 3.338 18 HE3 LYS 4 2HE LYS 4 -10.537 9.924 5.005 19 HZ1 LYS 4 3HZ LYS 4 -9.121 11.657 4.343 20 HZ2 LYS 4 1HZ LYS 4 -10.553 11.910 3.477 21 HZ3 LYS 4 2HZ LYS 4 -9.207 11.234 2.707 22 H ARG 5 H ARG 5 -9.012 6.080 -0.476 23 HA ARG 5 HA ARG 5 -6.944 4.377 0.665 24 HB2 ARG 5 1HB ARG 5 -6.922 2.936 -1.372 25 HB3 ARG 5 2HB ARG 5 -8.359 2.741 -0.378 26 HG2 ARG 5 1HG ARG 5 -9.375 2.867 -2.389 27 HG3 ARG 5 2HG ARG 5 -9.270 4.597 -2.060 28 HD2 ARG 5 1HD ARG 5 -8.387 4.559 -4.163 29 HD3 ARG 5 2HD ARG 5 -6.916 4.309 -3.224 30 HE ARG 5 HE ARG 5 -6.735 2.245 -4.170 31 HH11 ARG 5 1HH1 ARG 5 -10.039 3.307 -4.449 32 HH12 ARG 5 2HH1 ARG 5 -10.532 1.947 -5.404 33 HH21 ARG 5 1HH2 ARG 5 -7.372 0.451 -5.426 34 HH22 ARG 5 2HH2 ARG 5 -9.014 0.323 -5.958 35 H LYS 6 H LYS 6 -4.989 4.306 -0.705 36 HA LYS 6 HA LYS 6 -4.701 6.149 -2.868 37 HB2 LYS 6 1HB LYS 6 -4.757 7.678 -0.882 38 HB3 LYS 6 2HB LYS 6 -3.312 6.874 -0.285 39 HG2 LYS 6 1HG LYS 6 -1.958 7.840 -1.841 40 HG3 LYS 6 2HG LYS 6 -3.248 7.978 -3.039 41 HD2 LYS 6 1HD LYS 6 -3.428 9.583 -0.531 42 HD3 LYS 6 2HD LYS 6 -2.314 10.103 -1.799 43 HE2 LYS 6 1HE LYS 6 -4.416 9.730 -3.337 44 HE3 LYS 6 2HE LYS 6 -5.292 9.946 -1.821 45 HZ1 LYS 6 3HZ LYS 6 -3.325 11.947 -2.059 46 HZ2 LYS 6 1HZ LYS 6 -5.006 12.120 -1.980 47 HZ3 LYS 6 2HZ LYS 6 -4.247 11.917 -3.478 48 H VAL 7 H VAL 7 -2.658 6.013 -3.882 49 HA VAL 7 HA VAL 7 -1.093 3.672 -3.031 50 HB VAL 7 HB VAL 7 -2.053 3.454 -5.258 51 HG11 VAL 7 1HG1 VAL 7 -1.541 6.176 -5.470 52 HG12 VAL 7 2HG1 VAL 7 -0.432 5.426 -6.619 53 HG13 VAL 7 3HG1 VAL 7 -2.165 5.117 -6.735 54 HG21 VAL 7 3HG2 VAL 7 0.932 3.871 -5.242 55 HG22 VAL 7 1HG2 VAL 7 0.062 2.376 -4.907 56 HG23 VAL 7 2HG2 VAL 7 0.048 3.058 -6.532 57 H TYR 8 H TYR 8 1.086 3.796 -2.731 58 HA TYR 8 HA TYR 8 2.322 6.455 -3.032 59 HB2 TYR 8 1HB TYR 8 1.800 5.251 -0.635 60 HB3 TYR 8 2HB TYR 8 3.447 4.715 -0.943 61 HD1 TYR 8 HD1 TYR 8 1.622 7.933 -1.504 62 HD2 TYR 8 HD2 TYR 8 4.963 5.970 0.252 63 HE1 TYR 8 HE1 TYR 8 2.470 10.100 -0.709 64 HE2 TYR 8 HE2 TYR 8 5.820 8.132 1.054 65 HH TYR 8 HH TYR 8 5.196 10.322 1.461 66 H GLU 9 H GLU 9 3.312 5.979 -4.984 67 HA GLU 9 HA GLU 9 4.738 3.624 -5.550 68 HB2 GLU 9 1HB GLU 9 5.709 4.869 -7.417 69 HB3 GLU 9 2HB GLU 9 3.981 5.167 -7.295 70 HG2 GLU 9 1HG GLU 9 5.819 7.055 -5.933 71 HG3 GLU 9 2HG GLU 9 5.713 7.114 -7.692 72 H ASN 10 H ASN 10 5.524 6.347 -3.627 73 HA ASN 10 HA ASN 10 8.310 6.409 -3.825 74 HB2 ASN 10 1HB ASN 10 7.338 8.200 -2.662 75 HB3 ASN 10 2HB ASN 10 6.389 7.135 -1.628 76 HD21 ASN 10 2HD2 ASN 10 9.461 8.621 -2.166 77 HD22 ASN 10 1HD2 ASN 10 10.171 8.193 -0.649 78 H TYR 11 H TYR 11 6.222 4.086 -2.397 79 HA TYR 11 HA TYR 11 8.081 2.987 -0.533 80 HB2 TYR 11 1HB TYR 11 5.425 2.188 -1.630 81 HB3 TYR 11 2HB TYR 11 6.408 0.947 -0.861 82 HD1 TYR 11 HD1 TYR 11 7.619 2.171 1.399 83 HD2 TYR 11 HD2 TYR 11 3.745 2.877 -0.213 84 HE1 TYR 11 HE1 TYR 11 6.843 2.923 3.609 85 HE2 TYR 11 HE2 TYR 11 2.958 3.631 1.993 86 HH TYR 11 HH TYR 11 4.595 4.680 4.270 87 HA PRO 12 HA PRO 12 10.543 0.359 -3.039 88 HB2 PRO 12 1HB PRO 12 10.778 -1.862 -1.494 89 HB3 PRO 12 2HB PRO 12 11.587 -0.337 -1.113 90 HG2 PRO 12 1HG PRO 12 9.051 -1.468 0.007 91 HG3 PRO 12 2HG PRO 12 10.385 -0.661 0.852 92 HD2 PRO 12 1HD PRO 12 8.078 0.609 0.225 93 HD3 PRO 12 2HD PRO 12 9.644 1.444 0.275 94 H VAL 13 H VAL 13 9.889 -0.588 -4.857 95 HA VAL 13 HA VAL 13 7.445 -2.006 -5.106 96 HB VAL 13 HB VAL 13 9.765 -2.045 -7.038 97 HG11 VAL 13 1HG1 VAL 13 6.806 -2.454 -7.464 98 HG12 VAL 13 2HG1 VAL 13 8.050 -2.479 -8.716 99 HG13 VAL 13 3HG1 VAL 13 8.032 -3.721 -7.463 100 HG21 VAL 13 3HG2 VAL 13 9.442 0.194 -7.034 101 HG22 VAL 13 1HG2 VAL 13 8.078 -0.223 -8.071 102 HG23 VAL 13 2HG2 VAL 13 7.821 0.068 -6.351 103 H SER 14 H SER 14 10.806 -3.002 -4.752 104 HA SER 14 HA SER 14 10.464 -5.735 -5.312 105 HB2 SER 14 1HB SER 14 12.498 -4.241 -3.658 106 HB3 SER 14 2HB SER 14 12.574 -5.987 -3.892 107 HG SER 14 HG SER 14 13.812 -5.018 -5.474 108 H LYS 15 H LYS 15 10.486 -3.996 -2.209 109 HA LYS 15 HA LYS 15 9.842 -6.320 -0.678 110 HB2 LYS 15 1HB LYS 15 10.325 -3.470 -0.170 111 HB3 LYS 15 2HB LYS 15 9.134 -4.190 0.906 112 HG2 LYS 15 1HG LYS 15 11.401 -4.265 1.832 113 HG3 LYS 15 2HG LYS 15 10.719 -5.876 1.598 114 HD2 LYS 15 1HD LYS 15 12.027 -6.227 -0.366 115 HD3 LYS 15 2HD LYS 15 12.544 -4.539 -0.393 116 HE2 LYS 15 1HE LYS 15 13.707 -4.905 1.761 117 HE3 LYS 15 2HE LYS 15 13.251 -6.607 1.688 118 HZ1 LYS 15 3HZ LYS 15 15.520 -5.514 0.656 119 HZ2 LYS 15 1HZ LYS 15 14.536 -5.711 -0.706 120 HZ3 LYS 15 2HZ LYS 15 14.896 -7.040 0.277 121 H CYS 16 H CYS 16 8.024 -4.208 -2.610 122 HA CYS 16 HA CYS 16 5.580 -4.044 -1.304 123 HB2 CYS 16 1HB CYS 16 6.547 -3.322 -3.786 124 HB3 CYS 16 2HB CYS 16 5.327 -4.528 -4.179 125 H GLN 17 H GLN 17 7.017 -6.705 -3.069 126 HA GLN 17 HA GLN 17 4.820 -8.321 -3.517 127 HB2 GLN 17 1HB GLN 17 6.325 -10.150 -3.681 128 HB3 GLN 17 2HB GLN 17 7.205 -8.733 -4.240 129 HG2 GLN 17 1HG GLN 17 8.158 -8.570 -1.905 130 HG3 GLN 17 2HG GLN 17 7.479 -10.171 -1.619 131 HE21 GLN 17 2HE2 GLN 17 9.961 -10.289 -1.231 132 HE22 GLN 17 1HE2 GLN 17 10.876 -10.874 -2.575 133 H LEU 18 H LEU 18 6.424 -7.569 -0.534 134 HA LEU 18 HA LEU 18 5.252 -9.743 0.947 135 HB2 LEU 18 1HB LEU 18 6.827 -7.302 1.700 136 HB3 LEU 18 2HB LEU 18 6.096 -8.341 2.922 137 HG LEU 18 HG LEU 18 7.971 -9.462 0.867 138 HD11 LEU 18 1HD1 LEU 18 9.731 -9.198 2.677 139 HD12 LEU 18 2HD1 LEU 18 8.658 -8.000 3.400 140 HD13 LEU 18 3HD1 LEU 18 9.296 -7.746 1.776 141 HD21 LEU 18 3HD2 LEU 18 7.211 -10.276 3.670 142 HD22 LEU 18 1HD2 LEU 18 8.364 -11.118 2.634 143 HD23 LEU 18 2HD2 LEU 18 6.663 -11.037 2.176 144 H ALA 19 H ALA 19 3.345 -9.779 1.956 145 HA ALA 19 HA ALA 19 1.572 -7.512 1.683 146 HB1 ALA 19 3HB ALA 19 0.085 -9.262 3.048 147 HB2 ALA 19 1HB ALA 19 0.323 -9.364 1.304 148 HB3 ALA 19 2HB ALA 19 1.285 -10.371 2.385 149 H ASN 20 H ASN 20 3.490 -9.002 4.166 150 HA ASN 20 HA ASN 20 2.132 -7.703 6.349 151 HB2 ASN 20 1HB ASN 20 4.818 -9.098 6.314 152 HB3 ASN 20 2HB ASN 20 3.893 -8.657 7.747 153 HD21 ASN 20 2HD2 ASN 20 2.403 -10.027 8.497 154 HD22 ASN 20 1HD2 ASN 20 1.931 -11.497 7.722 155 H GLN 21 H GLN 21 4.670 -6.931 4.158 156 HA GLN 21 HA GLN 21 5.860 -4.898 5.828 157 HB2 GLN 21 1HB GLN 21 7.284 -6.073 4.267 158 HB3 GLN 21 2HB GLN 21 6.255 -5.609 2.919 159 HG2 GLN 21 1HG GLN 21 8.188 -4.231 2.874 160 HG3 GLN 21 2HG GLN 21 6.827 -3.234 3.385 161 HE21 GLN 21 2HE2 GLN 21 8.730 -1.902 4.080 162 HE22 GLN 21 1HE2 GLN 21 9.329 -2.161 5.679 163 H CYS 22 H CYS 22 3.645 -5.043 3.086 164 HA CYS 22 HA CYS 22 3.497 -2.286 2.566 165 HB2 CYS 22 1HB CYS 22 2.182 -4.671 1.676 166 HB3 CYS 22 2HB CYS 22 0.966 -3.445 2.020 167 H ASN 23 H ASN 23 1.139 -4.323 4.311 168 HA ASN 23 HA ASN 23 -0.421 -2.225 5.288 169 HB2 ASN 23 1HB ASN 23 -1.587 -3.829 6.432 170 HB3 ASN 23 2HB ASN 23 -0.708 -4.878 5.324 171 HD21 ASN 23 2HD2 ASN 23 1.456 -5.619 6.155 172 HD22 ASN 23 1HD2 ASN 23 1.531 -6.086 7.816 173 H TYR 24 H TYR 24 2.565 -3.596 6.460 174 HA TYR 24 HA TYR 24 2.496 -2.518 9.072 175 HB2 TYR 24 1HB TYR 24 4.031 -4.289 8.634 176 HB3 TYR 24 2HB TYR 24 4.772 -3.407 7.302 177 HD1 TYR 24 HD1 TYR 24 4.169 -3.047 10.974 178 HD2 TYR 24 HD2 TYR 24 6.782 -2.338 7.691 179 HE1 TYR 24 HE1 TYR 24 5.857 -2.145 12.520 180 HE2 TYR 24 HE2 TYR 24 8.477 -1.435 9.228 181 HH TYR 24 HH TYR 24 9.092 -1.395 11.473 182 H ASP 25 H ASP 25 3.916 -1.340 6.042 183 HA ASP 25 HA ASP 25 4.890 1.082 7.233 184 HB2 ASP 25 1HB ASP 25 4.513 0.512 4.290 185 HB3 ASP 25 2HB ASP 25 5.599 1.691 5.023 186 H CYS 26 H CYS 26 2.021 0.094 5.487 187 HA CYS 26 HA CYS 26 1.027 2.695 4.945 188 HB2 CYS 26 1HB CYS 26 -0.262 -0.025 5.074 189 HB3 CYS 26 2HB CYS 26 -1.197 1.428 4.739 190 H LYS 27 H LYS 27 0.133 0.307 7.436 191 HA LYS 27 HA LYS 27 -1.618 2.041 8.825 192 HB2 LYS 27 1HB LYS 27 -0.168 -0.449 9.734 193 HB3 LYS 27 2HB LYS 27 -1.413 0.368 10.672 194 HG2 LYS 27 1HG LYS 27 -2.735 0.032 8.360 195 HG3 LYS 27 2HG LYS 27 -1.652 -1.360 8.297 196 HD2 LYS 27 1HD LYS 27 -3.415 -0.683 10.648 197 HD3 LYS 27 2HD LYS 27 -3.847 -1.830 9.378 198 HE2 LYS 27 1HE LYS 27 -2.166 -3.330 10.002 199 HE3 LYS 27 2HE LYS 27 -1.290 -2.107 10.920 200 HZ1 LYS 27 3HZ LYS 27 -2.299 -3.338 12.562 201 HZ2 LYS 27 1HZ LYS 27 -3.712 -3.601 11.669 202 HZ3 LYS 27 2HZ LYS 27 -3.418 -2.085 12.358 203 H LEU 28 H LEU 28 1.733 2.015 8.588 204 HA LEU 28 HA LEU 28 2.329 2.965 11.237 205 HB2 LEU 28 1HB LEU 28 3.788 2.083 8.946 206 HB3 LEU 28 2HB LEU 28 4.398 3.661 9.440 207 HG LEU 28 HG LEU 28 5.625 1.705 10.399 208 HD11 LEU 28 1HD1 LEU 28 4.294 3.388 12.507 209 HD12 LEU 28 2HD1 LEU 28 5.536 4.004 11.417 210 HD13 LEU 28 3HD1 LEU 28 5.914 2.690 12.533 211 HD21 LEU 28 3HD2 LEU 28 3.733 1.204 12.518 212 HD22 LEU 28 1HD2 LEU 28 4.578 0.063 11.470 213 HD23 LEU 28 2HD2 LEU 28 3.053 0.778 10.946 214 H ASP 29 H ASP 29 2.659 4.491 8.025 215 HA ASP 29 HA ASP 29 2.472 7.116 9.294 216 HB2 ASP 29 1HB ASP 29 4.285 6.645 7.643 217 HB3 ASP 29 2HB ASP 29 3.051 6.441 6.403 218 H LYS 30 H LYS 30 0.985 5.350 6.581 219 HA LYS 30 HA LYS 30 -1.065 7.283 6.172 220 HB2 LYS 30 1HB LYS 30 -1.195 4.392 5.333 221 HB3 LYS 30 2HB LYS 30 -1.958 5.780 4.567 222 HG2 LYS 30 1HG LYS 30 0.794 6.310 4.555 223 HG3 LYS 30 2HG LYS 30 0.614 4.620 4.079 224 HD2 LYS 30 1HD LYS 30 0.455 5.753 2.056 225 HD3 LYS 30 2HD LYS 30 -1.235 5.505 2.503 226 HE2 LYS 30 1HE LYS 30 -1.332 7.716 1.983 227 HE3 LYS 30 2HE LYS 30 -0.865 7.859 3.677 228 HZ1 LYS 30 3HZ LYS 30 1.428 7.583 2.043 229 HZ2 LYS 30 1HZ LYS 30 1.012 8.846 3.087 230 HZ3 LYS 30 2HZ LYS 30 0.476 8.865 1.483 231 H HIS 31 H HIS 31 -0.595 4.991 8.569 232 HA HIS 31 HA HIS 31 -1.915 4.042 10.168 233 HB2 HIS 31 1HB HIS 31 -3.325 6.644 9.604 234 HB3 HIS 31 2HB HIS 31 -3.895 5.538 10.851 235 HD1 HIS 31 HD1 HIS 31 -1.989 4.946 12.731 236 HD2 HIS 31 HD2 HIS 31 -1.425 8.378 10.458 237 HE1 HIS 31 HE1 HIS 31 -0.329 6.336 14.012 238 H ALA 32 H ALA 32 -2.452 3.334 7.355 239 HA ALA 32 HA ALA 32 -5.198 3.092 6.842 240 HB1 ALA 32 3HB ALA 32 -2.855 2.405 5.534 241 HB2 ALA 32 1HB ALA 32 -3.668 0.863 5.805 242 HB3 ALA 32 2HB ALA 32 -4.500 2.159 4.946 243 H ARG 33 H ARG 33 -5.683 0.413 6.358 244 HA ARG 33 HA ARG 33 -5.540 -0.843 9.012 245 HB2 ARG 33 1HB ARG 33 -7.908 -1.656 8.595 246 HB3 ARG 33 2HB ARG 33 -7.730 0.052 8.976 247 HG2 ARG 33 1HG ARG 33 -8.797 0.588 7.118 248 HG3 ARG 33 2HG ARG 33 -7.573 -0.245 6.158 249 HD2 ARG 33 1HD ARG 33 -8.934 -2.375 6.936 250 HD3 ARG 33 2HD ARG 33 -10.232 -1.192 7.095 251 HE ARG 33 HE ARG 33 -8.844 -1.101 4.571 252 HH11 ARG 33 1HH1 ARG 33 -11.464 -2.517 6.376 253 HH12 ARG 33 2HH1 ARG 33 -12.383 -2.931 4.967 254 HH21 ARG 33 1HH2 ARG 33 -10.046 -1.642 2.708 255 HH22 ARG 33 2HH2 ARG 33 -11.575 -2.434 2.882 256 H SER 34 H SER 34 -6.019 -1.225 5.543 257 HA SER 34 HA SER 34 -5.017 -3.981 5.783 258 HB2 SER 34 1HB SER 34 -7.220 -3.051 3.925 259 HB3 SER 34 2HB SER 34 -6.532 -4.674 3.971 260 HG SER 34 HG SER 34 -8.563 -4.209 5.208 261 H GLY 35 H GLY 35 -3.463 -1.685 5.266 262 HA2 GLY 35 1HA GLY 35 -3.019 -1.010 2.624 263 HA3 GLY 35 2HA GLY 35 -1.765 -1.051 3.856 264 H GLU 36 H GLU 36 -2.466 -2.124 0.883 265 HA GLU 36 HA GLU 36 -0.575 -4.330 1.114 266 HB2 GLU 36 1HB GLU 36 -3.153 -5.020 1.172 267 HB3 GLU 36 2HB GLU 36 -2.970 -4.866 -0.570 268 HG2 GLU 36 1HG GLU 36 -1.562 -6.652 -0.726 269 HG3 GLU 36 2HG GLU 36 -0.950 -6.454 0.916 270 H CYS 37 H CYS 37 0.038 -5.152 -1.116 271 HA CYS 37 HA CYS 37 0.283 -2.838 -2.908 272 HB2 CYS 37 1HB CYS 37 1.966 -5.323 -2.581 273 HB3 CYS 37 2HB CYS 37 2.182 -4.185 -3.907 274 H PHE 38 H PHE 38 -0.190 -2.983 -5.084 275 HA PHE 38 HA PHE 38 -1.005 -5.451 -6.299 276 HB2 PHE 38 1HB PHE 38 -3.021 -3.536 -5.253 277 HB3 PHE 38 2HB PHE 38 -3.321 -4.212 -6.851 278 HD1 PHE 38 HD1 PHE 38 -2.958 -6.845 -6.977 279 HD2 PHE 38 HD2 PHE 38 -3.875 -4.652 -3.445 280 HE1 PHE 38 HE1 PHE 38 -3.856 -8.889 -5.943 281 HE2 PHE 38 HE2 PHE 38 -4.773 -6.693 -2.407 282 HZ PHE 38 HZ PHE 38 -4.766 -8.815 -3.656 283 H TYR 39 H TYR 39 -1.825 -5.062 -8.564 284 HA TYR 39 HA TYR 39 -0.092 -3.149 -9.835 285 HB2 TYR 39 1HB TYR 39 -0.819 -4.149 -11.917 286 HB3 TYR 39 2HB TYR 39 -0.472 -5.425 -10.755 287 HD1 TYR 39 HD2 TYR 39 -3.098 -3.709 -12.644 288 HD2 TYR 39 HD1 TYR 39 -2.256 -6.800 -9.845 289 HE1 TYR 39 HE2 TYR 39 -5.342 -4.644 -13.013 290 HE2 TYR 39 HE1 TYR 39 -4.498 -7.746 -10.208 291 HH TYR 39 HH TYR 39 -6.252 -7.519 -12.442 292 H ASP 40 H ASP 40 -0.718 -1.449 -11.198 293 HA ASP 40 HA ASP 40 -3.386 -0.369 -10.598 294 HB2 ASP 40 1HB ASP 40 -2.345 1.823 -11.357 295 HB3 ASP 40 2HB ASP 40 -1.721 1.150 -9.853 296 H GLU 41 H GLU 41 -3.865 1.393 -12.505 297 HA GLU 41 HA GLU 41 -4.669 -0.161 -14.708 298 HB2 GLU 41 1HB GLU 41 -5.509 1.862 -15.652 299 HB3 GLU 41 2HB GLU 41 -5.748 1.967 -13.914 300 HG2 GLU 41 1HG GLU 41 -3.481 3.222 -13.932 301 HG3 GLU 41 2HG GLU 41 -3.819 3.442 -15.649 302 H LYS 42 H LYS 42 -1.725 1.452 -14.007 303 HA LYS 42 HA LYS 42 -0.869 1.447 -16.801 304 HB2 LYS 42 1HB LYS 42 0.630 2.379 -14.347 305 HB3 LYS 42 2HB LYS 42 1.093 2.652 -16.021 306 HG2 LYS 42 1HG LYS 42 -0.744 4.118 -16.376 307 HG3 LYS 42 2HG LYS 42 -1.462 3.689 -14.822 308 HD2 LYS 42 1HD LYS 42 0.583 4.634 -13.720 309 HD3 LYS 42 2HD LYS 42 1.088 5.224 -15.305 310 HE2 LYS 42 1HE LYS 42 -0.009 7.010 -14.141 311 HE3 LYS 42 2HE LYS 42 -1.054 6.475 -15.456 312 HZ1 LYS 42 3HZ LYS 42 -2.651 6.027 -14.009 313 HZ2 LYS 42 1HZ LYS 42 -1.698 6.678 -12.771 314 HZ3 LYS 42 2HZ LYS 42 -1.635 5.021 -13.104 315 H ARG 43 H ARG 43 -1.313 -1.001 -15.097 316 HA ARG 43 HA ARG 43 -0.335 -3.016 -14.680 317 HB2 ARG 43 1HB ARG 43 1.225 -2.049 -17.069 318 HB3 ARG 43 2HB ARG 43 1.488 -3.640 -16.366 319 HG2 ARG 43 1HG ARG 43 -0.008 -4.126 -18.031 320 HG3 ARG 43 2HG ARG 43 -1.093 -3.881 -16.661 321 HD2 ARG 43 1HD ARG 43 -1.627 -1.669 -17.389 322 HD3 ARG 43 2HD ARG 43 -0.370 -1.715 -18.625 323 HE ARG 43 HE ARG 43 -1.994 -3.785 -19.288 324 HH11 ARG 43 1HH1 ARG 43 -2.525 -0.402 -18.663 325 HH12 ARG 43 2HH1 ARG 43 -3.879 -0.282 -19.737 326 HH21 ARG 43 1HH2 ARG 43 -3.775 -3.641 -20.705 327 HH22 ARG 43 2HH2 ARG 43 -4.590 -2.126 -20.897 328 H ASN 44 H ASN 44 0.687 -0.681 -13.231 329 HA ASN 44 HA ASN 44 3.462 -1.527 -12.741 330 HB2 ASN 44 1HB ASN 44 2.048 1.089 -12.517 331 HB3 ASN 44 2HB ASN 44 3.361 0.764 -11.389 332 HD21 ASN 44 2HD2 ASN 44 5.226 1.531 -12.029 333 HD22 ASN 44 1HD2 ASN 44 5.769 1.678 -13.663 334 H LEU 45 H LEU 45 4.109 -2.180 -10.740 335 HA LEU 45 HA LEU 45 1.988 -2.821 -8.849 336 HB2 LEU 45 1HB LEU 45 4.870 -3.529 -8.477 337 HB3 LEU 45 2HB LEU 45 3.435 -4.380 -7.911 338 HG LEU 45 HG LEU 45 4.462 -4.289 -10.746 339 HD11 LEU 45 1HD1 LEU 45 5.128 -6.508 -10.463 340 HD12 LEU 45 2HD1 LEU 45 4.194 -6.697 -8.979 341 HD13 LEU 45 3HD1 LEU 45 5.655 -5.708 -8.982 342 HD21 LEU 45 3HD2 LEU 45 2.325 -4.661 -11.291 343 HD22 LEU 45 1HD2 LEU 45 1.860 -4.989 -9.621 344 HD23 LEU 45 2HD2 LEU 45 2.573 -6.268 -10.605 345 H GLN 46 H GLN 46 1.613 -1.706 -7.051 346 HA GLN 46 HA GLN 46 3.765 -0.192 -5.792 347 HB2 GLN 46 1HB GLN 46 1.120 1.105 -6.458 348 HB3 GLN 46 2HB GLN 46 2.511 1.864 -5.694 349 HG2 GLN 46 1HG GLN 46 2.514 0.760 -8.492 350 HG3 GLN 46 2HG GLN 46 2.208 2.447 -8.087 351 HE21 GLN 46 2HE2 GLN 46 4.153 2.305 -9.706 352 HE22 GLN 46 1HE2 GLN 46 5.707 2.392 -8.957 353 H CYS 47 H CYS 47 2.810 0.906 -3.717 354 HA CYS 47 HA CYS 47 1.253 -1.170 -2.340 355 HB2 CYS 47 1HB CYS 47 3.600 -0.477 -1.552 356 HB3 CYS 47 2HB CYS 47 2.839 1.012 -0.999 357 H ILE 48 H ILE 48 -0.842 -0.714 -2.219 358 HA ILE 48 HA ILE 48 -1.694 2.080 -1.966 359 HB ILE 48 HB ILE 48 -3.398 -0.351 -2.514 360 HG12 ILE 48 1HG1 ILE 48 -3.434 1.002 -4.833 361 HG13 ILE 48 2HG1 ILE 48 -1.819 1.435 -4.286 362 HG21 ILE 48 1HG2 ILE 48 -5.178 0.986 -2.425 363 HG22 ILE 48 2HG2 ILE 48 -4.127 2.176 -1.659 364 HG23 ILE 48 3HG2 ILE 48 -4.389 2.223 -3.402 365 HD11 ILE 48 3HD1 ILE 48 -2.595 -0.878 -5.628 366 HD12 ILE 48 1HD1 ILE 48 -1.025 -0.534 -4.900 367 HD13 ILE 48 2HD1 ILE 48 -2.262 -1.384 -3.972 368 H CYS 49 H CYS 49 -2.466 2.866 -0.117 369 HA CYS 49 HA CYS 49 -3.029 0.971 2.064 370 HB2 CYS 49 1HB CYS 49 -2.425 3.904 2.407 371 HB3 CYS 49 2HB CYS 49 -2.344 2.625 3.616 372 H ASP 50 H ASP 50 -4.969 0.971 3.057 373 HA ASP 50 HA ASP 50 -6.947 2.950 2.133 374 HB2 ASP 50 1HB ASP 50 -7.707 0.258 3.220 375 HB3 ASP 50 2HB ASP 50 -8.614 1.315 2.142 376 H TYR 51 H TYR 51 -7.700 4.293 3.623 377 HA TYR 51 HA TYR 51 -7.462 3.518 6.456 378 HB2 TYR 51 1HB TYR 51 -6.045 5.425 5.876 379 HB3 TYR 51 2HB TYR 51 -7.436 6.281 5.221 380 HD1 TYR 51 HD2 TYR 51 -6.914 4.389 8.403 381 HD2 TYR 51 HD1 TYR 51 -7.907 8.097 6.566 382 HE1 TYR 51 HE2 TYR 51 -7.353 5.362 10.619 383 HE2 TYR 51 HE1 TYR 51 -8.348 9.080 8.778 384 HH TYR 51 HH TYR 51 -9.064 7.794 11.254 385 H CYS 52 H CYS 52 -9.347 2.970 7.307 386 HA CYS 52 HA CYS 52 -11.743 4.495 6.519 387 HB2 CYS 52 1HB CYS 52 -11.613 2.066 5.717 388 HB3 CYS 52 2HB CYS 52 -11.803 1.616 7.409 389 H GLU 53 H GLU 53 -13.050 5.231 8.122 390 HA GLU 53 HA GLU 53 -12.021 5.004 10.840 391 HB2 GLU 53 1HB GLU 53 -12.827 7.178 9.554 392 HB3 GLU 53 2HB GLU 53 -14.397 6.676 10.165 393 HG2 GLU 53 1HG GLU 53 -11.947 7.388 11.748 394 HG3 GLU 53 2HG GLU 53 -13.500 8.222 11.714 395 H TYR 54 H TYR 54 -12.685 3.134 11.749 396 HA TYR 54 HA TYR 54 -15.468 2.299 11.457 397 HB2 TYR 54 1HB TYR 54 -13.433 0.726 11.257 398 HB3 TYR 54 2HB TYR 54 -13.353 0.825 13.012 399 HD1 TYR 54 HD1 TYR 54 -15.932 0.222 10.366 400 HD2 TYR 54 HD2 TYR 54 -14.396 -0.858 14.185 401 HE1 TYR 54 HE1 TYR 54 -17.624 -1.554 10.537 402 HE2 TYR 54 HE2 TYR 54 -16.083 -2.638 14.366 403 HH TYR 54 HH TYR 54 -18.695 -2.933 12.092 Start of MODEL 6 1 H1 ASP 2 H ASP 2 -17.441 2.631 1.347 2 HA ASP 2 HA ASP 2 -16.749 4.980 1.383 3 HB2 ASP 2 1HB ASP 2 -17.964 3.940 3.942 4 HB3 ASP 2 2HB ASP 2 -17.788 5.658 3.600 5 H CYS 3 H CYS 3 -14.325 3.664 1.723 6 HA CYS 3 HA CYS 3 -13.160 5.050 4.049 7 HB2 CYS 3 1HB CYS 3 -11.891 2.725 2.609 8 HB3 CYS 3 2HB CYS 3 -11.497 3.367 4.200 9 H LYS 4 H LYS 4 -10.723 5.491 3.657 10 HA LYS 4 HA LYS 4 -10.454 6.721 0.993 11 HB2 LYS 4 1HB LYS 4 -10.490 8.520 2.470 12 HB3 LYS 4 2HB LYS 4 -9.625 7.637 3.722 13 HG2 LYS 4 1HG LYS 4 -7.582 8.107 2.841 14 HG3 LYS 4 2HG LYS 4 -8.189 8.185 1.187 15 HD2 LYS 4 1HD LYS 4 -8.825 10.254 3.281 16 HD3 LYS 4 2HD LYS 4 -7.450 10.381 2.182 17 HE2 LYS 4 1HE LYS 4 -9.175 10.057 0.309 18 HE3 LYS 4 2HE LYS 4 -10.383 10.418 1.541 19 HZ1 LYS 4 3HZ LYS 4 -8.770 12.450 1.934 20 HZ2 LYS 4 1HZ LYS 4 -9.998 12.500 0.771 21 HZ3 LYS 4 2HZ LYS 4 -8.404 12.175 0.306 22 H ARG 5 H ARG 5 -8.939 5.885 -0.271 23 HA ARG 5 HA ARG 5 -6.587 4.632 0.983 24 HB2 ARG 5 1HB ARG 5 -6.606 2.975 -0.884 25 HB3 ARG 5 2HB ARG 5 -7.979 2.835 0.206 26 HG2 ARG 5 1HG ARG 5 -8.990 2.628 -1.842 27 HG3 ARG 5 2HG ARG 5 -9.167 4.359 -1.538 28 HD2 ARG 5 1HD ARG 5 -7.617 4.935 -3.121 29 HD3 ARG 5 2HD ARG 5 -6.730 3.419 -2.959 30 HE ARG 5 HE ARG 5 -9.346 3.082 -4.084 31 HH11 ARG 5 1HH1 ARG 5 -6.029 3.880 -4.781 32 HH12 ARG 5 2HH1 ARG 5 -6.124 3.394 -6.441 33 HH21 ARG 5 1HH2 ARG 5 -9.483 2.438 -6.269 34 HH22 ARG 5 2HH2 ARG 5 -8.090 2.574 -7.286 35 H LYS 6 H LYS 6 -4.682 4.544 -0.407 36 HA LYS 6 HA LYS 6 -4.582 6.105 -2.805 37 HB2 LYS 6 1HB LYS 6 -4.656 7.901 -1.114 38 HB3 LYS 6 2HB LYS 6 -3.235 7.216 -0.336 39 HG2 LYS 6 1HG LYS 6 -1.819 8.044 -1.883 40 HG3 LYS 6 2HG LYS 6 -2.968 7.833 -3.207 41 HD2 LYS 6 1HD LYS 6 -3.568 9.881 -1.134 42 HD3 LYS 6 2HD LYS 6 -2.302 10.233 -2.312 43 HE2 LYS 6 1HE LYS 6 -4.133 11.065 -3.409 44 HE3 LYS 6 2HE LYS 6 -4.114 9.413 -4.026 45 HZ1 LYS 6 3HZ LYS 6 -5.992 8.888 -2.931 46 HZ2 LYS 6 1HZ LYS 6 -6.266 10.557 -2.975 47 HZ3 LYS 6 2HZ LYS 6 -5.626 9.842 -1.582 48 H VAL 7 H VAL 7 -2.663 5.827 -3.939 49 HA VAL 7 HA VAL 7 -0.958 3.679 -2.918 50 HB VAL 7 HB VAL 7 -1.923 3.363 -5.145 51 HG11 VAL 7 1HG1 VAL 7 -1.506 6.043 -5.490 52 HG12 VAL 7 2HG1 VAL 7 -0.234 5.336 -6.487 53 HG13 VAL 7 3HG1 VAL 7 -1.920 4.904 -6.770 54 HG21 VAL 7 3HG2 VAL 7 0.733 3.629 -6.139 55 HG22 VAL 7 1HG2 VAL 7 0.810 3.146 -4.445 56 HG23 VAL 7 2HG2 VAL 7 -0.103 2.173 -5.597 57 H TYR 8 H TYR 8 1.144 3.938 -2.429 58 HA TYR 8 HA TYR 8 2.271 6.637 -2.733 59 HB2 TYR 8 1HB TYR 8 2.135 4.875 -0.518 60 HB3 TYR 8 2HB TYR 8 3.829 4.987 -0.982 61 HD1 TYR 8 HD2 TYR 8 4.106 7.739 -1.873 62 HD2 TYR 8 HD1 TYR 8 1.863 6.171 1.384 63 HE1 TYR 8 HE2 TYR 8 4.285 9.902 -0.717 64 HE2 TYR 8 HE1 TYR 8 2.035 8.331 2.549 65 HH TYR 8 HH TYR 8 3.931 10.396 2.326 66 H GLU 9 H GLU 9 3.089 6.421 -4.816 67 HA GLU 9 HA GLU 9 4.678 4.238 -5.675 68 HB2 GLU 9 1HB GLU 9 5.233 5.622 -7.592 69 HB3 GLU 9 2HB GLU 9 3.518 5.762 -7.229 70 HG2 GLU 9 1HG GLU 9 3.753 7.922 -6.376 71 HG3 GLU 9 2HG GLU 9 5.500 7.758 -6.200 72 H ASN 10 H ASN 10 5.331 6.881 -3.640 73 HA ASN 10 HA ASN 10 8.043 7.363 -4.168 74 HB2 ASN 10 1HB ASN 10 6.164 7.899 -1.963 75 HB3 ASN 10 2HB ASN 10 7.854 7.796 -1.477 76 HD21 ASN 10 2HD2 ASN 10 6.306 9.027 -4.415 77 HD22 ASN 10 1HD2 ASN 10 6.971 10.619 -4.305 78 H TYR 11 H TYR 11 6.477 4.671 -2.753 79 HA TYR 11 HA TYR 11 8.914 3.728 -1.446 80 HB2 TYR 11 1HB TYR 11 6.034 2.948 -1.356 81 HB3 TYR 11 2HB TYR 11 7.241 1.730 -0.963 82 HD1 TYR 11 HD1 TYR 11 9.249 3.094 0.544 83 HD2 TYR 11 HD2 TYR 11 5.040 3.709 0.582 84 HE1 TYR 11 HE1 TYR 11 9.406 3.983 2.832 85 HE2 TYR 11 HE2 TYR 11 5.184 4.600 2.869 86 HH TYR 11 HH TYR 11 6.818 5.612 4.350 87 HA PRO 12 HA PRO 12 10.134 1.039 -4.696 88 HB2 PRO 12 1HB PRO 12 11.240 -1.000 -3.287 89 HB3 PRO 12 2HB PRO 12 12.007 0.584 -3.447 90 HG2 PRO 12 1HG PRO 12 10.390 -0.516 -1.181 91 HG3 PRO 12 2HG PRO 12 11.894 0.422 -1.130 92 HD2 PRO 12 1HD PRO 12 9.467 1.535 -0.682 93 HD3 PRO 12 2HD PRO 12 10.802 2.427 -1.441 94 H VAL 13 H VAL 13 9.445 -0.721 -5.861 95 HA VAL 13 HA VAL 13 6.920 -1.834 -5.206 96 HB VAL 13 HB VAL 13 8.859 -2.805 -7.309 97 HG11 VAL 13 1HG1 VAL 13 6.118 -3.511 -6.561 98 HG12 VAL 13 2HG1 VAL 13 6.333 -3.163 -8.278 99 HG13 VAL 13 3HG1 VAL 13 7.308 -4.411 -7.501 100 HG21 VAL 13 3HG2 VAL 13 6.909 -0.530 -7.287 101 HG22 VAL 13 1HG2 VAL 13 8.579 -0.562 -7.852 102 HG23 VAL 13 2HG2 VAL 13 7.315 -1.355 -8.792 103 H SER 14 H SER 14 10.093 -2.692 -4.348 104 HA SER 14 HA SER 14 9.979 -5.473 -4.207 105 HB2 SER 14 1HB SER 14 11.500 -3.388 -2.674 106 HB3 SER 14 2HB SER 14 11.607 -5.084 -2.201 107 HG SER 14 HG SER 14 12.278 -3.940 -4.707 108 H LYS 15 H LYS 15 8.715 -3.019 -2.042 109 HA LYS 15 HA LYS 15 8.151 -4.624 0.180 110 HB2 LYS 15 1HB LYS 15 6.457 -2.304 -0.741 111 HB3 LYS 15 2HB LYS 15 6.691 -2.880 0.905 112 HG2 LYS 15 1HG LYS 15 8.711 -1.496 -0.843 113 HG3 LYS 15 2HG LYS 15 7.937 -0.863 0.611 114 HD2 LYS 15 1HD LYS 15 8.998 -3.021 1.697 115 HD3 LYS 15 2HD LYS 15 10.108 -2.885 0.332 116 HE2 LYS 15 1HE LYS 15 10.271 -0.391 1.079 117 HE3 LYS 15 2HE LYS 15 9.661 -1.006 2.614 118 HZ1 LYS 15 3HZ LYS 15 12.210 -0.891 2.140 119 HZ2 LYS 15 1HZ LYS 15 11.935 -2.366 1.358 120 HZ3 LYS 15 2HZ LYS 15 11.556 -2.195 2.998 121 H CYS 16 H CYS 16 6.394 -4.110 -2.815 122 HA CYS 16 HA CYS 16 3.921 -5.180 -2.136 123 HB2 CYS 16 1HB CYS 16 4.287 -4.059 -4.259 124 HB3 CYS 16 2HB CYS 16 5.407 -5.321 -4.766 125 H GLN 17 H GLN 17 6.962 -6.753 -2.675 126 HA GLN 17 HA GLN 17 6.043 -9.350 -3.247 127 HB2 GLN 17 1HB GLN 17 8.578 -8.618 -1.777 128 HB3 GLN 17 2HB GLN 17 8.266 -10.096 -2.678 129 HG2 GLN 17 1HG GLN 17 8.349 -7.350 -3.904 130 HG3 GLN 17 2HG GLN 17 9.715 -8.462 -3.854 131 HE21 GLN 17 2HE2 GLN 17 9.488 -10.502 -4.955 132 HE22 GLN 17 1HE2 GLN 17 8.461 -10.618 -6.339 133 H LEU 18 H LEU 18 6.081 -7.524 -0.341 134 HA LEU 18 HA LEU 18 5.418 -9.942 1.207 135 HB2 LEU 18 1HB LEU 18 6.451 -7.335 2.302 136 HB3 LEU 18 2HB LEU 18 6.230 -8.849 3.176 137 HG LEU 18 HG LEU 18 8.206 -8.527 0.927 138 HD11 LEU 18 1HD1 LEU 18 9.836 -8.531 2.956 139 HD12 LEU 18 2HD1 LEU 18 8.446 -7.890 3.834 140 HD13 LEU 18 3HD1 LEU 18 9.082 -7.023 2.435 141 HD21 LEU 18 3HD2 LEU 18 7.228 -10.756 2.319 142 HD22 LEU 18 1HD2 LEU 18 8.845 -10.453 2.956 143 HD23 LEU 18 2HD2 LEU 18 8.609 -10.689 1.224 144 H ALA 19 H ALA 19 3.519 -10.019 2.283 145 HA ALA 19 HA ALA 19 1.604 -7.896 1.749 146 HB1 ALA 19 3HB ALA 19 1.424 -10.731 2.631 147 HB2 ALA 19 1HB ALA 19 0.096 -9.638 3.020 148 HB3 ALA 19 2HB ALA 19 0.567 -9.893 1.339 149 H ASN 20 H ASN 20 3.500 -9.130 4.368 150 HA ASN 20 HA ASN 20 1.928 -7.788 6.403 151 HB2 ASN 20 1HB ASN 20 4.452 -9.437 6.480 152 HB3 ASN 20 2HB ASN 20 3.837 -8.597 7.902 153 HD21 ASN 20 2HD2 ASN 20 1.674 -9.141 8.616 154 HD22 ASN 20 1HD2 ASN 20 1.082 -10.745 8.366 155 H GLN 21 H GLN 21 4.633 -7.136 4.387 156 HA GLN 21 HA GLN 21 5.756 -5.074 6.054 157 HB2 GLN 21 1HB GLN 21 7.046 -6.481 4.383 158 HB3 GLN 21 2HB GLN 21 6.284 -5.526 3.119 159 HG2 GLN 21 1HG GLN 21 8.142 -4.286 3.320 160 HG3 GLN 21 2HG GLN 21 7.251 -3.551 4.651 161 HE21 GLN 21 2HE2 GLN 21 8.639 -3.148 6.217 162 HE22 GLN 21 1HE2 GLN 21 9.824 -4.245 6.829 163 H CYS 22 H CYS 22 3.694 -5.230 3.189 164 HA CYS 22 HA CYS 22 3.599 -2.489 2.618 165 HB2 CYS 22 1HB CYS 22 2.350 -4.850 1.670 166 HB3 CYS 22 2HB CYS 22 1.066 -3.704 2.042 167 H ASN 23 H ASN 23 1.105 -4.429 4.281 168 HA ASN 23 HA ASN 23 -0.439 -2.283 5.157 169 HB2 ASN 23 1HB ASN 23 -1.641 -3.822 6.410 170 HB3 ASN 23 2HB ASN 23 -0.891 -4.861 5.201 171 HD21 ASN 23 2HD2 ASN 23 -1.583 -4.628 8.363 172 HD22 ASN 23 1HD2 ASN 23 -0.337 -5.627 9.025 173 H TYR 24 H TYR 24 2.444 -3.721 6.516 174 HA TYR 24 HA TYR 24 2.305 -2.608 9.093 175 HB2 TYR 24 1HB TYR 24 3.870 -4.359 8.725 176 HB3 TYR 24 2HB TYR 24 4.631 -3.500 7.392 177 HD1 TYR 24 HD1 TYR 24 3.762 -2.445 10.871 178 HD2 TYR 24 HD2 TYR 24 6.821 -3.042 7.974 179 HE1 TYR 24 HE1 TYR 24 5.415 -1.505 12.431 180 HE2 TYR 24 HE2 TYR 24 8.482 -2.104 9.527 181 HH TYR 24 HH TYR 24 7.933 -1.692 12.779 182 H ASP 25 H ASP 25 3.948 -1.449 6.158 183 HA ASP 25 HA ASP 25 4.816 0.987 7.369 184 HB2 ASP 25 1HB ASP 25 4.771 -0.079 4.563 185 HB3 ASP 25 2HB ASP 25 5.162 1.613 4.860 186 H CYS 26 H CYS 26 1.987 -0.030 5.601 187 HA CYS 26 HA CYS 26 1.016 2.562 4.960 188 HB2 CYS 26 1HB CYS 26 -0.235 -0.170 5.092 189 HB3 CYS 26 2HB CYS 26 -1.218 1.260 4.789 190 H LYS 27 H LYS 27 0.438 0.334 7.646 191 HA LYS 27 HA LYS 27 -1.461 2.081 8.919 192 HB2 LYS 27 1HB LYS 27 -0.017 -0.333 10.032 193 HB3 LYS 27 2HB LYS 27 -1.416 0.457 10.747 194 HG2 LYS 27 1HG LYS 27 -2.867 -0.382 9.174 195 HG3 LYS 27 2HG LYS 27 -1.598 -0.600 7.965 196 HD2 LYS 27 1HD LYS 27 -2.262 -2.765 8.746 197 HD3 LYS 27 2HD LYS 27 -0.655 -2.420 9.390 198 HE2 LYS 27 1HE LYS 27 -1.850 -1.587 11.479 199 HE3 LYS 27 2HE LYS 27 -3.298 -2.348 10.821 200 HZ1 LYS 27 3HZ LYS 27 -2.523 -4.097 11.984 201 HZ2 LYS 27 1HZ LYS 27 -0.917 -3.566 11.959 202 HZ3 LYS 27 2HZ LYS 27 -1.570 -4.348 10.610 203 H LEU 28 H LEU 28 1.875 2.063 8.661 204 HA LEU 28 HA LEU 28 2.488 3.051 11.296 205 HB2 LEU 28 1HB LEU 28 3.998 1.774 9.584 206 HB3 LEU 28 2HB LEU 28 4.302 3.390 8.949 207 HG LEU 28 HG LEU 28 6.067 2.664 10.477 208 HD11 LEU 28 1HD1 LEU 28 6.316 4.695 11.491 209 HD12 LEU 28 2HD1 LEU 28 4.629 4.779 11.995 210 HD13 LEU 28 3HD1 LEU 28 5.063 5.090 10.315 211 HD21 LEU 28 3HD2 LEU 28 4.501 1.243 11.872 212 HD22 LEU 28 1HD2 LEU 28 4.022 2.735 12.681 213 HD23 LEU 28 2HD2 LEU 28 5.697 2.189 12.758 214 H ASP 29 H ASP 29 2.796 4.508 8.051 215 HA ASP 29 HA ASP 29 2.644 7.160 9.262 216 HB2 ASP 29 1HB ASP 29 3.603 6.077 6.658 217 HB3 ASP 29 2HB ASP 29 3.010 7.734 6.685 218 H LYS 30 H LYS 30 1.096 5.352 6.613 219 HA LYS 30 HA LYS 30 -0.955 7.289 6.216 220 HB2 LYS 30 1HB LYS 30 -0.272 4.625 5.149 221 HB3 LYS 30 2HB LYS 30 -1.986 5.019 5.129 222 HG2 LYS 30 1HG LYS 30 0.044 6.927 4.036 223 HG3 LYS 30 2HG LYS 30 -0.564 5.582 3.067 224 HD2 LYS 30 1HD LYS 30 -2.686 7.071 4.396 225 HD3 LYS 30 2HD LYS 30 -1.727 8.074 3.306 226 HE2 LYS 30 1HE LYS 30 -3.032 7.271 1.680 227 HE3 LYS 30 2HE LYS 30 -2.107 5.780 1.845 228 HZ1 LYS 30 3HZ LYS 30 -3.756 4.952 3.385 229 HZ2 LYS 30 1HZ LYS 30 -4.501 5.392 1.932 230 HZ3 LYS 30 2HZ LYS 30 -4.630 6.396 3.286 231 H HIS 31 H HIS 31 -0.445 5.026 8.629 232 HA HIS 31 HA HIS 31 -1.737 4.099 10.264 233 HB2 HIS 31 1HB HIS 31 -3.216 6.662 9.681 234 HB3 HIS 31 2HB HIS 31 -3.680 5.585 10.995 235 HD1 HIS 31 HD1 HIS 31 -1.766 8.502 10.431 236 HD2 HIS 31 HD2 HIS 31 -1.220 5.086 12.732 237 HE1 HIS 31 HE1 HIS 31 -0.058 9.127 12.167 238 H ALA 32 H ALA 32 -2.312 3.343 7.471 239 HA ALA 32 HA ALA 32 -5.063 3.082 7.000 240 HB1 ALA 32 3HB ALA 32 -2.732 2.374 5.677 241 HB2 ALA 32 1HB ALA 32 -3.543 0.838 5.982 242 HB3 ALA 32 2HB ALA 32 -4.383 2.121 5.111 243 H ARG 33 H ARG 33 -5.547 0.394 6.572 244 HA ARG 33 HA ARG 33 -5.380 -0.803 9.253 245 HB2 ARG 33 1HB ARG 33 -7.620 0.298 8.757 246 HB3 ARG 33 2HB ARG 33 -7.852 -0.941 7.532 247 HG2 ARG 33 1HG ARG 33 -8.912 -1.963 9.245 248 HG3 ARG 33 2HG ARG 33 -7.273 -2.522 9.592 249 HD2 ARG 33 1HD ARG 33 -6.970 -0.802 11.235 250 HD3 ARG 33 2HD ARG 33 -8.503 -0.048 10.795 251 HE ARG 33 HE ARG 33 -9.079 -2.647 11.564 252 HH11 ARG 33 1HH1 ARG 33 -7.732 0.227 12.993 253 HH12 ARG 33 2HH1 ARG 33 -8.293 -0.147 14.590 254 HH21 ARG 33 1HH2 ARG 33 -9.822 -3.151 13.661 255 HH22 ARG 33 2HH2 ARG 33 -9.481 -2.070 14.968 256 H SER 34 H SER 34 -5.910 -1.295 5.798 257 HA SER 34 HA SER 34 -4.776 -3.991 6.084 258 HB2 SER 34 1HB SER 34 -7.194 -3.240 4.424 259 HB3 SER 34 2HB SER 34 -6.366 -4.794 4.334 260 HG SER 34 HG SER 34 -6.789 -4.793 6.739 261 H GLY 35 H GLY 35 -3.379 -1.660 5.374 262 HA2 GLY 35 1HA GLY 35 -3.146 -1.022 2.709 263 HA3 GLY 35 2HA GLY 35 -1.792 -1.038 3.830 264 H GLU 36 H GLU 36 -2.556 -2.036 0.910 265 HA GLU 36 HA GLU 36 -0.695 -4.265 1.017 266 HB2 GLU 36 1HB GLU 36 -3.242 -4.989 1.228 267 HB3 GLU 36 2HB GLU 36 -3.201 -4.776 -0.516 268 HG2 GLU 36 1HG GLU 36 -1.755 -6.525 -0.838 269 HG3 GLU 36 2HG GLU 36 -1.081 -6.408 0.787 270 H CYS 37 H CYS 37 -0.308 -5.103 -1.300 271 HA CYS 37 HA CYS 37 -0.073 -2.749 -3.039 272 HB2 CYS 37 1HB CYS 37 1.828 -3.746 -4.014 273 HB3 CYS 37 2HB CYS 37 1.981 -4.083 -2.293 274 H PHE 38 H PHE 38 -0.362 -3.030 -5.347 275 HA PHE 38 HA PHE 38 -1.612 -5.353 -6.415 276 HB2 PHE 38 1HB PHE 38 -3.311 -3.205 -5.327 277 HB3 PHE 38 2HB PHE 38 -3.713 -3.701 -6.969 278 HD1 PHE 38 HD1 PHE 38 -3.656 -6.395 -7.239 279 HD2 PHE 38 HD2 PHE 38 -4.468 -4.245 -3.656 280 HE1 PHE 38 HE1 PHE 38 -4.877 -8.339 -6.353 281 HE2 PHE 38 HE2 PHE 38 -5.690 -6.186 -2.764 282 HZ PHE 38 HZ PHE 38 -5.897 -8.236 -4.113 283 H TYR 39 H TYR 39 -2.324 -5.007 -8.687 284 HA TYR 39 HA TYR 39 -0.392 -3.391 -10.056 285 HB2 TYR 39 1HB TYR 39 -1.176 -4.421 -12.055 286 HB3 TYR 39 2HB TYR 39 -1.212 -5.666 -10.811 287 HD1 TYR 39 HD1 TYR 39 -3.387 -6.365 -9.830 288 HD2 TYR 39 HD2 TYR 39 -3.173 -3.691 -13.133 289 HE1 TYR 39 HE1 TYR 39 -5.757 -6.795 -10.325 290 HE2 TYR 39 HE2 TYR 39 -5.542 -4.112 -13.635 291 HH TYR 39 HH TYR 39 -7.304 -6.654 -12.192 292 H ASP 40 H ASP 40 -0.680 -1.525 -11.177 293 HA ASP 40 HA ASP 40 -3.226 -0.137 -10.749 294 HB2 ASP 40 1HB ASP 40 -1.871 1.896 -11.455 295 HB3 ASP 40 2HB ASP 40 -1.405 1.143 -9.932 296 H GLU 41 H GLU 41 -3.395 1.679 -12.657 297 HA GLU 41 HA GLU 41 -4.320 0.255 -14.899 298 HB2 GLU 41 1HB GLU 41 -4.834 2.382 -15.863 299 HB3 GLU 41 2HB GLU 41 -5.141 2.498 -14.136 300 HG2 GLU 41 1HG GLU 41 -2.879 3.545 -13.898 301 HG3 GLU 41 2HG GLU 41 -2.795 3.598 -15.657 302 H LYS 42 H LYS 42 -1.216 1.480 -14.087 303 HA LYS 42 HA LYS 42 -0.270 1.347 -16.848 304 HB2 LYS 42 1HB LYS 42 1.220 2.121 -14.333 305 HB3 LYS 42 2HB LYS 42 1.816 2.280 -15.981 306 HG2 LYS 42 1HG LYS 42 -0.572 3.725 -14.846 307 HG3 LYS 42 2HG LYS 42 1.041 4.412 -15.058 308 HD2 LYS 42 1HD LYS 42 -0.662 3.303 -17.290 309 HD3 LYS 42 2HD LYS 42 -0.539 5.014 -16.876 310 HE2 LYS 42 1HE LYS 42 2.039 4.546 -17.129 311 HE3 LYS 42 2HE LYS 42 1.474 3.205 -18.124 312 HZ1 LYS 42 3HZ LYS 42 0.346 4.710 -19.560 313 HZ2 LYS 42 1HZ LYS 42 1.925 5.286 -19.369 314 HZ3 LYS 42 2HZ LYS 42 0.650 6.025 -18.540 315 H ARG 43 H ARG 43 -1.081 -1.015 -15.169 316 HA ARG 43 HA ARG 43 -0.377 -3.133 -14.704 317 HB2 ARG 43 1HB ARG 43 1.486 -2.448 -16.981 318 HB3 ARG 43 2HB ARG 43 1.287 -4.068 -16.327 319 HG2 ARG 43 1HG ARG 43 -0.130 -4.135 -18.122 320 HG3 ARG 43 2HG ARG 43 -1.238 -3.650 -16.838 321 HD2 ARG 43 1HD ARG 43 -1.184 -1.381 -17.529 322 HD3 ARG 43 2HD ARG 43 0.177 -1.675 -18.611 323 HE ARG 43 HE ARG 43 -1.796 -3.301 -19.553 324 HH11 ARG 43 1HH1 ARG 43 -1.533 0.106 -18.890 325 HH12 ARG 43 2HH1 ARG 43 -2.655 0.566 -20.127 326 HH21 ARG 43 1HH2 ARG 43 -3.275 -2.707 -21.186 327 HH22 ARG 43 2HH2 ARG 43 -3.646 -1.034 -21.431 328 H ASN 44 H ASN 44 0.872 -0.947 -13.215 329 HA ASN 44 HA ASN 44 3.503 -2.129 -12.630 330 HB2 ASN 44 1HB ASN 44 2.433 0.647 -12.498 331 HB3 ASN 44 2HB ASN 44 3.621 0.179 -11.284 332 HD21 ASN 44 2HD2 ASN 44 3.980 2.149 -13.281 333 HD22 ASN 44 1HD2 ASN 44 5.268 1.627 -14.309 334 H LEU 45 H LEU 45 4.075 -2.621 -10.511 335 HA LEU 45 HA LEU 45 1.797 -3.009 -8.708 336 HB2 LEU 45 1HB LEU 45 4.546 -4.165 -8.367 337 HB3 LEU 45 2HB LEU 45 3.030 -4.720 -7.659 338 HG LEU 45 HG LEU 45 3.735 -4.909 -10.587 339 HD11 LEU 45 1HD1 LEU 45 5.179 -6.413 -9.542 340 HD12 LEU 45 2HD1 LEU 45 3.787 -7.397 -9.989 341 HD13 LEU 45 3HD1 LEU 45 3.986 -6.857 -8.323 342 HD21 LEU 45 3HD2 LEU 45 1.572 -5.311 -10.876 343 HD22 LEU 45 1HD2 LEU 45 1.274 -5.176 -9.143 344 HD23 LEU 45 2HD2 LEU 45 1.732 -6.730 -9.840 345 H GLN 46 H GLN 46 1.525 -1.651 -7.077 346 HA GLN 46 HA GLN 46 3.892 -0.469 -5.802 347 HB2 GLN 46 1HB GLN 46 1.356 1.064 -6.389 348 HB3 GLN 46 2HB GLN 46 2.830 1.695 -5.667 349 HG2 GLN 46 1HG GLN 46 2.507 0.697 -8.487 350 HG3 GLN 46 2HG GLN 46 2.661 2.376 -7.976 351 HE21 GLN 46 2HE2 GLN 46 4.675 2.240 -6.153 352 HE22 GLN 46 1HE2 GLN 46 6.139 1.746 -6.925 353 H CYS 47 H CYS 47 3.316 0.538 -3.649 354 HA CYS 47 HA CYS 47 1.598 -1.335 -2.210 355 HB2 CYS 47 1HB CYS 47 4.003 -0.782 -1.519 356 HB3 CYS 47 2HB CYS 47 3.370 0.769 -0.979 357 H ILE 48 H ILE 48 -0.463 -0.759 -2.021 358 HA ILE 48 HA ILE 48 -1.131 2.084 -1.715 359 HB ILE 48 HB ILE 48 -2.980 -0.221 -2.337 360 HG12 ILE 48 1HG1 ILE 48 -2.929 1.377 -4.560 361 HG13 ILE 48 2HG1 ILE 48 -1.254 1.464 -4.025 362 HG21 ILE 48 1HG2 ILE 48 -3.420 2.761 -2.393 363 HG22 ILE 48 2HG2 ILE 48 -4.576 1.548 -2.942 364 HG23 ILE 48 3HG2 ILE 48 -4.114 1.620 -1.241 365 HD11 ILE 48 3HD1 ILE 48 -0.957 -0.415 -5.167 366 HD12 ILE 48 1HD1 ILE 48 -1.826 -1.219 -3.860 367 HD13 ILE 48 2HD1 ILE 48 -2.692 -0.701 -5.307 368 H CYS 49 H CYS 49 -2.401 2.823 -0.025 369 HA CYS 49 HA CYS 49 -2.754 0.937 2.211 370 HB2 CYS 49 1HB CYS 49 -2.336 3.909 2.508 371 HB3 CYS 49 2HB CYS 49 -2.241 2.672 3.756 372 H ASP 50 H ASP 50 -4.698 0.852 3.209 373 HA ASP 50 HA ASP 50 -6.779 2.707 2.248 374 HB2 ASP 50 1HB ASP 50 -7.065 -0.217 2.972 375 HB3 ASP 50 2HB ASP 50 -8.398 0.853 2.544 376 H TYR 51 H TYR 51 -7.725 3.900 3.761 377 HA TYR 51 HA TYR 51 -7.514 3.020 6.566 378 HB2 TYR 51 1HB TYR 51 -6.198 5.071 5.958 379 HB3 TYR 51 2HB TYR 51 -7.720 5.872 5.585 380 HD1 TYR 51 HD2 TYR 51 -6.941 3.572 8.405 381 HD2 TYR 51 HD1 TYR 51 -7.875 7.546 7.208 382 HE1 TYR 51 HE2 TYR 51 -7.169 4.224 10.767 383 HE2 TYR 51 HE1 TYR 51 -8.104 8.209 9.565 384 HH TYR 51 HH TYR 51 -7.159 7.330 11.825 385 H CYS 52 H CYS 52 -9.403 2.313 7.289 386 HA CYS 52 HA CYS 52 -11.874 3.519 6.254 387 HB2 CYS 52 1HB CYS 52 -11.302 0.877 7.591 388 HB3 CYS 52 2HB CYS 52 -12.940 1.484 7.372 389 H GLU 53 H GLU 53 -13.110 4.763 7.507 390 HA GLU 53 HA GLU 53 -12.448 4.919 10.371 391 HB2 GLU 53 1HB GLU 53 -12.150 6.970 8.894 392 HB3 GLU 53 2HB GLU 53 -13.903 7.013 8.762 393 HG2 GLU 53 1HG GLU 53 -14.187 7.527 11.011 394 HG3 GLU 53 2HG GLU 53 -12.564 6.985 11.436 395 H TYR 54 H TYR 54 -13.822 3.679 11.485 396 HA TYR 54 HA TYR 54 -16.663 3.689 10.734 397 HB2 TYR 54 1HB TYR 54 -15.304 1.507 10.938 398 HB3 TYR 54 2HB TYR 54 -15.395 1.770 12.676 399 HD1 TYR 54 HD1 TYR 54 -17.380 1.111 9.636 400 HD2 TYR 54 HD2 TYR 54 -17.411 1.359 13.884 401 HE1 TYR 54 HE1 TYR 54 -19.597 0.046 9.677 402 HE2 TYR 54 HE2 TYR 54 -19.628 0.294 13.935 403 HH TYR 54 HH TYR 54 -20.931 -1.358 11.426 Start of MODEL 7 1 H1 ASP 2 H ASP 2 -17.858 4.835 5.365 2 HA ASP 2 HA ASP 2 -17.140 4.943 2.513 3 HB2 ASP 2 1HB ASP 2 -18.445 6.972 3.352 4 HB3 ASP 2 2HB ASP 2 -17.028 7.347 4.331 5 H CYS 3 H CYS 3 -15.005 4.858 2.056 6 HA CYS 3 HA CYS 3 -13.097 5.096 4.278 7 HB2 CYS 3 1HB CYS 3 -12.835 2.958 2.171 8 HB3 CYS 3 2HB CYS 3 -11.974 3.094 3.701 9 H LYS 4 H LYS 4 -10.770 5.059 3.346 10 HA LYS 4 HA LYS 4 -10.665 6.484 0.781 11 HB2 LYS 4 1HB LYS 4 -8.866 7.951 1.871 12 HB3 LYS 4 2HB LYS 4 -10.544 8.290 2.275 13 HG2 LYS 4 1HG LYS 4 -10.326 7.209 4.393 14 HG3 LYS 4 2HG LYS 4 -8.715 6.616 3.980 15 HD2 LYS 4 1HD LYS 4 -8.189 8.448 5.265 16 HD3 LYS 4 2HD LYS 4 -8.200 9.166 3.653 17 HE2 LYS 4 1HE LYS 4 -10.689 9.130 5.312 18 HE3 LYS 4 2HE LYS 4 -9.451 10.353 5.595 19 HZ1 LYS 4 3HZ LYS 4 -10.796 11.384 4.070 20 HZ2 LYS 4 1HZ LYS 4 -11.161 9.956 3.238 21 HZ3 LYS 4 2HZ LYS 4 -9.647 10.683 3.045 22 H ARG 5 H ARG 5 -8.673 6.332 -0.334 23 HA ARG 5 HA ARG 5 -6.633 4.563 0.764 24 HB2 ARG 5 1HB ARG 5 -6.635 3.167 -1.295 25 HB3 ARG 5 2HB ARG 5 -8.094 2.990 -0.328 26 HG2 ARG 5 1HG ARG 5 -8.980 3.137 -2.429 27 HG3 ARG 5 2HG ARG 5 -9.022 4.832 -1.938 28 HD2 ARG 5 1HD ARG 5 -7.319 5.425 -3.346 29 HD3 ARG 5 2HD ARG 5 -6.581 3.825 -3.302 30 HE ARG 5 HE ARG 5 -9.032 3.581 -4.597 31 HH11 ARG 5 1HH1 ARG 5 -5.969 5.165 -5.078 32 HH12 ARG 5 2HH1 ARG 5 -6.069 5.117 -6.807 33 HH21 ARG 5 1HH2 ARG 5 -9.174 3.511 -6.872 34 HH22 ARG 5 2HH2 ARG 5 -7.892 4.177 -7.827 35 H LYS 6 H LYS 6 -4.649 4.567 -0.492 36 HA LYS 6 HA LYS 6 -4.346 6.478 -2.626 37 HB2 LYS 6 1HB LYS 6 -4.258 8.044 -0.818 38 HB3 LYS 6 2HB LYS 6 -3.176 7.011 0.106 39 HG2 LYS 6 1HG LYS 6 -1.340 7.567 -1.162 40 HG3 LYS 6 2HG LYS 6 -2.312 8.020 -2.563 41 HD2 LYS 6 1HD LYS 6 -2.432 9.576 0.003 42 HD3 LYS 6 2HD LYS 6 -1.194 9.896 -1.214 43 HE2 LYS 6 1HE LYS 6 -4.118 9.835 -1.898 44 HE3 LYS 6 2HE LYS 6 -3.334 11.295 -1.297 45 HZ1 LYS 6 3HZ LYS 6 -3.497 10.778 -3.852 46 HZ2 LYS 6 1HZ LYS 6 -2.087 9.894 -3.543 47 HZ3 LYS 6 2HZ LYS 6 -2.140 11.549 -3.199 48 H VAL 7 H VAL 7 -2.498 6.144 -3.816 49 HA VAL 7 HA VAL 7 -0.893 3.814 -3.018 50 HB VAL 7 HB VAL 7 -2.025 3.541 -5.148 51 HG11 VAL 7 1HG1 VAL 7 -2.317 5.210 -6.582 52 HG12 VAL 7 2HG1 VAL 7 -1.434 6.269 -5.481 53 HG13 VAL 7 3HG1 VAL 7 -0.575 5.411 -6.761 54 HG21 VAL 7 3HG2 VAL 7 0.319 2.670 -4.765 55 HG22 VAL 7 1HG2 VAL 7 -0.182 2.827 -6.449 56 HG23 VAL 7 2HG2 VAL 7 0.886 4.032 -5.731 57 H TYR 8 H TYR 8 1.302 3.907 -2.883 58 HA TYR 8 HA TYR 8 2.510 6.578 -3.165 59 HB2 TYR 8 1HB TYR 8 2.407 5.030 -0.919 60 HB3 TYR 8 2HB TYR 8 3.968 4.565 -1.585 61 HD1 TYR 8 HD2 TYR 8 5.128 6.926 -2.652 62 HD2 TYR 8 HD1 TYR 8 2.677 6.534 0.805 63 HE1 TYR 8 HE2 TYR 8 6.140 8.960 -1.711 64 HE2 TYR 8 HE1 TYR 8 3.683 8.567 1.755 65 HH TYR 8 HH TYR 8 6.492 9.965 0.549 66 H GLU 9 H GLU 9 3.221 6.483 -5.264 67 HA GLU 9 HA GLU 9 4.468 4.263 -6.462 68 HB2 GLU 9 1HB GLU 9 5.183 5.833 -8.201 69 HB3 GLU 9 2HB GLU 9 3.496 6.080 -7.773 70 HG2 GLU 9 1HG GLU 9 4.484 7.880 -6.155 71 HG3 GLU 9 2HG GLU 9 5.858 7.815 -7.258 72 H ASN 10 H ASN 10 5.705 6.916 -4.541 73 HA ASN 10 HA ASN 10 8.429 6.686 -5.120 74 HB2 ASN 10 1HB ASN 10 7.058 8.404 -3.640 75 HB3 ASN 10 2HB ASN 10 7.566 7.335 -2.335 76 HD21 ASN 10 2HD2 ASN 10 9.030 8.742 -5.250 77 HD22 ASN 10 1HD2 ASN 10 10.467 9.291 -4.466 78 H TYR 11 H TYR 11 6.338 4.685 -3.232 79 HA TYR 11 HA TYR 11 8.348 3.419 -1.660 80 HB2 TYR 11 1HB TYR 11 5.678 3.486 -1.476 81 HB3 TYR 11 2HB TYR 11 5.848 1.953 -2.324 82 HD1 TYR 11 HD2 TYR 11 7.351 3.742 0.599 83 HD2 TYR 11 HD1 TYR 11 6.022 0.047 -1.040 84 HE1 TYR 11 HE2 TYR 11 7.847 2.624 2.733 85 HE2 TYR 11 HE1 TYR 11 6.514 -1.081 1.090 86 HH TYR 11 HH TYR 11 6.696 -0.365 3.552 87 HA PRO 12 HA PRO 12 10.093 0.757 -4.717 88 HB2 PRO 12 1HB PRO 12 11.312 -0.992 -3.036 89 HB3 PRO 12 2HB PRO 12 11.924 0.638 -3.335 90 HG2 PRO 12 1HG PRO 12 10.293 -0.380 -1.042 91 HG3 PRO 12 2HG PRO 12 11.690 0.712 -1.023 92 HD2 PRO 12 1HD PRO 12 9.140 1.602 -0.823 93 HD3 PRO 12 2HD PRO 12 10.422 2.545 -1.609 94 H VAL 13 H VAL 13 9.332 -0.939 -5.831 95 HA VAL 13 HA VAL 13 7.054 -2.376 -4.945 96 HB VAL 13 HB VAL 13 8.854 -3.117 -7.251 97 HG11 VAL 13 1HG1 VAL 13 5.961 -3.682 -6.623 98 HG12 VAL 13 2HG1 VAL 13 6.711 -3.993 -8.191 99 HG13 VAL 13 3HG1 VAL 13 7.279 -4.847 -6.755 100 HG21 VAL 13 3HG2 VAL 13 8.375 -1.016 -7.946 101 HG22 VAL 13 1HG2 VAL 13 6.852 -1.768 -8.422 102 HG23 VAL 13 2HG2 VAL 13 6.958 -0.877 -6.904 103 H SER 14 H SER 14 10.384 -2.831 -4.443 104 HA SER 14 HA SER 14 10.633 -5.606 -4.361 105 HB2 SER 14 1HB SER 14 12.008 -3.573 -2.587 106 HB3 SER 14 2HB SER 14 12.547 -5.228 -2.870 107 HG SER 14 HG SER 14 13.488 -3.410 -4.182 108 H LYS 15 H LYS 15 9.172 -3.387 -2.109 109 HA LYS 15 HA LYS 15 9.000 -5.300 0.038 110 HB2 LYS 15 1HB LYS 15 7.425 -2.742 -0.209 111 HB3 LYS 15 2HB LYS 15 7.867 -3.604 1.259 112 HG2 LYS 15 1HG LYS 15 9.829 -2.258 -0.585 113 HG3 LYS 15 2HG LYS 15 9.172 -1.539 0.886 114 HD2 LYS 15 1HD LYS 15 10.310 -4.220 1.242 115 HD3 LYS 15 2HD LYS 15 11.475 -2.987 0.753 116 HE2 LYS 15 1HE LYS 15 10.126 -1.646 2.664 117 HE3 LYS 15 2HE LYS 15 9.971 -3.293 3.273 118 HZ1 LYS 15 3HZ LYS 15 12.620 -2.447 2.392 119 HZ2 LYS 15 1HZ LYS 15 12.176 -3.449 3.681 120 HZ3 LYS 15 2HZ LYS 15 12.041 -1.770 3.831 121 H CYS 16 H CYS 16 7.125 -4.448 -2.720 122 HA CYS 16 HA CYS 16 4.550 -5.119 -1.963 123 HB2 CYS 16 1HB CYS 16 5.147 -4.157 -4.158 124 HB3 CYS 16 2HB CYS 16 5.872 -5.693 -4.624 125 H GLN 17 H GLN 17 7.272 -7.194 -2.670 126 HA GLN 17 HA GLN 17 5.962 -9.620 -3.063 127 HB2 GLN 17 1HB GLN 17 8.039 -10.683 -2.568 128 HB3 GLN 17 2HB GLN 17 8.416 -9.167 -3.376 129 HG2 GLN 17 1HG GLN 17 8.632 -8.232 -0.968 130 HG3 GLN 17 2HG GLN 17 8.793 -9.928 -0.517 131 HE21 GLN 17 2HE2 GLN 17 10.821 -8.146 -0.061 132 HE22 GLN 17 1HE2 GLN 17 12.157 -8.508 -1.095 133 H LEU 18 H LEU 18 6.385 -7.752 -0.199 134 HA LEU 18 HA LEU 18 5.465 -9.999 1.461 135 HB2 LEU 18 1HB LEU 18 6.687 -7.380 2.319 136 HB3 LEU 18 2HB LEU 18 6.250 -8.720 3.376 137 HG LEU 18 HG LEU 18 8.300 -9.032 1.202 138 HD11 LEU 18 1HD1 LEU 18 8.623 -7.879 3.949 139 HD12 LEU 18 2HD1 LEU 18 9.250 -7.283 2.412 140 HD13 LEU 18 3HD1 LEU 18 9.943 -8.729 3.146 141 HD21 LEU 18 3HD2 LEU 18 8.711 -11.051 2.108 142 HD22 LEU 18 1HD2 LEU 18 7.075 -10.879 2.747 143 HD23 LEU 18 2HD2 LEU 18 8.463 -10.479 3.759 144 H ALA 19 H ALA 19 3.538 -9.925 2.475 145 HA ALA 19 HA ALA 19 1.765 -7.709 1.815 146 HB1 ALA 19 3HB ALA 19 0.184 -9.422 3.162 147 HB2 ALA 19 1HB ALA 19 0.511 -9.542 1.433 148 HB3 ALA 19 2HB ALA 19 1.419 -10.535 2.574 149 H ASN 20 H ASN 20 3.339 -9.164 4.576 150 HA ASN 20 HA ASN 20 1.825 -7.682 6.522 151 HB2 ASN 20 1HB ASN 20 3.055 -9.962 6.809 152 HB3 ASN 20 2HB ASN 20 4.481 -8.967 7.087 153 HD21 ASN 20 2HD2 ASN 20 4.872 -8.940 9.177 154 HD22 ASN 20 1HD2 ASN 20 3.706 -8.683 10.426 155 H GLN 21 H GLN 21 4.505 -7.048 4.518 156 HA GLN 21 HA GLN 21 5.708 -5.060 6.229 157 HB2 GLN 21 1HB GLN 21 7.087 -6.365 4.672 158 HB3 GLN 21 2HB GLN 21 6.193 -5.696 3.314 159 HG2 GLN 21 1HG GLN 21 7.976 -4.311 3.266 160 HG3 GLN 21 2HG GLN 21 6.979 -3.415 4.411 161 HE21 GLN 21 2HE2 GLN 21 8.149 -2.642 6.002 162 HE22 GLN 21 1HE2 GLN 21 9.466 -3.438 6.787 163 H CYS 22 H CYS 22 3.649 -5.112 3.357 164 HA CYS 22 HA CYS 22 3.622 -2.350 2.858 165 HB2 CYS 22 1HB CYS 22 2.704 -4.366 1.458 166 HB3 CYS 22 2HB CYS 22 1.211 -4.052 2.337 167 H ASN 23 H ASN 23 1.075 -4.300 4.426 168 HA ASN 23 HA ASN 23 -0.461 -2.163 5.332 169 HB2 ASN 23 1HB ASN 23 -1.736 -3.732 6.402 170 HB3 ASN 23 2HB ASN 23 -0.818 -4.812 5.355 171 HD21 ASN 23 2HD2 ASN 23 1.305 -5.552 6.338 172 HD22 ASN 23 1HD2 ASN 23 1.252 -6.029 7.998 173 H TYR 24 H TYR 24 2.430 -3.594 6.650 174 HA TYR 24 HA TYR 24 2.242 -2.514 9.260 175 HB2 TYR 24 1HB TYR 24 3.746 -4.328 8.925 176 HB3 TYR 24 2HB TYR 24 4.577 -3.491 7.618 177 HD1 TYR 24 HD1 TYR 24 3.701 -2.703 11.173 178 HD2 TYR 24 HD2 TYR 24 6.709 -2.833 8.168 179 HE1 TYR 24 HE1 TYR 24 5.341 -1.830 12.786 180 HE2 TYR 24 HE2 TYR 24 8.358 -1.962 9.772 181 HH TYR 24 HH TYR 24 7.418 -1.086 13.080 182 H ASP 25 H ASP 25 3.866 -1.395 6.311 183 HA ASP 25 HA ASP 25 4.851 0.999 7.544 184 HB2 ASP 25 1HB ASP 25 5.022 -0.290 4.914 185 HB3 ASP 25 2HB ASP 25 4.967 1.469 4.840 186 H CYS 26 H CYS 26 1.978 0.067 5.830 187 HA CYS 26 HA CYS 26 1.117 2.738 5.235 188 HB2 CYS 26 1HB CYS 26 -0.243 0.048 5.147 189 HB3 CYS 26 2HB CYS 26 -1.105 1.542 4.795 190 H LYS 27 H LYS 27 0.094 0.263 7.582 191 HA LYS 27 HA LYS 27 -1.757 1.952 8.914 192 HB2 LYS 27 1HB LYS 27 -0.396 -0.603 9.777 193 HB3 LYS 27 2HB LYS 27 -1.657 0.195 10.709 194 HG2 LYS 27 1HG LYS 27 -2.871 0.004 8.307 195 HG3 LYS 27 2HG LYS 27 -1.845 -1.431 8.269 196 HD2 LYS 27 1HD LYS 27 -3.812 -0.710 10.444 197 HD3 LYS 27 2HD LYS 27 -4.043 -1.944 9.203 198 HE2 LYS 27 1HE LYS 27 -1.919 -3.017 10.096 199 HE3 LYS 27 2HE LYS 27 -2.066 -1.924 11.471 200 HZ1 LYS 27 3HZ LYS 27 -3.097 -3.938 12.085 201 HZ2 LYS 27 1HZ LYS 27 -3.960 -4.043 10.633 202 HZ3 LYS 27 2HZ LYS 27 -4.359 -2.855 11.769 203 H LEU 28 H LEU 28 1.609 1.872 8.907 204 HA LEU 28 HA LEU 28 2.025 2.723 11.623 205 HB2 LEU 28 1HB LEU 28 3.799 1.528 10.620 206 HB3 LEU 28 2HB LEU 28 3.790 2.567 9.197 207 HG LEU 28 HG LEU 28 4.663 4.417 10.575 208 HD11 LEU 28 1HD1 LEU 28 5.440 4.034 12.817 209 HD12 LEU 28 2HD1 LEU 28 4.941 2.344 12.745 210 HD13 LEU 28 3HD1 LEU 28 3.727 3.624 12.726 211 HD21 LEU 28 3HD2 LEU 28 6.919 3.566 10.783 212 HD22 LEU 28 1HD2 LEU 28 6.172 2.928 9.318 213 HD23 LEU 28 2HD2 LEU 28 6.325 1.905 10.746 214 H ASP 29 H ASP 29 2.621 4.338 8.496 215 HA ASP 29 HA ASP 29 2.409 6.927 9.828 216 HB2 ASP 29 1HB ASP 29 3.566 5.956 7.260 217 HB3 ASP 29 2HB ASP 29 2.991 7.621 7.317 218 H LYS 30 H LYS 30 1.037 5.260 6.998 219 HA LYS 30 HA LYS 30 -0.925 7.260 6.498 220 HB2 LYS 30 1HB LYS 30 -0.179 4.652 5.390 221 HB3 LYS 30 2HB LYS 30 -1.909 4.968 5.331 222 HG2 LYS 30 1HG LYS 30 -0.046 7.089 4.397 223 HG3 LYS 30 2HG LYS 30 -0.318 5.681 3.368 224 HD2 LYS 30 1HD LYS 30 -2.005 7.013 2.610 225 HD3 LYS 30 2HD LYS 30 -2.852 6.227 3.944 226 HE2 LYS 30 1HE LYS 30 -2.749 8.102 5.286 227 HE3 LYS 30 2HE LYS 30 -1.350 8.759 4.439 228 HZ1 LYS 30 3HZ LYS 30 -3.519 8.561 2.654 229 HZ2 LYS 30 1HZ LYS 30 -2.692 9.945 3.164 230 HZ3 LYS 30 2HZ LYS 30 -4.025 9.387 4.040 231 H HIS 31 H HIS 31 -0.667 4.917 8.882 232 HA HIS 31 HA HIS 31 -2.105 4.004 10.399 233 HB2 HIS 31 1HB HIS 31 -2.440 6.644 10.498 234 HB3 HIS 31 2HB HIS 31 -4.060 6.210 9.961 235 HD1 HIS 31 HD1 HIS 31 -5.271 6.731 12.119 236 HD2 HIS 31 HD2 HIS 31 -2.100 4.096 12.632 237 HE1 HIS 31 HE1 HIS 31 -5.486 5.872 14.472 238 H ALA 32 H ALA 32 -2.506 3.378 7.521 239 HA ALA 32 HA ALA 32 -5.234 3.188 6.889 240 HB1 ALA 32 3HB ALA 32 -4.479 2.298 4.991 241 HB2 ALA 32 1HB ALA 32 -2.856 2.543 5.640 242 HB3 ALA 32 2HB ALA 32 -3.661 0.985 5.840 243 H ARG 33 H ARG 33 -5.690 0.515 6.285 244 HA ARG 33 HA ARG 33 -5.667 -0.834 8.894 245 HB2 ARG 33 1HB ARG 33 -7.876 0.375 8.288 246 HB3 ARG 33 2HB ARG 33 -8.090 -0.920 7.119 247 HG2 ARG 33 1HG ARG 33 -7.820 -2.538 9.028 248 HG3 ARG 33 2HG ARG 33 -7.916 -1.145 10.109 249 HD2 ARG 33 1HD ARG 33 -10.029 -1.438 8.048 250 HD3 ARG 33 2HD ARG 33 -10.057 -2.558 9.410 251 HE ARG 33 HE ARG 33 -10.807 0.176 9.451 252 HH11 ARG 33 1HH1 ARG 33 -9.268 -2.294 11.362 253 HH12 ARG 33 2HH1 ARG 33 -9.697 -1.571 12.878 254 HH21 ARG 33 1HH2 ARG 33 -11.378 1.137 11.439 255 HH22 ARG 33 2HH2 ARG 33 -10.898 0.380 12.920 256 H SER 34 H SER 34 -6.123 -1.104 5.400 257 HA SER 34 HA SER 34 -5.147 -3.879 5.571 258 HB2 SER 34 1HB SER 34 -7.140 -2.869 3.531 259 HB3 SER 34 2HB SER 34 -6.617 -4.535 3.779 260 HG SER 34 HG SER 34 -8.590 -4.250 4.791 261 H GLY 35 H GLY 35 -3.511 -1.607 5.234 262 HA2 GLY 35 1HA GLY 35 -2.905 -0.826 2.657 263 HA3 GLY 35 2HA GLY 35 -1.718 -0.975 3.943 264 H GLU 36 H GLU 36 -2.430 -1.941 0.895 265 HA GLU 36 HA GLU 36 -0.497 -4.103 1.030 266 HB2 GLU 36 1HB GLU 36 -2.931 -4.991 1.323 267 HB3 GLU 36 2HB GLU 36 -3.071 -4.675 -0.401 268 HG2 GLU 36 1HG GLU 36 -1.405 -6.246 -0.931 269 HG3 GLU 36 2HG GLU 36 -0.865 -6.356 0.744 270 H CYS 37 H CYS 37 0.023 -4.917 -1.220 271 HA CYS 37 HA CYS 37 0.047 -2.618 -3.049 272 HB2 CYS 37 1HB CYS 37 2.050 -3.487 -3.984 273 HB3 CYS 37 2HB CYS 37 2.224 -3.637 -2.239 274 H PHE 38 H PHE 38 -0.308 -2.932 -5.295 275 HA PHE 38 HA PHE 38 -1.160 -5.420 -6.373 276 HB2 PHE 38 1HB PHE 38 -3.122 -4.226 -4.889 277 HB3 PHE 38 2HB PHE 38 -3.456 -3.585 -6.493 278 HD1 PHE 38 HD2 PHE 38 -2.387 -6.901 -5.150 279 HD2 PHE 38 HD1 PHE 38 -5.136 -4.715 -7.554 280 HE1 PHE 38 HE2 PHE 38 -3.529 -8.998 -5.746 281 HE2 PHE 38 HE1 PHE 38 -6.283 -6.808 -8.152 282 HZ PHE 38 HZ PHE 38 -5.478 -8.953 -7.249 283 H TYR 39 H TYR 39 -1.859 -5.226 -8.626 284 HA TYR 39 HA TYR 39 -0.276 -3.375 -10.050 285 HB2 TYR 39 1HB TYR 39 -1.222 -4.341 -12.045 286 HB3 TYR 39 2HB TYR 39 -0.943 -5.634 -10.883 287 HD1 TYR 39 HD2 TYR 39 -3.501 -3.612 -12.578 288 HD2 TYR 39 HD1 TYR 39 -2.786 -6.849 -9.911 289 HE1 TYR 39 HE2 TYR 39 -5.850 -4.303 -12.797 290 HE2 TYR 39 HE1 TYR 39 -5.133 -7.550 -10.124 291 HH TYR 39 HH TYR 39 -7.521 -5.603 -11.438 292 H ASP 40 H ASP 40 -0.767 -1.514 -11.129 293 HA ASP 40 HA ASP 40 -3.359 -0.301 -10.470 294 HB2 ASP 40 1HB ASP 40 -2.174 1.849 -11.135 295 HB3 ASP 40 2HB ASP 40 -1.578 1.055 -9.679 296 H GLU 41 H GLU 41 -3.778 1.565 -12.266 297 HA GLU 41 HA GLU 41 -4.696 0.186 -14.537 298 HB2 GLU 41 1HB GLU 41 -5.371 2.342 -15.386 299 HB3 GLU 41 2HB GLU 41 -5.695 2.282 -13.659 300 HG2 GLU 41 1HG GLU 41 -3.328 3.397 -13.496 301 HG3 GLU 41 2HG GLU 41 -3.678 3.872 -15.158 302 H LYS 42 H LYS 42 -1.657 1.595 -13.802 303 HA LYS 42 HA LYS 42 -0.845 1.698 -16.607 304 HB2 LYS 42 1HB LYS 42 0.627 2.480 -14.084 305 HB3 LYS 42 2HB LYS 42 1.260 2.663 -15.715 306 HG2 LYS 42 1HG LYS 42 -0.661 4.154 -16.228 307 HG3 LYS 42 2HG LYS 42 -1.127 4.059 -14.528 308 HD2 LYS 42 1HD LYS 42 0.131 5.968 -14.483 309 HD3 LYS 42 2HD LYS 42 1.389 4.773 -14.161 310 HE2 LYS 42 1HE LYS 42 2.215 4.884 -16.345 311 HE3 LYS 42 2HE LYS 42 0.744 5.637 -16.959 312 HZ1 LYS 42 3HZ LYS 42 3.033 6.933 -16.245 313 HZ2 LYS 42 1HZ LYS 42 2.003 7.210 -14.932 314 HZ3 LYS 42 2HZ LYS 42 1.522 7.650 -16.492 315 H ARG 43 H ARG 43 -1.398 -0.814 -15.042 316 HA ARG 43 HA ARG 43 -0.524 -2.898 -14.743 317 HB2 ARG 43 1HB ARG 43 1.041 -1.890 -17.113 318 HB3 ARG 43 2HB ARG 43 1.230 -3.528 -16.500 319 HG2 ARG 43 1HG ARG 43 -0.324 -3.856 -18.143 320 HG3 ARG 43 2HG ARG 43 -1.373 -3.599 -16.747 321 HD2 ARG 43 1HD ARG 43 -1.636 -1.251 -17.375 322 HD3 ARG 43 2HD ARG 43 -0.576 -1.501 -18.762 323 HE ARG 43 HE ARG 43 -2.805 -3.283 -18.769 324 HH11 ARG 43 1HH1 ARG 43 -1.799 -0.039 -19.527 325 HH12 ARG 43 2HH1 ARG 43 -3.024 0.201 -20.728 326 HH21 ARG 43 1HH2 ARG 43 -4.423 -2.980 -20.349 327 HH22 ARG 43 2HH2 ARG 43 -4.516 -1.472 -21.194 328 H ASN 44 H ASN 44 0.641 -0.723 -13.179 329 HA ASN 44 HA ASN 44 3.369 -1.761 -12.784 330 HB2 ASN 44 1HB ASN 44 2.153 0.945 -12.442 331 HB3 ASN 44 2HB ASN 44 3.473 0.485 -11.370 332 HD21 ASN 44 2HD2 ASN 44 2.699 1.869 -14.272 333 HD22 ASN 44 1HD2 ASN 44 4.235 1.749 -15.055 334 H LEU 45 H LEU 45 4.090 -2.223 -10.682 335 HA LEU 45 HA LEU 45 1.923 -2.856 -8.811 336 HB2 LEU 45 1HB LEU 45 4.772 -3.804 -8.668 337 HB3 LEU 45 2HB LEU 45 3.366 -4.468 -7.839 338 HG LEU 45 HG LEU 45 3.674 -4.551 -10.832 339 HD11 LEU 45 1HD1 LEU 45 5.575 -5.713 -9.926 340 HD12 LEU 45 2HD1 LEU 45 4.407 -6.894 -10.518 341 HD13 LEU 45 3HD1 LEU 45 4.549 -6.585 -8.787 342 HD21 LEU 45 3HD2 LEU 45 1.474 -5.020 -10.417 343 HD22 LEU 45 1HD2 LEU 45 1.802 -5.693 -8.820 344 HD23 LEU 45 2HD2 LEU 45 2.167 -6.635 -10.266 345 H GLN 46 H GLN 46 1.635 -1.640 -7.072 346 HA GLN 46 HA GLN 46 3.935 -0.378 -5.788 347 HB2 GLN 46 1HB GLN 46 1.439 1.214 -6.348 348 HB3 GLN 46 2HB GLN 46 2.983 1.797 -5.743 349 HG2 GLN 46 1HG GLN 46 3.958 1.066 -7.971 350 HG3 GLN 46 2HG GLN 46 2.291 0.901 -8.519 351 HE21 GLN 46 2HE2 GLN 46 4.587 2.764 -9.176 352 HE22 GLN 46 1HE2 GLN 46 3.887 4.341 -9.081 353 H CYS 47 H CYS 47 3.320 0.578 -3.642 354 HA CYS 47 HA CYS 47 1.501 -1.268 -2.296 355 HB2 CYS 47 1HB CYS 47 3.971 0.026 -1.606 356 HB3 CYS 47 2HB CYS 47 2.739 0.452 -0.422 357 H ILE 48 H ILE 48 -0.546 -0.633 -2.152 358 HA ILE 48 HA ILE 48 -1.144 2.223 -1.840 359 HB ILE 48 HB ILE 48 -3.049 -0.032 -2.475 360 HG12 ILE 48 1HG1 ILE 48 -2.923 1.509 -4.721 361 HG13 ILE 48 2HG1 ILE 48 -1.259 1.600 -4.157 362 HG21 ILE 48 1HG2 ILE 48 -4.631 1.699 -3.029 363 HG22 ILE 48 2HG2 ILE 48 -4.046 1.955 -1.385 364 HG23 ILE 48 3HG2 ILE 48 -3.430 2.950 -2.706 365 HD11 ILE 48 3HD1 ILE 48 -0.879 -0.359 -5.098 366 HD12 ILE 48 1HD1 ILE 48 -2.021 -1.098 -3.977 367 HD13 ILE 48 2HD1 ILE 48 -2.579 -0.510 -5.542 368 H CYS 49 H CYS 49 -2.164 3.032 -0.079 369 HA CYS 49 HA CYS 49 -2.706 1.144 2.117 370 HB2 CYS 49 1HB CYS 49 -2.122 4.089 2.422 371 HB3 CYS 49 2HB CYS 49 -2.109 2.848 3.672 372 H ASP 50 H ASP 50 -4.693 1.054 2.967 373 HA ASP 50 HA ASP 50 -6.635 3.114 2.145 374 HB2 ASP 50 1HB ASP 50 -6.954 0.855 1.074 375 HB3 ASP 50 2HB ASP 50 -7.268 0.209 2.682 376 H TYR 51 H TYR 51 -7.458 4.244 3.767 377 HA TYR 51 HA TYR 51 -7.423 3.056 6.464 378 HB2 TYR 51 1HB TYR 51 -5.947 4.977 6.315 379 HB3 TYR 51 2HB TYR 51 -7.238 5.958 5.630 380 HD1 TYR 51 HD2 TYR 51 -7.311 3.626 8.536 381 HD2 TYR 51 HD1 TYR 51 -7.615 7.648 7.184 382 HE1 TYR 51 HE2 TYR 51 -7.968 4.330 10.800 383 HE2 TYR 51 HE1 TYR 51 -8.271 8.364 9.443 384 HH TYR 51 HH TYR 51 -8.668 7.737 11.531 385 H CYS 52 H CYS 52 -9.373 2.418 7.079 386 HA CYS 52 HA CYS 52 -11.689 4.092 6.359 387 HB2 CYS 52 1HB CYS 52 -11.535 1.790 5.255 388 HB3 CYS 52 2HB CYS 52 -11.832 1.123 6.856 389 H GLU 53 H GLU 53 -13.166 4.560 7.941 390 HA GLU 53 HA GLU 53 -12.492 3.634 10.657 391 HB2 GLU 53 1HB GLU 53 -13.369 6.323 9.649 392 HB3 GLU 53 2HB GLU 53 -13.661 5.857 11.319 393 HG2 GLU 53 1HG GLU 53 -11.264 5.494 11.634 394 HG3 GLU 53 2HG GLU 53 -10.976 5.979 9.964 395 H TYR 54 H TYR 54 -13.946 2.157 11.240 396 HA TYR 54 HA TYR 54 -16.480 1.789 10.162 397 HB2 TYR 54 1HB TYR 54 -15.195 0.133 11.544 398 HB3 TYR 54 2HB TYR 54 -15.646 1.055 12.974 399 HD1 TYR 54 HD1 TYR 54 -17.061 -0.860 10.123 400 HD2 TYR 54 HD2 TYR 54 -17.703 0.679 14.037 401 HE1 TYR 54 HE1 TYR 54 -19.161 -2.133 10.272 402 HE2 TYR 54 HE2 TYR 54 -19.803 -0.591 14.198 403 HH TYR 54 HH TYR 54 -20.979 -2.551 11.481 Start of MODEL 8 1 H1 ASP 2 H ASP 2 -18.081 3.569 2.938 2 HA ASP 2 HA ASP 2 -16.600 5.357 1.206 3 HB2 ASP 2 1HB ASP 2 -17.903 5.908 3.881 4 HB3 ASP 2 2HB ASP 2 -17.310 7.115 2.742 5 H CYS 3 H CYS 3 -14.460 4.768 1.312 6 HA CYS 3 HA CYS 3 -13.141 5.294 3.884 7 HB2 CYS 3 1HB CYS 3 -12.200 3.121 2.020 8 HB3 CYS 3 2HB CYS 3 -11.716 3.413 3.688 9 H LYS 4 H LYS 4 -10.670 5.482 3.493 10 HA LYS 4 HA LYS 4 -10.260 7.090 1.058 11 HB2 LYS 4 1HB LYS 4 -10.110 8.631 2.801 12 HB3 LYS 4 2HB LYS 4 -9.338 7.481 3.884 13 HG2 LYS 4 1HG LYS 4 -7.272 7.946 3.121 14 HG3 LYS 4 2HG LYS 4 -7.818 8.166 1.457 15 HD2 LYS 4 1HD LYS 4 -8.434 10.159 3.622 16 HD3 LYS 4 2HD LYS 4 -6.943 10.228 2.680 17 HE2 LYS 4 1HE LYS 4 -9.664 10.139 1.402 18 HE3 LYS 4 2HE LYS 4 -8.888 11.652 1.868 19 HZ1 LYS 4 3HZ LYS 4 -6.928 10.523 0.489 20 HZ2 LYS 4 1HZ LYS 4 -8.099 11.515 -0.224 21 HZ3 LYS 4 2HZ LYS 4 -8.250 9.833 -0.309 22 H ARG 5 H ARG 5 -8.918 6.191 -0.347 23 HA ARG 5 HA ARG 5 -6.702 4.543 0.681 24 HB2 ARG 5 1HB ARG 5 -6.908 3.183 -1.396 25 HB3 ARG 5 2HB ARG 5 -8.304 3.061 -0.334 26 HG2 ARG 5 1HG ARG 5 -9.399 3.336 -2.291 27 HG3 ARG 5 2HG ARG 5 -9.159 5.039 -1.898 28 HD2 ARG 5 1HD ARG 5 -8.565 4.577 -4.219 29 HD3 ARG 5 2HD ARG 5 -7.155 5.083 -3.290 30 HE ARG 5 HE ARG 5 -7.093 2.365 -3.159 31 HH11 ARG 5 1HH1 ARG 5 -7.235 4.683 -5.753 32 HH12 ARG 5 2HH1 ARG 5 -6.379 3.677 -6.874 33 HH21 ARG 5 1HH2 ARG 5 -5.965 1.031 -4.625 34 HH22 ARG 5 2HH2 ARG 5 -5.657 1.600 -6.231 35 H LYS 6 H LYS 6 -4.737 4.645 -0.446 36 HA LYS 6 HA LYS 6 -4.448 6.406 -2.714 37 HB2 LYS 6 1HB LYS 6 -4.445 8.014 -0.866 38 HB3 LYS 6 2HB LYS 6 -3.166 7.109 -0.067 39 HG2 LYS 6 1HG LYS 6 -1.554 7.962 -1.384 40 HG3 LYS 6 2HG LYS 6 -2.581 7.966 -2.820 41 HD2 LYS 6 1HD LYS 6 -2.055 10.241 -2.202 42 HD3 LYS 6 2HD LYS 6 -3.770 9.939 -1.916 43 HE2 LYS 6 1HE LYS 6 -3.280 9.558 0.467 44 HE3 LYS 6 2HE LYS 6 -1.581 9.918 0.161 45 HZ1 LYS 6 3HZ LYS 6 -3.461 11.724 0.887 46 HZ2 LYS 6 1HZ LYS 6 -3.371 11.956 -0.786 47 HZ3 LYS 6 2HZ LYS 6 -1.979 12.098 0.162 48 H VAL 7 H VAL 7 -2.523 6.102 -3.824 49 HA VAL 7 HA VAL 7 -0.998 3.744 -2.989 50 HB VAL 7 HB VAL 7 -1.901 3.615 -5.225 51 HG11 VAL 7 1HG1 VAL 7 -0.350 5.574 -6.600 52 HG12 VAL 7 2HG1 VAL 7 -2.105 5.397 -6.532 53 HG13 VAL 7 3HG1 VAL 7 -1.268 6.366 -5.319 54 HG21 VAL 7 3HG2 VAL 7 0.641 3.037 -4.562 55 HG22 VAL 7 1HG2 VAL 7 -0.053 2.697 -6.147 56 HG23 VAL 7 2HG2 VAL 7 0.922 4.147 -5.904 57 H TYR 8 H TYR 8 1.184 3.763 -2.663 58 HA TYR 8 HA TYR 8 2.469 6.414 -2.643 59 HB2 TYR 8 1HB TYR 8 2.089 4.875 -0.486 60 HB3 TYR 8 2HB TYR 8 3.606 4.178 -1.043 61 HD1 TYR 8 HD1 TYR 8 2.250 7.660 -0.823 62 HD2 TYR 8 HD2 TYR 8 5.404 4.975 0.151 63 HE1 TYR 8 HE1 TYR 8 3.482 9.503 0.241 64 HE2 TYR 8 HE2 TYR 8 6.644 6.811 1.220 65 HH TYR 8 HH TYR 8 5.295 9.677 2.093 66 H GLU 9 H GLU 9 3.128 6.200 -4.836 67 HA GLU 9 HA GLU 9 4.629 4.037 -5.833 68 HB2 GLU 9 1HB GLU 9 5.181 5.475 -7.690 69 HB3 GLU 9 2HB GLU 9 3.502 5.740 -7.245 70 HG2 GLU 9 1HG GLU 9 4.273 7.733 -5.926 71 HG3 GLU 9 2HG GLU 9 5.857 7.513 -6.668 72 H ASN 10 H ASN 10 5.450 6.531 -3.671 73 HA ASN 10 HA ASN 10 8.182 6.878 -4.236 74 HB2 ASN 10 1HB ASN 10 6.350 7.519 -2.042 75 HB3 ASN 10 2HB ASN 10 7.998 7.208 -1.504 76 HD21 ASN 10 2HD2 ASN 10 9.595 8.230 -3.298 77 HD22 ASN 10 1HD2 ASN 10 9.311 9.916 -3.547 78 H TYR 11 H TYR 11 6.442 4.362 -2.585 79 HA TYR 11 HA TYR 11 8.760 3.221 -1.324 80 HB2 TYR 11 1HB TYR 11 5.940 2.874 -1.164 81 HB3 TYR 11 2HB TYR 11 6.649 1.311 -1.556 82 HD1 TYR 11 HD2 TYR 11 7.847 4.120 0.599 83 HD2 TYR 11 HD1 TYR 11 6.695 0.031 0.368 84 HE1 TYR 11 HE2 TYR 11 8.470 3.817 2.959 85 HE2 TYR 11 HE1 TYR 11 7.312 -0.283 2.728 86 HH TYR 11 HH TYR 11 8.825 0.793 4.393 87 HA PRO 12 HA PRO 12 10.282 0.785 -4.650 88 HB2 PRO 12 1HB PRO 12 11.401 -1.263 -3.264 89 HB3 PRO 12 2HB PRO 12 12.105 0.357 -3.319 90 HG2 PRO 12 1HG PRO 12 10.418 -0.904 -1.191 91 HG3 PRO 12 2HG PRO 12 11.875 0.093 -1.020 92 HD2 PRO 12 1HD PRO 12 9.381 1.084 -0.664 93 HD3 PRO 12 2HD PRO 12 10.714 2.063 -1.311 94 H VAL 13 H VAL 13 9.602 -0.831 -5.966 95 HA VAL 13 HA VAL 13 7.159 -2.153 -5.394 96 HB VAL 13 HB VAL 13 9.123 -2.735 -7.615 97 HG11 VAL 13 1HG1 VAL 13 6.827 -3.395 -8.704 98 HG12 VAL 13 2HG1 VAL 13 7.706 -4.539 -7.688 99 HG13 VAL 13 3HG1 VAL 13 6.345 -3.634 -7.025 100 HG21 VAL 13 3HG2 VAL 13 8.613 -0.563 -8.084 101 HG22 VAL 13 1HG2 VAL 13 7.221 -1.343 -8.837 102 HG23 VAL 13 2HG2 VAL 13 7.070 -0.625 -7.233 103 H SER 14 H SER 14 10.426 -2.927 -4.757 104 HA SER 14 HA SER 14 10.306 -5.744 -4.816 105 HB2 SER 14 1HB SER 14 12.097 -3.739 -3.491 106 HB3 SER 14 2HB SER 14 12.229 -5.442 -3.049 107 HG SER 14 HG SER 14 13.299 -4.261 -5.125 108 H LYS 15 H LYS 15 9.320 -3.381 -2.450 109 HA LYS 15 HA LYS 15 9.064 -5.181 -0.258 110 HB2 LYS 15 1HB LYS 15 8.319 -2.378 -0.840 111 HB3 LYS 15 2HB LYS 15 7.347 -3.191 0.379 112 HG2 LYS 15 1HG LYS 15 9.246 -1.931 1.321 113 HG3 LYS 15 2HG LYS 15 9.294 -3.653 1.705 114 HD2 LYS 15 1HD LYS 15 11.164 -4.009 0.480 115 HD3 LYS 15 2HD LYS 15 10.706 -2.834 -0.755 116 HE2 LYS 15 1HE LYS 15 12.505 -1.781 0.218 117 HE3 LYS 15 2HE LYS 15 11.169 -1.098 1.143 118 HZ1 LYS 15 3HZ LYS 15 13.343 -2.707 2.038 119 HZ2 LYS 15 1HZ LYS 15 11.858 -3.384 2.486 120 HZ3 LYS 15 2HZ LYS 15 12.238 -1.799 2.941 121 H CYS 16 H CYS 16 7.056 -4.334 -2.956 122 HA CYS 16 HA CYS 16 4.527 -4.990 -2.056 123 HB2 CYS 16 1HB CYS 16 4.898 -4.035 -4.259 124 HB3 CYS 16 2HB CYS 16 5.750 -5.487 -4.777 125 H GLN 17 H GLN 17 7.189 -7.085 -2.905 126 HA GLN 17 HA GLN 17 5.857 -9.505 -3.234 127 HB2 GLN 17 1HB GLN 17 8.545 -9.137 -1.904 128 HB3 GLN 17 2HB GLN 17 7.958 -10.581 -2.718 129 HG2 GLN 17 1HG GLN 17 7.890 -9.311 -4.836 130 HG3 GLN 17 2HG GLN 17 8.595 -7.931 -3.992 131 HE21 GLN 17 2HE2 GLN 17 9.161 -11.018 -5.401 132 HE22 GLN 17 1HE2 GLN 17 10.879 -11.029 -5.221 133 H LEU 18 H LEU 18 6.453 -7.657 -0.372 134 HA LEU 18 HA LEU 18 5.589 -9.892 1.324 135 HB2 LEU 18 1HB LEU 18 6.797 -7.239 2.092 136 HB3 LEU 18 2HB LEU 18 6.384 -8.544 3.204 137 HG LEU 18 HG LEU 18 8.402 -8.897 1.003 138 HD11 LEU 18 1HD1 LEU 18 10.050 -8.595 2.963 139 HD12 LEU 18 2HD1 LEU 18 8.736 -7.697 3.723 140 HD13 LEU 18 3HD1 LEU 18 9.392 -7.159 2.176 141 HD21 LEU 18 3HD2 LEU 18 8.454 -10.318 3.609 142 HD22 LEU 18 1HD2 LEU 18 8.924 -10.876 2.004 143 HD23 LEU 18 2HD2 LEU 18 7.218 -10.779 2.439 144 H ALA 19 H ALA 19 3.713 -9.838 2.446 145 HA ALA 19 HA ALA 19 1.842 -7.707 1.784 146 HB1 ALA 19 3HB ALA 19 0.653 -9.611 1.534 147 HB2 ALA 19 1HB ALA 19 1.624 -10.502 2.709 148 HB3 ALA 19 2HB ALA 19 0.368 -9.393 3.261 149 H ASN 20 H ASN 20 3.376 -9.159 4.616 150 HA ASN 20 HA ASN 20 1.974 -7.567 6.519 151 HB2 ASN 20 1HB ASN 20 3.108 -9.782 6.981 152 HB3 ASN 20 2HB ASN 20 4.645 -8.924 6.914 153 HD21 ASN 20 2HD2 ASN 20 1.708 -9.416 8.692 154 HD22 ASN 20 1HD2 ASN 20 2.218 -8.639 10.148 155 H GLN 21 H GLN 21 4.641 -7.004 4.449 156 HA GLN 21 HA GLN 21 5.881 -4.952 6.028 157 HB2 GLN 21 1HB GLN 21 7.186 -6.229 4.409 158 HB3 GLN 21 2HB GLN 21 6.170 -5.642 3.099 159 HG2 GLN 21 1HG GLN 21 7.696 -4.055 2.825 160 HG3 GLN 21 2HG GLN 21 7.032 -3.324 4.285 161 HE21 GLN 21 2HE2 GLN 21 8.059 -3.797 6.303 162 HE22 GLN 21 1HE2 GLN 21 9.736 -4.211 6.348 163 H CYS 22 H CYS 22 3.683 -5.029 3.251 164 HA CYS 22 HA CYS 22 3.575 -2.263 2.793 165 HB2 CYS 22 1HB CYS 22 2.175 -4.624 1.884 166 HB3 CYS 22 2HB CYS 22 1.050 -3.292 2.131 167 H ASN 23 H ASN 23 1.110 -4.285 4.400 168 HA ASN 23 HA ASN 23 -0.454 -2.224 5.390 169 HB2 ASN 23 1HB ASN 23 -1.576 -3.830 6.609 170 HB3 ASN 23 2HB ASN 23 -0.762 -4.843 5.420 171 HD21 ASN 23 2HD2 ASN 23 -1.399 -4.443 8.630 172 HD22 ASN 23 1HD2 ASN 23 -0.144 -5.427 9.292 173 H TYR 24 H TYR 24 2.546 -3.529 6.602 174 HA TYR 24 HA TYR 24 2.424 -2.429 9.206 175 HB2 TYR 24 1HB TYR 24 3.987 -4.184 8.814 176 HB3 TYR 24 2HB TYR 24 4.732 -3.317 7.476 177 HD1 TYR 24 HD1 TYR 24 4.404 -3.475 11.142 178 HD2 TYR 24 HD2 TYR 24 6.408 -1.650 7.861 179 HE1 TYR 24 HE1 TYR 24 6.066 -2.530 12.690 180 HE2 TYR 24 HE2 TYR 24 8.077 -0.702 9.400 181 HH TYR 24 HH TYR 24 8.784 -0.577 11.500 182 H ASP 25 H ASP 25 4.019 -1.302 6.230 183 HA ASP 25 HA ASP 25 4.912 1.146 7.386 184 HB2 ASP 25 1HB ASP 25 6.176 0.430 5.543 185 HB3 ASP 25 2HB ASP 25 4.743 0.089 4.576 186 H CYS 26 H CYS 26 2.015 0.117 5.748 187 HA CYS 26 HA CYS 26 1.034 2.744 5.187 188 HB2 CYS 26 1HB CYS 26 -0.249 0.015 5.214 189 HB3 CYS 26 2HB CYS 26 -1.167 1.478 4.873 190 H LYS 27 H LYS 27 0.127 0.270 7.588 191 HA LYS 27 HA LYS 27 -1.679 1.937 8.991 192 HB2 LYS 27 1HB LYS 27 -0.218 -0.573 9.818 193 HB3 LYS 27 2HB LYS 27 -1.444 0.210 10.807 194 HG2 LYS 27 1HG LYS 27 -2.766 -0.040 8.458 195 HG3 LYS 27 2HG LYS 27 -1.728 -1.467 8.418 196 HD2 LYS 27 1HD LYS 27 -3.604 -0.701 10.655 197 HD3 LYS 27 2HD LYS 27 -3.880 -1.970 9.458 198 HE2 LYS 27 1HE LYS 27 -1.709 -3.003 10.282 199 HE3 LYS 27 2HE LYS 27 -1.808 -1.877 11.636 200 HZ1 LYS 27 3HZ LYS 27 -4.182 -2.858 11.865 201 HZ2 LYS 27 1HZ LYS 27 -2.858 -3.716 12.474 202 HZ3 LYS 27 2HZ LYS 27 -3.544 -4.159 10.993 203 H LEU 28 H LEU 28 1.679 1.958 8.824 204 HA LEU 28 HA LEU 28 2.200 2.851 11.510 205 HB2 LEU 28 1HB LEU 28 3.910 1.655 10.294 206 HB3 LEU 28 2HB LEU 28 3.895 2.871 9.018 207 HG LEU 28 HG LEU 28 5.810 2.862 10.767 208 HD11 LEU 28 1HD1 LEU 28 4.576 5.551 10.482 209 HD12 LEU 28 2HD1 LEU 28 5.005 4.662 9.021 210 HD13 LEU 28 3HD1 LEU 28 6.243 5.035 10.221 211 HD21 LEU 28 3HD2 LEU 28 3.910 2.919 12.600 212 HD22 LEU 28 1HD2 LEU 28 4.027 4.657 12.328 213 HD23 LEU 28 2HD2 LEU 28 5.449 3.747 12.841 214 H ASP 29 H ASP 29 2.588 4.449 8.341 215 HA ASP 29 HA ASP 29 2.359 7.046 9.660 216 HB2 ASP 29 1HB ASP 29 4.156 6.435 7.908 217 HB3 ASP 29 2HB ASP 29 2.865 6.623 6.725 218 H LYS 30 H LYS 30 0.926 5.332 6.885 219 HA LYS 30 HA LYS 30 -1.132 7.257 6.491 220 HB2 LYS 30 1HB LYS 30 -1.225 4.387 5.579 221 HB3 LYS 30 2HB LYS 30 -1.989 5.787 4.837 222 HG2 LYS 30 1HG LYS 30 0.765 6.331 4.887 223 HG3 LYS 30 2HG LYS 30 0.592 4.659 4.346 224 HD2 LYS 30 1HD LYS 30 0.493 5.942 2.381 225 HD3 LYS 30 2HD LYS 30 -1.188 5.541 2.743 226 HE2 LYS 30 1HE LYS 30 -0.977 7.856 4.085 227 HE3 LYS 30 2HE LYS 30 0.208 8.148 2.813 228 HZ1 LYS 30 3HZ LYS 30 -2.271 8.762 2.445 229 HZ2 LYS 30 1HZ LYS 30 -2.449 7.117 2.095 230 HZ3 LYS 30 2HZ LYS 30 -1.384 8.064 1.184 231 H HIS 31 H HIS 31 -0.679 4.912 8.838 232 HA HIS 31 HA HIS 31 -2.017 3.911 10.392 233 HB2 HIS 31 1HB HIS 31 -3.400 6.531 9.877 234 HB3 HIS 31 2HB HIS 31 -4.040 5.386 11.052 235 HD1 HIS 31 HD1 HIS 31 -1.011 4.561 11.949 236 HD2 HIS 31 HD2 HIS 31 -2.745 8.336 11.931 237 HE1 HIS 31 HE1 HIS 31 0.297 5.908 13.621 238 H ALA 32 H ALA 32 -2.509 3.278 7.549 239 HA ALA 32 HA ALA 32 -5.248 3.025 6.999 240 HB1 ALA 32 3HB ALA 32 -2.888 2.413 5.689 241 HB2 ALA 32 1HB ALA 32 -3.671 0.848 5.911 242 HB3 ALA 32 2HB ALA 32 -4.524 2.151 5.083 243 H ARG 33 H ARG 33 -5.678 0.348 6.422 244 HA ARG 33 HA ARG 33 -5.560 -0.983 9.040 245 HB2 ARG 33 1HB ARG 33 -7.811 0.166 8.442 246 HB3 ARG 33 2HB ARG 33 -8.009 -1.168 7.314 247 HG2 ARG 33 1HG ARG 33 -7.866 -2.765 9.131 248 HG3 ARG 33 2HG ARG 33 -7.581 -1.455 10.280 249 HD2 ARG 33 1HD ARG 33 -9.802 -0.501 9.555 250 HD3 ARG 33 2HD ARG 33 -10.076 -2.013 8.692 251 HE ARG 33 HE ARG 33 -10.269 -1.580 11.516 252 HH11 ARG 33 1HH1 ARG 33 -9.615 -3.945 9.047 253 HH12 ARG 33 2HH1 ARG 33 -10.077 -5.293 10.033 254 HH21 ARG 33 1HH2 ARG 33 -10.880 -3.345 12.824 255 HH22 ARG 33 2HH2 ARG 33 -10.797 -4.950 12.181 256 H SER 34 H SER 34 -6.035 -1.290 5.556 257 HA SER 34 HA SER 34 -4.967 -4.028 5.732 258 HB2 SER 34 1HB SER 34 -7.449 -3.962 5.256 259 HB3 SER 34 2HB SER 34 -7.065 -3.153 3.737 260 HG SER 34 HG SER 34 -7.111 -5.728 4.181 261 H GLY 35 H GLY 35 -3.446 -1.694 5.297 262 HA2 GLY 35 1HA GLY 35 -2.975 -0.918 2.695 263 HA3 GLY 35 2HA GLY 35 -1.727 -1.016 3.930 264 H GLU 36 H GLU 36 -2.496 -2.002 0.916 265 HA GLU 36 HA GLU 36 -0.522 -4.133 1.005 266 HB2 GLU 36 1HB GLU 36 -2.996 -5.004 1.279 267 HB3 GLU 36 2HB GLU 36 -3.053 -4.750 -0.460 268 HG2 GLU 36 1HG GLU 36 -1.454 -6.373 -0.881 269 HG3 GLU 36 2HG GLU 36 -0.836 -6.333 0.769 270 H CYS 37 H CYS 37 -0.029 -4.920 -1.268 271 HA CYS 37 HA CYS 37 -0.027 -2.593 -3.059 272 HB2 CYS 37 1HB CYS 37 1.960 -3.459 -4.042 273 HB3 CYS 37 2HB CYS 37 2.160 -3.620 -2.300 274 H PHE 38 H PHE 38 -0.364 -2.893 -5.325 275 HA PHE 38 HA PHE 38 -1.310 -5.375 -6.373 276 HB2 PHE 38 1HB PHE 38 -3.227 -4.078 -4.953 277 HB3 PHE 38 2HB PHE 38 -3.475 -3.372 -6.547 278 HD1 PHE 38 HD2 PHE 38 -2.685 -6.791 -5.267 279 HD2 PHE 38 HD1 PHE 38 -5.200 -4.351 -7.683 280 HE1 PHE 38 HE2 PHE 38 -3.958 -8.783 -5.946 281 HE2 PHE 38 HE1 PHE 38 -6.478 -6.339 -8.365 282 HZ PHE 38 HZ PHE 38 -5.858 -8.558 -7.496 283 H TYR 39 H TYR 39 -1.947 -5.199 -8.645 284 HA TYR 39 HA TYR 39 -0.250 -3.398 -10.048 285 HB2 TYR 39 1HB TYR 39 -1.057 -4.466 -12.052 286 HB3 TYR 39 2HB TYR 39 -0.816 -5.704 -10.825 287 HD1 TYR 39 HD1 TYR 39 -2.732 -6.822 -9.793 288 HD2 TYR 39 HD2 TYR 39 -3.268 -3.922 -12.859 289 HE1 TYR 39 HE1 TYR 39 -5.047 -7.592 -10.107 290 HE2 TYR 39 HE2 TYR 39 -5.585 -4.683 -13.182 291 HH TYR 39 HH TYR 39 -7.319 -5.854 -12.000 292 H ASP 40 H ASP 40 -0.670 -1.491 -10.987 293 HA ASP 40 HA ASP 40 -3.286 -0.299 -10.537 294 HB2 ASP 40 1HB ASP 40 -0.787 0.726 -10.295 295 HB3 ASP 40 2HB ASP 40 -1.195 1.267 -11.921 296 H GLU 41 H GLU 41 -3.721 1.428 -12.482 297 HA GLU 41 HA GLU 41 -4.713 -0.139 -14.601 298 HB2 GLU 41 1HB GLU 41 -5.421 1.935 -15.602 299 HB3 GLU 41 2HB GLU 41 -5.681 2.031 -13.866 300 HG2 GLU 41 1HG GLU 41 -3.308 3.145 -13.893 301 HG3 GLU 41 2HG GLU 41 -3.722 3.473 -15.574 302 H LYS 42 H LYS 42 -1.669 1.378 -14.081 303 HA LYS 42 HA LYS 42 -0.931 1.118 -16.906 304 HB2 LYS 42 1HB LYS 42 0.450 2.452 -14.574 305 HB3 LYS 42 2HB LYS 42 1.167 2.304 -16.173 306 HG2 LYS 42 1HG LYS 42 -1.510 3.589 -15.807 307 HG3 LYS 42 2HG LYS 42 -0.018 4.495 -15.544 308 HD2 LYS 42 1HD LYS 42 0.686 4.141 -17.792 309 HD3 LYS 42 2HD LYS 42 -0.607 2.972 -18.076 310 HE2 LYS 42 1HE LYS 42 -1.540 4.809 -19.053 311 HE3 LYS 42 2HE LYS 42 -2.122 5.033 -17.404 312 HZ1 LYS 42 3HZ LYS 42 0.414 6.247 -18.312 313 HZ2 LYS 42 1HZ LYS 42 -0.555 6.682 -16.995 314 HZ3 LYS 42 2HZ LYS 42 -1.070 7.018 -18.570 315 H ARG 43 H ARG 43 -1.310 -1.154 -15.016 316 HA ARG 43 HA ARG 43 -0.319 -3.125 -14.457 317 HB2 ARG 43 1HB ARG 43 1.157 -2.266 -16.914 318 HB3 ARG 43 2HB ARG 43 1.698 -3.696 -16.043 319 HG2 ARG 43 1HG ARG 43 -1.148 -3.356 -16.932 320 HG3 ARG 43 2HG ARG 43 0.093 -4.044 -17.982 321 HD2 ARG 43 1HD ARG 43 -0.413 -5.100 -15.216 322 HD3 ARG 43 2HD ARG 43 -1.336 -5.662 -16.610 323 HE ARG 43 HE ARG 43 1.376 -6.323 -15.952 324 HH11 ARG 43 1HH1 ARG 43 -0.930 -6.005 -18.540 325 HH12 ARG 43 2HH1 ARG 43 -0.107 -7.115 -19.585 326 HH21 ARG 43 1HH2 ARG 43 2.469 -7.788 -17.317 327 HH22 ARG 43 2HH2 ARG 43 1.826 -8.129 -18.888 328 H ASN 44 H ASN 44 0.636 -0.631 -13.183 329 HA ASN 44 HA ASN 44 3.415 -1.339 -12.561 330 HB2 ASN 44 1HB ASN 44 1.815 1.170 -12.026 331 HB3 ASN 44 2HB ASN 44 3.450 0.906 -11.423 332 HD21 ASN 44 2HD2 ASN 44 2.165 2.793 -13.418 333 HD22 ASN 44 1HD2 ASN 44 3.192 2.691 -14.805 334 H LEU 45 H LEU 45 3.878 -2.374 -10.741 335 HA LEU 45 HA LEU 45 1.799 -2.836 -8.777 336 HB2 LEU 45 1HB LEU 45 4.632 -3.791 -8.571 337 HB3 LEU 45 2HB LEU 45 3.173 -4.514 -7.898 338 HG LEU 45 HG LEU 45 2.629 -4.727 -10.529 339 HD11 LEU 45 1HD1 LEU 45 5.341 -3.982 -10.475 340 HD12 LEU 45 2HD1 LEU 45 4.395 -4.544 -11.853 341 HD13 LEU 45 3HD1 LEU 45 5.293 -5.701 -10.871 342 HD21 LEU 45 3HD2 LEU 45 2.842 -6.974 -10.199 343 HD22 LEU 45 1HD2 LEU 45 2.894 -6.427 -8.522 344 HD23 LEU 45 2HD2 LEU 45 4.390 -6.820 -9.368 345 H GLN 46 H GLN 46 1.474 -1.448 -7.177 346 HA GLN 46 HA GLN 46 3.807 -0.264 -5.845 347 HB2 GLN 46 1HB GLN 46 1.267 1.248 -6.478 348 HB3 GLN 46 2HB GLN 46 2.695 1.884 -5.670 349 HG2 GLN 46 1HG GLN 46 2.564 0.925 -8.521 350 HG3 GLN 46 2HG GLN 46 2.577 2.607 -7.990 351 HE21 GLN 46 2HE2 GLN 46 4.438 1.117 -9.706 352 HE22 GLN 46 1HE2 GLN 46 5.992 1.296 -8.974 353 H CYS 47 H CYS 47 3.211 0.667 -3.677 354 HA CYS 47 HA CYS 47 1.459 -1.230 -2.313 355 HB2 CYS 47 1HB CYS 47 3.828 -0.796 -1.542 356 HB3 CYS 47 2HB CYS 47 3.298 0.813 -1.063 357 H ILE 48 H ILE 48 -0.599 -0.639 -2.132 358 HA ILE 48 HA ILE 48 -1.246 2.200 -1.764 359 HB ILE 48 HB ILE 48 -3.120 -0.073 -2.426 360 HG12 ILE 48 1HG1 ILE 48 -3.032 1.515 -4.645 361 HG13 ILE 48 2HG1 ILE 48 -1.363 1.606 -4.094 362 HG21 ILE 48 1HG2 ILE 48 -3.530 2.912 -2.557 363 HG22 ILE 48 2HG2 ILE 48 -4.713 1.673 -2.973 364 HG23 ILE 48 3HG2 ILE 48 -4.168 1.846 -1.305 365 HD11 ILE 48 3HD1 ILE 48 -2.758 -0.541 -5.424 366 HD12 ILE 48 1HD1 ILE 48 -1.029 -0.289 -5.190 367 HD13 ILE 48 2HD1 ILE 48 -1.982 -1.085 -3.937 368 H CYS 49 H CYS 49 -2.428 2.934 -0.035 369 HA CYS 49 HA CYS 49 -2.854 0.997 2.147 370 HB2 CYS 49 1HB CYS 49 -2.365 3.949 2.524 371 HB3 CYS 49 2HB CYS 49 -2.286 2.672 3.734 372 H ASP 50 H ASP 50 -4.823 0.877 3.057 373 HA ASP 50 HA ASP 50 -6.840 2.845 2.194 374 HB2 ASP 50 1HB ASP 50 -7.076 0.496 1.268 375 HB3 ASP 50 2HB ASP 50 -7.399 -0.032 2.918 376 H TYR 51 H TYR 51 -7.756 3.992 3.757 377 HA TYR 51 HA TYR 51 -7.701 2.919 6.501 378 HB2 TYR 51 1HB TYR 51 -6.098 4.783 6.187 379 HB3 TYR 51 2HB TYR 51 -7.428 5.820 5.685 380 HD1 TYR 51 HD2 TYR 51 -7.349 3.350 8.466 381 HD2 TYR 51 HD1 TYR 51 -7.507 7.455 7.356 382 HE1 TYR 51 HE2 TYR 51 -7.748 3.963 10.814 383 HE2 TYR 51 HE1 TYR 51 -7.906 8.079 9.701 384 HH TYR 51 HH TYR 51 -8.883 5.987 12.020 385 H CYS 52 H CYS 52 -9.694 2.425 7.111 386 HA CYS 52 HA CYS 52 -11.898 4.201 6.287 387 HB2 CYS 52 1HB CYS 52 -11.715 1.645 5.526 388 HB3 CYS 52 2HB CYS 52 -12.473 1.394 7.095 389 H GLU 53 H GLU 53 -13.245 4.973 7.831 390 HA GLU 53 HA GLU 53 -12.644 4.203 10.609 391 HB2 GLU 53 1HB GLU 53 -12.147 6.572 9.926 392 HB3 GLU 53 2HB GLU 53 -13.871 6.795 9.660 393 HG2 GLU 53 1HG GLU 53 -14.365 6.546 11.942 394 HG3 GLU 53 2HG GLU 53 -12.768 5.889 12.298 395 H TYR 54 H TYR 54 -14.122 2.759 11.243 396 HA TYR 54 HA TYR 54 -16.839 2.839 10.283 397 HB2 TYR 54 1HB TYR 54 -15.359 0.769 10.942 398 HB3 TYR 54 2HB TYR 54 -15.965 1.103 12.561 399 HD1 TYR 54 HD2 TYR 54 -18.563 1.342 12.767 400 HD2 TYR 54 HD1 TYR 54 -16.595 -0.591 9.528 401 HE1 TYR 54 HE2 TYR 54 -20.631 0.114 12.250 402 HE2 TYR 54 HE1 TYR 54 -18.657 -1.824 9.002 403 HH TYR 54 HH TYR 54 -21.485 -1.077 9.741 Start of MODEL 9 1 H1 ASP 2 H ASP 2 -18.738 4.515 3.530 2 HA ASP 2 HA ASP 2 -16.773 4.723 1.675 3 HB2 ASP 2 1HB ASP 2 -17.398 6.969 3.598 4 HB3 ASP 2 2HB ASP 2 -16.862 7.105 1.924 5 H CYS 3 H CYS 3 -14.621 4.715 1.621 6 HA CYS 3 HA CYS 3 -13.139 5.285 4.096 7 HB2 CYS 3 1HB CYS 3 -12.311 3.094 2.200 8 HB3 CYS 3 2HB CYS 3 -11.738 3.396 3.838 9 H LYS 4 H LYS 4 -10.700 5.467 3.550 10 HA LYS 4 HA LYS 4 -10.427 7.007 1.050 11 HB2 LYS 4 1HB LYS 4 -10.250 8.627 2.717 12 HB3 LYS 4 2HB LYS 4 -9.413 7.543 3.821 13 HG2 LYS 4 1HG LYS 4 -7.384 7.995 2.948 14 HG3 LYS 4 2HG LYS 4 -8.007 8.172 1.306 15 HD2 LYS 4 1HD LYS 4 -8.773 10.221 3.320 16 HD3 LYS 4 2HD LYS 4 -7.121 10.246 2.701 17 HE2 LYS 4 1HE LYS 4 -8.178 11.617 1.191 18 HE3 LYS 4 2HE LYS 4 -8.307 10.059 0.378 19 HZ1 LYS 4 3HZ LYS 4 -10.459 10.972 2.168 20 HZ2 LYS 4 1HZ LYS 4 -10.538 9.886 0.874 21 HZ3 LYS 4 2HZ LYS 4 -10.382 11.545 0.578 22 H ARG 5 H ARG 5 -9.067 6.140 -0.359 23 HA ARG 5 HA ARG 5 -6.830 4.514 0.659 24 HB2 ARG 5 1HB ARG 5 -7.032 3.174 -1.440 25 HB3 ARG 5 2HB ARG 5 -8.409 3.018 -0.355 26 HG2 ARG 5 1HG ARG 5 -9.442 3.237 -2.391 27 HG3 ARG 5 2HG ARG 5 -9.431 4.908 -1.823 28 HD2 ARG 5 1HD ARG 5 -8.023 5.575 -3.441 29 HD3 ARG 5 2HD ARG 5 -7.033 4.121 -3.310 30 HE ARG 5 HE ARG 5 -9.457 3.427 -4.518 31 HH11 ARG 5 1HH1 ARG 5 -6.614 5.324 -5.183 32 HH12 ARG 5 2HH1 ARG 5 -6.714 5.108 -6.900 33 HH21 ARG 5 1HH2 ARG 5 -9.598 3.136 -6.776 34 HH22 ARG 5 2HH2 ARG 5 -8.411 3.864 -7.804 35 H LYS 6 H LYS 6 -4.863 4.653 -0.442 36 HA LYS 6 HA LYS 6 -4.590 6.425 -2.710 37 HB2 LYS 6 1HB LYS 6 -4.564 8.056 -0.927 38 HB3 LYS 6 2HB LYS 6 -3.384 7.112 -0.026 39 HG2 LYS 6 1HG LYS 6 -1.645 7.707 -1.418 40 HG3 LYS 6 2HG LYS 6 -2.717 8.095 -2.765 41 HD2 LYS 6 1HD LYS 6 -2.681 9.682 -0.207 42 HD3 LYS 6 2HD LYS 6 -1.632 10.058 -1.577 43 HE2 LYS 6 1HE LYS 6 -3.578 10.362 -3.005 44 HE3 LYS 6 2HE LYS 6 -4.645 9.922 -1.673 45 HZ1 LYS 6 3HZ LYS 6 -3.007 11.978 -0.770 46 HZ2 LYS 6 1HZ LYS 6 -4.669 12.039 -1.080 47 HZ3 LYS 6 2HZ LYS 6 -3.567 12.444 -2.296 48 H VAL 7 H VAL 7 -2.755 6.034 -3.888 49 HA VAL 7 HA VAL 7 -1.096 3.799 -2.947 50 HB VAL 7 HB VAL 7 -2.203 3.340 -5.043 51 HG11 VAL 7 1HG1 VAL 7 -2.619 4.919 -6.545 52 HG12 VAL 7 2HG1 VAL 7 -1.732 6.076 -5.551 53 HG13 VAL 7 3HG1 VAL 7 -0.893 5.163 -6.806 54 HG21 VAL 7 3HG2 VAL 7 0.344 2.837 -4.584 55 HG22 VAL 7 1HG2 VAL 7 -0.397 2.459 -6.139 56 HG23 VAL 7 2HG2 VAL 7 0.570 3.922 -5.956 57 H TYR 8 H TYR 8 1.101 3.940 -2.842 58 HA TYR 8 HA TYR 8 2.286 6.572 -3.445 59 HB2 TYR 8 1HB TYR 8 2.088 5.307 -0.950 60 HB3 TYR 8 2HB TYR 8 3.764 5.096 -1.444 61 HD1 TYR 8 HD2 TYR 8 4.644 7.437 -2.663 62 HD2 TYR 8 HD1 TYR 8 1.776 7.093 0.461 63 HE1 TYR 8 HE2 TYR 8 5.145 9.740 -1.958 64 HE2 TYR 8 HE1 TYR 8 2.268 9.396 1.173 65 HH TYR 8 HH TYR 8 3.461 11.606 -0.446 66 H GLU 9 H GLU 9 3.068 5.990 -5.462 67 HA GLU 9 HA GLU 9 4.467 3.609 -6.024 68 HB2 GLU 9 1HB GLU 9 5.022 4.589 -8.112 69 HB3 GLU 9 2HB GLU 9 3.429 5.203 -7.696 70 HG2 GLU 9 1HG GLU 9 4.706 7.216 -6.717 71 HG3 GLU 9 2HG GLU 9 6.056 6.626 -7.684 72 H ASN 10 H ASN 10 5.393 6.465 -4.386 73 HA ASN 10 HA ASN 10 8.144 6.545 -4.916 74 HB2 ASN 10 1HB ASN 10 6.931 8.358 -3.769 75 HB3 ASN 10 2HB ASN 10 6.696 7.314 -2.371 76 HD21 ASN 10 2HD2 ASN 10 7.933 8.028 -0.797 77 HD22 ASN 10 1HD2 ASN 10 9.595 8.480 -0.935 78 H TYR 11 H TYR 11 6.272 4.311 -3.126 79 HA TYR 11 HA TYR 11 8.366 3.400 -1.390 80 HB2 TYR 11 1HB TYR 11 5.591 2.513 -2.043 81 HB3 TYR 11 2HB TYR 11 6.677 1.359 -1.276 82 HD1 TYR 11 HD1 TYR 11 8.154 2.813 0.666 83 HD2 TYR 11 HD2 TYR 11 4.100 3.362 -0.507 84 HE1 TYR 11 HE1 TYR 11 7.659 3.803 2.862 85 HE2 TYR 11 HE2 TYR 11 3.595 4.356 1.687 86 HH TYR 11 HH TYR 11 6.126 4.762 4.147 87 HA PRO 12 HA PRO 12 10.487 0.581 -3.999 88 HB2 PRO 12 1HB PRO 12 11.094 -1.415 -2.262 89 HB3 PRO 12 2HB PRO 12 11.885 0.165 -2.224 90 HG2 PRO 12 1HG PRO 12 9.643 -0.872 -0.533 91 HG3 PRO 12 2HG PRO 12 11.066 0.070 -0.050 92 HD2 PRO 12 1HD PRO 12 8.626 1.191 -0.400 93 HD3 PRO 12 2HD PRO 12 10.135 2.063 -0.737 94 H VAL 13 H VAL 13 9.751 -0.774 -5.503 95 HA VAL 13 HA VAL 13 7.286 -2.153 -5.243 96 HB VAL 13 HB VAL 13 9.433 -2.550 -7.332 97 HG11 VAL 13 1HG1 VAL 13 6.699 -3.602 -6.970 98 HG12 VAL 13 2HG1 VAL 13 7.120 -3.056 -8.595 99 HG13 VAL 13 3HG1 VAL 13 8.086 -4.302 -7.804 100 HG21 VAL 13 3HG2 VAL 13 8.952 -0.467 -7.965 101 HG22 VAL 13 1HG2 VAL 13 7.358 -1.067 -8.423 102 HG23 VAL 13 2HG2 VAL 13 7.608 -0.357 -6.827 103 H SER 14 H SER 14 10.522 -2.973 -4.456 104 HA SER 14 HA SER 14 10.321 -5.797 -4.687 105 HB2 SER 14 1HB SER 14 12.192 -3.961 -3.202 106 HB3 SER 14 2HB SER 14 12.309 -5.713 -3.046 107 HG SER 14 HG SER 14 12.781 -5.874 -5.193 108 H LYS 15 H LYS 15 9.437 -3.494 -2.229 109 HA LYS 15 HA LYS 15 9.145 -5.390 -0.111 110 HB2 LYS 15 1HB LYS 15 8.501 -2.519 -0.531 111 HB3 LYS 15 2HB LYS 15 7.603 -3.365 0.721 112 HG2 LYS 15 1HG LYS 15 9.590 -2.217 1.590 113 HG3 LYS 15 2HG LYS 15 9.650 -3.962 1.847 114 HD2 LYS 15 1HD LYS 15 11.170 -4.240 0.010 115 HD3 LYS 15 2HD LYS 15 10.995 -2.544 -0.451 116 HE2 LYS 15 1HE LYS 15 12.083 -3.446 2.210 117 HE3 LYS 15 2HE LYS 15 13.098 -3.110 0.808 118 HZ1 LYS 15 3HZ LYS 15 11.186 -1.073 1.722 119 HZ2 LYS 15 1HZ LYS 15 12.655 -0.877 0.906 120 HZ3 LYS 15 2HZ LYS 15 12.646 -1.266 2.552 121 H CYS 16 H CYS 16 7.186 -4.369 -2.759 122 HA CYS 16 HA CYS 16 4.615 -4.823 -1.876 123 HB2 CYS 16 1HB CYS 16 4.982 -3.944 -4.076 124 HB3 CYS 16 2HB CYS 16 5.865 -5.386 -4.568 125 H GLN 17 H GLN 17 7.079 -7.153 -2.782 126 HA GLN 17 HA GLN 17 5.516 -9.449 -2.987 127 HB2 GLN 17 1HB GLN 17 8.323 -9.253 -1.881 128 HB3 GLN 17 2HB GLN 17 7.559 -10.700 -2.524 129 HG2 GLN 17 1HG GLN 17 7.393 -9.588 -4.724 130 HG3 GLN 17 2HG GLN 17 8.268 -8.210 -4.058 131 HE21 GLN 17 2HE2 GLN 17 9.135 -9.690 -6.263 132 HE22 GLN 17 1HE2 GLN 17 10.605 -10.494 -5.840 133 H LEU 18 H LEU 18 6.660 -7.723 -0.173 134 HA LEU 18 HA LEU 18 5.941 -9.817 1.673 135 HB2 LEU 18 1HB LEU 18 7.003 -7.040 1.902 136 HB3 LEU 18 2HB LEU 18 6.275 -7.799 3.316 137 HG LEU 18 HG LEU 18 8.835 -7.914 3.002 138 HD11 LEU 18 1HD1 LEU 18 7.086 -10.265 3.669 139 HD12 LEU 18 2HD1 LEU 18 7.826 -9.105 4.771 140 HD13 LEU 18 3HD1 LEU 18 8.833 -10.272 3.914 141 HD21 LEU 18 3HD2 LEU 18 8.735 -8.662 0.650 142 HD22 LEU 18 1HD2 LEU 18 8.000 -10.172 1.186 143 HD23 LEU 18 2HD2 LEU 18 9.643 -9.768 1.683 144 H ALA 19 H ALA 19 4.091 -10.031 2.806 145 HA ALA 19 HA ALA 19 1.867 -8.296 2.070 146 HB1 ALA 19 3HB ALA 19 2.142 -11.040 3.134 147 HB2 ALA 19 1HB ALA 19 0.709 -10.137 3.627 148 HB3 ALA 19 2HB ALA 19 1.043 -10.398 1.914 149 H ASN 20 H ASN 20 3.874 -9.075 4.811 150 HA ASN 20 HA ASN 20 2.161 -7.617 6.657 151 HB2 ASN 20 1HB ASN 20 4.528 -9.401 6.904 152 HB3 ASN 20 2HB ASN 20 4.311 -8.181 8.155 153 HD21 ASN 20 2HD2 ASN 20 2.279 -8.162 9.304 154 HD22 ASN 20 1HD2 ASN 20 1.416 -9.643 9.526 155 H GLN 21 H GLN 21 4.774 -7.007 4.576 156 HA GLN 21 HA GLN 21 5.910 -4.830 6.082 157 HB2 GLN 21 1HB GLN 21 7.239 -6.219 4.500 158 HB3 GLN 21 2HB GLN 21 6.305 -5.542 3.171 159 HG2 GLN 21 1HG GLN 21 8.092 -4.161 3.081 160 HG3 GLN 21 2HG GLN 21 7.122 -3.267 4.251 161 HE21 GLN 21 2HE2 GLN 21 10.048 -4.874 3.656 162 HE22 GLN 21 1HE2 GLN 21 10.718 -4.749 5.243 163 H CYS 22 H CYS 22 3.777 -5.179 3.278 164 HA CYS 22 HA CYS 22 3.555 -2.464 2.624 165 HB2 CYS 22 1HB CYS 22 2.542 -4.823 1.621 166 HB3 CYS 22 2HB CYS 22 1.101 -4.011 2.222 167 H ASN 23 H ASN 23 1.151 -4.447 4.366 168 HA ASN 23 HA ASN 23 -0.474 -2.360 5.205 169 HB2 ASN 23 1HB ASN 23 -1.554 -3.905 6.561 170 HB3 ASN 23 2HB ASN 23 -0.780 -4.952 5.375 171 HD21 ASN 23 2HD2 ASN 23 -1.465 -4.761 8.495 172 HD22 ASN 23 1HD2 ASN 23 -0.122 -5.606 9.179 173 H TYR 24 H TYR 24 2.553 -3.499 6.495 174 HA TYR 24 HA TYR 24 2.374 -2.245 9.034 175 HB2 TYR 24 1HB TYR 24 3.965 -3.999 8.786 176 HB3 TYR 24 2HB TYR 24 4.712 -3.221 7.395 177 HD1 TYR 24 HD1 TYR 24 4.147 -2.790 11.049 178 HD2 TYR 24 HD2 TYR 24 6.566 -1.831 7.683 179 HE1 TYR 24 HE1 TYR 24 5.782 -1.714 12.538 180 HE2 TYR 24 HE2 TYR 24 8.209 -0.753 9.162 181 HH TYR 24 HH TYR 24 7.782 -0.746 12.684 182 H ASP 25 H ASP 25 3.987 -1.299 6.007 183 HA ASP 25 HA ASP 25 4.877 1.214 6.983 184 HB2 ASP 25 1HB ASP 25 4.547 0.109 4.194 185 HB3 ASP 25 2HB ASP 25 5.185 1.720 4.509 186 H CYS 26 H CYS 26 1.914 0.093 5.556 187 HA CYS 26 HA CYS 26 0.919 2.711 4.911 188 HB2 CYS 26 1HB CYS 26 -0.306 -0.039 4.966 189 HB3 CYS 26 2HB CYS 26 -1.284 1.396 4.680 190 H LYS 27 H LYS 27 0.102 0.271 7.374 191 HA LYS 27 HA LYS 27 -1.707 1.951 8.775 192 HB2 LYS 27 1HB LYS 27 -0.216 -0.503 9.726 193 HB3 LYS 27 2HB LYS 27 -1.576 0.245 10.554 194 HG2 LYS 27 1HG LYS 27 -3.104 -0.510 9.021 195 HG3 LYS 27 2HG LYS 27 -1.911 -0.626 7.726 196 HD2 LYS 27 1HD LYS 27 -2.336 -2.851 8.266 197 HD3 LYS 27 2HD LYS 27 -0.859 -2.491 9.164 198 HE2 LYS 27 1HE LYS 27 -2.556 -1.841 11.060 199 HE3 LYS 27 2HE LYS 27 -3.644 -2.893 10.156 200 HZ1 LYS 27 3HZ LYS 27 -2.460 -4.729 10.688 201 HZ2 LYS 27 1HZ LYS 27 -2.038 -3.795 12.035 202 HZ3 LYS 27 2HZ LYS 27 -0.974 -3.921 10.725 203 H LEU 28 H LEU 28 1.654 1.945 8.573 204 HA LEU 28 HA LEU 28 2.204 2.872 11.241 205 HB2 LEU 28 1HB LEU 28 3.937 1.682 10.141 206 HB3 LEU 28 2HB LEU 28 3.841 2.723 8.722 207 HG LEU 28 HG LEU 28 4.564 4.052 11.259 208 HD11 LEU 28 1HD1 LEU 28 6.712 2.529 9.851 209 HD12 LEU 28 2HD1 LEU 28 5.764 1.750 11.116 210 HD13 LEU 28 3HD1 LEU 28 6.695 3.202 11.481 211 HD21 LEU 28 3HD2 LEU 28 6.381 4.633 9.240 212 HD22 LEU 28 1HD2 LEU 28 4.982 5.595 9.713 213 HD23 LEU 28 2HD2 LEU 28 4.842 4.422 8.404 214 H ASP 29 H ASP 29 2.584 4.423 8.047 215 HA ASP 29 HA ASP 29 2.392 7.039 9.329 216 HB2 ASP 29 1HB ASP 29 3.412 6.030 6.720 217 HB3 ASP 29 2HB ASP 29 2.803 7.682 6.771 218 H LYS 30 H LYS 30 0.887 5.273 6.629 219 HA LYS 30 HA LYS 30 -1.145 7.217 6.203 220 HB2 LYS 30 1HB LYS 30 -0.407 4.601 5.113 221 HB3 LYS 30 2HB LYS 30 -2.144 4.870 5.158 222 HG2 LYS 30 1HG LYS 30 -0.413 7.021 4.058 223 HG3 LYS 30 2HG LYS 30 -0.695 5.576 3.082 224 HD2 LYS 30 1HD LYS 30 -2.494 6.767 2.391 225 HD3 LYS 30 2HD LYS 30 -3.212 6.084 3.851 226 HE2 LYS 30 1HE LYS 30 -1.751 8.487 4.466 227 HE3 LYS 30 2HE LYS 30 -2.927 8.792 3.189 228 HZ1 LYS 30 3HZ LYS 30 -4.561 8.725 4.663 229 HZ2 LYS 30 1HZ LYS 30 -3.413 8.616 5.901 230 HZ3 LYS 30 2HZ LYS 30 -4.077 7.210 5.237 231 H HIS 31 H HIS 31 -0.690 4.948 8.626 232 HA HIS 31 HA HIS 31 -2.008 4.059 10.259 233 HB2 HIS 31 1HB HIS 31 -2.417 6.680 10.304 234 HB3 HIS 31 2HB HIS 31 -4.046 6.198 9.839 235 HD1 HIS 31 HD1 HIS 31 -1.560 5.029 12.488 236 HD2 HIS 31 HD2 HIS 31 -5.589 5.937 12.028 237 HE1 HIS 31 HE1 HIS 31 -2.593 4.672 14.753 238 H ALA 32 H ALA 32 -2.562 3.349 7.411 239 HA ALA 32 HA ALA 32 -5.315 3.028 6.974 240 HB1 ALA 32 3HB ALA 32 -4.664 2.114 5.047 241 HB2 ALA 32 1HB ALA 32 -3.016 2.480 5.560 242 HB3 ALA 32 2HB ALA 32 -3.700 0.882 5.861 243 H ARG 33 H ARG 33 -5.656 0.309 6.438 244 HA ARG 33 HA ARG 33 -5.407 -0.979 9.066 245 HB2 ARG 33 1HB ARG 33 -7.724 0.128 8.482 246 HB3 ARG 33 2HB ARG 33 -7.933 -1.317 7.502 247 HG2 ARG 33 1HG ARG 33 -7.306 -2.593 9.654 248 HG3 ARG 33 2HG ARG 33 -7.679 -1.073 10.470 249 HD2 ARG 33 1HD ARG 33 -9.919 -1.104 9.695 250 HD3 ARG 33 2HD ARG 33 -9.580 -2.409 8.559 251 HE ARG 33 HE ARG 33 -10.179 -2.659 11.356 252 HH11 ARG 33 1HH1 ARG 33 -8.612 -4.147 8.628 253 HH12 ARG 33 2HH1 ARG 33 -8.722 -5.751 9.273 254 HH21 ARG 33 1HH2 ARG 33 -10.330 -4.766 12.217 255 HH22 ARG 33 2HH2 ARG 33 -9.700 -6.102 11.315 256 H SER 34 H SER 34 -6.073 -1.338 5.616 257 HA SER 34 HA SER 34 -4.993 -4.075 5.776 258 HB2 SER 34 1HB SER 34 -7.221 -3.054 4.001 259 HB3 SER 34 2HB SER 34 -6.473 -4.643 3.845 260 HG SER 34 HG SER 34 -8.499 -4.331 5.197 261 H GLY 35 H GLY 35 -3.416 -1.783 5.357 262 HA2 GLY 35 1HA GLY 35 -2.926 -0.977 2.774 263 HA3 GLY 35 2HA GLY 35 -1.674 -1.151 3.996 264 H GLU 36 H GLU 36 -2.440 -2.002 0.961 265 HA GLU 36 HA GLU 36 -0.555 -4.202 0.977 266 HB2 GLU 36 1HB GLU 36 -3.040 -5.024 1.292 267 HB3 GLU 36 2HB GLU 36 -3.132 -4.737 -0.440 268 HG2 GLU 36 1HG GLU 36 -2.600 -7.067 0.115 269 HG3 GLU 36 2HG GLU 36 -1.343 -6.290 -0.845 270 H CYS 37 H CYS 37 -0.031 -4.914 -1.275 271 HA CYS 37 HA CYS 37 -0.103 -2.584 -3.060 272 HB2 CYS 37 1HB CYS 37 1.909 -3.389 -4.048 273 HB3 CYS 37 2HB CYS 37 2.116 -3.543 -2.307 274 H PHE 38 H PHE 38 -0.462 -2.874 -5.315 275 HA PHE 38 HA PHE 38 -1.299 -5.376 -6.394 276 HB2 PHE 38 1HB PHE 38 -3.261 -4.307 -4.915 277 HB3 PHE 38 2HB PHE 38 -3.555 -3.443 -6.420 278 HD1 PHE 38 HD2 PHE 38 -2.747 -6.938 -5.377 279 HD2 PHE 38 HD1 PHE 38 -5.136 -4.367 -7.785 280 HE1 PHE 38 HE2 PHE 38 -3.957 -8.892 -6.255 281 HE2 PHE 38 HE1 PHE 38 -6.350 -6.318 -8.668 282 HZ PHE 38 HZ PHE 38 -5.760 -8.584 -7.904 283 H TYR 39 H TYR 39 -2.040 -5.168 -8.652 284 HA TYR 39 HA TYR 39 -0.391 -3.441 -10.120 285 HB2 TYR 39 1HB TYR 39 -2.672 -5.251 -10.799 286 HB3 TYR 39 2HB TYR 39 -2.090 -4.127 -12.020 287 HD1 TYR 39 HD1 TYR 39 0.301 -4.263 -12.767 288 HD2 TYR 39 HD2 TYR 39 -1.471 -7.227 -10.281 289 HE1 TYR 39 HE1 TYR 39 2.109 -5.825 -13.351 290 HE2 TYR 39 HE2 TYR 39 0.332 -8.796 -10.858 291 HH TYR 39 HH TYR 39 2.174 -8.653 -13.333 292 H ASP 40 H ASP 40 -0.680 -1.475 -11.019 293 HA ASP 40 HA ASP 40 -3.150 -0.052 -10.327 294 HB2 ASP 40 1HB ASP 40 -1.757 1.996 -10.914 295 HB3 ASP 40 2HB ASP 40 -1.255 1.097 -9.486 296 H GLU 41 H GLU 41 -3.337 1.937 -12.053 297 HA GLU 41 HA GLU 41 -4.393 0.739 -14.379 298 HB2 GLU 41 1HB GLU 41 -4.927 2.951 -15.104 299 HB3 GLU 41 2HB GLU 41 -5.153 2.903 -13.361 300 HG2 GLU 41 1HG GLU 41 -4.040 4.869 -13.540 301 HG3 GLU 41 2HG GLU 41 -2.667 3.778 -13.362 302 H LYS 42 H LYS 42 -1.241 1.820 -13.578 303 HA LYS 42 HA LYS 42 -0.407 2.003 -16.371 304 HB2 LYS 42 1HB LYS 42 1.149 2.445 -13.816 305 HB3 LYS 42 2HB LYS 42 1.771 2.704 -15.440 306 HG2 LYS 42 1HG LYS 42 -0.101 4.373 -15.751 307 HG3 LYS 42 2HG LYS 42 -0.381 4.239 -14.014 308 HD2 LYS 42 1HD LYS 42 2.338 4.870 -15.123 309 HD3 LYS 42 2HD LYS 42 1.136 6.134 -14.849 310 HE2 LYS 42 1HE LYS 42 0.962 5.348 -12.486 311 HE3 LYS 42 2HE LYS 42 2.306 4.253 -12.804 312 HZ1 LYS 42 3HZ LYS 42 3.609 5.936 -12.212 313 HZ2 LYS 42 1HZ LYS 42 2.343 7.057 -12.258 314 HZ3 LYS 42 2HZ LYS 42 3.194 6.684 -13.671 315 H ARG 43 H ARG 43 -1.193 -0.523 -14.839 316 HA ARG 43 HA ARG 43 -0.557 -2.704 -14.727 317 HB2 ARG 43 1HB ARG 43 1.124 -1.714 -17.020 318 HB3 ARG 43 2HB ARG 43 1.160 -3.394 -16.505 319 HG2 ARG 43 1HG ARG 43 -0.416 -3.528 -18.136 320 HG3 ARG 43 2HG ARG 43 -1.456 -3.164 -16.757 321 HD2 ARG 43 1HD ARG 43 -1.344 -0.767 -17.360 322 HD3 ARG 43 2HD ARG 43 -0.397 -1.197 -18.783 323 HE ARG 43 HE ARG 43 -2.901 -2.585 -18.635 324 HH11 ARG 43 1HH1 ARG 43 -1.345 0.372 -19.611 325 HH12 ARG 43 2HH1 ARG 43 -2.547 0.767 -20.793 326 HH21 ARG 43 1HH2 ARG 43 -4.490 -2.075 -20.189 327 HH22 ARG 43 2HH2 ARG 43 -4.337 -0.625 -21.121 328 H ASN 44 H ASN 44 0.892 -0.644 -13.126 329 HA ASN 44 HA ASN 44 3.439 -2.059 -12.715 330 HB2 ASN 44 1HB ASN 44 2.590 0.778 -12.322 331 HB3 ASN 44 2HB ASN 44 3.843 0.125 -11.271 332 HD21 ASN 44 2HD2 ASN 44 3.853 2.167 -13.452 333 HD22 ASN 44 1HD2 ASN 44 5.118 1.665 -14.515 334 H LEU 45 H LEU 45 4.162 -2.330 -10.484 335 HA LEU 45 HA LEU 45 1.897 -2.957 -8.728 336 HB2 LEU 45 1HB LEU 45 4.753 -3.852 -8.418 337 HB3 LEU 45 2HB LEU 45 3.326 -4.501 -7.612 338 HG LEU 45 HG LEU 45 3.581 -4.683 -10.589 339 HD11 LEU 45 1HD1 LEU 45 5.673 -5.570 -9.822 340 HD12 LEU 45 2HD1 LEU 45 4.621 -6.914 -10.268 341 HD13 LEU 45 3HD1 LEU 45 4.867 -6.512 -8.569 342 HD21 LEU 45 3HD2 LEU 45 1.508 -5.444 -10.044 343 HD22 LEU 45 1HD2 LEU 45 1.994 -5.944 -8.423 344 HD23 LEU 45 2HD2 LEU 45 2.415 -6.940 -9.816 345 H GLN 46 H GLN 46 1.454 -1.559 -7.169 346 HA GLN 46 HA GLN 46 3.677 -0.201 -5.812 347 HB2 GLN 46 1HB GLN 46 1.060 1.131 -6.519 348 HB3 GLN 46 2HB GLN 46 2.449 1.878 -5.743 349 HG2 GLN 46 1HG GLN 46 3.719 1.821 -7.712 350 HG3 GLN 46 2HG GLN 46 2.620 0.682 -8.486 351 HE21 GLN 46 2HE2 GLN 46 3.566 3.291 -9.393 352 HE22 GLN 46 1HE2 GLN 46 2.151 4.245 -9.661 353 H CYS 47 H CYS 47 3.124 0.595 -3.653 354 HA CYS 47 HA CYS 47 1.340 -1.285 -2.310 355 HB2 CYS 47 1HB CYS 47 3.720 -0.872 -1.544 356 HB3 CYS 47 2HB CYS 47 3.191 0.727 -1.029 357 H ILE 48 H ILE 48 -0.712 -0.668 -2.143 358 HA ILE 48 HA ILE 48 -1.342 2.170 -1.779 359 HB ILE 48 HB ILE 48 -3.224 -0.121 -2.351 360 HG12 ILE 48 1HG1 ILE 48 -3.228 1.422 -4.590 361 HG13 ILE 48 2HG1 ILE 48 -1.549 1.584 -4.088 362 HG21 ILE 48 1HG2 ILE 48 -4.332 1.719 -1.246 363 HG22 ILE 48 2HG2 ILE 48 -3.632 2.865 -2.387 364 HG23 ILE 48 3HG2 ILE 48 -4.809 1.675 -2.943 365 HD11 ILE 48 3HD1 ILE 48 -2.859 -0.602 -5.396 366 HD12 ILE 48 1HD1 ILE 48 -1.141 -0.339 -5.096 367 HD13 ILE 48 2HD1 ILE 48 -2.137 -1.138 -3.879 368 H CYS 49 H CYS 49 -2.599 2.921 -0.077 369 HA CYS 49 HA CYS 49 -2.906 1.051 2.181 370 HB2 CYS 49 1HB CYS 49 -2.489 4.023 2.464 371 HB3 CYS 49 2HB CYS 49 -2.345 2.782 3.705 372 H ASP 50 H ASP 50 -4.873 0.856 3.056 373 HA ASP 50 HA ASP 50 -6.951 2.754 2.184 374 HB2 ASP 50 1HB ASP 50 -7.135 -0.195 2.809 375 HB3 ASP 50 2HB ASP 50 -8.546 0.839 2.609 376 H TYR 51 H TYR 51 -7.622 4.058 3.742 377 HA TYR 51 HA TYR 51 -7.547 3.089 6.523 378 HB2 TYR 51 1HB TYR 51 -6.038 4.985 6.094 379 HB3 TYR 51 2HB TYR 51 -7.398 5.936 5.509 380 HD1 TYR 51 HD2 TYR 51 -7.170 3.710 8.489 381 HD2 TYR 51 HD1 TYR 51 -7.619 7.682 7.032 382 HE1 TYR 51 HE2 TYR 51 -7.600 4.494 10.780 383 HE2 TYR 51 HE1 TYR 51 -8.049 8.478 9.320 384 HH TYR 51 HH TYR 51 -7.847 7.903 11.538 385 H CYS 52 H CYS 52 -9.494 2.542 7.228 386 HA CYS 52 HA CYS 52 -11.792 4.216 6.449 387 HB2 CYS 52 1HB CYS 52 -11.566 1.705 5.617 388 HB3 CYS 52 2HB CYS 52 -12.202 1.363 7.222 389 H GLU 53 H GLU 53 -13.208 4.823 8.032 390 HA GLU 53 HA GLU 53 -12.359 4.251 10.785 391 HB2 GLU 53 1HB GLU 53 -13.677 6.571 9.459 392 HB3 GLU 53 2HB GLU 53 -14.065 6.260 11.146 393 HG2 GLU 53 1HG GLU 53 -11.331 6.758 9.994 394 HG3 GLU 53 2HG GLU 53 -12.275 7.862 10.992 395 H TYR 54 H TYR 54 -13.422 2.511 11.521 396 HA TYR 54 HA TYR 54 -16.255 2.172 10.887 397 HB2 TYR 54 1HB TYR 54 -14.548 0.282 10.708 398 HB3 TYR 54 2HB TYR 54 -14.525 0.273 12.468 399 HD1 TYR 54 HD2 TYR 54 -16.723 -0.145 13.688 400 HD2 TYR 54 HD1 TYR 54 -16.212 -0.874 9.527 401 HE1 TYR 54 HE2 TYR 54 -18.690 -1.622 13.711 402 HE2 TYR 54 HE1 TYR 54 -18.178 -2.352 9.538 403 HH TYR 54 HH TYR 54 -20.452 -2.370 11.667 Start of MODEL 10 1 H1 ASP 2 H ASP 2 -18.498 4.124 3.334 2 HA ASP 2 HA ASP 2 -16.376 4.057 1.728 3 HB2 ASP 2 1HB ASP 2 -18.305 5.865 2.037 4 HB3 ASP 2 2HB ASP 2 -16.994 6.780 2.774 5 H CYS 3 H CYS 3 -14.230 4.213 1.824 6 HA CYS 3 HA CYS 3 -13.023 5.421 4.226 7 HB2 CYS 3 1HB CYS 3 -11.815 3.095 2.737 8 HB3 CYS 3 2HB CYS 3 -11.383 3.711 4.328 9 H LYS 4 H LYS 4 -10.584 5.827 3.807 10 HA LYS 4 HA LYS 4 -10.335 7.097 1.160 11 HB2 LYS 4 1HB LYS 4 -10.322 8.861 2.689 12 HB3 LYS 4 2HB LYS 4 -9.419 7.944 3.888 13 HG2 LYS 4 1HG LYS 4 -7.401 8.388 2.918 14 HG3 LYS 4 2HG LYS 4 -8.093 8.570 1.304 15 HD2 LYS 4 1HD LYS 4 -8.990 10.725 1.868 16 HD3 LYS 4 2HD LYS 4 -8.518 10.530 3.557 17 HE2 LYS 4 1HE LYS 4 -6.134 10.368 2.746 18 HE3 LYS 4 2HE LYS 4 -6.725 10.867 1.162 19 HZ1 LYS 4 3HZ LYS 4 -7.791 12.751 2.710 20 HZ2 LYS 4 1HZ LYS 4 -6.278 12.902 1.966 21 HZ3 LYS 4 2HZ LYS 4 -6.380 12.424 3.585 22 H ARG 5 H ARG 5 -8.940 6.122 -0.141 23 HA ARG 5 HA ARG 5 -6.571 4.836 1.049 24 HB2 ARG 5 1HB ARG 5 -6.660 3.226 -0.858 25 HB3 ARG 5 2HB ARG 5 -8.021 3.098 0.249 26 HG2 ARG 5 1HG ARG 5 -9.066 2.970 -1.789 27 HG3 ARG 5 2HG ARG 5 -9.193 4.694 -1.439 28 HD2 ARG 5 1HD ARG 5 -7.640 5.271 -3.024 29 HD3 ARG 5 2HD ARG 5 -6.807 3.720 -2.925 30 HE ARG 5 HE ARG 5 -9.001 4.401 -4.646 31 HH11 ARG 5 1HH1 ARG 5 -7.349 1.802 -3.024 32 HH12 ARG 5 2HH1 ARG 5 -7.889 0.589 -4.137 33 HH21 ARG 5 1HH2 ARG 5 -9.718 2.814 -6.119 34 HH22 ARG 5 2HH2 ARG 5 -9.236 1.166 -5.898 35 H LYS 6 H LYS 6 -4.712 4.667 -0.441 36 HA LYS 6 HA LYS 6 -4.597 6.315 -2.771 37 HB2 LYS 6 1HB LYS 6 -4.543 8.109 -1.147 38 HB3 LYS 6 2HB LYS 6 -3.268 7.302 -0.243 39 HG2 LYS 6 1HG LYS 6 -1.661 7.758 -1.876 40 HG3 LYS 6 2HG LYS 6 -2.880 8.133 -3.096 41 HD2 LYS 6 1HD LYS 6 -1.964 10.207 -2.407 42 HD3 LYS 6 2HD LYS 6 -3.551 10.090 -1.645 43 HE2 LYS 6 1HE LYS 6 -2.564 9.466 0.449 44 HE3 LYS 6 2HE LYS 6 -0.968 9.340 -0.287 45 HZ1 LYS 6 3HZ LYS 6 -2.544 11.846 -0.061 46 HZ2 LYS 6 1HZ LYS 6 -0.981 11.703 -0.691 47 HZ3 LYS 6 2HZ LYS 6 -1.260 11.411 0.951 48 H VAL 7 H VAL 7 -2.662 6.065 -3.926 49 HA VAL 7 HA VAL 7 -0.987 3.850 -2.965 50 HB VAL 7 HB VAL 7 -2.075 3.408 -5.089 51 HG11 VAL 7 1HG1 VAL 7 -2.374 4.947 -6.665 52 HG12 VAL 7 2HG1 VAL 7 -1.630 6.122 -5.578 53 HG13 VAL 7 3HG1 VAL 7 -0.642 5.265 -6.761 54 HG21 VAL 7 3HG2 VAL 7 0.296 2.652 -4.621 55 HG22 VAL 7 1HG2 VAL 7 -0.191 2.677 -6.316 56 HG23 VAL 7 2HG2 VAL 7 0.824 3.967 -5.669 57 H TYR 8 H TYR 8 1.171 4.070 -2.702 58 HA TYR 8 HA TYR 8 2.329 6.715 -3.297 59 HB2 TYR 8 1HB TYR 8 2.174 5.301 -0.845 60 HB3 TYR 8 2HB TYR 8 3.863 5.289 -1.339 61 HD1 TYR 8 HD2 TYR 8 4.588 7.731 -2.357 62 HD2 TYR 8 HD1 TYR 8 1.591 7.010 0.577 63 HE1 TYR 8 HE2 TYR 8 4.850 10.033 -1.532 64 HE2 TYR 8 HE1 TYR 8 1.843 9.310 1.409 65 HH TYR 8 HH TYR 8 4.281 11.498 0.050 66 H GLU 9 H GLU 9 3.058 6.113 -5.358 67 HA GLU 9 HA GLU 9 4.566 3.801 -5.911 68 HB2 GLU 9 1HB GLU 9 5.039 4.776 -8.019 69 HB3 GLU 9 2HB GLU 9 3.425 5.318 -7.585 70 HG2 GLU 9 1HG GLU 9 4.436 7.444 -6.768 71 HG3 GLU 9 2HG GLU 9 5.978 6.896 -7.421 72 H ASN 10 H ASN 10 5.377 6.720 -4.324 73 HA ASN 10 HA ASN 10 8.113 6.922 -4.902 74 HB2 ASN 10 1HB ASN 10 6.413 8.448 -3.502 75 HB3 ASN 10 2HB ASN 10 7.189 7.612 -2.160 76 HD21 ASN 10 2HD2 ASN 10 7.603 9.851 -4.770 77 HD22 ASN 10 1HD2 ASN 10 9.156 10.439 -4.293 78 H TYR 11 H TYR 11 6.376 4.633 -3.049 79 HA TYR 11 HA TYR 11 8.597 3.844 -1.385 80 HB2 TYR 11 1HB TYR 11 5.781 2.933 -1.766 81 HB3 TYR 11 2HB TYR 11 6.928 1.811 -1.041 82 HD1 TYR 11 HD1 TYR 11 8.569 3.396 0.682 83 HD2 TYR 11 HD2 TYR 11 4.412 3.805 -0.127 84 HE1 TYR 11 HE1 TYR 11 8.256 4.481 2.867 85 HE2 TYR 11 HE2 TYR 11 4.088 4.893 2.054 86 HH TYR 11 HH TYR 11 6.703 5.128 4.396 87 HA PRO 12 HA PRO 12 10.511 0.925 -4.047 88 HB2 PRO 12 1HB PRO 12 11.328 -0.954 -2.267 89 HB3 PRO 12 2HB PRO 12 12.087 0.637 -2.399 90 HG2 PRO 12 1HG PRO 12 10.045 -0.331 -0.435 91 HG3 PRO 12 2HG PRO 12 11.490 0.658 -0.152 92 HD2 PRO 12 1HD PRO 12 9.006 1.722 -0.319 93 HD3 PRO 12 2HD PRO 12 10.456 2.593 -0.855 94 H VAL 13 H VAL 13 9.598 -0.476 -5.399 95 HA VAL 13 HA VAL 13 7.229 -1.907 -4.777 96 HB VAL 13 HB VAL 13 9.083 -2.402 -7.108 97 HG11 VAL 13 1HG1 VAL 13 6.890 -3.040 -8.201 98 HG12 VAL 13 2HG1 VAL 13 7.497 -4.148 -6.968 99 HG13 VAL 13 3HG1 VAL 13 6.189 -3.028 -6.583 100 HG21 VAL 13 3HG2 VAL 13 7.269 -0.165 -6.504 101 HG22 VAL 13 1HG2 VAL 13 8.662 -0.240 -7.582 102 HG23 VAL 13 2HG2 VAL 13 7.100 -0.862 -8.115 103 H SER 14 H SER 14 10.519 -2.578 -4.247 104 HA SER 14 HA SER 14 10.577 -5.374 -4.496 105 HB2 SER 14 1HB SER 14 12.148 -3.744 -2.491 106 HB3 SER 14 2HB SER 14 12.589 -5.305 -3.184 107 HG SER 14 HG SER 14 13.447 -4.272 -4.787 108 H LYS 15 H LYS 15 9.337 -3.283 -2.004 109 HA LYS 15 HA LYS 15 9.100 -5.351 -0.020 110 HB2 LYS 15 1HB LYS 15 7.715 -2.666 -0.086 111 HB3 LYS 15 2HB LYS 15 7.970 -3.693 1.319 112 HG2 LYS 15 1HG LYS 15 10.126 -2.319 -0.273 113 HG3 LYS 15 2HG LYS 15 9.508 -1.806 1.299 114 HD2 LYS 15 1HD LYS 15 10.290 -4.573 1.384 115 HD3 LYS 15 2HD LYS 15 11.620 -3.578 0.787 116 HE2 LYS 15 1HE LYS 15 10.730 -2.069 2.856 117 HE3 LYS 15 2HE LYS 15 10.382 -3.692 3.453 118 HZ1 LYS 15 3HZ LYS 15 12.528 -3.361 4.161 119 HZ2 LYS 15 1HZ LYS 15 12.977 -2.477 2.790 120 HZ3 LYS 15 2HZ LYS 15 12.796 -4.156 2.692 121 H CYS 16 H CYS 16 7.273 -4.321 -2.716 122 HA CYS 16 HA CYS 16 4.656 -4.817 -2.011 123 HB2 CYS 16 1HB CYS 16 5.292 -3.935 -4.199 124 HB3 CYS 16 2HB CYS 16 6.024 -5.479 -4.626 125 H GLN 17 H GLN 17 7.197 -7.118 -2.800 126 HA GLN 17 HA GLN 17 5.661 -9.428 -3.061 127 HB2 GLN 17 1HB GLN 17 8.423 -9.243 -1.850 128 HB3 GLN 17 2HB GLN 17 7.692 -10.663 -2.586 129 HG2 GLN 17 1HG GLN 17 8.573 -8.132 -3.941 130 HG3 GLN 17 2HG GLN 17 9.219 -9.759 -4.151 131 HE21 GLN 17 2HE2 GLN 17 7.667 -7.578 -5.791 132 HE22 GLN 17 1HE2 GLN 17 6.552 -8.534 -6.699 133 H LEU 18 H LEU 18 6.734 -7.712 -0.209 134 HA LEU 18 HA LEU 18 5.946 -9.814 1.602 135 HB2 LEU 18 1HB LEU 18 7.035 -7.051 1.888 136 HB3 LEU 18 2HB LEU 18 6.280 -7.830 3.277 137 HG LEU 18 HG LEU 18 8.833 -7.962 3.030 138 HD11 LEU 18 1HD1 LEU 18 8.275 -10.693 3.423 139 HD12 LEU 18 2HD1 LEU 18 6.880 -9.795 4.018 140 HD13 LEU 18 3HD1 LEU 18 8.489 -9.439 4.644 141 HD21 LEU 18 3HD2 LEU 18 8.819 -8.599 0.651 142 HD22 LEU 18 1HD2 LEU 18 8.044 -10.124 1.081 143 HD23 LEU 18 2HD2 LEU 18 9.674 -9.769 1.657 144 H ALA 19 H ALA 19 4.061 -10.021 2.667 145 HA ALA 19 HA ALA 19 1.891 -8.225 1.914 146 HB1 ALA 19 3HB ALA 19 0.683 -10.106 3.418 147 HB2 ALA 19 1HB ALA 19 0.990 -10.278 1.689 148 HB3 ALA 19 2HB ALA 19 2.091 -11.007 2.858 149 H ASN 20 H ASN 20 3.803 -9.118 4.687 150 HA ASN 20 HA ASN 20 2.066 -7.681 6.526 151 HB2 ASN 20 1HB ASN 20 3.546 -8.475 8.273 152 HB3 ASN 20 2HB ASN 20 3.143 -9.818 7.207 153 HD21 ASN 20 2HD2 ASN 20 5.388 -9.593 8.974 154 HD22 ASN 20 1HD2 ASN 20 6.811 -9.685 7.997 155 H GLN 21 H GLN 21 4.787 -7.087 4.563 156 HA GLN 21 HA GLN 21 5.925 -4.981 6.148 157 HB2 GLN 21 1HB GLN 21 7.215 -6.352 4.495 158 HB3 GLN 21 2HB GLN 21 6.335 -5.540 3.207 159 HG2 GLN 21 1HG GLN 21 8.248 -4.300 3.268 160 HG3 GLN 21 2HG GLN 21 7.223 -3.376 4.366 161 HE21 GLN 21 2HE2 GLN 21 8.835 -2.504 5.581 162 HE22 GLN 21 1HE2 GLN 21 9.872 -3.431 6.606 163 H CYS 22 H CYS 22 3.843 -5.154 3.285 164 HA CYS 22 HA CYS 22 3.676 -2.403 2.775 165 HB2 CYS 22 1HB CYS 22 2.376 -4.811 1.861 166 HB3 CYS 22 2HB CYS 22 1.190 -3.527 2.077 167 H ASN 23 H ASN 23 1.197 -4.440 4.342 168 HA ASN 23 HA ASN 23 -0.426 -2.387 5.249 169 HB2 ASN 23 1HB ASN 23 -1.558 -3.988 6.476 170 HB3 ASN 23 2HB ASN 23 -0.720 -4.998 5.301 171 HD21 ASN 23 2HD2 ASN 23 -1.435 -4.645 8.485 172 HD22 ASN 23 1HD2 ASN 23 -0.171 -5.600 9.173 173 H TYR 24 H TYR 24 2.580 -3.571 6.526 174 HA TYR 24 HA TYR 24 2.354 -2.458 9.128 175 HB2 TYR 24 1HB TYR 24 3.960 -4.185 8.817 176 HB3 TYR 24 2HB TYR 24 4.719 -3.336 7.474 177 HD1 TYR 24 HD1 TYR 24 3.818 -2.383 10.980 178 HD2 TYR 24 HD2 TYR 24 6.852 -2.657 8.009 179 HE1 TYR 24 HE1 TYR 24 5.427 -1.370 12.539 180 HE2 TYR 24 HE2 TYR 24 8.470 -1.644 9.561 181 HH TYR 24 HH TYR 24 8.838 -1.150 11.773 182 H ASP 25 H ASP 25 3.990 -1.340 6.174 183 HA ASP 25 HA ASP 25 4.854 1.122 7.296 184 HB2 ASP 25 1HB ASP 25 5.737 -0.113 5.202 185 HB3 ASP 25 2HB ASP 25 4.415 0.683 4.354 186 H CYS 26 H CYS 26 1.941 0.076 5.685 187 HA CYS 26 HA CYS 26 0.932 2.717 5.207 188 HB2 CYS 26 1HB CYS 26 -0.322 -0.025 5.106 189 HB3 CYS 26 2HB CYS 26 -1.239 1.446 4.795 190 H LYS 27 H LYS 27 0.049 0.120 7.482 191 HA LYS 27 HA LYS 27 -1.796 1.694 8.944 192 HB2 LYS 27 1HB LYS 27 -0.318 -0.843 9.649 193 HB3 LYS 27 2HB LYS 27 -1.547 -0.121 10.678 194 HG2 LYS 27 1HG LYS 27 -2.854 -0.257 8.299 195 HG3 LYS 27 2HG LYS 27 -1.826 -1.691 8.225 196 HD2 LYS 27 1HD LYS 27 -3.730 -0.982 10.457 197 HD3 LYS 27 2HD LYS 27 -3.993 -2.214 9.221 198 HE2 LYS 27 1HE LYS 27 -1.638 -3.055 10.147 199 HE3 LYS 27 2HE LYS 27 -2.222 -2.243 11.599 200 HZ1 LYS 27 3HZ LYS 27 -2.781 -4.741 11.130 201 HZ2 LYS 27 1HZ LYS 27 -4.034 -4.075 10.209 202 HZ3 LYS 27 2HZ LYS 27 -3.917 -3.721 11.858 203 H LEU 28 H LEU 28 1.560 1.768 8.810 204 HA LEU 28 HA LEU 28 2.050 2.522 11.542 205 HB2 LEU 28 1HB LEU 28 3.848 1.473 10.450 206 HB3 LEU 28 2HB LEU 28 3.707 2.520 9.040 207 HG LEU 28 HG LEU 28 4.356 3.914 11.543 208 HD11 LEU 28 1HD1 LEU 28 6.198 1.850 10.366 209 HD12 LEU 28 2HD1 LEU 28 5.683 2.030 12.044 210 HD13 LEU 28 3HD1 LEU 28 6.776 3.213 11.326 211 HD21 LEU 28 3HD2 LEU 28 5.050 4.003 8.657 212 HD22 LEU 28 1HD2 LEU 28 6.205 4.677 9.806 213 HD23 LEU 28 2HD2 LEU 28 4.555 5.300 9.746 214 H ASP 29 H ASP 29 2.437 4.298 8.470 215 HA ASP 29 HA ASP 29 2.151 6.813 9.928 216 HB2 ASP 29 1HB ASP 29 3.440 5.970 7.438 217 HB3 ASP 29 2HB ASP 29 2.545 7.478 7.281 218 H LYS 30 H LYS 30 0.778 5.226 7.051 219 HA LYS 30 HA LYS 30 -1.307 7.139 6.731 220 HB2 LYS 30 1HB LYS 30 -1.387 4.324 5.673 221 HB3 LYS 30 2HB LYS 30 -2.098 5.774 4.975 222 HG2 LYS 30 1HG LYS 30 0.826 5.076 5.113 223 HG3 LYS 30 2HG LYS 30 -0.194 5.130 3.674 224 HD2 LYS 30 1HD LYS 30 0.501 7.483 5.434 225 HD3 LYS 30 2HD LYS 30 1.217 7.127 3.861 226 HE2 LYS 30 1HE LYS 30 -1.213 7.170 2.997 227 HE3 LYS 30 2HE LYS 30 -1.578 7.997 4.510 228 HZ1 LYS 30 3HZ LYS 30 0.095 8.906 2.262 229 HZ2 LYS 30 1HZ LYS 30 0.354 9.527 3.816 230 HZ3 LYS 30 2HZ LYS 30 -1.149 9.725 3.065 231 H HIS 31 H HIS 31 -0.844 4.681 8.959 232 HA HIS 31 HA HIS 31 -2.183 3.581 10.442 233 HB2 HIS 31 1HB HIS 31 -3.803 6.102 10.039 234 HB3 HIS 31 2HB HIS 31 -4.090 4.935 11.325 235 HD1 HIS 31 HD1 HIS 31 -2.118 7.885 10.493 236 HD2 HIS 31 HD2 HIS 31 -1.853 4.735 13.190 237 HE1 HIS 31 HE1 HIS 31 -0.457 8.625 12.230 238 H ALA 32 H ALA 32 -2.626 3.064 7.581 239 HA ALA 32 HA ALA 32 -5.349 2.817 6.961 240 HB1 ALA 32 3HB ALA 32 -3.751 0.686 5.826 241 HB2 ALA 32 1HB ALA 32 -4.573 2.028 5.030 242 HB3 ALA 32 2HB ALA 32 -2.953 2.252 5.690 243 H ARG 33 H ARG 33 -5.768 0.169 6.280 244 HA ARG 33 HA ARG 33 -5.697 -1.260 8.849 245 HB2 ARG 33 1HB ARG 33 -8.108 -1.302 7.043 246 HB3 ARG 33 2HB ARG 33 -7.981 -1.868 8.703 247 HG2 ARG 33 1HG ARG 33 -7.772 1.014 7.862 248 HG3 ARG 33 2HG ARG 33 -9.240 0.244 8.467 249 HD2 ARG 33 1HD ARG 33 -6.763 0.017 10.094 250 HD3 ARG 33 2HD ARG 33 -7.592 1.572 10.062 251 HE ARG 33 HE ARG 33 -9.317 -0.664 10.614 252 HH11 ARG 33 1HH1 ARG 33 -7.182 1.724 11.976 253 HH12 ARG 33 2HH1 ARG 33 -7.903 1.662 13.550 254 HH21 ARG 33 1HH2 ARG 33 -10.276 -0.756 12.682 255 HH22 ARG 33 2HH2 ARG 33 -9.662 0.250 13.950 256 H SER 34 H SER 34 -6.116 -1.445 5.346 257 HA SER 34 HA SER 34 -5.083 -4.202 5.451 258 HB2 SER 34 1HB SER 34 -7.582 -3.856 4.794 259 HB3 SER 34 2HB SER 34 -6.925 -3.285 3.260 260 HG SER 34 HG SER 34 -7.201 -5.439 2.994 261 H GLY 35 H GLY 35 -3.481 -1.896 5.216 262 HA2 GLY 35 1HA GLY 35 -2.840 -1.009 2.688 263 HA3 GLY 35 2HA GLY 35 -1.667 -1.207 3.981 264 H GLU 36 H GLU 36 -2.407 -2.086 0.889 265 HA GLU 36 HA GLU 36 -0.402 -4.180 0.917 266 HB2 GLU 36 1HB GLU 36 -2.918 -5.059 1.207 267 HB3 GLU 36 2HB GLU 36 -2.879 -4.920 -0.545 268 HG2 GLU 36 1HG GLU 36 -2.304 -7.168 0.219 269 HG3 GLU 36 2HG GLU 36 -0.979 -6.406 -0.659 270 H CYS 37 H CYS 37 0.123 -4.902 -1.339 271 HA CYS 37 HA CYS 37 -0.065 -2.593 -3.144 272 HB2 CYS 37 1HB CYS 37 1.975 -3.297 -4.130 273 HB3 CYS 37 2HB CYS 37 2.199 -3.471 -2.393 274 H PHE 38 H PHE 38 -0.446 -2.915 -5.387 275 HA PHE 38 HA PHE 38 -1.178 -5.465 -6.438 276 HB2 PHE 38 1HB PHE 38 -3.271 -3.710 -5.314 277 HB3 PHE 38 2HB PHE 38 -3.600 -4.337 -6.925 278 HD1 PHE 38 HD1 PHE 38 -2.771 -6.985 -7.039 279 HD2 PHE 38 HD2 PHE 38 -4.304 -4.899 -3.661 280 HE1 PHE 38 HE1 PHE 38 -3.504 -9.118 -6.059 281 HE2 PHE 38 HE2 PHE 38 -5.039 -7.029 -2.674 282 HZ PHE 38 HZ PHE 38 -4.639 -9.143 -3.873 283 H TYR 39 H TYR 39 -1.727 -5.381 -8.689 284 HA TYR 39 HA TYR 39 -0.267 -3.501 -10.149 285 HB2 TYR 39 1HB TYR 39 -1.380 -4.456 -12.139 286 HB3 TYR 39 2HB TYR 39 -0.789 -5.703 -11.047 287 HD1 TYR 39 HD2 TYR 39 -3.826 -3.941 -12.207 288 HD2 TYR 39 HD1 TYR 39 -2.273 -7.262 -10.046 289 HE1 TYR 39 HE2 TYR 39 -6.070 -4.944 -12.147 290 HE2 TYR 39 HE1 TYR 39 -4.513 -8.275 -9.982 291 HH TYR 39 HH TYR 39 -7.173 -6.971 -11.809 292 H ASP 40 H ASP 40 -0.829 -1.712 -11.354 293 HA ASP 40 HA ASP 40 -3.424 -0.510 -10.667 294 HB2 ASP 40 1HB ASP 40 -2.272 1.649 -11.364 295 HB3 ASP 40 2HB ASP 40 -1.674 0.891 -9.891 296 H GLU 41 H GLU 41 -3.829 1.346 -12.501 297 HA GLU 41 HA GLU 41 -4.716 -0.096 -14.759 298 HB2 GLU 41 1HB GLU 41 -5.466 2.025 -15.625 299 HB3 GLU 41 2HB GLU 41 -5.790 1.970 -13.897 300 HG2 GLU 41 1HG GLU 41 -3.760 3.306 -13.501 301 HG3 GLU 41 2HG GLU 41 -3.518 3.413 -15.244 302 H LYS 42 H LYS 42 -1.724 1.387 -14.009 303 HA LYS 42 HA LYS 42 -0.902 1.537 -16.808 304 HB2 LYS 42 1HB LYS 42 0.703 2.230 -14.344 305 HB3 LYS 42 2HB LYS 42 1.077 2.659 -16.008 306 HG2 LYS 42 1HG LYS 42 -1.340 3.627 -14.497 307 HG3 LYS 42 2HG LYS 42 0.164 4.532 -14.680 308 HD2 LYS 42 1HD LYS 42 -0.118 4.543 -17.099 309 HD3 LYS 42 2HD LYS 42 -1.593 3.583 -16.945 310 HE2 LYS 42 1HE LYS 42 -2.725 5.362 -15.839 311 HE3 LYS 42 2HE LYS 42 -1.233 6.285 -15.664 312 HZ1 LYS 42 3HZ LYS 42 -3.066 6.319 -17.789 313 HZ2 LYS 42 1HZ LYS 42 -1.585 5.750 -18.377 314 HZ3 LYS 42 2HZ LYS 42 -1.665 7.247 -17.592 315 H ARG 43 H ARG 43 -1.406 -1.001 -15.252 316 HA ARG 43 HA ARG 43 -0.493 -3.071 -14.987 317 HB2 ARG 43 1HB ARG 43 1.083 -2.006 -17.323 318 HB3 ARG 43 2HB ARG 43 1.278 -3.651 -16.736 319 HG2 ARG 43 1HG ARG 43 -0.278 -4.054 -18.320 320 HG3 ARG 43 2HG ARG 43 -1.373 -3.625 -17.004 321 HD2 ARG 43 1HD ARG 43 -2.068 -2.429 -18.948 322 HD3 ARG 43 2HD ARG 43 -1.329 -1.273 -17.841 323 HE ARG 43 HE ARG 43 0.287 -0.874 -19.405 324 HH11 ARG 43 1HH1 ARG 43 -1.320 -3.862 -20.181 325 HH12 ARG 43 2HH1 ARG 43 -0.515 -4.052 -21.703 326 HH21 ARG 43 1HH2 ARG 43 1.354 -1.111 -21.407 327 HH22 ARG 43 2HH2 ARG 43 1.008 -2.487 -22.399 328 H ASN 44 H ASN 44 0.632 -0.861 -13.411 329 HA ASN 44 HA ASN 44 3.356 -1.892 -12.975 330 HB2 ASN 44 1HB ASN 44 2.145 0.827 -12.656 331 HB3 ASN 44 2HB ASN 44 3.500 0.370 -11.627 332 HD21 ASN 44 2HD2 ASN 44 3.789 2.456 -13.302 333 HD22 ASN 44 1HD2 ASN 44 4.848 2.047 -14.604 334 H LEU 45 H LEU 45 4.074 -2.192 -10.809 335 HA LEU 45 HA LEU 45 1.887 -2.889 -8.987 336 HB2 LEU 45 1HB LEU 45 4.759 -3.620 -8.569 337 HB3 LEU 45 2HB LEU 45 3.311 -4.431 -7.978 338 HG LEU 45 HG LEU 45 4.210 -4.409 -10.857 339 HD11 LEU 45 1HD1 LEU 45 5.598 -5.657 -9.007 340 HD12 LEU 45 2HD1 LEU 45 5.248 -6.422 -10.557 341 HD13 LEU 45 3HD1 LEU 45 4.290 -6.833 -9.135 342 HD21 LEU 45 3HD2 LEU 45 1.936 -4.796 -10.941 343 HD22 LEU 45 1HD2 LEU 45 1.912 -5.625 -9.385 344 HD23 LEU 45 2HD2 LEU 45 2.577 -6.434 -10.804 345 H GLN 46 H GLN 46 1.497 -1.734 -7.217 346 HA GLN 46 HA GLN 46 3.646 -0.201 -5.972 347 HB2 GLN 46 1HB GLN 46 1.004 1.111 -6.595 348 HB3 GLN 46 2HB GLN 46 2.465 1.866 -5.972 349 HG2 GLN 46 1HG GLN 46 3.585 1.559 -8.071 350 HG3 GLN 46 2HG GLN 46 2.226 0.631 -8.705 351 HE21 GLN 46 2HE2 GLN 46 3.640 3.360 -9.226 352 HE22 GLN 46 1HE2 GLN 46 2.307 4.426 -9.492 353 H CYS 47 H CYS 47 3.118 0.535 -3.809 354 HA CYS 47 HA CYS 47 1.320 -1.340 -2.481 355 HB2 CYS 47 1HB CYS 47 3.713 -0.956 -1.725 356 HB3 CYS 47 2HB CYS 47 3.195 0.636 -1.179 357 H ILE 48 H ILE 48 -0.722 -0.710 -2.269 358 HA ILE 48 HA ILE 48 -1.308 2.133 -1.841 359 HB ILE 48 HB ILE 48 -3.234 -0.092 -2.514 360 HG12 ILE 48 1HG1 ILE 48 -3.141 1.538 -4.705 361 HG13 ILE 48 2HG1 ILE 48 -1.462 1.573 -4.176 362 HG21 ILE 48 1HG2 ILE 48 -3.554 2.904 -2.474 363 HG22 ILE 48 2HG2 ILE 48 -4.753 1.769 -3.091 364 HG23 ILE 48 3HG2 ILE 48 -4.314 1.746 -1.383 365 HD11 ILE 48 3HD1 ILE 48 -2.264 -1.113 -4.079 366 HD12 ILE 48 1HD1 ILE 48 -2.870 -0.461 -5.601 367 HD13 ILE 48 2HD1 ILE 48 -1.152 -0.350 -5.215 368 H CYS 49 H CYS 49 -2.594 2.838 -0.133 369 HA CYS 49 HA CYS 49 -2.947 0.892 2.052 370 HB2 CYS 49 1HB CYS 49 -2.505 3.851 2.434 371 HB3 CYS 49 2HB CYS 49 -2.409 2.575 3.643 372 H ASP 50 H ASP 50 -4.835 0.950 3.235 373 HA ASP 50 HA ASP 50 -6.937 2.752 2.223 374 HB2 ASP 50 1HB ASP 50 -6.939 0.081 1.809 375 HB3 ASP 50 2HB ASP 50 -7.764 0.146 3.364 376 H TYR 51 H TYR 51 -7.542 4.144 3.732 377 HA TYR 51 HA TYR 51 -7.390 3.325 6.555 378 HB2 TYR 51 1HB TYR 51 -5.973 5.258 5.906 379 HB3 TYR 51 2HB TYR 51 -7.422 6.126 5.411 380 HD1 TYR 51 HD2 TYR 51 -6.889 4.003 8.422 381 HD2 TYR 51 HD1 TYR 51 -7.545 7.921 6.899 382 HE1 TYR 51 HE2 TYR 51 -7.164 4.842 10.717 383 HE2 TYR 51 HE1 TYR 51 -7.821 8.771 9.190 384 HH TYR 51 HH TYR 51 -6.983 6.952 11.938 385 H CYS 52 H CYS 52 -9.291 2.750 7.357 386 HA CYS 52 HA CYS 52 -11.726 4.035 6.335 387 HB2 CYS 52 1HB CYS 52 -11.287 1.449 7.834 388 HB3 CYS 52 2HB CYS 52 -12.883 2.120 7.516 389 H GLU 53 H GLU 53 -12.857 5.402 7.558 390 HA GLU 53 HA GLU 53 -12.121 5.640 10.398 391 HB2 GLU 53 1HB GLU 53 -11.613 7.643 9.116 392 HB3 GLU 53 2HB GLU 53 -13.260 7.702 8.505 393 HG2 GLU 53 1HG GLU 53 -13.097 9.324 10.212 394 HG3 GLU 53 2HG GLU 53 -14.032 7.981 10.869 395 H TYR 54 H TYR 54 -13.552 4.444 11.513 396 HA TYR 54 HA TYR 54 -16.336 4.322 10.750 397 HB2 TYR 54 1HB TYR 54 -14.603 2.970 12.755 398 HB3 TYR 54 2HB TYR 54 -16.327 3.047 13.099 399 HD1 TYR 54 HD1 TYR 54 -14.141 2.292 10.154 400 HD2 TYR 54 HD2 TYR 54 -17.546 1.205 12.462 401 HE1 TYR 54 HE1 TYR 54 -14.515 0.358 8.680 402 HE2 TYR 54 HE2 TYR 54 -17.929 -0.733 10.996 403 HH TYR 54 HH TYR 54 -17.348 -1.346 8.569 Start of MODEL 11 1 H1 ASP 2 H ASP 2 -17.861 4.372 3.195 2 HA ASP 2 HA ASP 2 -16.338 5.108 0.781 3 HB2 ASP 2 1HB ASP 2 -17.441 7.051 2.815 4 HB3 ASP 2 2HB ASP 2 -16.670 7.437 1.279 5 H CYS 3 H CYS 3 -14.243 4.808 1.106 6 HA CYS 3 HA CYS 3 -13.123 5.472 3.748 7 HB2 CYS 3 1HB CYS 3 -11.981 3.326 1.970 8 HB3 CYS 3 2HB CYS 3 -11.673 3.609 3.681 9 H LYS 4 H LYS 4 -10.637 5.710 3.555 10 HA LYS 4 HA LYS 4 -10.071 7.341 1.167 11 HB2 LYS 4 1HB LYS 4 -10.044 8.860 2.933 12 HB3 LYS 4 2HB LYS 4 -9.351 7.696 4.055 13 HG2 LYS 4 1HG LYS 4 -7.752 9.435 3.477 14 HG3 LYS 4 2HG LYS 4 -7.205 7.854 2.913 15 HD2 LYS 4 1HD LYS 4 -6.783 9.390 1.153 16 HD3 LYS 4 2HD LYS 4 -8.189 8.440 0.668 17 HE2 LYS 4 1HE LYS 4 -9.001 10.501 0.182 18 HE3 LYS 4 2HE LYS 4 -9.451 10.448 1.886 19 HZ1 LYS 4 3HZ LYS 4 -6.901 11.614 0.921 20 HZ2 LYS 4 1HZ LYS 4 -7.585 11.754 2.463 21 HZ3 LYS 4 2HZ LYS 4 -8.308 12.526 1.144 22 H ARG 5 H ARG 5 -8.628 6.479 -0.158 23 HA ARG 5 HA ARG 5 -6.446 4.868 0.989 24 HB2 ARG 5 1HB ARG 5 -6.534 3.460 -1.062 25 HB3 ARG 5 2HB ARG 5 -7.977 3.335 -0.065 26 HG2 ARG 5 1HG ARG 5 -8.895 3.495 -2.153 27 HG3 ARG 5 2HG ARG 5 -8.888 5.189 -1.662 28 HD2 ARG 5 1HD ARG 5 -7.149 5.730 -3.071 29 HD3 ARG 5 2HD ARG 5 -6.524 4.081 -3.102 30 HE ARG 5 HE ARG 5 -9.022 4.047 -4.322 31 HH11 ARG 5 1HH1 ARG 5 -5.880 5.448 -4.854 32 HH12 ARG 5 2HH1 ARG 5 -6.038 5.470 -6.579 33 HH21 ARG 5 1HH2 ARG 5 -9.242 4.070 -6.592 34 HH22 ARG 5 2HH2 ARG 5 -7.951 4.686 -7.567 35 H LYS 6 H LYS 6 -4.522 4.736 -0.414 36 HA LYS 6 HA LYS 6 -4.178 6.587 -2.558 37 HB2 LYS 6 1HB LYS 6 -4.113 8.245 -0.826 38 HB3 LYS 6 2HB LYS 6 -3.017 7.270 0.144 39 HG2 LYS 6 1HG LYS 6 -1.191 7.823 -1.107 40 HG3 LYS 6 2HG LYS 6 -2.138 8.093 -2.572 41 HD2 LYS 6 1HD LYS 6 -2.310 9.895 -0.168 42 HD3 LYS 6 2HD LYS 6 -1.148 10.153 -1.472 43 HE2 LYS 6 1HE LYS 6 -4.075 9.840 -2.043 44 HE3 LYS 6 2HE LYS 6 -3.407 11.397 -1.555 45 HZ1 LYS 6 3HZ LYS 6 -3.346 11.432 -3.866 46 HZ2 LYS 6 1HZ LYS 6 -2.821 9.828 -3.988 47 HZ3 LYS 6 2HZ LYS 6 -1.760 11.027 -3.443 48 H VAL 7 H VAL 7 -2.379 6.125 -3.747 49 HA VAL 7 HA VAL 7 -0.841 3.795 -2.888 50 HB VAL 7 HB VAL 7 -1.789 3.660 -5.108 51 HG11 VAL 7 1HG1 VAL 7 -1.006 6.401 -5.253 52 HG12 VAL 7 2HG1 VAL 7 -0.270 5.520 -6.592 53 HG13 VAL 7 3HG1 VAL 7 -2.019 5.477 -6.362 54 HG21 VAL 7 3HG2 VAL 7 1.125 4.144 -5.596 55 HG22 VAL 7 1HG2 VAL 7 0.596 2.832 -4.543 56 HG23 VAL 7 2HG2 VAL 7 0.085 2.871 -6.230 57 H TYR 8 H TYR 8 1.342 3.782 -2.588 58 HA TYR 8 HA TYR 8 2.674 6.409 -2.625 59 HB2 TYR 8 1HB TYR 8 2.306 4.899 -0.446 60 HB3 TYR 8 2HB TYR 8 3.803 4.174 -1.020 61 HD1 TYR 8 HD1 TYR 8 2.519 7.686 -0.855 62 HD2 TYR 8 HD2 TYR 8 5.612 4.950 0.173 63 HE1 TYR 8 HE1 TYR 8 3.795 9.522 0.169 64 HE2 TYR 8 HE2 TYR 8 6.896 6.779 1.202 65 HH TYR 8 HH TYR 8 5.825 10.127 0.979 66 H GLU 9 H GLU 9 3.339 6.205 -4.800 67 HA GLU 9 HA GLU 9 4.759 3.994 -5.823 68 HB2 GLU 9 1HB GLU 9 5.461 5.553 -7.622 69 HB3 GLU 9 2HB GLU 9 3.729 5.583 -7.321 70 HG2 GLU 9 1HG GLU 9 3.934 7.643 -6.089 71 HG3 GLU 9 2HG GLU 9 5.689 7.594 -6.241 72 H ASN 10 H ASN 10 5.669 6.452 -3.657 73 HA ASN 10 HA ASN 10 8.413 6.701 -4.255 74 HB2 ASN 10 1HB ASN 10 7.561 8.359 -2.836 75 HB3 ASN 10 2HB ASN 10 6.768 7.187 -1.788 76 HD21 ASN 10 2HD2 ASN 10 9.905 8.423 -2.794 77 HD22 ASN 10 1HD2 ASN 10 10.729 8.045 -1.322 78 H TYR 11 H TYR 11 6.586 4.246 -2.644 79 HA TYR 11 HA TYR 11 8.827 3.059 -1.291 80 HB2 TYR 11 1HB TYR 11 6.004 2.776 -1.232 81 HB3 TYR 11 2HB TYR 11 6.678 1.199 -1.632 82 HD1 TYR 11 HD2 TYR 11 7.886 3.929 0.616 83 HD2 TYR 11 HD1 TYR 11 6.626 -0.119 0.266 84 HE1 TYR 11 HE2 TYR 11 8.421 3.563 2.988 85 HE2 TYR 11 HE1 TYR 11 7.157 -0.496 2.637 86 HH TYR 11 HH TYR 11 8.792 1.930 4.562 87 HA PRO 12 HA PRO 12 10.445 0.622 -4.572 88 HB2 PRO 12 1HB PRO 12 11.516 -1.424 -3.144 89 HB3 PRO 12 2HB PRO 12 12.226 0.194 -3.185 90 HG2 PRO 12 1HG PRO 12 10.474 -1.053 -1.104 91 HG3 PRO 12 2HG PRO 12 11.927 -0.060 -0.893 92 HD2 PRO 12 1HD PRO 12 9.427 0.941 -0.615 93 HD3 PRO 12 2HD PRO 12 10.782 1.912 -1.227 94 H VAL 13 H VAL 13 9.775 -0.976 -5.908 95 HA VAL 13 HA VAL 13 7.324 -2.306 -5.381 96 HB VAL 13 HB VAL 13 9.303 -2.918 -7.579 97 HG11 VAL 13 1HG1 VAL 13 7.763 -4.650 -7.608 98 HG12 VAL 13 2HG1 VAL 13 6.432 -3.610 -7.097 99 HG13 VAL 13 3HG1 VAL 13 7.062 -3.495 -8.741 100 HG21 VAL 13 3HG2 VAL 13 7.833 -1.387 -8.934 101 HG22 VAL 13 1HG2 VAL 13 7.118 -0.854 -7.411 102 HG23 VAL 13 2HG2 VAL 13 8.835 -0.592 -7.719 103 H SER 14 H SER 14 10.552 -3.053 -4.625 104 HA SER 14 HA SER 14 10.422 -5.888 -4.726 105 HB2 SER 14 1HB SER 14 12.206 -4.129 -3.023 106 HB3 SER 14 2HB SER 14 12.468 -5.835 -3.381 107 HG SER 14 HG SER 14 12.770 -5.305 -5.538 108 H LYS 15 H LYS 15 9.466 -3.502 -2.376 109 HA LYS 15 HA LYS 15 9.192 -5.331 -0.190 110 HB2 LYS 15 1HB LYS 15 8.574 -2.474 -0.699 111 HB3 LYS 15 2HB LYS 15 7.626 -3.270 0.550 112 HG2 LYS 15 1HG LYS 15 9.597 -2.129 1.452 113 HG3 LYS 15 2HG LYS 15 9.637 -3.869 1.748 114 HD2 LYS 15 1HD LYS 15 11.463 -4.168 0.464 115 HD3 LYS 15 2HD LYS 15 10.917 -3.013 -0.753 116 HE2 LYS 15 1HE LYS 15 12.819 -2.011 0.148 117 HE3 LYS 15 2HE LYS 15 11.489 -1.216 0.989 118 HZ1 LYS 15 3HZ LYS 15 13.369 -1.932 2.435 119 HZ2 LYS 15 1HZ LYS 15 12.963 -3.538 2.096 120 HZ3 LYS 15 2HZ LYS 15 11.862 -2.541 2.903 121 H CYS 16 H CYS 16 7.243 -4.409 -2.878 122 HA CYS 16 HA CYS 16 4.667 -4.833 -1.993 123 HB2 CYS 16 1HB CYS 16 5.064 -4.039 -4.227 124 HB3 CYS 16 2HB CYS 16 5.923 -5.515 -4.655 125 H GLN 17 H GLN 17 7.147 -7.189 -2.765 126 HA GLN 17 HA GLN 17 5.572 -9.493 -2.887 127 HB2 GLN 17 1HB GLN 17 8.387 -9.276 -1.806 128 HB3 GLN 17 2HB GLN 17 7.612 -10.729 -2.424 129 HG2 GLN 17 1HG GLN 17 7.962 -8.306 -4.145 130 HG3 GLN 17 2HG GLN 17 9.257 -9.483 -3.937 131 HE21 GLN 17 2HE2 GLN 17 8.664 -11.760 -4.400 132 HE22 GLN 17 1HE2 GLN 17 7.593 -12.060 -5.721 133 H LEU 18 H LEU 18 6.846 -7.714 -0.144 134 HA LEU 18 HA LEU 18 6.123 -9.712 1.787 135 HB2 LEU 18 1HB LEU 18 7.169 -6.922 1.891 136 HB3 LEU 18 2HB LEU 18 6.469 -7.629 3.345 137 HG LEU 18 HG LEU 18 9.014 -7.744 3.029 138 HD11 LEU 18 1HD1 LEU 18 8.803 -9.180 4.701 139 HD12 LEU 18 2HD1 LEU 18 8.429 -10.473 3.563 140 HD13 LEU 18 3HD1 LEU 18 7.131 -9.483 4.229 141 HD21 LEU 18 3HD2 LEU 18 8.910 -8.520 0.680 142 HD22 LEU 18 1HD2 LEU 18 8.215 -10.040 1.244 143 HD23 LEU 18 2HD2 LEU 18 9.852 -9.587 1.723 144 H ALA 19 H ALA 19 4.275 -9.921 2.909 145 HA ALA 19 HA ALA 19 2.044 -8.195 2.172 146 HB1 ALA 19 3HB ALA 19 2.336 -10.937 3.203 147 HB2 ALA 19 1HB ALA 19 0.933 -10.043 3.789 148 HB3 ALA 19 2HB ALA 19 1.174 -10.270 2.056 149 H ASN 20 H ASN 20 4.047 -8.983 4.922 150 HA ASN 20 HA ASN 20 2.352 -7.510 6.766 151 HB2 ASN 20 1HB ASN 20 3.931 -8.195 8.480 152 HB3 ASN 20 2HB ASN 20 3.507 -9.586 7.488 153 HD21 ASN 20 2HD2 ASN 20 5.751 -9.595 9.050 154 HD22 ASN 20 1HD2 ASN 20 7.157 -9.568 8.046 155 H GLN 21 H GLN 21 4.899 -6.866 4.632 156 HA GLN 21 HA GLN 21 6.050 -4.678 6.116 157 HB2 GLN 21 1HB GLN 21 7.404 -6.014 4.549 158 HB3 GLN 21 2HB GLN 21 6.397 -5.461 3.217 159 HG2 GLN 21 1HG GLN 21 8.084 -3.982 2.989 160 HG3 GLN 21 2HG GLN 21 7.124 -3.090 4.168 161 HE21 GLN 21 2HE2 GLN 21 8.731 -2.015 5.181 162 HE22 GLN 21 1HE2 GLN 21 9.997 -2.778 6.075 163 H CYS 22 H CYS 22 3.872 -5.056 3.351 164 HA CYS 22 HA CYS 22 3.605 -2.336 2.715 165 HB2 CYS 22 1HB CYS 22 2.383 -4.820 1.934 166 HB3 CYS 22 2HB CYS 22 1.138 -3.596 2.161 167 H ASN 23 H ASN 23 1.244 -4.379 4.446 168 HA ASN 23 HA ASN 23 -0.419 -2.339 5.313 169 HB2 ASN 23 1HB ASN 23 -1.507 -3.947 6.513 170 HB3 ASN 23 2HB ASN 23 -0.507 -5.011 5.529 171 HD21 ASN 23 2HD2 ASN 23 1.710 -5.438 6.512 172 HD22 ASN 23 1HD2 ASN 23 1.732 -5.792 8.202 173 H TYR 24 H TYR 24 2.662 -3.372 6.546 174 HA TYR 24 HA TYR 24 2.469 -2.141 9.101 175 HB2 TYR 24 1HB TYR 24 4.107 -3.846 8.839 176 HB3 TYR 24 2HB TYR 24 4.812 -3.054 7.433 177 HD1 TYR 24 HD1 TYR 24 3.944 -1.805 10.848 178 HD2 TYR 24 HD2 TYR 24 6.979 -2.434 7.934 179 HE1 TYR 24 HE1 TYR 24 5.570 -0.677 12.308 180 HE2 TYR 24 HE2 TYR 24 8.615 -1.308 9.386 181 HH TYR 24 HH TYR 24 8.197 0.622 11.477 182 H ASP 25 H ASP 25 3.994 -1.138 6.049 183 HA ASP 25 HA ASP 25 4.828 1.398 7.029 184 HB2 ASP 25 1HB ASP 25 6.027 0.566 5.171 185 HB3 ASP 25 2HB ASP 25 4.553 0.233 4.266 186 H CYS 26 H CYS 26 1.896 0.187 5.606 187 HA CYS 26 HA CYS 26 0.817 2.782 4.987 188 HB2 CYS 26 1HB CYS 26 -0.329 -0.005 5.010 189 HB3 CYS 26 2HB CYS 26 -1.336 1.408 4.712 190 H LYS 27 H LYS 27 0.117 0.287 7.429 191 HA LYS 27 HA LYS 27 -1.771 1.871 8.842 192 HB2 LYS 27 1HB LYS 27 -0.205 -0.591 9.618 193 HB3 LYS 27 2HB LYS 27 -1.409 0.151 10.663 194 HG2 LYS 27 1HG LYS 27 -2.824 -0.119 8.372 195 HG3 LYS 27 2HG LYS 27 -1.748 -1.515 8.274 196 HD2 LYS 27 1HD LYS 27 -3.561 -0.820 10.586 197 HD3 LYS 27 2HD LYS 27 -3.829 -2.101 9.400 198 HE2 LYS 27 1HE LYS 27 -2.795 -3.432 10.870 199 HE3 LYS 27 2HE LYS 27 -1.310 -2.664 10.309 200 HZ1 LYS 27 3HZ LYS 27 -1.086 -1.512 12.209 201 HZ2 LYS 27 1HZ LYS 27 -2.070 -2.725 12.859 202 HZ3 LYS 27 2HZ LYS 27 -2.747 -1.246 12.393 203 H LEU 28 H LEU 28 1.585 2.017 8.639 204 HA LEU 28 HA LEU 28 2.102 2.932 11.316 205 HB2 LEU 28 1HB LEU 28 3.890 1.850 10.206 206 HB3 LEU 28 2HB LEU 28 3.727 2.883 8.788 207 HG LEU 28 HG LEU 28 4.393 4.270 11.302 208 HD11 LEU 28 1HD1 LEU 28 6.090 2.118 10.157 209 HD12 LEU 28 2HD1 LEU 28 5.898 2.640 11.830 210 HD13 LEU 28 3HD1 LEU 28 6.874 3.596 10.715 211 HD21 LEU 28 3HD2 LEU 28 6.184 4.811 9.197 212 HD22 LEU 28 1HD2 LEU 28 4.857 5.815 9.780 213 HD23 LEU 28 2HD2 LEU 28 4.581 4.660 8.476 214 H ASP 29 H ASP 29 2.402 4.549 8.147 215 HA ASP 29 HA ASP 29 2.072 7.131 9.472 216 HB2 ASP 29 1HB ASP 29 3.175 6.218 6.862 217 HB3 ASP 29 2HB ASP 29 2.473 7.832 6.924 218 H LYS 30 H LYS 30 0.686 5.337 6.728 219 HA LYS 30 HA LYS 30 -1.440 7.185 6.315 220 HB2 LYS 30 1HB LYS 30 -0.567 4.620 5.191 221 HB3 LYS 30 2HB LYS 30 -2.313 4.827 5.203 222 HG2 LYS 30 1HG LYS 30 -0.625 7.049 4.176 223 HG3 LYS 30 2HG LYS 30 -0.859 5.619 3.168 224 HD2 LYS 30 1HD LYS 30 -2.640 6.885 2.484 225 HD3 LYS 30 2HD LYS 30 -3.388 6.000 3.815 226 HE2 LYS 30 1HE LYS 30 -2.086 8.400 4.753 227 HE3 LYS 30 2HE LYS 30 -3.258 8.766 3.489 228 HZ1 LYS 30 3HZ LYS 30 -4.225 6.892 5.443 229 HZ2 LYS 30 1HZ LYS 30 -4.953 8.292 4.834 230 HZ3 LYS 30 2HZ LYS 30 -3.841 8.401 6.103 231 H HIS 31 H HIS 31 -0.892 4.887 8.695 232 HA HIS 31 HA HIS 31 -2.184 3.871 10.276 233 HB2 HIS 31 1HB HIS 31 -3.740 6.397 9.732 234 HB3 HIS 31 2HB HIS 31 -4.183 5.272 11.012 235 HD1 HIS 31 HD1 HIS 31 -2.303 4.913 12.906 236 HD2 HIS 31 HD2 HIS 31 -1.795 8.190 10.403 237 HE1 HIS 31 HE1 HIS 31 -0.658 6.408 14.082 238 H ALA 32 H ALA 32 -2.686 3.188 7.445 239 HA ALA 32 HA ALA 32 -5.422 2.841 6.934 240 HB1 ALA 32 3HB ALA 32 -3.078 2.316 5.583 241 HB2 ALA 32 1HB ALA 32 -3.763 0.713 5.853 242 HB3 ALA 32 2HB ALA 32 -4.708 1.948 5.019 243 H ARG 33 H ARG 33 -5.746 0.133 6.380 244 HA ARG 33 HA ARG 33 -5.539 -1.175 9.003 245 HB2 ARG 33 1HB ARG 33 -7.845 -0.075 8.407 246 HB3 ARG 33 2HB ARG 33 -8.033 -1.488 7.377 247 HG2 ARG 33 1HG ARG 33 -7.463 -2.842 9.488 248 HG3 ARG 33 2HG ARG 33 -7.822 -1.349 10.357 249 HD2 ARG 33 1HD ARG 33 -10.049 -1.296 9.385 250 HD3 ARG 33 2HD ARG 33 -9.691 -2.743 8.443 251 HE ARG 33 HE ARG 33 -10.036 -4.021 10.320 252 HH11 ARG 33 1HH1 ARG 33 -9.823 -0.664 11.215 253 HH12 ARG 33 2HH1 ARG 33 -10.345 -0.931 12.846 254 HH21 ARG 33 1HH2 ARG 33 -10.724 -4.385 12.464 255 HH22 ARG 33 2HH2 ARG 33 -10.855 -3.048 13.555 256 H SER 34 H SER 34 -6.121 -1.505 5.535 257 HA SER 34 HA SER 34 -5.030 -4.238 5.695 258 HB2 SER 34 1HB SER 34 -7.238 -3.229 3.885 259 HB3 SER 34 2HB SER 34 -6.481 -4.817 3.752 260 HG SER 34 HG SER 34 -8.532 -4.250 5.197 261 H GLY 35 H GLY 35 -3.467 -1.935 5.313 262 HA2 GLY 35 1HA GLY 35 -2.948 -1.099 2.746 263 HA3 GLY 35 2HA GLY 35 -1.710 -1.284 3.979 264 H GLU 36 H GLU 36 -2.318 -2.034 0.923 265 HA GLU 36 HA GLU 36 -0.454 -4.230 0.924 266 HB2 GLU 36 1HB GLU 36 -2.947 -5.083 1.225 267 HB3 GLU 36 2HB GLU 36 -2.998 -4.832 -0.513 268 HG2 GLU 36 1HG GLU 36 -2.439 -7.141 0.111 269 HG3 GLU 36 2HG GLU 36 -1.179 -6.362 -0.845 270 H CYS 37 H CYS 37 0.044 -4.937 -1.349 271 HA CYS 37 HA CYS 37 -0.056 -2.589 -3.110 272 HB2 CYS 37 1HB CYS 37 1.946 -3.390 -4.138 273 HB3 CYS 37 2HB CYS 37 2.178 -3.520 -2.397 274 H PHE 38 H PHE 38 -0.424 -2.867 -5.368 275 HA PHE 38 HA PHE 38 -1.246 -5.358 -6.472 276 HB2 PHE 38 1HB PHE 38 -3.284 -3.593 -5.278 277 HB3 PHE 38 2HB PHE 38 -3.640 -4.135 -6.914 278 HD1 PHE 38 HD1 PHE 38 -2.849 -6.805 -7.134 279 HD2 PHE 38 HD2 PHE 38 -4.388 -4.820 -3.697 280 HE1 PHE 38 HE1 PHE 38 -3.642 -8.960 -6.248 281 HE2 PHE 38 HE2 PHE 38 -5.183 -6.970 -2.806 282 HZ PHE 38 HZ PHE 38 -4.810 -9.044 -4.081 283 H TYR 39 H TYR 39 -1.891 -5.174 -8.718 284 HA TYR 39 HA TYR 39 -0.388 -3.225 -10.109 285 HB2 TYR 39 1HB TYR 39 -1.388 -4.205 -12.140 286 HB3 TYR 39 2HB TYR 39 -0.773 -5.440 -11.047 287 HD1 TYR 39 HD2 TYR 39 -3.801 -3.900 -12.446 288 HD2 TYR 39 HD1 TYR 39 -2.264 -6.987 -9.954 289 HE1 TYR 39 HE2 TYR 39 -5.997 -5.008 -12.474 290 HE2 TYR 39 HE1 TYR 39 -4.456 -8.104 -9.977 291 HH TYR 39 HH TYR 39 -6.586 -7.967 -10.607 292 H ASP 40 H ASP 40 -0.938 -1.327 -11.020 293 HA ASP 40 HA ASP 40 -3.618 -0.303 -10.453 294 HB2 ASP 40 1HB ASP 40 -2.566 1.911 -11.114 295 HB3 ASP 40 2HB ASP 40 -1.915 1.153 -9.663 296 H GLU 41 H GLU 41 -4.108 1.555 -12.261 297 HA GLU 41 HA GLU 41 -5.004 0.142 -14.509 298 HB2 GLU 41 1HB GLU 41 -5.785 2.221 -15.348 299 HB3 GLU 41 2HB GLU 41 -5.928 2.312 -13.598 300 HG2 GLU 41 1HG GLU 41 -3.734 3.525 -13.578 301 HG3 GLU 41 2HG GLU 41 -3.840 3.596 -15.336 302 H LYS 42 H LYS 42 -1.982 1.649 -13.830 303 HA LYS 42 HA LYS 42 -1.180 1.639 -16.639 304 HB2 LYS 42 1HB LYS 42 0.100 2.690 -14.123 305 HB3 LYS 42 2HB LYS 42 0.986 2.582 -15.640 306 HG2 LYS 42 1HG LYS 42 -1.131 3.901 -16.536 307 HG3 LYS 42 2HG LYS 42 -1.212 4.404 -14.847 308 HD2 LYS 42 1HD LYS 42 1.270 4.615 -16.544 309 HD3 LYS 42 2HD LYS 42 0.106 5.927 -16.341 310 HE2 LYS 42 1HE LYS 42 0.476 5.777 -13.880 311 HE3 LYS 42 2HE LYS 42 1.755 4.604 -14.190 312 HZ1 LYS 42 3HZ LYS 42 2.588 6.880 -13.891 313 HZ2 LYS 42 1HZ LYS 42 1.716 7.376 -15.253 314 HZ3 LYS 42 2HZ LYS 42 2.971 6.254 -15.415 315 H ARG 43 H ARG 43 -1.659 -0.807 -14.937 316 HA ARG 43 HA ARG 43 -0.729 -2.850 -14.547 317 HB2 ARG 43 1HB ARG 43 0.643 -1.888 -17.028 318 HB3 ARG 43 2HB ARG 43 1.146 -3.406 -16.297 319 HG2 ARG 43 1HG ARG 43 -1.727 -2.861 -16.952 320 HG3 ARG 43 2HG ARG 43 -0.600 -3.490 -18.156 321 HD2 ARG 43 1HD ARG 43 -1.208 -4.761 -15.489 322 HD3 ARG 43 2HD ARG 43 -1.867 -5.277 -17.041 323 HE ARG 43 HE ARG 43 0.793 -5.396 -17.457 324 HH11 ARG 43 1HH1 ARG 43 -1.268 -6.648 -14.946 325 HH12 ARG 43 2HH1 ARG 43 -0.262 -8.022 -14.625 326 HH21 ARG 43 1HH2 ARG 43 2.126 -7.201 -17.044 327 HH22 ARG 43 2HH2 ARG 43 1.668 -8.335 -15.818 328 H ASN 44 H ASN 44 0.401 -0.550 -13.121 329 HA ASN 44 HA ASN 44 3.173 -1.444 -12.730 330 HB2 ASN 44 1HB ASN 44 1.811 1.166 -12.529 331 HB3 ASN 44 2HB ASN 44 2.974 0.833 -11.249 332 HD21 ASN 44 2HD2 ASN 44 3.101 2.803 -13.364 333 HD22 ASN 44 1HD2 ASN 44 4.541 2.469 -14.258 334 H LEU 45 H LEU 45 3.838 -2.278 -10.826 335 HA LEU 45 HA LEU 45 1.788 -2.903 -8.860 336 HB2 LEU 45 1HB LEU 45 4.659 -3.745 -8.703 337 HB3 LEU 45 2HB LEU 45 3.235 -4.540 -8.034 338 HG LEU 45 HG LEU 45 3.852 -4.373 -10.981 339 HD11 LEU 45 1HD1 LEU 45 5.465 -5.851 -10.504 340 HD12 LEU 45 2HD1 LEU 45 4.133 -6.987 -10.289 341 HD13 LEU 45 3HD1 LEU 45 4.832 -6.175 -8.889 342 HD21 LEU 45 3HD2 LEU 45 2.005 -5.660 -11.347 343 HD22 LEU 45 1HD2 LEU 45 1.454 -4.753 -9.939 344 HD23 LEU 45 2HD2 LEU 45 2.061 -6.397 -9.746 345 H GLN 46 H GLN 46 1.432 -1.545 -7.242 346 HA GLN 46 HA GLN 46 3.731 -0.325 -5.891 347 HB2 GLN 46 1HB GLN 46 1.207 1.230 -6.426 348 HB3 GLN 46 2HB GLN 46 2.745 1.832 -5.821 349 HG2 GLN 46 1HG GLN 46 3.583 0.897 -8.162 350 HG3 GLN 46 2HG GLN 46 1.901 1.212 -8.587 351 HE21 GLN 46 2HE2 GLN 46 1.103 3.412 -7.876 352 HE22 GLN 46 1HE2 GLN 46 2.176 4.741 -8.133 353 H CYS 47 H CYS 47 3.173 0.510 -3.717 354 HA CYS 47 HA CYS 47 1.327 -1.337 -2.414 355 HB2 CYS 47 1HB CYS 47 3.712 -1.006 -1.623 356 HB3 CYS 47 2HB CYS 47 3.228 0.600 -1.090 357 H ILE 48 H ILE 48 -0.706 -0.666 -2.230 358 HA ILE 48 HA ILE 48 -1.233 2.187 -1.778 359 HB ILE 48 HB ILE 48 -3.205 0.036 -2.549 360 HG12 ILE 48 1HG1 ILE 48 -2.979 1.675 -4.723 361 HG13 ILE 48 2HG1 ILE 48 -1.319 1.651 -4.136 362 HG21 ILE 48 1HG2 ILE 48 -4.590 1.641 -1.763 363 HG22 ILE 48 2HG2 ILE 48 -3.398 2.924 -1.967 364 HG23 ILE 48 3HG2 ILE 48 -4.312 2.340 -3.358 365 HD11 ILE 48 3HD1 ILE 48 -1.974 -0.988 -4.051 366 HD12 ILE 48 1HD1 ILE 48 -2.882 -0.432 -5.456 367 HD13 ILE 48 2HD1 ILE 48 -1.136 -0.189 -5.382 368 H CYS 49 H CYS 49 -2.451 2.903 -0.056 369 HA CYS 49 HA CYS 49 -2.855 0.939 2.099 370 HB2 CYS 49 1HB CYS 49 -2.659 3.928 2.451 371 HB3 CYS 49 2HB CYS 49 -2.492 2.676 3.678 372 H ASP 50 H ASP 50 -4.784 0.844 3.195 373 HA ASP 50 HA ASP 50 -6.976 2.501 2.130 374 HB2 ASP 50 1HB ASP 50 -6.927 -0.451 2.736 375 HB3 ASP 50 2HB ASP 50 -8.436 0.455 2.643 376 H TYR 51 H TYR 51 -7.727 3.807 3.649 377 HA TYR 51 HA TYR 51 -7.780 2.842 6.434 378 HB2 TYR 51 1HB TYR 51 -6.165 4.677 6.094 379 HB3 TYR 51 2HB TYR 51 -7.460 5.692 5.470 380 HD1 TYR 51 HD2 TYR 51 -7.361 3.421 8.430 381 HD2 TYR 51 HD1 TYR 51 -7.763 7.408 7.000 382 HE1 TYR 51 HE2 TYR 51 -7.856 4.183 10.715 383 HE2 TYR 51 HE1 TYR 51 -8.257 8.182 9.282 384 HH TYR 51 HH TYR 51 -7.595 6.523 11.971 385 H CYS 52 H CYS 52 -9.786 2.381 7.028 386 HA CYS 52 HA CYS 52 -11.957 4.164 6.136 387 HB2 CYS 52 1HB CYS 52 -11.777 1.625 5.319 388 HB3 CYS 52 2HB CYS 52 -12.584 1.346 6.858 389 H GLU 53 H GLU 53 -13.205 5.025 7.683 390 HA GLU 53 HA GLU 53 -12.813 4.060 10.439 391 HB2 GLU 53 1HB GLU 53 -12.074 6.439 9.755 392 HB3 GLU 53 2HB GLU 53 -13.791 6.812 9.728 393 HG2 GLU 53 1HG GLU 53 -14.027 6.424 12.027 394 HG3 GLU 53 2HG GLU 53 -12.475 5.596 12.130 395 H TYR 54 H TYR 54 -14.479 2.702 10.801 396 HA TYR 54 HA TYR 54 -17.100 3.114 9.754 397 HB2 TYR 54 1HB TYR 54 -15.837 1.165 11.634 398 HB3 TYR 54 2HB TYR 54 -17.593 1.282 11.592 399 HD1 TYR 54 HD2 TYR 54 -18.699 1.085 9.247 400 HD2 TYR 54 HD1 TYR 54 -14.740 -0.207 10.114 401 HE1 TYR 54 HE2 TYR 54 -18.754 -0.385 7.275 402 HE2 TYR 54 HE1 TYR 54 -14.782 -1.680 8.144 403 HH TYR 54 HH TYR 54 -17.330 -1.540 5.800 Start of MODEL 12 1 H1 ASP 2 H ASP 2 -18.759 4.361 3.769 2 HA ASP 2 HA ASP 2 -16.925 4.688 1.884 3 HB2 ASP 2 1HB ASP 2 -17.567 6.804 3.949 4 HB3 ASP 2 2HB ASP 2 -16.856 7.110 2.367 5 H CYS 3 H CYS 3 -14.812 4.413 1.698 6 HA CYS 3 HA CYS 3 -13.092 5.064 3.998 7 HB2 CYS 3 1HB CYS 3 -12.503 2.790 2.112 8 HB3 CYS 3 2HB CYS 3 -11.784 3.119 3.684 9 H LYS 4 H LYS 4 -10.706 5.146 3.236 10 HA LYS 4 HA LYS 4 -10.571 6.487 0.617 11 HB2 LYS 4 1HB LYS 4 -8.753 7.923 1.733 12 HB3 LYS 4 2HB LYS 4 -10.432 8.282 2.114 13 HG2 LYS 4 1HG LYS 4 -10.223 7.036 4.207 14 HG3 LYS 4 2HG LYS 4 -8.536 6.685 3.825 15 HD2 LYS 4 1HD LYS 4 -8.312 8.519 5.198 16 HD3 LYS 4 2HD LYS 4 -8.353 9.286 3.609 17 HE2 LYS 4 1HE LYS 4 -10.669 9.851 3.876 18 HE3 LYS 4 2HE LYS 4 -10.773 8.917 5.367 19 HZ1 LYS 4 3HZ LYS 4 -10.516 11.032 6.166 20 HZ2 LYS 4 1HZ LYS 4 -9.514 11.527 4.896 21 HZ3 LYS 4 2HZ LYS 4 -8.899 10.534 6.118 22 H ARG 5 H ARG 5 -8.545 6.374 -0.471 23 HA ARG 5 HA ARG 5 -6.547 4.540 0.600 24 HB2 ARG 5 1HB ARG 5 -6.530 3.267 -1.572 25 HB3 ARG 5 2HB ARG 5 -7.942 2.994 -0.559 26 HG2 ARG 5 1HG ARG 5 -9.347 4.174 -1.973 27 HG3 ARG 5 2HG ARG 5 -8.012 5.044 -2.732 28 HD2 ARG 5 1HD ARG 5 -8.850 3.410 -4.281 29 HD3 ARG 5 2HD ARG 5 -7.253 2.906 -3.731 30 HE ARG 5 HE ARG 5 -9.319 1.748 -2.153 31 HH11 ARG 5 1HH1 ARG 5 -7.662 1.489 -5.204 32 HH12 ARG 5 2HH1 ARG 5 -7.976 -0.207 -5.378 33 HH21 ARG 5 1HH2 ARG 5 -9.737 -0.484 -2.371 34 HH22 ARG 5 2HH2 ARG 5 -9.157 -1.328 -3.766 35 H LYS 6 H LYS 6 -4.551 4.536 -0.665 36 HA LYS 6 HA LYS 6 -4.158 6.467 -2.737 37 HB2 LYS 6 1HB LYS 6 -4.199 8.060 -0.951 38 HB3 LYS 6 2HB LYS 6 -3.148 7.061 0.044 39 HG2 LYS 6 1HG LYS 6 -1.263 7.713 -1.040 40 HG3 LYS 6 2HG LYS 6 -2.097 7.953 -2.578 41 HD2 LYS 6 1HD LYS 6 -1.546 10.117 -1.884 42 HD3 LYS 6 2HD LYS 6 -3.240 9.939 -1.425 43 HE2 LYS 6 1HE LYS 6 -2.290 9.156 0.850 44 HE3 LYS 6 2HE LYS 6 -0.795 9.918 0.308 45 HZ1 LYS 6 3HZ LYS 6 -2.377 11.910 -0.166 46 HZ2 LYS 6 1HZ LYS 6 -1.813 11.631 1.405 47 HZ3 LYS 6 2HZ LYS 6 -3.375 11.154 0.970 48 H VAL 7 H VAL 7 -2.313 6.072 -3.872 49 HA VAL 7 HA VAL 7 -0.697 3.804 -2.953 50 HB VAL 7 HB VAL 7 -1.676 3.500 -5.142 51 HG11 VAL 7 1HG1 VAL 7 -1.978 5.181 -6.558 52 HG12 VAL 7 2HG1 VAL 7 -1.142 6.256 -5.437 53 HG13 VAL 7 3HG1 VAL 7 -0.236 5.413 -6.694 54 HG21 VAL 7 3HG2 VAL 7 0.620 2.647 -4.695 55 HG22 VAL 7 1HG2 VAL 7 0.294 2.952 -6.401 56 HG23 VAL 7 2HG2 VAL 7 1.263 4.094 -5.470 57 H TYR 8 H TYR 8 1.487 3.916 -2.694 58 HA TYR 8 HA TYR 8 2.673 6.605 -2.851 59 HB2 TYR 8 1HB TYR 8 2.584 4.749 -0.738 60 HB3 TYR 8 2HB TYR 8 4.246 4.737 -1.315 61 HD1 TYR 8 HD2 TYR 8 5.041 7.318 -1.909 62 HD2 TYR 8 HD1 TYR 8 2.229 6.139 1.057 63 HE1 TYR 8 HE2 TYR 8 5.492 9.391 -0.666 64 HE2 TYR 8 HE1 TYR 8 2.671 8.209 2.308 65 HH TYR 8 HH TYR 8 4.900 10.670 1.059 66 H GLU 9 H GLU 9 3.442 6.585 -4.937 67 HA GLU 9 HA GLU 9 4.726 4.472 -6.226 68 HB2 GLU 9 1HB GLU 9 5.649 6.189 -7.741 69 HB3 GLU 9 2HB GLU 9 3.932 6.414 -7.444 70 HG2 GLU 9 1HG GLU 9 4.701 8.061 -5.612 71 HG3 GLU 9 2HG GLU 9 6.242 8.036 -6.468 72 H ASN 10 H ASN 10 5.933 6.824 -3.945 73 HA ASN 10 HA ASN 10 8.685 6.529 -4.398 74 HB2 ASN 10 1HB ASN 10 7.046 7.383 -2.032 75 HB3 ASN 10 2HB ASN 10 8.790 7.189 -1.876 76 HD21 ASN 10 2HD2 ASN 10 6.281 8.844 -3.710 77 HD22 ASN 10 1HD2 ASN 10 7.232 10.231 -4.106 78 H TYR 11 H TYR 11 6.385 4.484 -2.821 79 HA TYR 11 HA TYR 11 8.142 2.995 -1.192 80 HB2 TYR 11 1HB TYR 11 5.449 3.059 -1.508 81 HB3 TYR 11 2HB TYR 11 5.832 1.563 -2.351 82 HD1 TYR 11 HD2 TYR 11 6.320 3.324 0.889 83 HD2 TYR 11 HD1 TYR 11 6.197 -0.409 -1.148 84 HE1 TYR 11 HE2 TYR 11 6.446 2.149 3.046 85 HE2 TYR 11 HE1 TYR 11 6.321 -1.594 1.003 86 HH TYR 11 HH TYR 11 7.228 -1.030 3.365 87 HA PRO 12 HA PRO 12 10.359 0.648 -4.199 88 HB2 PRO 12 1HB PRO 12 11.269 -1.312 -2.555 89 HB3 PRO 12 2HB PRO 12 11.930 0.327 -2.553 90 HG2 PRO 12 1HG PRO 12 9.929 -0.912 -0.702 91 HG3 PRO 12 2HG PRO 12 11.307 0.137 -0.321 92 HD2 PRO 12 1HD PRO 12 8.765 1.059 -0.445 93 HD3 PRO 12 2HD PRO 12 10.165 2.056 -0.889 94 H VAL 13 H VAL 13 9.813 -0.907 -5.608 95 HA VAL 13 HA VAL 13 7.403 -2.370 -5.307 96 HB VAL 13 HB VAL 13 9.607 -2.800 -7.328 97 HG11 VAL 13 1HG1 VAL 13 7.751 -3.733 -8.707 98 HG12 VAL 13 2HG1 VAL 13 8.141 -4.694 -7.278 99 HG13 VAL 13 3HG1 VAL 13 6.717 -3.653 -7.280 100 HG21 VAL 13 3HG2 VAL 13 7.964 -0.560 -6.959 101 HG22 VAL 13 1HG2 VAL 13 8.970 -0.936 -8.358 102 HG23 VAL 13 2HG2 VAL 13 7.281 -1.439 -8.327 103 H SER 14 H SER 14 10.638 -2.995 -4.381 104 HA SER 14 HA SER 14 10.594 -5.831 -4.463 105 HB2 SER 14 1HB SER 14 12.283 -3.831 -2.965 106 HB3 SER 14 2HB SER 14 12.494 -5.569 -2.752 107 HG SER 14 HG SER 14 12.806 -5.678 -5.057 108 H LYS 15 H LYS 15 9.606 -3.452 -2.084 109 HA LYS 15 HA LYS 15 9.265 -5.260 0.079 110 HB2 LYS 15 1HB LYS 15 8.529 -2.449 -0.510 111 HB3 LYS 15 2HB LYS 15 7.565 -3.269 0.712 112 HG2 LYS 15 1HG LYS 15 9.458 -2.003 1.652 113 HG3 LYS 15 2HG LYS 15 9.525 -3.727 2.027 114 HD2 LYS 15 1HD LYS 15 11.265 -4.106 0.509 115 HD3 LYS 15 2HD LYS 15 10.974 -2.588 -0.342 116 HE2 LYS 15 1HE LYS 15 11.712 -1.364 1.676 117 HE3 LYS 15 2HE LYS 15 12.087 -2.907 2.443 118 HZ1 LYS 15 3HZ LYS 15 13.579 -1.426 0.481 119 HZ2 LYS 15 1HZ LYS 15 13.406 -3.064 0.088 120 HZ3 LYS 15 2HZ LYS 15 14.100 -2.616 1.564 121 H CYS 16 H CYS 16 7.333 -4.409 -2.667 122 HA CYS 16 HA CYS 16 4.773 -5.021 -1.833 123 HB2 CYS 16 1HB CYS 16 5.213 -4.108 -4.038 124 HB3 CYS 16 2HB CYS 16 6.071 -5.572 -4.508 125 H GLN 17 H GLN 17 7.427 -7.168 -2.585 126 HA GLN 17 HA GLN 17 6.071 -9.573 -2.908 127 HB2 GLN 17 1HB GLN 17 8.732 -9.204 -1.525 128 HB3 GLN 17 2HB GLN 17 8.145 -10.670 -2.299 129 HG2 GLN 17 1HG GLN 17 8.152 -9.504 -4.463 130 HG3 GLN 17 2HG GLN 17 8.804 -8.072 -3.669 131 HE21 GLN 17 2HE2 GLN 17 10.121 -9.238 -5.763 132 HE22 GLN 17 1HE2 GLN 17 11.581 -9.969 -5.200 133 H LEU 18 H LEU 18 6.653 -7.701 -0.051 134 HA LEU 18 HA LEU 18 5.694 -9.894 1.650 135 HB2 LEU 18 1HB LEU 18 6.936 -7.258 2.421 136 HB3 LEU 18 2HB LEU 18 6.481 -8.549 3.531 137 HG LEU 18 HG LEU 18 8.533 -8.949 1.370 138 HD11 LEU 18 1HD1 LEU 18 9.525 -7.214 2.551 139 HD12 LEU 18 2HD1 LEU 18 10.153 -8.653 3.353 140 HD13 LEU 18 3HD1 LEU 18 8.840 -7.736 4.091 141 HD21 LEU 18 3HD2 LEU 18 8.727 -11.001 2.207 142 HD22 LEU 18 1HD2 LEU 18 7.257 -10.681 3.126 143 HD23 LEU 18 2HD2 LEU 18 8.835 -10.392 3.859 144 H ALA 19 H ALA 19 3.716 -9.857 2.510 145 HA ALA 19 HA ALA 19 1.914 -7.718 1.817 146 HB1 ALA 19 3HB ALA 19 0.782 -9.690 1.666 147 HB2 ALA 19 1HB ALA 19 1.654 -10.423 3.013 148 HB3 ALA 19 2HB ALA 19 0.368 -9.255 3.324 149 H ASN 20 H ASN 20 3.102 -9.146 4.857 150 HA ASN 20 HA ASN 20 1.778 -7.429 6.612 151 HB2 ASN 20 1HB ASN 20 4.454 -8.805 6.943 152 HB3 ASN 20 2HB ASN 20 3.537 -8.064 8.251 153 HD21 ASN 20 2HD2 ASN 20 4.285 -10.913 6.952 154 HD22 ASN 20 1HD2 ASN 20 2.874 -11.827 7.352 155 H GLN 21 H GLN 21 4.908 -7.095 5.005 156 HA GLN 21 HA GLN 21 5.847 -4.828 6.311 157 HB2 GLN 21 1HB GLN 21 7.212 -6.151 4.764 158 HB3 GLN 21 2HB GLN 21 6.224 -5.608 3.415 159 HG2 GLN 21 1HG GLN 21 8.003 -4.197 3.229 160 HG3 GLN 21 2HG GLN 21 6.933 -3.232 4.244 161 HE21 GLN 21 2HE2 GLN 21 10.023 -4.213 3.866 162 HE22 GLN 21 1HE2 GLN 21 10.585 -4.067 5.493 163 H CYS 22 H CYS 22 3.812 -5.062 3.408 164 HA CYS 22 HA CYS 22 3.606 -2.342 2.845 165 HB2 CYS 22 1HB CYS 22 2.251 -4.781 2.054 166 HB3 CYS 22 2HB CYS 22 1.121 -3.437 2.180 167 H ASN 23 H ASN 23 1.132 -4.324 4.488 168 HA ASN 23 HA ASN 23 -0.452 -2.214 5.362 169 HB2 ASN 23 1HB ASN 23 -1.687 -3.805 6.413 170 HB3 ASN 23 2HB ASN 23 -0.664 -4.904 5.492 171 HD21 ASN 23 2HD2 ASN 23 -1.348 -3.555 8.609 172 HD22 ASN 23 1HD2 ASN 23 -0.378 -4.655 9.525 173 H TYR 24 H TYR 24 2.500 -3.509 6.679 174 HA TYR 24 HA TYR 24 2.327 -2.428 9.274 175 HB2 TYR 24 1HB TYR 24 4.425 -3.604 7.577 176 HB3 TYR 24 2HB TYR 24 5.013 -2.458 8.777 177 HD1 TYR 24 HD1 TYR 24 2.146 -4.808 9.071 178 HD2 TYR 24 HD2 TYR 24 6.093 -3.839 10.332 179 HE1 TYR 24 HE1 TYR 24 2.019 -6.555 10.796 180 HE2 TYR 24 HE2 TYR 24 5.976 -5.584 12.060 181 HH TYR 24 HH TYR 24 4.228 -7.986 12.131 182 H ASP 25 H ASP 25 3.867 -1.183 6.320 183 HA ASP 25 HA ASP 25 4.588 1.304 7.565 184 HB2 ASP 25 1HB ASP 25 4.770 0.190 4.786 185 HB3 ASP 25 2HB ASP 25 5.021 1.912 5.058 186 H CYS 26 H CYS 26 1.893 0.084 5.747 187 HA CYS 26 HA CYS 26 0.817 2.633 5.019 188 HB2 CYS 26 1HB CYS 26 -0.299 -0.166 5.052 189 HB3 CYS 26 2HB CYS 26 -1.293 1.223 4.622 190 H LYS 27 H LYS 27 0.350 0.385 7.687 191 HA LYS 27 HA LYS 27 -1.772 1.987 8.842 192 HB2 LYS 27 1HB LYS 27 -0.357 -0.514 9.769 193 HB3 LYS 27 2HB LYS 27 -1.605 0.293 10.710 194 HG2 LYS 27 1HG LYS 27 -2.909 0.033 8.386 195 HG3 LYS 27 2HG LYS 27 -1.830 -1.359 8.277 196 HD2 LYS 27 1HD LYS 27 -3.692 -0.746 10.572 197 HD3 LYS 27 2HD LYS 27 -3.968 -1.955 9.315 198 HE2 LYS 27 1HE LYS 27 -2.943 -3.408 10.659 199 HE3 LYS 27 2HE LYS 27 -1.446 -2.559 10.280 200 HZ1 LYS 27 3HZ LYS 27 -3.117 -1.469 12.414 201 HZ2 LYS 27 1HZ LYS 27 -1.432 -1.498 12.269 202 HZ3 LYS 27 2HZ LYS 27 -2.264 -2.891 12.744 203 H LEU 28 H LEU 28 1.585 2.029 8.840 204 HA LEU 28 HA LEU 28 1.965 2.971 11.536 205 HB2 LEU 28 1HB LEU 28 3.736 1.752 10.434 206 HB3 LEU 28 2HB LEU 28 3.791 2.944 9.138 207 HG LEU 28 HG LEU 28 4.322 3.871 11.915 208 HD11 LEU 28 1HD1 LEU 28 6.020 2.485 12.249 209 HD12 LEU 28 2HD1 LEU 28 6.810 3.186 10.837 210 HD13 LEU 28 3HD1 LEU 28 5.800 1.751 10.660 211 HD21 LEU 28 3HD2 LEU 28 6.161 5.005 10.316 212 HD22 LEU 28 1HD2 LEU 28 4.544 5.665 10.564 213 HD23 LEU 28 2HD2 LEU 28 4.888 4.687 9.136 214 H ASP 29 H ASP 29 2.516 4.501 8.358 215 HA ASP 29 HA ASP 29 2.223 7.125 9.606 216 HB2 ASP 29 1HB ASP 29 3.410 6.109 7.070 217 HB3 ASP 29 2HB ASP 29 2.785 7.756 7.075 218 H LYS 30 H LYS 30 0.917 5.343 6.812 219 HA LYS 30 HA LYS 30 -1.117 7.262 6.274 220 HB2 LYS 30 1HB LYS 30 -0.290 4.643 5.225 221 HB3 LYS 30 2HB LYS 30 -2.020 4.946 5.119 222 HG2 LYS 30 1HG LYS 30 -0.112 7.033 4.178 223 HG3 LYS 30 2HG LYS 30 -0.437 5.625 3.165 224 HD2 LYS 30 1HD LYS 30 -2.078 7.015 2.404 225 HD3 LYS 30 2HD LYS 30 -2.948 6.259 3.741 226 HE2 LYS 30 1HE LYS 30 -2.719 8.130 5.106 227 HE3 LYS 30 2HE LYS 30 -1.374 8.771 4.165 228 HZ1 LYS 30 3HZ LYS 30 -3.907 9.623 3.966 229 HZ2 LYS 30 1HZ LYS 30 -3.851 8.501 2.702 230 HZ3 LYS 30 2HZ LYS 30 -2.752 9.786 2.742 231 H HIS 31 H HIS 31 -0.780 4.945 8.682 232 HA HIS 31 HA HIS 31 -2.191 3.992 10.199 233 HB2 HIS 31 1HB HIS 31 -2.538 6.540 10.467 234 HB3 HIS 31 2HB HIS 31 -4.082 6.269 9.664 235 HD1 HIS 31 HD1 HIS 31 -2.769 3.732 12.072 236 HD2 HIS 31 HD2 HIS 31 -5.509 6.853 12.003 237 HE1 HIS 31 HE1 HIS 31 -4.107 3.498 14.188 238 H ALA 32 H ALA 32 -2.558 3.287 7.364 239 HA ALA 32 HA ALA 32 -5.269 3.052 6.683 240 HB1 ALA 32 3HB ALA 32 -2.854 2.368 5.515 241 HB2 ALA 32 1HB ALA 32 -3.676 0.823 5.739 242 HB3 ALA 32 2HB ALA 32 -4.461 2.116 4.832 243 H ARG 33 H ARG 33 -5.720 0.371 6.165 244 HA ARG 33 HA ARG 33 -5.731 -0.899 8.815 245 HB2 ARG 33 1HB ARG 33 -7.928 0.281 8.184 246 HB3 ARG 33 2HB ARG 33 -8.124 -0.999 6.995 247 HG2 ARG 33 1HG ARG 33 -7.692 -2.543 9.084 248 HG3 ARG 33 2HG ARG 33 -8.267 -1.121 9.957 249 HD2 ARG 33 1HD ARG 33 -10.282 -2.080 9.595 250 HD3 ARG 33 2HD ARG 33 -10.138 -1.253 8.043 251 HE ARG 33 HE ARG 33 -10.034 -3.294 7.035 252 HH11 ARG 33 1HH1 ARG 33 -9.173 -3.670 10.387 253 HH12 ARG 33 2HH1 ARG 33 -9.071 -5.398 10.302 254 HH21 ARG 33 1HH2 ARG 33 -9.903 -5.568 6.910 255 HH22 ARG 33 2HH2 ARG 33 -9.485 -6.476 8.324 256 H SER 34 H SER 34 -6.087 -1.265 5.324 257 HA SER 34 HA SER 34 -5.105 -4.027 5.592 258 HB2 SER 34 1HB SER 34 -7.628 -3.657 4.940 259 HB3 SER 34 2HB SER 34 -6.954 -3.297 3.351 260 HG SER 34 HG SER 34 -7.395 -5.671 4.432 261 H GLY 35 H GLY 35 -3.491 -1.763 5.177 262 HA2 GLY 35 1HA GLY 35 -2.897 -1.011 2.605 263 HA3 GLY 35 2HA GLY 35 -1.688 -1.195 3.866 264 H GLU 36 H GLU 36 -2.304 -2.029 0.817 265 HA GLU 36 HA GLU 36 -0.490 -4.277 0.918 266 HB2 GLU 36 1HB GLU 36 -2.978 -5.073 1.178 267 HB3 GLU 36 2HB GLU 36 -3.050 -4.772 -0.554 268 HG2 GLU 36 1HG GLU 36 -1.460 -6.416 -1.024 269 HG3 GLU 36 2HG GLU 36 -0.910 -6.490 0.648 270 H CYS 37 H CYS 37 0.055 -5.042 -1.325 271 HA CYS 37 HA CYS 37 0.040 -2.737 -3.154 272 HB2 CYS 37 1HB CYS 37 2.106 -3.550 -4.061 273 HB3 CYS 37 2HB CYS 37 2.257 -3.558 -2.305 274 H PHE 38 H PHE 38 -0.438 -3.006 -5.326 275 HA PHE 38 HA PHE 38 -0.978 -5.542 -6.499 276 HB2 PHE 38 1HB PHE 38 -3.437 -5.122 -6.865 277 HB3 PHE 38 2HB PHE 38 -2.992 -5.519 -5.208 278 HD1 PHE 38 HD1 PHE 38 -3.091 -3.844 -3.456 279 HD2 PHE 38 HD2 PHE 38 -4.231 -2.929 -7.453 280 HE1 PHE 38 HE1 PHE 38 -4.198 -1.794 -2.667 281 HE2 PHE 38 HE2 PHE 38 -5.339 -0.876 -6.671 282 HZ PHE 38 HZ PHE 38 -5.325 -0.307 -4.275 283 H TYR 39 H TYR 39 -1.849 -5.326 -8.720 284 HA TYR 39 HA TYR 39 -0.481 -3.371 -10.170 285 HB2 TYR 39 1HB TYR 39 -1.845 -4.144 -12.106 286 HB3 TYR 39 2HB TYR 39 -1.110 -5.464 -11.203 287 HD1 TYR 39 HD2 TYR 39 -4.268 -3.738 -11.968 288 HD2 TYR 39 HD1 TYR 39 -2.460 -7.059 -10.019 289 HE1 TYR 39 HE2 TYR 39 -6.478 -4.785 -11.715 290 HE2 TYR 39 HE1 TYR 39 -4.666 -8.116 -9.761 291 HH TYR 39 HH TYR 39 -7.556 -6.710 -11.203 292 H ASP 40 H ASP 40 -1.021 -1.420 -11.007 293 HA ASP 40 HA ASP 40 -3.538 -0.247 -10.059 294 HB2 ASP 40 1HB ASP 40 -0.944 0.698 -9.943 295 HB3 ASP 40 2HB ASP 40 -1.626 1.577 -11.309 296 H GLU 41 H GLU 41 -3.863 1.849 -11.757 297 HA GLU 41 HA GLU 41 -5.099 0.619 -13.996 298 HB2 GLU 41 1HB GLU 41 -5.775 2.834 -14.639 299 HB3 GLU 41 2HB GLU 41 -5.914 2.700 -12.892 300 HG2 GLU 41 1HG GLU 41 -3.597 3.769 -12.807 301 HG3 GLU 41 2HG GLU 41 -3.870 4.187 -14.497 302 H LYS 42 H LYS 42 -1.953 1.860 -13.435 303 HA LYS 42 HA LYS 42 -1.369 2.140 -16.281 304 HB2 LYS 42 1HB LYS 42 0.234 2.718 -13.792 305 HB3 LYS 42 2HB LYS 42 0.916 2.822 -15.410 306 HG2 LYS 42 1HG LYS 42 -0.878 4.479 -15.963 307 HG3 LYS 42 2HG LYS 42 -1.317 4.471 -14.253 308 HD2 LYS 42 1HD LYS 42 0.123 6.299 -14.452 309 HD3 LYS 42 2HD LYS 42 1.158 5.015 -13.824 310 HE2 LYS 42 1HE LYS 42 2.468 5.862 -15.514 311 HE3 LYS 42 2HE LYS 42 1.630 4.556 -16.351 312 HZ1 LYS 42 3HZ LYS 42 0.597 5.991 -17.685 313 HZ2 LYS 42 1HZ LYS 42 1.727 7.137 -17.164 314 HZ3 LYS 42 2HZ LYS 42 0.209 7.050 -16.425 315 H ARG 43 H ARG 43 -1.890 -0.454 -14.760 316 HA ARG 43 HA ARG 43 -1.132 -2.600 -14.758 317 HB2 ARG 43 1HB ARG 43 0.351 -1.481 -17.133 318 HB3 ARG 43 2HB ARG 43 0.447 -3.177 -16.676 319 HG2 ARG 43 1HG ARG 43 -1.212 -3.219 -18.258 320 HG3 ARG 43 2HG ARG 43 -2.153 -3.065 -16.772 321 HD2 ARG 43 1HD ARG 43 -2.439 -0.715 -17.120 322 HD3 ARG 43 2HD ARG 43 -1.310 -0.727 -18.474 323 HE ARG 43 HE ARG 43 -3.463 -2.490 -18.974 324 HH11 ARG 43 1HH1 ARG 43 -2.672 0.898 -18.840 325 HH12 ARG 43 2HH1 ARG 43 -3.892 1.361 -19.978 326 HH21 ARG 43 1HH2 ARG 43 -5.074 -1.892 -20.475 327 HH22 ARG 43 2HH2 ARG 43 -5.259 -0.226 -20.907 328 H ASN 44 H ASN 44 0.325 -0.494 -13.220 329 HA ASN 44 HA ASN 44 2.959 -1.795 -13.025 330 HB2 ASN 44 1HB ASN 44 2.329 0.903 -13.242 331 HB3 ASN 44 2HB ASN 44 2.671 0.689 -11.528 332 HD21 ASN 44 2HD2 ASN 44 4.021 -0.750 -14.476 333 HD22 ASN 44 1HD2 ASN 44 5.661 -0.328 -14.134 334 H LEU 45 H LEU 45 3.726 -2.491 -11.041 335 HA LEU 45 HA LEU 45 1.663 -2.995 -9.044 336 HB2 LEU 45 1HB LEU 45 4.481 -4.005 -8.920 337 HB3 LEU 45 2HB LEU 45 3.024 -4.704 -8.217 338 HG LEU 45 HG LEU 45 3.714 -4.660 -11.154 339 HD11 LEU 45 1HD1 LEU 45 5.071 -6.163 -9.619 340 HD12 LEU 45 2HD1 LEU 45 4.247 -6.938 -10.972 341 HD13 LEU 45 3HD1 LEU 45 3.572 -7.053 -9.346 342 HD21 LEU 45 3HD2 LEU 45 1.693 -6.536 -10.439 343 HD22 LEU 45 1HD2 LEU 45 1.597 -5.176 -11.558 344 HD23 LEU 45 2HD2 LEU 45 1.224 -4.940 -9.850 345 H GLN 46 H GLN 46 1.503 -1.875 -7.219 346 HA GLN 46 HA GLN 46 3.867 -0.693 -6.005 347 HB2 GLN 46 1HB GLN 46 1.444 1.011 -6.589 348 HB3 GLN 46 2HB GLN 46 2.966 1.529 -5.876 349 HG2 GLN 46 1HG GLN 46 4.091 0.947 -8.016 350 HG3 GLN 46 2HG GLN 46 2.501 0.626 -8.706 351 HE21 GLN 46 2HE2 GLN 46 3.026 2.276 -10.246 352 HE22 GLN 46 1HE2 GLN 46 2.820 3.941 -9.835 353 H CYS 47 H CYS 47 3.332 0.280 -3.841 354 HA CYS 47 HA CYS 47 1.444 -1.485 -2.482 355 HB2 CYS 47 1HB CYS 47 3.825 -1.228 -1.692 356 HB3 CYS 47 2HB CYS 47 3.427 0.427 -1.240 357 H ILE 48 H ILE 48 -0.568 -0.754 -2.305 358 HA ILE 48 HA ILE 48 -1.012 2.125 -1.925 359 HB ILE 48 HB ILE 48 -3.059 0.024 -2.637 360 HG12 ILE 48 1HG1 ILE 48 -2.823 1.450 -4.892 361 HG13 ILE 48 2HG1 ILE 48 -1.175 1.617 -4.298 362 HG21 ILE 48 1HG2 ILE 48 -3.887 2.097 -1.546 363 HG22 ILE 48 2HG2 ILE 48 -3.195 3.024 -2.876 364 HG23 ILE 48 3HG2 ILE 48 -4.492 1.870 -3.187 365 HD11 ILE 48 3HD1 ILE 48 -2.441 -0.614 -5.586 366 HD12 ILE 48 1HD1 ILE 48 -0.737 -0.339 -5.232 367 HD13 ILE 48 2HD1 ILE 48 -1.780 -1.087 -4.022 368 H CYS 49 H CYS 49 -2.112 2.922 -0.183 369 HA CYS 49 HA CYS 49 -2.687 0.997 1.970 370 HB2 CYS 49 1HB CYS 49 -2.132 3.942 2.326 371 HB3 CYS 49 2HB CYS 49 -2.137 2.687 3.560 372 H ASP 50 H ASP 50 -4.664 0.945 2.882 373 HA ASP 50 HA ASP 50 -6.629 2.945 1.972 374 HB2 ASP 50 1HB ASP 50 -7.273 0.078 2.664 375 HB3 ASP 50 2HB ASP 50 -8.313 1.257 1.869 376 H TYR 51 H TYR 51 -7.388 4.163 3.557 377 HA TYR 51 HA TYR 51 -7.369 3.084 6.297 378 HB2 TYR 51 1HB TYR 51 -5.904 5.003 6.065 379 HB3 TYR 51 2HB TYR 51 -7.198 5.946 5.334 380 HD1 TYR 51 HD2 TYR 51 -7.365 3.736 8.321 381 HD2 TYR 51 HD1 TYR 51 -7.487 7.720 6.832 382 HE1 TYR 51 HE2 TYR 51 -8.028 4.541 10.548 383 HE2 TYR 51 HE1 TYR 51 -8.150 8.536 9.056 384 HH TYR 51 HH TYR 51 -9.429 7.286 11.168 385 H CYS 52 H CYS 52 -9.269 2.685 7.196 386 HA CYS 52 HA CYS 52 -11.608 4.248 6.339 387 HB2 CYS 52 1HB CYS 52 -11.416 1.847 5.364 388 HB3 CYS 52 2HB CYS 52 -11.849 1.325 6.988 389 H GLU 53 H GLU 53 -13.150 4.661 7.914 390 HA GLU 53 HA GLU 53 -12.331 3.980 10.662 391 HB2 GLU 53 1HB GLU 53 -13.672 6.073 11.265 392 HB3 GLU 53 2HB GLU 53 -12.124 6.312 10.468 393 HG2 GLU 53 1HG GLU 53 -13.080 7.029 8.513 394 HG3 GLU 53 2HG GLU 53 -14.590 6.169 8.810 395 H TYR 54 H TYR 54 -13.576 2.410 11.435 396 HA TYR 54 HA TYR 54 -16.103 1.696 10.448 397 HB2 TYR 54 1HB TYR 54 -16.277 0.364 12.590 398 HB3 TYR 54 2HB TYR 54 -14.840 0.051 11.623 399 HD1 TYR 54 HD1 TYR 54 -16.044 1.989 14.562 400 HD2 TYR 54 HD2 TYR 54 -12.713 0.239 12.576 401 HE1 TYR 54 HE1 TYR 54 -14.632 2.471 16.518 402 HE2 TYR 54 HE2 TYR 54 -11.292 0.715 14.526 403 HH TYR 54 HH TYR 54 -11.585 2.696 16.574 Start of MODEL 13 1 H1 ASP 2 H ASP 2 -17.902 3.960 5.824 2 HA ASP 2 HA ASP 2 -17.001 5.259 3.382 3 HB2 ASP 2 1HB ASP 2 -17.077 6.595 6.068 4 HB3 ASP 2 2HB ASP 2 -17.336 7.294 4.472 5 H CYS 3 H CYS 3 -14.966 4.622 2.890 6 HA CYS 3 HA CYS 3 -12.879 5.280 4.849 7 HB2 CYS 3 1HB CYS 3 -12.707 2.861 3.055 8 HB3 CYS 3 2HB CYS 3 -11.659 3.284 4.404 9 H LYS 4 H LYS 4 -10.651 5.218 3.684 10 HA LYS 4 HA LYS 4 -10.920 6.337 0.976 11 HB2 LYS 4 1HB LYS 4 -8.965 7.875 1.702 12 HB3 LYS 4 2HB LYS 4 -10.600 8.292 2.200 13 HG2 LYS 4 1HG LYS 4 -10.225 7.523 4.405 14 HG3 LYS 4 2HG LYS 4 -8.708 6.745 3.948 15 HD2 LYS 4 1HD LYS 4 -8.173 8.773 5.092 16 HD3 LYS 4 2HD LYS 4 -7.811 9.011 3.381 17 HE2 LYS 4 1HE LYS 4 -10.234 9.959 3.285 18 HE3 LYS 4 2HE LYS 4 -10.040 10.138 5.027 19 HZ1 LYS 4 3HZ LYS 4 -8.754 11.910 4.741 20 HZ2 LYS 4 1HZ LYS 4 -9.206 11.902 3.111 21 HZ3 LYS 4 2HZ LYS 4 -7.781 11.132 3.596 22 H ARG 5 H ARG 5 -8.929 6.273 -0.289 23 HA ARG 5 HA ARG 5 -6.858 4.454 0.656 24 HB2 ARG 5 1HB ARG 5 -7.033 3.115 -1.468 25 HB3 ARG 5 2HB ARG 5 -8.355 2.883 -0.331 26 HG2 ARG 5 1HG ARG 5 -9.446 3.043 -2.357 27 HG3 ARG 5 2HG ARG 5 -9.563 4.688 -1.730 28 HD2 ARG 5 1HD ARG 5 -8.324 5.523 -3.394 29 HD3 ARG 5 2HD ARG 5 -7.139 4.225 -3.276 30 HE ARG 5 HE ARG 5 -9.313 3.074 -4.467 31 HH11 ARG 5 1HH1 ARG 5 -7.279 5.815 -5.150 32 HH12 ARG 5 2HH1 ARG 5 -7.480 5.701 -6.867 33 HH21 ARG 5 1HH2 ARG 5 -9.584 2.914 -6.726 34 HH22 ARG 5 2HH2 ARG 5 -8.792 4.051 -7.763 35 H LYS 6 H LYS 6 -4.894 4.665 -0.420 36 HA LYS 6 HA LYS 6 -4.680 6.418 -2.714 37 HB2 LYS 6 1HB LYS 6 -4.670 8.083 -0.990 38 HB3 LYS 6 2HB LYS 6 -3.535 7.153 -0.019 39 HG2 LYS 6 1HG LYS 6 -1.734 7.701 -1.361 40 HG3 LYS 6 2HG LYS 6 -2.757 8.097 -2.745 41 HD2 LYS 6 1HD LYS 6 -3.288 10.181 -1.924 42 HD3 LYS 6 2HD LYS 6 -3.003 9.710 -0.247 43 HE2 LYS 6 1HE LYS 6 -0.712 9.965 -0.431 44 HE3 LYS 6 2HE LYS 6 -0.727 9.764 -2.182 45 HZ1 LYS 6 3HZ LYS 6 -2.113 11.973 -2.035 46 HZ2 LYS 6 1HZ LYS 6 -0.421 11.998 -2.038 47 HZ3 LYS 6 2HZ LYS 6 -1.267 12.153 -0.581 48 H VAL 7 H VAL 7 -2.905 5.990 -3.935 49 HA VAL 7 HA VAL 7 -1.215 3.778 -3.035 50 HB VAL 7 HB VAL 7 -2.235 3.447 -5.192 51 HG11 VAL 7 1HG1 VAL 7 -1.655 4.955 -7.099 52 HG12 VAL 7 2HG1 VAL 7 -2.683 5.696 -5.871 53 HG13 VAL 7 3HG1 VAL 7 -0.962 6.077 -5.928 54 HG21 VAL 7 3HG2 VAL 7 -0.244 3.061 -6.568 55 HG22 VAL 7 1HG2 VAL 7 0.699 4.085 -5.484 56 HG23 VAL 7 2HG2 VAL 7 0.020 2.568 -4.895 57 H TYR 8 H TYR 8 0.977 3.907 -2.840 58 HA TYR 8 HA TYR 8 2.198 6.555 -3.269 59 HB2 TYR 8 1HB TYR 8 1.803 5.364 -0.820 60 HB3 TYR 8 2HB TYR 8 3.457 4.901 -1.201 61 HD1 TYR 8 HD2 TYR 8 4.619 7.156 -2.504 62 HD2 TYR 8 HD1 TYR 8 1.803 7.111 0.685 63 HE1 TYR 8 HE2 TYR 8 5.409 9.371 -1.782 64 HE2 TYR 8 HE1 TYR 8 2.585 9.325 1.415 65 HH TYR 8 HH TYR 8 3.799 11.373 0.101 66 H GLU 9 H GLU 9 2.939 5.862 -5.324 67 HA GLU 9 HA GLU 9 4.423 3.539 -5.810 68 HB2 GLU 9 1HB GLU 9 5.258 4.733 -7.821 69 HB3 GLU 9 2HB GLU 9 3.512 4.820 -7.640 70 HG2 GLU 9 1HG GLU 9 3.644 7.072 -6.837 71 HG3 GLU 9 2HG GLU 9 5.406 7.000 -6.798 72 H ASN 10 H ASN 10 5.268 6.442 -4.193 73 HA ASN 10 HA ASN 10 8.019 6.578 -4.626 74 HB2 ASN 10 1HB ASN 10 6.336 8.115 -3.264 75 HB3 ASN 10 2HB ASN 10 6.949 7.177 -1.905 76 HD21 ASN 10 2HD2 ASN 10 8.033 9.059 -4.696 77 HD22 ASN 10 1HD2 ASN 10 9.441 9.707 -3.933 78 H TYR 11 H TYR 11 6.151 4.316 -2.824 79 HA TYR 11 HA TYR 11 8.243 3.409 -1.102 80 HB2 TYR 11 1HB TYR 11 5.497 2.477 -1.802 81 HB3 TYR 11 2HB TYR 11 6.593 1.331 -1.041 82 HD1 TYR 11 HD1 TYR 11 8.031 2.835 0.922 83 HD2 TYR 11 HD2 TYR 11 3.960 3.223 -0.253 84 HE1 TYR 11 HE1 TYR 11 7.491 3.780 3.128 85 HE2 TYR 11 HE2 TYR 11 3.409 4.169 1.950 86 HH TYR 11 HH TYR 11 5.898 4.965 4.283 87 HA PRO 12 HA PRO 12 10.465 0.680 -3.723 88 HB2 PRO 12 1HB PRO 12 11.128 -1.302 -1.989 89 HB3 PRO 12 2HB PRO 12 11.869 0.303 -1.944 90 HG2 PRO 12 1HG PRO 12 9.655 -0.810 -0.264 91 HG3 PRO 12 2HG PRO 12 11.046 0.174 0.228 92 HD2 PRO 12 1HD PRO 12 8.574 1.220 -0.127 93 HD3 PRO 12 2HD PRO 12 10.056 2.140 -0.456 94 H VAL 13 H VAL 13 9.611 -0.554 -5.267 95 HA VAL 13 HA VAL 13 7.267 -2.110 -4.919 96 HB VAL 13 HB VAL 13 9.251 -2.302 -7.187 97 HG11 VAL 13 1HG1 VAL 13 7.770 -4.093 -7.397 98 HG12 VAL 13 2HG1 VAL 13 6.395 -3.146 -6.825 99 HG13 VAL 13 3HG1 VAL 13 7.068 -2.847 -8.428 100 HG21 VAL 13 3HG2 VAL 13 8.765 -0.085 -7.352 101 HG22 VAL 13 1HG2 VAL 13 7.355 -0.729 -8.193 102 HG23 VAL 13 2HG2 VAL 13 7.228 -0.245 -6.502 103 H SER 14 H SER 14 10.544 -2.737 -4.281 104 HA SER 14 HA SER 14 10.591 -5.536 -4.767 105 HB2 SER 14 1HB SER 14 12.310 -4.189 -2.700 106 HB3 SER 14 2HB SER 14 12.712 -5.531 -3.772 107 HG SER 14 HG SER 14 13.642 -3.926 -4.820 108 H LYS 15 H LYS 15 9.519 -3.551 -2.118 109 HA LYS 15 HA LYS 15 9.327 -5.765 -0.266 110 HB2 LYS 15 1HB LYS 15 8.791 -2.834 -0.163 111 HB3 LYS 15 2HB LYS 15 7.966 -3.863 1.001 112 HG2 LYS 15 1HG LYS 15 10.037 -2.937 1.903 113 HG3 LYS 15 2HG LYS 15 10.093 -4.699 1.810 114 HD2 LYS 15 1HD LYS 15 11.417 -4.580 -0.217 115 HD3 LYS 15 2HD LYS 15 11.292 -2.820 -0.224 116 HE2 LYS 15 1HE LYS 15 12.441 -2.817 2.000 117 HE3 LYS 15 2HE LYS 15 12.704 -4.549 1.801 118 HZ1 LYS 15 3HZ LYS 15 13.732 -3.773 -0.454 119 HZ2 LYS 15 1HZ LYS 15 14.644 -3.716 0.971 120 HZ3 LYS 15 2HZ LYS 15 13.931 -2.306 0.365 121 H CYS 16 H CYS 16 7.464 -4.540 -2.787 122 HA CYS 16 HA CYS 16 4.846 -4.743 -1.943 123 HB2 CYS 16 1HB CYS 16 5.323 -3.927 -4.144 124 HB3 CYS 16 2HB CYS 16 6.086 -5.446 -4.605 125 H GLN 17 H GLN 17 7.066 -7.311 -2.892 126 HA GLN 17 HA GLN 17 5.285 -9.440 -3.035 127 HB2 GLN 17 1HB GLN 17 7.259 -10.865 -2.453 128 HB3 GLN 17 2HB GLN 17 7.548 -9.731 -3.766 129 HG2 GLN 17 1HG GLN 17 8.395 -8.233 -1.729 130 HG3 GLN 17 2HG GLN 17 8.704 -9.830 -1.051 131 HE21 GLN 17 2HE2 GLN 17 8.962 -8.482 -4.322 132 HE22 GLN 17 1HE2 GLN 17 10.615 -8.925 -4.560 133 H LEU 18 H LEU 18 6.708 -7.861 -0.253 134 HA LEU 18 HA LEU 18 5.897 -9.851 1.636 135 HB2 LEU 18 1HB LEU 18 7.065 -7.121 1.764 136 HB3 LEU 18 2HB LEU 18 6.278 -7.756 3.208 137 HG LEU 18 HG LEU 18 8.816 -8.030 2.989 138 HD11 LEU 18 1HD1 LEU 18 8.773 -10.056 4.218 139 HD12 LEU 18 2HD1 LEU 18 7.251 -10.552 3.479 140 HD13 LEU 18 3HD1 LEU 18 7.282 -9.196 4.607 141 HD21 LEU 18 3HD2 LEU 18 9.575 -9.964 1.739 142 HD22 LEU 18 1HD2 LEU 18 8.798 -8.808 0.657 143 HD23 LEU 18 2HD2 LEU 18 7.935 -10.262 1.161 144 H ALA 19 H ALA 19 4.030 -10.051 2.715 145 HA ALA 19 HA ALA 19 1.861 -8.224 2.036 146 HB1 ALA 19 3HB ALA 19 0.671 -10.103 3.555 147 HB2 ALA 19 1HB ALA 19 0.931 -10.265 1.817 148 HB3 ALA 19 2HB ALA 19 2.054 -11.017 2.951 149 H ASN 20 H ASN 20 3.868 -9.123 4.728 150 HA ASN 20 HA ASN 20 2.187 -7.715 6.643 151 HB2 ASN 20 1HB ASN 20 3.754 -8.500 8.325 152 HB3 ASN 20 2HB ASN 20 3.295 -9.842 7.281 153 HD21 ASN 20 2HD2 ASN 20 5.839 -7.990 8.531 154 HD22 ASN 20 1HD2 ASN 20 7.128 -8.722 7.642 155 H GLN 21 H GLN 21 4.770 -7.051 4.548 156 HA GLN 21 HA GLN 21 5.931 -4.929 6.124 157 HB2 GLN 21 1HB GLN 21 7.289 -6.270 4.548 158 HB3 GLN 21 2HB GLN 21 6.347 -5.624 3.210 159 HG2 GLN 21 1HG GLN 21 8.119 -4.221 3.114 160 HG3 GLN 21 2HG GLN 21 7.118 -3.322 4.254 161 HE21 GLN 21 2HE2 GLN 21 8.248 -2.526 5.859 162 HE22 GLN 21 1HE2 GLN 21 9.604 -3.271 6.627 163 H CYS 22 H CYS 22 3.807 -5.206 3.307 164 HA CYS 22 HA CYS 22 3.617 -2.484 2.688 165 HB2 CYS 22 1HB CYS 22 2.377 -4.909 1.850 166 HB3 CYS 22 2HB CYS 22 1.107 -3.733 2.170 167 H ASN 23 H ASN 23 1.191 -4.450 4.419 168 HA ASN 23 HA ASN 23 -0.389 -2.337 5.291 169 HB2 ASN 23 1HB ASN 23 -1.575 -3.911 6.433 170 HB3 ASN 23 2HB ASN 23 -0.599 -5.013 5.466 171 HD21 ASN 23 2HD2 ASN 23 0.727 -6.395 6.463 172 HD22 ASN 23 1HD2 ASN 23 1.018 -6.431 8.165 173 H TYR 24 H TYR 24 2.615 -3.564 6.545 174 HA TYR 24 HA TYR 24 2.463 -2.364 9.114 175 HB2 TYR 24 1HB TYR 24 4.009 -4.151 8.836 176 HB3 TYR 24 2HB TYR 24 4.774 -3.371 7.456 177 HD1 TYR 24 HD1 TYR 24 4.242 -3.011 11.119 178 HD2 TYR 24 HD2 TYR 24 6.652 -2.014 7.758 179 HE1 TYR 24 HE1 TYR 24 5.909 -2.002 12.621 180 HE2 TYR 24 HE2 TYR 24 8.326 -1.003 9.251 181 HH TYR 24 HH TYR 24 7.986 0.065 11.940 182 H ASP 25 H ASP 25 3.847 -1.344 6.022 183 HA ASP 25 HA ASP 25 4.867 1.125 7.083 184 HB2 ASP 25 1HB ASP 25 4.466 0.317 4.196 185 HB3 ASP 25 2HB ASP 25 5.467 1.642 4.783 186 H CYS 26 H CYS 26 1.921 0.043 5.586 187 HA CYS 26 HA CYS 26 0.957 2.682 4.967 188 HB2 CYS 26 1HB CYS 26 -0.284 -0.062 4.942 189 HB3 CYS 26 2HB CYS 26 -1.248 1.384 4.663 190 H LYS 27 H LYS 27 0.104 0.205 7.378 191 HA LYS 27 HA LYS 27 -1.743 1.853 8.766 192 HB2 LYS 27 1HB LYS 27 -0.251 -0.597 9.724 193 HB3 LYS 27 2HB LYS 27 -1.641 0.127 10.521 194 HG2 LYS 27 1HG LYS 27 -3.087 -0.474 8.746 195 HG3 LYS 27 2HG LYS 27 -1.733 -0.914 7.703 196 HD2 LYS 27 1HD LYS 27 -2.373 -2.993 8.412 197 HD3 LYS 27 2HD LYS 27 -1.212 -2.590 9.679 198 HE2 LYS 27 1HE LYS 27 -2.927 -2.023 11.202 199 HE3 LYS 27 2HE LYS 27 -4.151 -2.003 9.932 200 HZ1 LYS 27 3HZ LYS 27 -3.716 -4.430 9.661 201 HZ2 LYS 27 1HZ LYS 27 -4.411 -4.004 11.144 202 HZ3 LYS 27 2HZ LYS 27 -2.761 -4.369 11.056 203 H LEU 28 H LEU 28 1.620 1.876 8.625 204 HA LEU 28 HA LEU 28 2.120 2.769 11.313 205 HB2 LEU 28 1HB LEU 28 3.911 1.646 10.303 206 HB3 LEU 28 2HB LEU 28 3.771 2.583 8.817 207 HG LEU 28 HG LEU 28 4.626 4.563 10.016 208 HD11 LEU 28 1HD1 LEU 28 4.225 2.830 12.299 209 HD12 LEU 28 2HD1 LEU 28 4.468 4.575 12.233 210 HD13 LEU 28 3HD1 LEU 28 5.860 3.491 12.252 211 HD21 LEU 28 3HD2 LEU 28 6.227 3.333 8.785 212 HD22 LEU 28 1HD2 LEU 28 6.295 2.061 10.003 213 HD23 LEU 28 2HD2 LEU 28 6.960 3.655 10.357 214 H ASP 29 H ASP 29 2.545 4.373 8.153 215 HA ASP 29 HA ASP 29 2.294 6.966 9.472 216 HB2 ASP 29 1HB ASP 29 3.438 5.997 6.913 217 HB3 ASP 29 2HB ASP 29 2.743 7.615 6.899 218 H LYS 30 H LYS 30 0.879 5.226 6.707 219 HA LYS 30 HA LYS 30 -1.163 7.156 6.259 220 HB2 LYS 30 1HB LYS 30 -0.383 4.550 5.157 221 HB3 LYS 30 2HB LYS 30 -2.118 4.838 5.136 222 HG2 LYS 30 1HG LYS 30 -0.343 7.001 4.147 223 HG3 LYS 30 2HG LYS 30 -0.550 5.566 3.140 224 HD2 LYS 30 1HD LYS 30 -2.291 6.830 2.370 225 HD3 LYS 30 2HD LYS 30 -3.102 5.986 3.690 226 HE2 LYS 30 1HE LYS 30 -3.280 7.857 4.954 227 HE3 LYS 30 2HE LYS 30 -1.742 8.512 4.392 228 HZ1 LYS 30 3HZ LYS 30 -4.140 9.449 3.658 229 HZ2 LYS 30 1HZ LYS 30 -3.817 8.386 2.383 230 HZ3 LYS 30 2HZ LYS 30 -2.731 9.631 2.741 231 H HIS 31 H HIS 31 -0.745 4.852 8.655 232 HA HIS 31 HA HIS 31 -2.099 3.903 10.226 233 HB2 HIS 31 1HB HIS 31 -3.722 6.384 9.633 234 HB3 HIS 31 2HB HIS 31 -3.944 5.348 11.038 235 HD1 HIS 31 HD1 HIS 31 -2.165 8.287 9.933 236 HD2 HIS 31 HD2 HIS 31 -1.515 5.286 12.731 237 HE1 HIS 31 HE1 HIS 31 -0.417 9.194 11.498 238 H ALA 32 H ALA 32 -2.575 3.226 7.379 239 HA ALA 32 HA ALA 32 -5.313 2.948 6.836 240 HB1 ALA 32 3HB ALA 32 -3.726 0.775 5.762 241 HB2 ALA 32 1HB ALA 32 -4.587 2.067 4.924 242 HB3 ALA 32 2HB ALA 32 -2.951 2.341 5.527 243 H ARG 33 H ARG 33 -5.696 0.248 6.278 244 HA ARG 33 HA ARG 33 -5.572 -1.051 8.912 245 HB2 ARG 33 1HB ARG 33 -7.920 -1.945 8.342 246 HB3 ARG 33 2HB ARG 33 -7.782 -0.290 8.922 247 HG2 ARG 33 1HG ARG 33 -8.641 0.540 7.048 248 HG3 ARG 33 2HG ARG 33 -7.593 -0.455 6.034 249 HD2 ARG 33 1HD ARG 33 -9.254 -2.357 6.866 250 HD3 ARG 33 2HD ARG 33 -10.340 -0.978 7.031 251 HE ARG 33 HE ARG 33 -9.165 -0.829 4.511 252 HH11 ARG 33 1HH1 ARG 33 -11.314 -2.923 6.276 253 HH12 ARG 33 2HH1 ARG 33 -12.157 -3.466 4.863 254 HH21 ARG 33 1HH2 ARG 33 -10.268 -1.536 2.643 255 HH22 ARG 33 2HH2 ARG 33 -11.560 -2.677 2.797 256 H SER 34 H SER 34 -6.011 -1.388 5.430 257 HA SER 34 HA SER 34 -4.961 -4.131 5.642 258 HB2 SER 34 1HB SER 34 -6.995 -3.217 3.597 259 HB3 SER 34 2HB SER 34 -6.414 -4.862 3.862 260 HG SER 34 HG SER 34 -8.149 -3.308 5.437 261 H GLY 35 H GLY 35 -3.376 -1.846 5.272 262 HA2 GLY 35 1HA GLY 35 -2.792 -1.005 2.732 263 HA3 GLY 35 2HA GLY 35 -1.572 -1.248 3.972 264 H GLU 36 H GLU 36 -2.274 -1.977 0.898 265 HA GLU 36 HA GLU 36 -0.421 -4.188 0.856 266 HB2 GLU 36 1HB GLU 36 -2.894 -5.034 1.219 267 HB3 GLU 36 2HB GLU 36 -3.020 -4.742 -0.509 268 HG2 GLU 36 1HG GLU 36 -1.518 -6.400 -1.040 269 HG3 GLU 36 2HG GLU 36 -0.744 -6.352 0.543 270 H CYS 37 H CYS 37 0.128 -4.838 -1.380 271 HA CYS 37 HA CYS 37 -0.069 -2.515 -3.168 272 HB2 CYS 37 1HB CYS 37 1.970 -3.224 -4.169 273 HB3 CYS 37 2HB CYS 37 2.198 -3.371 -2.430 274 H PHE 38 H PHE 38 -0.492 -2.798 -5.394 275 HA PHE 38 HA PHE 38 -1.235 -5.363 -6.444 276 HB2 PHE 38 1HB PHE 38 -3.302 -3.471 -5.459 277 HB3 PHE 38 2HB PHE 38 -3.611 -4.251 -7.007 278 HD1 PHE 38 HD1 PHE 38 -2.822 -6.908 -6.838 279 HD2 PHE 38 HD2 PHE 38 -4.390 -4.473 -3.720 280 HE1 PHE 38 HE1 PHE 38 -3.611 -8.923 -5.667 281 HE2 PHE 38 HE2 PHE 38 -5.181 -6.483 -2.543 282 HZ PHE 38 HZ PHE 38 -4.790 -8.713 -3.516 283 H TYR 39 H TYR 39 -1.703 -5.304 -8.706 284 HA TYR 39 HA TYR 39 -0.168 -3.477 -10.156 285 HB2 TYR 39 1HB TYR 39 -1.170 -4.468 -12.153 286 HB3 TYR 39 2HB TYR 39 -0.756 -5.717 -10.986 287 HD1 TYR 39 HD1 TYR 39 -2.542 -6.856 -9.707 288 HD2 TYR 39 HD2 TYR 39 -3.441 -4.069 -12.794 289 HE1 TYR 39 HE1 TYR 39 -4.847 -7.709 -9.797 290 HE2 TYR 39 HE2 TYR 39 -5.749 -4.914 -12.892 291 HH TYR 39 HH TYR 39 -7.310 -6.145 -11.725 292 H ASP 40 H ASP 40 -0.574 -1.562 -11.098 293 HA ASP 40 HA ASP 40 -3.150 -0.310 -10.547 294 HB2 ASP 40 1HB ASP 40 -0.606 0.645 -10.342 295 HB3 ASP 40 2HB ASP 40 -1.071 1.264 -11.923 296 H GLU 41 H GLU 41 -3.615 1.451 -12.429 297 HA GLU 41 HA GLU 41 -4.569 -0.086 -14.612 298 HB2 GLU 41 1HB GLU 41 -5.383 2.023 -15.508 299 HB3 GLU 41 2HB GLU 41 -5.723 1.925 -13.786 300 HG2 GLU 41 1HG GLU 41 -3.500 3.234 -13.532 301 HG3 GLU 41 2HG GLU 41 -3.753 3.640 -15.228 302 H LYS 42 H LYS 42 -1.604 1.498 -14.001 303 HA LYS 42 HA LYS 42 -0.892 1.528 -16.847 304 HB2 LYS 42 1HB LYS 42 0.447 2.739 -14.425 305 HB3 LYS 42 2HB LYS 42 1.153 2.755 -16.035 306 HG2 LYS 42 1HG LYS 42 -1.574 3.881 -15.521 307 HG3 LYS 42 2HG LYS 42 -0.113 4.832 -15.245 308 HD2 LYS 42 1HD LYS 42 0.559 4.392 -17.591 309 HD3 LYS 42 2HD LYS 42 -0.977 3.559 -17.842 310 HE2 LYS 42 1HE LYS 42 -1.314 5.738 -18.658 311 HE3 LYS 42 2HE LYS 42 -2.091 5.711 -17.075 312 HZ1 LYS 42 3HZ LYS 42 -0.907 7.572 -16.761 313 HZ2 LYS 42 1HZ LYS 42 0.212 7.212 -17.977 314 HZ3 LYS 42 2HZ LYS 42 0.377 6.520 -16.443 315 H ARG 43 H ARG 43 -1.130 -0.895 -15.107 316 HA ARG 43 HA ARG 43 -0.047 -2.865 -14.758 317 HB2 ARG 43 1HB ARG 43 1.560 -1.711 -17.026 318 HB3 ARG 43 2HB ARG 43 1.931 -3.287 -16.341 319 HG2 ARG 43 1HG ARG 43 0.571 -3.913 -18.052 320 HG3 ARG 43 2HG ARG 43 -0.632 -3.702 -16.779 321 HD2 ARG 43 1HD ARG 43 -1.451 -2.627 -18.749 322 HD3 ARG 43 2HD ARG 43 -0.981 -1.372 -17.603 323 HE ARG 43 HE ARG 43 0.647 -0.687 -19.064 324 HH11 ARG 43 1HH1 ARG 43 -0.529 -3.820 -20.029 325 HH12 ARG 43 2HH1 ARG 43 0.322 -3.817 -21.539 326 HH21 ARG 43 1HH2 ARG 43 1.771 -0.673 -21.048 327 HH22 ARG 43 2HH2 ARG 43 1.631 -2.028 -22.117 328 H ASN 44 H ASN 44 0.797 -0.371 -13.312 329 HA ASN 44 HA ASN 44 3.558 -1.091 -12.624 330 HB2 ASN 44 1HB ASN 44 1.937 1.414 -12.183 331 HB3 ASN 44 2HB ASN 44 3.471 1.133 -11.364 332 HD21 ASN 44 2HD2 ASN 44 3.723 3.243 -12.655 333 HD22 ASN 44 1HD2 ASN 44 4.449 3.075 -14.213 334 H LEU 45 H LEU 45 4.001 -2.088 -10.769 335 HA LEU 45 HA LEU 45 1.837 -2.635 -8.912 336 HB2 LEU 45 1HB LEU 45 4.684 -3.576 -8.700 337 HB3 LEU 45 2HB LEU 45 3.247 -4.286 -7.966 338 HG LEU 45 HG LEU 45 3.630 -4.219 -10.946 339 HD11 LEU 45 1HD1 LEU 45 4.496 -6.516 -10.767 340 HD12 LEU 45 2HD1 LEU 45 4.570 -6.334 -9.015 341 HD13 LEU 45 3HD1 LEU 45 5.583 -5.326 -10.049 342 HD21 LEU 45 3HD2 LEU 45 1.638 -5.208 -9.103 343 HD22 LEU 45 1HD2 LEU 45 2.271 -6.500 -10.122 344 HD23 LEU 45 2HD2 LEU 45 1.573 -5.058 -10.860 345 H GLN 46 H GLN 46 1.449 -1.336 -7.256 346 HA GLN 46 HA GLN 46 3.717 -0.141 -5.829 347 HB2 GLN 46 1HB GLN 46 1.182 1.378 -6.439 348 HB3 GLN 46 2HB GLN 46 2.641 1.997 -5.678 349 HG2 GLN 46 1HG GLN 46 2.419 1.046 -8.524 350 HG3 GLN 46 2HG GLN 46 2.436 2.727 -7.996 351 HE21 GLN 46 2HE2 GLN 46 4.254 2.140 -9.783 352 HE22 GLN 46 1HE2 GLN 46 5.829 1.984 -9.089 353 H CYS 47 H CYS 47 3.132 0.617 -3.641 354 HA CYS 47 HA CYS 47 1.282 -1.275 -2.412 355 HB2 CYS 47 1HB CYS 47 3.664 -0.918 -1.590 356 HB3 CYS 47 2HB CYS 47 3.125 0.648 -0.994 357 H ILE 48 H ILE 48 -0.760 -0.630 -2.238 358 HA ILE 48 HA ILE 48 -1.352 2.206 -1.826 359 HB ILE 48 HB ILE 48 -3.256 -0.065 -2.413 360 HG12 ILE 48 1HG1 ILE 48 -3.283 1.489 -4.631 361 HG13 ILE 48 2HG1 ILE 48 -1.605 1.686 -4.137 362 HG21 ILE 48 1HG2 ILE 48 -3.661 2.923 -2.421 363 HG22 ILE 48 2HG2 ILE 48 -4.847 1.731 -2.948 364 HG23 ILE 48 3HG2 ILE 48 -4.333 1.778 -1.261 365 HD11 ILE 48 3HD1 ILE 48 -2.310 -1.075 -3.994 366 HD12 ILE 48 1HD1 ILE 48 -2.756 -0.433 -5.574 367 HD13 ILE 48 2HD1 ILE 48 -1.095 -0.282 -4.997 368 H CYS 49 H CYS 49 -2.570 2.965 -0.104 369 HA CYS 49 HA CYS 49 -2.900 1.079 2.137 370 HB2 CYS 49 1HB CYS 49 -2.419 4.040 2.440 371 HB3 CYS 49 2HB CYS 49 -2.299 2.788 3.673 372 H ASP 50 H ASP 50 -4.865 0.913 3.022 373 HA ASP 50 HA ASP 50 -6.916 2.850 2.170 374 HB2 ASP 50 1HB ASP 50 -7.589 0.098 3.151 375 HB3 ASP 50 2HB ASP 50 -8.500 1.147 2.068 376 H TYR 51 H TYR 51 -7.555 4.175 3.723 377 HA TYR 51 HA TYR 51 -7.361 3.281 6.518 378 HB2 TYR 51 1HB TYR 51 -6.048 5.285 5.962 379 HB3 TYR 51 2HB TYR 51 -7.511 6.091 5.406 380 HD1 TYR 51 HD2 TYR 51 -7.027 3.989 8.439 381 HD2 TYR 51 HD1 TYR 51 -7.755 7.883 6.886 382 HE1 TYR 51 HE2 TYR 51 -7.429 4.816 10.719 383 HE2 TYR 51 HE1 TYR 51 -8.159 8.721 9.162 384 HH TYR 51 HH TYR 51 -8.771 7.913 11.341 385 H CYS 52 H CYS 52 -9.176 2.823 7.556 386 HA CYS 52 HA CYS 52 -11.719 3.783 6.446 387 HB2 CYS 52 1HB CYS 52 -10.890 1.349 7.942 388 HB3 CYS 52 2HB CYS 52 -12.518 1.955 8.231 389 H GLU 53 H GLU 53 -12.914 5.227 7.507 390 HA GLU 53 HA GLU 53 -12.076 5.983 10.217 391 HB2 GLU 53 1HB GLU 53 -12.146 7.682 8.307 392 HB3 GLU 53 2HB GLU 53 -13.897 7.564 8.412 393 HG2 GLU 53 1HG GLU 53 -13.945 8.489 10.562 394 HG3 GLU 53 2HG GLU 53 -12.217 8.238 10.799 395 H TYR 54 H TYR 54 -13.196 4.817 11.663 396 HA TYR 54 HA TYR 54 -15.858 3.910 11.257 397 HB2 TYR 54 1HB TYR 54 -14.265 4.111 13.821 398 HB3 TYR 54 2HB TYR 54 -15.750 3.189 13.606 399 HD1 TYR 54 HD2 TYR 54 -15.704 1.345 11.778 400 HD2 TYR 54 HD1 TYR 54 -12.209 3.082 13.472 401 HE1 TYR 54 HE2 TYR 54 -14.393 -0.610 11.065 402 HE2 TYR 54 HE1 TYR 54 -10.888 1.134 12.762 403 HH TYR 54 HH TYR 54 -11.799 -0.984 10.513 Start of MODEL 14 1 H1 ASP 2 H ASP 2 -17.731 6.338 4.033 2 HA ASP 2 HA ASP 2 -16.797 4.369 2.079 3 HB2 ASP 2 1HB ASP 2 -17.717 6.675 1.107 4 HB3 ASP 2 2HB ASP 2 -16.098 7.214 1.543 5 H CYS 3 H CYS 3 -14.398 4.627 1.680 6 HA CYS 3 HA CYS 3 -13.060 5.505 4.155 7 HB2 CYS 3 1HB CYS 3 -12.075 3.255 2.409 8 HB3 CYS 3 2HB CYS 3 -11.606 3.641 4.062 9 H LYS 4 H LYS 4 -10.597 5.722 3.750 10 HA LYS 4 HA LYS 4 -10.229 7.222 1.240 11 HB2 LYS 4 1HB LYS 4 -10.063 8.829 2.919 12 HB3 LYS 4 2HB LYS 4 -9.269 7.725 4.035 13 HG2 LYS 4 1HG LYS 4 -7.215 8.166 3.224 14 HG3 LYS 4 2HG LYS 4 -7.788 8.333 1.562 15 HD2 LYS 4 1HD LYS 4 -8.434 10.393 3.646 16 HD3 LYS 4 2HD LYS 4 -6.901 10.428 2.771 17 HE2 LYS 4 1HE LYS 4 -9.493 10.226 1.287 18 HE3 LYS 4 2HE LYS 4 -8.922 11.787 1.871 19 HZ1 LYS 4 3HZ LYS 4 -7.559 11.912 0.149 20 HZ2 LYS 4 1HZ LYS 4 -8.152 10.441 -0.441 21 HZ3 LYS 4 2HZ LYS 4 -6.806 10.461 0.582 22 H ARG 5 H ARG 5 -8.726 6.507 -0.123 23 HA ARG 5 HA ARG 5 -6.539 4.843 0.923 24 HB2 ARG 5 1HB ARG 5 -6.740 3.417 -1.116 25 HB3 ARG 5 2HB ARG 5 -8.110 3.289 -0.019 26 HG2 ARG 5 1HG ARG 5 -9.250 3.471 -1.963 27 HG3 ARG 5 2HG ARG 5 -9.059 5.190 -1.617 28 HD2 ARG 5 1HD ARG 5 -8.492 4.722 -3.931 29 HD3 ARG 5 2HD ARG 5 -7.063 5.246 -3.040 30 HE ARG 5 HE ARG 5 -6.111 3.232 -3.512 31 HH11 ARG 5 1HH1 ARG 5 -9.565 2.916 -3.804 32 HH12 ARG 5 2HH1 ARG 5 -9.498 1.285 -4.386 33 HH21 ARG 5 1HH2 ARG 5 -6.008 1.086 -4.276 34 HH22 ARG 5 2HH2 ARG 5 -7.474 0.244 -4.653 35 H LYS 6 H LYS 6 -4.635 4.797 -0.415 36 HA LYS 6 HA LYS 6 -4.404 6.544 -2.675 37 HB2 LYS 6 1HB LYS 6 -4.341 8.251 -0.971 38 HB3 LYS 6 2HB LYS 6 -3.150 7.346 -0.046 39 HG2 LYS 6 1HG LYS 6 -1.435 7.839 -1.532 40 HG3 LYS 6 2HG LYS 6 -2.552 8.258 -2.832 41 HD2 LYS 6 1HD LYS 6 -2.550 9.859 -0.309 42 HD3 LYS 6 2HD LYS 6 -1.299 10.139 -1.522 43 HE2 LYS 6 1HE LYS 6 -4.164 10.051 -2.354 44 HE3 LYS 6 2HE LYS 6 -3.533 11.502 -1.575 45 HZ1 LYS 6 3HZ LYS 6 -2.525 10.246 -4.070 46 HZ2 LYS 6 1HZ LYS 6 -1.781 11.551 -3.290 47 HZ3 LYS 6 2HZ LYS 6 -3.335 11.725 -3.936 48 H VAL 7 H VAL 7 -2.592 6.117 -3.877 49 HA VAL 7 HA VAL 7 -1.039 3.800 -3.042 50 HB VAL 7 HB VAL 7 -1.939 3.737 -5.287 51 HG11 VAL 7 1HG1 VAL 7 -2.153 6.073 -5.777 52 HG12 VAL 7 2HG1 VAL 7 -0.403 6.298 -5.706 53 HG13 VAL 7 3HG1 VAL 7 -1.120 5.344 -7.006 54 HG21 VAL 7 3HG2 VAL 7 0.306 2.744 -4.804 55 HG22 VAL 7 1HG2 VAL 7 0.040 3.163 -6.497 56 HG23 VAL 7 2HG2 VAL 7 1.033 4.204 -5.476 57 H TYR 8 H TYR 8 1.127 3.785 -2.664 58 HA TYR 8 HA TYR 8 2.469 6.407 -2.635 59 HB2 TYR 8 1HB TYR 8 2.005 4.916 -0.467 60 HB3 TYR 8 2HB TYR 8 3.508 4.160 -0.982 61 HD1 TYR 8 HD1 TYR 8 2.286 7.697 -0.881 62 HD2 TYR 8 HD2 TYR 8 5.286 4.909 0.274 63 HE1 TYR 8 HE1 TYR 8 3.557 9.514 0.182 64 HE2 TYR 8 HE2 TYR 8 6.565 6.718 1.341 65 HH TYR 8 HH TYR 8 5.699 10.061 0.946 66 H GLU 9 H GLU 9 3.202 6.180 -4.792 67 HA GLU 9 HA GLU 9 4.620 3.978 -5.790 68 HB2 GLU 9 1HB GLU 9 5.399 5.478 -7.543 69 HB3 GLU 9 2HB GLU 9 3.694 5.756 -7.215 70 HG2 GLU 9 1HG GLU 9 4.643 7.604 -5.606 71 HG3 GLU 9 2HG GLU 9 6.039 7.498 -6.678 72 H ASN 10 H ASN 10 5.534 6.413 -3.564 73 HA ASN 10 HA ASN 10 8.289 6.581 -3.975 74 HB2 ASN 10 1HB ASN 10 6.675 7.842 -2.313 75 HB3 ASN 10 2HB ASN 10 7.191 6.586 -1.192 76 HD21 ASN 10 2HD2 ASN 10 8.254 9.246 -3.197 77 HD22 ASN 10 1HD2 ASN 10 9.748 9.520 -2.374 78 H TYR 11 H TYR 11 6.349 4.098 -2.487 79 HA TYR 11 HA TYR 11 8.525 2.756 -1.198 80 HB2 TYR 11 1HB TYR 11 5.747 2.594 -1.098 81 HB3 TYR 11 2HB TYR 11 6.241 1.060 -1.807 82 HD1 TYR 11 HD2 TYR 11 7.650 3.247 0.884 83 HD2 TYR 11 HD1 TYR 11 6.259 -0.617 -0.230 84 HE1 TYR 11 HE2 TYR 11 8.223 2.403 3.121 85 HE2 TYR 11 HE1 TYR 11 6.827 -1.471 2.005 86 HH TYR 11 HH TYR 11 7.217 -0.700 4.227 87 HA PRO 12 HA PRO 12 10.187 0.578 -4.645 88 HB2 PRO 12 1HB PRO 12 11.376 -1.467 -3.314 89 HB3 PRO 12 2HB PRO 12 12.016 0.181 -3.314 90 HG2 PRO 12 1HG PRO 12 10.368 -1.210 -1.238 91 HG3 PRO 12 2HG PRO 12 11.784 -0.164 -1.026 92 HD2 PRO 12 1HD PRO 12 9.251 0.719 -0.657 93 HD3 PRO 12 2HD PRO 12 10.548 1.768 -1.265 94 H VAL 13 H VAL 13 9.590 -1.033 -6.011 95 HA VAL 13 HA VAL 13 7.191 -2.458 -5.507 96 HB VAL 13 HB VAL 13 9.183 -3.008 -7.706 97 HG11 VAL 13 1HG1 VAL 13 6.841 -3.484 -8.837 98 HG12 VAL 13 2HG1 VAL 13 7.680 -4.717 -7.894 99 HG13 VAL 13 3HG1 VAL 13 6.367 -3.789 -7.167 100 HG21 VAL 13 3HG2 VAL 13 8.811 -0.862 -8.272 101 HG22 VAL 13 1HG2 VAL 13 7.263 -1.474 -8.855 102 HG23 VAL 13 2HG2 VAL 13 7.375 -0.736 -7.257 103 H SER 14 H SER 14 10.437 -3.103 -4.749 104 HA SER 14 HA SER 14 10.396 -5.942 -4.886 105 HB2 SER 14 1HB SER 14 12.177 -3.903 -3.611 106 HB3 SER 14 2HB SER 14 12.342 -5.595 -3.141 107 HG SER 14 HG SER 14 13.231 -6.011 -5.000 108 H LYS 15 H LYS 15 9.501 -3.598 -2.445 109 HA LYS 15 HA LYS 15 9.232 -5.499 -0.322 110 HB2 LYS 15 1HB LYS 15 8.705 -2.615 -0.713 111 HB3 LYS 15 2HB LYS 15 7.707 -3.415 0.494 112 HG2 LYS 15 1HG LYS 15 9.718 -2.390 1.456 113 HG3 LYS 15 2HG LYS 15 9.669 -4.137 1.699 114 HD2 LYS 15 1HD LYS 15 11.351 -4.525 0.142 115 HD3 LYS 15 2HD LYS 15 11.104 -2.971 -0.657 116 HE2 LYS 15 1HE LYS 15 12.193 -3.307 2.136 117 HE3 LYS 15 2HE LYS 15 13.189 -3.095 0.696 118 HZ1 LYS 15 3HZ LYS 15 11.126 -1.104 1.010 119 HZ2 LYS 15 1HZ LYS 15 12.765 -0.916 0.634 120 HZ3 LYS 15 2HZ LYS 15 12.281 -1.091 2.246 121 H CYS 16 H CYS 16 7.281 -4.530 -2.968 122 HA CYS 16 HA CYS 16 4.699 -4.871 -2.063 123 HB2 CYS 16 1HB CYS 16 5.144 -4.111 -4.314 124 HB3 CYS 16 2HB CYS 16 5.899 -5.647 -4.727 125 H GLN 17 H GLN 17 7.097 -7.309 -2.860 126 HA GLN 17 HA GLN 17 5.463 -9.566 -2.941 127 HB2 GLN 17 1HB GLN 17 8.276 -9.457 -1.847 128 HB3 GLN 17 2HB GLN 17 7.457 -10.859 -2.524 129 HG2 GLN 17 1HG GLN 17 7.315 -9.551 -4.689 130 HG3 GLN 17 2HG GLN 17 8.444 -8.414 -3.955 131 HE21 GLN 17 2HE2 GLN 17 10.432 -8.737 -4.617 132 HE22 GLN 17 1HE2 GLN 17 11.168 -10.265 -4.941 133 H LEU 18 H LEU 18 6.752 -7.772 -0.225 134 HA LEU 18 HA LEU 18 6.009 -9.742 1.731 135 HB2 LEU 18 1HB LEU 18 7.097 -6.966 1.803 136 HB3 LEU 18 2HB LEU 18 6.391 -7.651 3.266 137 HG LEU 18 HG LEU 18 8.931 -7.804 2.954 138 HD11 LEU 18 1HD1 LEU 18 9.021 -9.903 4.111 139 HD12 LEU 18 2HD1 LEU 18 7.429 -10.358 3.505 140 HD13 LEU 18 3HD1 LEU 18 7.589 -9.024 4.648 141 HD21 LEU 18 3HD2 LEU 18 8.837 -8.574 0.610 142 HD22 LEU 18 1HD2 LEU 18 8.102 -10.081 1.158 143 HD23 LEU 18 2HD2 LEU 18 9.744 -9.669 1.653 144 H ALA 19 H ALA 19 4.156 -9.915 2.845 145 HA ALA 19 HA ALA 19 1.957 -8.150 2.099 146 HB1 ALA 19 3HB ALA 19 0.687 -9.907 3.566 147 HB2 ALA 19 1HB ALA 19 1.215 -10.317 1.934 148 HB3 ALA 19 2HB ALA 19 2.152 -10.861 3.327 149 H ASN 20 H ASN 20 3.961 -8.943 4.838 150 HA ASN 20 HA ASN 20 2.283 -7.453 6.686 151 HB2 ASN 20 1HB ASN 20 3.909 -8.128 8.390 152 HB3 ASN 20 2HB ASN 20 3.373 -9.521 7.454 153 HD21 ASN 20 2HD2 ASN 20 5.956 -8.339 8.895 154 HD22 ASN 20 1HD2 ASN 20 7.212 -8.906 7.853 155 H GLN 21 H GLN 21 4.918 -6.894 4.599 156 HA GLN 21 HA GLN 21 6.081 -4.714 6.059 157 HB2 GLN 21 1HB GLN 21 7.390 -6.070 4.466 158 HB3 GLN 21 2HB GLN 21 6.386 -5.477 3.149 159 HG2 GLN 21 1HG GLN 21 8.094 -4.028 2.921 160 HG3 GLN 21 2HG GLN 21 7.182 -3.137 4.138 161 HE21 GLN 21 2HE2 GLN 21 9.546 -2.319 4.221 162 HE22 GLN 21 1HE2 GLN 21 10.534 -3.060 5.429 163 H CYS 22 H CYS 22 3.894 -5.025 3.289 164 HA CYS 22 HA CYS 22 3.666 -2.293 2.693 165 HB2 CYS 22 1HB CYS 22 2.410 -4.748 1.874 166 HB3 CYS 22 2HB CYS 22 1.181 -3.511 2.120 167 H ASN 23 H ASN 23 1.273 -4.327 4.392 168 HA ASN 23 HA ASN 23 -0.368 -2.283 5.284 169 HB2 ASN 23 1HB ASN 23 -1.421 -3.867 6.599 170 HB3 ASN 23 2HB ASN 23 -0.590 -4.899 5.439 171 HD21 ASN 23 2HD2 ASN 23 -1.245 -4.484 8.615 172 HD22 ASN 23 1HD2 ASN 23 0.072 -5.364 9.306 173 H TYR 24 H TYR 24 2.694 -3.376 6.531 174 HA TYR 24 HA TYR 24 2.524 -2.169 9.087 175 HB2 TYR 24 1HB TYR 24 4.166 -3.861 8.791 176 HB3 TYR 24 2HB TYR 24 4.856 -3.049 7.390 177 HD1 TYR 24 HD1 TYR 24 4.070 -2.028 10.904 178 HD2 TYR 24 HD2 TYR 24 6.972 -2.247 7.801 179 HE1 TYR 24 HE1 TYR 24 5.706 -0.913 12.364 180 HE2 TYR 24 HE2 TYR 24 8.616 -1.136 9.252 181 HH TYR 24 HH TYR 24 8.866 0.063 11.171 182 H ASP 25 H ASP 25 4.057 -1.114 6.055 183 HA ASP 25 HA ASP 25 4.907 1.397 7.053 184 HB2 ASP 25 1HB ASP 25 6.052 0.674 5.143 185 HB3 ASP 25 2HB ASP 25 4.566 0.248 4.298 186 H CYS 26 H CYS 26 1.975 0.294 5.459 187 HA CYS 26 HA CYS 26 0.885 2.892 5.028 188 HB2 CYS 26 1HB CYS 26 -0.316 0.125 5.040 189 HB3 CYS 26 2HB CYS 26 -1.283 1.568 4.752 190 H LYS 27 H LYS 27 0.138 0.338 7.398 191 HA LYS 27 HA LYS 27 -1.667 1.919 8.900 192 HB2 LYS 27 1HB LYS 27 -0.120 -0.578 9.598 193 HB3 LYS 27 2HB LYS 27 -1.311 0.152 10.667 194 HG2 LYS 27 1HG LYS 27 -2.722 -0.060 8.351 195 HG3 LYS 27 2HG LYS 27 -1.681 -1.483 8.268 196 HD2 LYS 27 1HD LYS 27 -3.494 -0.738 10.564 197 HD3 LYS 27 2HD LYS 27 -3.792 -2.006 9.373 198 HE2 LYS 27 1HE LYS 27 -1.366 -2.760 10.232 199 HE3 LYS 27 2HE LYS 27 -1.954 -1.961 11.690 200 HZ1 LYS 27 3HZ LYS 27 -2.582 -4.515 10.753 201 HZ2 LYS 27 1HZ LYS 27 -3.997 -3.590 10.676 202 HZ3 LYS 27 2HZ LYS 27 -3.163 -3.741 12.141 203 H LEU 28 H LEU 28 1.674 2.053 8.615 204 HA LEU 28 HA LEU 28 2.275 2.871 11.306 205 HB2 LEU 28 1HB LEU 28 4.043 1.838 10.155 206 HB3 LEU 28 2HB LEU 28 3.813 2.848 8.729 207 HG LEU 28 HG LEU 28 4.529 4.356 11.131 208 HD11 LEU 28 1HD1 LEU 28 5.785 2.253 11.519 209 HD12 LEU 28 2HD1 LEU 28 6.821 3.653 11.244 210 HD13 LEU 28 3HD1 LEU 28 6.570 2.477 9.955 211 HD21 LEU 28 3HD2 LEU 28 5.358 5.742 9.592 212 HD22 LEU 28 1HD2 LEU 28 4.589 4.697 8.396 213 HD23 LEU 28 2HD2 LEU 28 6.285 4.457 8.815 214 H ASP 29 H ASP 29 2.481 4.593 8.186 215 HA ASP 29 HA ASP 29 2.207 7.130 9.608 216 HB2 ASP 29 1HB ASP 29 3.994 6.743 7.848 217 HB3 ASP 29 2HB ASP 29 2.698 6.733 6.656 218 H LYS 30 H LYS 30 0.748 5.463 6.819 219 HA LYS 30 HA LYS 30 -1.392 7.326 6.564 220 HB2 LYS 30 1HB LYS 30 -1.388 4.492 5.537 221 HB3 LYS 30 2HB LYS 30 -2.254 5.877 4.885 222 HG2 LYS 30 1HG LYS 30 0.463 6.572 4.849 223 HG3 LYS 30 2HG LYS 30 0.367 4.912 4.256 224 HD2 LYS 30 1HD LYS 30 0.063 6.122 2.314 225 HD3 LYS 30 2HD LYS 30 -1.603 5.837 2.819 226 HE2 LYS 30 1HE LYS 30 -0.316 8.276 3.875 227 HE3 LYS 30 2HE LYS 30 -0.640 8.257 2.143 228 HZ1 LYS 30 3HZ LYS 30 -2.451 8.628 4.286 229 HZ2 LYS 30 1HZ LYS 30 -2.923 7.291 3.363 230 HZ3 LYS 30 2HZ LYS 30 -2.719 8.800 2.625 231 H HIS 31 H HIS 31 -0.776 4.910 8.799 232 HA HIS 31 HA HIS 31 -2.027 3.792 10.346 233 HB2 HIS 31 1HB HIS 31 -3.588 6.347 9.991 234 HB3 HIS 31 2HB HIS 31 -4.019 5.143 11.202 235 HD1 HIS 31 HD1 HIS 31 -1.332 4.419 12.370 236 HD2 HIS 31 HD2 HIS 31 -2.409 8.318 11.420 237 HE1 HIS 31 HE1 HIS 31 0.139 5.887 13.786 238 H ALA 32 H ALA 32 -2.581 3.230 7.516 239 HA ALA 32 HA ALA 32 -5.322 2.930 7.013 240 HB1 ALA 32 3HB ALA 32 -4.618 2.118 5.063 241 HB2 ALA 32 1HB ALA 32 -2.978 2.401 5.645 242 HB3 ALA 32 2HB ALA 32 -3.723 0.814 5.843 243 H ARG 33 H ARG 33 -5.722 0.265 6.382 244 HA ARG 33 HA ARG 33 -5.526 -1.125 8.965 245 HB2 ARG 33 1HB ARG 33 -7.816 -0.004 8.382 246 HB3 ARG 33 2HB ARG 33 -7.997 -1.370 7.288 247 HG2 ARG 33 1HG ARG 33 -9.002 -2.247 9.117 248 HG3 ARG 33 2HG ARG 33 -7.340 -2.720 9.474 249 HD2 ARG 33 1HD ARG 33 -8.283 -0.060 10.413 250 HD3 ARG 33 2HD ARG 33 -8.858 -1.494 11.262 251 HE ARG 33 HE ARG 33 -6.259 -0.351 11.417 252 HH11 ARG 33 1HH1 ARG 33 -7.975 -3.379 11.486 253 HH12 ARG 33 2HH1 ARG 33 -6.778 -4.186 12.443 254 HH21 ARG 33 1HH2 ARG 33 -4.675 -1.401 12.677 255 HH22 ARG 33 2HH2 ARG 33 -4.901 -3.059 13.122 256 H SER 34 H SER 34 -6.041 -1.361 5.483 257 HA SER 34 HA SER 34 -4.976 -4.106 5.591 258 HB2 SER 34 1HB SER 34 -7.504 -3.726 4.960 259 HB3 SER 34 2HB SER 34 -6.833 -3.271 3.393 260 HG SER 34 HG SER 34 -6.962 -5.747 4.621 261 H GLY 35 H GLY 35 -3.394 -1.796 5.303 262 HA2 GLY 35 1HA GLY 35 -2.818 -0.925 2.752 263 HA3 GLY 35 2HA GLY 35 -1.615 -1.101 4.022 264 H GLU 36 H GLU 36 -2.345 -1.974 0.948 265 HA GLU 36 HA GLU 36 -0.353 -4.075 0.968 266 HB2 GLU 36 1HB GLU 36 -2.758 -5.047 1.338 267 HB3 GLU 36 2HB GLU 36 -2.937 -4.749 -0.384 268 HG2 GLU 36 1HG GLU 36 -1.223 -6.258 -0.933 269 HG3 GLU 36 2HG GLU 36 -0.647 -6.332 0.732 270 H CYS 37 H CYS 37 0.105 -4.830 -1.314 271 HA CYS 37 HA CYS 37 -0.046 -2.505 -3.103 272 HB2 CYS 37 1HB CYS 37 1.936 -3.321 -4.169 273 HB3 CYS 37 2HB CYS 37 2.208 -3.404 -2.431 274 H PHE 38 H PHE 38 -0.488 -2.796 -5.336 275 HA PHE 38 HA PHE 38 -1.365 -5.332 -6.348 276 HB2 PHE 38 1HB PHE 38 -3.276 -3.974 -4.919 277 HB3 PHE 38 2HB PHE 38 -3.589 -3.429 -6.563 278 HD1 PHE 38 HD2 PHE 38 -2.621 -6.688 -5.018 279 HD2 PHE 38 HD1 PHE 38 -5.323 -4.565 -7.531 280 HE1 PHE 38 HE2 PHE 38 -3.837 -8.779 -5.474 281 HE2 PHE 38 HE1 PHE 38 -6.542 -6.652 -7.990 282 HZ PHE 38 HZ PHE 38 -5.800 -8.763 -6.961 283 H TYR 39 H TYR 39 -1.943 -5.245 -8.606 284 HA TYR 39 HA TYR 39 -0.325 -3.498 -10.095 285 HB2 TYR 39 1HB TYR 39 -1.328 -4.499 -12.060 286 HB3 TYR 39 2HB TYR 39 -1.042 -5.751 -10.858 287 HD1 TYR 39 HD1 TYR 39 -2.925 -6.773 -9.655 288 HD2 TYR 39 HD2 TYR 39 -3.560 -3.902 -12.731 289 HE1 TYR 39 HE1 TYR 39 -5.284 -7.456 -9.799 290 HE2 TYR 39 HE2 TYR 39 -5.920 -4.577 -12.881 291 HH TYR 39 HH TYR 39 -7.119 -7.332 -11.773 292 H ASP 40 H ASP 40 -0.708 -1.625 -11.155 293 HA ASP 40 HA ASP 40 -3.227 -0.269 -10.553 294 HB2 ASP 40 1HB ASP 40 -0.628 0.600 -10.430 295 HB3 ASP 40 2HB ASP 40 -1.158 1.251 -11.979 296 H GLU 41 H GLU 41 -3.659 1.477 -12.456 297 HA GLU 41 HA GLU 41 -4.692 -0.058 -14.601 298 HB2 GLU 41 1HB GLU 41 -5.447 2.057 -15.523 299 HB3 GLU 41 2HB GLU 41 -5.745 2.022 -13.791 300 HG2 GLU 41 1HG GLU 41 -3.551 3.284 -13.548 301 HG3 GLU 41 2HG GLU 41 -3.645 3.548 -15.288 302 H LYS 42 H LYS 42 -1.667 1.449 -14.060 303 HA LYS 42 HA LYS 42 -0.986 1.372 -16.912 304 HB2 LYS 42 1HB LYS 42 0.558 2.531 -14.583 305 HB3 LYS 42 2HB LYS 42 1.020 2.641 -16.277 306 HG2 LYS 42 1HG LYS 42 -1.655 3.662 -15.500 307 HG3 LYS 42 2HG LYS 42 -0.235 4.604 -15.040 308 HD2 LYS 42 1HD LYS 42 -0.633 5.506 -17.099 309 HD3 LYS 42 2HD LYS 42 0.417 4.167 -17.571 310 HE2 LYS 42 1HE LYS 42 -1.303 2.960 -18.480 311 HE3 LYS 42 2HE LYS 42 -2.512 3.674 -17.414 312 HZ1 LYS 42 3HZ LYS 42 -3.037 4.731 -19.332 313 HZ2 LYS 42 1HZ LYS 42 -1.468 4.650 -19.961 314 HZ3 LYS 42 2HZ LYS 42 -1.851 5.811 -18.791 315 H ARG 43 H ARG 43 -1.281 -0.996 -15.120 316 HA ARG 43 HA ARG 43 -0.256 -2.987 -14.722 317 HB2 ARG 43 1HB ARG 43 1.269 -1.928 -17.077 318 HB3 ARG 43 2HB ARG 43 1.764 -3.432 -16.314 319 HG2 ARG 43 1HG ARG 43 0.378 -4.249 -17.920 320 HG3 ARG 43 2HG ARG 43 -0.786 -4.025 -16.612 321 HD2 ARG 43 1HD ARG 43 -1.752 -3.129 -18.598 322 HD3 ARG 43 2HD ARG 43 -1.298 -1.772 -17.568 323 HE ARG 43 HE ARG 43 0.746 -2.447 -19.448 324 HH11 ARG 43 1HH1 ARG 43 -2.256 -0.732 -19.039 325 HH12 ARG 43 2HH1 ARG 43 -1.943 0.385 -20.327 326 HH21 ARG 43 1HH2 ARG 43 1.168 -0.984 -21.145 327 HH22 ARG 43 2HH2 ARG 43 0.004 0.240 -21.525 328 H ASN 44 H ASN 44 0.671 -0.493 -13.340 329 HA ASN 44 HA ASN 44 3.425 -1.258 -12.673 330 HB2 ASN 44 1HB ASN 44 1.894 1.261 -11.985 331 HB3 ASN 44 2HB ASN 44 3.584 0.950 -11.599 332 HD21 ASN 44 2HD2 ASN 44 2.594 3.126 -13.116 333 HD22 ASN 44 1HD2 ASN 44 3.249 2.996 -14.709 334 H LEU 45 H LEU 45 3.891 -2.212 -10.797 335 HA LEU 45 HA LEU 45 1.736 -2.707 -8.908 336 HB2 LEU 45 1HB LEU 45 4.560 -3.713 -8.715 337 HB3 LEU 45 2HB LEU 45 3.108 -4.389 -7.979 338 HG LEU 45 HG LEU 45 3.556 -4.349 -10.955 339 HD11 LEU 45 1HD1 LEU 45 4.125 -6.798 -10.596 340 HD12 LEU 45 2HD1 LEU 45 4.405 -6.375 -8.908 341 HD13 LEU 45 3HD1 LEU 45 5.370 -5.621 -10.177 342 HD21 LEU 45 3HD2 LEU 45 1.899 -6.329 -9.471 343 HD22 LEU 45 1HD2 LEU 45 1.716 -5.704 -11.110 344 HD23 LEU 45 2HD2 LEU 45 1.258 -4.706 -9.730 345 H GLN 46 H GLN 46 1.408 -1.373 -7.266 346 HA GLN 46 HA GLN 46 3.729 -0.219 -5.891 347 HB2 GLN 46 1HB GLN 46 1.218 1.365 -6.413 348 HB3 GLN 46 2HB GLN 46 2.749 1.947 -5.773 349 HG2 GLN 46 1HG GLN 46 2.356 0.891 -8.564 350 HG3 GLN 46 2HG GLN 46 2.333 2.597 -8.121 351 HE21 GLN 46 2HE2 GLN 46 4.086 1.908 -9.977 352 HE22 GLN 46 1HE2 GLN 46 5.696 1.876 -9.355 353 H CYS 47 H CYS 47 3.154 0.635 -3.710 354 HA CYS 47 HA CYS 47 1.323 -1.234 -2.414 355 HB2 CYS 47 1HB CYS 47 3.708 -0.884 -1.622 356 HB3 CYS 47 2HB CYS 47 3.203 0.712 -1.076 357 H ILE 48 H ILE 48 -0.715 -0.576 -2.237 358 HA ILE 48 HA ILE 48 -1.266 2.271 -1.785 359 HB ILE 48 HB ILE 48 -3.216 0.094 -2.543 360 HG12 ILE 48 1HG1 ILE 48 -3.021 1.756 -4.709 361 HG13 ILE 48 2HG1 ILE 48 -1.358 1.729 -4.135 362 HG21 ILE 48 1HG2 ILE 48 -3.489 3.098 -2.550 363 HG22 ILE 48 2HG2 ILE 48 -4.709 1.946 -3.093 364 HG23 ILE 48 3HG2 ILE 48 -4.234 1.992 -1.395 365 HD11 ILE 48 3HD1 ILE 48 -1.082 -0.180 -5.208 366 HD12 ILE 48 1HD1 ILE 48 -2.227 -0.931 -4.097 367 HD13 ILE 48 2HD1 ILE 48 -2.796 -0.245 -5.619 368 H CYS 49 H CYS 49 -2.505 2.980 -0.069 369 HA CYS 49 HA CYS 49 -2.888 1.019 2.094 370 HB2 CYS 49 1HB CYS 49 -2.676 4.004 2.456 371 HB3 CYS 49 2HB CYS 49 -2.497 2.744 3.675 372 H ASP 50 H ASP 50 -4.788 1.058 3.313 373 HA ASP 50 HA ASP 50 -6.972 2.718 2.255 374 HB2 ASP 50 1HB ASP 50 -7.150 0.433 1.327 375 HB3 ASP 50 2HB ASP 50 -7.184 -0.216 2.965 376 H TYR 51 H TYR 51 -7.887 3.887 3.797 377 HA TYR 51 HA TYR 51 -7.840 2.858 6.559 378 HB2 TYR 51 1HB TYR 51 -6.283 4.784 6.159 379 HB3 TYR 51 2HB TYR 51 -7.684 5.768 5.753 380 HD1 TYR 51 HD2 TYR 51 -7.336 3.241 8.462 381 HD2 TYR 51 HD1 TYR 51 -7.754 7.357 7.467 382 HE1 TYR 51 HE2 TYR 51 -7.639 3.780 10.843 383 HE2 TYR 51 HE1 TYR 51 -8.058 7.908 9.845 384 HH TYR 51 HH TYR 51 -7.190 6.426 12.201 385 H CYS 52 H CYS 52 -9.821 2.362 7.199 386 HA CYS 52 HA CYS 52 -12.100 3.842 6.087 387 HB2 CYS 52 1HB CYS 52 -11.876 1.129 7.388 388 HB3 CYS 52 2HB CYS 52 -13.427 1.909 7.092 389 H GLU 53 H GLU 53 -14.009 3.976 7.686 390 HA GLU 53 HA GLU 53 -13.036 4.698 10.366 391 HB2 GLU 53 1HB GLU 53 -14.624 6.351 8.440 392 HB3 GLU 53 2HB GLU 53 -14.870 6.563 10.168 393 HG2 GLU 53 1HG GLU 53 -12.350 6.879 10.323 394 HG3 GLU 53 2HG GLU 53 -12.381 7.036 8.567 395 H TYR 54 H TYR 54 -13.993 3.339 11.724 396 HA TYR 54 HA TYR 54 -16.586 2.201 11.134 397 HB2 TYR 54 1HB TYR 54 -14.534 1.775 13.283 398 HB3 TYR 54 2HB TYR 54 -16.159 1.124 13.463 399 HD1 TYR 54 HD2 TYR 54 -17.022 -0.250 11.367 400 HD2 TYR 54 HD1 TYR 54 -12.927 0.450 12.284 401 HE1 TYR 54 HE2 TYR 54 -16.392 -2.208 10.019 402 HE2 TYR 54 HE1 TYR 54 -12.284 -1.505 10.938 403 HH TYR 54 HH TYR 54 -13.937 -3.852 10.198 Start of MODEL 15 1 H1 ASP 2 H ASP 2 -17.023 2.931 1.419 2 HA ASP 2 HA ASP 2 -17.112 5.877 1.392 3 HB2 ASP 2 1HB ASP 2 -18.033 4.065 3.630 4 HB3 ASP 2 2HB ASP 2 -18.244 5.810 3.521 5 H CYS 3 H CYS 3 -14.698 4.447 1.112 6 HA CYS 3 HA CYS 3 -13.386 5.124 3.661 7 HB2 CYS 3 1HB CYS 3 -12.405 2.935 1.837 8 HB3 CYS 3 2HB CYS 3 -11.946 3.252 3.507 9 H LYS 4 H LYS 4 -10.918 5.335 3.280 10 HA LYS 4 HA LYS 4 -10.499 6.872 0.799 11 HB2 LYS 4 1HB LYS 4 -10.444 8.495 2.471 12 HB3 LYS 4 2HB LYS 4 -9.670 7.420 3.628 13 HG2 LYS 4 1HG LYS 4 -7.579 7.814 2.811 14 HG3 LYS 4 2HG LYS 4 -8.159 8.154 1.180 15 HD2 LYS 4 1HD LYS 4 -8.891 10.326 1.801 16 HD3 LYS 4 2HD LYS 4 -8.675 9.979 3.518 17 HE2 LYS 4 1HE LYS 4 -6.356 9.848 1.629 18 HE3 LYS 4 2HE LYS 4 -6.897 11.396 2.275 19 HZ1 LYS 4 3HZ LYS 4 -5.245 9.527 3.499 20 HZ2 LYS 4 1HZ LYS 4 -6.695 9.528 4.372 21 HZ3 LYS 4 2HZ LYS 4 -5.837 10.970 4.155 22 H ARG 5 H ARG 5 -9.035 6.030 -0.519 23 HA ARG 5 HA ARG 5 -6.859 4.417 0.642 24 HB2 ARG 5 1HB ARG 5 -6.907 3.091 -1.480 25 HB3 ARG 5 2HB ARG 5 -8.345 2.910 -0.485 26 HG2 ARG 5 1HG ARG 5 -9.247 3.131 -2.584 27 HG3 ARG 5 2HG ARG 5 -9.303 4.794 -1.996 28 HD2 ARG 5 1HD ARG 5 -7.577 5.475 -3.360 29 HD3 ARG 5 2HD ARG 5 -6.897 3.854 -3.484 30 HE ARG 5 HE ARG 5 -9.349 3.734 -4.728 31 HH11 ARG 5 1HH1 ARG 5 -6.400 5.541 -5.122 32 HH12 ARG 5 2HH1 ARG 5 -6.587 5.722 -6.835 33 HH21 ARG 5 1HH2 ARG 5 -9.607 3.967 -6.982 34 HH22 ARG 5 2HH2 ARG 5 -8.411 4.828 -7.892 35 H LYS 6 H LYS 6 -4.903 4.307 -0.724 36 HA LYS 6 HA LYS 6 -4.485 6.192 -2.814 37 HB2 LYS 6 1HB LYS 6 -4.512 7.813 -1.022 38 HB3 LYS 6 2HB LYS 6 -3.384 6.850 -0.077 39 HG2 LYS 6 1HG LYS 6 -1.578 7.441 -1.376 40 HG3 LYS 6 2HG LYS 6 -2.579 7.825 -2.779 41 HD2 LYS 6 1HD LYS 6 -2.630 9.429 -0.230 42 HD3 LYS 6 2HD LYS 6 -1.558 9.800 -1.583 43 HE2 LYS 6 1HE LYS 6 -3.772 9.722 -2.971 44 HE3 LYS 6 2HE LYS 6 -4.534 9.990 -1.404 45 HZ1 LYS 6 3HZ LYS 6 -3.630 12.067 -1.214 46 HZ2 LYS 6 1HZ LYS 6 -3.834 11.991 -2.891 47 HZ3 LYS 6 2HZ LYS 6 -2.309 11.723 -2.213 48 H VAL 7 H VAL 7 -2.506 5.909 -3.843 49 HA VAL 7 HA VAL 7 -0.936 3.616 -2.869 50 HB VAL 7 HB VAL 7 -2.017 3.227 -5.032 51 HG11 VAL 7 1HG1 VAL 7 -0.345 5.514 -6.066 52 HG12 VAL 7 2HG1 VAL 7 -1.468 4.515 -6.991 53 HG13 VAL 7 3HG1 VAL 7 -2.076 5.602 -5.743 54 HG21 VAL 7 3HG2 VAL 7 -0.038 2.523 -6.278 55 HG22 VAL 7 1HG2 VAL 7 0.974 3.556 -5.267 56 HG23 VAL 7 2HG2 VAL 7 0.142 2.171 -4.559 57 H TYR 8 H TYR 8 1.253 3.760 -2.668 58 HA TYR 8 HA TYR 8 2.384 6.453 -2.843 59 HB2 TYR 8 1HB TYR 8 2.540 4.508 -0.880 60 HB3 TYR 8 2HB TYR 8 4.099 4.392 -1.688 61 HD1 TYR 8 HD1 TYR 8 1.787 6.938 -0.236 62 HD2 TYR 8 HD2 TYR 8 5.811 5.806 -1.029 63 HE1 TYR 8 HE1 TYR 8 2.581 8.894 1.027 64 HE2 TYR 8 HE2 TYR 8 6.616 7.758 0.232 65 HH TYR 8 HH TYR 8 5.757 10.001 0.897 66 H GLU 9 H GLU 9 3.756 6.999 -4.400 67 HA GLU 9 HA GLU 9 4.642 4.992 -6.293 68 HB2 GLU 9 1HB GLU 9 5.433 6.884 -7.621 69 HB3 GLU 9 2HB GLU 9 3.770 7.132 -7.111 70 HG2 GLU 9 1HG GLU 9 4.912 8.418 -5.127 71 HG3 GLU 9 2HG GLU 9 6.244 8.549 -6.274 72 H ASN 10 H ASN 10 5.868 6.542 -3.529 73 HA ASN 10 HA ASN 10 8.657 6.189 -4.301 74 HB2 ASN 10 1HB ASN 10 7.299 7.422 -1.911 75 HB3 ASN 10 2HB ASN 10 9.032 7.106 -1.927 76 HD21 ASN 10 2HD2 ASN 10 10.320 8.162 -3.526 77 HD22 ASN 10 1HD2 ASN 10 9.812 9.674 -4.191 78 H TYR 11 H TYR 11 6.543 4.023 -3.629 79 HA TYR 11 HA TYR 11 7.901 2.675 -1.422 80 HB2 TYR 11 1HB TYR 11 5.384 2.794 -1.557 81 HB3 TYR 11 2HB TYR 11 5.475 1.733 -2.959 82 HD1 TYR 11 HD1 TYR 11 6.701 -0.532 -2.606 83 HD2 TYR 11 HD2 TYR 11 5.220 1.878 0.572 84 HE1 TYR 11 HE1 TYR 11 6.702 -2.495 -1.125 85 HE2 TYR 11 HE2 TYR 11 5.218 -0.079 2.062 86 HH TYR 11 HH TYR 11 6.206 -3.284 0.888 87 HA PRO 12 HA PRO 12 10.336 0.217 -4.169 88 HB2 PRO 12 1HB PRO 12 11.087 -1.684 -2.383 89 HB3 PRO 12 2HB PRO 12 11.768 -0.053 -2.393 90 HG2 PRO 12 1HG PRO 12 9.612 -1.194 -0.658 91 HG3 PRO 12 2HG PRO 12 10.970 -0.146 -0.211 92 HD2 PRO 12 1HD PRO 12 8.459 0.799 -0.572 93 HD3 PRO 12 2HD PRO 12 9.903 1.761 -0.944 94 H VAL 13 H VAL 13 9.531 -1.105 -5.663 95 HA VAL 13 HA VAL 13 7.233 -2.708 -5.278 96 HB VAL 13 HB VAL 13 9.284 -2.862 -7.493 97 HG11 VAL 13 1HG1 VAL 13 6.774 -4.290 -6.962 98 HG12 VAL 13 2HG1 VAL 13 6.915 -3.612 -8.586 99 HG13 VAL 13 3HG1 VAL 13 8.139 -4.732 -7.987 100 HG21 VAL 13 3HG2 VAL 13 7.220 -1.598 -8.615 101 HG22 VAL 13 1HG2 VAL 13 7.003 -1.048 -6.952 102 HG23 VAL 13 2HG2 VAL 13 8.524 -0.740 -7.792 103 H SER 14 H SER 14 10.625 -3.297 -4.877 104 HA SER 14 HA SER 14 10.604 -6.115 -5.068 105 HB2 SER 14 1HB SER 14 12.456 -4.106 -3.828 106 HB3 SER 14 2HB SER 14 12.701 -5.826 -3.526 107 HG SER 14 HG SER 14 12.678 -4.494 -6.029 108 H LYS 15 H LYS 15 10.362 -3.933 -2.274 109 HA LYS 15 HA LYS 15 9.987 -6.077 -0.410 110 HB2 LYS 15 1HB LYS 15 9.325 -3.170 0.041 111 HB3 LYS 15 2HB LYS 15 9.729 -4.384 1.249 112 HG2 LYS 15 1HG LYS 15 11.588 -3.210 -0.809 113 HG3 LYS 15 2HG LYS 15 11.590 -2.890 0.928 114 HD2 LYS 15 1HD LYS 15 12.057 -5.598 -0.319 115 HD3 LYS 15 2HD LYS 15 13.337 -4.505 0.213 116 HE2 LYS 15 1HE LYS 15 11.199 -5.762 1.931 117 HE3 LYS 15 2HE LYS 15 12.916 -6.164 1.920 118 HZ1 LYS 15 3HZ LYS 15 12.679 -4.762 3.734 119 HZ2 LYS 15 1HZ LYS 15 11.601 -3.728 2.941 120 HZ3 LYS 15 2HZ LYS 15 13.240 -3.716 2.529 121 H CYS 16 H CYS 16 7.958 -4.331 -2.534 122 HA CYS 16 HA CYS 16 5.520 -4.312 -1.204 123 HB2 CYS 16 1HB CYS 16 6.439 -3.866 -3.850 124 HB3 CYS 16 2HB CYS 16 5.089 -4.991 -3.955 125 H GLN 17 H GLN 17 7.220 -6.941 -2.757 126 HA GLN 17 HA GLN 17 5.189 -8.795 -3.078 127 HB2 GLN 17 1HB GLN 17 6.897 -10.500 -3.009 128 HB3 GLN 17 2HB GLN 17 7.528 -9.090 -3.851 129 HG2 GLN 17 1HG GLN 17 8.485 -8.449 -1.529 130 HG3 GLN 17 2HG GLN 17 8.233 -10.154 -1.154 131 HE21 GLN 17 2HE2 GLN 17 10.714 -9.452 -0.962 132 HE22 GLN 17 1HE2 GLN 17 11.661 -9.934 -2.323 133 H LEU 18 H LEU 18 6.729 -7.678 -0.174 134 HA LEU 18 HA LEU 18 5.727 -9.836 1.462 135 HB2 LEU 18 1HB LEU 18 7.143 -7.257 2.074 136 HB3 LEU 18 2HB LEU 18 6.555 -8.337 3.337 137 HG LEU 18 HG LEU 18 8.467 -9.286 1.223 138 HD11 LEU 18 1HD1 LEU 18 9.082 -7.847 3.790 139 HD12 LEU 18 2HD1 LEU 18 9.620 -7.446 2.160 140 HD13 LEU 18 3HD1 LEU 18 10.244 -8.886 2.964 141 HD21 LEU 18 3HD2 LEU 18 8.680 -11.150 2.489 142 HD22 LEU 18 1HD2 LEU 18 7.058 -10.692 3.010 143 HD23 LEU 18 2HD2 LEU 18 8.454 -10.282 4.008 144 H ALA 19 H ALA 19 3.793 -9.930 2.391 145 HA ALA 19 HA ALA 19 1.872 -7.852 2.002 146 HB1 ALA 19 3HB ALA 19 0.571 -9.452 3.664 147 HB2 ALA 19 1HB ALA 19 0.822 -9.873 1.969 148 HB3 ALA 19 2HB ALA 19 1.865 -10.563 3.214 149 H ASN 20 H ASN 20 3.403 -9.245 4.905 150 HA ASN 20 HA ASN 20 2.222 -7.479 6.746 151 HB2 ASN 20 1HB ASN 20 4.657 -9.234 6.807 152 HB3 ASN 20 2HB ASN 20 4.328 -8.134 8.142 153 HD21 ASN 20 2HD2 ASN 20 1.784 -8.231 8.638 154 HD22 ASN 20 1HD2 ASN 20 1.228 -9.835 8.965 155 H GLN 21 H GLN 21 4.682 -6.995 4.443 156 HA GLN 21 HA GLN 21 6.022 -4.855 5.826 157 HB2 GLN 21 1HB GLN 21 7.168 -6.299 4.160 158 HB3 GLN 21 2HB GLN 21 6.145 -5.616 2.903 159 HG2 GLN 21 1HG GLN 21 8.237 -4.511 2.802 160 HG3 GLN 21 2HG GLN 21 7.071 -3.373 3.475 161 HE21 GLN 21 2HE2 GLN 21 9.121 -5.973 4.761 162 HE22 GLN 21 1HE2 GLN 21 9.805 -5.032 6.037 163 H CYS 22 H CYS 22 3.652 -5.132 3.210 164 HA CYS 22 HA CYS 22 3.490 -2.381 2.616 165 HB2 CYS 22 1HB CYS 22 2.197 -4.795 1.780 166 HB3 CYS 22 2HB CYS 22 0.966 -3.585 2.124 167 H ASN 23 H ASN 23 1.118 -4.391 4.371 168 HA ASN 23 HA ASN 23 -0.482 -2.353 5.321 169 HB2 ASN 23 1HB ASN 23 -1.468 -3.928 6.702 170 HB3 ASN 23 2HB ASN 23 -0.688 -4.965 5.511 171 HD21 ASN 23 2HD2 ASN 23 -1.296 -4.744 8.647 172 HD22 ASN 23 1HD2 ASN 23 0.092 -5.531 9.308 173 H TYR 24 H TYR 24 2.621 -3.441 6.483 174 HA TYR 24 HA TYR 24 2.526 -2.147 9.011 175 HB2 TYR 24 1HB TYR 24 4.097 -3.926 8.713 176 HB3 TYR 24 2HB TYR 24 4.824 -3.135 7.319 177 HD1 TYR 24 HD1 TYR 24 4.235 -2.593 10.966 178 HD2 TYR 24 HD2 TYR 24 6.758 -1.892 7.612 179 HE1 TYR 24 HE1 TYR 24 5.889 -1.528 12.440 180 HE2 TYR 24 HE2 TYR 24 8.419 -0.825 9.078 181 HH TYR 24 HH TYR 24 8.288 0.405 11.419 182 H ASP 25 H ASP 25 4.027 -1.267 5.908 183 HA ASP 25 HA ASP 25 4.953 1.266 6.809 184 HB2 ASP 25 1HB ASP 25 5.941 0.065 4.883 185 HB3 ASP 25 2HB ASP 25 4.452 0.324 3.977 186 H CYS 26 H CYS 26 1.955 0.110 5.488 187 HA CYS 26 HA CYS 26 0.944 2.718 4.810 188 HB2 CYS 26 1HB CYS 26 -0.290 -0.028 4.952 189 HB3 CYS 26 2HB CYS 26 -1.258 1.407 4.632 190 H LYS 27 H LYS 27 0.210 0.324 7.343 191 HA LYS 27 HA LYS 27 -1.578 2.029 8.750 192 HB2 LYS 27 1HB LYS 27 -0.108 -0.477 9.572 193 HB3 LYS 27 2HB LYS 27 -1.274 0.342 10.603 194 HG2 LYS 27 1HG LYS 27 -2.706 0.061 8.317 195 HG3 LYS 27 2HG LYS 27 -1.696 -1.385 8.274 196 HD2 LYS 27 1HD LYS 27 -3.464 -0.521 10.563 197 HD3 LYS 27 2HD LYS 27 -3.807 -1.821 9.420 198 HE2 LYS 27 1HE LYS 27 -1.408 -2.631 10.262 199 HE3 LYS 27 2HE LYS 27 -1.908 -1.731 11.693 200 HZ1 LYS 27 3HZ LYS 27 -2.883 -3.663 12.228 201 HZ2 LYS 27 1HZ LYS 27 -2.918 -4.229 10.634 202 HZ3 LYS 27 2HZ LYS 27 -4.106 -3.155 11.176 203 H LEU 28 H LEU 28 1.763 2.052 8.450 204 HA LEU 28 HA LEU 28 2.395 2.985 11.098 205 HB2 LEU 28 1HB LEU 28 4.114 1.824 9.975 206 HB3 LEU 28 2HB LEU 28 3.936 2.811 8.526 207 HG LEU 28 HG LEU 28 4.827 4.749 9.825 208 HD11 LEU 28 1HD1 LEU 28 4.808 2.704 11.947 209 HD12 LEU 28 2HD1 LEU 28 4.652 4.457 12.053 210 HD13 LEU 28 3HD1 LEU 28 6.245 3.724 11.863 211 HD21 LEU 28 3HD2 LEU 28 6.167 2.627 8.622 212 HD22 LEU 28 1HD2 LEU 28 7.037 2.916 10.129 213 HD23 LEU 28 2HD2 LEU 28 6.814 4.231 8.973 214 H ASP 29 H ASP 29 2.652 4.534 7.892 215 HA ASP 29 HA ASP 29 2.465 7.149 9.177 216 HB2 ASP 29 1HB ASP 29 3.442 6.152 6.548 217 HB3 ASP 29 2HB ASP 29 2.812 7.795 6.611 218 H LYS 30 H LYS 30 0.933 5.381 6.493 219 HA LYS 30 HA LYS 30 -1.143 7.298 6.142 220 HB2 LYS 30 1HB LYS 30 -0.462 4.635 5.042 221 HB3 LYS 30 2HB LYS 30 -2.165 5.073 4.995 222 HG2 LYS 30 1HG LYS 30 -0.046 6.920 3.956 223 HG3 LYS 30 2HG LYS 30 -0.722 5.628 2.962 224 HD2 LYS 30 1HD LYS 30 -2.648 7.382 4.372 225 HD3 LYS 30 2HD LYS 30 -1.748 8.099 3.033 226 HE2 LYS 30 1HE LYS 30 -3.518 7.252 1.874 227 HE3 LYS 30 2HE LYS 30 -2.458 5.844 1.837 228 HZ1 LYS 30 3HZ LYS 30 -3.643 4.931 3.722 229 HZ2 LYS 30 1HZ LYS 30 -4.725 5.261 2.464 230 HZ3 LYS 30 2HZ LYS 30 -4.641 6.295 3.800 231 H HIS 31 H HIS 31 -0.596 4.993 8.508 232 HA HIS 31 HA HIS 31 -1.873 4.006 10.120 233 HB2 HIS 31 1HB HIS 31 -3.495 6.514 9.640 234 HB3 HIS 31 2HB HIS 31 -3.699 5.444 11.024 235 HD1 HIS 31 HD1 HIS 31 -0.719 4.997 11.721 236 HD2 HIS 31 HD2 HIS 31 -2.411 8.694 10.870 237 HE1 HIS 31 HE1 HIS 31 0.785 6.692 12.813 238 H ALA 32 H ALA 32 -2.463 3.301 7.334 239 HA ALA 32 HA ALA 32 -5.218 3.068 6.860 240 HB1 ALA 32 3HB ALA 32 -2.914 2.402 5.500 241 HB2 ALA 32 1HB ALA 32 -3.674 0.841 5.811 242 HB3 ALA 32 2HB ALA 32 -4.566 2.102 4.959 243 H ARG 33 H ARG 33 -5.681 0.371 6.374 244 HA ARG 33 HA ARG 33 -5.515 -0.879 9.029 245 HB2 ARG 33 1HB ARG 33 -7.761 0.281 8.501 246 HB3 ARG 33 2HB ARG 33 -8.016 -1.042 7.370 247 HG2 ARG 33 1HG ARG 33 -7.407 -2.487 9.505 248 HG3 ARG 33 2HG ARG 33 -8.003 -1.047 10.332 249 HD2 ARG 33 1HD ARG 33 -9.990 -2.102 10.105 250 HD3 ARG 33 2HD ARG 33 -9.946 -1.342 8.514 251 HE ARG 33 HE ARG 33 -8.680 -3.856 8.399 252 HH11 ARG 33 1HH1 ARG 33 -11.838 -2.428 8.726 253 HH12 ARG 33 2HH1 ARG 33 -12.662 -3.768 8.001 254 HH21 ARG 33 1HH2 ARG 33 -9.754 -5.626 7.442 255 HH22 ARG 33 2HH2 ARG 33 -11.476 -5.587 7.272 256 H SER 34 H SER 34 -6.106 -1.281 5.572 257 HA SER 34 HA SER 34 -5.103 -4.041 5.803 258 HB2 SER 34 1HB SER 34 -7.618 -3.780 5.304 259 HB3 SER 34 2HB SER 34 -7.109 -3.212 3.715 260 HG SER 34 HG SER 34 -7.001 -5.250 3.236 261 H GLY 35 H GLY 35 -3.505 -1.770 5.310 262 HA2 GLY 35 1HA GLY 35 -3.028 -1.099 2.669 263 HA3 GLY 35 2HA GLY 35 -1.789 -1.152 3.914 264 H GLU 36 H GLU 36 -2.447 -2.209 0.934 265 HA GLU 36 HA GLU 36 -0.580 -4.427 1.182 266 HB2 GLU 36 1HB GLU 36 -3.315 -4.934 1.048 267 HB3 GLU 36 2HB GLU 36 -2.753 -5.167 -0.602 268 HG2 GLU 36 1HG GLU 36 -2.650 -7.268 0.477 269 HG3 GLU 36 2HG GLU 36 -0.992 -6.693 0.303 270 H CYS 37 H CYS 37 -0.006 -5.285 -1.059 271 HA CYS 37 HA CYS 37 0.267 -2.978 -2.858 272 HB2 CYS 37 1HB CYS 37 1.905 -5.498 -2.556 273 HB3 CYS 37 2HB CYS 37 2.138 -4.347 -3.867 274 H PHE 38 H PHE 38 -0.185 -3.141 -5.048 275 HA PHE 38 HA PHE 38 -1.001 -5.559 -6.301 276 HB2 PHE 38 1HB PHE 38 -3.037 -3.956 -4.946 277 HB3 PHE 38 2HB PHE 38 -3.391 -4.218 -6.651 278 HD1 PHE 38 HD1 PHE 38 -2.703 -6.817 -7.324 279 HD2 PHE 38 HD2 PHE 38 -4.119 -5.414 -3.563 280 HE1 PHE 38 HE1 PHE 38 -3.541 -9.070 -6.803 281 HE2 PHE 38 HE2 PHE 38 -4.960 -7.665 -3.036 282 HZ PHE 38 HZ PHE 38 -4.671 -9.497 -4.656 283 H TYR 39 H TYR 39 -2.157 -4.997 -8.474 284 HA TYR 39 HA TYR 39 -0.430 -3.208 -9.864 285 HB2 TYR 39 1HB TYR 39 -2.922 -4.651 -10.788 286 HB3 TYR 39 2HB TYR 39 -1.804 -3.796 -11.845 287 HD1 TYR 39 HD2 TYR 39 -2.093 -6.664 -9.515 288 HD2 TYR 39 HD1 TYR 39 0.166 -4.837 -12.624 289 HE1 TYR 39 HE2 TYR 39 -0.740 -8.707 -9.725 290 HE2 TYR 39 HE1 TYR 39 1.525 -6.875 -12.842 291 HH TYR 39 HH TYR 39 0.731 -9.727 -11.882 292 H ASP 40 H ASP 40 -0.850 -1.232 -10.788 293 HA ASP 40 HA ASP 40 -3.248 0.142 -9.781 294 HB2 ASP 40 1HB ASP 40 -1.917 2.236 -10.306 295 HB3 ASP 40 2HB ASP 40 -1.286 1.237 -8.999 296 H GLU 41 H GLU 41 -3.570 2.230 -11.359 297 HA GLU 41 HA GLU 41 -4.833 1.224 -13.638 298 HB2 GLU 41 1HB GLU 41 -5.181 3.529 -14.289 299 HB3 GLU 41 2HB GLU 41 -5.406 3.372 -12.552 300 HG2 GLU 41 1HG GLU 41 -3.155 4.258 -12.184 301 HG3 GLU 41 2HG GLU 41 -2.947 4.434 -13.926 302 H LYS 42 H LYS 42 -1.558 2.156 -13.100 303 HA LYS 42 HA LYS 42 -0.971 2.266 -15.959 304 HB2 LYS 42 1HB LYS 42 0.923 2.642 -13.636 305 HB3 LYS 42 2HB LYS 42 1.224 3.045 -15.322 306 HG2 LYS 42 1HG LYS 42 -0.433 4.792 -15.248 307 HG3 LYS 42 2HG LYS 42 -0.878 4.342 -13.600 308 HD2 LYS 42 1HD LYS 42 0.539 6.151 -13.272 309 HD3 LYS 42 2HD LYS 42 1.619 4.770 -13.066 310 HE2 LYS 42 1HE LYS 42 2.537 5.052 -15.231 311 HE3 LYS 42 2HE LYS 42 1.272 6.188 -15.697 312 HZ1 LYS 42 3HZ LYS 42 3.395 6.664 -13.675 313 HZ2 LYS 42 1HZ LYS 42 2.149 7.746 -14.045 314 HZ3 LYS 42 2HZ LYS 42 3.305 7.358 -15.216 315 H ARG 43 H ARG 43 -1.716 -0.211 -14.396 316 HA ARG 43 HA ARG 43 -1.101 -2.399 -14.230 317 HB2 ARG 43 1HB ARG 43 0.217 -1.471 -16.756 318 HB3 ARG 43 2HB ARG 43 0.489 -3.111 -16.182 319 HG2 ARG 43 1HG ARG 43 -2.282 -2.026 -16.521 320 HG3 ARG 43 2HG ARG 43 -1.384 -2.709 -17.879 321 HD2 ARG 43 1HD ARG 43 -2.034 -4.112 -15.288 322 HD3 ARG 43 2HD ARG 43 -2.824 -4.383 -16.841 323 HE ARG 43 HE ARG 43 -0.351 -5.488 -15.970 324 HH11 ARG 43 1HH1 ARG 43 -2.046 -4.332 -18.783 325 HH12 ARG 43 2HH1 ARG 43 -1.152 -5.322 -19.889 326 HH21 ARG 43 1HH2 ARG 43 0.832 -6.795 -17.415 327 HH22 ARG 43 2HH2 ARG 43 0.484 -6.724 -19.110 328 H ASN 44 H ASN 44 0.485 -0.458 -12.738 329 HA ASN 44 HA ASN 44 3.082 -1.844 -12.651 330 HB2 ASN 44 1HB ASN 44 2.565 0.868 -12.830 331 HB3 ASN 44 2HB ASN 44 2.893 0.636 -11.115 332 HD21 ASN 44 2HD2 ASN 44 4.205 0.839 -14.245 333 HD22 ASN 44 1HD2 ASN 44 5.856 0.548 -13.826 334 H LEU 45 H LEU 45 3.904 -2.557 -10.683 335 HA LEU 45 HA LEU 45 1.888 -3.163 -8.688 336 HB2 LEU 45 1HB LEU 45 4.796 -3.937 -8.677 337 HB3 LEU 45 2HB LEU 45 3.486 -4.671 -7.754 338 HG LEU 45 HG LEU 45 3.290 -4.759 -10.715 339 HD11 LEU 45 1HD1 LEU 45 5.698 -5.334 -9.944 340 HD12 LEU 45 2HD1 LEU 45 4.854 -6.428 -11.040 341 HD13 LEU 45 3HD1 LEU 45 4.959 -6.811 -9.322 342 HD21 LEU 45 3HD2 LEU 45 1.499 -5.803 -9.725 343 HD22 LEU 45 1HD2 LEU 45 2.452 -6.391 -8.363 344 HD23 LEU 45 2HD2 LEU 45 2.602 -7.163 -9.942 345 H GLN 46 H GLN 46 1.500 -1.789 -7.091 346 HA GLN 46 HA GLN 46 3.770 -0.486 -5.767 347 HB2 GLN 46 1HB GLN 46 1.218 0.897 -6.610 348 HB3 GLN 46 2HB GLN 46 2.448 1.606 -5.574 349 HG2 GLN 46 1HG GLN 46 4.043 1.087 -7.554 350 HG3 GLN 46 2HG GLN 46 2.553 1.001 -8.491 351 HE21 GLN 46 2HE2 GLN 46 4.821 2.914 -8.521 352 HE22 GLN 46 1HE2 GLN 46 4.101 4.472 -8.325 353 H CYS 47 H CYS 47 2.893 0.658 -3.685 354 HA CYS 47 HA CYS 47 1.267 -1.346 -2.287 355 HB2 CYS 47 1HB CYS 47 3.623 -0.706 -1.503 356 HB3 CYS 47 2HB CYS 47 2.910 0.819 -0.987 357 H ILE 48 H ILE 48 -0.818 -0.843 -2.177 358 HA ILE 48 HA ILE 48 -1.606 1.973 -1.946 359 HB ILE 48 HB ILE 48 -3.360 -0.421 -2.505 360 HG12 ILE 48 1HG1 ILE 48 -3.345 0.967 -4.818 361 HG13 ILE 48 2HG1 ILE 48 -1.713 1.313 -4.258 362 HG21 ILE 48 1HG2 ILE 48 -3.836 2.526 -2.365 363 HG22 ILE 48 2HG2 ILE 48 -4.825 1.518 -3.421 364 HG23 ILE 48 3HG2 ILE 48 -4.786 1.204 -1.686 365 HD11 ILE 48 3HD1 ILE 48 -2.233 -1.472 -3.949 366 HD12 ILE 48 1HD1 ILE 48 -2.649 -0.977 -5.590 367 HD13 ILE 48 2HD1 ILE 48 -1.032 -0.668 -4.957 368 H CYS 49 H CYS 49 -2.390 2.783 -0.111 369 HA CYS 49 HA CYS 49 -2.902 0.930 2.109 370 HB2 CYS 49 1HB CYS 49 -2.537 3.914 2.336 371 HB3 CYS 49 2HB CYS 49 -2.378 2.700 3.600 372 H ASP 50 H ASP 50 -4.868 0.738 2.993 373 HA ASP 50 HA ASP 50 -6.973 2.574 2.051 374 HB2 ASP 50 1HB ASP 50 -7.135 0.171 1.296 375 HB3 ASP 50 2HB ASP 50 -7.367 -0.272 2.985 376 H TYR 51 H TYR 51 -7.903 3.806 3.539 377 HA TYR 51 HA TYR 51 -7.834 2.920 6.347 378 HB2 TYR 51 1HB TYR 51 -6.205 4.754 5.885 379 HB3 TYR 51 2HB TYR 51 -7.551 5.774 5.389 380 HD1 TYR 51 HD2 TYR 51 -7.153 3.439 8.277 381 HD2 TYR 51 HD1 TYR 51 -7.799 7.439 6.977 382 HE1 TYR 51 HE2 TYR 51 -7.477 4.140 10.612 383 HE2 TYR 51 HE1 TYR 51 -8.123 8.151 9.309 384 HH TYR 51 HH TYR 51 -8.609 7.325 11.436 385 H CYS 52 H CYS 52 -9.837 2.484 6.971 386 HA CYS 52 HA CYS 52 -11.999 4.286 6.097 387 HB2 CYS 52 1HB CYS 52 -11.885 1.769 5.263 388 HB3 CYS 52 2HB CYS 52 -12.604 1.459 6.840 389 H GLU 53 H GLU 53 -13.472 4.944 7.619 390 HA GLU 53 HA GLU 53 -13.042 4.007 10.376 391 HB2 GLU 53 1HB GLU 53 -13.386 6.303 11.178 392 HB3 GLU 53 2HB GLU 53 -11.981 6.188 10.126 393 HG2 GLU 53 1HG GLU 53 -12.886 8.039 9.223 394 HG3 GLU 53 2HG GLU 53 -13.814 6.854 8.304 395 H TYR 54 H TYR 54 -14.829 3.273 11.306 396 HA TYR 54 HA TYR 54 -17.333 3.289 10.004 397 HB2 TYR 54 1HB TYR 54 -16.803 2.709 12.923 398 HB3 TYR 54 2HB TYR 54 -18.181 2.169 11.971 399 HD1 TYR 54 HD2 TYR 54 -17.538 0.748 9.829 400 HD2 TYR 54 HD1 TYR 54 -15.052 1.238 13.247 401 HE1 TYR 54 HE2 TYR 54 -16.328 -1.309 9.237 402 HE2 TYR 54 HE1 TYR 54 -13.834 -0.817 12.664 403 HH TYR 54 HH TYR 54 -13.896 -2.689 11.369 Start of MODEL 16 1 H1 ASP 2 H ASP 2 -18.693 5.901 4.475 2 HA ASP 2 HA ASP 2 -17.109 4.175 3.223 3 HB2 ASP 2 1HB ASP 2 -17.405 7.127 2.809 4 HB3 ASP 2 2HB ASP 2 -16.274 6.222 1.807 5 H CYS 3 H CYS 3 -14.869 4.182 2.469 6 HA CYS 3 HA CYS 3 -13.036 5.202 4.540 7 HB2 CYS 3 1HB CYS 3 -12.525 2.802 2.783 8 HB3 CYS 3 2HB CYS 3 -11.658 3.282 4.238 9 H LYS 4 H LYS 4 -10.690 5.274 3.635 10 HA LYS 4 HA LYS 4 -10.764 6.528 0.968 11 HB2 LYS 4 1HB LYS 4 -9.235 8.196 1.678 12 HB3 LYS 4 2HB LYS 4 -10.471 8.110 2.926 13 HG2 LYS 4 1HG LYS 4 -8.843 7.893 4.411 14 HG3 LYS 4 2HG LYS 4 -8.509 6.300 3.727 15 HD2 LYS 4 1HD LYS 4 -6.451 7.201 3.428 16 HD3 LYS 4 2HD LYS 4 -7.196 7.823 1.954 17 HE2 LYS 4 1HE LYS 4 -7.609 9.941 2.974 18 HE3 LYS 4 2HE LYS 4 -7.139 9.333 4.561 19 HZ1 LYS 4 3HZ LYS 4 -5.470 10.717 3.191 20 HZ2 LYS 4 1HZ LYS 4 -5.211 9.279 2.336 21 HZ3 LYS 4 2HZ LYS 4 -4.919 9.338 4.001 22 H ARG 5 H ARG 5 -8.870 6.335 -0.320 23 HA ARG 5 HA ARG 5 -6.810 4.479 0.572 24 HB2 ARG 5 1HB ARG 5 -7.059 3.130 -1.529 25 HB3 ARG 5 2HB ARG 5 -8.376 2.942 -0.378 26 HG2 ARG 5 1HG ARG 5 -9.497 3.124 -2.377 27 HG3 ARG 5 2HG ARG 5 -9.535 4.784 -1.783 28 HD2 ARG 5 1HD ARG 5 -8.317 5.528 -3.500 29 HD3 ARG 5 2HD ARG 5 -7.150 4.215 -3.341 30 HE ARG 5 HE ARG 5 -9.613 3.365 -4.521 31 HH11 ARG 5 1HH1 ARG 5 -6.556 4.904 -5.158 32 HH12 ARG 5 2HH1 ARG 5 -6.534 4.461 -6.834 33 HH21 ARG 5 1HH2 ARG 5 -9.596 2.775 -6.725 34 HH22 ARG 5 2HH2 ARG 5 -8.264 3.251 -7.723 35 H LYS 6 H LYS 6 -4.870 4.660 -0.549 36 HA LYS 6 HA LYS 6 -4.662 6.347 -2.879 37 HB2 LYS 6 1HB LYS 6 -4.706 8.080 -1.215 38 HB3 LYS 6 2HB LYS 6 -3.537 7.224 -0.218 39 HG2 LYS 6 1HG LYS 6 -1.769 7.714 -1.662 40 HG3 LYS 6 2HG LYS 6 -2.853 8.148 -2.985 41 HD2 LYS 6 1HD LYS 6 -2.874 9.700 -0.422 42 HD3 LYS 6 2HD LYS 6 -1.664 10.031 -1.663 43 HE2 LYS 6 1HE LYS 6 -3.207 10.854 -3.139 44 HE3 LYS 6 2HE LYS 6 -4.516 9.868 -2.490 45 HZ1 LYS 6 3HZ LYS 6 -4.002 12.531 -1.955 46 HZ2 LYS 6 1HZ LYS 6 -3.605 11.700 -0.535 47 HZ3 LYS 6 2HZ LYS 6 -5.150 11.539 -1.206 48 H VAL 7 H VAL 7 -2.765 6.036 -4.007 49 HA VAL 7 HA VAL 7 -1.070 3.858 -3.009 50 HB VAL 7 HB VAL 7 -2.083 3.430 -5.171 51 HG11 VAL 7 1HG1 VAL 7 -0.696 5.242 -6.857 52 HG12 VAL 7 2HG1 VAL 7 -2.437 5.060 -6.635 53 HG13 VAL 7 3HG1 VAL 7 -1.529 6.178 -5.617 54 HG21 VAL 7 3HG2 VAL 7 0.831 4.041 -5.617 55 HG22 VAL 7 1HG2 VAL 7 0.260 2.675 -4.660 56 HG23 VAL 7 2HG2 VAL 7 -0.139 2.778 -6.375 57 H TYR 8 H TYR 8 1.114 4.057 -2.794 58 HA TYR 8 HA TYR 8 2.264 6.717 -3.329 59 HB2 TYR 8 1HB TYR 8 1.846 5.787 -0.844 60 HB3 TYR 8 2HB TYR 8 3.426 5.073 -1.147 61 HD1 TYR 8 HD1 TYR 8 1.867 8.385 -1.933 62 HD2 TYR 8 HD2 TYR 8 5.106 6.284 -0.144 63 HE1 TYR 8 HE1 TYR 8 2.937 10.527 -1.368 64 HE2 TYR 8 HE2 TYR 8 6.184 8.419 0.427 65 HH TYR 8 HH TYR 8 6.046 10.885 -0.610 66 H GLU 9 H GLU 9 3.143 6.084 -5.306 67 HA GLU 9 HA GLU 9 4.608 3.756 -5.790 68 HB2 GLU 9 1HB GLU 9 5.340 4.776 -7.795 69 HB3 GLU 9 2HB GLU 9 3.735 5.425 -7.491 70 HG2 GLU 9 1HG GLU 9 4.966 7.379 -6.366 71 HG3 GLU 9 2HG GLU 9 6.390 6.772 -7.208 72 H ASN 10 H ASN 10 5.442 6.599 -4.052 73 HA ASN 10 HA ASN 10 8.213 6.663 -4.323 74 HB2 ASN 10 1HB ASN 10 6.234 7.701 -2.428 75 HB3 ASN 10 2HB ASN 10 7.803 7.382 -1.693 76 HD21 ASN 10 2HD2 ASN 10 9.690 8.310 -2.812 77 HD22 ASN 10 1HD2 ASN 10 9.513 9.860 -3.556 78 H TYR 11 H TYR 11 6.182 4.427 -2.652 79 HA TYR 11 HA TYR 11 8.149 3.405 -0.860 80 HB2 TYR 11 1HB TYR 11 5.430 2.557 -1.754 81 HB3 TYR 11 2HB TYR 11 6.453 1.372 -0.951 82 HD1 TYR 11 HD1 TYR 11 7.790 2.787 1.137 83 HD2 TYR 11 HD2 TYR 11 3.817 3.315 -0.290 84 HE1 TYR 11 HE1 TYR 11 7.131 3.695 3.325 85 HE2 TYR 11 HE2 TYR 11 3.146 4.225 1.893 86 HH TYR 11 HH TYR 11 5.076 5.414 4.060 87 HA PRO 12 HA PRO 12 10.463 0.715 -3.444 88 HB2 PRO 12 1HB PRO 12 11.026 -1.305 -1.721 89 HB3 PRO 12 2HB PRO 12 11.782 0.290 -1.612 90 HG2 PRO 12 1HG PRO 12 9.484 -0.827 -0.053 91 HG3 PRO 12 2HG PRO 12 10.862 0.131 0.518 92 HD2 PRO 12 1HD PRO 12 8.419 1.212 0.074 93 HD3 PRO 12 2HD PRO 12 9.925 2.120 -0.173 94 H VAL 13 H VAL 13 9.601 -0.426 -5.056 95 HA VAL 13 HA VAL 13 7.258 -2.003 -4.805 96 HB VAL 13 HB VAL 13 9.266 -2.102 -7.056 97 HG11 VAL 13 1HG1 VAL 13 7.810 -3.848 -7.445 98 HG12 VAL 13 2HG1 VAL 13 6.442 -3.011 -6.709 99 HG13 VAL 13 3HG1 VAL 13 7.019 -2.527 -8.305 100 HG21 VAL 13 3HG2 VAL 13 7.701 -0.419 -8.120 101 HG22 VAL 13 1HG2 VAL 13 7.022 -0.174 -6.511 102 HG23 VAL 13 2HG2 VAL 13 8.722 0.186 -6.816 103 H SER 14 H SER 14 10.530 -2.646 -4.156 104 HA SER 14 HA SER 14 10.578 -5.428 -4.754 105 HB2 SER 14 1HB SER 14 12.372 -3.464 -3.589 106 HB3 SER 14 2HB SER 14 12.441 -4.997 -2.718 107 HG SER 14 HG SER 14 13.326 -4.369 -5.230 108 H LYS 15 H LYS 15 9.526 -3.536 -2.028 109 HA LYS 15 HA LYS 15 9.329 -5.818 -0.260 110 HB2 LYS 15 1HB LYS 15 8.786 -2.891 -0.041 111 HB3 LYS 15 2HB LYS 15 8.000 -3.974 1.100 112 HG2 LYS 15 1HG LYS 15 10.067 -3.078 2.010 113 HG3 LYS 15 2HG LYS 15 10.167 -4.828 1.806 114 HD2 LYS 15 1HD LYS 15 11.573 -4.642 -0.062 115 HD3 LYS 15 2HD LYS 15 11.176 -2.939 -0.300 116 HE2 LYS 15 1HE LYS 15 13.330 -2.931 0.629 117 HE3 LYS 15 2HE LYS 15 12.258 -2.541 1.973 118 HZ1 LYS 15 3HZ LYS 15 12.402 -4.799 2.741 119 HZ2 LYS 15 1HZ LYS 15 13.968 -4.187 2.551 120 HZ3 LYS 15 2HZ LYS 15 13.331 -5.251 1.401 121 H CYS 16 H CYS 16 7.468 -4.506 -2.732 122 HA CYS 16 HA CYS 16 4.851 -4.695 -1.902 123 HB2 CYS 16 1HB CYS 16 5.310 -3.866 -4.089 124 HB3 CYS 16 2HB CYS 16 6.107 -5.363 -4.562 125 H GLN 17 H GLN 17 7.022 -7.289 -2.913 126 HA GLN 17 HA GLN 17 5.218 -9.389 -3.065 127 HB2 GLN 17 1HB GLN 17 7.108 -10.865 -2.692 128 HB3 GLN 17 2HB GLN 17 7.588 -9.536 -3.738 129 HG2 GLN 17 1HG GLN 17 8.230 -8.548 -1.292 130 HG3 GLN 17 2HG GLN 17 8.524 -10.271 -1.063 131 HE21 GLN 17 2HE2 GLN 17 10.739 -10.004 -0.913 132 HE22 GLN 17 1HE2 GLN 17 11.723 -9.615 -2.278 133 H LEU 18 H LEU 18 6.704 -7.899 -0.257 134 HA LEU 18 HA LEU 18 5.839 -9.887 1.602 135 HB2 LEU 18 1HB LEU 18 7.042 -7.170 1.779 136 HB3 LEU 18 2HB LEU 18 6.268 -7.841 3.213 137 HG LEU 18 HG LEU 18 8.784 -8.132 3.004 138 HD11 LEU 18 1HD1 LEU 18 7.935 -9.416 4.682 139 HD12 LEU 18 2HD1 LEU 18 8.485 -10.693 3.597 140 HD13 LEU 18 3HD1 LEU 18 6.782 -10.234 3.628 141 HD21 LEU 18 3HD2 LEU 18 8.847 -8.741 0.642 142 HD22 LEU 18 1HD2 LEU 18 7.916 -10.200 0.986 143 HD23 LEU 18 2HD2 LEU 18 9.542 -10.017 1.644 144 H ALA 19 H ALA 19 3.992 -10.033 2.743 145 HA ALA 19 HA ALA 19 1.837 -8.196 2.050 146 HB1 ALA 19 3HB ALA 19 0.656 -10.034 3.635 147 HB2 ALA 19 1HB ALA 19 0.868 -10.221 1.894 148 HB3 ALA 19 2HB ALA 19 2.012 -10.972 3.009 149 H ASN 20 H ASN 20 3.839 -9.094 4.755 150 HA ASN 20 HA ASN 20 2.209 -7.592 6.641 151 HB2 ASN 20 1HB ASN 20 4.525 -9.456 6.843 152 HB3 ASN 20 2HB ASN 20 4.319 -8.266 8.126 153 HD21 ASN 20 2HD2 ASN 20 3.977 -11.267 7.905 154 HD22 ASN 20 1HD2 ASN 20 2.422 -11.560 8.600 155 H GLN 21 H GLN 21 4.811 -7.058 4.532 156 HA GLN 21 HA GLN 21 6.064 -4.957 6.054 157 HB2 GLN 21 1HB GLN 21 7.262 -6.415 4.385 158 HB3 GLN 21 2HB GLN 21 6.393 -5.565 3.115 159 HG2 GLN 21 1HG GLN 21 8.356 -4.405 3.139 160 HG3 GLN 21 2HG GLN 21 7.394 -3.441 4.258 161 HE21 GLN 21 2HE2 GLN 21 8.394 -2.895 6.047 162 HE22 GLN 21 1HE2 GLN 21 9.670 -3.768 6.814 163 H CYS 22 H CYS 22 3.890 -5.165 3.266 164 HA CYS 22 HA CYS 22 3.768 -2.404 2.725 165 HB2 CYS 22 1HB CYS 22 2.486 -4.804 1.788 166 HB3 CYS 22 2HB CYS 22 1.281 -3.542 2.022 167 H ASN 23 H ASN 23 1.276 -4.436 4.277 168 HA ASN 23 HA ASN 23 -0.369 -2.403 5.165 169 HB2 ASN 23 1HB ASN 23 -1.463 -4.002 6.431 170 HB3 ASN 23 2HB ASN 23 -0.609 -5.019 5.275 171 HD21 ASN 23 2HD2 ASN 23 -1.419 -4.820 8.380 172 HD22 ASN 23 1HD2 ASN 23 -0.094 -5.653 9.112 173 H TYR 24 H TYR 24 2.636 -3.559 6.510 174 HA TYR 24 HA TYR 24 2.385 -2.338 9.059 175 HB2 TYR 24 1HB TYR 24 3.975 -4.100 8.827 176 HB3 TYR 24 2HB TYR 24 4.772 -3.296 7.481 177 HD1 TYR 24 HD1 TYR 24 4.121 -3.015 11.128 178 HD2 TYR 24 HD2 TYR 24 6.577 -1.846 7.856 179 HE1 TYR 24 HE1 TYR 24 5.706 -1.976 12.696 180 HE2 TYR 24 HE2 TYR 24 8.169 -0.804 9.416 181 HH TYR 24 HH TYR 24 8.806 -0.783 11.655 182 H ASP 25 H ASP 25 4.102 -1.364 6.098 183 HA ASP 25 HA ASP 25 4.998 1.120 7.115 184 HB2 ASP 25 1HB ASP 25 4.639 0.097 4.297 185 HB3 ASP 25 2HB ASP 25 5.329 1.676 4.665 186 H CYS 26 H CYS 26 2.027 0.077 5.630 187 HA CYS 26 HA CYS 26 1.070 2.730 5.073 188 HB2 CYS 26 1HB CYS 26 -0.178 -0.009 5.007 189 HB3 CYS 26 2HB CYS 26 -1.148 1.444 4.778 190 H LYS 27 H LYS 27 0.152 0.203 7.413 191 HA LYS 27 HA LYS 27 -1.635 1.855 8.862 192 HB2 LYS 27 1HB LYS 27 -0.188 -0.649 9.748 193 HB3 LYS 27 2HB LYS 27 -1.560 0.082 10.572 194 HG2 LYS 27 1HG LYS 27 -3.059 -0.600 8.975 195 HG3 LYS 27 2HG LYS 27 -1.834 -0.690 7.707 196 HD2 LYS 27 1HD LYS 27 -2.260 -2.924 8.147 197 HD3 LYS 27 2HD LYS 27 -0.846 -2.607 9.154 198 HE2 LYS 27 1HE LYS 27 -2.702 -1.997 10.936 199 HE3 LYS 27 2HE LYS 27 -3.680 -3.070 9.935 200 HZ1 LYS 27 3HZ LYS 27 -2.140 -4.837 10.284 201 HZ2 LYS 27 1HZ LYS 27 -2.527 -4.192 11.800 202 HZ3 LYS 27 2HZ LYS 27 -1.044 -3.820 11.076 203 H LEU 28 H LEU 28 1.717 1.848 8.686 204 HA LEU 28 HA LEU 28 2.260 2.639 11.398 205 HB2 LEU 28 1HB LEU 28 4.017 1.524 10.302 206 HB3 LEU 28 2HB LEU 28 3.886 2.551 8.877 207 HG LEU 28 HG LEU 28 4.844 4.417 10.099 208 HD11 LEU 28 1HD1 LEU 28 4.385 4.404 12.299 209 HD12 LEU 28 2HD1 LEU 28 5.901 3.510 12.413 210 HD13 LEU 28 3HD1 LEU 28 4.365 2.643 12.396 211 HD21 LEU 28 3HD2 LEU 28 6.999 3.718 9.909 212 HD22 LEU 28 1HD2 LEU 28 6.206 2.359 9.109 213 HD23 LEU 28 2HD2 LEU 28 6.711 2.218 10.793 214 H ASP 29 H ASP 29 2.655 4.346 8.288 215 HA ASP 29 HA ASP 29 2.448 6.894 9.700 216 HB2 ASP 29 1HB ASP 29 3.592 5.992 7.126 217 HB3 ASP 29 2HB ASP 29 2.859 7.594 7.113 218 H LYS 30 H LYS 30 1.001 5.291 6.867 219 HA LYS 30 HA LYS 30 -1.040 7.248 6.540 220 HB2 LYS 30 1HB LYS 30 -1.169 4.414 5.527 221 HB3 LYS 30 2HB LYS 30 -1.900 5.852 4.829 222 HG2 LYS 30 1HG LYS 30 1.027 5.162 4.902 223 HG3 LYS 30 2HG LYS 30 -0.029 5.196 3.489 224 HD2 LYS 30 1HD LYS 30 0.707 7.572 5.200 225 HD3 LYS 30 2HD LYS 30 1.381 7.196 3.611 226 HE2 LYS 30 1HE LYS 30 -0.889 7.366 2.651 227 HE3 LYS 30 2HE LYS 30 -1.502 7.827 4.238 228 HZ1 LYS 30 3HZ LYS 30 -0.698 9.569 2.380 229 HZ2 LYS 30 1HZ LYS 30 0.729 9.399 3.272 230 HZ3 LYS 30 2HZ LYS 30 -0.693 9.895 4.040 231 H HIS 31 H HIS 31 -0.606 4.842 8.819 232 HA HIS 31 HA HIS 31 -1.950 3.803 10.342 233 HB2 HIS 31 1HB HIS 31 -2.348 6.391 10.627 234 HB3 HIS 31 2HB HIS 31 -3.959 6.000 10.033 235 HD1 HIS 31 HD1 HIS 31 -4.930 6.656 12.367 236 HD2 HIS 31 HD2 HIS 31 -2.328 3.416 12.415 237 HE1 HIS 31 HE1 HIS 31 -5.257 5.563 14.609 238 H ALA 32 H ALA 32 -2.415 3.213 7.497 239 HA ALA 32 HA ALA 32 -5.143 2.980 6.898 240 HB1 ALA 32 3HB ALA 32 -4.392 2.115 4.989 241 HB2 ALA 32 1HB ALA 32 -2.766 2.357 5.628 242 HB3 ALA 32 2HB ALA 32 -3.567 0.799 5.822 243 H ARG 33 H ARG 33 -5.574 0.304 6.292 244 HA ARG 33 HA ARG 33 -5.522 -1.041 8.905 245 HB2 ARG 33 1HB ARG 33 -7.927 -1.004 7.079 246 HB3 ARG 33 2HB ARG 33 -7.823 -1.710 8.686 247 HG2 ARG 33 1HG ARG 33 -7.235 0.749 9.384 248 HG3 ARG 33 2HG ARG 33 -8.062 1.141 7.875 249 HD2 ARG 33 1HD ARG 33 -10.054 0.011 8.615 250 HD3 ARG 33 2HD ARG 33 -9.232 -0.575 10.060 251 HE ARG 33 HE ARG 33 -10.405 2.004 9.675 252 HH11 ARG 33 1HH1 ARG 33 -7.900 0.261 11.351 253 HH12 ARG 33 2HH1 ARG 33 -7.813 1.388 12.663 254 HH21 ARG 33 1HH2 ARG 33 -10.300 3.495 11.398 255 HH22 ARG 33 2HH2 ARG 33 -9.180 3.226 12.690 256 H SER 34 H SER 34 -5.942 -1.333 5.411 257 HA SER 34 HA SER 34 -4.894 -4.078 5.595 258 HB2 SER 34 1HB SER 34 -7.371 -3.953 5.047 259 HB3 SER 34 2HB SER 34 -6.908 -3.182 3.529 260 HG SER 34 HG SER 34 -6.003 -5.025 2.846 261 H GLY 35 H GLY 35 -3.319 -1.782 5.228 262 HA2 GLY 35 1HA GLY 35 -2.763 -0.951 2.669 263 HA3 GLY 35 2HA GLY 35 -1.540 -1.143 3.917 264 H GLU 36 H GLU 36 -2.337 -2.011 0.860 265 HA GLU 36 HA GLU 36 -0.396 -4.164 0.863 266 HB2 GLU 36 1HB GLU 36 -2.921 -4.982 1.186 267 HB3 GLU 36 2HB GLU 36 -2.921 -4.819 -0.565 268 HG2 GLU 36 1HG GLU 36 -2.389 -7.093 0.162 269 HG3 GLU 36 2HG GLU 36 -1.073 -6.357 -0.751 270 H CYS 37 H CYS 37 0.142 -4.863 -1.376 271 HA CYS 37 HA CYS 37 -0.044 -2.561 -3.189 272 HB2 CYS 37 1HB CYS 37 1.999 -3.252 -4.158 273 HB3 CYS 37 2HB CYS 37 2.216 -3.464 -2.424 274 H PHE 38 H PHE 38 -0.415 -2.894 -5.436 275 HA PHE 38 HA PHE 38 -1.147 -5.439 -6.485 276 HB2 PHE 38 1HB PHE 38 -3.243 -3.716 -5.329 277 HB3 PHE 38 2HB PHE 38 -3.580 -4.305 -6.954 278 HD1 PHE 38 HD1 PHE 38 -2.737 -6.948 -7.132 279 HD2 PHE 38 HD2 PHE 38 -4.270 -4.946 -3.704 280 HE1 PHE 38 HE1 PHE 38 -3.459 -9.106 -6.198 281 HE2 PHE 38 HE2 PHE 38 -4.994 -7.101 -2.764 282 HZ PHE 38 HZ PHE 38 -4.590 -9.185 -4.012 283 H TYR 39 H TYR 39 -1.763 -5.336 -8.735 284 HA TYR 39 HA TYR 39 -0.298 -3.470 -10.208 285 HB2 TYR 39 1HB TYR 39 -1.551 -4.371 -12.181 286 HB3 TYR 39 2HB TYR 39 -0.819 -5.610 -11.168 287 HD1 TYR 39 HD2 TYR 39 -4.012 -3.983 -12.067 288 HD2 TYR 39 HD1 TYR 39 -2.150 -7.246 -10.071 289 HE1 TYR 39 HE2 TYR 39 -6.197 -5.092 -11.855 290 HE2 TYR 39 HE1 TYR 39 -4.329 -8.366 -9.854 291 HH TYR 39 HH TYR 39 -7.117 -7.009 -10.015 292 H ASP 40 H ASP 40 -0.825 -1.631 -11.323 293 HA ASP 40 HA ASP 40 -3.407 -0.415 -10.619 294 HB2 ASP 40 1HB ASP 40 -2.227 1.743 -11.266 295 HB3 ASP 40 2HB ASP 40 -1.638 0.943 -9.812 296 H GLU 41 H GLU 41 -3.810 1.476 -12.403 297 HA GLU 41 HA GLU 41 -4.705 0.099 -14.696 298 HB2 GLU 41 1HB GLU 41 -5.498 2.209 -15.480 299 HB3 GLU 41 2HB GLU 41 -5.715 2.191 -13.735 300 HG2 GLU 41 1HG GLU 41 -3.617 3.489 -13.511 301 HG3 GLU 41 2HG GLU 41 -3.540 3.592 -15.268 302 H LYS 42 H LYS 42 -1.704 1.547 -13.913 303 HA LYS 42 HA LYS 42 -0.880 1.761 -16.707 304 HB2 LYS 42 1HB LYS 42 0.757 2.356 -14.241 305 HB3 LYS 42 2HB LYS 42 1.095 2.857 -15.892 306 HG2 LYS 42 1HG LYS 42 -1.103 4.140 -15.776 307 HG3 LYS 42 2HG LYS 42 -1.033 3.862 -14.035 308 HD2 LYS 42 1HD LYS 42 -0.014 5.937 -14.271 309 HD3 LYS 42 2HD LYS 42 1.360 4.829 -14.216 310 HE2 LYS 42 1HE LYS 42 1.446 4.848 -16.673 311 HE3 LYS 42 2HE LYS 42 0.101 5.988 -16.702 312 HZ1 LYS 42 3HZ LYS 42 2.389 6.749 -15.079 313 HZ2 LYS 42 1HZ LYS 42 1.415 7.693 -16.090 314 HZ3 LYS 42 2HZ LYS 42 2.643 6.736 -16.752 315 H ARG 43 H ARG 43 -1.398 -0.810 -15.179 316 HA ARG 43 HA ARG 43 -0.509 -2.897 -14.985 317 HB2 ARG 43 1HB ARG 43 1.024 -1.770 -17.315 318 HB3 ARG 43 2HB ARG 43 1.295 -3.412 -16.751 319 HG2 ARG 43 1HG ARG 43 -0.260 -3.826 -18.347 320 HG3 ARG 43 2HG ARG 43 -1.336 -3.539 -16.978 321 HD2 ARG 43 1HD ARG 43 -2.135 -2.319 -18.900 322 HD3 ARG 43 2HD ARG 43 -1.553 -1.185 -17.682 323 HE ARG 43 HE ARG 43 0.536 -1.747 -19.467 324 HH11 ARG 43 1HH1 ARG 43 -2.544 -0.124 -19.383 325 HH12 ARG 43 2HH1 ARG 43 -2.123 1.017 -20.617 326 HH21 ARG 43 1HH2 ARG 43 1.100 -0.250 -21.093 327 HH22 ARG 43 2HH2 ARG 43 -0.050 0.944 -21.589 328 H ASN 44 H ASN 44 0.662 -0.701 -13.389 329 HA ASN 44 HA ASN 44 3.372 -1.774 -12.978 330 HB2 ASN 44 1HB ASN 44 2.176 0.938 -12.606 331 HB3 ASN 44 2HB ASN 44 3.495 0.453 -11.546 332 HD21 ASN 44 2HD2 ASN 44 4.203 2.482 -12.868 333 HD22 ASN 44 1HD2 ASN 44 5.160 2.129 -14.263 334 H LEU 45 H LEU 45 4.112 -2.058 -10.791 335 HA LEU 45 HA LEU 45 1.925 -2.826 -8.990 336 HB2 LEU 45 1HB LEU 45 4.788 -3.598 -8.600 337 HB3 LEU 45 2HB LEU 45 3.330 -4.419 -8.045 338 HG LEU 45 HG LEU 45 4.400 -4.351 -10.866 339 HD11 LEU 45 1HD1 LEU 45 4.607 -6.227 -8.612 340 HD12 LEU 45 2HD1 LEU 45 5.664 -5.998 -10.005 341 HD13 LEU 45 3HD1 LEU 45 4.188 -6.950 -10.166 342 HD21 LEU 45 3HD2 LEU 45 2.475 -6.204 -10.937 343 HD22 LEU 45 1HD2 LEU 45 2.194 -4.513 -11.351 344 HD23 LEU 45 2HD2 LEU 45 1.769 -5.110 -9.747 345 H GLN 46 H GLN 46 1.506 -1.586 -7.296 346 HA GLN 46 HA GLN 46 3.696 -0.163 -5.976 347 HB2 GLN 46 1HB GLN 46 1.085 1.220 -6.562 348 HB3 GLN 46 2HB GLN 46 2.577 1.928 -5.960 349 HG2 GLN 46 1HG GLN 46 3.652 1.598 -8.084 350 HG3 GLN 46 2HG GLN 46 2.243 0.734 -8.701 351 HE21 GLN 46 2HE2 GLN 46 0.156 2.054 -8.482 352 HE22 GLN 46 1HE2 GLN 46 0.256 3.702 -8.990 353 H CYS 47 H CYS 47 3.132 0.595 -3.809 354 HA CYS 47 HA CYS 47 1.330 -1.297 -2.510 355 HB2 CYS 47 1HB CYS 47 3.714 -0.894 -1.728 356 HB3 CYS 47 2HB CYS 47 3.170 0.685 -1.169 357 H ILE 48 H ILE 48 -0.719 -0.677 -2.322 358 HA ILE 48 HA ILE 48 -1.327 2.162 -1.896 359 HB ILE 48 HB ILE 48 -3.230 -0.078 -2.586 360 HG12 ILE 48 1HG1 ILE 48 -3.133 1.557 -4.774 361 HG13 ILE 48 2HG1 ILE 48 -1.459 1.605 -4.231 362 HG21 ILE 48 1HG2 ILE 48 -4.325 1.758 -1.456 363 HG22 ILE 48 2HG2 ILE 48 -3.579 2.915 -2.557 364 HG23 ILE 48 3HG2 ILE 48 -4.766 1.761 -3.163 365 HD11 ILE 48 3HD1 ILE 48 -2.307 -1.092 -4.163 366 HD12 ILE 48 1HD1 ILE 48 -2.788 -0.407 -5.716 367 HD13 ILE 48 2HD1 ILE 48 -1.101 -0.341 -5.208 368 H CYS 49 H CYS 49 -2.628 2.859 -0.199 369 HA CYS 49 HA CYS 49 -2.991 0.911 1.984 370 HB2 CYS 49 1HB CYS 49 -2.576 3.871 2.380 371 HB3 CYS 49 2HB CYS 49 -2.463 2.586 3.579 372 H ASP 50 H ASP 50 -4.824 1.177 3.339 373 HA ASP 50 HA ASP 50 -6.936 2.926 2.277 374 HB2 ASP 50 1HB ASP 50 -6.943 0.240 1.812 375 HB3 ASP 50 2HB ASP 50 -7.851 0.324 3.319 376 H TYR 51 H TYR 51 -7.936 4.085 3.792 377 HA TYR 51 HA TYR 51 -7.669 3.228 6.600 378 HB2 TYR 51 1HB TYR 51 -6.284 5.232 5.974 379 HB3 TYR 51 2HB TYR 51 -7.782 6.088 5.629 380 HD1 TYR 51 HD2 TYR 51 -7.023 3.753 8.427 381 HD2 TYR 51 HD1 TYR 51 -7.872 7.755 7.261 382 HE1 TYR 51 HE2 TYR 51 -7.190 4.401 10.793 383 HE2 TYR 51 HE1 TYR 51 -8.041 8.415 9.624 384 HH TYR 51 HH TYR 51 -8.621 6.675 11.981 385 H CYS 52 H CYS 52 -9.536 2.790 7.545 386 HA CYS 52 HA CYS 52 -12.002 3.889 6.392 387 HB2 CYS 52 1HB CYS 52 -11.422 1.447 8.053 388 HB3 CYS 52 2HB CYS 52 -13.060 2.068 7.881 389 H GLU 53 H GLU 53 -13.373 5.144 7.547 390 HA GLU 53 HA GLU 53 -12.533 5.848 10.280 391 HB2 GLU 53 1HB GLU 53 -12.606 7.568 8.276 392 HB3 GLU 53 2HB GLU 53 -14.320 7.616 8.667 393 HG2 GLU 53 1HG GLU 53 -12.049 8.234 10.543 394 HG3 GLU 53 2HG GLU 53 -13.130 9.402 9.786 395 H TYR 54 H TYR 54 -13.740 4.575 11.578 396 HA TYR 54 HA TYR 54 -16.356 3.709 11.081 397 HB2 TYR 54 1HB TYR 54 -14.616 2.875 12.818 398 HB3 TYR 54 2HB TYR 54 -15.303 4.111 13.866 399 HD1 TYR 54 HD1 TYR 54 -16.429 1.305 11.666 400 HD2 TYR 54 HD2 TYR 54 -17.036 3.498 15.261 401 HE1 TYR 54 HE1 TYR 54 -18.231 -0.243 12.298 402 HE2 TYR 54 HE2 TYR 54 -18.841 1.956 15.904 403 HH TYR 54 HH TYR 54 -19.290 -0.815 15.028 Start of MODEL 17 1 H1 ASP 2 H ASP 2 -16.330 6.961 1.804 2 HA ASP 2 HA ASP 2 -16.800 7.484 4.666 3 HB2 ASP 2 1HB ASP 2 -17.092 4.874 3.162 4 HB3 ASP 2 2HB ASP 2 -17.293 5.073 4.902 5 H CYS 3 H CYS 3 -14.769 5.850 2.290 6 HA CYS 3 HA CYS 3 -12.646 5.693 4.328 7 HB2 CYS 3 1HB CYS 3 -12.846 3.786 2.007 8 HB3 CYS 3 2HB CYS 3 -11.907 3.618 3.486 9 H LYS 4 H LYS 4 -10.427 5.419 3.195 10 HA LYS 4 HA LYS 4 -10.291 7.085 0.780 11 HB2 LYS 4 1HB LYS 4 -8.233 7.459 2.914 12 HB3 LYS 4 2HB LYS 4 -8.766 8.580 1.667 13 HG2 LYS 4 1HG LYS 4 -11.031 8.391 3.083 14 HG3 LYS 4 2HG LYS 4 -9.855 8.079 4.362 15 HD2 LYS 4 1HD LYS 4 -8.801 10.160 4.043 16 HD3 LYS 4 2HD LYS 4 -9.591 10.413 2.484 17 HE2 LYS 4 1HE LYS 4 -11.655 10.886 3.482 18 HE3 LYS 4 2HE LYS 4 -11.174 10.178 5.023 19 HZ1 LYS 4 3HZ LYS 4 -9.517 12.021 5.194 20 HZ2 LYS 4 1HZ LYS 4 -11.133 12.516 5.275 21 HZ3 LYS 4 2HZ LYS 4 -10.251 12.739 3.849 22 H ARG 5 H ARG 5 -8.407 6.784 -0.500 23 HA ARG 5 HA ARG 5 -6.611 4.607 0.227 24 HB2 ARG 5 1HB ARG 5 -6.968 3.482 -1.962 25 HB3 ARG 5 2HB ARG 5 -8.375 3.419 -0.908 26 HG2 ARG 5 1HG ARG 5 -9.608 4.815 -2.236 27 HG3 ARG 5 2HG ARG 5 -8.184 5.621 -2.898 28 HD2 ARG 5 1HD ARG 5 -7.782 3.937 -4.430 29 HD3 ARG 5 2HD ARG 5 -8.665 2.734 -3.492 30 HE ARG 5 HE ARG 5 -10.568 3.337 -4.600 31 HH11 ARG 5 1HH1 ARG 5 -8.213 5.877 -4.950 32 HH12 ARG 5 2HH1 ARG 5 -9.172 6.790 -6.067 33 HH21 ARG 5 1HH2 ARG 5 -11.840 4.530 -6.069 34 HH22 ARG 5 2HH2 ARG 5 -11.235 6.023 -6.703 35 H LYS 6 H LYS 6 -4.597 4.815 -0.624 36 HA LYS 6 HA LYS 6 -4.096 6.560 -2.876 37 HB2 LYS 6 1HB LYS 6 -4.141 8.226 -1.153 38 HB3 LYS 6 2HB LYS 6 -3.141 7.241 -0.093 39 HG2 LYS 6 1HG LYS 6 -1.209 7.717 -1.247 40 HG3 LYS 6 2HG LYS 6 -2.069 8.095 -2.742 41 HD2 LYS 6 1HD LYS 6 -2.358 9.792 -0.281 42 HD3 LYS 6 2HD LYS 6 -1.041 10.041 -1.429 43 HE2 LYS 6 1HE LYS 6 -2.923 10.095 -3.204 44 HE3 LYS 6 2HE LYS 6 -3.991 10.374 -1.830 45 HZ1 LYS 6 3HZ LYS 6 -2.691 12.303 -3.177 46 HZ2 LYS 6 1HZ LYS 6 -1.647 12.053 -1.870 47 HZ3 LYS 6 2HZ LYS 6 -3.265 12.460 -1.594 48 H VAL 7 H VAL 7 -2.081 6.233 -3.823 49 HA VAL 7 HA VAL 7 -0.638 3.877 -2.817 50 HB VAL 7 HB VAL 7 -1.503 3.578 -5.057 51 HG11 VAL 7 1HG1 VAL 7 -0.784 5.000 -6.917 52 HG12 VAL 7 2HG1 VAL 7 -1.683 5.920 -5.708 53 HG13 VAL 7 3HG1 VAL 7 0.075 6.043 -5.785 54 HG21 VAL 7 3HG2 VAL 7 0.590 3.067 -6.245 55 HG22 VAL 7 1HG2 VAL 7 1.482 4.014 -5.055 56 HG23 VAL 7 2HG2 VAL 7 0.638 2.546 -4.561 57 H TYR 8 H TYR 8 1.495 3.957 -2.339 58 HA TYR 8 HA TYR 8 2.753 6.603 -2.381 59 HB2 TYR 8 1HB TYR 8 2.524 4.962 -0.302 60 HB3 TYR 8 2HB TYR 8 4.001 4.286 -0.978 61 HD1 TYR 8 HD1 TYR 8 2.715 7.776 -0.563 62 HD2 TYR 8 HD2 TYR 8 5.842 4.995 0.209 63 HE1 TYR 8 HE1 TYR 8 4.020 9.554 0.525 64 HE2 TYR 8 HE2 TYR 8 7.155 6.765 1.300 65 HH TYR 8 HH TYR 8 7.164 8.873 2.021 66 H GLU 9 H GLU 9 3.403 6.639 -4.553 67 HA GLU 9 HA GLU 9 4.760 4.642 -5.926 68 HB2 GLU 9 1HB GLU 9 5.562 6.406 -7.411 69 HB3 GLU 9 2HB GLU 9 3.870 6.655 -7.006 70 HG2 GLU 9 1HG GLU 9 4.578 8.305 -5.294 71 HG3 GLU 9 2HG GLU 9 6.235 8.119 -5.863 72 H ASN 10 H ASN 10 5.931 6.965 -3.588 73 HA ASN 10 HA ASN 10 8.679 6.774 -4.072 74 HB2 ASN 10 1HB ASN 10 7.791 8.492 -2.616 75 HB3 ASN 10 2HB ASN 10 7.189 7.279 -1.489 76 HD21 ASN 10 2HD2 ASN 10 8.371 8.212 0.192 77 HD22 ASN 10 1HD2 ASN 10 10.081 8.002 0.324 78 H TYR 11 H TYR 11 6.475 4.573 -2.565 79 HA TYR 11 HA TYR 11 8.372 3.063 -1.086 80 HB2 TYR 11 1HB TYR 11 5.660 3.120 -1.174 81 HB3 TYR 11 2HB TYR 11 5.978 1.657 -2.098 82 HD1 TYR 11 HD2 TYR 11 7.322 3.236 1.020 83 HD2 TYR 11 HD1 TYR 11 5.856 -0.282 -0.871 84 HE1 TYR 11 HE2 TYR 11 7.635 1.987 3.116 85 HE2 TYR 11 HE1 TYR 11 6.163 -1.541 1.220 86 HH TYR 11 HH TYR 11 7.862 -0.219 3.928 87 HA PRO 12 HA PRO 12 10.337 0.841 -4.351 88 HB2 PRO 12 1HB PRO 12 11.386 -1.173 -2.864 89 HB3 PRO 12 2HB PRO 12 12.040 0.468 -2.856 90 HG2 PRO 12 1HG PRO 12 10.204 -0.850 -0.892 91 HG3 PRO 12 2HG PRO 12 11.606 0.192 -0.588 92 HD2 PRO 12 1HD PRO 12 9.058 1.103 -0.466 93 HD3 PRO 12 2HD PRO 12 10.415 2.124 -0.987 94 H VAL 13 H VAL 13 9.754 -0.726 -5.749 95 HA VAL 13 HA VAL 13 7.343 -2.161 -5.368 96 HB VAL 13 HB VAL 13 9.463 -2.679 -7.456 97 HG11 VAL 13 1HG1 VAL 13 7.996 -4.463 -7.602 98 HG12 VAL 13 2HG1 VAL 13 6.601 -3.488 -7.135 99 HG13 VAL 13 3HG1 VAL 13 7.301 -3.314 -8.744 100 HG21 VAL 13 3HG2 VAL 13 8.982 -0.705 -8.353 101 HG22 VAL 13 1HG2 VAL 13 7.290 -1.184 -8.487 102 HG23 VAL 13 2HG2 VAL 13 7.862 -0.365 -7.033 103 H SER 14 H SER 14 10.547 -2.805 -4.437 104 HA SER 14 HA SER 14 10.524 -5.640 -4.571 105 HB2 SER 14 1HB SER 14 12.222 -3.579 -3.244 106 HB3 SER 14 2HB SER 14 12.335 -5.240 -2.661 107 HG SER 14 HG SER 14 13.327 -4.144 -4.928 108 H LYS 15 H LYS 15 9.550 -3.304 -2.133 109 HA LYS 15 HA LYS 15 9.175 -5.144 -0.015 110 HB2 LYS 15 1HB LYS 15 8.395 -2.334 -0.577 111 HB3 LYS 15 2HB LYS 15 7.459 -3.186 0.644 112 HG2 LYS 15 1HG LYS 15 9.343 -1.885 1.570 113 HG3 LYS 15 2HG LYS 15 9.430 -3.607 1.945 114 HD2 LYS 15 1HD LYS 15 11.281 -3.929 0.673 115 HD3 LYS 15 2HD LYS 15 10.800 -2.722 -0.522 116 HE2 LYS 15 1HE LYS 15 12.757 -1.935 0.629 117 HE3 LYS 15 2HE LYS 15 11.379 -0.948 1.114 118 HZ1 LYS 15 3HZ LYS 15 12.179 -3.281 2.727 119 HZ2 LYS 15 1HZ LYS 15 11.319 -1.905 3.200 120 HZ3 LYS 15 2HZ LYS 15 12.981 -1.804 2.908 121 H CYS 16 H CYS 16 7.251 -4.252 -2.760 122 HA CYS 16 HA CYS 16 4.695 -4.916 -1.955 123 HB2 CYS 16 1HB CYS 16 5.129 -3.944 -4.135 124 HB3 CYS 16 2HB CYS 16 6.016 -5.381 -4.635 125 H GLN 17 H GLN 17 7.382 -7.011 -2.728 126 HA GLN 17 HA GLN 17 6.056 -9.424 -3.122 127 HB2 GLN 17 1HB GLN 17 8.123 -10.500 -2.682 128 HB3 GLN 17 2HB GLN 17 8.526 -8.951 -3.412 129 HG2 GLN 17 1HG GLN 17 8.743 -8.125 -0.975 130 HG3 GLN 17 2HG GLN 17 8.844 -9.840 -0.579 131 HE21 GLN 17 2HE2 GLN 17 10.950 -8.441 0.103 132 HE22 GLN 17 1HE2 GLN 17 12.278 -8.691 -0.972 133 H LEU 18 H LEU 18 6.627 -7.625 -0.211 134 HA LEU 18 HA LEU 18 5.679 -9.866 1.431 135 HB2 LEU 18 1HB LEU 18 6.874 -7.226 2.264 136 HB3 LEU 18 2HB LEU 18 6.427 -8.543 3.346 137 HG LEU 18 HG LEU 18 8.507 -8.870 1.197 138 HD11 LEU 18 1HD1 LEU 18 10.095 -8.607 3.212 139 HD12 LEU 18 2HD1 LEU 18 8.763 -7.717 3.948 140 HD13 LEU 18 3HD1 LEU 18 9.466 -7.157 2.430 141 HD21 LEU 18 3HD2 LEU 18 8.389 -10.980 1.887 142 HD22 LEU 18 1HD2 LEU 18 7.304 -10.552 3.211 143 HD23 LEU 18 2HD2 LEU 18 9.051 -10.442 3.431 144 H ALA 19 H ALA 19 3.756 -9.828 2.456 145 HA ALA 19 HA ALA 19 1.933 -7.653 1.795 146 HB1 ALA 19 3HB ALA 19 1.652 -10.480 2.575 147 HB2 ALA 19 1HB ALA 19 0.397 -9.390 3.162 148 HB3 ALA 19 2HB ALA 19 0.717 -9.516 1.432 149 H ASN 20 H ASN 20 3.546 -9.063 4.560 150 HA ASN 20 HA ASN 20 2.013 -7.601 6.504 151 HB2 ASN 20 1HB ASN 20 3.570 -8.515 8.135 152 HB3 ASN 20 2HB ASN 20 3.063 -9.784 7.025 153 HD21 ASN 20 2HD2 ASN 20 4.558 -10.856 5.886 154 HD22 ASN 20 1HD2 ASN 20 6.249 -10.501 5.903 155 H GLN 21 H GLN 21 4.738 -6.964 4.527 156 HA GLN 21 HA GLN 21 5.877 -4.922 6.203 157 HB2 GLN 21 1HB GLN 21 7.296 -6.178 4.665 158 HB3 GLN 21 2HB GLN 21 6.357 -5.599 3.296 159 HG2 GLN 21 1HG GLN 21 7.862 -3.981 3.118 160 HG3 GLN 21 2HG GLN 21 7.126 -3.279 4.558 161 HE21 GLN 21 2HE2 GLN 21 9.033 -2.371 5.273 162 HE22 GLN 21 1HE2 GLN 21 10.334 -3.314 5.907 163 H CYS 22 H CYS 22 3.825 -5.020 3.323 164 HA CYS 22 HA CYS 22 3.729 -2.251 2.852 165 HB2 CYS 22 1HB CYS 22 2.372 -4.627 1.886 166 HB3 CYS 22 2HB CYS 22 1.260 -3.269 2.031 167 H ASN 23 H ASN 23 1.203 -4.300 4.326 168 HA ASN 23 HA ASN 23 -0.432 -2.249 5.227 169 HB2 ASN 23 1HB ASN 23 -1.608 -3.866 6.386 170 HB3 ASN 23 2HB ASN 23 -0.741 -4.863 5.223 171 HD21 ASN 23 2HD2 ASN 23 -1.662 -4.776 8.295 172 HD22 ASN 23 1HD2 ASN 23 -0.382 -5.664 9.042 173 H TYR 24 H TYR 24 2.498 -3.549 6.605 174 HA TYR 24 HA TYR 24 2.223 -2.462 9.202 175 HB2 TYR 24 1HB TYR 24 3.818 -4.204 8.892 176 HB3 TYR 24 2HB TYR 24 4.630 -3.327 7.600 177 HD1 TYR 24 HD1 TYR 24 3.702 -2.732 11.179 178 HD2 TYR 24 HD2 TYR 24 6.669 -2.414 8.146 179 HE1 TYR 24 HE1 TYR 24 5.269 -1.781 12.819 180 HE2 TYR 24 HE2 TYR 24 8.244 -1.465 9.778 181 HH TYR 24 HH TYR 24 8.615 -1.027 11.940 182 H ASP 25 H ASP 25 3.981 -1.307 6.332 183 HA ASP 25 HA ASP 25 4.819 1.127 7.534 184 HB2 ASP 25 1HB ASP 25 5.001 -0.143 4.903 185 HB3 ASP 25 2HB ASP 25 4.841 1.609 4.819 186 H CYS 26 H CYS 26 1.973 0.135 5.776 187 HA CYS 26 HA CYS 26 1.005 2.775 5.257 188 HB2 CYS 26 1HB CYS 26 -0.250 0.039 5.153 189 HB3 CYS 26 2HB CYS 26 -1.191 1.498 4.863 190 H LYS 27 H LYS 27 0.044 0.241 7.571 191 HA LYS 27 HA LYS 27 -1.817 1.866 8.956 192 HB2 LYS 27 1HB LYS 27 -0.356 -0.611 9.892 193 HB3 LYS 27 2HB LYS 27 -1.762 0.101 10.674 194 HG2 LYS 27 1HG LYS 27 -3.206 -0.617 9.047 195 HG3 LYS 27 2HG LYS 27 -1.952 -0.672 7.806 196 HD2 LYS 27 1HD LYS 27 -2.414 -2.921 8.261 197 HD3 LYS 27 2HD LYS 27 -0.944 -2.588 9.179 198 HE2 LYS 27 1HE LYS 27 -2.500 -3.858 10.532 199 HE3 LYS 27 2HE LYS 27 -2.307 -2.236 11.195 200 HZ1 LYS 27 3HZ LYS 27 -4.540 -2.981 9.394 201 HZ2 LYS 27 1HZ LYS 27 -4.395 -1.590 10.346 202 HZ3 LYS 27 2HZ LYS 27 -4.643 -3.093 11.080 203 H LEU 28 H LEU 28 1.544 1.900 8.894 204 HA LEU 28 HA LEU 28 1.980 2.720 11.617 205 HB2 LEU 28 1HB LEU 28 3.732 1.562 10.427 206 HB3 LEU 28 2HB LEU 28 3.750 2.805 9.178 207 HG LEU 28 HG LEU 28 5.611 2.762 10.988 208 HD11 LEU 28 1HD1 LEU 28 4.454 5.474 10.785 209 HD12 LEU 28 2HD1 LEU 28 4.760 4.626 9.269 210 HD13 LEU 28 3HD1 LEU 28 6.079 4.897 10.409 211 HD21 LEU 28 3HD2 LEU 28 3.685 4.469 12.509 212 HD22 LEU 28 1HD2 LEU 28 5.185 3.713 13.049 213 HD23 LEU 28 2HD2 LEU 28 3.743 2.728 12.794 214 H ASP 29 H ASP 29 2.460 4.403 8.505 215 HA ASP 29 HA ASP 29 2.180 6.963 9.887 216 HB2 ASP 29 1HB ASP 29 3.323 6.082 7.277 217 HB3 ASP 29 2HB ASP 29 2.712 7.730 7.395 218 H LYS 30 H LYS 30 0.844 5.315 7.025 219 HA LYS 30 HA LYS 30 -1.205 7.247 6.610 220 HB2 LYS 30 1HB LYS 30 -1.307 4.406 5.628 221 HB3 LYS 30 2HB LYS 30 -1.977 5.847 4.875 222 HG2 LYS 30 1HG LYS 30 0.929 5.100 5.096 223 HG3 LYS 30 2HG LYS 30 -0.059 5.141 3.633 224 HD2 LYS 30 1HD LYS 30 0.646 7.520 5.353 225 HD3 LYS 30 2HD LYS 30 1.387 7.113 3.803 226 HE2 LYS 30 1HE LYS 30 -1.531 7.741 4.244 227 HE3 LYS 30 2HE LYS 30 -0.334 8.853 3.582 228 HZ1 LYS 30 3HZ LYS 30 -1.060 6.249 2.357 229 HZ2 LYS 30 1HZ LYS 30 -0.035 7.424 1.701 230 HZ3 LYS 30 2HZ LYS 30 -1.687 7.742 1.871 231 H HIS 31 H HIS 31 -0.822 4.868 8.928 232 HA HIS 31 HA HIS 31 -2.204 3.838 10.422 233 HB2 HIS 31 1HB HIS 31 -3.706 6.396 9.867 234 HB3 HIS 31 2HB HIS 31 -4.208 5.250 11.105 235 HD1 HIS 31 HD1 HIS 31 -2.427 8.261 10.834 236 HD2 HIS 31 HD2 HIS 31 -1.756 4.714 12.891 237 HE1 HIS 31 HE1 HIS 31 -0.812 8.845 12.671 238 H ALA 32 H ALA 32 -2.571 3.213 7.565 239 HA ALA 32 HA ALA 32 -5.273 2.938 6.882 240 HB1 ALA 32 3HB ALA 32 -3.298 0.885 6.012 241 HB2 ALA 32 1HB ALA 32 -4.562 1.697 5.089 242 HB3 ALA 32 2HB ALA 32 -3.078 2.558 5.500 243 H ARG 33 H ARG 33 -5.692 0.270 6.305 244 HA ARG 33 HA ARG 33 -5.696 -1.051 8.931 245 HB2 ARG 33 1HB ARG 33 -7.998 -1.813 8.534 246 HB3 ARG 33 2HB ARG 33 -7.898 -0.058 8.605 247 HG2 ARG 33 1HG ARG 33 -7.625 -0.433 5.955 248 HG3 ARG 33 2HG ARG 33 -8.627 -1.827 6.370 249 HD2 ARG 33 1HD ARG 33 -9.908 0.087 7.754 250 HD3 ARG 33 2HD ARG 33 -9.257 1.059 6.434 251 HE ARG 33 HE ARG 33 -10.814 0.122 5.063 252 HH11 ARG 33 1HH1 ARG 33 -10.356 -1.973 7.806 253 HH12 ARG 33 2HH1 ARG 33 -11.613 -3.071 7.341 254 HH21 ARG 33 1HH2 ARG 33 -12.470 -1.318 4.440 255 HH22 ARG 33 2HH2 ARG 33 -12.814 -2.699 5.427 256 H SER 34 H SER 34 -6.010 -1.382 5.430 257 HA SER 34 HA SER 34 -4.901 -4.096 5.666 258 HB2 SER 34 1HB SER 34 -7.341 -4.203 5.182 259 HB3 SER 34 2HB SER 34 -7.060 -3.276 3.709 260 HG SER 34 HG SER 34 -6.888 -5.881 4.017 261 H GLY 35 H GLY 35 -3.435 -1.738 5.209 262 HA2 GLY 35 1HA GLY 35 -2.960 -0.979 2.604 263 HA3 GLY 35 2HA GLY 35 -1.718 -1.042 3.846 264 H GLU 36 H GLU 36 -2.403 -2.037 0.832 265 HA GLU 36 HA GLU 36 -0.390 -4.118 0.937 266 HB2 GLU 36 1HB GLU 36 -2.841 -5.063 1.252 267 HB3 GLU 36 2HB GLU 36 -2.901 -4.865 -0.494 268 HG2 GLU 36 1HG GLU 36 -1.215 -6.427 -0.854 269 HG3 GLU 36 2HG GLU 36 -0.654 -6.343 0.815 270 H CYS 37 H CYS 37 0.136 -4.910 -1.312 271 HA CYS 37 HA CYS 37 -0.009 -2.630 -3.158 272 HB2 CYS 37 1HB CYS 37 2.022 -3.409 -4.139 273 HB3 CYS 37 2HB CYS 37 2.242 -3.485 -2.393 274 H PHE 38 H PHE 38 -0.453 -2.953 -5.368 275 HA PHE 38 HA PHE 38 -1.188 -5.526 -6.387 276 HB2 PHE 38 1HB PHE 38 -3.269 -3.666 -5.374 277 HB3 PHE 38 2HB PHE 38 -3.589 -4.445 -6.920 278 HD1 PHE 38 HD1 PHE 38 -2.849 -7.086 -6.816 279 HD2 PHE 38 HD2 PHE 38 -4.229 -4.694 -3.578 280 HE1 PHE 38 HE1 PHE 38 -3.593 -9.114 -5.640 281 HE2 PHE 38 HE2 PHE 38 -4.975 -6.719 -2.396 282 HZ PHE 38 HZ PHE 38 -4.656 -8.933 -3.426 283 H TYR 39 H TYR 39 -2.029 -5.366 -8.642 284 HA TYR 39 HA TYR 39 -0.415 -3.618 -10.160 285 HB2 TYR 39 1HB TYR 39 -1.629 -4.526 -12.110 286 HB3 TYR 39 2HB TYR 39 -1.086 -5.796 -11.019 287 HD1 TYR 39 HD2 TYR 39 -4.016 -3.950 -12.261 288 HD2 TYR 39 HD1 TYR 39 -2.660 -7.173 -9.836 289 HE1 TYR 39 HE2 TYR 39 -6.314 -4.818 -12.138 290 HE2 TYR 39 HE1 TYR 39 -4.954 -8.050 -9.709 291 HH TYR 39 HH TYR 39 -7.036 -7.935 -10.869 292 H ASP 40 H ASP 40 -0.846 -1.741 -11.215 293 HA ASP 40 HA ASP 40 -3.294 -0.350 -10.435 294 HB2 ASP 40 1HB ASP 40 -0.720 0.502 -10.455 295 HB3 ASP 40 2HB ASP 40 -1.257 1.079 -12.030 296 H GLU 41 H GLU 41 -3.775 1.424 -12.343 297 HA GLU 41 HA GLU 41 -5.082 -0.077 -14.350 298 HB2 GLU 41 1HB GLU 41 -5.845 2.005 -15.213 299 HB3 GLU 41 2HB GLU 41 -5.794 2.172 -13.463 300 HG2 GLU 41 1HG GLU 41 -3.559 3.272 -13.727 301 HG3 GLU 41 2HG GLU 41 -3.844 3.273 -15.467 302 H LYS 42 H LYS 42 -1.927 1.280 -14.129 303 HA LYS 42 HA LYS 42 -1.491 0.964 -17.014 304 HB2 LYS 42 1HB LYS 42 0.234 2.277 -14.906 305 HB3 LYS 42 2HB LYS 42 0.628 2.180 -16.617 306 HG2 LYS 42 1HG LYS 42 -1.853 3.518 -15.571 307 HG3 LYS 42 2HG LYS 42 -0.328 4.365 -15.840 308 HD2 LYS 42 1HD LYS 42 -0.397 3.595 -18.210 309 HD3 LYS 42 2HD LYS 42 -2.002 2.929 -17.898 310 HE2 LYS 42 1HE LYS 42 -1.436 5.791 -17.256 311 HE3 LYS 42 2HE LYS 42 -1.736 5.318 -18.927 312 HZ1 LYS 42 3HZ LYS 42 -3.826 5.854 -18.146 313 HZ2 LYS 42 1HZ LYS 42 -3.556 5.189 -16.613 314 HZ3 LYS 42 2HZ LYS 42 -3.801 4.175 -17.944 315 H ARG 43 H ARG 43 -1.727 -1.258 -15.066 316 HA ARG 43 HA ARG 43 -0.735 -3.248 -14.586 317 HB2 ARG 43 1HB ARG 43 0.614 -2.401 -17.118 318 HB3 ARG 43 2HB ARG 43 1.199 -3.829 -16.275 319 HG2 ARG 43 1HG ARG 43 -1.689 -3.485 -17.013 320 HG3 ARG 43 2HG ARG 43 -0.505 -4.184 -18.120 321 HD2 ARG 43 1HD ARG 43 0.069 -5.769 -16.187 322 HD3 ARG 43 2HD ARG 43 -1.446 -5.226 -15.467 323 HE ARG 43 HE ARG 43 -1.947 -6.022 -18.104 324 HH11 ARG 43 1HH1 ARG 43 -1.024 -7.394 -15.040 325 HH12 ARG 43 2HH1 ARG 43 -1.741 -8.937 -15.367 326 HH21 ARG 43 1HH2 ARG 43 -2.895 -8.049 -18.546 327 HH22 ARG 43 2HH2 ARG 43 -2.805 -9.309 -17.362 328 H ASN 44 H ASN 44 0.314 -0.752 -13.376 329 HA ASN 44 HA ASN 44 3.108 -1.501 -12.883 330 HB2 ASN 44 1HB ASN 44 1.577 1.043 -12.319 331 HB3 ASN 44 2HB ASN 44 3.224 0.757 -11.764 332 HD21 ASN 44 2HD2 ASN 44 2.534 2.873 -13.414 333 HD22 ASN 44 1HD2 ASN 44 3.273 2.641 -14.958 334 H LEU 45 H LEU 45 3.675 -2.468 -11.049 335 HA LEU 45 HA LEU 45 1.680 -2.950 -9.012 336 HB2 LEU 45 1HB LEU 45 4.555 -3.777 -8.842 337 HB3 LEU 45 2HB LEU 45 3.137 -4.555 -8.142 338 HG LEU 45 HG LEU 45 3.818 -4.505 -11.081 339 HD11 LEU 45 1HD1 LEU 45 5.410 -5.852 -9.843 340 HD12 LEU 45 2HD1 LEU 45 4.326 -6.886 -10.773 341 HD13 LEU 45 3HD1 LEU 45 4.093 -6.702 -9.035 342 HD21 LEU 45 3HD2 LEU 45 2.057 -6.318 -11.122 343 HD22 LEU 45 1HD2 LEU 45 1.471 -4.674 -10.862 344 HD23 LEU 45 2HD2 LEU 45 1.604 -5.789 -9.502 345 H GLN 46 H GLN 46 1.388 -1.709 -7.293 346 HA GLN 46 HA GLN 46 3.679 -0.366 -6.072 347 HB2 GLN 46 1HB GLN 46 1.114 1.107 -6.680 348 HB3 GLN 46 2HB GLN 46 2.575 1.772 -5.964 349 HG2 GLN 46 1HG GLN 46 2.486 0.615 -8.735 350 HG3 GLN 46 2HG GLN 46 2.189 2.317 -8.383 351 HE21 GLN 46 2HE2 GLN 46 4.009 2.748 -9.747 352 HE22 GLN 46 1HE2 GLN 46 5.613 2.610 -9.119 353 H CYS 47 H CYS 47 3.137 0.530 -3.907 354 HA CYS 47 HA CYS 47 1.356 -1.324 -2.521 355 HB2 CYS 47 1HB CYS 47 3.741 -0.966 -1.778 356 HB3 CYS 47 2HB CYS 47 3.278 0.665 -1.304 357 H ILE 48 H ILE 48 -0.679 -0.682 -2.285 358 HA ILE 48 HA ILE 48 -1.233 2.175 -1.871 359 HB ILE 48 HB ILE 48 -3.202 0.005 -2.598 360 HG12 ILE 48 1HG1 ILE 48 -2.993 1.606 -4.802 361 HG13 ILE 48 2HG1 ILE 48 -1.329 1.590 -4.231 362 HG21 ILE 48 1HG2 ILE 48 -4.626 1.928 -3.242 363 HG22 ILE 48 2HG2 ILE 48 -4.253 1.883 -1.520 364 HG23 ILE 48 3HG2 ILE 48 -3.405 3.013 -2.575 365 HD11 ILE 48 3HD1 ILE 48 -2.934 -0.543 -5.448 366 HD12 ILE 48 1HD1 ILE 48 -1.195 -0.251 -5.499 367 HD13 ILE 48 2HD1 ILE 48 -1.919 -1.035 -4.093 368 H CYS 49 H CYS 49 -2.550 2.871 -0.183 369 HA CYS 49 HA CYS 49 -2.958 0.900 1.971 370 HB2 CYS 49 1HB CYS 49 -2.536 3.857 2.387 371 HB3 CYS 49 2HB CYS 49 -2.466 2.573 3.590 372 H ASP 50 H ASP 50 -4.920 0.785 2.930 373 HA ASP 50 HA ASP 50 -7.000 2.608 1.915 374 HB2 ASP 50 1HB ASP 50 -7.554 -0.121 3.053 375 HB3 ASP 50 2HB ASP 50 -8.565 0.856 1.991 376 H TYR 51 H TYR 51 -7.818 3.972 3.348 377 HA TYR 51 HA TYR 51 -7.635 3.286 6.206 378 HB2 TYR 51 1HB TYR 51 -6.332 5.290 5.416 379 HB3 TYR 51 2HB TYR 51 -7.866 6.055 5.017 380 HD1 TYR 51 HD2 TYR 51 -5.739 4.848 7.770 381 HD2 TYR 51 HD1 TYR 51 -9.279 6.963 6.727 382 HE1 TYR 51 HE2 TYR 51 -5.922 5.671 10.081 383 HE2 TYR 51 HE1 TYR 51 -9.471 7.793 9.034 384 HH TYR 51 HH TYR 51 -7.138 7.908 11.147 385 H CYS 52 H CYS 52 -9.485 2.839 7.180 386 HA CYS 52 HA CYS 52 -11.902 4.303 6.463 387 HB2 CYS 52 1HB CYS 52 -11.632 2.013 5.192 388 HB3 CYS 52 2HB CYS 52 -12.143 1.332 6.733 389 H GLU 53 H GLU 53 -13.002 4.877 8.224 390 HA GLU 53 HA GLU 53 -12.400 3.477 10.745 391 HB2 GLU 53 1HB GLU 53 -13.180 5.673 11.799 392 HB3 GLU 53 2HB GLU 53 -11.618 5.678 10.993 393 HG2 GLU 53 1HG GLU 53 -12.355 6.985 9.265 394 HG3 GLU 53 2HG GLU 53 -14.031 6.469 9.444 395 H TYR 54 H TYR 54 -14.003 2.071 11.106 396 HA TYR 54 HA TYR 54 -16.767 3.074 10.920 397 HB2 TYR 54 1HB TYR 54 -17.462 0.751 10.382 398 HB3 TYR 54 2HB TYR 54 -16.414 1.453 9.153 399 HD1 TYR 54 HD1 TYR 54 -16.684 -1.070 11.795 400 HD2 TYR 54 HD2 TYR 54 -14.166 0.608 8.804 401 HE1 TYR 54 HE1 TYR 54 -15.175 -3.003 11.989 402 HE2 TYR 54 HE2 TYR 54 -12.651 -1.321 8.988 403 HH TYR 54 HH TYR 54 -12.516 -3.486 9.773 Start of MODEL 18 1 H1 ASP 2 H ASP 2 -17.635 5.654 3.323 2 HA ASP 2 HA ASP 2 -16.164 4.788 0.926 3 HB2 ASP 2 1HB ASP 2 -16.614 7.670 1.722 4 HB3 ASP 2 2HB ASP 2 -15.785 7.088 0.280 5 H CYS 3 H CYS 3 -13.961 4.834 1.056 6 HA CYS 3 HA CYS 3 -12.811 5.723 3.620 7 HB2 CYS 3 1HB CYS 3 -11.739 3.430 1.980 8 HB3 CYS 3 2HB CYS 3 -11.340 3.855 3.641 9 H LYS 4 H LYS 4 -10.318 5.912 3.391 10 HA LYS 4 HA LYS 4 -9.778 7.432 0.927 11 HB2 LYS 4 1HB LYS 4 -9.627 8.980 2.662 12 HB3 LYS 4 2HB LYS 4 -8.917 7.815 3.772 13 HG2 LYS 4 1HG LYS 4 -7.302 9.503 3.073 14 HG3 LYS 4 2HG LYS 4 -6.823 7.888 2.547 15 HD2 LYS 4 1HD LYS 4 -7.772 8.379 0.315 16 HD3 LYS 4 2HD LYS 4 -8.128 10.020 0.858 17 HE2 LYS 4 1HE LYS 4 -5.354 8.900 1.037 18 HE3 LYS 4 2HE LYS 4 -5.956 9.590 -0.470 19 HZ1 LYS 4 3HZ LYS 4 -4.755 11.005 1.452 20 HZ2 LYS 4 1HZ LYS 4 -6.377 11.220 1.887 21 HZ3 LYS 4 2HZ LYS 4 -5.849 11.663 0.343 22 H ARG 5 H ARG 5 -8.501 6.394 -0.445 23 HA ARG 5 HA ARG 5 -6.327 4.730 0.647 24 HB2 ARG 5 1HB ARG 5 -6.539 3.351 -1.424 25 HB3 ARG 5 2HB ARG 5 -7.942 3.271 -0.368 26 HG2 ARG 5 1HG ARG 5 -9.270 4.486 -1.817 27 HG3 ARG 5 2HG ARG 5 -7.885 5.214 -2.635 28 HD2 ARG 5 1HD ARG 5 -8.734 3.641 -4.157 29 HD3 ARG 5 2HD ARG 5 -7.325 2.865 -3.435 30 HE ARG 5 HE ARG 5 -8.708 1.291 -2.507 31 HH11 ARG 5 1HH1 ARG 5 -10.614 3.985 -3.618 32 HH12 ARG 5 2HH1 ARG 5 -12.130 3.189 -3.353 33 HH21 ARG 5 1HH2 ARG 5 -10.697 0.234 -2.154 34 HH22 ARG 5 2HH2 ARG 5 -12.177 1.056 -2.519 35 H LYS 6 H LYS 6 -4.384 4.626 -0.618 36 HA LYS 6 HA LYS 6 -3.994 6.366 -2.857 37 HB2 LYS 6 1HB LYS 6 -3.983 8.016 -1.025 38 HB3 LYS 6 2HB LYS 6 -2.697 7.118 -0.230 39 HG2 LYS 6 1HG LYS 6 -1.100 7.893 -1.627 40 HG3 LYS 6 2HG LYS 6 -2.188 7.952 -3.015 41 HD2 LYS 6 1HD LYS 6 -1.578 10.200 -2.410 42 HD3 LYS 6 2HD LYS 6 -3.279 9.944 -2.011 43 HE2 LYS 6 1HE LYS 6 -2.696 9.586 0.322 44 HE3 LYS 6 2HE LYS 6 -0.984 9.760 -0.061 45 HZ1 LYS 6 3HZ LYS 6 -1.807 11.805 0.840 46 HZ2 LYS 6 1HZ LYS 6 -3.068 11.862 -0.287 47 HZ3 LYS 6 2HZ LYS 6 -1.468 12.045 -0.801 48 H VAL 7 H VAL 7 -2.066 5.971 -3.927 49 HA VAL 7 HA VAL 7 -0.574 3.643 -2.941 50 HB VAL 7 HB VAL 7 -1.541 3.329 -5.138 51 HG11 VAL 7 1HG1 VAL 7 0.043 5.156 -6.681 52 HG12 VAL 7 2HG1 VAL 7 -1.710 4.961 -6.636 53 HG13 VAL 7 3HG1 VAL 7 -0.913 6.042 -5.492 54 HG21 VAL 7 3HG2 VAL 7 1.447 3.732 -5.271 55 HG22 VAL 7 1HG2 VAL 7 0.609 2.280 -4.722 56 HG23 VAL 7 2HG2 VAL 7 0.494 2.780 -6.409 57 H TYR 8 H TYR 8 1.521 3.768 -2.410 58 HA TYR 8 HA TYR 8 2.836 6.374 -2.674 59 HB2 TYR 8 1HB TYR 8 2.567 4.899 -0.466 60 HB3 TYR 8 2HB TYR 8 4.053 4.178 -1.074 61 HD1 TYR 8 HD1 TYR 8 2.657 7.637 -0.729 62 HD2 TYR 8 HD2 TYR 8 5.973 5.035 -0.146 63 HE1 TYR 8 HE1 TYR 8 3.945 9.502 0.227 64 HE2 TYR 8 HE2 TYR 8 7.270 6.892 0.812 65 HH TYR 8 HH TYR 8 5.880 9.796 1.779 66 H GLU 9 H GLU 9 3.365 6.080 -4.909 67 HA GLU 9 HA GLU 9 4.881 3.914 -5.887 68 HB2 GLU 9 1HB GLU 9 5.281 5.279 -7.838 69 HB3 GLU 9 2HB GLU 9 3.617 5.501 -7.315 70 HG2 GLU 9 1HG GLU 9 4.322 7.593 -6.172 71 HG3 GLU 9 2HG GLU 9 5.920 7.388 -6.887 72 H ASN 10 H ASN 10 5.727 6.534 -3.890 73 HA ASN 10 HA ASN 10 8.432 6.886 -4.639 74 HB2 ASN 10 1HB ASN 10 6.726 7.644 -2.339 75 HB3 ASN 10 2HB ASN 10 8.458 7.582 -2.030 76 HD21 ASN 10 2HD2 ASN 10 9.483 9.410 -2.337 77 HD22 ASN 10 1HD2 ASN 10 9.024 10.670 -3.427 78 H TYR 11 H TYR 11 6.792 4.506 -2.730 79 HA TYR 11 HA TYR 11 9.145 3.542 -1.392 80 HB2 TYR 11 1HB TYR 11 6.306 3.052 -1.283 81 HB3 TYR 11 2HB TYR 11 7.180 1.526 -1.369 82 HD1 TYR 11 HD2 TYR 11 8.151 4.721 0.284 83 HD2 TYR 11 HD1 TYR 11 7.060 0.639 0.780 84 HE1 TYR 11 HE2 TYR 11 8.659 4.883 2.685 85 HE2 TYR 11 HE1 TYR 11 7.563 0.790 3.183 86 HH TYR 11 HH TYR 11 9.262 3.387 4.544 87 HA PRO 12 HA PRO 12 10.733 0.819 -4.448 88 HB2 PRO 12 1HB PRO 12 11.750 -1.158 -2.890 89 HB3 PRO 12 2HB PRO 12 12.490 0.441 -3.017 90 HG2 PRO 12 1HG PRO 12 10.692 -0.650 -0.886 91 HG3 PRO 12 2HG PRO 12 12.162 0.329 -0.718 92 HD2 PRO 12 1HD PRO 12 9.677 1.388 -0.529 93 HD3 PRO 12 2HD PRO 12 11.056 2.297 -1.180 94 H VAL 13 H VAL 13 9.976 -0.777 -5.719 95 HA VAL 13 HA VAL 13 7.529 -2.068 -5.098 96 HB VAL 13 HB VAL 13 9.475 -2.704 -7.320 97 HG11 VAL 13 1HG1 VAL 13 7.985 -4.525 -7.119 98 HG12 VAL 13 2HG1 VAL 13 6.603 -3.461 -6.846 99 HG13 VAL 13 3HG1 VAL 13 7.360 -3.535 -8.438 100 HG21 VAL 13 3HG2 VAL 13 7.206 -1.306 -8.255 101 HG22 VAL 13 1HG2 VAL 13 7.833 -0.415 -6.869 102 HG23 VAL 13 2HG2 VAL 13 8.885 -0.770 -8.240 103 H SER 14 H SER 14 10.851 -2.928 -4.666 104 HA SER 14 HA SER 14 10.713 -5.707 -4.612 105 HB2 SER 14 1HB SER 14 12.467 -3.713 -3.203 106 HB3 SER 14 2HB SER 14 12.628 -5.437 -2.871 107 HG SER 14 HG SER 14 13.258 -3.995 -5.161 108 H LYS 15 H LYS 15 9.672 -3.345 -2.271 109 HA LYS 15 HA LYS 15 9.400 -5.140 -0.076 110 HB2 LYS 15 1HB LYS 15 8.667 -2.339 -0.674 111 HB3 LYS 15 2HB LYS 15 7.656 -3.149 0.517 112 HG2 LYS 15 1HG LYS 15 9.524 -1.901 1.522 113 HG3 LYS 15 2HG LYS 15 9.571 -3.626 1.893 114 HD2 LYS 15 1HD LYS 15 11.392 -4.005 0.515 115 HD3 LYS 15 2HD LYS 15 11.082 -2.566 -0.460 116 HE2 LYS 15 1HE LYS 15 12.959 -1.994 0.802 117 HE3 LYS 15 2HE LYS 15 11.620 -1.247 1.673 118 HZ1 LYS 15 3HZ LYS 15 11.636 -3.048 3.241 119 HZ2 LYS 15 1HZ LYS 15 13.197 -2.403 3.138 120 HZ3 LYS 15 2HZ LYS 15 12.833 -3.866 2.370 121 H CYS 16 H CYS 16 7.445 -4.344 -2.819 122 HA CYS 16 HA CYS 16 4.896 -4.976 -1.971 123 HB2 CYS 16 1HB CYS 16 5.387 -4.095 -4.204 124 HB3 CYS 16 2HB CYS 16 6.162 -5.612 -4.644 125 H GLN 17 H GLN 17 7.566 -7.109 -2.727 126 HA GLN 17 HA GLN 17 6.244 -9.532 -2.999 127 HB2 GLN 17 1HB GLN 17 8.892 -9.116 -1.608 128 HB3 GLN 17 2HB GLN 17 8.327 -10.594 -2.372 129 HG2 GLN 17 1HG GLN 17 8.294 -9.379 -4.543 130 HG3 GLN 17 2HG GLN 17 9.039 -8.006 -3.727 131 HE21 GLN 17 2HE2 GLN 17 9.510 -11.518 -3.977 132 HE22 GLN 17 1HE2 GLN 17 11.222 -11.444 -4.188 133 H LEU 18 H LEU 18 6.783 -7.609 -0.171 134 HA LEU 18 HA LEU 18 5.851 -9.788 1.562 135 HB2 LEU 18 1HB LEU 18 7.052 -7.120 2.286 136 HB3 LEU 18 2HB LEU 18 6.597 -8.387 3.424 137 HG LEU 18 HG LEU 18 8.675 -8.824 1.295 138 HD11 LEU 18 1HD1 LEU 18 8.937 -7.517 3.972 139 HD12 LEU 18 2HD1 LEU 18 9.656 -7.061 2.428 140 HD13 LEU 18 3HD1 LEU 18 10.264 -8.467 3.302 141 HD21 LEU 18 3HD2 LEU 18 8.918 -10.187 3.850 142 HD22 LEU 18 1HD2 LEU 18 8.928 -10.840 2.212 143 HD23 LEU 18 2HD2 LEU 18 7.395 -10.542 3.032 144 H ALA 19 H ALA 19 3.877 -9.762 2.441 145 HA ALA 19 HA ALA 19 2.050 -7.648 1.706 146 HB1 ALA 19 3HB ALA 19 0.925 -9.615 1.526 147 HB2 ALA 19 1HB ALA 19 1.809 -10.370 2.852 148 HB3 ALA 19 2HB ALA 19 0.513 -9.225 3.196 149 H ASN 20 H ASN 20 3.214 -9.087 4.749 150 HA ASN 20 HA ASN 20 1.846 -7.395 6.499 151 HB2 ASN 20 1HB ASN 20 3.724 -7.982 8.114 152 HB3 ASN 20 2HB ASN 20 2.854 -9.343 7.410 153 HD21 ASN 20 2HD2 ASN 20 5.855 -7.706 7.683 154 HD22 ASN 20 1HD2 ASN 20 6.802 -8.826 6.770 155 H GLN 21 H GLN 21 4.890 -6.973 4.798 156 HA GLN 21 HA GLN 21 5.836 -4.724 6.184 157 HB2 GLN 21 1HB GLN 21 7.316 -5.908 4.723 158 HB3 GLN 21 2HB GLN 21 6.262 -5.641 3.341 159 HG2 GLN 21 1HG GLN 21 8.161 -4.188 3.186 160 HG3 GLN 21 2HG GLN 21 6.717 -3.226 3.495 161 HE21 GLN 21 2HE2 GLN 21 9.300 -4.886 5.273 162 HE22 GLN 21 1HE2 GLN 21 9.516 -3.646 6.456 163 H CYS 22 H CYS 22 3.795 -4.982 3.292 164 HA CYS 22 HA CYS 22 3.575 -2.263 2.712 165 HB2 CYS 22 1HB CYS 22 2.225 -4.715 1.946 166 HB3 CYS 22 2HB CYS 22 1.093 -3.372 2.062 167 H ASN 23 H ASN 23 1.252 -4.286 4.516 168 HA ASN 23 HA ASN 23 -0.363 -2.139 5.359 169 HB2 ASN 23 1HB ASN 23 -1.334 -4.296 5.436 170 HB3 ASN 23 2HB ASN 23 0.002 -4.952 6.377 171 HD21 ASN 23 2HD2 ASN 23 -3.079 -3.624 6.476 172 HD22 ASN 23 1HD2 ASN 23 -3.202 -3.392 8.184 173 H TYR 24 H TYR 24 2.596 -3.466 6.595 174 HA TYR 24 HA TYR 24 2.459 -2.483 9.232 175 HB2 TYR 24 1HB TYR 24 4.090 -4.158 8.683 176 HB3 TYR 24 2HB TYR 24 4.820 -3.125 7.460 177 HD1 TYR 24 HD1 TYR 24 4.015 -2.992 11.113 178 HD2 TYR 24 HD2 TYR 24 6.805 -2.105 8.024 179 HE1 TYR 24 HE1 TYR 24 5.591 -2.129 12.792 180 HE2 TYR 24 HE2 TYR 24 8.390 -1.241 9.696 181 HH TYR 24 HH TYR 24 8.529 -1.867 12.593 182 H ASP 25 H ASP 25 3.984 -1.130 6.316 183 HA ASP 25 HA ASP 25 4.724 1.307 7.620 184 HB2 ASP 25 1HB ASP 25 6.021 0.484 5.729 185 HB3 ASP 25 2HB ASP 25 4.607 0.588 4.684 186 H CYS 26 H CYS 26 2.008 0.217 5.698 187 HA CYS 26 HA CYS 26 0.894 2.777 5.188 188 HB2 CYS 26 1HB CYS 26 -0.245 -0.014 5.159 189 HB3 CYS 26 2HB CYS 26 -1.236 1.399 4.810 190 H LYS 27 H LYS 27 0.072 0.261 7.574 191 HA LYS 27 HA LYS 27 -1.891 1.794 8.910 192 HB2 LYS 27 1HB LYS 27 -0.283 -0.629 9.690 193 HB3 LYS 27 2HB LYS 27 -1.428 0.113 10.799 194 HG2 LYS 27 1HG LYS 27 -3.002 -0.141 8.647 195 HG3 LYS 27 2HG LYS 27 -1.901 -1.493 8.371 196 HD2 LYS 27 1HD LYS 27 -3.812 -2.257 9.636 197 HD3 LYS 27 2HD LYS 27 -2.376 -2.296 10.663 198 HE2 LYS 27 1HE LYS 27 -3.299 -0.889 12.119 199 HE3 LYS 27 2HE LYS 27 -3.690 0.262 10.842 200 HZ1 LYS 27 3HZ LYS 27 -5.437 -1.964 10.735 201 HZ2 LYS 27 1HZ LYS 27 -5.809 -0.327 10.944 202 HZ3 LYS 27 2HZ LYS 27 -5.456 -1.292 12.288 203 H LEU 28 H LEU 28 1.468 2.065 8.844 204 HA LEU 28 HA LEU 28 1.833 3.047 11.522 205 HB2 LEU 28 1HB LEU 28 3.669 1.968 10.386 206 HB3 LEU 28 2HB LEU 28 3.596 3.148 9.080 207 HG LEU 28 HG LEU 28 4.342 4.898 10.617 208 HD11 LEU 28 1HD1 LEU 28 5.006 4.432 12.863 209 HD12 LEU 28 2HD1 LEU 28 4.676 2.712 12.661 210 HD13 LEU 28 3HD1 LEU 28 3.347 3.871 12.658 211 HD21 LEU 28 3HD2 LEU 28 5.978 3.564 9.337 212 HD22 LEU 28 1HD2 LEU 28 6.134 2.474 10.715 213 HD23 LEU 28 2HD2 LEU 28 6.628 4.160 10.865 214 H ASP 29 H ASP 29 2.206 4.618 8.338 215 HA ASP 29 HA ASP 29 1.724 7.208 9.599 216 HB2 ASP 29 1HB ASP 29 3.469 6.403 7.611 217 HB3 ASP 29 2HB ASP 29 2.191 7.217 6.713 218 H LYS 30 H LYS 30 0.546 5.346 6.800 219 HA LYS 30 HA LYS 30 -1.639 7.096 6.288 220 HB2 LYS 30 1HB LYS 30 -1.438 4.210 5.435 221 HB3 LYS 30 2HB LYS 30 -2.329 5.507 4.649 222 HG2 LYS 30 1HG LYS 30 0.373 6.311 4.770 223 HG3 LYS 30 2HG LYS 30 0.344 4.640 4.201 224 HD2 LYS 30 1HD LYS 30 0.014 5.625 2.194 225 HD3 LYS 30 2HD LYS 30 -1.666 5.669 2.734 226 HE2 LYS 30 1HE LYS 30 0.141 7.922 3.468 227 HE3 LYS 30 2HE LYS 30 -0.466 7.827 1.815 228 HZ1 LYS 30 3HZ LYS 30 -2.651 7.387 3.429 229 HZ2 LYS 30 1HZ LYS 30 -2.299 8.795 2.560 230 HZ3 LYS 30 2HZ LYS 30 -1.814 8.655 4.173 231 H HIS 31 H HIS 31 -1.103 4.832 8.699 232 HA HIS 31 HA HIS 31 -2.427 3.729 10.197 233 HB2 HIS 31 1HB HIS 31 -2.940 6.280 10.464 234 HB3 HIS 31 2HB HIS 31 -4.506 5.849 9.783 235 HD1 HIS 31 HD1 HIS 31 -5.506 6.573 12.129 236 HD2 HIS 31 HD2 HIS 31 -3.060 3.214 12.185 237 HE1 HIS 31 HE1 HIS 31 -5.957 5.449 14.333 238 H ALA 32 H ALA 32 -2.772 2.980 7.410 239 HA ALA 32 HA ALA 32 -5.470 2.636 6.713 240 HB1 ALA 32 3HB ALA 32 -4.649 1.642 4.886 241 HB2 ALA 32 1HB ALA 32 -3.067 2.103 5.517 242 HB3 ALA 32 2HB ALA 32 -3.704 0.487 5.826 243 H ARG 33 H ARG 33 -5.695 -0.121 6.202 244 HA ARG 33 HA ARG 33 -5.716 -1.341 8.871 245 HB2 ARG 33 1HB ARG 33 -8.000 -2.193 8.467 246 HB3 ARG 33 2HB ARG 33 -7.943 -0.438 8.554 247 HG2 ARG 33 1HG ARG 33 -7.677 -0.746 5.911 248 HG3 ARG 33 2HG ARG 33 -8.596 -2.205 6.285 249 HD2 ARG 33 1HD ARG 33 -9.777 -0.083 7.726 250 HD3 ARG 33 2HD ARG 33 -9.506 0.495 6.083 251 HE ARG 33 HE ARG 33 -11.112 -0.964 5.336 252 HH11 ARG 33 1HH1 ARG 33 -10.225 -1.789 8.599 253 HH12 ARG 33 2HH1 ARG 33 -11.504 -2.942 8.794 254 HH21 ARG 33 1HH2 ARG 33 -12.800 -2.479 5.580 255 HH22 ARG 33 2HH2 ARG 33 -12.967 -3.334 7.076 256 H SER 34 H SER 34 -5.918 -1.738 5.381 257 HA SER 34 HA SER 34 -4.788 -4.432 5.691 258 HB2 SER 34 1HB SER 34 -7.285 -4.436 5.132 259 HB3 SER 34 2HB SER 34 -6.824 -3.781 3.560 260 HG SER 34 HG SER 34 -5.647 -6.133 4.591 261 H GLY 35 H GLY 35 -3.313 -2.116 5.230 262 HA2 GLY 35 1HA GLY 35 -2.810 -1.310 2.659 263 HA3 GLY 35 2HA GLY 35 -1.561 -1.464 3.885 264 H GLU 36 H GLU 36 -2.235 -2.285 0.842 265 HA GLU 36 HA GLU 36 -0.338 -4.471 0.871 266 HB2 GLU 36 1HB GLU 36 -2.848 -5.296 1.106 267 HB3 GLU 36 2HB GLU 36 -2.853 -5.034 -0.632 268 HG2 GLU 36 1HG GLU 36 -1.398 -6.740 -1.038 269 HG3 GLU 36 2HG GLU 36 -0.623 -6.604 0.538 270 H CYS 37 H CYS 37 0.056 -5.237 -1.465 271 HA CYS 37 HA CYS 37 -0.025 -2.878 -3.230 272 HB2 CYS 37 1HB CYS 37 2.075 -3.593 -4.180 273 HB3 CYS 37 2HB CYS 37 2.245 -3.530 -2.429 274 H PHE 38 H PHE 38 -0.498 -3.159 -5.404 275 HA PHE 38 HA PHE 38 -0.880 -5.706 -6.607 276 HB2 PHE 38 1HB PHE 38 -3.268 -5.765 -6.794 277 HB3 PHE 38 2HB PHE 38 -2.880 -5.571 -5.088 278 HD1 PHE 38 HD1 PHE 38 -3.250 -3.421 -3.969 279 HD2 PHE 38 HD2 PHE 38 -4.415 -4.067 -8.011 280 HE1 PHE 38 HE1 PHE 38 -4.689 -1.427 -3.869 281 HE2 PHE 38 HE2 PHE 38 -5.855 -2.075 -7.918 282 HZ PHE 38 HZ PHE 38 -5.993 -0.751 -5.845 283 H TYR 39 H TYR 39 -1.946 -5.484 -8.792 284 HA TYR 39 HA TYR 39 -0.680 -3.487 -10.277 285 HB2 TYR 39 1HB TYR 39 -2.766 -5.532 -10.830 286 HB3 TYR 39 2HB TYR 39 -2.600 -4.221 -11.992 287 HD1 TYR 39 HD1 TYR 39 0.170 -3.715 -12.272 288 HD2 TYR 39 HD2 TYR 39 -1.754 -7.451 -11.600 289 HE1 TYR 39 HE1 TYR 39 2.071 -4.875 -13.315 290 HE2 TYR 39 HE2 TYR 39 0.143 -8.621 -12.642 291 HH TYR 39 HH TYR 39 1.984 -8.302 -13.998 292 H ASP 40 H ASP 40 -1.112 -1.404 -10.492 293 HA ASP 40 HA ASP 40 -3.663 -0.346 -9.593 294 HB2 ASP 40 1HB ASP 40 -2.553 1.876 -10.023 295 HB3 ASP 40 2HB ASP 40 -1.741 0.859 -8.837 296 H GLU 41 H GLU 41 -4.221 1.777 -11.056 297 HA GLU 41 HA GLU 41 -5.486 0.771 -13.334 298 HB2 GLU 41 1HB GLU 41 -5.971 3.106 -13.896 299 HB3 GLU 41 2HB GLU 41 -6.244 2.790 -12.188 300 HG2 GLU 41 1HG GLU 41 -3.868 3.696 -11.847 301 HG3 GLU 41 2HG GLU 41 -4.034 4.338 -13.481 302 H LYS 42 H LYS 42 -2.272 1.917 -12.870 303 HA LYS 42 HA LYS 42 -1.803 2.259 -15.728 304 HB2 LYS 42 1HB LYS 42 -0.033 2.660 -13.314 305 HB3 LYS 42 2HB LYS 42 0.522 2.867 -14.970 306 HG2 LYS 42 1HG LYS 42 -1.337 4.565 -15.235 307 HG3 LYS 42 2HG LYS 42 -1.525 4.483 -13.482 308 HD2 LYS 42 1HD LYS 42 0.820 5.137 -13.206 309 HD3 LYS 42 2HD LYS 42 1.002 5.222 -14.960 310 HE2 LYS 42 1HE LYS 42 0.660 7.442 -14.218 311 HE3 LYS 42 2HE LYS 42 -0.858 6.925 -14.949 312 HZ1 LYS 42 3HZ LYS 42 -0.610 8.034 -12.501 313 HZ2 LYS 42 1HZ LYS 42 -0.687 6.386 -12.128 314 HZ3 LYS 42 2HZ LYS 42 -1.930 7.112 -13.017 315 H ARG 43 H ARG 43 -2.290 -0.362 -14.152 316 HA ARG 43 HA ARG 43 -1.603 -2.529 -14.253 317 HB2 ARG 43 1HB ARG 43 -0.243 -1.456 -16.727 318 HB3 ARG 43 2HB ARG 43 -0.282 -3.163 -16.306 319 HG2 ARG 43 1HG ARG 43 -2.331 -3.404 -17.123 320 HG3 ARG 43 2HG ARG 43 -2.924 -1.995 -16.242 321 HD2 ARG 43 1HD ARG 43 -3.189 -1.660 -18.627 322 HD3 ARG 43 2HD ARG 43 -1.993 -0.535 -17.985 323 HE ARG 43 HE ARG 43 -0.567 -2.717 -18.865 324 HH11 ARG 43 1HH1 ARG 43 -2.750 -0.395 -20.266 325 HH12 ARG 43 2HH1 ARG 43 -2.023 -0.464 -21.837 326 HH21 ARG 43 1HH2 ARG 43 0.399 -2.815 -20.929 327 HH22 ARG 43 2HH2 ARG 43 -0.232 -1.842 -22.214 328 H ASN 44 H ASN 44 0.060 -0.462 -12.855 329 HA ASN 44 HA ASN 44 2.652 -1.858 -12.892 330 HB2 ASN 44 1HB ASN 44 1.888 0.963 -12.170 331 HB3 ASN 44 2HB ASN 44 3.407 0.261 -11.622 332 HD21 ASN 44 2HD2 ASN 44 2.587 2.421 -13.605 333 HD22 ASN 44 1HD2 ASN 44 3.508 2.046 -15.019 334 H LEU 45 H LEU 45 3.405 -2.831 -11.089 335 HA LEU 45 HA LEU 45 1.573 -3.260 -8.918 336 HB2 LEU 45 1HB LEU 45 4.446 -4.136 -9.069 337 HB3 LEU 45 2HB LEU 45 3.153 -4.837 -8.099 338 HG LEU 45 HG LEU 45 2.988 -4.882 -11.088 339 HD11 LEU 45 1HD1 LEU 45 4.647 -6.658 -9.328 340 HD12 LEU 45 2HD1 LEU 45 5.112 -5.832 -10.816 341 HD13 LEU 45 3HD1 LEU 45 4.008 -7.207 -10.878 342 HD21 LEU 45 3HD2 LEU 45 1.871 -6.521 -8.826 343 HD22 LEU 45 1HD2 LEU 45 1.794 -7.036 -10.512 344 HD23 LEU 45 2HD2 LEU 45 0.996 -5.545 -10.007 345 H GLN 46 H GLN 46 1.344 -1.880 -7.297 346 HA GLN 46 HA GLN 46 3.736 -0.685 -6.103 347 HB2 GLN 46 1HB GLN 46 1.238 0.898 -6.721 348 HB3 GLN 46 2HB GLN 46 2.700 1.505 -5.955 349 HG2 GLN 46 1HG GLN 46 3.834 0.688 -8.166 350 HG3 GLN 46 2HG GLN 46 2.196 0.816 -8.806 351 HE21 GLN 46 2HE2 GLN 46 4.796 2.368 -9.141 352 HE22 GLN 46 1HE2 GLN 46 4.313 4.017 -8.960 353 H CYS 47 H CYS 47 3.257 0.286 -3.940 354 HA CYS 47 HA CYS 47 1.468 -1.502 -2.487 355 HB2 CYS 47 1HB CYS 47 3.861 -1.135 -1.779 356 HB3 CYS 47 2HB CYS 47 3.410 0.512 -1.348 357 H ILE 48 H ILE 48 -0.562 -0.849 -2.244 358 HA ILE 48 HA ILE 48 -1.088 2.020 -1.851 359 HB ILE 48 HB ILE 48 -3.084 -0.101 -2.640 360 HG12 ILE 48 1HG1 ILE 48 -2.788 1.467 -4.845 361 HG13 ILE 48 2HG1 ILE 48 -1.139 1.449 -4.229 362 HG21 ILE 48 1HG2 ILE 48 -4.055 1.854 -1.563 363 HG22 ILE 48 2HG2 ILE 48 -3.220 2.910 -2.700 364 HG23 ILE 48 3HG2 ILE 48 -4.475 1.813 -3.275 365 HD11 ILE 48 3HD1 ILE 48 -0.883 -0.468 -5.303 366 HD12 ILE 48 1HD1 ILE 48 -1.946 -1.196 -4.101 367 HD13 ILE 48 2HD1 ILE 48 -2.612 -0.600 -5.622 368 H CYS 49 H CYS 49 -2.386 2.720 -0.165 369 HA CYS 49 HA CYS 49 -2.831 0.739 1.968 370 HB2 CYS 49 1HB CYS 49 -2.564 3.713 2.381 371 HB3 CYS 49 2HB CYS 49 -2.435 2.432 3.583 372 H ASP 50 H ASP 50 -4.768 0.727 3.084 373 HA ASP 50 HA ASP 50 -6.911 2.403 1.948 374 HB2 ASP 50 1HB ASP 50 -7.451 -0.325 3.075 375 HB3 ASP 50 2HB ASP 50 -8.399 0.608 1.920 376 H TYR 51 H TYR 51 -7.531 3.839 3.413 377 HA TYR 51 HA TYR 51 -7.652 3.001 6.236 378 HB2 TYR 51 1HB TYR 51 -5.983 4.753 5.860 379 HB3 TYR 51 2HB TYR 51 -7.202 5.770 5.101 380 HD1 TYR 51 HD2 TYR 51 -7.445 3.724 8.204 381 HD2 TYR 51 HD1 TYR 51 -7.378 7.623 6.504 382 HE1 TYR 51 HE2 TYR 51 -8.000 4.685 10.400 383 HE2 TYR 51 HE1 TYR 51 -7.933 8.595 8.694 384 HH TYR 51 HH TYR 51 -8.921 7.970 10.788 385 H CYS 52 H CYS 52 -9.674 2.624 6.837 386 HA CYS 52 HA CYS 52 -11.845 4.181 5.621 387 HB2 CYS 52 1HB CYS 52 -11.817 1.533 7.069 388 HB3 CYS 52 2HB CYS 52 -13.305 2.382 6.661 389 H GLU 53 H GLU 53 -13.783 4.435 7.209 390 HA GLU 53 HA GLU 53 -12.731 5.444 9.772 391 HB2 GLU 53 1HB GLU 53 -13.392 7.238 8.176 392 HB3 GLU 53 2HB GLU 53 -15.027 6.592 8.176 393 HG2 GLU 53 1HG GLU 53 -15.436 7.268 10.350 394 HG3 GLU 53 2HG GLU 53 -13.722 7.389 10.741 395 H TYR 54 H TYR 54 -13.409 4.191 11.374 396 HA TYR 54 HA TYR 54 -16.145 3.103 11.247 397 HB2 TYR 54 1HB TYR 54 -15.234 1.358 12.869 398 HB3 TYR 54 2HB TYR 54 -14.670 1.254 11.205 399 HD1 TYR 54 HD1 TYR 54 -13.690 2.804 14.462 400 HD2 TYR 54 HD2 TYR 54 -12.406 0.988 10.834 401 HE1 TYR 54 HE1 TYR 54 -11.362 2.883 15.253 402 HE2 TYR 54 HE2 TYR 54 -10.075 1.061 11.616 403 HH TYR 54 HH TYR 54 -8.913 1.128 13.935 Start of MODEL 19 1 H1 ASP 2 H ASP 2 -18.740 4.981 4.302 2 HA ASP 2 HA ASP 2 -16.993 4.406 2.339 3 HB2 ASP 2 1HB ASP 2 -18.323 6.476 2.416 4 HB3 ASP 2 2HB ASP 2 -17.246 7.120 3.652 5 H CYS 3 H CYS 3 -14.812 4.492 1.933 6 HA CYS 3 HA CYS 3 -13.048 5.089 4.210 7 HB2 CYS 3 1HB CYS 3 -12.521 2.803 2.319 8 HB3 CYS 3 2HB CYS 3 -11.763 3.132 3.875 9 H LYS 4 H LYS 4 -10.676 5.144 3.402 10 HA LYS 4 HA LYS 4 -10.585 6.496 0.786 11 HB2 LYS 4 1HB LYS 4 -8.707 7.883 1.855 12 HB3 LYS 4 2HB LYS 4 -10.363 8.267 2.306 13 HG2 LYS 4 1HG LYS 4 -10.089 6.962 4.366 14 HG3 LYS 4 2HG LYS 4 -8.416 6.630 3.918 15 HD2 LYS 4 1HD LYS 4 -9.548 9.401 4.280 16 HD3 LYS 4 2HD LYS 4 -8.700 8.508 5.544 17 HE2 LYS 4 1HE LYS 4 -7.589 9.357 2.872 18 HE3 LYS 4 2HE LYS 4 -7.171 10.027 4.449 19 HZ1 LYS 4 3HZ LYS 4 -6.614 7.274 3.486 20 HZ2 LYS 4 1HZ LYS 4 -6.328 7.807 5.067 21 HZ3 LYS 4 2HZ LYS 4 -5.480 8.496 3.775 22 H ARG 5 H ARG 5 -8.646 6.293 -0.402 23 HA ARG 5 HA ARG 5 -6.618 4.456 0.600 24 HB2 ARG 5 1HB ARG 5 -6.735 3.124 -1.524 25 HB3 ARG 5 2HB ARG 5 -8.111 2.913 -0.449 26 HG2 ARG 5 1HG ARG 5 -9.555 4.008 -1.855 27 HG3 ARG 5 2HG ARG 5 -8.270 4.944 -2.620 28 HD2 ARG 5 1HD ARG 5 -9.014 3.349 -4.216 29 HD3 ARG 5 2HD ARG 5 -7.444 2.801 -3.631 30 HE ARG 5 HE ARG 5 -9.578 1.643 -2.146 31 HH11 ARG 5 1HH1 ARG 5 -7.837 1.431 -5.154 32 HH12 ARG 5 2HH1 ARG 5 -8.175 -0.253 -5.381 33 HH21 ARG 5 1HH2 ARG 5 -10.029 -0.574 -2.435 34 HH22 ARG 5 2HH2 ARG 5 -9.423 -1.393 -3.835 35 H LYS 6 H LYS 6 -4.655 4.487 -0.628 36 HA LYS 6 HA LYS 6 -4.355 6.333 -2.813 37 HB2 LYS 6 1HB LYS 6 -4.304 7.967 -1.066 38 HB3 LYS 6 2HB LYS 6 -3.221 6.981 -0.093 39 HG2 LYS 6 1HG LYS 6 -1.377 7.536 -1.328 40 HG3 LYS 6 2HG LYS 6 -2.317 7.867 -2.785 41 HD2 LYS 6 1HD LYS 6 -1.504 9.953 -1.940 42 HD3 LYS 6 2HD LYS 6 -3.241 9.885 -1.634 43 HE2 LYS 6 1HE LYS 6 -2.921 9.443 0.659 44 HE3 LYS 6 2HE LYS 6 -1.217 9.055 0.426 45 HZ1 LYS 6 3HZ LYS 6 -1.955 11.721 -0.398 46 HZ2 LYS 6 1HZ LYS 6 -0.638 11.198 0.527 47 HZ3 LYS 6 2HZ LYS 6 -2.143 11.436 1.259 48 H VAL 7 H VAL 7 -2.562 5.900 -4.017 49 HA VAL 7 HA VAL 7 -0.877 3.685 -3.072 50 HB VAL 7 HB VAL 7 -2.035 3.185 -5.135 51 HG11 VAL 7 1HG1 VAL 7 -1.503 5.916 -5.722 52 HG12 VAL 7 2HG1 VAL 7 -0.794 4.923 -6.997 53 HG13 VAL 7 3HG1 VAL 7 -2.508 4.772 -6.611 54 HG21 VAL 7 3HG2 VAL 7 -0.262 2.137 -6.017 55 HG22 VAL 7 1HG2 VAL 7 0.590 3.650 -6.330 56 HG23 VAL 7 2HG2 VAL 7 0.661 2.912 -4.729 57 H TYR 8 H TYR 8 1.240 3.958 -2.736 58 HA TYR 8 HA TYR 8 2.420 6.549 -3.490 59 HB2 TYR 8 1HB TYR 8 2.363 5.135 -1.011 60 HB3 TYR 8 2HB TYR 8 4.032 5.213 -1.562 61 HD1 TYR 8 HD2 TYR 8 4.228 7.795 -2.850 62 HD2 TYR 8 HD1 TYR 8 2.099 6.705 0.668 63 HE1 TYR 8 HE2 TYR 8 4.392 10.112 -2.040 64 HE2 TYR 8 HE1 TYR 8 2.255 9.018 1.488 65 HH TYR 8 HH TYR 8 4.345 11.260 0.278 66 H GLU 9 H GLU 9 3.109 5.929 -5.547 67 HA GLU 9 HA GLU 9 4.573 3.583 -6.104 68 HB2 GLU 9 1HB GLU 9 5.137 4.643 -8.221 69 HB3 GLU 9 2HB GLU 9 3.441 4.907 -7.840 70 HG2 GLU 9 1HG GLU 9 4.517 7.124 -6.761 71 HG3 GLU 9 2HG GLU 9 5.652 6.831 -8.078 72 H ASN 10 H ASN 10 5.454 6.540 -4.615 73 HA ASN 10 HA ASN 10 8.197 6.631 -5.264 74 HB2 ASN 10 1HB ASN 10 8.368 8.329 -3.696 75 HB3 ASN 10 2HB ASN 10 6.651 8.388 -4.083 76 HD21 ASN 10 2HD2 ASN 10 8.265 9.101 -1.656 77 HD22 ASN 10 1HD2 ASN 10 7.469 8.289 -0.355 78 H TYR 11 H TYR 11 6.424 4.486 -3.325 79 HA TYR 11 HA TYR 11 8.566 3.806 -1.520 80 HB2 TYR 11 1HB TYR 11 5.750 3.158 -1.813 81 HB3 TYR 11 2HB TYR 11 6.710 1.723 -1.474 82 HD1 TYR 11 HD2 TYR 11 7.233 5.210 -0.279 83 HD2 TYR 11 HD1 TYR 11 6.197 1.211 0.746 84 HE1 TYR 11 HE2 TYR 11 7.286 5.812 2.105 85 HE2 TYR 11 HE1 TYR 11 6.245 1.805 3.132 86 HH TYR 11 HH TYR 11 7.049 5.102 4.190 87 HA PRO 12 HA PRO 12 10.635 0.732 -3.870 88 HB2 PRO 12 1HB PRO 12 11.221 -1.125 -1.978 89 HB3 PRO 12 2HB PRO 12 12.031 0.444 -2.068 90 HG2 PRO 12 1HG PRO 12 9.781 -0.427 -0.297 91 HG3 PRO 12 2HG PRO 12 11.215 0.533 0.108 92 HD2 PRO 12 1HD PRO 12 8.790 1.652 -0.328 93 HD3 PRO 12 2HD PRO 12 10.308 2.476 -0.735 94 H VAL 13 H VAL 13 9.889 -0.737 -5.255 95 HA VAL 13 HA VAL 13 7.404 -2.054 -4.891 96 HB VAL 13 HB VAL 13 9.546 -2.674 -6.928 97 HG11 VAL 13 1HG1 VAL 13 6.671 -3.446 -6.636 98 HG12 VAL 13 2HG1 VAL 13 7.403 -3.326 -8.237 99 HG13 VAL 13 3HG1 VAL 13 8.063 -4.448 -7.046 100 HG21 VAL 13 3HG2 VAL 13 7.458 -1.201 -8.090 101 HG22 VAL 13 1HG2 VAL 13 7.885 -0.359 -6.600 102 HG23 VAL 13 2HG2 VAL 13 9.121 -0.681 -7.815 103 H SER 14 H SER 14 10.681 -2.908 -4.178 104 HA SER 14 HA SER 14 10.536 -5.691 -4.173 105 HB2 SER 14 1HB SER 14 12.110 -4.013 -2.209 106 HB3 SER 14 2HB SER 14 12.471 -5.658 -2.737 107 HG SER 14 HG SER 14 13.734 -4.061 -3.821 108 H LYS 15 H LYS 15 9.323 -3.348 -1.900 109 HA LYS 15 HA LYS 15 8.898 -5.145 0.265 110 HB2 LYS 15 1HB LYS 15 8.181 -2.356 -0.394 111 HB3 LYS 15 2HB LYS 15 7.079 -3.176 0.704 112 HG2 LYS 15 1HG LYS 15 8.832 -1.912 1.874 113 HG3 LYS 15 2HG LYS 15 8.880 -3.638 2.239 114 HD2 LYS 15 1HD LYS 15 10.732 -3.958 0.739 115 HD3 LYS 15 2HD LYS 15 10.618 -2.289 0.176 116 HE2 LYS 15 1HE LYS 15 11.372 -3.224 2.942 117 HE3 LYS 15 2HE LYS 15 12.439 -2.488 1.748 118 HZ1 LYS 15 3HZ LYS 15 10.948 -0.494 1.872 119 HZ2 LYS 15 1HZ LYS 15 11.848 -0.805 3.269 120 HZ3 LYS 15 2HZ LYS 15 10.206 -1.206 3.215 121 H CYS 16 H CYS 16 7.115 -4.331 -2.602 122 HA CYS 16 HA CYS 16 4.534 -5.055 -1.922 123 HB2 CYS 16 1HB CYS 16 5.106 -4.065 -4.082 124 HB3 CYS 16 2HB CYS 16 5.974 -5.528 -4.541 125 H GLN 17 H GLN 17 7.314 -7.073 -2.539 126 HA GLN 17 HA GLN 17 6.069 -9.522 -3.003 127 HB2 GLN 17 1HB GLN 17 8.142 -10.540 -2.490 128 HB3 GLN 17 2HB GLN 17 8.540 -8.972 -3.179 129 HG2 GLN 17 1HG GLN 17 8.618 -8.178 -0.721 130 HG3 GLN 17 2HG GLN 17 8.748 -9.896 -0.347 131 HE21 GLN 17 2HE2 GLN 17 10.825 -9.675 0.464 132 HE22 GLN 17 1HE2 GLN 17 12.191 -9.397 -0.556 133 H LEU 18 H LEU 18 6.358 -7.674 -0.105 134 HA LEU 18 HA LEU 18 5.418 -9.949 1.502 135 HB2 LEU 18 1HB LEU 18 6.539 -7.300 2.404 136 HB3 LEU 18 2HB LEU 18 6.072 -8.638 3.453 137 HG LEU 18 HG LEU 18 8.244 -8.902 1.390 138 HD11 LEU 18 1HD1 LEU 18 8.365 -7.779 4.160 139 HD12 LEU 18 2HD1 LEU 18 9.123 -7.189 2.681 140 HD13 LEU 18 3HD1 LEU 18 9.743 -8.638 3.472 141 HD21 LEU 18 3HD2 LEU 18 7.103 -10.910 2.470 142 HD22 LEU 18 1HD2 LEU 18 7.883 -10.400 3.968 143 HD23 LEU 18 2HD2 LEU 18 8.863 -10.835 2.567 144 H ALA 19 H ALA 19 3.482 -9.898 2.535 145 HA ALA 19 HA ALA 19 1.619 -7.825 1.711 146 HB1 ALA 19 3HB ALA 19 1.260 -10.456 3.126 147 HB2 ALA 19 1HB ALA 19 -0.061 -9.318 2.857 148 HB3 ALA 19 2HB ALA 19 0.785 -10.029 1.482 149 H ASN 20 H ASN 20 3.036 -9.108 4.681 150 HA ASN 20 HA ASN 20 1.519 -7.448 6.433 151 HB2 ASN 20 1HB ASN 20 4.119 -8.932 6.882 152 HB3 ASN 20 2HB ASN 20 3.166 -8.166 8.151 153 HD21 ASN 20 2HD2 ASN 20 3.560 -10.905 6.159 154 HD22 ASN 20 1HD2 ASN 20 2.215 -11.815 6.750 155 H GLN 21 H GLN 21 4.619 -7.157 4.813 156 HA GLN 21 HA GLN 21 5.645 -4.971 6.235 157 HB2 GLN 21 1HB GLN 21 6.923 -6.390 4.623 158 HB3 GLN 21 2HB GLN 21 6.071 -5.591 3.309 159 HG2 GLN 21 1HG GLN 21 8.399 -4.754 3.864 160 HG3 GLN 21 2HG GLN 21 7.124 -3.546 3.712 161 HE21 GLN 21 2HE2 GLN 21 9.184 -5.278 5.930 162 HE22 GLN 21 1HE2 GLN 21 8.981 -4.204 7.267 163 H CYS 22 H CYS 22 3.648 -5.092 3.302 164 HA CYS 22 HA CYS 22 3.561 -2.363 2.756 165 HB2 CYS 22 1HB CYS 22 2.138 -4.734 1.921 166 HB3 CYS 22 2HB CYS 22 1.027 -3.378 2.089 167 H ASN 23 H ASN 23 1.075 -4.273 4.465 168 HA ASN 23 HA ASN 23 -0.433 -2.070 5.322 169 HB2 ASN 23 1HB ASN 23 -1.549 -4.125 5.418 170 HB3 ASN 23 2HB ASN 23 -0.214 -4.919 6.249 171 HD21 ASN 23 2HD2 ASN 23 0.087 -4.537 8.469 172 HD22 ASN 23 1HD2 ASN 23 -1.203 -3.956 9.461 173 H TYR 24 H TYR 24 2.399 -3.612 6.658 174 HA TYR 24 HA TYR 24 2.287 -2.612 9.271 175 HB2 TYR 24 1HB TYR 24 3.856 -4.352 8.701 176 HB3 TYR 24 2HB TYR 24 4.660 -3.310 7.533 177 HD1 TYR 24 HD1 TYR 24 3.946 -3.663 11.166 178 HD2 TYR 24 HD2 TYR 24 6.473 -1.980 8.185 179 HE1 TYR 24 HE1 TYR 24 5.505 -2.919 12.917 180 HE2 TYR 24 HE2 TYR 24 8.039 -1.232 9.927 181 HH TYR 24 HH TYR 24 7.311 -0.956 13.058 182 H ASP 25 H ASP 25 3.886 -1.287 6.383 183 HA ASP 25 HA ASP 25 4.662 1.123 7.747 184 HB2 ASP 25 1HB ASP 25 4.816 0.200 4.884 185 HB3 ASP 25 2HB ASP 25 5.252 1.842 5.349 186 H CYS 26 H CYS 26 1.980 0.063 5.807 187 HA CYS 26 HA CYS 26 0.995 2.659 5.149 188 HB2 CYS 26 1HB CYS 26 -0.184 -0.109 5.075 189 HB3 CYS 26 2HB CYS 26 -1.166 1.309 4.719 190 H LYS 27 H LYS 27 0.548 0.442 7.816 191 HA LYS 27 HA LYS 27 -1.610 2.013 8.957 192 HB2 LYS 27 1HB LYS 27 -0.169 -0.477 9.864 193 HB3 LYS 27 2HB LYS 27 -1.382 0.331 10.849 194 HG2 LYS 27 1HG LYS 27 -2.832 0.086 8.664 195 HG3 LYS 27 2HG LYS 27 -1.702 -1.232 8.343 196 HD2 LYS 27 1HD LYS 27 -3.591 -2.145 9.492 197 HD3 LYS 27 2HD LYS 27 -2.230 -2.131 10.616 198 HE2 LYS 27 1HE LYS 27 -3.469 0.338 10.962 199 HE3 LYS 27 2HE LYS 27 -4.797 -0.811 10.802 200 HZ1 LYS 27 3HZ LYS 27 -4.444 -1.192 12.957 201 HZ2 LYS 27 1HZ LYS 27 -2.913 -0.473 12.949 202 HZ3 LYS 27 2HZ LYS 27 -3.093 -2.085 12.468 203 H LEU 28 H LEU 28 1.737 2.128 8.932 204 HA LEU 28 HA LEU 28 2.123 3.072 11.625 205 HB2 LEU 28 1HB LEU 28 3.786 1.921 9.911 206 HB3 LEU 28 2HB LEU 28 4.115 3.598 9.484 207 HG LEU 28 HG LEU 28 5.764 2.860 11.058 208 HD11 LEU 28 1HD1 LEU 28 5.522 4.520 12.773 209 HD12 LEU 28 2HD1 LEU 28 3.777 4.587 12.524 210 HD13 LEU 28 3HD1 LEU 28 4.869 5.167 11.266 211 HD21 LEU 28 3HD2 LEU 28 5.252 1.964 13.216 212 HD22 LEU 28 1HD2 LEU 28 4.385 1.013 12.010 213 HD23 LEU 28 2HD2 LEU 28 3.523 2.218 12.969 214 H ASP 29 H ASP 29 2.600 4.617 8.443 215 HA ASP 29 HA ASP 29 2.264 7.233 9.699 216 HB2 ASP 29 1HB ASP 29 3.444 6.248 7.147 217 HB3 ASP 29 2HB ASP 29 2.786 7.882 7.166 218 H LYS 30 H LYS 30 0.970 5.426 6.916 219 HA LYS 30 HA LYS 30 -1.118 7.300 6.415 220 HB2 LYS 30 1HB LYS 30 -0.275 4.676 5.350 221 HB3 LYS 30 2HB LYS 30 -1.991 5.034 5.202 222 HG2 LYS 30 1HG LYS 30 0.088 6.995 4.304 223 HG3 LYS 30 2HG LYS 30 -0.445 5.671 3.264 224 HD2 LYS 30 1HD LYS 30 -2.603 7.225 4.524 225 HD3 LYS 30 2HD LYS 30 -1.619 8.113 3.359 226 HE2 LYS 30 1HE LYS 30 -3.090 7.235 1.885 227 HE3 LYS 30 2HE LYS 30 -2.013 5.843 1.981 228 HZ1 LYS 30 3HZ LYS 30 -4.442 6.191 3.651 229 HZ2 LYS 30 1HZ LYS 30 -3.458 4.817 3.564 230 HZ3 LYS 30 2HZ LYS 30 -4.388 5.278 2.228 231 H HIS 31 H HIS 31 -0.695 4.940 8.774 232 HA HIS 31 HA HIS 31 -2.069 3.908 10.275 233 HB2 HIS 31 1HB HIS 31 -3.429 6.540 9.772 234 HB3 HIS 31 2HB HIS 31 -4.115 5.375 10.900 235 HD1 HIS 31 HD1 HIS 31 -1.762 8.105 10.723 236 HD2 HIS 31 HD2 HIS 31 -2.191 4.688 13.046 237 HE1 HIS 31 HE1 HIS 31 -0.341 8.495 12.762 238 H ALA 32 H ALA 32 -2.457 3.209 7.481 239 HA ALA 32 HA ALA 32 -5.171 3.012 6.787 240 HB1 ALA 32 3HB ALA 32 -2.795 2.362 5.584 241 HB2 ALA 32 1HB ALA 32 -3.527 0.782 5.871 242 HB3 ALA 32 2HB ALA 32 -4.400 2.005 4.946 243 H ARG 33 H ARG 33 -5.565 0.292 6.249 244 HA ARG 33 HA ARG 33 -5.647 -0.953 8.907 245 HB2 ARG 33 1HB ARG 33 -7.832 0.187 8.295 246 HB3 ARG 33 2HB ARG 33 -7.989 -1.003 7.009 247 HG2 ARG 33 1HG ARG 33 -7.597 -2.680 9.021 248 HG3 ARG 33 2HG ARG 33 -8.254 -1.326 9.942 249 HD2 ARG 33 1HD ARG 33 -10.220 -2.318 9.418 250 HD3 ARG 33 2HD ARG 33 -10.023 -1.386 7.935 251 HE ARG 33 HE ARG 33 -8.768 -3.729 7.390 252 HH11 ARG 33 1HH1 ARG 33 -11.941 -2.902 8.559 253 HH12 ARG 33 2HH1 ARG 33 -12.706 -4.282 7.846 254 HH21 ARG 33 1HH2 ARG 33 -9.764 -5.551 6.447 255 HH22 ARG 33 2HH2 ARG 33 -11.467 -5.790 6.645 256 H SER 34 H SER 34 -5.870 -1.332 5.412 257 HA SER 34 HA SER 34 -4.840 -4.067 5.715 258 HB2 SER 34 1HB SER 34 -7.386 -3.806 5.099 259 HB3 SER 34 2HB SER 34 -6.752 -3.451 3.492 260 HG SER 34 HG SER 34 -7.230 -5.725 3.979 261 H GLY 35 H GLY 35 -3.289 -1.796 5.245 262 HA2 GLY 35 1HA GLY 35 -2.768 -1.025 2.666 263 HA3 GLY 35 2HA GLY 35 -1.523 -1.203 3.895 264 H GLU 36 H GLU 36 -2.366 -2.111 0.867 265 HA GLU 36 HA GLU 36 -0.473 -4.315 0.902 266 HB2 GLU 36 1HB GLU 36 -2.975 -5.096 1.208 267 HB3 GLU 36 2HB GLU 36 -3.046 -4.828 -0.527 268 HG2 GLU 36 1HG GLU 36 -1.553 -6.522 -0.988 269 HG3 GLU 36 2HG GLU 36 -0.851 -6.482 0.628 270 H CYS 37 H CYS 37 0.065 -5.041 -1.337 271 HA CYS 37 HA CYS 37 0.017 -2.725 -3.142 272 HB2 CYS 37 1HB CYS 37 2.030 -3.554 -4.113 273 HB3 CYS 37 2HB CYS 37 2.227 -3.680 -2.367 274 H PHE 38 H PHE 38 -0.374 -3.009 -5.377 275 HA PHE 38 HA PHE 38 -1.198 -5.525 -6.450 276 HB2 PHE 38 1HB PHE 38 -3.164 -4.518 -4.988 277 HB3 PHE 38 2HB PHE 38 -3.432 -3.543 -6.429 278 HD1 PHE 38 HD2 PHE 38 -2.587 -7.121 -5.766 279 HD2 PHE 38 HD1 PHE 38 -5.133 -4.336 -7.735 280 HE1 PHE 38 HE2 PHE 38 -3.829 -8.983 -6.788 281 HE2 PHE 38 HE1 PHE 38 -6.380 -6.193 -8.758 282 HZ PHE 38 HZ PHE 38 -5.728 -8.520 -8.285 283 H TYR 39 H TYR 39 -2.269 -5.146 -8.685 284 HA TYR 39 HA TYR 39 -0.491 -3.531 -10.199 285 HB2 TYR 39 1HB TYR 39 -2.986 -5.057 -10.944 286 HB3 TYR 39 2HB TYR 39 -2.012 -4.183 -12.121 287 HD1 TYR 39 HD2 TYR 39 -1.753 -6.837 -9.517 288 HD2 TYR 39 HD1 TYR 39 -0.221 -5.250 -13.155 289 HE1 TYR 39 HE2 TYR 39 -0.288 -8.800 -9.749 290 HE2 TYR 39 HE1 TYR 39 1.248 -7.208 -13.397 291 HH TYR 39 HH TYR 39 1.091 -9.754 -12.459 292 H ASP 40 H ASP 40 -0.795 -1.601 -11.225 293 HA ASP 40 HA ASP 40 -3.148 -0.061 -10.378 294 HB2 ASP 40 1HB ASP 40 -0.321 0.652 -11.007 295 HB3 ASP 40 2HB ASP 40 -1.567 1.856 -11.323 296 H GLU 41 H GLU 41 -3.788 1.700 -11.996 297 HA GLU 41 HA GLU 41 -4.783 0.498 -14.309 298 HB2 GLU 41 1HB GLU 41 -4.326 3.463 -14.062 299 HB3 GLU 41 2HB GLU 41 -5.616 2.624 -14.914 300 HG2 GLU 41 1HG GLU 41 -5.263 2.931 -11.949 301 HG3 GLU 41 2HG GLU 41 -6.559 3.567 -12.960 302 H LYS 42 H LYS 42 -1.711 1.901 -13.667 303 HA LYS 42 HA LYS 42 -1.055 2.216 -16.487 304 HB2 LYS 42 1HB LYS 42 0.542 2.726 -13.973 305 HB3 LYS 42 2HB LYS 42 1.156 2.990 -15.600 306 HG2 LYS 42 1HG LYS 42 -0.647 4.624 -15.985 307 HG3 LYS 42 2HG LYS 42 -1.177 4.396 -14.317 308 HD2 LYS 42 1HD LYS 42 0.159 6.278 -14.149 309 HD3 LYS 42 2HD LYS 42 1.288 4.987 -13.733 310 HE2 LYS 42 1HE LYS 42 2.353 5.090 -15.806 311 HE3 LYS 42 2HE LYS 42 1.006 5.943 -16.560 312 HZ1 LYS 42 3HZ LYS 42 1.609 7.777 -14.864 313 HZ2 LYS 42 1HZ LYS 42 2.543 7.607 -16.264 314 HZ3 LYS 42 2HZ LYS 42 3.108 6.996 -14.791 315 H ARG 43 H ARG 43 -1.499 -0.408 -14.893 316 HA ARG 43 HA ARG 43 -0.697 -2.537 -14.933 317 HB2 ARG 43 1HB ARG 43 0.630 -1.326 -17.338 318 HB3 ARG 43 2HB ARG 43 0.997 -2.978 -16.858 319 HG2 ARG 43 1HG ARG 43 -0.688 -3.358 -18.339 320 HG3 ARG 43 2HG ARG 43 -1.624 -3.204 -16.851 321 HD2 ARG 43 1HD ARG 43 -2.689 -1.908 -18.568 322 HD3 ARG 43 2HD ARG 43 -1.978 -0.806 -17.388 323 HE ARG 43 HE ARG 43 -0.601 -0.005 -19.028 324 HH11 ARG 43 1HH1 ARG 43 -1.941 -3.047 -20.060 325 HH12 ARG 43 2HH1 ARG 43 -1.304 -2.931 -21.668 326 HH21 ARG 43 1HH2 ARG 43 0.243 0.160 -21.141 327 HH22 ARG 43 2HH2 ARG 43 -0.061 -1.107 -22.280 328 H ASN 44 H ASN 44 0.501 -0.820 -13.088 329 HA ASN 44 HA ASN 44 3.217 -1.949 -12.969 330 HB2 ASN 44 1HB ASN 44 2.717 0.717 -13.334 331 HB3 ASN 44 2HB ASN 44 2.845 0.618 -11.580 332 HD21 ASN 44 2HD2 ASN 44 4.633 2.004 -13.237 333 HD22 ASN 44 1HD2 ASN 44 6.181 1.244 -13.115 334 H LEU 45 H LEU 45 3.984 -2.508 -10.913 335 HA LEU 45 HA LEU 45 1.874 -3.054 -8.982 336 HB2 LEU 45 1HB LEU 45 4.739 -3.858 -8.663 337 HB3 LEU 45 2HB LEU 45 3.289 -4.645 -8.041 338 HG LEU 45 HG LEU 45 4.034 -4.581 -10.962 339 HD11 LEU 45 1HD1 LEU 45 5.754 -5.755 -9.679 340 HD12 LEU 45 2HD1 LEU 45 4.814 -6.866 -10.674 341 HD13 LEU 45 3HD1 LEU 45 4.512 -6.766 -8.939 342 HD21 LEU 45 3HD2 LEU 45 1.749 -5.521 -9.430 343 HD22 LEU 45 1HD2 LEU 45 2.469 -6.786 -10.426 344 HD23 LEU 45 2HD2 LEU 45 1.927 -5.281 -11.169 345 H GLN 46 H GLN 46 1.540 -1.851 -7.239 346 HA GLN 46 HA GLN 46 3.769 -0.424 -6.006 347 HB2 GLN 46 1HB GLN 46 1.176 0.951 -6.721 348 HB3 GLN 46 2HB GLN 46 2.555 1.676 -5.903 349 HG2 GLN 46 1HG GLN 46 2.613 0.586 -8.707 350 HG3 GLN 46 2HG GLN 46 2.378 2.283 -8.291 351 HE21 GLN 46 2HE2 GLN 46 4.353 2.128 -9.834 352 HE22 GLN 46 1HE2 GLN 46 5.890 2.103 -9.045 353 H CYS 47 H CYS 47 3.210 0.433 -3.850 354 HA CYS 47 HA CYS 47 1.427 -1.434 -2.484 355 HB2 CYS 47 1HB CYS 47 3.796 -1.076 -1.712 356 HB3 CYS 47 2HB CYS 47 3.337 0.562 -1.258 357 H ILE 48 H ILE 48 -0.616 -0.804 -2.278 358 HA ILE 48 HA ILE 48 -1.213 2.046 -1.927 359 HB ILE 48 HB ILE 48 -3.155 -0.199 -2.472 360 HG12 ILE 48 1HG1 ILE 48 -3.086 1.226 -4.772 361 HG13 ILE 48 2HG1 ILE 48 -1.411 1.392 -4.259 362 HG21 ILE 48 1HG2 ILE 48 -3.444 2.796 -2.669 363 HG22 ILE 48 2HG2 ILE 48 -4.672 1.614 -3.118 364 HG23 ILE 48 3HG2 ILE 48 -4.161 1.759 -1.436 365 HD11 ILE 48 3HD1 ILE 48 -2.718 -0.827 -5.495 366 HD12 ILE 48 1HD1 ILE 48 -1.006 -0.587 -5.150 367 HD13 ILE 48 2HD1 ILE 48 -2.058 -1.313 -3.934 368 H CYS 49 H CYS 49 -2.365 2.825 -0.191 369 HA CYS 49 HA CYS 49 -2.761 0.936 2.038 370 HB2 CYS 49 1HB CYS 49 -2.185 3.884 2.335 371 HB3 CYS 49 2HB CYS 49 -2.139 2.643 3.583 372 H ASP 50 H ASP 50 -4.740 0.798 2.884 373 HA ASP 50 HA ASP 50 -6.727 2.816 2.072 374 HB2 ASP 50 1HB ASP 50 -7.072 -0.132 2.643 375 HB3 ASP 50 2HB ASP 50 -8.414 0.984 2.409 376 H TYR 51 H TYR 51 -7.471 4.059 3.648 377 HA TYR 51 HA TYR 51 -7.337 3.053 6.414 378 HB2 TYR 51 1HB TYR 51 -5.869 4.955 6.090 379 HB3 TYR 51 2HB TYR 51 -7.179 5.891 5.378 380 HD1 TYR 51 HD2 TYR 51 -7.262 3.755 8.423 381 HD2 TYR 51 HD1 TYR 51 -7.408 7.702 6.840 382 HE1 TYR 51 HE2 TYR 51 -7.850 4.620 10.649 383 HE2 TYR 51 HE1 TYR 51 -7.995 8.578 9.062 384 HH TYR 51 HH TYR 51 -7.801 6.651 11.905 385 H CYS 52 H CYS 52 -9.224 2.625 7.325 386 HA CYS 52 HA CYS 52 -11.575 4.208 6.534 387 HB2 CYS 52 1HB CYS 52 -11.399 1.764 5.621 388 HB3 CYS 52 2HB CYS 52 -11.842 1.311 7.263 389 H GLU 53 H GLU 53 -12.890 4.869 8.159 390 HA GLU 53 HA GLU 53 -12.239 3.936 10.877 391 HB2 GLU 53 1HB GLU 53 -11.369 6.180 10.588 392 HB3 GLU 53 2HB GLU 53 -12.918 6.738 9.972 393 HG2 GLU 53 1HG GLU 53 -13.914 6.693 12.055 394 HG3 GLU 53 2HG GLU 53 -12.734 5.558 12.707 395 H TYR 54 H TYR 54 -13.907 2.600 11.304 396 HA TYR 54 HA TYR 54 -16.516 2.806 10.364 397 HB2 TYR 54 1HB TYR 54 -17.118 1.271 12.201 398 HB3 TYR 54 2HB TYR 54 -15.652 0.761 11.371 399 HD1 TYR 54 HD1 TYR 54 -16.977 2.277 14.461 400 HD2 TYR 54 HD2 TYR 54 -13.558 0.655 12.517 401 HE1 TYR 54 HE1 TYR 54 -15.791 2.211 16.615 402 HE2 TYR 54 HE2 TYR 54 -12.362 0.584 14.665 403 HH TYR 54 HH TYR 54 -13.930 1.026 17.655 Start of MODEL 20 1 H1 ASP 2 H ASP 2 -18.373 4.903 4.032 2 HA ASP 2 HA ASP 2 -16.897 4.265 1.571 3 HB2 ASP 2 1HB ASP 2 -17.820 6.898 2.727 4 HB3 ASP 2 2HB ASP 2 -16.719 6.781 1.356 5 H CYS 3 H CYS 3 -14.748 4.152 1.600 6 HA CYS 3 HA CYS 3 -13.336 5.209 3.962 7 HB2 CYS 3 1HB CYS 3 -12.350 2.912 2.281 8 HB3 CYS 3 2HB CYS 3 -11.838 3.382 3.899 9 H LYS 4 H LYS 4 -10.899 5.477 3.450 10 HA LYS 4 HA LYS 4 -10.639 6.786 0.822 11 HB2 LYS 4 1HB LYS 4 -10.614 8.581 2.302 12 HB3 LYS 4 2HB LYS 4 -9.779 7.669 3.553 13 HG2 LYS 4 1HG LYS 4 -8.356 9.393 2.567 14 HG3 LYS 4 2HG LYS 4 -7.713 7.773 2.292 15 HD2 LYS 4 1HD LYS 4 -7.697 8.145 0.102 16 HD3 LYS 4 2HD LYS 4 -9.440 8.420 0.128 17 HE2 LYS 4 1HE LYS 4 -9.201 10.719 0.340 18 HE3 LYS 4 2HE LYS 4 -7.555 10.590 0.960 19 HZ1 LYS 4 3HZ LYS 4 -7.028 11.169 -1.130 20 HZ2 LYS 4 1HZ LYS 4 -8.501 10.649 -1.779 21 HZ3 LYS 4 2HZ LYS 4 -7.272 9.529 -1.469 22 H ARG 5 H ARG 5 -9.141 5.930 -0.450 23 HA ARG 5 HA ARG 5 -6.855 4.552 0.796 24 HB2 ARG 5 1HB ARG 5 -6.895 2.987 -1.150 25 HB3 ARG 5 2HB ARG 5 -8.297 2.853 -0.099 26 HG2 ARG 5 1HG ARG 5 -9.267 2.787 -2.175 27 HG3 ARG 5 2HG ARG 5 -9.382 4.506 -1.792 28 HD2 ARG 5 1HD ARG 5 -7.752 5.090 -3.299 29 HD3 ARG 5 2HD ARG 5 -6.962 3.516 -3.215 30 HE ARG 5 HE ARG 5 -9.367 2.988 -4.373 31 HH11 ARG 5 1HH1 ARG 5 -6.753 5.181 -5.066 32 HH12 ARG 5 2HH1 ARG 5 -7.026 5.172 -6.776 33 HH21 ARG 5 1HH2 ARG 5 -9.736 2.969 -6.624 34 HH22 ARG 5 2HH2 ARG 5 -8.723 3.914 -7.662 35 H LYS 6 H LYS 6 -4.944 4.393 -0.628 36 HA LYS 6 HA LYS 6 -4.730 6.111 -2.904 37 HB2 LYS 6 1HB LYS 6 -4.686 7.805 -1.133 38 HB3 LYS 6 2HB LYS 6 -3.363 6.958 -0.342 39 HG2 LYS 6 1HG LYS 6 -1.834 7.552 -1.991 40 HG3 LYS 6 2HG LYS 6 -3.099 7.938 -3.159 41 HD2 LYS 6 1HD LYS 6 -3.741 9.884 -1.841 42 HD3 LYS 6 2HD LYS 6 -2.518 9.486 -0.633 43 HE2 LYS 6 1HE LYS 6 -1.530 11.149 -1.956 44 HE3 LYS 6 2HE LYS 6 -0.831 9.640 -2.541 45 HZ1 LYS 6 3HZ LYS 6 -1.814 9.862 -4.530 46 HZ2 LYS 6 1HZ LYS 6 -1.917 11.500 -4.120 47 HZ3 LYS 6 2HZ LYS 6 -3.250 10.486 -3.890 48 H VAL 7 H VAL 7 -2.693 5.944 -3.959 49 HA VAL 7 HA VAL 7 -1.176 3.573 -3.121 50 HB VAL 7 HB VAL 7 -2.095 3.392 -5.349 51 HG11 VAL 7 1HG1 VAL 7 -0.618 5.957 -5.926 52 HG12 VAL 7 2HG1 VAL 7 -1.401 4.945 -7.142 53 HG13 VAL 7 3HG1 VAL 7 -2.366 5.729 -5.891 54 HG21 VAL 7 3HG2 VAL 7 -0.078 2.900 -6.593 55 HG22 VAL 7 1HG2 VAL 7 0.869 3.924 -5.513 56 HG23 VAL 7 2HG2 VAL 7 0.139 2.438 -4.905 57 H TYR 8 H TYR 8 1.001 3.628 -2.791 58 HA TYR 8 HA TYR 8 2.202 6.290 -2.592 59 HB2 TYR 8 1HB TYR 8 2.249 4.031 -0.922 60 HB3 TYR 8 2HB TYR 8 3.872 4.157 -1.591 61 HD1 TYR 8 HD2 TYR 8 4.336 7.005 -1.784 62 HD2 TYR 8 HD1 TYR 8 2.320 4.812 1.255 63 HE1 TYR 8 HE2 TYR 8 4.872 8.773 -0.161 64 HE2 TYR 8 HE1 TYR 8 2.849 6.576 2.886 65 HH TYR 8 HH TYR 8 5.101 9.050 2.251 66 H GLU 9 H GLU 9 3.676 6.974 -3.993 67 HA GLU 9 HA GLU 9 4.661 5.132 -6.020 68 HB2 GLU 9 1HB GLU 9 5.505 7.172 -7.132 69 HB3 GLU 9 2HB GLU 9 3.782 7.252 -6.794 70 HG2 GLU 9 1HG GLU 9 5.593 8.386 -4.754 71 HG3 GLU 9 2HG GLU 9 5.464 9.254 -6.283 72 H ASN 10 H ASN 10 5.712 6.536 -3.106 73 HA ASN 10 HA ASN 10 8.542 6.311 -3.766 74 HB2 ASN 10 1HB ASN 10 7.307 8.127 -2.251 75 HB3 ASN 10 2HB ASN 10 7.626 6.930 -0.999 76 HD21 ASN 10 2HD2 ASN 10 8.741 9.681 -2.014 77 HD22 ASN 10 1HD2 ASN 10 10.446 9.467 -1.833 78 H TYR 11 H TYR 11 6.471 4.046 -3.334 79 HA TYR 11 HA TYR 11 7.833 2.586 -1.192 80 HB2 TYR 11 1HB TYR 11 5.283 2.743 -1.359 81 HB3 TYR 11 2HB TYR 11 5.417 1.646 -2.728 82 HD1 TYR 11 HD1 TYR 11 6.498 -0.625 -2.344 83 HD2 TYR 11 HD2 TYR 11 5.284 1.923 0.840 84 HE1 TYR 11 HE1 TYR 11 6.516 -2.546 -0.808 85 HE2 TYR 11 HE2 TYR 11 5.300 0.009 2.385 86 HH TYR 11 HH TYR 11 5.175 -3.032 1.545 87 HA PRO 12 HA PRO 12 10.215 0.302 -4.129 88 HB2 PRO 12 1HB PRO 12 11.003 -1.701 -2.476 89 HB3 PRO 12 2HB PRO 12 11.684 -0.071 -2.403 90 HG2 PRO 12 1HG PRO 12 9.563 -1.317 -0.695 91 HG3 PRO 12 2HG PRO 12 10.930 -0.294 -0.214 92 HD2 PRO 12 1HD PRO 12 8.411 0.665 -0.468 93 HD3 PRO 12 2HD PRO 12 9.847 1.651 -0.811 94 H VAL 13 H VAL 13 9.512 -1.032 -5.665 95 HA VAL 13 HA VAL 13 7.162 -2.587 -5.399 96 HB VAL 13 HB VAL 13 9.293 -2.750 -7.535 97 HG11 VAL 13 1HG1 VAL 13 6.607 -3.990 -7.219 98 HG12 VAL 13 2HG1 VAL 13 7.122 -3.491 -8.831 99 HG13 VAL 13 3HG1 VAL 13 8.083 -4.654 -7.917 100 HG21 VAL 13 3HG2 VAL 13 7.051 -1.448 -8.538 101 HG22 VAL 13 1HG2 VAL 13 7.291 -0.754 -6.934 102 HG23 VAL 13 2HG2 VAL 13 8.599 -0.715 -8.117 103 H SER 14 H SER 14 10.552 -3.285 -4.989 104 HA SER 14 HA SER 14 10.423 -6.099 -5.174 105 HB2 SER 14 1HB SER 14 12.370 -4.657 -3.389 106 HB3 SER 14 2HB SER 14 12.621 -6.116 -4.346 107 HG SER 14 HG SER 14 13.050 -3.565 -5.035 108 H LYS 15 H LYS 15 10.347 -3.931 -2.353 109 HA LYS 15 HA LYS 15 9.848 -6.075 -0.515 110 HB2 LYS 15 1HB LYS 15 10.248 -3.166 -0.374 111 HB3 LYS 15 2HB LYS 15 9.137 -3.801 0.832 112 HG2 LYS 15 1HG LYS 15 11.450 -3.678 1.644 113 HG3 LYS 15 2HG LYS 15 10.821 -5.327 1.641 114 HD2 LYS 15 1HD LYS 15 12.043 -5.866 -0.339 115 HD3 LYS 15 2HD LYS 15 12.505 -4.179 -0.579 116 HE2 LYS 15 1HE LYS 15 13.637 -4.375 1.718 117 HE3 LYS 15 2HE LYS 15 13.463 -6.117 1.505 118 HZ1 LYS 15 3HZ LYS 15 14.700 -5.914 -0.588 119 HZ2 LYS 15 1HZ LYS 15 15.614 -5.406 0.742 120 HZ3 LYS 15 2HZ LYS 15 14.924 -4.264 -0.297 121 H CYS 16 H CYS 16 7.931 -4.465 -2.726 122 HA CYS 16 HA CYS 16 5.504 -4.190 -1.306 123 HB2 CYS 16 1HB CYS 16 6.414 -3.674 -3.909 124 HB3 CYS 16 2HB CYS 16 5.087 -4.816 -4.098 125 H GLN 17 H GLN 17 7.050 -6.891 -2.878 126 HA GLN 17 HA GLN 17 4.892 -8.614 -3.204 127 HB2 GLN 17 1HB GLN 17 6.472 -10.386 -3.326 128 HB3 GLN 17 2HB GLN 17 7.261 -8.966 -3.999 129 HG2 GLN 17 1HG GLN 17 8.292 -8.625 -1.714 130 HG3 GLN 17 2HG GLN 17 7.710 -10.243 -1.322 131 HE21 GLN 17 2HE2 GLN 17 9.296 -8.714 -4.108 132 HE22 GLN 17 1HE2 GLN 17 10.542 -9.900 -4.266 133 H LEU 18 H LEU 18 6.522 -7.600 -0.327 134 HA LEU 18 HA LEU 18 5.673 -9.751 1.341 135 HB2 LEU 18 1HB LEU 18 6.875 -7.060 1.776 136 HB3 LEU 18 2HB LEU 18 6.150 -7.899 3.145 137 HG LEU 18 HG LEU 18 8.683 -8.119 2.764 138 HD11 LEU 18 1HD1 LEU 18 7.858 -9.473 4.426 139 HD12 LEU 18 2HD1 LEU 18 8.466 -10.669 3.281 140 HD13 LEU 18 3HD1 LEU 18 6.741 -10.307 3.343 141 HD21 LEU 18 3HD2 LEU 18 7.718 -10.138 0.742 142 HD22 LEU 18 1HD2 LEU 18 9.386 -9.845 1.237 143 HD23 LEU 18 2HD2 LEU 18 8.500 -8.606 0.345 144 H ALA 19 H ALA 19 3.913 -9.929 2.655 145 HA ALA 19 HA ALA 19 1.692 -8.133 2.079 146 HB1 ALA 19 3HB ALA 19 1.751 -10.805 2.250 147 HB2 ALA 19 1HB ALA 19 1.311 -10.417 3.914 148 HB3 ALA 19 2HB ALA 19 0.306 -9.850 2.580 149 H ASN 20 H ASN 20 3.831 -9.002 4.694 150 HA ASN 20 HA ASN 20 2.272 -7.510 6.646 151 HB2 ASN 20 1HB ASN 20 4.763 -9.193 6.805 152 HB3 ASN 20 2HB ASN 20 4.262 -8.171 8.149 153 HD21 ASN 20 2HD2 ASN 20 2.141 -8.545 9.056 154 HD22 ASN 20 1HD2 ASN 20 1.476 -10.140 9.025 155 H GLN 21 H GLN 21 4.734 -6.932 4.401 156 HA GLN 21 HA GLN 21 6.043 -4.819 5.867 157 HB2 GLN 21 1HB GLN 21 7.275 -6.190 4.229 158 HB3 GLN 21 2HB GLN 21 6.240 -5.575 2.947 159 HG2 GLN 21 1HG GLN 21 8.150 -4.290 2.751 160 HG3 GLN 21 2HG GLN 21 7.065 -3.256 3.680 161 HE21 GLN 21 2HE2 GLN 21 9.320 -5.906 4.398 162 HE22 GLN 21 1HE2 GLN 21 10.143 -5.086 5.678 163 H CYS 22 H CYS 22 3.723 -5.075 3.210 164 HA CYS 22 HA CYS 22 3.550 -2.314 2.654 165 HB2 CYS 22 1HB CYS 22 2.279 -4.731 1.767 166 HB3 CYS 22 2HB CYS 22 1.049 -3.510 2.077 167 H ASN 23 H ASN 23 1.162 -4.378 4.324 168 HA ASN 23 HA ASN 23 -0.475 -2.371 5.277 169 HB2 ASN 23 1HB ASN 23 -1.479 -3.979 6.604 170 HB3 ASN 23 2HB ASN 23 -0.663 -4.987 5.413 171 HD21 ASN 23 2HD2 ASN 23 -1.298 -4.717 8.577 172 HD22 ASN 23 1HD2 ASN 23 0.064 -5.550 9.239 173 H TYR 24 H TYR 24 2.599 -3.484 6.508 174 HA TYR 24 HA TYR 24 2.438 -2.224 9.047 175 HB2 TYR 24 1HB TYR 24 4.019 -3.995 8.772 176 HB3 TYR 24 2HB TYR 24 4.776 -3.192 7.400 177 HD1 TYR 24 HD1 TYR 24 3.901 -2.143 10.886 178 HD2 TYR 24 HD2 TYR 24 6.910 -2.489 7.897 179 HE1 TYR 24 HE1 TYR 24 5.523 -1.090 12.406 180 HE2 TYR 24 HE2 TYR 24 8.541 -1.439 9.409 181 HH TYR 24 HH TYR 24 8.525 -1.293 12.318 182 H ASP 25 H ASP 25 4.039 -1.298 6.006 183 HA ASP 25 HA ASP 25 4.950 1.213 6.958 184 HB2 ASP 25 1HB ASP 25 5.736 -0.164 4.900 185 HB3 ASP 25 2HB ASP 25 4.419 0.645 4.057 186 H CYS 26 H CYS 26 1.958 0.107 5.579 187 HA CYS 26 HA CYS 26 0.970 2.735 4.952 188 HB2 CYS 26 1HB CYS 26 -0.238 -0.019 4.982 189 HB3 CYS 26 2HB CYS 26 -1.248 1.407 4.771 190 H LYS 27 H LYS 27 0.164 0.285 7.410 191 HA LYS 27 HA LYS 27 -1.619 1.965 8.839 192 HB2 LYS 27 1HB LYS 27 -0.128 -0.503 9.753 193 HB3 LYS 27 2HB LYS 27 -1.463 0.252 10.614 194 HG2 LYS 27 1HG LYS 27 -3.031 -0.468 9.099 195 HG3 LYS 27 2HG LYS 27 -1.856 -0.610 7.789 196 HD2 LYS 27 1HD LYS 27 -2.299 -2.824 8.335 197 HD3 LYS 27 2HD LYS 27 -0.820 -2.485 9.236 198 HE2 LYS 27 1HE LYS 27 -2.537 -1.795 11.116 199 HE3 LYS 27 2HE LYS 27 -3.604 -2.873 10.217 200 HZ1 LYS 27 3HZ LYS 27 -1.910 -3.679 12.123 201 HZ2 LYS 27 1HZ LYS 27 -0.962 -3.927 10.744 202 HZ3 LYS 27 2HZ LYS 27 -2.472 -4.675 10.876 203 H LEU 28 H LEU 28 1.735 1.962 8.593 204 HA LEU 28 HA LEU 28 2.324 2.867 11.261 205 HB2 LEU 28 1HB LEU 28 4.041 1.685 10.129 206 HB3 LEU 28 2HB LEU 28 3.924 2.734 8.718 207 HG LEU 28 HG LEU 28 4.684 4.052 11.248 208 HD11 LEU 28 1HD1 LEU 28 6.064 2.242 11.663 209 HD12 LEU 28 2HD1 LEU 28 7.106 3.310 10.722 210 HD13 LEU 28 3HD1 LEU 28 6.336 1.925 9.948 211 HD21 LEU 28 3HD2 LEU 28 4.926 4.429 8.391 212 HD22 LEU 28 1HD2 LEU 28 6.476 4.634 9.208 213 HD23 LEU 28 2HD2 LEU 28 5.085 5.600 9.701 214 H ASP 29 H ASP 29 2.658 4.440 8.073 215 HA ASP 29 HA ASP 29 2.478 7.048 9.379 216 HB2 ASP 29 1HB ASP 29 3.484 6.059 6.757 217 HB3 ASP 29 2HB ASP 29 2.867 7.708 6.820 218 H LYS 30 H LYS 30 0.961 5.310 6.665 219 HA LYS 30 HA LYS 30 -1.083 7.255 6.285 220 HB2 LYS 30 1HB LYS 30 -0.394 4.609 5.182 221 HB3 LYS 30 2HB LYS 30 -2.108 4.997 5.160 222 HG2 LYS 30 1HG LYS 30 -0.108 6.957 4.119 223 HG3 LYS 30 2HG LYS 30 -0.640 5.601 3.122 224 HD2 LYS 30 1HD LYS 30 -2.995 6.632 4.146 225 HD3 LYS 30 2HD LYS 30 -2.022 8.066 3.807 226 HE2 LYS 30 1HE LYS 30 -2.796 5.871 1.894 227 HE3 LYS 30 2HE LYS 30 -3.292 7.562 1.848 228 HZ1 LYS 30 3HZ LYS 30 -1.577 7.893 0.504 229 HZ2 LYS 30 1HZ LYS 30 -0.954 6.345 0.780 230 HZ3 LYS 30 2HZ LYS 30 -0.549 7.616 1.817 231 H HIS 31 H HIS 31 -0.599 4.965 8.675 232 HA HIS 31 HA HIS 31 -1.906 4.024 10.289 233 HB2 HIS 31 1HB HIS 31 -3.347 6.605 9.710 234 HB3 HIS 31 2HB HIS 31 -3.891 5.507 10.974 235 HD1 HIS 31 HD1 HIS 31 -1.882 4.914 12.789 236 HD2 HIS 31 HD2 HIS 31 -1.542 8.417 10.581 237 HE1 HIS 31 HE1 HIS 31 -0.249 6.351 14.053 238 H ALA 32 H ALA 32 -2.451 3.302 7.476 239 HA ALA 32 HA ALA 32 -5.198 3.025 6.988 240 HB1 ALA 32 3HB ALA 32 -2.890 2.415 5.627 241 HB2 ALA 32 1HB ALA 32 -3.588 0.829 5.955 242 HB3 ALA 32 2HB ALA 32 -4.532 2.047 5.095 243 H ARG 33 H ARG 33 -5.590 0.307 6.494 244 HA ARG 33 HA ARG 33 -5.422 -0.939 9.149 245 HB2 ARG 33 1HB ARG 33 -7.919 -1.084 7.471 246 HB3 ARG 33 2HB ARG 33 -7.710 -1.549 9.154 247 HG2 ARG 33 1HG ARG 33 -7.549 1.275 8.125 248 HG3 ARG 33 2HG ARG 33 -8.977 0.546 8.864 249 HD2 ARG 33 1HD ARG 33 -6.430 0.382 10.371 250 HD3 ARG 33 2HD ARG 33 -7.195 1.966 10.253 251 HE ARG 33 HE ARG 33 -9.124 0.077 11.015 252 HH11 ARG 33 1HH1 ARG 33 -6.286 1.657 12.266 253 HH12 ARG 33 2HH1 ARG 33 -6.799 1.558 13.918 254 HH21 ARG 33 1HH2 ARG 33 -9.812 -0.058 13.186 255 HH22 ARG 33 2HH2 ARG 33 -8.804 0.581 14.439 256 H SER 34 H SER 34 -6.042 -1.354 5.693 257 HA SER 34 HA SER 34 -4.946 -4.078 5.909 258 HB2 SER 34 1HB SER 34 -7.450 -4.018 5.522 259 HB3 SER 34 2HB SER 34 -7.112 -3.280 3.957 260 HG SER 34 HG SER 34 -7.073 -5.855 4.602 261 H GLY 35 H GLY 35 -3.452 -1.754 5.348 262 HA2 GLY 35 1HA GLY 35 -3.090 -1.077 2.692 263 HA3 GLY 35 2HA GLY 35 -1.805 -1.086 3.892 264 H GLU 36 H GLU 36 -2.528 -2.167 0.938 265 HA GLU 36 HA GLU 36 -0.614 -4.358 1.147 266 HB2 GLU 36 1HB GLU 36 -3.135 -5.119 1.237 267 HB3 GLU 36 2HB GLU 36 -3.064 -4.843 -0.498 268 HG2 GLU 36 1HG GLU 36 -1.463 -6.513 -0.818 269 HG3 GLU 36 2HG GLU 36 -1.047 -6.563 0.895 270 H CYS 37 H CYS 37 -0.066 -5.185 -1.129 271 HA CYS 37 HA CYS 37 0.229 -2.837 -2.870 272 HB2 CYS 37 1HB CYS 37 1.844 -5.375 -2.614 273 HB3 CYS 37 2HB CYS 37 2.075 -4.220 -3.923 274 H PHE 38 H PHE 38 -0.236 -2.938 -5.060 275 HA PHE 38 HA PHE 38 -1.153 -5.348 -6.307 276 HB2 PHE 38 1HB PHE 38 -3.087 -4.265 -4.823 277 HB3 PHE 38 2HB PHE 38 -3.276 -3.261 -6.256 278 HD1 PHE 38 HD2 PHE 38 -2.638 -6.884 -5.610 279 HD2 PHE 38 HD1 PHE 38 -4.977 -3.948 -7.618 280 HE1 PHE 38 HE2 PHE 38 -3.952 -8.668 -6.681 281 HE2 PHE 38 HE1 PHE 38 -6.294 -5.727 -8.691 282 HZ PHE 38 HZ PHE 38 -5.782 -8.090 -8.225 283 H TYR 39 H TYR 39 -1.849 -4.962 -8.567 284 HA TYR 39 HA TYR 39 -0.113 -3.039 -9.800 285 HB2 TYR 39 1HB TYR 39 -0.813 -4.014 -11.895 286 HB3 TYR 39 2HB TYR 39 -0.531 -5.311 -10.738 287 HD1 TYR 39 HD2 TYR 39 -3.109 -3.424 -12.566 288 HD2 TYR 39 HD1 TYR 39 -2.325 -6.720 -9.992 289 HE1 TYR 39 HE2 TYR 39 -5.370 -4.289 -12.995 290 HE2 TYR 39 HE1 TYR 39 -4.584 -7.596 -10.417 291 HH TYR 39 HH TYR 39 -6.315 -7.358 -12.360 292 H ASP 40 H ASP 40 -0.690 -1.296 -11.111 293 HA ASP 40 HA ASP 40 -3.349 -0.187 -10.530 294 HB2 ASP 40 1HB ASP 40 -2.270 1.991 -11.273 295 HB3 ASP 40 2HB ASP 40 -1.659 1.297 -9.774 296 H GLU 41 H GLU 41 -3.797 1.593 -12.425 297 HA GLU 41 HA GLU 41 -4.620 0.063 -14.641 298 HB2 GLU 41 1HB GLU 41 -5.473 2.082 -15.548 299 HB3 GLU 41 2HB GLU 41 -5.653 2.215 -13.805 300 HG2 GLU 41 1HG GLU 41 -3.574 3.558 -13.741 301 HG3 GLU 41 2HG GLU 41 -3.531 3.506 -15.501 302 H LYS 42 H LYS 42 -1.658 1.628 -13.919 303 HA LYS 42 HA LYS 42 -0.802 1.658 -16.712 304 HB2 LYS 42 1HB LYS 42 0.566 2.604 -14.188 305 HB3 LYS 42 2HB LYS 42 1.265 2.715 -15.797 306 HG2 LYS 42 1HG LYS 42 -1.341 4.000 -15.023 307 HG3 LYS 42 2HG LYS 42 0.221 4.818 -14.948 308 HD2 LYS 42 1HD LYS 42 0.399 3.995 -17.443 309 HD3 LYS 42 2HD LYS 42 -1.362 3.949 -17.320 310 HE2 LYS 42 1HE LYS 42 0.127 6.375 -16.412 311 HE3 LYS 42 2HE LYS 42 -0.152 6.117 -18.134 312 HZ1 LYS 42 3HZ LYS 42 -1.911 7.447 -17.223 313 HZ2 LYS 42 1HZ LYS 42 -2.228 6.301 -16.020 314 HZ3 LYS 42 2HZ LYS 42 -2.539 5.931 -17.640 315 H ARG 43 H ARG 43 -1.287 -0.816 -15.067 316 HA ARG 43 HA ARG 43 -0.338 -2.853 -14.681 317 HB2 ARG 43 1HB ARG 43 1.295 -1.887 -17.027 318 HB3 ARG 43 2HB ARG 43 1.421 -3.517 -16.379 319 HG2 ARG 43 1HG ARG 43 -0.076 -3.865 -18.057 320 HG3 ARG 43 2HG ARG 43 -1.184 -3.506 -16.730 321 HD2 ARG 43 1HD ARG 43 -1.604 -1.347 -17.509 322 HD3 ARG 43 2HD ARG 43 -0.160 -1.333 -18.522 323 HE ARG 43 HE ARG 43 -1.691 -3.326 -19.571 324 HH11 ARG 43 1HH1 ARG 43 -2.212 0.044 -18.866 325 HH12 ARG 43 2HH1 ARG 43 -3.352 0.270 -20.152 326 HH21 ARG 43 1HH2 ARG 43 -3.189 -3.040 -21.267 327 HH22 ARG 43 2HH2 ARG 43 -3.907 -1.485 -21.515 328 H ASN 44 H ASN 44 0.711 -0.577 -13.174 329 HA ASN 44 HA ASN 44 3.471 -1.483 -12.697 330 HB2 ASN 44 1HB ASN 44 2.127 1.167 -12.465 331 HB3 ASN 44 2HB ASN 44 3.423 0.802 -11.330 332 HD21 ASN 44 2HD2 ASN 44 5.291 -0.437 -12.640 333 HD22 ASN 44 1HD2 ASN 44 5.859 0.462 -14.002 334 H LEU 45 H LEU 45 4.056 -2.257 -10.738 335 HA LEU 45 HA LEU 45 1.925 -2.818 -8.846 336 HB2 LEU 45 1HB LEU 45 4.790 -3.620 -8.503 337 HB3 LEU 45 2HB LEU 45 3.338 -4.417 -7.901 338 HG LEU 45 HG LEU 45 4.077 -4.309 -10.820 339 HD11 LEU 45 1HD1 LEU 45 4.894 -6.589 -10.563 340 HD12 LEU 45 2HD1 LEU 45 4.618 -6.504 -8.823 341 HD13 LEU 45 3HD1 LEU 45 5.831 -5.468 -9.575 342 HD21 LEU 45 3HD2 LEU 45 2.486 -6.537 -9.898 343 HD22 LEU 45 1HD2 LEU 45 2.159 -5.372 -11.182 344 HD23 LEU 45 2HD2 LEU 45 1.717 -4.996 -9.518 345 H GLN 46 H GLN 46 1.563 -1.681 -7.062 346 HA GLN 46 HA GLN 46 3.763 -0.244 -5.785 347 HB2 GLN 46 1HB GLN 46 1.137 1.087 -6.467 348 HB3 GLN 46 2HB GLN 46 2.489 1.821 -5.617 349 HG2 GLN 46 1HG GLN 46 3.870 1.587 -7.624 350 HG3 GLN 46 2HG GLN 46 2.499 0.877 -8.474 351 HE21 GLN 46 2HE2 GLN 46 4.094 3.724 -7.630 352 HE22 GLN 46 1HE2 GLN 46 2.918 4.850 -8.209 353 H CYS 47 H CYS 47 2.841 0.847 -3.688 354 HA CYS 47 HA CYS 47 1.258 -1.220 -2.325 355 HB2 CYS 47 1HB CYS 47 3.622 -0.622 -1.543 356 HB3 CYS 47 2HB CYS 47 2.932 0.898 -0.984 357 H ILE 48 H ILE 48 -0.825 -0.712 -2.176 358 HA ILE 48 HA ILE 48 -1.600 2.097 -1.852 359 HB ILE 48 HB ILE 48 -3.386 -0.264 -2.440 360 HG12 ILE 48 1HG1 ILE 48 -3.374 1.094 -4.747 361 HG13 ILE 48 2HG1 ILE 48 -1.750 1.493 -4.197 362 HG21 ILE 48 1HG2 ILE 48 -4.450 1.723 -1.400 363 HG22 ILE 48 2HG2 ILE 48 -3.898 2.687 -2.770 364 HG23 ILE 48 3HG2 ILE 48 -5.046 1.373 -3.022 365 HD11 ILE 48 3HD1 ILE 48 -1.007 -0.471 -4.873 366 HD12 ILE 48 1HD1 ILE 48 -2.194 -1.307 -3.871 367 HD13 ILE 48 2HD1 ILE 48 -2.610 -0.826 -5.517 368 H CYS 49 H CYS 49 -2.557 2.852 -0.049 369 HA CYS 49 HA CYS 49 -2.939 0.949 2.160 370 HB2 CYS 49 1HB CYS 49 -2.682 3.946 2.406 371 HB3 CYS 49 2HB CYS 49 -2.515 2.738 3.675 372 H ASP 50 H ASP 50 -4.830 0.901 3.324 373 HA ASP 50 HA ASP 50 -7.060 2.481 2.220 374 HB2 ASP 50 1HB ASP 50 -7.473 -0.152 3.596 375 HB3 ASP 50 2HB ASP 50 -8.501 0.659 2.419 376 H TYR 51 H TYR 51 -7.799 3.953 3.586 377 HA TYR 51 HA TYR 51 -7.626 3.402 6.476 378 HB2 TYR 51 1HB TYR 51 -6.180 5.276 5.624 379 HB3 TYR 51 2HB TYR 51 -7.652 6.128 5.170 380 HD1 TYR 51 HD2 TYR 51 -6.479 4.272 8.204 381 HD2 TYR 51 HD1 TYR 51 -8.187 7.831 6.617 382 HE1 TYR 51 HE2 TYR 51 -6.634 5.203 10.475 383 HE2 TYR 51 HE1 TYR 51 -8.345 8.773 8.884 384 HH TYR 51 HH TYR 51 -7.090 7.016 11.695 385 H CYS 52 H CYS 52 -9.554 2.924 7.279 386 HA CYS 52 HA CYS 52 -11.880 4.484 6.369 387 HB2 CYS 52 1HB CYS 52 -11.650 1.943 5.663 388 HB3 CYS 52 2HB CYS 52 -12.247 1.668 7.296 389 H GLU 53 H GLU 53 -13.353 5.094 7.925 390 HA GLU 53 HA GLU 53 -12.662 4.422 10.708 391 HB2 GLU 53 1HB GLU 53 -11.928 6.690 10.265 392 HB3 GLU 53 2HB GLU 53 -13.500 7.106 9.600 393 HG2 GLU 53 1HG GLU 53 -13.296 8.003 11.818 394 HG3 GLU 53 2HG GLU 53 -14.512 6.726 11.808 395 H TYR 54 H TYR 54 -14.249 3.191 11.469 396 HA TYR 54 HA TYR 54 -16.317 2.433 12.036 397 HB2 TYR 54 1HB TYR 54 -16.447 4.964 12.671 398 HB3 TYR 54 2HB TYR 54 -17.513 5.078 11.273 399 HD1 TYR 54 HD1 TYR 54 -17.088 2.715 14.149 400 HD2 TYR 54 HD2 TYR 54 -19.747 5.073 11.810 401 HE1 TYR 54 HE1 TYR 54 -18.973 1.952 15.534 402 HE2 TYR 54 HE2 TYR 54 -21.639 4.317 13.187 403 HH TYR 54 HH TYR 54 -22.299 2.812 14.741
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