NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
577838 | 2mcr | 19450 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA VAL 1 HA VAL 1 -1.310 12.022 4.137 2 HB VAL 1 HB VAL 1 -2.222 10.862 6.035 3 HG11 VAL 1 HG11 VAL 1 -4.595 12.528 5.303 4 HG12 VAL 1 HG12 VAL 1 -3.021 13.322 5.372 5 HG13 VAL 1 HG13 VAL 1 -3.659 12.503 6.799 6 HG21 VAL 1 HG21 VAL 1 -4.734 10.175 5.851 7 HG22 VAL 1 HG22 VAL 1 -3.520 9.122 5.121 8 HG23 VAL 1 HG23 VAL 1 -4.454 10.227 4.109 9 H CYS 2 H CYS 2 -1.307 9.367 5.197 10 HA CYS 2 HA CYS 2 -0.928 7.786 2.681 11 HB2 CYS 2 HB3 CYS 2 0.869 6.605 3.851 12 HB3 CYS 2 HB2 CYS 2 1.176 8.340 3.914 13 H GLU 3 H GLU 3 -2.225 6.002 2.539 14 HA GLU 3 HA GLU 3 -2.932 4.448 4.902 15 HB2 GLU 3 HB3 GLU 3 -5.290 4.850 4.918 16 HB3 GLU 3 HB2 GLU 3 -4.531 6.443 4.902 17 HG2 GLU 3 HG3 GLU 3 -4.772 6.446 2.392 18 HG3 GLU 3 HG2 GLU 3 -5.721 4.966 2.538 19 H ASP 4 H ASP 4 -4.152 2.489 4.295 20 HA ASP 4 HA ASP 4 -3.233 1.374 1.841 21 HB2 ASP 4 HB3 ASP 4 -4.727 -0.519 2.352 22 HB3 ASP 4 HB2 ASP 4 -3.830 -0.016 3.784 23 H LEU 5 H LEU 5 -4.225 1.115 -0.155 24 HA LEU 5 HA LEU 5 -6.684 2.754 -0.569 25 HB2 LEU 5 HB3 LEU 5 -4.605 1.731 -2.531 26 HB3 LEU 5 HB2 LEU 5 -6.028 2.670 -2.981 27 HG LEU 5 HG LEU 5 -3.869 3.603 -1.062 28 HD11 LEU 5 HD11 LEU 5 -4.028 5.255 -3.346 29 HD12 LEU 5 HD12 LEU 5 -4.024 3.599 -3.954 30 HD13 LEU 5 HD13 LEU 5 -2.711 4.162 -2.917 31 HD21 LEU 5 HD21 LEU 5 -5.719 4.838 -0.423 32 HD22 LEU 5 HD22 LEU 5 -6.492 4.691 -2.000 33 HD23 LEU 5 HD23 LEU 5 -5.164 5.831 -1.770 34 H ASN 6 H ASN 6 -5.342 -0.473 -0.886 35 HA ASN 6 HA ASN 6 -7.910 -1.407 -2.079 36 HB2 ASN 6 HB3 ASN 6 -5.562 -2.003 -3.054 37 HB3 ASN 6 HB2 ASN 6 -5.478 -3.140 -1.706 38 HD21 ASN 6 HD21 ASN 6 -6.324 -5.166 -2.180 39 HD22 ASN 6 HD22 ASN 6 -7.515 -5.482 -3.347 40 H ALA 7 H ALA 7 -9.188 -2.897 -0.961 41 HA ALA 7 HA ALA 7 -8.924 -2.977 1.908 42 HB1 ALA 7 HB1 ALA 7 -10.990 -3.992 1.890 43 HB2 ALA 7 HB2 ALA 7 -10.588 -5.025 0.519 44 HB3 ALA 7 HB3 ALA 7 -11.011 -3.334 0.255 45 H HIS 8 H HIS 8 -7.589 -4.884 -0.623 46 HA HIS 8 HA HIS 8 -7.086 -7.182 1.180 47 HB2 HIS 8 HB3 HIS 8 -6.381 -6.765 -1.742 48 HB3 HIS 8 HB2 HIS 8 -6.151 -8.259 -0.839 49 HD2 HIS 8 HD2 HIS 8 -9.288 -7.653 0.667 50 HE1 HIS 8 HE1 HIS 8 -10.543 -8.713 -3.223 51 HE2 HIS 8 HE2 HIS 8 -11.292 -8.414 -0.818 52 H CYS 9 H CYS 9 -5.741 -4.282 0.978 53 HA CYS 9 HA CYS 9 -3.016 -4.569 0.376 54 HB2 CYS 9 HB3 CYS 9 -4.546 -2.869 2.309 55 HB3 CYS 9 HB2 CYS 9 -2.785 -2.886 2.414 56 H GLU 10 H GLU 10 -4.602 -5.166 3.535 57 HA GLU 10 HA GLU 10 -2.247 -6.100 4.855 58 HB2 GLU 10 HB3 GLU 10 -4.412 -5.510 5.993 59 HB3 GLU 10 HB2 GLU 10 -5.101 -7.002 5.350 60 HG2 GLU 10 HG3 GLU 10 -3.292 -8.284 6.497 61 HG3 GLU 10 HG2 GLU 10 -2.720 -6.777 7.215 62 H MET 11 H MET 11 -4.690 -7.734 2.891 63 HA MET 11 HA MET 11 -3.811 -10.410 3.319 64 HB2 MET 11 HB3 MET 11 -5.123 -9.167 0.890 65 HB3 MET 11 HB2 MET 11 -4.987 -10.899 1.186 66 HG2 MET 11 HG3 MET 11 -6.434 -8.901 2.952 67 HG3 MET 11 HG2 MET 11 -7.197 -10.085 1.891 68 HE1 MET 11 HE1 MET 11 -6.749 -12.390 1.855 69 HE2 MET 11 HE2 MET 11 -6.592 -13.427 3.272 70 HE3 MET 11 HE3 MET 11 -5.146 -12.793 2.490 71 H TRP 12 H TRP 12 -2.688 -7.899 1.097 72 HA TRP 12 HA TRP 12 -0.902 -9.777 -0.290 73 HB2 TRP 12 HB3 TRP 12 -1.049 -6.758 -0.458 74 HB3 TRP 12 HB2 TRP 12 -0.196 -7.814 -1.572 75 HD1 TRP 12 HD1 TRP 12 -2.755 -9.997 -1.413 76 HE1 TRP 12 HE1 TRP 12 -4.763 -9.473 -2.939 77 HE3 TRP 12 HE3 TRP 12 -1.919 -5.038 -2.293 78 HZ2 TRP 12 HZ2 TRP 12 -5.870 -7.241 -4.350 79 HZ3 TRP 12 HZ3 TRP 12 -3.464 -3.737 -3.728 80 HH2 TRP 12 HH2 TRP 12 -5.436 -4.829 -4.757 81 H GLN 13 H GLN 13 -0.548 -7.067 2.005 82 HA GLN 13 HA GLN 13 2.318 -7.165 2.071 83 HB2 GLN 13 HB3 GLN 13 2.173 -5.598 3.794 84 HB3 GLN 13 HB2 GLN 13 0.647 -5.350 2.947 85 HG2 GLN 13 HG3 GLN 13 -0.059 -5.510 5.173 86 HG3 GLN 13 HG2 GLN 13 -0.267 -7.162 4.605 87 HE21 GLN 13 HE21 GLN 13 0.137 -8.158 6.678 88 HE22 GLN 13 HE22 GLN 13 1.664 -8.116 7.420 89 H GLN 14 H GLN 14 -0.193 -8.848 3.900 90 HA GLN 14 HA GLN 14 1.570 -9.978 5.860 91 HB2 GLN 14 HB3 GLN 14 -0.250 -11.328 6.501 92 HB3 GLN 14 HB2 GLN 14 -1.028 -9.895 5.826 93 HG2 GLN 14 HG3 GLN 14 -1.068 -11.146 3.599 94 HG3 GLN 14 HG2 GLN 14 -0.652 -12.592 4.520 95 HE21 GLN 14 HE21 GLN 14 -2.733 -9.975 5.755 96 HE22 GLN 14 HE22 GLN 14 -4.151 -10.903 5.820 97 H LEU 15 H LEU 15 0.880 -10.728 2.542 98 HA LEU 15 HA LEU 15 2.167 -13.379 2.711 99 HB2 LEU 15 HB3 LEU 15 1.091 -11.809 0.354 100 HB3 LEU 15 HB2 LEU 15 1.711 -13.459 0.266 101 HG LEU 15 HG LEU 15 -0.626 -12.552 1.971 102 HD11 LEU 15 HD11 LEU 15 -2.025 -13.727 0.391 103 HD12 LEU 15 HD12 LEU 15 -0.614 -14.318 -0.491 104 HD13 LEU 15 HD13 LEU 15 -1.019 -12.601 -0.523 105 HD21 LEU 15 HD21 LEU 15 0.152 -14.395 3.123 106 HD22 LEU 15 HD22 LEU 15 0.916 -15.093 1.695 107 HD23 LEU 15 HD23 LEU 15 -0.830 -15.214 1.907 108 H GLY 16 H GLY 16 3.173 -10.190 2.477 109 HA2 GLY 16 HA3 GLY 16 5.506 -9.583 2.387 110 HA3 GLY 16 HA2 GLY 16 5.835 -11.085 1.526 111 H HIS 17 H HIS 17 3.098 -9.447 0.297 112 HA HIS 17 HA HIS 17 4.184 -9.092 -2.286 113 HB2 HIS 17 HB3 HIS 17 1.890 -7.749 -0.857 114 HB3 HIS 17 HB2 HIS 17 2.313 -7.320 -2.515 115 HD2 HIS 17 HD2 HIS 17 2.363 -11.046 -1.188 116 HE1 HIS 17 HE1 HIS 17 -0.578 -10.725 -4.200 117 HE2 HIS 17 HE2 HIS 17 0.637 -12.335 -2.660 118 H CYS 18 H CYS 18 4.318 -6.983 0.537 119 HA CYS 18 HA CYS 18 5.339 -4.688 -0.934 120 HB2 CYS 18 HB3 CYS 18 4.959 -5.440 1.930 121 HB3 CYS 18 HB2 CYS 18 6.173 -4.210 1.581 122 H GLN 19 H GLN 19 6.698 -7.347 0.946 123 HA GLN 19 HA GLN 19 9.446 -6.500 0.679 124 HB2 GLN 19 HB3 GLN 19 8.573 -8.106 2.421 125 HB3 GLN 19 HB2 GLN 19 8.383 -9.301 1.137 126 HG2 GLN 19 HG3 GLN 19 10.853 -8.905 0.598 127 HG3 GLN 19 HG2 GLN 19 10.945 -8.041 2.133 128 HE21 GLN 19 HE21 GLN 19 11.984 -9.491 3.540 129 HE22 GLN 19 HE22 GLN 19 11.509 -11.104 3.775 130 H TYR 20 H TYR 20 7.230 -8.471 -1.191 131 HA TYR 20 HA TYR 20 9.386 -9.231 -3.074 132 HB2 TYR 20 HB3 TYR 20 6.460 -10.011 -3.070 133 HB3 TYR 20 HB2 TYR 20 7.744 -10.757 -4.022 134 HD1 TYR 20 HD1 TYR 20 9.951 -10.941 -2.048 135 HD2 TYR 20 HD2 TYR 20 5.743 -11.678 -1.576 136 HE1 TYR 20 HE1 TYR 20 10.431 -12.480 -0.168 137 HE2 TYR 20 HE2 TYR 20 6.230 -13.220 0.305 138 HH TYR 20 HH TYR 20 7.899 -13.759 1.853 139 H SER 21 H SER 21 6.147 -7.678 -3.224 140 HA SER 21 HA SER 21 7.110 -6.322 -5.714 141 HB2 SER 21 HB3 SER 21 5.356 -8.099 -6.090 142 HB3 SER 21 HB2 SER 21 4.249 -7.121 -5.132 143 HG SER 21 HG SER 21 4.558 -6.892 -7.633 144 HA PRO 22 HA PRO 22 5.745 -3.157 -2.571 145 HB2 PRO 22 HB3 PRO 22 8.053 -1.671 -2.670 146 HB3 PRO 22 HB2 PRO 22 7.774 -2.991 -1.519 147 HG2 PRO 22 HG3 PRO 22 9.413 -2.939 -3.977 148 HG3 PRO 22 HG2 PRO 22 9.631 -3.867 -2.486 149 HD2 PRO 22 HD3 PRO 22 8.625 -4.896 -4.871 150 HD3 PRO 22 HD2 PRO 22 8.406 -5.632 -3.271 151 H LYS 23 H LYS 23 6.975 -3.143 -5.788 152 HA LYS 23 HA LYS 23 6.809 -0.391 -6.463 153 HB2 LYS 23 HB3 LYS 23 6.171 -2.757 -8.245 154 HB3 LYS 23 HB2 LYS 23 6.657 -1.146 -8.773 155 HG2 LYS 23 HG3 LYS 23 8.361 -2.944 -7.027 156 HG3 LYS 23 HG2 LYS 23 8.538 -2.808 -8.775 157 HD2 LYS 23 HD3 LYS 23 8.881 -0.331 -8.474 158 HD3 LYS 23 HD2 LYS 23 8.900 -0.599 -6.733 159 HE2 LYS 23 HE3 LYS 23 10.677 -2.408 -8.220 160 HE3 LYS 23 HE2 LYS 23 11.119 -0.705 -8.354 161 HZ1 LYS 23 HZ1 LYS 23 10.454 -1.088 -5.715 162 HZ2 LYS 23 HZ2 LYS 23 12.018 -0.905 -6.352 163 HZ3 LYS 23 HZ3 LYS 23 11.364 -2.458 -6.129 164 H TYR 24 H TYR 24 4.261 -2.859 -6.278 165 HA TYR 24 HA TYR 24 2.312 -0.807 -7.213 166 HB2 TYR 24 HB3 TYR 24 1.872 -3.766 -6.724 167 HB3 TYR 24 HB2 TYR 24 0.768 -2.655 -7.536 168 HD1 TYR 24 HD1 TYR 24 4.171 -4.170 -7.751 169 HD2 TYR 24 HD2 TYR 24 0.990 -2.184 -9.849 170 HE1 TYR 24 HE1 TYR 24 5.316 -4.612 -9.907 171 HE2 TYR 24 HE2 TYR 24 2.137 -2.622 -12.003 172 HH TYR 24 HH TYR 24 5.365 -3.669 -12.187 173 H MET 25 H MET 25 3.397 -2.441 -4.365 174 HA MET 25 HA MET 25 0.929 -2.088 -2.855 175 HB2 MET 25 HB3 MET 25 3.789 -2.568 -1.973 176 HB3 MET 25 HB2 MET 25 2.410 -2.544 -0.882 177 HG2 MET 25 HG3 MET 25 2.716 -4.410 -3.250 178 HG3 MET 25 HG2 MET 25 3.008 -4.856 -1.571 179 HE1 MET 25 HE1 MET 25 1.321 -5.313 0.170 180 HE2 MET 25 HE2 MET 25 -0.355 -4.774 0.146 181 HE3 MET 25 HE3 MET 25 0.940 -3.588 0.169 182 H GLY 26 H GLY 26 3.995 -0.336 -3.189 183 HA2 GLY 26 HA3 GLY 26 3.463 1.686 -1.257 184 HA3 GLY 26 HA2 GLY 26 4.562 1.863 -2.627 185 H HIS 27 H HIS 27 2.347 1.210 -4.527 186 HA HIS 27 HA HIS 27 1.316 3.952 -4.758 187 HB2 HIS 27 HB3 HIS 27 2.171 2.692 -6.742 188 HB3 HIS 27 HB2 HIS 27 0.835 1.558 -6.554 189 HD2 HIS 27 HD2 HIS 27 -1.728 2.605 -7.255 190 HE1 HIS 27 HE1 HIS 27 -0.291 6.278 -8.760 191 HE2 HIS 27 HE2 HIS 27 -2.326 4.776 -8.569 192 H TYR 28 H TYR 28 0.270 0.979 -3.449 193 HA TYR 28 HA TYR 28 -2.547 1.984 -3.434 194 HB2 TYR 28 HB3 TYR 28 -1.423 -0.775 -3.788 195 HB3 TYR 28 HB2 TYR 28 -3.019 -0.571 -3.062 196 HD1 TYR 28 HD2 TYR 28 -0.984 -0.025 -6.098 197 HD2 TYR 28 HD1 TYR 28 -4.897 0.248 -4.348 198 HE1 TYR 28 HE2 TYR 28 -1.967 0.318 -8.351 199 HE2 TYR 28 HE1 TYR 28 -5.879 0.592 -6.600 200 HH TYR 28 HH TYR 28 -5.402 0.267 -8.882 201 H CYS 29 H CYS 29 -0.241 -0.088 -1.651 202 HA CYS 29 HA CYS 29 -1.701 0.641 0.841 203 HB2 CYS 29 HB3 CYS 29 0.403 -1.493 0.646 204 HB3 CYS 29 HB2 CYS 29 -0.945 -1.365 1.775 205 H LYS 30 H LYS 30 -0.771 2.354 1.849 206 HA LYS 30 HA LYS 30 2.111 2.875 1.516 207 HB2 LYS 30 HB3 LYS 30 0.372 4.493 3.335 208 HB3 LYS 30 HB2 LYS 30 1.666 5.028 2.266 209 HG2 LYS 30 HG3 LYS 30 -1.087 4.086 1.410 210 HG3 LYS 30 HG2 LYS 30 -0.504 5.747 1.375 211 HD2 LYS 30 HD3 LYS 30 0.881 3.527 -0.149 212 HD3 LYS 30 HD2 LYS 30 -0.436 4.463 -0.845 213 HE2 LYS 30 HE3 LYS 30 2.193 5.561 0.189 214 HE3 LYS 30 HE2 LYS 30 1.683 5.472 -1.494 215 HZ1 LYS 30 HZ1 LYS 30 0.848 7.491 -1.186 216 HZ2 LYS 30 HZ2 LYS 30 1.021 7.406 0.503 217 HZ3 LYS 30 HZ3 LYS 30 -0.362 6.767 -0.249 218 H LYS 31 H LYS 31 -0.150 2.467 4.255 219 HA LYS 31 HA LYS 31 1.856 2.264 6.288 220 HB2 LYS 31 HB3 LYS 31 -0.980 1.224 6.101 221 HB3 LYS 31 HB2 LYS 31 -0.006 1.096 7.563 222 HG2 LYS 31 HG3 LYS 31 -0.012 3.388 7.937 223 HG3 LYS 31 HG2 LYS 31 -0.260 3.768 6.232 224 HD2 LYS 31 HD3 LYS 31 -2.380 4.200 7.010 225 HD3 LYS 31 HD2 LYS 31 -2.567 2.483 6.673 226 HE2 LYS 31 HE3 LYS 31 -1.900 3.723 9.360 227 HE3 LYS 31 HE2 LYS 31 -3.430 2.977 8.905 228 HZ1 LYS 31 HZ1 LYS 31 -0.959 1.748 9.711 229 HZ2 LYS 31 HZ2 LYS 31 -1.627 1.058 8.308 230 HZ3 LYS 31 HZ3 LYS 31 -2.538 1.129 9.739 231 H ALA 32 H ALA 32 0.037 -0.196 4.498 232 HA ALA 32 HA ALA 32 1.180 -2.492 5.681 233 HB1 ALA 32 HB1 ALA 32 0.645 -2.611 2.763 234 HB2 ALA 32 HB2 ALA 32 -0.698 -2.077 3.779 235 HB3 ALA 32 HB3 ALA 32 0.050 -3.642 4.063 236 H CYS 33 H CYS 33 2.515 -0.222 3.417 237 HA CYS 33 HA CYS 33 4.848 -2.027 2.972 238 HB2 CYS 33 HB3 CYS 33 3.401 -0.222 1.269 239 HB3 CYS 33 HB2 CYS 33 5.059 0.339 1.424 240 H GLY 34 H GLY 34 6.870 -0.323 2.561 241 HA2 GLY 34 HA3 GLY 34 7.332 0.765 5.227 242 HA3 GLY 34 HA2 GLY 34 8.485 0.767 3.895 243 H LEU 35 H LEU 35 5.208 2.112 3.582 244 HA LEU 35 HA LEU 35 6.521 4.750 3.113 245 HB2 LEU 35 HB3 LEU 35 3.658 3.967 2.532 246 HB3 LEU 35 HB2 LEU 35 4.522 5.377 1.923 247 HG LEU 35 HG LEU 35 4.945 2.479 1.205 248 HD11 LEU 35 HD11 LEU 35 4.330 5.014 -0.324 249 HD12 LEU 35 HD12 LEU 35 3.303 3.592 -0.148 250 HD13 LEU 35 HD13 LEU 35 4.779 3.501 -1.107 251 HD21 LEU 35 HD21 LEU 35 7.172 3.237 1.512 252 HD22 LEU 35 HD22 LEU 35 6.799 4.840 0.878 253 HD23 LEU 35 HD23 LEU 35 6.866 3.456 -0.210 254 H CYS 36 H CYS 36 4.347 3.062 5.235 255 HA CYS 36 HA CYS 36 4.391 5.335 7.089 256 HB2 CYS 36 HB3 CYS 36 2.127 4.851 5.336 257 HB3 CYS 36 HB2 CYS 36 1.661 4.692 7.029 Start of MODEL 2 1 HA VAL 1 HA VAL 1 -1.223 11.763 4.397 2 HB VAL 1 HB VAL 1 -3.561 12.472 4.112 3 HG11 VAL 1 HG11 VAL 1 -3.600 11.726 1.664 4 HG12 VAL 1 HG12 VAL 1 -5.054 11.374 2.601 5 HG13 VAL 1 HG13 VAL 1 -3.887 10.093 2.270 6 HG21 VAL 1 HG21 VAL 1 -3.713 9.481 4.376 7 HG22 VAL 1 HG22 VAL 1 -4.495 10.725 5.354 8 HG23 VAL 1 HG23 VAL 1 -2.774 10.396 5.556 9 H CYS 2 H CYS 2 -1.412 9.390 4.898 10 HA CYS 2 HA CYS 2 -0.796 7.697 2.511 11 HB2 CYS 2 HB3 CYS 2 0.988 6.616 3.750 12 HB3 CYS 2 HB2 CYS 2 1.261 8.357 3.813 13 H GLU 3 H GLU 3 -2.139 5.927 2.453 14 HA GLU 3 HA GLU 3 -2.852 4.481 4.871 15 HB2 GLU 3 HB3 GLU 3 -5.183 4.910 4.966 16 HB3 GLU 3 HB2 GLU 3 -4.441 6.504 4.808 17 HG2 GLU 3 HG3 GLU 3 -4.811 6.368 2.334 18 HG3 GLU 3 HG2 GLU 3 -5.681 4.856 2.584 19 H ASP 4 H ASP 4 -4.124 2.521 4.368 20 HA ASP 4 HA ASP 4 -3.281 1.267 1.957 21 HB2 ASP 4 HB3 ASP 4 -4.941 -0.502 2.552 22 HB3 ASP 4 HB2 ASP 4 -3.890 -0.065 3.897 23 H LEU 5 H LEU 5 -4.189 1.188 -0.067 24 HA LEU 5 HA LEU 5 -6.677 2.778 -0.471 25 HB2 LEU 5 HB3 LEU 5 -4.581 1.793 -2.432 26 HB3 LEU 5 HB2 LEU 5 -6.005 2.729 -2.879 27 HG LEU 5 HG LEU 5 -3.898 3.651 -0.906 28 HD11 LEU 5 HD11 LEU 5 -3.913 5.321 -3.151 29 HD12 LEU 5 HD12 LEU 5 -3.999 3.693 -3.822 30 HD13 LEU 5 HD13 LEU 5 -2.672 4.137 -2.747 31 HD21 LEU 5 HD21 LEU 5 -6.490 4.727 -1.931 32 HD22 LEU 5 HD22 LEU 5 -5.177 5.876 -1.675 33 HD23 LEU 5 HD23 LEU 5 -5.759 4.892 -0.334 34 H ASN 6 H ASN 6 -5.326 -0.443 -0.822 35 HA ASN 6 HA ASN 6 -7.876 -1.354 -2.064 36 HB2 ASN 6 HB3 ASN 6 -5.532 -1.956 -3.020 37 HB3 ASN 6 HB2 ASN 6 -5.446 -3.088 -1.669 38 HD21 ASN 6 HD21 ASN 6 -6.429 -5.090 -1.999 39 HD22 ASN 6 HD22 ASN 6 -7.555 -5.430 -3.223 40 H ALA 7 H ALA 7 -9.153 -2.881 -1.011 41 HA ALA 7 HA ALA 7 -8.969 -2.989 1.864 42 HB1 ALA 7 HB1 ALA 7 -10.624 -4.691 -0.027 43 HB2 ALA 7 HB2 ALA 7 -11.121 -3.137 0.643 44 HB3 ALA 7 HB3 ALA 7 -10.889 -4.523 1.708 45 H HIS 8 H HIS 8 -7.578 -4.895 -0.662 46 HA HIS 8 HA HIS 8 -7.110 -7.191 1.154 47 HB2 HIS 8 HB3 HIS 8 -6.408 -6.771 -1.763 48 HB3 HIS 8 HB2 HIS 8 -6.078 -8.243 -0.859 49 HD2 HIS 8 HD2 HIS 8 -9.314 -7.561 0.594 50 HE1 HIS 8 HE1 HIS 8 -10.372 -9.205 -3.149 51 HE2 HIS 8 HE2 HIS 8 -11.225 -8.620 -0.833 52 H CYS 9 H CYS 9 -5.736 -4.298 0.982 53 HA CYS 9 HA CYS 9 -3.011 -4.601 0.414 54 HB2 CYS 9 HB3 CYS 9 -4.531 -2.938 2.393 55 HB3 CYS 9 HB2 CYS 9 -2.770 -2.961 2.470 56 H GLU 10 H GLU 10 -4.679 -5.309 3.498 57 HA GLU 10 HA GLU 10 -2.350 -6.236 4.873 58 HB2 GLU 10 HB3 GLU 10 -4.585 -5.684 5.924 59 HB3 GLU 10 HB2 GLU 10 -5.194 -7.207 5.277 60 HG2 GLU 10 HG3 GLU 10 -4.488 -7.643 7.533 61 HG3 GLU 10 HG2 GLU 10 -3.281 -8.362 6.468 62 H MET 11 H MET 11 -4.735 -7.868 2.831 63 HA MET 11 HA MET 11 -3.818 -10.540 3.214 64 HB2 MET 11 HB3 MET 11 -5.965 -9.823 2.083 65 HB3 MET 11 HB2 MET 11 -4.996 -9.389 0.677 66 HG2 MET 11 HG3 MET 11 -4.129 -11.741 0.616 67 HG3 MET 11 HG2 MET 11 -5.243 -12.143 1.921 68 HE1 MET 11 HE1 MET 11 -7.483 -11.631 2.006 69 HE2 MET 11 HE2 MET 11 -8.624 -12.027 0.723 70 HE3 MET 11 HE3 MET 11 -8.074 -10.364 0.922 71 H TRP 12 H TRP 12 -2.698 -7.946 1.107 72 HA TRP 12 HA TRP 12 -0.861 -9.735 -0.329 73 HB2 TRP 12 HB3 TRP 12 -1.040 -6.717 -0.412 74 HB3 TRP 12 HB2 TRP 12 -0.213 -7.747 -1.565 75 HD1 TRP 12 HD1 TRP 12 -2.815 -9.911 -1.345 76 HE1 TRP 12 HE1 TRP 12 -4.832 -9.356 -2.854 77 HE3 TRP 12 HE3 TRP 12 -1.885 -4.980 -2.283 78 HZ2 TRP 12 HZ2 TRP 12 -5.907 -7.112 -4.272 79 HZ3 TRP 12 HZ3 TRP 12 -3.420 -3.656 -3.714 80 HH2 TRP 12 HH2 TRP 12 -5.429 -4.717 -4.705 81 H GLN 13 H GLN 13 -0.576 -7.090 2.052 82 HA GLN 13 HA GLN 13 2.300 -7.159 2.116 83 HB2 GLN 13 HB3 GLN 13 2.138 -5.595 3.835 84 HB3 GLN 13 HB2 GLN 13 0.604 -5.363 2.998 85 HG2 GLN 13 HG3 GLN 13 -0.084 -5.539 5.228 86 HG3 GLN 13 HG2 GLN 13 -0.276 -7.194 4.655 87 HE21 GLN 13 HE21 GLN 13 0.198 -8.265 6.655 88 HE22 GLN 13 HE22 GLN 13 1.712 -8.169 7.413 89 H GLN 14 H GLN 14 -0.206 -8.879 3.893 90 HA GLN 14 HA GLN 14 1.518 -9.999 5.891 91 HB2 GLN 14 HB3 GLN 14 -0.293 -11.414 6.445 92 HB3 GLN 14 HB2 GLN 14 -1.065 -9.960 5.810 93 HG2 GLN 14 HG3 GLN 14 -1.109 -11.105 3.545 94 HG3 GLN 14 HG2 GLN 14 -0.624 -12.585 4.372 95 HE21 GLN 14 HE21 GLN 14 -2.887 -10.021 5.490 96 HE22 GLN 14 HE22 GLN 14 -4.219 -11.057 5.651 97 H LEU 15 H LEU 15 0.870 -10.806 2.564 98 HA LEU 15 HA LEU 15 2.256 -13.403 2.777 99 HB2 LEU 15 HB3 LEU 15 1.156 -11.887 0.393 100 HB3 LEU 15 HB2 LEU 15 1.845 -13.510 0.317 101 HG LEU 15 HG LEU 15 -0.540 -12.717 2.016 102 HD11 LEU 15 HD11 LEU 15 -0.255 -13.629 -0.783 103 HD12 LEU 15 HD12 LEU 15 -1.585 -12.769 -0.012 104 HD13 LEU 15 HD13 LEU 15 -1.442 -14.520 0.168 105 HD21 LEU 15 HD21 LEU 15 -0.564 -15.447 1.669 106 HD22 LEU 15 HD22 LEU 15 0.078 -14.627 3.093 107 HD23 LEU 15 HD23 LEU 15 1.162 -15.114 1.789 108 H GLY 16 H GLY 16 3.129 -10.168 2.497 109 HA2 GLY 16 HA3 GLY 16 5.435 -9.465 2.452 110 HA3 GLY 16 HA2 GLY 16 5.846 -10.961 1.617 111 H HIS 17 H HIS 17 3.059 -9.412 0.331 112 HA HIS 17 HA HIS 17 4.136 -9.078 -2.252 113 HB2 HIS 17 HB3 HIS 17 1.856 -7.690 -0.847 114 HB3 HIS 17 HB2 HIS 17 2.275 -7.317 -2.520 115 HD2 HIS 17 HD2 HIS 17 2.358 -11.000 -1.110 116 HE1 HIS 17 HE1 HIS 17 -0.643 -10.775 -4.069 117 HE2 HIS 17 HE2 HIS 17 0.615 -12.335 -2.518 118 H CYS 18 H CYS 18 4.330 -6.957 0.541 119 HA CYS 18 HA CYS 18 5.354 -4.682 -0.967 120 HB2 CYS 18 HB3 CYS 18 4.967 -5.391 1.904 121 HB3 CYS 18 HB2 CYS 18 6.206 -4.191 1.542 122 H GLN 19 H GLN 19 6.683 -7.346 0.915 123 HA GLN 19 HA GLN 19 9.449 -6.554 0.638 124 HB2 GLN 19 HB3 GLN 19 8.544 -8.121 2.393 125 HB3 GLN 19 HB2 GLN 19 8.308 -9.321 1.125 126 HG2 GLN 19 HG3 GLN 19 10.720 -9.242 0.599 127 HG3 GLN 19 HG2 GLN 19 10.956 -8.049 1.877 128 HE21 GLN 19 HE21 GLN 19 12.337 -10.499 2.051 129 HE22 GLN 19 HE22 GLN 19 11.681 -11.426 3.312 130 H TYR 20 H TYR 20 7.190 -8.476 -1.241 131 HA TYR 20 HA TYR 20 9.342 -9.281 -3.112 132 HB2 TYR 20 HB3 TYR 20 6.415 -10.058 -2.977 133 HB3 TYR 20 HB2 TYR 20 7.594 -10.731 -4.105 134 HD1 TYR 20 HD1 TYR 20 9.891 -11.486 -2.868 135 HD2 TYR 20 HD2 TYR 20 6.001 -11.308 -1.053 136 HE1 TYR 20 HE1 TYR 20 10.623 -13.110 -1.142 137 HE2 TYR 20 HE2 TYR 20 6.732 -12.936 0.670 138 HH TYR 20 HH TYR 20 9.653 -13.558 1.489 139 H SER 21 H SER 21 6.169 -7.598 -3.216 140 HA SER 21 HA SER 21 7.157 -6.285 -5.716 141 HB2 SER 21 HB3 SER 21 5.281 -8.119 -5.908 142 HB3 SER 21 HB2 SER 21 4.235 -6.829 -5.323 143 HG SER 21 HG SER 21 5.408 -5.565 -7.064 144 HA PRO 22 HA PRO 22 5.736 -3.137 -2.580 145 HB2 PRO 22 HB3 PRO 22 8.001 -1.619 -2.643 146 HB3 PRO 22 HB2 PRO 22 7.793 -2.996 -1.545 147 HG2 PRO 22 HG3 PRO 22 9.296 -2.826 -4.102 148 HG3 PRO 22 HG2 PRO 22 9.698 -3.693 -2.614 149 HD2 PRO 22 HD3 PRO 22 8.648 -4.913 -4.842 150 HD3 PRO 22 HD2 PRO 22 8.434 -5.534 -3.189 151 H LYS 23 H LYS 23 7.046 -3.095 -5.778 152 HA LYS 23 HA LYS 23 6.836 -0.364 -6.472 153 HB2 LYS 23 HB3 LYS 23 7.852 -2.129 -7.903 154 HB3 LYS 23 HB2 LYS 23 6.232 -2.741 -8.249 155 HG2 LYS 23 HG3 LYS 23 5.612 -0.508 -9.159 156 HG3 LYS 23 HG2 LYS 23 7.269 0.035 -8.891 157 HD2 LYS 23 HD3 LYS 23 8.072 -1.811 -10.367 158 HD3 LYS 23 HD2 LYS 23 6.390 -2.227 -10.707 159 HE2 LYS 23 HE3 LYS 23 7.790 0.379 -11.348 160 HE3 LYS 23 HE2 LYS 23 7.162 -0.804 -12.495 161 HZ1 LYS 23 HZ1 LYS 23 5.240 0.266 -12.431 162 HZ2 LYS 23 HZ2 LYS 23 5.805 1.315 -11.218 163 HZ3 LYS 23 HZ3 LYS 23 5.073 -0.158 -10.798 164 H TYR 24 H TYR 24 4.303 -2.843 -6.281 165 HA TYR 24 HA TYR 24 2.340 -0.815 -7.250 166 HB2 TYR 24 HB3 TYR 24 1.910 -3.764 -6.701 167 HB3 TYR 24 HB2 TYR 24 0.818 -2.678 -7.557 168 HD1 TYR 24 HD1 TYR 24 4.058 -4.439 -7.704 169 HD2 TYR 24 HD2 TYR 24 1.245 -2.000 -9.839 170 HE1 TYR 24 HE1 TYR 24 5.260 -4.914 -9.819 171 HE2 TYR 24 HE2 TYR 24 2.445 -2.469 -11.961 172 HH TYR 24 HH TYR 24 5.320 -4.590 -12.007 173 H MET 25 H MET 25 3.426 -2.424 -4.381 174 HA MET 25 HA MET 25 0.951 -2.069 -2.888 175 HB2 MET 25 HB3 MET 25 3.806 -2.536 -1.978 176 HB3 MET 25 HB2 MET 25 2.418 -2.506 -0.898 177 HG2 MET 25 HG3 MET 25 2.764 -4.399 -3.240 178 HG3 MET 25 HG2 MET 25 3.022 -4.823 -1.551 179 HE1 MET 25 HE1 MET 25 -0.406 -4.556 0.086 180 HE2 MET 25 HE2 MET 25 1.068 -3.600 0.137 181 HE3 MET 25 HE3 MET 25 1.166 -5.357 0.158 182 H GLY 26 H GLY 26 4.010 -0.306 -3.221 183 HA2 GLY 26 HA3 GLY 26 3.467 1.715 -1.292 184 HA3 GLY 26 HA2 GLY 26 4.564 1.899 -2.663 185 H HIS 27 H HIS 27 2.299 1.200 -4.530 186 HA HIS 27 HA HIS 27 1.273 3.946 -4.791 187 HB2 HIS 27 HB3 HIS 27 2.096 2.630 -6.764 188 HB3 HIS 27 HB2 HIS 27 0.724 1.542 -6.551 189 HD2 HIS 27 HD2 HIS 27 -1.817 2.685 -7.224 190 HE1 HIS 27 HE1 HIS 27 -0.255 6.273 -8.804 191 HE2 HIS 27 HE2 HIS 27 -2.344 4.856 -8.566 192 H TYR 28 H TYR 28 0.239 1.008 -3.408 193 HA TYR 28 HA TYR 28 -2.570 2.022 -3.378 194 HB2 TYR 28 HB3 TYR 28 -1.473 -0.738 -3.773 195 HB3 TYR 28 HB2 TYR 28 -3.045 -0.539 -2.996 196 HD1 TYR 28 HD2 TYR 28 -1.107 0.019 -6.094 197 HD2 TYR 28 HD1 TYR 28 -4.959 0.316 -4.214 198 HE1 TYR 28 HE2 TYR 28 -2.158 0.390 -8.306 199 HE2 TYR 28 HE1 TYR 28 -6.009 0.689 -6.431 200 HH TYR 28 HH TYR 28 -4.101 1.221 -9.303 201 H CYS 29 H CYS 29 -0.288 -0.108 -1.624 202 HA CYS 29 HA CYS 29 -1.698 0.657 0.885 203 HB2 CYS 29 HB3 CYS 29 0.388 -1.493 0.686 204 HB3 CYS 29 HB2 CYS 29 -0.951 -1.350 1.820 205 H LYS 30 H LYS 30 -0.747 2.364 1.871 206 HA LYS 30 HA LYS 30 2.144 2.844 1.520 207 HB2 LYS 30 HB3 LYS 30 0.465 4.501 3.348 208 HB3 LYS 30 HB2 LYS 30 1.725 5.010 2.229 209 HG2 LYS 30 HG3 LYS 30 -1.070 4.091 1.486 210 HG3 LYS 30 HG2 LYS 30 -0.466 5.741 1.407 211 HD2 LYS 30 HD3 LYS 30 0.871 3.510 -0.129 212 HD3 LYS 30 HD2 LYS 30 -0.504 4.388 -0.790 213 HE2 LYS 30 HE3 LYS 30 2.133 5.584 0.097 214 HE3 LYS 30 HE2 LYS 30 1.544 5.450 -1.558 215 HZ1 LYS 30 HZ1 LYS 30 1.013 7.453 0.349 216 HZ2 LYS 30 HZ2 LYS 30 -0.446 6.696 -0.090 217 HZ3 LYS 30 HZ3 LYS 30 0.549 7.387 -1.280 218 H LYS 31 H LYS 31 -0.119 2.505 4.265 219 HA LYS 31 HA LYS 31 1.868 2.281 6.307 220 HB2 LYS 31 HB3 LYS 31 -0.971 1.254 6.093 221 HB3 LYS 31 HB2 LYS 31 -0.012 1.109 7.563 222 HG2 LYS 31 HG3 LYS 31 0.036 3.419 7.921 223 HG3 LYS 31 HG2 LYS 31 -0.293 3.786 6.228 224 HD2 LYS 31 HD3 LYS 31 -2.418 4.142 6.960 225 HD3 LYS 31 HD2 LYS 31 -2.546 2.388 6.897 226 HE2 LYS 31 HE3 LYS 31 -3.304 3.382 9.074 227 HE3 LYS 31 HE2 LYS 31 -2.010 2.198 9.248 228 HZ1 LYS 31 HZ1 LYS 31 -2.024 4.848 10.088 229 HZ2 LYS 31 HZ2 LYS 31 -0.897 4.751 8.820 230 HZ3 LYS 31 HZ3 LYS 31 -0.743 3.743 10.177 231 H ALA 32 H ALA 32 0.048 -0.185 4.513 232 HA ALA 32 HA ALA 32 1.199 -2.467 5.715 233 HB1 ALA 32 HB1 ALA 32 0.641 -2.619 2.805 234 HB2 ALA 32 HB2 ALA 32 -0.694 -2.072 3.823 235 HB3 ALA 32 HB3 ALA 32 0.057 -3.637 4.121 236 H CYS 33 H CYS 33 2.511 -0.203 3.436 237 HA CYS 33 HA CYS 33 4.855 -1.997 2.995 238 HB2 CYS 33 HB3 CYS 33 3.411 -0.229 1.267 239 HB3 CYS 33 HB2 CYS 33 5.040 0.400 1.462 240 H GLY 34 H GLY 34 6.883 -0.302 2.620 241 HA2 GLY 34 HA3 GLY 34 7.307 0.789 5.287 242 HA3 GLY 34 HA2 GLY 34 8.473 0.811 3.965 243 H LEU 35 H LEU 35 5.202 2.109 3.539 244 HA LEU 35 HA LEU 35 6.488 4.759 3.116 245 HB2 LEU 35 HB3 LEU 35 3.629 3.952 2.556 246 HB3 LEU 35 HB2 LEU 35 4.466 5.377 1.950 247 HG LEU 35 HG LEU 35 4.906 2.488 1.198 248 HD11 LEU 35 HD11 LEU 35 4.743 3.541 -1.103 249 HD12 LEU 35 HD12 LEU 35 4.283 5.039 -0.298 250 HD13 LEU 35 HD13 LEU 35 3.264 3.610 -0.145 251 HD21 LEU 35 HD21 LEU 35 6.756 4.854 0.871 252 HD22 LEU 35 HD22 LEU 35 6.833 3.457 -0.201 253 HD23 LEU 35 HD23 LEU 35 7.133 3.261 1.527 254 H CYS 36 H CYS 36 4.318 3.071 5.248 255 HA CYS 36 HA CYS 36 4.363 5.355 7.087 256 HB2 CYS 36 HB3 CYS 36 2.115 4.863 5.320 257 HB3 CYS 36 HB2 CYS 36 1.631 4.722 7.009 Start of MODEL 3 1 HA VAL 1 HA VAL 1 -0.879 11.147 5.355 2 HB VAL 1 HB VAL 1 -3.116 12.118 5.405 3 HG11 VAL 1 HG11 VAL 1 -3.552 11.808 2.954 4 HG12 VAL 1 HG12 VAL 1 -4.900 11.297 3.970 5 HG13 VAL 1 HG13 VAL 1 -3.825 10.092 3.261 6 HG21 VAL 1 HG21 VAL 1 -4.345 10.200 6.269 7 HG22 VAL 1 HG22 VAL 1 -2.645 10.023 6.707 8 HG23 VAL 1 HG23 VAL 1 -3.313 9.088 5.370 9 H CYS 2 H CYS 2 -0.677 8.899 5.659 10 HA CYS 2 HA CYS 2 -0.586 7.323 3.132 11 HB2 CYS 2 HB3 CYS 2 0.524 5.829 5.247 12 HB3 CYS 2 HB2 CYS 2 1.396 6.638 3.945 13 H GLU 3 H GLU 3 -2.001 5.655 2.839 14 HA GLU 3 HA GLU 3 -3.178 4.230 5.089 15 HB2 GLU 3 HB3 GLU 3 -5.431 4.922 4.876 16 HB3 GLU 3 HB2 GLU 3 -4.514 6.428 4.833 17 HG2 GLU 3 HG3 GLU 3 -4.535 6.277 2.317 18 HG3 GLU 3 HG2 GLU 3 -5.637 4.909 2.463 19 H ASP 4 H ASP 4 -4.381 2.356 4.366 20 HA ASP 4 HA ASP 4 -3.381 1.255 1.913 21 HB2 ASP 4 HB3 ASP 4 -4.922 -0.625 2.386 22 HB3 ASP 4 HB2 ASP 4 -3.969 -0.181 3.803 23 H LEU 5 H LEU 5 -4.371 1.001 -0.086 24 HA LEU 5 HA LEU 5 -6.844 2.624 -0.503 25 HB2 LEU 5 HB3 LEU 5 -4.730 1.703 -2.476 26 HB3 LEU 5 HB2 LEU 5 -6.131 2.691 -2.879 27 HG LEU 5 HG LEU 5 -3.998 3.477 -0.869 28 HD11 LEU 5 HD11 LEU 5 -2.767 4.041 -2.676 29 HD12 LEU 5 HD12 LEU 5 -4.000 5.248 -3.043 30 HD13 LEU 5 HD13 LEU 5 -4.091 3.646 -3.773 31 HD21 LEU 5 HD21 LEU 5 -5.269 5.757 -1.631 32 HD22 LEU 5 HD22 LEU 5 -5.741 4.809 -0.220 33 HD23 LEU 5 HD23 LEU 5 -6.599 4.604 -1.746 34 H ASN 6 H ASN 6 -5.438 -0.561 -0.847 35 HA ASN 6 HA ASN 6 -7.903 -1.518 -2.226 36 HB2 ASN 6 HB3 ASN 6 -5.491 -2.046 -3.049 37 HB3 ASN 6 HB2 ASN 6 -5.447 -3.185 -1.703 38 HD21 ASN 6 HD21 ASN 6 -6.321 -5.220 -2.117 39 HD22 ASN 6 HD22 ASN 6 -7.359 -5.586 -3.409 40 H ALA 7 H ALA 7 -9.220 -3.075 -1.244 41 HA ALA 7 HA ALA 7 -9.238 -3.205 1.622 42 HB1 ALA 7 HB1 ALA 7 -10.678 -5.425 0.721 43 HB2 ALA 7 HB2 ALA 7 -10.831 -4.252 -0.586 44 HB3 ALA 7 HB3 ALA 7 -11.336 -3.822 1.047 45 H HIS 8 H HIS 8 -7.714 -5.131 -0.847 46 HA HIS 8 HA HIS 8 -7.027 -7.265 1.087 47 HB2 HIS 8 HB3 HIS 8 -6.508 -6.953 -1.884 48 HB3 HIS 8 HB2 HIS 8 -5.961 -8.329 -0.932 49 HD2 HIS 8 HD2 HIS 8 -9.068 -8.114 0.781 50 HE1 HIS 8 HE1 HIS 8 -10.359 -9.684 -2.919 51 HE2 HIS 8 HE2 HIS 8 -10.997 -9.317 -0.493 52 H CYS 9 H CYS 9 -5.941 -4.345 0.930 53 HA CYS 9 HA CYS 9 -3.205 -4.345 0.227 54 HB2 CYS 9 HB3 CYS 9 -4.954 -2.785 2.028 55 HB3 CYS 9 HB2 CYS 9 -3.245 -2.756 2.457 56 H GLU 10 H GLU 10 -4.589 -4.891 3.478 57 HA GLU 10 HA GLU 10 -2.144 -5.748 4.675 58 HB2 GLU 10 HB3 GLU 10 -5.041 -6.297 5.369 59 HB3 GLU 10 HB2 GLU 10 -3.689 -6.770 6.399 60 HG2 GLU 10 HG3 GLU 10 -2.961 -4.410 6.517 61 HG3 GLU 10 HG2 GLU 10 -4.323 -3.944 5.499 62 H MET 11 H MET 11 -4.669 -7.461 2.917 63 HA MET 11 HA MET 11 -3.821 -10.126 3.504 64 HB2 MET 11 HB3 MET 11 -5.992 -9.476 2.414 65 HB3 MET 11 HB2 MET 11 -5.087 -9.132 0.941 66 HG2 MET 11 HG3 MET 11 -4.231 -11.473 0.964 67 HG3 MET 11 HG2 MET 11 -5.256 -11.802 2.363 68 HE1 MET 11 HE1 MET 11 -8.762 -11.565 1.293 69 HE2 MET 11 HE2 MET 11 -8.026 -9.974 1.460 70 HE3 MET 11 HE3 MET 11 -7.537 -11.278 2.539 71 H TRP 12 H TRP 12 -2.680 -7.714 1.224 72 HA TRP 12 HA TRP 12 -0.970 -9.632 -0.201 73 HB2 TRP 12 HB3 TRP 12 -1.110 -6.612 -0.358 74 HB3 TRP 12 HB2 TRP 12 -0.238 -7.652 -1.471 75 HD1 TRP 12 HD1 TRP 12 -2.870 -9.820 -1.176 76 HE1 TRP 12 HE1 TRP 12 -4.840 -9.338 -2.767 77 HE3 TRP 12 HE3 TRP 12 -1.855 -4.969 -2.391 78 HZ2 TRP 12 HZ2 TRP 12 -5.854 -7.176 -4.344 79 HZ3 TRP 12 HZ3 TRP 12 -3.333 -3.721 -3.935 80 HH2 TRP 12 HH2 TRP 12 -5.331 -4.817 -4.912 81 H GLN 13 H GLN 13 -0.512 -6.944 2.107 82 HA GLN 13 HA GLN 13 2.355 -7.091 2.092 83 HB2 GLN 13 HB3 GLN 13 2.284 -5.539 3.839 84 HB3 GLN 13 HB2 GLN 13 0.748 -5.248 3.027 85 HG2 GLN 13 HG3 GLN 13 0.114 -5.405 5.280 86 HG3 GLN 13 HG2 GLN 13 -0.193 -7.032 4.681 87 HE21 GLN 13 HE21 GLN 13 0.235 -8.135 6.681 88 HE22 GLN 13 HE22 GLN 13 1.773 -8.169 7.393 89 H GLN 14 H GLN 14 -0.135 -8.742 3.974 90 HA GLN 14 HA GLN 14 1.624 -9.904 5.906 91 HB2 GLN 14 HB3 GLN 14 -0.193 -11.276 6.518 92 HB3 GLN 14 HB2 GLN 14 -0.968 -9.827 5.876 93 HG2 GLN 14 HG3 GLN 14 -1.019 -11.022 3.624 94 HG3 GLN 14 HG2 GLN 14 -0.589 -12.490 4.501 95 HE21 GLN 14 HE21 GLN 14 -2.678 -9.931 5.838 96 HE22 GLN 14 HE22 GLN 14 -4.088 -10.872 5.879 97 H LEU 15 H LEU 15 0.812 -10.753 2.600 98 HA LEU 15 HA LEU 15 2.172 -13.357 2.774 99 HB2 LEU 15 HB3 LEU 15 1.113 -11.818 0.389 100 HB3 LEU 15 HB2 LEU 15 1.696 -13.481 0.347 101 HG LEU 15 HG LEU 15 -0.652 -12.461 1.970 102 HD11 LEU 15 HD11 LEU 15 -0.952 -14.562 -0.101 103 HD12 LEU 15 HD12 LEU 15 -0.619 -12.935 -0.701 104 HD13 LEU 15 HD13 LEU 15 -2.030 -13.229 0.314 105 HD21 LEU 15 HD21 LEU 15 0.157 -14.251 3.235 106 HD22 LEU 15 HD22 LEU 15 0.796 -15.089 1.820 107 HD23 LEU 15 HD23 LEU 15 -0.939 -15.078 2.128 108 H GLY 16 H GLY 16 3.141 -10.156 2.509 109 HA2 GLY 16 HA3 GLY 16 5.478 -9.543 2.439 110 HA3 GLY 16 HA2 GLY 16 5.810 -11.028 1.553 111 H HIS 17 H HIS 17 3.061 -9.408 0.338 112 HA HIS 17 HA HIS 17 4.113 -9.022 -2.237 113 HB2 HIS 17 HB3 HIS 17 1.882 -7.606 -0.778 114 HB3 HIS 17 HB2 HIS 17 2.281 -7.231 -2.455 115 HD2 HIS 17 HD2 HIS 17 2.287 -10.926 -1.058 116 HE1 HIS 17 HE1 HIS 17 -0.762 -10.590 -3.960 117 HE2 HIS 17 HE2 HIS 17 0.465 -12.198 -2.428 118 H CYS 18 H CYS 18 4.309 -6.885 0.574 119 HA CYS 18 HA CYS 18 5.393 -4.656 -0.954 120 HB2 CYS 18 HB3 CYS 18 4.980 -5.304 1.931 121 HB3 CYS 18 HB2 CYS 18 6.198 -4.091 1.542 122 H GLN 19 H GLN 19 6.673 -7.300 1.003 123 HA GLN 19 HA GLN 19 9.437 -6.509 0.763 124 HB2 GLN 19 HB3 GLN 19 8.515 -8.090 2.501 125 HB3 GLN 19 HB2 GLN 19 8.326 -9.294 1.227 126 HG2 GLN 19 HG3 GLN 19 10.763 -9.101 0.729 127 HG3 GLN 19 HG2 GLN 19 10.926 -7.991 2.091 128 HE21 GLN 19 HE21 GLN 19 8.560 -9.999 3.138 129 HE22 GLN 19 HE22 GLN 19 9.489 -11.200 3.897 130 H TYR 20 H TYR 20 7.215 -8.440 -1.149 131 HA TYR 20 HA TYR 20 9.399 -9.221 -2.996 132 HB2 TYR 20 HB3 TYR 20 6.478 -10.012 -2.887 133 HB3 TYR 20 HB2 TYR 20 7.642 -10.633 -4.056 134 HD1 TYR 20 HD1 TYR 20 9.927 -11.511 -2.926 135 HD2 TYR 20 HD2 TYR 20 6.111 -11.273 -0.970 136 HE1 TYR 20 HE1 TYR 20 10.657 -13.225 -1.285 137 HE2 TYR 20 HE2 TYR 20 6.844 -12.980 0.671 138 HH TYR 20 HH TYR 20 10.152 -14.281 0.621 139 H SER 21 H SER 21 6.199 -7.582 -3.156 140 HA SER 21 HA SER 21 7.199 -6.243 -5.641 141 HB2 SER 21 HB3 SER 21 5.397 -8.075 -5.933 142 HB3 SER 21 HB2 SER 21 4.296 -6.915 -5.192 143 HG SER 21 HG SER 21 4.166 -6.332 -7.245 144 HA PRO 22 HA PRO 22 5.721 -3.091 -2.546 145 HB2 PRO 22 HB3 PRO 22 8.004 -1.581 -2.556 146 HB3 PRO 22 HB2 PRO 22 7.730 -2.932 -1.441 147 HG2 PRO 22 HG3 PRO 22 9.390 -2.806 -3.889 148 HG3 PRO 22 HG2 PRO 22 9.638 -3.724 -2.396 149 HD2 PRO 22 HD3 PRO 22 8.678 -4.806 -4.767 150 HD3 PRO 22 HD2 PRO 22 8.437 -5.523 -3.161 151 H LYS 23 H LYS 23 7.029 -3.078 -5.732 152 HA LYS 23 HA LYS 23 6.812 -0.316 -6.407 153 HB2 LYS 23 HB3 LYS 23 6.317 -2.678 -8.240 154 HB3 LYS 23 HB2 LYS 23 6.816 -1.055 -8.714 155 HG2 LYS 23 HG3 LYS 23 8.429 -2.951 -6.983 156 HG3 LYS 23 HG2 LYS 23 8.738 -2.609 -8.686 157 HD2 LYS 23 HD3 LYS 23 8.897 -0.141 -7.993 158 HD3 LYS 23 HD2 LYS 23 8.984 -0.731 -6.333 159 HE2 LYS 23 HE3 LYS 23 11.206 -0.966 -6.670 160 HE3 LYS 23 HE2 LYS 23 10.797 -2.343 -7.694 161 HZ1 LYS 23 HZ1 LYS 23 12.105 -0.929 -9.006 162 HZ2 LYS 23 HZ2 LYS 23 11.268 0.463 -8.508 163 HZ3 LYS 23 HZ3 LYS 23 10.515 -0.666 -9.530 164 H TYR 24 H TYR 24 4.392 -2.887 -6.265 165 HA TYR 24 HA TYR 24 2.358 -0.986 -7.325 166 HB2 TYR 24 HB3 TYR 24 2.120 -3.958 -6.763 167 HB3 TYR 24 HB2 TYR 24 0.936 -2.953 -7.603 168 HD1 TYR 24 HD2 TYR 24 4.392 -4.315 -7.782 169 HD2 TYR 24 HD1 TYR 24 1.205 -2.365 -9.906 170 HE1 TYR 24 HE2 TYR 24 5.598 -4.670 -9.920 171 HE2 TYR 24 HE1 TYR 24 2.414 -2.718 -12.041 172 HH TYR 24 HH TYR 24 5.365 -4.645 -12.187 173 H MET 25 H MET 25 3.473 -2.384 -4.379 174 HA MET 25 HA MET 25 0.924 -2.110 -2.956 175 HB2 MET 25 HB3 MET 25 3.766 -2.550 -2.008 176 HB3 MET 25 HB2 MET 25 2.389 -2.449 -0.921 177 HG2 MET 25 HG3 MET 25 2.608 -4.425 -3.207 178 HG3 MET 25 HG2 MET 25 2.994 -4.804 -1.528 179 HE1 MET 25 HE1 MET 25 1.435 -5.210 0.301 180 HE2 MET 25 HE2 MET 25 -0.246 -4.694 0.375 181 HE3 MET 25 HE3 MET 25 1.032 -3.491 0.293 182 H GLY 26 H GLY 26 3.946 -0.291 -3.264 183 HA2 GLY 26 HA3 GLY 26 3.349 1.743 -1.370 184 HA3 GLY 26 HA2 GLY 26 4.454 1.928 -2.733 185 H HIS 27 H HIS 27 2.238 1.187 -4.621 186 HA HIS 27 HA HIS 27 1.171 3.912 -4.903 187 HB2 HIS 27 HB3 HIS 27 2.052 2.649 -6.864 188 HB3 HIS 27 HB2 HIS 27 0.750 1.478 -6.656 189 HD2 HIS 27 HD2 HIS 27 -1.897 2.564 -7.161 190 HE1 HIS 27 HE1 HIS 27 -0.469 6.033 -9.094 191 HE2 HIS 27 HE2 HIS 27 -2.529 4.632 -8.617 192 H TYR 28 H TYR 28 0.193 1.017 -3.449 193 HA TYR 28 HA TYR 28 -2.644 1.958 -3.470 194 HB2 TYR 28 HB3 TYR 28 -1.511 -0.793 -3.832 195 HB3 TYR 28 HB2 TYR 28 -3.096 -0.598 -3.079 196 HD1 TYR 28 HD2 TYR 28 -1.127 -0.104 -6.154 197 HD2 TYR 28 HD1 TYR 28 -4.996 0.282 -4.323 198 HE1 TYR 28 HE2 TYR 28 -2.150 0.247 -8.387 199 HE2 TYR 28 HE1 TYR 28 -6.017 0.632 -6.557 200 HH TYR 28 HH TYR 28 -4.305 1.435 -9.249 201 H CYS 29 H CYS 29 -0.273 -0.028 -1.671 202 HA CYS 29 HA CYS 29 -1.758 0.699 0.811 203 HB2 CYS 29 HB3 CYS 29 0.337 -1.447 0.608 204 HB3 CYS 29 HB2 CYS 29 -0.963 -1.290 1.783 205 H LYS 30 H LYS 30 -0.820 2.417 1.810 206 HA LYS 30 HA LYS 30 2.068 2.919 1.479 207 HB2 LYS 30 HB3 LYS 30 0.364 4.564 3.298 208 HB3 LYS 30 HB2 LYS 30 1.635 5.077 2.192 209 HG2 LYS 30 HG3 LYS 30 -1.149 4.154 1.423 210 HG3 LYS 30 HG2 LYS 30 -0.539 5.803 1.332 211 HD2 LYS 30 HD3 LYS 30 0.771 3.524 -0.170 212 HD3 LYS 30 HD2 LYS 30 -0.550 4.464 -0.854 213 HE2 LYS 30 HE3 LYS 30 2.130 5.528 0.072 214 HE3 LYS 30 HE2 LYS 30 1.545 5.442 -1.587 215 HZ1 LYS 30 HZ1 LYS 30 1.059 7.429 0.378 216 HZ2 LYS 30 HZ2 LYS 30 -0.406 6.779 -0.185 217 HZ3 LYS 30 HZ3 LYS 30 0.705 7.453 -1.279 218 H LYS 31 H LYS 31 -0.206 2.534 4.209 219 HA LYS 31 HA LYS 31 1.821 2.319 6.216 220 HB2 LYS 31 HB3 LYS 31 -1.055 1.439 6.053 221 HB3 LYS 31 HB2 LYS 31 -0.081 1.158 7.494 222 HG2 LYS 31 HG3 LYS 31 0.148 3.435 7.953 223 HG3 LYS 31 HG2 LYS 31 -0.140 3.902 6.278 224 HD2 LYS 31 HD3 LYS 31 -2.229 4.404 6.985 225 HD3 LYS 31 HD2 LYS 31 -2.509 2.666 6.935 226 HE2 LYS 31 HE3 LYS 31 -1.440 2.755 9.357 227 HE3 LYS 31 HE2 LYS 31 -1.974 4.437 9.289 228 HZ1 LYS 31 HZ1 LYS 31 -3.975 3.699 9.836 229 HZ2 LYS 31 HZ2 LYS 31 -3.512 2.076 9.649 230 HZ3 LYS 31 HZ3 LYS 31 -4.073 2.962 8.313 231 H ALA 32 H ALA 32 -0.006 -0.134 4.421 232 HA ALA 32 HA ALA 32 1.113 -2.423 5.659 233 HB1 ALA 32 HB1 ALA 32 -0.752 -1.996 3.719 234 HB2 ALA 32 HB2 ALA 32 -0.075 -3.574 4.096 235 HB3 ALA 32 HB3 ALA 32 0.582 -2.635 2.758 236 H CYS 33 H CYS 33 2.512 -0.147 3.464 237 HA CYS 33 HA CYS 33 4.799 -2.001 2.963 238 HB2 CYS 33 HB3 CYS 33 3.402 -0.151 1.288 239 HB3 CYS 33 HB2 CYS 33 5.047 0.432 1.497 240 H GLY 34 H GLY 34 6.898 -0.391 2.650 241 HA2 GLY 34 HA3 GLY 34 7.367 0.606 5.343 242 HA3 GLY 34 HA2 GLY 34 8.530 0.632 4.021 243 H LEU 35 H LEU 35 5.615 1.985 3.026 244 HA LEU 35 HA LEU 35 6.781 4.629 2.834 245 HB2 LEU 35 HB3 LEU 35 3.860 3.875 2.522 246 HB3 LEU 35 HB2 LEU 35 4.666 5.301 1.866 247 HG LEU 35 HG LEU 35 4.987 2.422 1.038 248 HD11 LEU 35 HD11 LEU 35 3.290 3.583 -0.169 249 HD12 LEU 35 HD12 LEU 35 4.699 3.540 -1.227 250 HD13 LEU 35 HD13 LEU 35 4.300 5.015 -0.351 251 HD21 LEU 35 HD21 LEU 35 7.250 3.155 1.238 252 HD22 LEU 35 HD22 LEU 35 6.867 4.746 0.583 253 HD23 LEU 35 HD23 LEU 35 6.838 3.330 -0.467 254 H CYS 36 H CYS 36 4.438 3.103 5.009 255 HA CYS 36 HA CYS 36 4.906 5.272 6.953 256 HB2 CYS 36 HB3 CYS 36 2.568 5.163 5.259 257 HB3 CYS 36 HB2 CYS 36 2.103 4.986 6.951 Start of MODEL 4 1 HA VAL 1 HA VAL 1 -1.380 11.500 4.878 2 HB VAL 1 HB VAL 1 -3.092 12.158 2.516 3 HG11 VAL 1 HG11 VAL 1 -3.432 9.772 4.333 4 HG12 VAL 1 HG12 VAL 1 -3.576 9.845 2.576 5 HG13 VAL 1 HG13 VAL 1 -4.824 10.562 3.594 6 HG21 VAL 1 HG21 VAL 1 -3.146 13.606 4.474 7 HG22 VAL 1 HG22 VAL 1 -3.432 12.224 5.532 8 HG23 VAL 1 HG23 VAL 1 -4.672 12.725 4.384 9 H CYS 2 H CYS 2 -1.370 9.259 5.101 10 HA CYS 2 HA CYS 2 -0.750 7.656 2.658 11 HB2 CYS 2 HB3 CYS 2 1.046 6.538 3.735 12 HB3 CYS 2 HB2 CYS 2 1.293 8.236 4.131 13 H GLU 3 H GLU 3 -2.125 5.929 2.510 14 HA GLU 3 HA GLU 3 -2.992 4.471 4.881 15 HB2 GLU 3 HB3 GLU 3 -5.315 4.980 4.821 16 HB3 GLU 3 HB2 GLU 3 -4.500 6.543 4.748 17 HG2 GLU 3 HG3 GLU 3 -4.696 6.462 2.248 18 HG3 GLU 3 HG2 GLU 3 -5.658 4.992 2.413 19 H ASP 4 H ASP 4 -4.266 2.552 4.290 20 HA ASP 4 HA ASP 4 -3.329 1.341 1.878 21 HB2 ASP 4 HB3 ASP 4 -4.884 -0.502 2.437 22 HB3 ASP 4 HB2 ASP 4 -3.950 0.007 3.844 23 H LEU 5 H LEU 5 -4.313 1.040 -0.110 24 HA LEU 5 HA LEU 5 -6.763 2.679 -0.579 25 HB2 LEU 5 HB3 LEU 5 -4.628 1.707 -2.502 26 HB3 LEU 5 HB2 LEU 5 -6.039 2.660 -2.962 27 HG LEU 5 HG LEU 5 -3.940 3.544 -0.953 28 HD11 LEU 5 HD11 LEU 5 -4.022 3.634 -3.862 29 HD12 LEU 5 HD12 LEU 5 -2.708 4.073 -2.769 30 HD13 LEU 5 HD13 LEU 5 -3.953 5.255 -3.170 31 HD21 LEU 5 HD21 LEU 5 -5.753 4.823 -0.351 32 HD22 LEU 5 HD22 LEU 5 -6.543 4.621 -1.914 33 HD23 LEU 5 HD23 LEU 5 -5.229 5.784 -1.736 34 H ASN 6 H ASN 6 -5.400 -0.534 -0.845 35 HA ASN 6 HA ASN 6 -7.890 -1.476 -2.185 36 HB2 ASN 6 HB3 ASN 6 -5.530 -2.063 -3.054 37 HB3 ASN 6 HB2 ASN 6 -5.436 -3.148 -1.663 38 HD21 ASN 6 HD21 ASN 6 -6.265 -5.205 -2.013 39 HD22 ASN 6 HD22 ASN 6 -7.380 -5.614 -3.224 40 H ALA 7 H ALA 7 -9.202 -3.041 -1.188 41 HA ALA 7 HA ALA 7 -9.182 -3.113 1.692 42 HB1 ALA 7 HB1 ALA 7 -10.802 -5.173 1.118 43 HB2 ALA 7 HB2 ALA 7 -10.757 -4.428 -0.478 44 HB3 ALA 7 HB3 ALA 7 -11.319 -3.500 0.910 45 H HIS 8 H HIS 8 -7.701 -5.075 -0.770 46 HA HIS 8 HA HIS 8 -7.072 -7.228 1.169 47 HB2 HIS 8 HB3 HIS 8 -6.436 -6.932 -1.782 48 HB3 HIS 8 HB2 HIS 8 -6.020 -8.336 -0.806 49 HD2 HIS 8 HD2 HIS 8 -9.243 -7.825 0.686 50 HE1 HIS 8 HE1 HIS 8 -10.323 -9.547 -3.016 51 HE2 HIS 8 HE2 HIS 8 -11.138 -8.990 -0.679 52 H CYS 9 H CYS 9 -5.954 -4.313 0.981 53 HA CYS 9 HA CYS 9 -3.231 -4.331 0.285 54 HB2 CYS 9 HB3 CYS 9 -4.957 -2.753 2.083 55 HB3 CYS 9 HB2 CYS 9 -3.247 -2.740 2.515 56 H GLU 10 H GLU 10 -4.581 -4.912 3.546 57 HA GLU 10 HA GLU 10 -2.107 -5.754 4.696 58 HB2 GLU 10 HB3 GLU 10 -4.988 -6.307 5.433 59 HB3 GLU 10 HB2 GLU 10 -3.625 -6.820 6.430 60 HG2 GLU 10 HG3 GLU 10 -2.863 -4.468 6.579 61 HG3 GLU 10 HG2 GLU 10 -4.254 -3.967 5.615 62 H MET 11 H MET 11 -4.641 -7.507 2.968 63 HA MET 11 HA MET 11 -3.726 -10.146 3.571 64 HB2 MET 11 HB3 MET 11 -5.937 -9.563 2.513 65 HB3 MET 11 HB2 MET 11 -5.066 -9.242 1.013 66 HG2 MET 11 HG3 MET 11 -4.156 -11.567 1.088 67 HG3 MET 11 HG2 MET 11 -5.141 -11.873 2.518 68 HE1 MET 11 HE1 MET 11 -5.227 -12.046 -1.465 69 HE2 MET 11 HE2 MET 11 -5.037 -10.400 -0.868 70 HE3 MET 11 HE3 MET 11 -6.515 -10.859 -1.706 71 H TRP 12 H TRP 12 -2.694 -7.764 1.197 72 HA TRP 12 HA TRP 12 -0.975 -9.678 -0.211 73 HB2 TRP 12 HB3 TRP 12 -1.129 -6.659 -0.381 74 HB3 TRP 12 HB2 TRP 12 -0.249 -7.696 -1.494 75 HD1 TRP 12 HD1 TRP 12 -2.834 -9.897 -1.253 76 HE1 TRP 12 HE1 TRP 12 -4.832 -9.411 -2.808 77 HE3 TRP 12 HE3 TRP 12 -1.931 -4.992 -2.331 78 HZ2 TRP 12 HZ2 TRP 12 -5.905 -7.224 -4.312 79 HZ3 TRP 12 HZ3 TRP 12 -3.455 -3.732 -3.826 80 HH2 TRP 12 HH2 TRP 12 -5.440 -4.842 -4.815 81 H GLN 13 H GLN 13 -0.531 -7.003 2.101 82 HA GLN 13 HA GLN 13 2.338 -7.105 2.063 83 HB2 GLN 13 HB3 GLN 13 2.254 -5.532 3.775 84 HB3 GLN 13 HB2 GLN 13 0.681 -5.301 3.017 85 HG2 GLN 13 HG3 GLN 13 0.120 -5.463 5.287 86 HG3 GLN 13 HG2 GLN 13 -0.128 -7.109 4.721 87 HE21 GLN 13 HE21 GLN 13 0.387 -8.105 6.773 88 HE22 GLN 13 HE22 GLN 13 1.959 -8.084 7.418 89 H GLN 14 H GLN 14 -0.114 -8.801 3.966 90 HA GLN 14 HA GLN 14 1.711 -9.929 5.867 91 HB2 GLN 14 HB3 GLN 14 -0.075 -11.287 6.561 92 HB3 GLN 14 HB2 GLN 14 -0.890 -9.873 5.895 93 HG2 GLN 14 HG3 GLN 14 -0.967 -11.149 3.681 94 HG3 GLN 14 HG2 GLN 14 -0.511 -12.576 4.610 95 HE21 GLN 14 HE21 GLN 14 -2.622 -9.939 5.778 96 HE22 GLN 14 HE22 GLN 14 -4.013 -10.901 5.931 97 H LEU 15 H LEU 15 0.902 -10.717 2.570 98 HA LEU 15 HA LEU 15 2.239 -13.342 2.700 99 HB2 LEU 15 HB3 LEU 15 1.160 -11.774 0.340 100 HB3 LEU 15 HB2 LEU 15 1.750 -13.433 0.272 101 HG LEU 15 HG LEU 15 -0.617 -12.435 1.883 102 HD11 LEU 15 HD11 LEU 15 -0.456 -14.348 -0.466 103 HD12 LEU 15 HD12 LEU 15 -0.988 -12.669 -0.570 104 HD13 LEU 15 HD13 LEU 15 -1.926 -13.835 0.362 105 HD21 LEU 15 HD21 LEU 15 -0.853 -15.053 2.105 106 HD22 LEU 15 HD22 LEU 15 0.212 -14.176 3.202 107 HD23 LEU 15 HD23 LEU 15 0.887 -15.034 1.817 108 H GLY 16 H GLY 16 3.201 -10.129 2.463 109 HA2 GLY 16 HA3 GLY 16 5.528 -9.500 2.386 110 HA3 GLY 16 HA2 GLY 16 5.874 -10.992 1.516 111 H HIS 17 H HIS 17 3.141 -9.240 0.336 112 HA HIS 17 HA HIS 17 4.218 -8.932 -2.263 113 HB2 HIS 17 HB3 HIS 17 1.969 -7.520 -0.826 114 HB3 HIS 17 HB2 HIS 17 2.396 -7.112 -2.488 115 HD2 HIS 17 HD2 HIS 17 2.388 -10.832 -1.153 116 HE1 HIS 17 HE1 HIS 17 -0.582 -10.467 -4.133 117 HE2 HIS 17 HE2 HIS 17 0.621 -12.092 -2.603 118 H CYS 18 H CYS 18 4.425 -6.782 0.536 119 HA CYS 18 HA CYS 18 5.528 -4.558 -0.968 120 HB2 CYS 18 HB3 CYS 18 5.245 -5.262 1.933 121 HB3 CYS 18 HB2 CYS 18 6.390 -3.999 1.484 122 H GLN 19 H GLN 19 6.807 -7.248 0.909 123 HA GLN 19 HA GLN 19 9.584 -6.518 0.630 124 HB2 GLN 19 HB3 GLN 19 8.636 -8.089 2.362 125 HB3 GLN 19 HB2 GLN 19 8.401 -9.270 1.077 126 HG2 GLN 19 HG3 GLN 19 10.808 -9.243 0.584 127 HG3 GLN 19 HG2 GLN 19 11.062 -8.037 1.846 128 HE21 GLN 19 HE21 GLN 19 12.436 -10.430 2.150 129 HE22 GLN 19 HE22 GLN 19 11.737 -11.360 3.387 130 H TYR 20 H TYR 20 7.302 -8.435 -1.229 131 HA TYR 20 HA TYR 20 9.426 -9.217 -3.139 132 HB2 TYR 20 HB3 TYR 20 6.505 -9.999 -2.977 133 HB3 TYR 20 HB2 TYR 20 7.684 -10.674 -4.104 134 HD1 TYR 20 HD2 TYR 20 10.006 -11.357 -2.812 135 HD2 TYR 20 HD1 TYR 20 6.064 -11.310 -1.108 136 HE1 TYR 20 HE2 TYR 20 10.737 -12.972 -1.079 137 HE2 TYR 20 HE1 TYR 20 6.795 -12.927 0.626 138 HH TYR 20 HH TYR 20 9.434 -13.461 1.644 139 H SER 21 H SER 21 6.181 -7.662 -3.264 140 HA SER 21 HA SER 21 7.135 -6.305 -5.757 141 HB2 SER 21 HB3 SER 21 5.295 -8.188 -5.891 142 HB3 SER 21 HB2 SER 21 4.232 -6.902 -5.329 143 HG SER 21 HG SER 21 5.837 -6.995 -7.660 144 HA PRO 22 HA PRO 22 5.676 -3.154 -2.638 145 HB2 PRO 22 HB3 PRO 22 7.951 -1.611 -2.755 146 HB3 PRO 22 HB2 PRO 22 7.687 -2.904 -1.574 147 HG2 PRO 22 HG3 PRO 22 9.351 -2.886 -4.011 148 HG3 PRO 22 HG2 PRO 22 9.570 -3.773 -2.496 149 HD2 PRO 22 HD3 PRO 22 8.617 -4.885 -4.863 150 HD3 PRO 22 HD2 PRO 22 8.373 -5.577 -3.245 151 H LYS 23 H LYS 23 6.885 -3.167 -5.853 152 HA LYS 23 HA LYS 23 6.649 -0.440 -6.587 153 HB2 LYS 23 HB3 LYS 23 6.126 -2.946 -8.209 154 HB3 LYS 23 HB2 LYS 23 6.275 -1.326 -8.895 155 HG2 LYS 23 HG3 LYS 23 8.550 -1.135 -7.976 156 HG3 LYS 23 HG2 LYS 23 8.405 -2.742 -7.265 157 HD2 LYS 23 HD3 LYS 23 9.616 -2.921 -9.368 158 HD3 LYS 23 HD2 LYS 23 8.032 -3.674 -9.555 159 HE2 LYS 23 HE3 LYS 23 8.041 -0.800 -10.176 160 HE3 LYS 23 HE2 LYS 23 9.079 -1.755 -11.237 161 HZ1 LYS 23 HZ1 LYS 23 6.589 -1.498 -11.802 162 HZ2 LYS 23 HZ2 LYS 23 6.358 -2.687 -10.611 163 HZ3 LYS 23 HZ3 LYS 23 7.319 -3.020 -11.973 164 H TYR 24 H TYR 24 4.166 -2.946 -6.242 165 HA TYR 24 HA TYR 24 2.129 -0.981 -7.179 166 HB2 TYR 24 HB3 TYR 24 1.766 -3.925 -6.561 167 HB3 TYR 24 HB2 TYR 24 0.638 -2.870 -7.415 168 HD1 TYR 24 HD2 TYR 24 1.125 -2.076 -9.697 169 HD2 TYR 24 HD1 TYR 24 3.777 -4.759 -7.639 170 HE1 TYR 24 HE2 TYR 24 2.275 -2.585 -11.833 171 HE2 TYR 24 HE1 TYR 24 4.925 -5.263 -9.775 172 HH TYR 24 HH TYR 24 4.550 -3.400 -12.548 173 H MET 25 H MET 25 3.359 -2.473 -4.315 174 HA MET 25 HA MET 25 0.932 -2.130 -2.730 175 HB2 MET 25 HB3 MET 25 3.822 -2.460 -1.866 176 HB3 MET 25 HB2 MET 25 2.419 -2.576 -0.809 177 HG2 MET 25 HG3 MET 25 2.855 -4.342 -3.230 178 HG3 MET 25 HG2 MET 25 3.280 -4.811 -1.584 179 HE1 MET 25 HE1 MET 25 1.953 -4.475 0.246 180 HE2 MET 25 HE2 MET 25 0.507 -5.467 0.353 181 HE3 MET 25 HE3 MET 25 0.358 -3.719 0.213 182 H GLY 26 H GLY 26 3.987 -0.369 -3.147 183 HA2 GLY 26 HA3 GLY 26 3.438 1.715 -1.281 184 HA3 GLY 26 HA2 GLY 26 4.554 1.846 -2.644 185 H HIS 27 H HIS 27 2.312 1.119 -4.522 186 HA HIS 27 HA HIS 27 1.309 3.866 -4.852 187 HB2 HIS 27 HB3 HIS 27 2.187 2.541 -6.789 188 HB3 HIS 27 HB2 HIS 27 0.834 1.428 -6.588 189 HD2 HIS 27 HD2 HIS 27 -1.749 2.593 -7.190 190 HE1 HIS 27 HE1 HIS 27 -0.158 6.021 -9.071 191 HE2 HIS 27 HE2 HIS 27 -2.272 4.682 -8.660 192 H TYR 28 H TYR 28 0.248 0.944 -3.452 193 HA TYR 28 HA TYR 28 -2.566 1.958 -3.473 194 HB2 TYR 28 HB3 TYR 28 -1.472 -0.813 -3.818 195 HB3 TYR 28 HB2 TYR 28 -3.052 -0.594 -3.065 196 HD1 TYR 28 HD2 TYR 28 -1.068 -0.065 -6.137 197 HD2 TYR 28 HD1 TYR 28 -4.953 0.219 -4.325 198 HE1 TYR 28 HE2 TYR 28 -2.086 0.271 -8.371 199 HE2 TYR 28 HE1 TYR 28 -5.972 0.556 -6.558 200 HH TYR 28 HH TYR 28 -4.832 -0.243 -9.234 201 H CYS 29 H CYS 29 -0.280 -0.122 -1.663 202 HA CYS 29 HA CYS 29 -1.746 0.647 0.814 203 HB2 CYS 29 HB3 CYS 29 0.348 -1.506 0.614 204 HB3 CYS 29 HB2 CYS 29 -0.942 -1.328 1.801 205 H LYS 30 H LYS 30 -0.820 2.366 1.809 206 HA LYS 30 HA LYS 30 2.075 2.850 1.497 207 HB2 LYS 30 HB3 LYS 30 0.335 4.516 3.270 208 HB3 LYS 30 HB2 LYS 30 1.656 5.016 2.211 209 HG2 LYS 30 HG3 LYS 30 -1.099 4.105 1.328 210 HG3 LYS 30 HG2 LYS 30 -0.492 5.756 1.278 211 HD2 LYS 30 HD3 LYS 30 0.915 3.511 -0.182 212 HD3 LYS 30 HD2 LYS 30 -0.412 4.404 -0.916 213 HE2 LYS 30 HE3 LYS 30 2.207 5.551 0.087 214 HE3 LYS 30 HE2 LYS 30 1.661 5.455 -1.587 215 HZ1 LYS 30 HZ1 LYS 30 -0.321 6.811 -0.765 216 HZ2 LYS 30 HZ2 LYS 30 1.163 7.614 -0.962 217 HZ3 LYS 30 HZ3 LYS 30 0.639 7.165 0.591 218 H LYS 31 H LYS 31 -0.224 2.512 4.223 219 HA LYS 31 HA LYS 31 1.777 2.290 6.256 220 HB2 LYS 31 HB3 LYS 31 -1.075 1.300 6.085 221 HB3 LYS 31 HB2 LYS 31 -0.096 1.157 7.542 222 HG2 LYS 31 HG3 LYS 31 -0.143 3.409 7.969 223 HG3 LYS 31 HG2 LYS 31 -0.172 3.839 6.259 224 HD2 LYS 31 HD3 LYS 31 -2.329 4.417 6.946 225 HD3 LYS 31 HD2 LYS 31 -2.577 2.795 6.308 226 HE2 LYS 31 HE3 LYS 31 -2.167 3.513 9.227 227 HE3 LYS 31 HE2 LYS 31 -3.690 3.030 8.482 228 HZ1 LYS 31 HZ1 LYS 31 -3.028 1.016 9.200 229 HZ2 LYS 31 HZ2 LYS 31 -1.377 1.418 9.193 230 HZ3 LYS 31 HZ3 LYS 31 -2.160 1.009 7.742 231 H ALA 32 H ALA 32 -0.047 -0.176 4.470 232 HA ALA 32 HA ALA 32 1.098 -2.455 5.688 233 HB1 ALA 32 HB1 ALA 32 -0.771 -2.076 3.765 234 HB2 ALA 32 HB2 ALA 32 -0.017 -3.632 4.078 235 HB3 ALA 32 HB3 ALA 32 0.583 -2.615 2.769 236 H CYS 33 H CYS 33 2.471 -0.150 3.517 237 HA CYS 33 HA CYS 33 4.799 -1.954 3.036 238 HB2 CYS 33 HB3 CYS 33 3.391 -0.131 1.344 239 HB3 CYS 33 HB2 CYS 33 5.018 0.483 1.582 240 H GLY 34 H GLY 34 6.917 -0.556 2.907 241 HA2 GLY 34 HA3 GLY 34 7.370 0.511 5.524 242 HA3 GLY 34 HA2 GLY 34 8.509 0.607 4.183 243 H LEU 35 H LEU 35 5.565 1.890 3.223 244 HA LEU 35 HA LEU 35 6.657 4.583 3.197 245 HB2 LEU 35 HB3 LEU 35 3.803 3.755 2.615 246 HB3 LEU 35 HB2 LEU 35 4.622 5.217 2.069 247 HG LEU 35 HG LEU 35 5.110 2.376 1.205 248 HD11 LEU 35 HD11 LEU 35 3.431 3.594 -0.046 249 HD12 LEU 35 HD12 LEU 35 4.873 3.427 -1.042 250 HD13 LEU 35 HD13 LEU 35 4.524 4.961 -0.249 251 HD21 LEU 35 HD21 LEU 35 7.320 3.148 1.569 252 HD22 LEU 35 HD22 LEU 35 6.929 4.772 1.001 253 HD23 LEU 35 HD23 LEU 35 7.025 3.437 -0.144 254 H CYS 36 H CYS 36 4.402 2.798 5.213 255 HA CYS 36 HA CYS 36 4.494 5.012 7.164 256 HB2 CYS 36 HB3 CYS 36 2.148 4.368 5.529 257 HB3 CYS 36 HB2 CYS 36 1.816 4.320 7.259 Start of MODEL 5 1 HA VAL 1 HA VAL 1 -2.183 10.991 5.225 2 HB VAL 1 HB VAL 1 -2.699 12.833 3.639 3 HG11 VAL 1 HG11 VAL 1 -0.830 11.483 2.020 4 HG12 VAL 1 HG12 VAL 1 -1.781 12.901 1.580 5 HG13 VAL 1 HG13 VAL 1 -2.381 11.286 1.206 6 HG21 VAL 1 HG21 VAL 1 -3.759 10.253 2.480 7 HG22 VAL 1 HG22 VAL 1 -4.601 11.788 2.694 8 HG23 VAL 1 HG23 VAL 1 -4.227 10.785 4.095 9 H CYS 2 H CYS 2 -0.783 9.004 5.512 10 HA CYS 2 HA CYS 2 -0.598 7.379 3.018 11 HB2 CYS 2 HB3 CYS 2 0.479 5.992 5.255 12 HB3 CYS 2 HB2 CYS 2 1.349 6.668 3.876 13 H GLU 3 H GLU 3 -1.989 5.684 2.730 14 HA GLU 3 HA GLU 3 -3.146 4.264 4.989 15 HB2 GLU 3 HB3 GLU 3 -5.417 4.900 4.754 16 HB3 GLU 3 HB2 GLU 3 -4.526 6.423 4.721 17 HG2 GLU 3 HG3 GLU 3 -4.533 6.286 2.205 18 HG3 GLU 3 HG2 GLU 3 -5.602 4.890 2.339 19 H ASP 4 H ASP 4 -4.401 2.398 4.279 20 HA ASP 4 HA ASP 4 -3.321 1.248 1.875 21 HB2 ASP 4 HB3 ASP 4 -4.866 -0.643 2.377 22 HB3 ASP 4 HB2 ASP 4 -3.896 -0.165 3.771 23 H LEU 5 H LEU 5 -4.141 1.226 -0.172 24 HA LEU 5 HA LEU 5 -6.671 2.716 -0.631 25 HB2 LEU 5 HB3 LEU 5 -4.516 1.747 -2.534 26 HB3 LEU 5 HB2 LEU 5 -5.943 2.660 -3.020 27 HG LEU 5 HG LEU 5 -3.891 3.638 -1.011 28 HD11 LEU 5 HD11 LEU 5 -2.632 4.165 -2.804 29 HD12 LEU 5 HD12 LEU 5 -3.917 5.267 -3.303 30 HD13 LEU 5 HD13 LEU 5 -3.890 3.611 -3.911 31 HD21 LEU 5 HD21 LEU 5 -5.673 4.960 -0.486 32 HD22 LEU 5 HD22 LEU 5 -6.511 4.594 -1.990 33 HD23 LEU 5 HD23 LEU 5 -5.238 5.811 -1.969 34 H ASN 6 H ASN 6 -5.296 -0.486 -0.829 35 HA ASN 6 HA ASN 6 -7.761 -1.447 -2.198 36 HB2 ASN 6 HB3 ASN 6 -5.449 -2.085 -3.078 37 HB3 ASN 6 HB2 ASN 6 -5.276 -3.068 -1.622 38 HD21 ASN 6 HD21 ASN 6 -7.179 -2.697 -4.606 39 HD22 ASN 6 HD22 ASN 6 -7.858 -4.251 -4.565 40 H ALA 7 H ALA 7 -9.112 -2.920 -1.171 41 HA ALA 7 HA ALA 7 -9.064 -2.972 1.713 42 HB1 ALA 7 HB1 ALA 7 -10.692 -4.419 -0.377 43 HB2 ALA 7 HB2 ALA 7 -11.208 -3.129 0.709 44 HB3 ALA 7 HB3 ALA 7 -10.895 -4.748 1.343 45 H HIS 8 H HIS 8 -7.563 -4.891 -0.716 46 HA HIS 8 HA HIS 8 -7.154 -7.163 1.152 47 HB2 HIS 8 HB3 HIS 8 -6.516 -6.793 -1.785 48 HB3 HIS 8 HB2 HIS 8 -6.074 -8.225 -0.868 49 HD2 HIS 8 HD2 HIS 8 -9.430 -6.365 -1.879 50 HE1 HIS 8 HE1 HIS 8 -10.307 -10.400 -1.004 51 HE2 HIS 8 HE2 HIS 8 -11.277 -8.206 -1.829 52 H CYS 9 H CYS 9 -5.765 -4.285 0.930 53 HA CYS 9 HA CYS 9 -3.042 -4.602 0.354 54 HB2 CYS 9 HB3 CYS 9 -4.527 -2.895 2.324 55 HB3 CYS 9 HB2 CYS 9 -2.766 -2.927 2.372 56 H GLU 10 H GLU 10 -4.602 -5.156 3.549 57 HA GLU 10 HA GLU 10 -2.239 -6.107 4.827 58 HB2 GLU 10 HB3 GLU 10 -4.418 -5.533 5.984 59 HB3 GLU 10 HB2 GLU 10 -5.062 -7.062 5.382 60 HG2 GLU 10 HG3 GLU 10 -3.187 -8.259 6.503 61 HG3 GLU 10 HG2 GLU 10 -2.643 -6.721 7.178 62 H MET 11 H MET 11 -4.706 -7.737 2.892 63 HA MET 11 HA MET 11 -3.820 -10.414 3.285 64 HB2 MET 11 HB3 MET 11 -5.122 -9.158 0.858 65 HB3 MET 11 HB2 MET 11 -4.985 -10.891 1.150 66 HG2 MET 11 HG3 MET 11 -6.447 -8.903 2.917 67 HG3 MET 11 HG2 MET 11 -7.205 -10.073 1.836 68 HE1 MET 11 HE1 MET 11 -5.127 -12.853 2.526 69 HE2 MET 11 HE2 MET 11 -6.606 -12.338 1.716 70 HE3 MET 11 HE3 MET 11 -6.702 -13.401 3.118 71 H TRP 12 H TRP 12 -2.691 -7.854 1.153 72 HA TRP 12 HA TRP 12 -0.910 -9.687 -0.299 73 HB2 TRP 12 HB3 TRP 12 -1.096 -6.670 -0.396 74 HB3 TRP 12 HB2 TRP 12 -0.243 -7.688 -1.544 75 HD1 TRP 12 HD1 TRP 12 -2.857 -9.869 -1.307 76 HE1 TRP 12 HE1 TRP 12 -4.860 -9.330 -2.842 77 HE3 TRP 12 HE3 TRP 12 -1.898 -4.961 -2.312 78 HZ2 TRP 12 HZ2 TRP 12 -5.913 -7.103 -4.304 79 HZ3 TRP 12 HZ3 TRP 12 -3.408 -3.654 -3.776 80 HH2 TRP 12 HH2 TRP 12 -5.413 -4.718 -4.775 81 H GLN 13 H GLN 13 -0.571 -7.007 2.040 82 HA GLN 13 HA GLN 13 2.301 -7.107 2.083 83 HB2 GLN 13 HB3 GLN 13 2.183 -5.523 3.779 84 HB3 GLN 13 HB2 GLN 13 0.630 -5.285 2.979 85 HG2 GLN 13 HG3 GLN 13 -0.024 -5.441 5.212 86 HG3 GLN 13 HG2 GLN 13 -0.198 -7.110 4.687 87 HE21 GLN 13 HE21 GLN 13 0.405 -8.233 6.593 88 HE22 GLN 13 HE22 GLN 13 1.906 -8.045 7.360 89 H GLN 14 H GLN 14 -0.212 -8.806 3.881 90 HA GLN 14 HA GLN 14 1.531 -9.940 5.859 91 HB2 GLN 14 HB3 GLN 14 -0.282 -11.331 6.446 92 HB3 GLN 14 HB2 GLN 14 -1.059 -9.883 5.808 93 HG2 GLN 14 HG3 GLN 14 -1.107 -11.054 3.551 94 HG3 GLN 14 HG2 GLN 14 -0.644 -12.527 4.402 95 HE21 GLN 14 HE21 GLN 14 -2.820 -9.958 5.625 96 HE22 GLN 14 HE22 GLN 14 -4.193 -10.951 5.734 97 H LEU 15 H LEU 15 0.798 -10.735 2.533 98 HA LEU 15 HA LEU 15 2.144 -13.350 2.688 99 HB2 LEU 15 HB3 LEU 15 1.101 -11.772 0.323 100 HB3 LEU 15 HB2 LEU 15 1.711 -13.424 0.246 101 HG LEU 15 HG LEU 15 -0.647 -12.507 1.918 102 HD11 LEU 15 HD11 LEU 15 -0.411 -13.225 -0.868 103 HD12 LEU 15 HD12 LEU 15 -1.850 -12.735 0.026 104 HD13 LEU 15 HD13 LEU 15 -1.379 -14.435 -0.025 105 HD21 LEU 15 HD21 LEU 15 -0.899 -15.156 1.829 106 HD22 LEU 15 HD22 LEU 15 0.111 -14.380 3.050 107 HD23 LEU 15 HD23 LEU 15 0.849 -15.080 1.608 108 H GLY 16 H GLY 16 3.135 -10.150 2.491 109 HA2 GLY 16 HA3 GLY 16 5.467 -9.534 2.449 110 HA3 GLY 16 HA2 GLY 16 5.815 -11.018 1.566 111 H HIS 17 H HIS 17 3.096 -9.436 0.262 112 HA HIS 17 HA HIS 17 4.193 -9.028 -2.280 113 HB2 HIS 17 HB3 HIS 17 1.954 -7.602 -0.845 114 HB3 HIS 17 HB2 HIS 17 2.395 -7.191 -2.502 115 HD2 HIS 17 HD2 HIS 17 2.304 -10.926 -1.205 116 HE1 HIS 17 HE1 HIS 17 -0.682 -10.443 -4.152 117 HE2 HIS 17 HE2 HIS 17 0.483 -12.119 -2.645 118 H CYS 18 H CYS 18 4.429 -6.924 0.551 119 HA CYS 18 HA CYS 18 5.517 -4.686 -0.969 120 HB2 CYS 18 HB3 CYS 18 5.138 -5.347 1.921 121 HB3 CYS 18 HB2 CYS 18 6.353 -4.137 1.512 122 H GLN 19 H GLN 19 6.792 -7.358 0.950 123 HA GLN 19 HA GLN 19 9.562 -6.604 0.717 124 HB2 GLN 19 HB3 GLN 19 8.604 -8.237 2.398 125 HB3 GLN 19 HB2 GLN 19 8.409 -9.387 1.076 126 HG2 GLN 19 HG3 GLN 19 10.828 -9.288 0.618 127 HG3 GLN 19 HG2 GLN 19 11.031 -8.131 1.932 128 HE21 GLN 19 HE21 GLN 19 12.380 -10.642 2.003 129 HE22 GLN 19 HE22 GLN 19 11.718 -11.578 3.255 130 H TYR 20 H TYR 20 7.313 -8.449 -1.240 131 HA TYR 20 HA TYR 20 9.487 -9.160 -3.131 132 HB2 TYR 20 HB3 TYR 20 6.641 -10.133 -2.815 133 HB3 TYR 20 HB2 TYR 20 7.719 -10.660 -4.111 134 HD1 TYR 20 HD2 TYR 20 10.002 -11.642 -3.445 135 HD2 TYR 20 HD1 TYR 20 6.748 -11.156 -0.683 136 HE1 TYR 20 HE2 TYR 20 11.059 -13.275 -1.909 137 HE2 TYR 20 HE1 TYR 20 7.807 -12.786 0.854 138 HH TYR 20 HH TYR 20 11.014 -13.803 0.525 139 H SER 21 H SER 21 6.239 -7.626 -3.162 140 HA SER 21 HA SER 21 7.082 -6.325 -5.720 141 HB2 SER 21 HB3 SER 21 5.257 -8.227 -5.777 142 HB3 SER 21 HB2 SER 21 4.200 -6.938 -5.211 143 HG SER 21 HG SER 21 5.702 -5.951 -7.150 144 HA PRO 22 HA PRO 22 5.689 -3.151 -2.607 145 HB2 PRO 22 HB3 PRO 22 7.951 -1.608 -2.762 146 HB3 PRO 22 HB2 PRO 22 7.743 -2.931 -1.602 147 HG2 PRO 22 HG3 PRO 22 9.294 -2.854 -4.120 148 HG3 PRO 22 HG2 PRO 22 9.614 -3.732 -2.618 149 HD2 PRO 22 HD3 PRO 22 8.573 -4.880 -4.918 150 HD3 PRO 22 HD2 PRO 22 8.400 -5.560 -3.286 151 H LYS 23 H LYS 23 6.844 -3.187 -5.850 152 HA LYS 23 HA LYS 23 6.574 -0.457 -6.593 153 HB2 LYS 23 HB3 LYS 23 7.579 -2.248 -8.025 154 HB3 LYS 23 HB2 LYS 23 5.956 -2.887 -8.302 155 HG2 LYS 23 HG3 LYS 23 5.277 -0.686 -9.243 156 HG3 LYS 23 HG2 LYS 23 6.932 -0.107 -9.033 157 HD2 LYS 23 HD3 LYS 23 7.710 -2.004 -10.485 158 HD3 LYS 23 HD2 LYS 23 6.020 -2.405 -10.792 159 HE2 LYS 23 HE3 LYS 23 7.431 0.184 -11.494 160 HE3 LYS 23 HE2 LYS 23 6.809 -1.024 -12.617 161 HZ1 LYS 23 HZ1 LYS 23 4.599 -0.547 -11.310 162 HZ2 LYS 23 HZ2 LYS 23 5.083 0.437 -12.610 163 HZ3 LYS 23 HZ3 LYS 23 5.352 0.943 -11.009 164 H TYR 24 H TYR 24 4.130 -3.005 -6.235 165 HA TYR 24 HA TYR 24 2.057 -1.078 -7.175 166 HB2 TYR 24 HB3 TYR 24 1.724 -4.009 -6.482 167 HB3 TYR 24 HB2 TYR 24 0.582 -2.983 -7.352 168 HD1 TYR 24 HD2 TYR 24 1.008 -2.291 -9.669 169 HD2 TYR 24 HD1 TYR 24 3.742 -4.837 -7.553 170 HE1 TYR 24 HE2 TYR 24 2.122 -2.877 -11.806 171 HE2 TYR 24 HE1 TYR 24 4.852 -5.425 -9.688 172 HH TYR 24 HH TYR 24 3.759 -5.311 -12.416 173 H MET 25 H MET 25 3.356 -2.428 -4.284 174 HA MET 25 HA MET 25 0.892 -2.083 -2.728 175 HB2 MET 25 HB3 MET 25 3.757 -2.544 -1.850 176 HB3 MET 25 HB2 MET 25 2.359 -2.557 -0.782 177 HG2 MET 25 HG3 MET 25 2.632 -4.383 -3.181 178 HG3 MET 25 HG2 MET 25 3.097 -4.851 -1.545 179 HE1 MET 25 HE1 MET 25 0.278 -5.234 0.521 180 HE2 MET 25 HE2 MET 25 0.395 -3.492 0.322 181 HE3 MET 25 HE3 MET 25 1.859 -4.465 0.343 182 H GLY 26 H GLY 26 3.997 -0.391 -3.100 183 HA2 GLY 26 HA3 GLY 26 3.461 1.683 -1.217 184 HA3 GLY 26 HA2 GLY 26 4.600 1.808 -2.558 185 H HIS 27 H HIS 27 2.393 1.140 -4.483 186 HA HIS 27 HA HIS 27 1.419 3.903 -4.806 187 HB2 HIS 27 HB3 HIS 27 2.323 2.573 -6.737 188 HB3 HIS 27 HB2 HIS 27 0.948 1.482 -6.571 189 HD2 HIS 27 HD2 HIS 27 -1.602 2.681 -7.246 190 HE1 HIS 27 HE1 HIS 27 0.094 6.087 -9.080 191 HE2 HIS 27 HE2 HIS 27 -2.050 4.772 -8.740 192 H TYR 28 H TYR 28 0.331 1.006 -3.417 193 HA TYR 28 HA TYR 28 -2.480 2.007 -3.510 194 HB2 TYR 28 HB3 TYR 28 -1.366 -0.752 -3.825 195 HB3 TYR 28 HB2 TYR 28 -2.952 -0.553 -3.074 196 HD1 TYR 28 HD2 TYR 28 -0.970 0.042 -6.151 197 HD2 TYR 28 HD1 TYR 28 -4.862 0.185 -4.336 198 HE1 TYR 28 HE2 TYR 28 -2.000 0.348 -8.386 199 HE2 TYR 28 HE1 TYR 28 -5.889 0.494 -6.571 200 HH TYR 28 HH TYR 28 -5.070 -0.196 -9.078 201 H CYS 29 H CYS 29 -0.203 -0.003 -1.625 202 HA CYS 29 HA CYS 29 -1.708 0.828 0.808 203 HB2 CYS 29 HB3 CYS 29 0.325 -1.371 0.803 204 HB3 CYS 29 HB2 CYS 29 -1.102 -1.179 1.816 205 H LYS 30 H LYS 30 -0.743 2.536 1.789 206 HA LYS 30 HA LYS 30 2.155 2.969 1.474 207 HB2 LYS 30 HB3 LYS 30 0.484 4.670 3.270 208 HB3 LYS 30 HB2 LYS 30 1.762 5.147 2.155 209 HG2 LYS 30 HG3 LYS 30 -1.038 4.267 1.398 210 HG3 LYS 30 HG2 LYS 30 -0.405 5.907 1.305 211 HD2 LYS 30 HD3 LYS 30 0.949 3.656 -0.181 212 HD3 LYS 30 HD2 LYS 30 -0.452 4.472 -0.865 213 HE2 LYS 30 HE3 LYS 30 2.086 5.851 0.047 214 HE3 LYS 30 HE2 LYS 30 1.664 5.501 -1.629 215 HZ1 LYS 30 HZ1 LYS 30 0.475 7.349 -1.683 216 HZ2 LYS 30 HZ2 LYS 30 0.893 7.693 -0.074 217 HZ3 LYS 30 HZ3 LYS 30 -0.505 6.792 -0.417 218 H LYS 31 H LYS 31 -0.146 2.605 4.174 219 HA LYS 31 HA LYS 31 1.853 2.409 6.221 220 HB2 LYS 31 HB3 LYS 31 -1.013 1.473 6.037 221 HB3 LYS 31 HB2 LYS 31 -0.049 1.282 7.498 222 HG2 LYS 31 HG3 LYS 31 0.084 3.574 7.878 223 HG3 LYS 31 HG2 LYS 31 -0.176 3.973 6.180 224 HD2 LYS 31 HD3 LYS 31 -2.280 4.468 6.883 225 HD3 LYS 31 HD2 LYS 31 -2.530 2.730 6.763 226 HE2 LYS 31 HE3 LYS 31 -1.780 4.296 9.241 227 HE3 LYS 31 HE2 LYS 31 -3.296 3.449 8.943 228 HZ1 LYS 31 HZ1 LYS 31 -2.016 1.373 8.803 229 HZ2 LYS 31 HZ2 LYS 31 -1.889 2.114 10.325 230 HZ3 LYS 31 HZ3 LYS 31 -0.610 2.222 9.214 231 H ALA 32 H ALA 32 -0.036 -0.076 4.502 232 HA ALA 32 HA ALA 32 1.100 -2.349 5.715 233 HB1 ALA 32 HB1 ALA 32 -0.014 -3.539 4.107 234 HB2 ALA 32 HB2 ALA 32 0.562 -2.510 2.797 235 HB3 ALA 32 HB3 ALA 32 -0.779 -1.981 3.816 236 H CYS 33 H CYS 33 2.460 -0.121 3.434 237 HA CYS 33 HA CYS 33 4.778 -1.958 3.030 238 HB2 CYS 33 HB3 CYS 33 3.377 -0.275 1.231 239 HB3 CYS 33 HB2 CYS 33 4.955 0.461 1.482 240 H GLY 34 H GLY 34 6.828 -0.281 2.637 241 HA2 GLY 34 HA3 GLY 34 7.239 0.824 5.304 242 HA3 GLY 34 HA2 GLY 34 8.429 0.790 4.005 243 H LEU 35 H LEU 35 5.203 2.173 3.507 244 HA LEU 35 HA LEU 35 6.557 4.778 3.024 245 HB2 LEU 35 HB3 LEU 35 3.661 4.044 2.546 246 HB3 LEU 35 HB2 LEU 35 4.520 5.441 1.903 247 HG LEU 35 HG LEU 35 4.863 2.536 1.180 248 HD11 LEU 35 HD11 LEU 35 4.208 5.087 -0.295 249 HD12 LEU 35 HD12 LEU 35 3.249 3.611 -0.192 250 HD13 LEU 35 HD13 LEU 35 4.733 3.635 -1.142 251 HD21 LEU 35 HD21 LEU 35 6.769 4.844 0.754 252 HD22 LEU 35 HD22 LEU 35 6.789 3.404 -0.263 253 HD23 LEU 35 HD23 LEU 35 7.118 3.267 1.463 254 H CYS 36 H CYS 36 4.445 3.173 5.261 255 HA CYS 36 HA CYS 36 4.654 5.400 7.128 256 HB2 CYS 36 HB3 CYS 36 2.467 5.363 5.301 257 HB3 CYS 36 HB2 CYS 36 1.832 5.008 6.907 Start of MODEL 6 1 HA VAL 1 HA VAL 1 -1.916 12.080 3.866 2 HB VAL 1 HB VAL 1 -2.153 11.000 6.006 3 HG11 VAL 1 HG11 VAL 1 -3.513 12.573 6.971 4 HG12 VAL 1 HG12 VAL 1 -4.850 12.241 5.868 5 HG13 VAL 1 HG13 VAL 1 -3.499 13.248 5.342 6 HG21 VAL 1 HG21 VAL 1 -4.705 10.122 6.342 7 HG22 VAL 1 HG22 VAL 1 -3.376 9.070 5.851 8 HG23 VAL 1 HG23 VAL 1 -4.466 9.741 4.637 9 H CYS 2 H CYS 2 -1.633 9.363 5.182 10 HA CYS 2 HA CYS 2 -1.214 7.804 2.661 11 HB2 CYS 2 HB3 CYS 2 0.642 6.704 3.798 12 HB3 CYS 2 HB2 CYS 2 0.856 8.448 3.928 13 H GLU 3 H GLU 3 -2.407 5.958 2.488 14 HA GLU 3 HA GLU 3 -3.050 4.331 4.814 15 HB2 GLU 3 HB3 GLU 3 -5.425 4.594 4.822 16 HB3 GLU 3 HB2 GLU 3 -4.758 6.226 4.847 17 HG2 GLU 3 HG3 GLU 3 -4.987 6.289 2.346 18 HG3 GLU 3 HG2 GLU 3 -5.827 4.742 2.433 19 H ASP 4 H ASP 4 -4.179 2.320 4.158 20 HA ASP 4 HA ASP 4 -3.186 1.346 1.662 21 HB2 ASP 4 HB3 ASP 4 -4.536 -0.670 2.141 22 HB3 ASP 4 HB2 ASP 4 -3.580 -0.169 3.531 23 H LEU 5 H LEU 5 -3.981 1.633 -0.325 24 HA LEU 5 HA LEU 5 -6.533 2.950 -0.763 25 HB2 LEU 5 HB3 LEU 5 -4.612 1.614 -2.697 26 HB3 LEU 5 HB2 LEU 5 -5.989 2.602 -3.174 27 HG LEU 5 HG LEU 5 -3.622 3.526 -1.512 28 HD11 LEU 5 HD11 LEU 5 -4.178 4.987 -3.950 29 HD12 LEU 5 HD12 LEU 5 -3.929 3.276 -4.297 30 HD13 LEU 5 HD13 LEU 5 -2.686 4.194 -3.446 31 HD21 LEU 5 HD21 LEU 5 -4.857 5.796 -2.137 32 HD22 LEU 5 HD22 LEU 5 -5.328 4.875 -0.708 33 HD23 LEU 5 HD23 LEU 5 -6.271 4.741 -2.194 34 H ASN 6 H ASN 6 -5.317 -0.359 -1.022 35 HA ASN 6 HA ASN 6 -8.040 -1.275 -1.820 36 HB2 ASN 6 HB3 ASN 6 -5.284 -2.273 -2.237 37 HB3 ASN 6 HB2 ASN 6 -6.485 -3.517 -1.884 38 HD21 ASN 6 HD21 ASN 6 -5.088 -1.943 -4.452 39 HD22 ASN 6 HD22 ASN 6 -6.357 -2.051 -5.573 40 H ALA 7 H ALA 7 -9.181 -2.735 -0.510 41 HA ALA 7 HA ALA 7 -8.499 -2.729 2.314 42 HB1 ALA 7 HB1 ALA 7 -10.471 -4.728 1.648 43 HB2 ALA 7 HB2 ALA 7 -10.812 -3.241 0.762 44 HB3 ALA 7 HB3 ALA 7 -10.690 -3.210 2.522 45 H HIS 8 H HIS 8 -7.616 -4.652 -0.342 46 HA HIS 8 HA HIS 8 -7.116 -7.076 1.270 47 HB2 HIS 8 HB3 HIS 8 -6.585 -6.418 -1.642 48 HB3 HIS 8 HB2 HIS 8 -6.240 -7.980 -0.895 49 HD2 HIS 8 HD2 HIS 8 -9.301 -7.483 0.878 50 HE1 HIS 8 HE1 HIS 8 -10.762 -8.474 -2.959 51 HE2 HIS 8 HE2 HIS 8 -11.374 -8.251 -0.507 52 H CYS 9 H CYS 9 -5.627 -4.192 1.024 53 HA CYS 9 HA CYS 9 -2.943 -4.632 0.371 54 HB2 CYS 9 HB3 CYS 9 -4.317 -2.868 2.367 55 HB3 CYS 9 HB2 CYS 9 -2.554 -2.946 2.355 56 H GLU 10 H GLU 10 -4.554 -5.265 3.500 57 HA GLU 10 HA GLU 10 -2.198 -6.246 4.801 58 HB2 GLU 10 HB3 GLU 10 -4.393 -5.613 5.920 59 HB3 GLU 10 HB2 GLU 10 -5.032 -7.156 5.348 60 HG2 GLU 10 HG3 GLU 10 -3.177 -8.329 6.518 61 HG3 GLU 10 HG2 GLU 10 -2.622 -6.778 7.147 62 H MET 11 H MET 11 -4.696 -7.766 2.819 63 HA MET 11 HA MET 11 -3.880 -10.478 3.161 64 HB2 MET 11 HB3 MET 11 -5.176 -9.116 0.780 65 HB3 MET 11 HB2 MET 11 -5.035 -10.861 0.983 66 HG2 MET 11 HG3 MET 11 -6.309 -10.673 3.124 67 HG3 MET 11 HG2 MET 11 -6.529 -8.952 2.805 68 HE1 MET 11 HE1 MET 11 -9.081 -8.899 2.770 69 HE2 MET 11 HE2 MET 11 -8.941 -10.540 3.397 70 HE3 MET 11 HE3 MET 11 -10.073 -10.198 2.091 71 H TRP 12 H TRP 12 -2.695 -7.885 1.099 72 HA TRP 12 HA TRP 12 -0.933 -9.705 -0.397 73 HB2 TRP 12 HB3 TRP 12 -1.062 -6.680 -0.432 74 HB3 TRP 12 HB2 TRP 12 -0.269 -7.704 -1.621 75 HD1 TRP 12 HD1 TRP 12 -2.890 -9.834 -1.396 76 HE1 TRP 12 HE1 TRP 12 -4.943 -9.221 -2.829 77 HE3 TRP 12 HE3 TRP 12 -1.939 -4.887 -2.220 78 HZ2 TRP 12 HZ2 TRP 12 -6.040 -6.928 -4.148 79 HZ3 TRP 12 HZ3 TRP 12 -3.502 -3.512 -3.564 80 HH2 TRP 12 HH2 TRP 12 -5.549 -4.526 -4.527 81 H GLN 13 H GLN 13 -0.533 -7.051 1.977 82 HA GLN 13 HA GLN 13 2.332 -7.196 2.020 83 HB2 GLN 13 HB3 GLN 13 2.230 -5.705 3.835 84 HB3 GLN 13 HB2 GLN 13 0.742 -5.357 2.954 85 HG2 GLN 13 HG3 GLN 13 -0.043 -5.579 5.150 86 HG3 GLN 13 HG2 GLN 13 -0.290 -7.202 4.507 87 HE21 GLN 13 HE21 GLN 13 0.017 -8.323 6.520 88 HE22 GLN 13 HE22 GLN 13 1.510 -8.355 7.326 89 H GLN 14 H GLN 14 -0.195 -8.884 3.808 90 HA GLN 14 HA GLN 14 1.521 -10.072 5.763 91 HB2 GLN 14 HB3 GLN 14 -0.311 -11.488 6.289 92 HB3 GLN 14 HB2 GLN 14 -1.051 -9.994 5.719 93 HG2 GLN 14 HG3 GLN 14 -1.153 -11.046 3.416 94 HG3 GLN 14 HG2 GLN 14 -0.689 -12.570 4.175 95 HE21 GLN 14 HE21 GLN 14 -2.798 -10.102 5.668 96 HE22 GLN 14 HE22 GLN 14 -4.189 -11.074 5.702 97 H LEU 15 H LEU 15 0.846 -10.807 2.418 98 HA LEU 15 HA LEU 15 2.205 -13.420 2.580 99 HB2 LEU 15 HB3 LEU 15 1.142 -11.868 0.200 100 HB3 LEU 15 HB2 LEU 15 1.762 -13.519 0.142 101 HG LEU 15 HG LEU 15 -0.622 -12.570 1.761 102 HD11 LEU 15 HD11 LEU 15 -1.754 -14.271 0.166 103 HD12 LEU 15 HD12 LEU 15 -0.309 -14.084 -0.829 104 HD13 LEU 15 HD13 LEU 15 -1.331 -12.688 -0.490 105 HD21 LEU 15 HD21 LEU 15 0.941 -15.118 1.652 106 HD22 LEU 15 HD22 LEU 15 -0.809 -15.229 1.837 107 HD23 LEU 15 HD23 LEU 15 0.150 -14.350 3.027 108 H GLY 16 H GLY 16 3.120 -10.198 2.362 109 HA2 GLY 16 HA3 GLY 16 5.451 -9.551 2.344 110 HA3 GLY 16 HA2 GLY 16 5.822 -11.013 1.439 111 H HIS 17 H HIS 17 3.076 -9.394 0.196 112 HA HIS 17 HA HIS 17 4.193 -8.957 -2.343 113 HB2 HIS 17 HB3 HIS 17 1.901 -7.590 -0.929 114 HB3 HIS 17 HB2 HIS 17 2.348 -7.180 -2.587 115 HD2 HIS 17 HD2 HIS 17 2.389 -10.902 -1.265 116 HE1 HIS 17 HE1 HIS 17 -0.574 -10.573 -4.257 117 HE2 HIS 17 HE2 HIS 17 0.650 -12.186 -2.727 118 H CYS 18 H CYS 18 4.394 -6.930 0.531 119 HA CYS 18 HA CYS 18 5.457 -4.621 -0.897 120 HB2 CYS 18 HB3 CYS 18 5.107 -5.429 1.960 121 HB3 CYS 18 HB2 CYS 18 6.326 -4.204 1.607 122 H GLN 19 H GLN 19 6.749 -7.357 0.910 123 HA GLN 19 HA GLN 19 9.522 -6.571 0.622 124 HB2 GLN 19 HB3 GLN 19 8.628 -8.093 2.410 125 HB3 GLN 19 HB2 GLN 19 8.369 -9.319 1.170 126 HG2 GLN 19 HG3 GLN 19 10.774 -9.271 0.612 127 HG3 GLN 19 HG2 GLN 19 11.037 -8.054 1.863 128 HE21 GLN 19 HE21 GLN 19 12.416 -10.480 2.107 129 HE22 GLN 19 HE22 GLN 19 11.758 -11.387 3.381 130 H TYR 20 H TYR 20 7.235 -8.475 -1.229 131 HA TYR 20 HA TYR 20 9.391 -9.317 -3.089 132 HB2 TYR 20 HB3 TYR 20 6.486 -10.157 -2.895 133 HB3 TYR 20 HB2 TYR 20 7.664 -10.825 -4.028 134 HD1 TYR 20 HD1 TYR 20 9.970 -11.563 -2.859 135 HD2 TYR 20 HD2 TYR 20 6.156 -11.316 -0.898 136 HE1 TYR 20 HE1 TYR 20 10.767 -13.129 -1.110 137 HE2 TYR 20 HE2 TYR 20 6.955 -12.882 0.853 138 HH TYR 20 HH TYR 20 8.756 -13.926 1.702 139 H SER 21 H SER 21 6.175 -7.719 -3.196 140 HA SER 21 HA SER 21 7.074 -6.476 -5.769 141 HB2 SER 21 HB3 SER 21 5.270 -8.317 -5.919 142 HB3 SER 21 HB2 SER 21 4.196 -7.142 -5.165 143 HG SER 21 HG SER 21 5.117 -5.712 -6.940 144 HA PRO 22 HA PRO 22 5.733 -3.226 -2.693 145 HB2 PRO 22 HB3 PRO 22 8.008 -1.719 -2.832 146 HB3 PRO 22 HB2 PRO 22 7.799 -3.060 -1.692 147 HG2 PRO 22 HG3 PRO 22 9.295 -2.965 -4.253 148 HG3 PRO 22 HG2 PRO 22 9.676 -3.822 -2.751 149 HD2 PRO 22 HD3 PRO 22 8.590 -5.031 -4.985 150 HD3 PRO 22 HD2 PRO 22 8.419 -5.659 -3.331 151 H LYS 23 H LYS 23 6.888 -3.298 -5.931 152 HA LYS 23 HA LYS 23 6.721 -0.577 -6.689 153 HB2 LYS 23 HB3 LYS 23 7.626 -2.380 -8.134 154 HB3 LYS 23 HB2 LYS 23 5.991 -3.003 -8.355 155 HG2 LYS 23 HG3 LYS 23 5.317 -0.795 -9.297 156 HG3 LYS 23 HG2 LYS 23 6.990 -0.254 -9.157 157 HD2 LYS 23 HD3 LYS 23 7.680 -2.165 -10.617 158 HD3 LYS 23 HD2 LYS 23 5.975 -2.565 -10.836 159 HE2 LYS 23 HE3 LYS 23 7.359 0.009 -11.637 160 HE3 LYS 23 HE2 LYS 23 6.664 -1.204 -12.715 161 HZ1 LYS 23 HZ1 LYS 23 4.752 -0.125 -12.576 162 HZ2 LYS 23 HZ2 LYS 23 5.387 0.965 -11.439 163 HZ3 LYS 23 HZ3 LYS 23 4.677 -0.488 -10.922 164 H TYR 24 H TYR 24 4.154 -2.986 -6.273 165 HA TYR 24 HA TYR 24 2.177 -0.933 -7.166 166 HB2 TYR 24 HB3 TYR 24 1.678 -3.865 -6.594 167 HB3 TYR 24 HB2 TYR 24 0.622 -2.746 -7.456 168 HD1 TYR 24 HD1 TYR 24 3.707 -4.744 -7.638 169 HD2 TYR 24 HD2 TYR 24 1.128 -2.029 -9.742 170 HE1 TYR 24 HE1 TYR 24 4.849 -5.310 -9.764 171 HE2 TYR 24 HE2 TYR 24 2.270 -2.593 -11.870 172 HH TYR 24 HH TYR 24 5.216 -4.242 -11.994 173 H MET 25 H MET 25 3.421 -2.468 -4.345 174 HA MET 25 HA MET 25 1.009 -2.112 -2.727 175 HB2 MET 25 HB3 MET 25 3.894 -2.558 -1.903 176 HB3 MET 25 HB2 MET 25 2.503 -2.641 -0.828 177 HG2 MET 25 HG3 MET 25 2.817 -4.374 -3.291 178 HG3 MET 25 HG2 MET 25 3.280 -4.888 -1.668 179 HE1 MET 25 HE1 MET 25 0.484 -5.442 0.349 180 HE2 MET 25 HE2 MET 25 0.532 -3.688 0.237 181 HE3 MET 25 HE3 MET 25 2.032 -4.608 0.211 182 H GLY 26 H GLY 26 4.116 -0.421 -3.115 183 HA2 GLY 26 HA3 GLY 26 3.613 1.628 -1.199 184 HA3 GLY 26 HA2 GLY 26 4.730 1.771 -2.556 185 H HIS 27 H HIS 27 2.492 1.136 -4.455 186 HA HIS 27 HA HIS 27 1.504 3.905 -4.694 187 HB2 HIS 27 HB3 HIS 27 2.434 2.670 -6.665 188 HB3 HIS 27 HB2 HIS 27 1.080 1.547 -6.551 189 HD2 HIS 27 HD2 HIS 27 -1.371 2.547 -7.527 190 HE1 HIS 27 HE1 HIS 27 0.058 6.372 -8.605 191 HE2 HIS 27 HE2 HIS 27 -1.918 4.787 -8.748 192 H TYR 28 H TYR 28 0.430 0.953 -3.401 193 HA TYR 28 HA TYR 28 -2.394 1.939 -3.485 194 HB2 TYR 28 HB3 TYR 28 -1.263 -0.811 -3.845 195 HB3 TYR 28 HB2 TYR 28 -2.847 -0.634 -3.089 196 HD1 TYR 28 HD2 TYR 28 -0.870 0.023 -6.149 197 HD2 TYR 28 HD1 TYR 28 -4.769 0.105 -4.343 198 HE1 TYR 28 HE2 TYR 28 -1.897 0.362 -8.380 199 HE2 TYR 28 HE1 TYR 28 -5.795 0.446 -6.574 200 HH TYR 28 HH TYR 28 -4.042 0.032 -9.485 201 H CYS 29 H CYS 29 -0.082 -0.061 -1.653 202 HA CYS 29 HA CYS 29 -1.622 0.614 0.808 203 HB2 CYS 29 HB3 CYS 29 0.519 -1.489 0.629 204 HB3 CYS 29 HB2 CYS 29 -0.837 -1.382 1.754 205 H LYS 30 H LYS 30 -0.750 2.343 1.831 206 HA LYS 30 HA LYS 30 2.128 2.907 1.554 207 HB2 LYS 30 HB3 LYS 30 0.355 4.501 3.351 208 HB3 LYS 30 HB2 LYS 30 1.622 5.055 2.257 209 HG2 LYS 30 HG3 LYS 30 -1.126 4.047 1.460 210 HG3 LYS 30 HG2 LYS 30 -0.563 5.713 1.370 211 HD2 LYS 30 HD3 LYS 30 0.895 3.511 -0.093 212 HD3 LYS 30 HD2 LYS 30 -0.513 4.292 -0.801 213 HE2 LYS 30 HE3 LYS 30 1.921 5.788 0.208 214 HE3 LYS 30 HE2 LYS 30 1.651 5.356 -1.479 215 HZ1 LYS 30 HZ1 LYS 30 0.606 7.314 -1.571 216 HZ2 LYS 30 HZ2 LYS 30 0.420 7.421 0.114 217 HZ3 LYS 30 HZ3 LYS 30 -0.679 6.510 -0.809 218 H LYS 31 H LYS 31 -0.184 2.502 4.238 219 HA LYS 31 HA LYS 31 1.756 2.322 6.324 220 HB2 LYS 31 HB3 LYS 31 -1.038 1.184 6.062 221 HB3 LYS 31 HB2 LYS 31 -0.113 1.181 7.559 222 HG2 LYS 31 HG3 LYS 31 -0.205 3.499 7.787 223 HG3 LYS 31 HG2 LYS 31 -0.463 3.759 6.060 224 HD2 LYS 31 HD3 LYS 31 -2.589 4.164 6.898 225 HD3 LYS 31 HD2 LYS 31 -2.711 2.452 6.507 226 HE2 LYS 31 HE3 LYS 31 -2.142 3.655 9.230 227 HE3 LYS 31 HE2 LYS 31 -3.598 2.787 8.740 228 HZ1 LYS 31 HZ1 LYS 31 -0.876 1.729 9.166 229 HZ2 LYS 31 HZ2 LYS 31 -2.003 0.888 8.209 230 HZ3 LYS 31 HZ3 LYS 31 -2.337 1.201 9.844 231 H ALA 32 H ALA 32 0.017 -0.191 4.520 232 HA ALA 32 HA ALA 32 1.178 -2.451 5.746 233 HB1 ALA 32 HB1 ALA 32 0.690 -2.571 2.816 234 HB2 ALA 32 HB2 ALA 32 -0.680 -2.117 3.833 235 HB3 ALA 32 HB3 ALA 32 0.140 -3.652 4.094 236 H CYS 33 H CYS 33 2.503 -0.186 3.471 237 HA CYS 33 HA CYS 33 4.887 -1.940 3.113 238 HB2 CYS 33 HB3 CYS 33 3.441 -0.233 1.327 239 HB3 CYS 33 HB2 CYS 33 5.060 0.419 1.531 240 H GLY 34 H GLY 34 6.900 -0.225 2.773 241 HA2 GLY 34 HA3 GLY 34 7.208 0.927 5.430 242 HA3 GLY 34 HA2 GLY 34 8.426 0.929 4.155 243 H LEU 35 H LEU 35 5.144 2.195 3.662 244 HA LEU 35 HA LEU 35 6.411 4.853 3.182 245 HB2 LEU 35 HB3 LEU 35 3.578 3.997 2.570 246 HB3 LEU 35 HB2 LEU 35 4.416 5.411 1.948 247 HG LEU 35 HG LEU 35 4.905 2.512 1.286 248 HD11 LEU 35 HD11 LEU 35 4.792 3.519 -1.048 249 HD12 LEU 35 HD12 LEU 35 4.263 5.015 -0.283 250 HD13 LEU 35 HD13 LEU 35 3.285 3.554 -0.136 251 HD21 LEU 35 HD21 LEU 35 7.110 3.342 1.657 252 HD22 LEU 35 HD22 LEU 35 6.725 4.896 0.918 253 HD23 LEU 35 HD23 LEU 35 6.853 3.448 -0.083 254 H CYS 36 H CYS 36 4.239 3.165 5.302 255 HA CYS 36 HA CYS 36 4.171 5.476 7.105 256 HB2 CYS 36 HB3 CYS 36 1.983 4.919 5.291 257 HB3 CYS 36 HB2 CYS 36 1.458 4.735 6.963 Start of MODEL 7 1 HA VAL 1 HA VAL 1 -1.071 11.590 4.416 2 HB VAL 1 HB VAL 1 -3.204 12.579 3.561 3 HG11 VAL 1 HG11 VAL 1 -4.456 11.462 1.832 4 HG12 VAL 1 HG12 VAL 1 -3.295 10.135 1.768 5 HG13 VAL 1 HG13 VAL 1 -2.836 11.739 1.195 6 HG21 VAL 1 HG21 VAL 1 -2.808 10.233 5.022 7 HG22 VAL 1 HG22 VAL 1 -4.034 9.789 3.833 8 HG23 VAL 1 HG23 VAL 1 -4.314 11.147 4.922 9 H CYS 2 H CYS 2 -1.156 9.314 4.830 10 HA CYS 2 HA CYS 2 -0.542 7.585 2.465 11 HB2 CYS 2 HB3 CYS 2 1.177 6.463 3.689 12 HB3 CYS 2 HB2 CYS 2 1.470 8.180 3.941 13 H GLU 3 H GLU 3 -1.958 5.886 2.337 14 HA GLU 3 HA GLU 3 -2.905 4.523 4.735 15 HB2 GLU 3 HB3 GLU 3 -5.183 5.124 4.686 16 HB3 GLU 3 HB2 GLU 3 -4.347 6.659 4.453 17 HG2 GLU 3 HG3 GLU 3 -4.578 6.300 1.957 18 HG3 GLU 3 HG2 GLU 3 -5.622 4.927 2.321 19 H ASP 4 H ASP 4 -4.240 2.640 4.191 20 HA ASP 4 HA ASP 4 -3.324 1.282 1.851 21 HB2 ASP 4 HB3 ASP 4 -5.005 -0.437 2.468 22 HB3 ASP 4 HB2 ASP 4 -4.053 0.077 3.861 23 H LEU 5 H LEU 5 -4.342 0.902 -0.138 24 HA LEU 5 HA LEU 5 -6.698 2.653 -0.699 25 HB2 LEU 5 HB3 LEU 5 -4.600 1.462 -2.538 26 HB3 LEU 5 HB2 LEU 5 -6.019 2.338 -3.110 27 HG LEU 5 HG LEU 5 -3.881 3.454 -1.267 28 HD11 LEU 5 HD11 LEU 5 -4.080 3.240 -4.140 29 HD12 LEU 5 HD12 LEU 5 -2.781 3.942 -3.174 30 HD13 LEU 5 HD13 LEU 5 -4.150 4.935 -3.665 31 HD21 LEU 5 HD21 LEU 5 -5.694 4.739 -0.667 32 HD22 LEU 5 HD22 LEU 5 -6.561 4.393 -2.165 33 HD23 LEU 5 HD23 LEU 5 -5.268 5.591 -2.152 34 H ASN 6 H ASN 6 -5.423 -0.617 -0.965 35 HA ASN 6 HA ASN 6 -8.066 -1.550 -1.983 36 HB2 ASN 6 HB3 ASN 6 -5.267 -2.517 -2.206 37 HB3 ASN 6 HB2 ASN 6 -6.496 -3.770 -2.018 38 HD21 ASN 6 HD21 ASN 6 -4.830 -2.494 -4.438 39 HD22 ASN 6 HD22 ASN 6 -6.016 -2.367 -5.645 40 H ALA 7 H ALA 7 -9.309 -2.964 -0.746 41 HA ALA 7 HA ALA 7 -8.879 -3.009 2.098 42 HB1 ALA 7 HB1 ALA 7 -10.711 -4.870 1.926 43 HB2 ALA 7 HB2 ALA 7 -10.778 -4.407 0.224 44 HB3 ALA 7 HB3 ALA 7 -11.134 -3.217 1.476 45 H HIS 8 H HIS 8 -7.685 -4.934 -0.478 46 HA HIS 8 HA HIS 8 -7.083 -7.237 1.273 47 HB2 HIS 8 HB3 HIS 8 -6.601 -6.689 -1.666 48 HB3 HIS 8 HB2 HIS 8 -6.015 -8.139 -0.851 49 HD2 HIS 8 HD2 HIS 8 -9.515 -6.449 -1.625 50 HE1 HIS 8 HE1 HIS 8 -10.135 -10.540 -0.792 51 HE2 HIS 8 HE2 HIS 8 -11.259 -8.381 -1.518 52 H CYS 9 H CYS 9 -5.811 -4.299 1.097 53 HA CYS 9 HA CYS 9 -3.084 -4.522 0.478 54 HB2 CYS 9 HB3 CYS 9 -4.652 -2.858 2.405 55 HB3 CYS 9 HB2 CYS 9 -2.893 -2.847 2.537 56 H GLU 10 H GLU 10 -4.685 -5.284 3.595 57 HA GLU 10 HA GLU 10 -2.262 -6.149 4.883 58 HB2 GLU 10 HB3 GLU 10 -4.447 -5.581 6.049 59 HB3 GLU 10 HB2 GLU 10 -5.065 -7.136 5.484 60 HG2 GLU 10 HG3 GLU 10 -3.163 -8.273 6.620 61 HG3 GLU 10 HG2 GLU 10 -2.635 -6.712 7.250 62 H MET 11 H MET 11 -4.740 -7.798 2.967 63 HA MET 11 HA MET 11 -3.846 -10.474 3.360 64 HB2 MET 11 HB3 MET 11 -5.112 -9.252 0.893 65 HB3 MET 11 HB2 MET 11 -5.013 -10.977 1.248 66 HG2 MET 11 HG3 MET 11 -6.490 -8.889 2.875 67 HG3 MET 11 HG2 MET 11 -7.222 -10.144 1.876 68 HE1 MET 11 HE1 MET 11 -5.117 -12.842 2.828 69 HE2 MET 11 HE2 MET 11 -6.582 -12.414 1.944 70 HE3 MET 11 HE3 MET 11 -6.699 -13.364 3.422 71 H TRP 12 H TRP 12 -2.711 -7.909 1.254 72 HA TRP 12 HA TRP 12 -0.931 -9.729 -0.211 73 HB2 TRP 12 HB3 TRP 12 -1.073 -6.708 -0.290 74 HB3 TRP 12 HB2 TRP 12 -0.296 -7.754 -1.469 75 HD1 TRP 12 HD1 TRP 12 -2.963 -9.847 -1.067 76 HE1 TRP 12 HE1 TRP 12 -5.000 -9.290 -2.540 77 HE3 TRP 12 HE3 TRP 12 -1.885 -5.001 -2.271 78 HZ2 TRP 12 HZ2 TRP 12 -6.042 -7.090 -4.030 79 HZ3 TRP 12 HZ3 TRP 12 -3.421 -3.700 -3.717 80 HH2 TRP 12 HH2 TRP 12 -5.494 -4.734 -4.596 81 H GLN 13 H GLN 13 -0.546 -7.031 2.110 82 HA GLN 13 HA GLN 13 2.311 -7.163 2.144 83 HB2 GLN 13 HB3 GLN 13 2.218 -5.681 3.959 84 HB3 GLN 13 HB2 GLN 13 0.717 -5.345 3.099 85 HG2 GLN 13 HG3 GLN 13 -0.043 -5.576 5.294 86 HG3 GLN 13 HG2 GLN 13 -0.277 -7.204 4.662 87 HE21 GLN 13 HE21 GLN 13 0.057 -8.253 6.738 88 HE22 GLN 13 HE22 GLN 13 1.576 -8.280 7.494 89 H GLN 14 H GLN 14 -0.188 -8.872 3.947 90 HA GLN 14 HA GLN 14 1.574 -10.112 5.827 91 HB2 GLN 14 HB3 GLN 14 -0.261 -11.437 6.446 92 HB3 GLN 14 HB2 GLN 14 -1.028 -9.983 5.806 93 HG2 GLN 14 HG3 GLN 14 -1.140 -11.174 3.565 94 HG3 GLN 14 HG2 GLN 14 -0.671 -12.645 4.417 95 HE21 GLN 14 HE21 GLN 14 -2.794 -10.045 5.673 96 HE22 GLN 14 HE22 GLN 14 -4.172 -11.023 5.824 97 H LEU 15 H LEU 15 0.811 -10.740 2.483 98 HA LEU 15 HA LEU 15 2.125 -13.381 2.543 99 HB2 LEU 15 HB3 LEU 15 0.998 -11.738 0.255 100 HB3 LEU 15 HB2 LEU 15 1.662 -13.364 0.090 101 HG LEU 15 HG LEU 15 -0.678 -12.599 1.857 102 HD11 LEU 15 HD11 LEU 15 -1.929 -14.053 0.205 103 HD12 LEU 15 HD12 LEU 15 -0.493 -14.009 -0.817 104 HD13 LEU 15 HD13 LEU 15 -1.363 -12.517 -0.453 105 HD21 LEU 15 HD21 LEU 15 0.968 -15.054 1.501 106 HD22 LEU 15 HD22 LEU 15 -0.776 -15.284 1.637 107 HD23 LEU 15 HD23 LEU 15 0.111 -14.474 2.928 108 H GLY 16 H GLY 16 3.015 -10.121 2.280 109 HA2 GLY 16 HA3 GLY 16 5.360 -9.487 2.290 110 HA3 GLY 16 HA2 GLY 16 5.730 -10.959 1.395 111 H HIS 17 H HIS 17 2.979 -9.299 0.195 112 HA HIS 17 HA HIS 17 4.098 -8.871 -2.373 113 HB2 HIS 17 HB3 HIS 17 1.769 -7.526 -0.989 114 HB3 HIS 17 HB2 HIS 17 2.177 -7.242 -2.683 115 HD2 HIS 17 HD2 HIS 17 2.444 -10.862 -1.182 116 HE1 HIS 17 HE1 HIS 17 -0.785 -10.813 -3.903 117 HE2 HIS 17 HE2 HIS 17 0.657 -12.294 -2.432 118 H CYS 18 H CYS 18 4.266 -6.912 0.523 119 HA CYS 18 HA CYS 18 5.192 -4.525 -0.901 120 HB2 CYS 18 HB3 CYS 18 4.713 -5.322 1.923 121 HB3 CYS 18 HB2 CYS 18 5.991 -4.133 1.674 122 H GLN 19 H GLN 19 6.589 -7.190 0.949 123 HA GLN 19 HA GLN 19 9.325 -6.270 0.753 124 HB2 GLN 19 HB3 GLN 19 8.479 -7.923 2.457 125 HB3 GLN 19 HB2 GLN 19 8.306 -9.098 1.154 126 HG2 GLN 19 HG3 GLN 19 10.722 -8.861 0.639 127 HG3 GLN 19 HG2 GLN 19 10.884 -7.745 1.994 128 HE21 GLN 19 HE21 GLN 19 12.365 -10.162 2.006 129 HE22 GLN 19 HE22 GLN 19 11.741 -11.190 3.203 130 H TYR 20 H TYR 20 7.208 -8.294 -1.178 131 HA TYR 20 HA TYR 20 9.417 -8.869 -3.082 132 HB2 TYR 20 HB3 TYR 20 6.632 -10.006 -2.777 133 HB3 TYR 20 HB2 TYR 20 7.731 -10.451 -4.081 134 HD1 TYR 20 HD2 TYR 20 10.119 -11.226 -3.368 135 HD2 TYR 20 HD1 TYR 20 6.730 -11.143 -0.736 136 HE1 TYR 20 HE2 TYR 20 11.252 -12.838 -1.863 137 HE2 TYR 20 HE1 TYR 20 7.861 -12.751 0.772 138 HH TYR 20 HH TYR 20 10.003 -14.683 0.112 139 H SER 21 H SER 21 6.256 -7.249 -2.912 140 HA SER 21 HA SER 21 6.864 -6.136 -5.623 141 HB2 SER 21 HB3 SER 21 4.807 -7.886 -5.096 142 HB3 SER 21 HB2 SER 21 4.009 -6.323 -4.955 143 HG SER 21 HG SER 21 5.475 -6.037 -7.029 144 HA PRO 22 HA PRO 22 6.036 -2.745 -2.541 145 HB2 PRO 22 HB3 PRO 22 8.383 -1.399 -2.929 146 HB3 PRO 22 HB2 PRO 22 8.200 -2.702 -1.739 147 HG2 PRO 22 HG3 PRO 22 9.450 -2.758 -4.432 148 HG3 PRO 22 HG2 PRO 22 9.917 -3.602 -2.947 149 HD2 PRO 22 HD3 PRO 22 8.545 -4.788 -5.035 150 HD3 PRO 22 HD2 PRO 22 8.502 -5.370 -3.356 151 H LYS 23 H LYS 23 7.165 -2.895 -5.837 152 HA LYS 23 HA LYS 23 6.811 -0.181 -6.616 153 HB2 LYS 23 HB3 LYS 23 7.960 -1.901 -7.997 154 HB3 LYS 23 HB2 LYS 23 6.398 -2.665 -8.302 155 HG2 LYS 23 HG3 LYS 23 5.570 -0.550 -9.297 156 HG3 LYS 23 HG2 LYS 23 7.154 0.179 -9.032 157 HD2 LYS 23 HD3 LYS 23 8.144 -1.674 -10.434 158 HD3 LYS 23 HD2 LYS 23 6.495 -2.164 -10.831 159 HE2 LYS 23 HE3 LYS 23 8.056 0.105 -11.838 160 HE3 LYS 23 HE2 LYS 23 6.634 -0.674 -12.531 161 HZ1 LYS 23 HZ1 LYS 23 6.074 1.554 -11.930 162 HZ2 LYS 23 HZ2 LYS 23 6.682 1.347 -10.357 163 HZ3 LYS 23 HZ3 LYS 23 5.287 0.510 -10.849 164 H TYR 24 H TYR 24 4.473 -2.820 -6.256 165 HA TYR 24 HA TYR 24 2.354 -0.994 -7.303 166 HB2 TYR 24 HB3 TYR 24 2.096 -3.941 -6.667 167 HB3 TYR 24 HB2 TYR 24 1.018 -2.954 -7.655 168 HD1 TYR 24 HD1 TYR 24 4.286 -4.632 -7.492 169 HD2 TYR 24 HD2 TYR 24 1.629 -2.300 -9.931 170 HE1 TYR 24 HE1 TYR 24 5.656 -5.165 -9.489 171 HE2 TYR 24 HE2 TYR 24 3.002 -2.834 -11.933 172 HH TYR 24 HH TYR 24 5.684 -5.126 -11.757 173 H MET 25 H MET 25 3.537 -2.481 -4.382 174 HA MET 25 HA MET 25 1.005 -2.182 -2.948 175 HB2 MET 25 HB3 MET 25 3.845 -2.686 -2.037 176 HB3 MET 25 HB2 MET 25 2.488 -2.534 -0.923 177 HG2 MET 25 HG3 MET 25 2.592 -4.517 -3.210 178 HG3 MET 25 HG2 MET 25 3.000 -4.912 -1.542 179 HE1 MET 25 HE1 MET 25 1.133 -3.598 0.347 180 HE2 MET 25 HE2 MET 25 1.470 -5.323 0.298 181 HE3 MET 25 HE3 MET 25 -0.195 -4.759 0.425 182 H GLY 26 H GLY 26 4.017 -0.353 -3.271 183 HA2 GLY 26 HA3 GLY 26 3.413 1.668 -1.352 184 HA3 GLY 26 HA2 GLY 26 4.522 1.864 -2.710 185 H HIS 27 H HIS 27 2.353 1.132 -4.632 186 HA HIS 27 HA HIS 27 1.235 3.837 -4.897 187 HB2 HIS 27 HB3 HIS 27 2.150 2.518 -6.852 188 HB3 HIS 27 HB2 HIS 27 0.772 1.429 -6.674 189 HD2 HIS 27 HD2 HIS 27 -1.706 2.493 -7.557 190 HE1 HIS 27 HE1 HIS 27 -0.172 6.200 -8.878 191 HE2 HIS 27 HE2 HIS 27 -2.214 4.695 -8.863 192 H TYR 28 H TYR 28 0.312 0.911 -3.482 193 HA TYR 28 HA TYR 28 -2.551 1.770 -3.545 194 HB2 TYR 28 HB3 TYR 28 -1.294 -0.930 -3.837 195 HB3 TYR 28 HB2 TYR 28 -2.882 -0.802 -3.079 196 HD1 TYR 28 HD2 TYR 28 -0.955 -0.214 -6.177 197 HD2 TYR 28 HD1 TYR 28 -4.821 -0.093 -4.318 198 HE1 TYR 28 HE2 TYR 28 -2.018 0.046 -8.405 199 HE2 TYR 28 HE1 TYR 28 -5.885 0.168 -6.539 200 HH TYR 28 HH TYR 28 -4.144 -0.293 -9.474 201 H CYS 29 H CYS 29 -0.218 -0.196 -1.678 202 HA CYS 29 HA CYS 29 -1.712 0.609 0.772 203 HB2 CYS 29 HB3 CYS 29 0.331 -1.593 0.607 204 HB3 CYS 29 HB2 CYS 29 -0.970 -1.385 1.775 205 H LYS 30 H LYS 30 -0.757 2.331 1.749 206 HA LYS 30 HA LYS 30 2.151 2.754 1.468 207 HB2 LYS 30 HB3 LYS 30 0.404 4.466 3.191 208 HB3 LYS 30 HB2 LYS 30 1.771 4.932 2.180 209 HG2 LYS 30 HG3 LYS 30 -0.960 4.062 1.193 210 HG3 LYS 30 HG2 LYS 30 -0.339 5.710 1.180 211 HD2 LYS 30 HD3 LYS 30 1.097 3.456 -0.235 212 HD3 LYS 30 HD2 LYS 30 -0.170 4.393 -1.020 213 HE2 LYS 30 HE3 LYS 30 2.429 5.448 0.115 214 HE3 LYS 30 HE2 LYS 30 1.948 5.414 -1.578 215 HZ1 LYS 30 HZ1 LYS 30 0.978 7.134 0.594 216 HZ2 LYS 30 HZ2 LYS 30 -0.056 6.777 -0.708 217 HZ3 LYS 30 HZ3 LYS 30 1.432 7.548 -0.986 218 H LYS 31 H LYS 31 -0.165 2.520 4.183 219 HA LYS 31 HA LYS 31 1.810 2.320 6.235 220 HB2 LYS 31 HB3 LYS 31 -1.031 1.313 6.025 221 HB3 LYS 31 HB2 LYS 31 -0.083 1.198 7.505 222 HG2 LYS 31 HG3 LYS 31 -0.123 3.461 7.876 223 HG3 LYS 31 HG2 LYS 31 -0.151 3.846 6.155 224 HD2 LYS 31 HD3 LYS 31 -2.313 4.429 6.837 225 HD3 LYS 31 HD2 LYS 31 -2.544 2.796 6.219 226 HE2 LYS 31 HE3 LYS 31 -1.880 2.244 8.792 227 HE3 LYS 31 HE2 LYS 31 -2.679 3.801 9.002 228 HZ1 LYS 31 HZ1 LYS 31 -4.441 2.737 7.441 229 HZ2 LYS 31 HZ2 LYS 31 -4.440 2.369 9.100 230 HZ3 LYS 31 HZ3 LYS 31 -3.774 1.275 7.984 231 H ALA 32 H ALA 32 -0.010 -0.157 4.483 232 HA ALA 32 HA ALA 32 1.115 -2.430 5.710 233 HB1 ALA 32 HB1 ALA 32 -0.724 -2.022 3.753 234 HB2 ALA 32 HB2 ALA 32 -0.017 -3.594 4.109 235 HB3 ALA 32 HB3 ALA 32 0.633 -2.615 2.792 236 H CYS 33 H CYS 33 2.500 -0.144 3.522 237 HA CYS 33 HA CYS 33 4.835 -1.944 3.066 238 HB2 CYS 33 HB3 CYS 33 3.437 -0.038 1.415 239 HB3 CYS 33 HB2 CYS 33 5.115 0.447 1.594 240 H GLY 34 H GLY 34 6.961 -0.515 2.960 241 HA2 GLY 34 HA3 GLY 34 7.334 0.573 5.596 242 HA3 GLY 34 HA2 GLY 34 8.522 0.636 4.294 243 H LEU 35 H LEU 35 5.586 1.893 3.258 244 HA LEU 35 HA LEU 35 6.683 4.587 3.176 245 HB2 LEU 35 HB3 LEU 35 3.841 3.715 2.578 246 HB3 LEU 35 HB2 LEU 35 4.641 5.183 2.016 247 HG LEU 35 HG LEU 35 5.208 2.333 1.207 248 HD11 LEU 35 HD11 LEU 35 4.946 3.314 -1.065 249 HD12 LEU 35 HD12 LEU 35 4.547 4.859 -0.319 250 HD13 LEU 35 HD13 LEU 35 3.491 3.468 -0.084 251 HD21 LEU 35 HD21 LEU 35 7.065 3.453 -0.186 252 HD22 LEU 35 HD22 LEU 35 7.392 3.179 1.526 253 HD23 LEU 35 HD23 LEU 35 6.940 4.787 0.956 254 H CYS 36 H CYS 36 4.411 2.808 5.198 255 HA CYS 36 HA CYS 36 4.481 5.039 7.135 256 HB2 CYS 36 HB3 CYS 36 2.204 4.488 5.403 257 HB3 CYS 36 HB2 CYS 36 1.777 4.389 7.109 Start of MODEL 8 1 HA VAL 1 HA VAL 1 -1.442 12.145 3.509 2 HB VAL 1 HB VAL 1 -1.412 11.068 5.731 3 HG11 VAL 1 HG11 VAL 1 -1.928 13.359 5.856 4 HG12 VAL 1 HG12 VAL 1 -3.241 12.608 6.760 5 HG13 VAL 1 HG13 VAL 1 -3.505 13.140 5.101 6 HG21 VAL 1 HG21 VAL 1 -3.857 9.909 4.722 7 HG22 VAL 1 HG22 VAL 1 -4.185 10.750 6.235 8 HG23 VAL 1 HG23 VAL 1 -2.959 9.485 6.177 9 H CYS 2 H CYS 2 -1.568 9.307 5.076 10 HA CYS 2 HA CYS 2 -1.002 7.709 2.605 11 HB2 CYS 2 HB3 CYS 2 0.756 6.565 3.863 12 HB3 CYS 2 HB2 CYS 2 1.040 8.303 3.937 13 H GLU 3 H GLU 3 -2.295 5.906 2.437 14 HA GLU 3 HA GLU 3 -3.069 4.381 4.792 15 HB2 GLU 3 HB3 GLU 3 -5.385 4.805 4.843 16 HB3 GLU 3 HB2 GLU 3 -4.685 6.408 4.634 17 HG2 GLU 3 HG3 GLU 3 -5.002 6.160 2.157 18 HG3 GLU 3 HG2 GLU 3 -5.847 4.644 2.460 19 H ASP 4 H ASP 4 -4.257 2.402 4.188 20 HA ASP 4 HA ASP 4 -3.273 1.273 1.758 21 HB2 ASP 4 HB3 ASP 4 -4.783 -0.633 2.300 22 HB3 ASP 4 HB2 ASP 4 -3.776 -0.145 3.664 23 H LEU 5 H LEU 5 -4.031 1.496 -0.268 24 HA LEU 5 HA LEU 5 -6.560 2.865 -0.767 25 HB2 LEU 5 HB3 LEU 5 -4.571 1.544 -2.639 26 HB3 LEU 5 HB2 LEU 5 -5.972 2.472 -3.173 27 HG LEU 5 HG LEU 5 -3.696 3.520 -1.458 28 HD11 LEU 5 HD11 LEU 5 -3.973 3.237 -4.279 29 HD12 LEU 5 HD12 LEU 5 -2.698 4.081 -3.395 30 HD13 LEU 5 HD13 LEU 5 -4.143 4.949 -3.905 31 HD21 LEU 5 HD21 LEU 5 -5.450 4.847 -0.756 32 HD22 LEU 5 HD22 LEU 5 -6.374 4.590 -2.234 33 HD23 LEU 5 HD23 LEU 5 -5.019 5.719 -2.229 34 H ASN 6 H ASN 6 -5.325 -0.438 -1.054 35 HA ASN 6 HA ASN 6 -8.045 -1.349 -1.859 36 HB2 ASN 6 HB3 ASN 6 -5.277 -2.387 -2.205 37 HB3 ASN 6 HB2 ASN 6 -6.549 -3.592 -1.988 38 HD21 ASN 6 HD21 ASN 6 -4.910 -2.124 -4.406 39 HD22 ASN 6 HD22 ASN 6 -6.119 -2.039 -5.594 40 H ALA 7 H ALA 7 -9.252 -2.642 -0.485 41 HA ALA 7 HA ALA 7 -8.596 -2.685 2.309 42 HB1 ALA 7 HB1 ALA 7 -10.916 -2.886 1.136 43 HB2 ALA 7 HB2 ALA 7 -10.641 -3.812 2.611 44 HB3 ALA 7 HB3 ALA 7 -10.543 -4.606 1.041 45 H HIS 8 H HIS 8 -7.855 -4.820 -0.326 46 HA HIS 8 HA HIS 8 -7.194 -7.100 1.397 47 HB2 HIS 8 HB3 HIS 8 -6.720 -6.551 -1.548 48 HB3 HIS 8 HB2 HIS 8 -6.311 -8.069 -0.748 49 HD2 HIS 8 HD2 HIS 8 -9.313 -7.724 1.086 50 HE1 HIS 8 HE1 HIS 8 -10.880 -8.709 -2.710 51 HE2 HIS 8 HE2 HIS 8 -11.401 -8.563 -0.233 52 H CYS 9 H CYS 9 -5.773 -4.224 1.181 53 HA CYS 9 HA CYS 9 -3.086 -4.593 0.458 54 HB2 CYS 9 HB3 CYS 9 -4.481 -2.860 2.458 55 HB3 CYS 9 HB2 CYS 9 -2.722 -2.951 2.522 56 H GLU 10 H GLU 10 -4.648 -5.316 3.589 57 HA GLU 10 HA GLU 10 -2.276 -6.262 4.887 58 HB2 GLU 10 HB3 GLU 10 -4.482 -5.726 6.008 59 HB3 GLU 10 HB2 GLU 10 -5.108 -7.239 5.353 60 HG2 GLU 10 HG3 GLU 10 -3.279 -8.467 6.503 61 HG3 GLU 10 HG2 GLU 10 -2.733 -6.946 7.212 62 H MET 11 H MET 11 -4.713 -7.839 2.872 63 HA MET 11 HA MET 11 -3.815 -10.524 3.173 64 HB2 MET 11 HB3 MET 11 -5.148 -9.145 0.828 65 HB3 MET 11 HB2 MET 11 -4.972 -10.893 0.989 66 HG2 MET 11 HG3 MET 11 -6.190 -10.751 3.181 67 HG3 MET 11 HG2 MET 11 -6.490 -9.043 2.847 68 HE1 MET 11 HE1 MET 11 -8.184 -12.770 0.901 69 HE2 MET 11 HE2 MET 11 -6.791 -12.581 1.965 70 HE3 MET 11 HE3 MET 11 -6.627 -12.243 0.243 71 H TRP 12 H TRP 12 -2.714 -7.894 1.098 72 HA TRP 12 HA TRP 12 -0.894 -9.670 -0.374 73 HB2 TRP 12 HB3 TRP 12 -1.086 -6.653 -0.437 74 HB3 TRP 12 HB2 TRP 12 -0.299 -7.681 -1.627 75 HD1 TRP 12 HD1 TRP 12 -2.844 -9.866 -1.357 76 HE1 TRP 12 HE1 TRP 12 -4.939 -9.320 -2.755 77 HE3 TRP 12 HE3 TRP 12 -2.076 -4.889 -2.198 78 HZ2 TRP 12 HZ2 TRP 12 -6.134 -7.070 -4.057 79 HZ3 TRP 12 HZ3 TRP 12 -3.708 -3.567 -3.515 80 HH2 TRP 12 HH2 TRP 12 -5.736 -4.654 -4.444 81 H GLN 13 H GLN 13 -0.588 -7.074 2.064 82 HA GLN 13 HA GLN 13 2.300 -7.146 2.076 83 HB2 GLN 13 HB3 GLN 13 2.182 -5.625 3.839 84 HB3 GLN 13 HB2 GLN 13 0.650 -5.341 3.009 85 HG2 GLN 13 HG3 GLN 13 -0.057 -5.560 5.226 86 HG3 GLN 13 HG2 GLN 13 -0.248 -7.208 4.631 87 HE21 GLN 13 HE21 GLN 13 0.177 -8.242 6.676 88 HE22 GLN 13 HE22 GLN 13 1.706 -8.191 7.417 89 H GLN 14 H GLN 14 -0.203 -8.895 3.848 90 HA GLN 14 HA GLN 14 1.535 -10.054 5.807 91 HB2 GLN 14 HB3 GLN 14 -0.256 -11.514 6.324 92 HB3 GLN 14 HB2 GLN 14 -1.045 -10.040 5.763 93 HG2 GLN 14 HG3 GLN 14 -1.115 -11.094 3.453 94 HG3 GLN 14 HG2 GLN 14 -0.611 -12.603 4.218 95 HE21 GLN 14 HE21 GLN 14 -2.846 -10.096 5.487 96 HE22 GLN 14 HE22 GLN 14 -4.185 -11.132 5.624 97 H LEU 15 H LEU 15 0.827 -10.805 2.473 98 HA LEU 15 HA LEU 15 2.245 -13.381 2.610 99 HB2 LEU 15 HB3 LEU 15 1.080 -11.830 0.283 100 HB3 LEU 15 HB2 LEU 15 1.789 -13.442 0.159 101 HG LEU 15 HG LEU 15 -0.586 -12.687 1.889 102 HD11 LEU 15 HD11 LEU 15 -1.876 -13.166 0.107 103 HD12 LEU 15 HD12 LEU 15 -1.049 -14.709 -0.121 104 HD13 LEU 15 HD13 LEU 15 -0.416 -13.247 -0.878 105 HD21 LEU 15 HD21 LEU 15 1.145 -15.100 1.633 106 HD22 LEU 15 HD22 LEU 15 -0.590 -15.385 1.765 107 HD23 LEU 15 HD23 LEU 15 0.257 -14.498 3.034 108 H GLY 16 H GLY 16 3.087 -10.150 2.397 109 HA2 GLY 16 HA3 GLY 16 5.378 -9.420 2.340 110 HA3 GLY 16 HA2 GLY 16 5.806 -10.902 1.494 111 H HIS 17 H HIS 17 3.018 -9.363 0.208 112 HA HIS 17 HA HIS 17 4.095 -8.999 -2.360 113 HB2 HIS 17 HB3 HIS 17 1.845 -7.599 -0.921 114 HB3 HIS 17 HB2 HIS 17 2.263 -7.189 -2.584 115 HD2 HIS 17 HD2 HIS 17 2.282 -10.924 -1.267 116 HE1 HIS 17 HE1 HIS 17 -0.723 -10.540 -4.212 117 HE2 HIS 17 HE2 HIS 17 0.514 -12.178 -2.723 118 H CYS 18 H CYS 18 4.350 -6.946 0.475 119 HA CYS 18 HA CYS 18 5.433 -4.653 -0.970 120 HB2 CYS 18 HB3 CYS 18 5.088 -5.438 1.901 121 HB3 CYS 18 HB2 CYS 18 6.298 -4.211 1.524 122 H GLN 19 H GLN 19 6.684 -7.405 0.841 123 HA GLN 19 HA GLN 19 9.464 -6.638 0.581 124 HB2 GLN 19 HB3 GLN 19 8.516 -8.209 2.332 125 HB3 GLN 19 HB2 GLN 19 8.342 -9.413 1.052 126 HG2 GLN 19 HG3 GLN 19 10.752 -9.294 0.590 127 HG3 GLN 19 HG2 GLN 19 10.942 -8.071 1.849 128 HE21 GLN 19 HE21 GLN 19 8.591 -9.955 3.109 129 HE22 GLN 19 HE22 GLN 19 9.521 -11.095 3.948 130 H TYR 20 H TYR 20 7.183 -8.533 -1.302 131 HA TYR 20 HA TYR 20 9.339 -9.346 -3.172 132 HB2 TYR 20 HB3 TYR 20 6.426 -10.142 -2.954 133 HB3 TYR 20 HB2 TYR 20 7.520 -10.742 -4.202 134 HD1 TYR 20 HD1 TYR 20 9.756 -11.801 -3.374 135 HD2 TYR 20 HD2 TYR 20 6.299 -11.239 -0.884 136 HE1 TYR 20 HE1 TYR 20 10.611 -13.516 -1.799 137 HE2 TYR 20 HE2 TYR 20 7.157 -12.955 0.690 138 HH TYR 20 HH TYR 20 8.829 -14.319 1.184 139 H SER 21 H SER 21 6.203 -7.605 -3.234 140 HA SER 21 HA SER 21 7.137 -6.342 -5.777 141 HB2 SER 21 HB3 SER 21 5.243 -8.165 -5.892 142 HB3 SER 21 HB2 SER 21 4.221 -6.866 -5.290 143 HG SER 21 HG SER 21 5.707 -5.841 -7.202 144 HA PRO 22 HA PRO 22 5.856 -3.147 -2.610 145 HB2 PRO 22 HB3 PRO 22 8.148 -1.670 -2.743 146 HB3 PRO 22 HB2 PRO 22 7.949 -3.046 -1.642 147 HG2 PRO 22 HG3 PRO 22 9.365 -2.899 -4.253 148 HG3 PRO 22 HG2 PRO 22 9.809 -3.767 -2.775 149 HD2 PRO 22 HD3 PRO 22 8.665 -4.985 -4.954 150 HD3 PRO 22 HD2 PRO 22 8.493 -5.590 -3.291 151 H LYS 23 H LYS 23 7.112 -3.108 -5.832 152 HA LYS 23 HA LYS 23 6.871 -0.371 -6.506 153 HB2 LYS 23 HB3 LYS 23 6.422 -2.835 -8.215 154 HB3 LYS 23 HB2 LYS 23 6.620 -1.198 -8.845 155 HG2 LYS 23 HG3 LYS 23 8.842 -1.065 -7.727 156 HG3 LYS 23 HG2 LYS 23 8.648 -2.739 -7.198 157 HD2 LYS 23 HD3 LYS 23 8.433 -3.432 -9.586 158 HD3 LYS 23 HD2 LYS 23 8.744 -1.762 -10.069 159 HE2 LYS 23 HE3 LYS 23 10.807 -3.146 -10.142 160 HE3 LYS 23 HE2 LYS 23 10.938 -1.828 -8.978 161 HZ1 LYS 23 HZ1 LYS 23 10.251 -3.422 -7.239 162 HZ2 LYS 23 HZ2 LYS 23 11.732 -3.826 -7.969 163 HZ3 LYS 23 HZ3 LYS 23 10.317 -4.669 -8.387 164 H TYR 24 H TYR 24 4.392 -2.880 -6.225 165 HA TYR 24 HA TYR 24 2.380 -0.910 -7.207 166 HB2 TYR 24 HB3 TYR 24 2.018 -3.867 -6.671 167 HB3 TYR 24 HB2 TYR 24 0.905 -2.801 -7.527 168 HD1 TYR 24 HD1 TYR 24 4.162 -4.533 -7.686 169 HD2 TYR 24 HD2 TYR 24 1.351 -2.080 -9.813 170 HE1 TYR 24 HE1 TYR 24 5.360 -5.002 -9.810 171 HE2 TYR 24 HE2 TYR 24 2.545 -2.547 -11.933 172 HH TYR 24 HH TYR 24 5.609 -3.813 -12.083 173 H MET 25 H MET 25 3.529 -2.456 -4.330 174 HA MET 25 HA MET 25 1.041 -2.108 -2.829 175 HB2 MET 25 HB3 MET 25 3.890 -2.657 -1.961 176 HB3 MET 25 HB2 MET 25 2.529 -2.571 -0.850 177 HG2 MET 25 HG3 MET 25 2.690 -4.456 -3.218 178 HG3 MET 25 HG2 MET 25 3.060 -4.915 -1.555 179 HE1 MET 25 HE1 MET 25 -0.171 -4.844 0.339 180 HE2 MET 25 HE2 MET 25 1.133 -3.666 0.331 181 HE3 MET 25 HE3 MET 25 1.509 -5.385 0.232 182 H GLY 26 H GLY 26 4.118 -0.368 -3.158 183 HA2 GLY 26 HA3 GLY 26 3.572 1.659 -1.225 184 HA3 GLY 26 HA2 GLY 26 4.683 1.837 -2.584 185 H HIS 27 H HIS 27 2.490 1.156 -4.489 186 HA HIS 27 HA HIS 27 1.428 3.888 -4.733 187 HB2 HIS 27 HB3 HIS 27 2.387 2.646 -6.689 188 HB3 HIS 27 HB2 HIS 27 1.037 1.515 -6.575 189 HD2 HIS 27 HD2 HIS 27 -1.415 2.500 -7.551 190 HE1 HIS 27 HE1 HIS 27 -0.043 6.366 -8.540 191 HE2 HIS 27 HE2 HIS 27 -2.003 4.764 -8.700 192 H TYR 28 H TYR 28 0.428 0.942 -3.396 193 HA TYR 28 HA TYR 28 -2.414 1.859 -3.488 194 HB2 TYR 28 HB3 TYR 28 -1.222 -0.854 -3.889 195 HB3 TYR 28 HB2 TYR 28 -2.796 -0.737 -3.098 196 HD1 TYR 28 HD2 TYR 28 -0.903 0.016 -6.182 197 HD2 TYR 28 HD1 TYR 28 -4.761 0.004 -4.301 198 HE1 TYR 28 HE2 TYR 28 -1.974 0.409 -8.382 199 HE2 TYR 28 HE1 TYR 28 -5.835 0.401 -6.500 200 HH TYR 28 HH TYR 28 -5.010 -0.153 -9.077 201 H CYS 29 H CYS 29 -0.119 -0.173 -1.635 202 HA CYS 29 HA CYS 29 -1.654 0.570 0.805 203 HB2 CYS 29 HB3 CYS 29 0.480 -1.551 0.623 204 HB3 CYS 29 HB2 CYS 29 -0.812 -1.395 1.814 205 H LYS 30 H LYS 30 -0.790 2.323 1.801 206 HA LYS 30 HA LYS 30 2.085 2.898 1.525 207 HB2 LYS 30 HB3 LYS 30 0.288 4.494 3.302 208 HB3 LYS 30 HB2 LYS 30 1.578 5.047 2.237 209 HG2 LYS 30 HG3 LYS 30 -1.162 4.062 1.387 210 HG3 LYS 30 HG2 LYS 30 -0.580 5.721 1.309 211 HD2 LYS 30 HD3 LYS 30 0.836 3.484 -0.152 212 HD3 LYS 30 HD2 LYS 30 -0.515 4.350 -0.870 213 HE2 LYS 30 HE3 LYS 30 2.084 5.566 0.102 214 HE3 LYS 30 HE2 LYS 30 1.548 5.420 -1.571 215 HZ1 LYS 30 HZ1 LYS 30 -0.424 6.777 -0.914 216 HZ2 LYS 30 HZ2 LYS 30 1.061 7.606 -0.880 217 HZ3 LYS 30 HZ3 LYS 30 0.345 7.077 0.569 218 H LYS 31 H LYS 31 -0.218 2.471 4.213 219 HA LYS 31 HA LYS 31 1.743 2.328 6.296 220 HB2 LYS 31 HB3 LYS 31 -1.063 1.229 6.044 221 HB3 LYS 31 HB2 LYS 31 -0.126 1.125 7.530 222 HG2 LYS 31 HG3 LYS 31 -0.159 3.421 7.878 223 HG3 LYS 31 HG2 LYS 31 -0.399 3.782 6.171 224 HD2 LYS 31 HD3 LYS 31 -2.545 4.158 6.856 225 HD3 LYS 31 HD2 LYS 31 -2.683 2.413 6.678 226 HE2 LYS 31 HE3 LYS 31 -2.220 4.003 9.199 227 HE3 LYS 31 HE2 LYS 31 -3.529 2.875 8.846 228 HZ1 LYS 31 HZ1 LYS 31 -0.729 2.316 9.535 229 HZ2 LYS 31 HZ2 LYS 31 -1.579 1.204 8.573 230 HZ3 LYS 31 HZ3 LYS 31 -2.146 1.595 10.125 231 H ALA 32 H ALA 32 0.006 -0.198 4.504 232 HA ALA 32 HA ALA 32 1.185 -2.439 5.757 233 HB1 ALA 32 HB1 ALA 32 -0.677 -2.099 3.809 234 HB2 ALA 32 HB2 ALA 32 0.065 -3.647 4.194 235 HB3 ALA 32 HB3 ALA 32 0.685 -2.686 2.853 236 H CYS 33 H CYS 33 2.497 -0.205 3.451 237 HA CYS 33 HA CYS 33 4.864 -1.982 3.074 238 HB2 CYS 33 HB3 CYS 33 3.423 -0.258 1.301 239 HB3 CYS 33 HB2 CYS 33 5.044 0.389 1.500 240 H GLY 34 H GLY 34 6.866 -0.229 2.671 241 HA2 GLY 34 HA3 GLY 34 7.269 0.872 5.341 242 HA3 GLY 34 HA2 GLY 34 8.436 0.912 4.021 243 H LEU 35 H LEU 35 5.148 2.160 3.589 244 HA LEU 35 HA LEU 35 6.385 4.836 3.165 245 HB2 LEU 35 HB3 LEU 35 3.551 3.970 2.579 246 HB3 LEU 35 HB2 LEU 35 4.375 5.399 1.963 247 HG LEU 35 HG LEU 35 4.881 2.509 1.266 248 HD11 LEU 35 HD11 LEU 35 3.253 3.553 -0.140 249 HD12 LEU 35 HD12 LEU 35 4.760 3.541 -1.057 250 HD13 LEU 35 HD13 LEU 35 4.217 5.023 -0.271 251 HD21 LEU 35 HD21 LEU 35 6.809 3.514 -0.115 252 HD22 LEU 35 HD22 LEU 35 7.084 3.319 1.614 253 HD23 LEU 35 HD23 LEU 35 6.689 4.904 0.955 254 H CYS 36 H CYS 36 4.253 3.114 5.299 255 HA CYS 36 HA CYS 36 4.210 5.413 7.116 256 HB2 CYS 36 HB3 CYS 36 1.997 4.900 5.334 257 HB3 CYS 36 HB2 CYS 36 1.494 4.652 7.007 Start of MODEL 9 1 HA VAL 1 HA VAL 1 -0.943 11.275 5.245 2 HB VAL 1 HB VAL 1 -3.280 12.062 5.616 3 HG11 VAL 1 HG11 VAL 1 -4.489 9.645 4.472 4 HG12 VAL 1 HG12 VAL 1 -3.802 10.719 3.253 5 HG13 VAL 1 HG13 VAL 1 -5.023 11.323 4.371 6 HG21 VAL 1 HG21 VAL 1 -3.830 10.331 7.113 7 HG22 VAL 1 HG22 VAL 1 -2.087 10.143 6.907 8 HG23 VAL 1 HG23 VAL 1 -3.196 9.080 6.040 9 H CYS 2 H CYS 2 -0.809 8.950 5.638 10 HA CYS 2 HA CYS 2 -0.715 7.418 3.083 11 HB2 CYS 2 HB3 CYS 2 0.477 5.955 5.190 12 HB3 CYS 2 HB2 CYS 2 1.295 6.761 3.850 13 H GLU 3 H GLU 3 -2.042 5.677 2.808 14 HA GLU 3 HA GLU 3 -3.138 4.198 5.056 15 HB2 GLU 3 HB3 GLU 3 -5.438 4.779 4.852 16 HB3 GLU 3 HB2 GLU 3 -4.578 6.319 4.882 17 HG2 GLU 3 HG3 GLU 3 -4.598 6.313 2.373 18 HG3 GLU 3 HG2 GLU 3 -5.608 4.867 2.427 19 H ASP 4 H ASP 4 -4.427 2.355 4.309 20 HA ASP 4 HA ASP 4 -3.348 1.264 1.869 21 HB2 ASP 4 HB3 ASP 4 -4.790 -0.675 2.360 22 HB3 ASP 4 HB2 ASP 4 -3.891 -0.166 3.786 23 H LEU 5 H LEU 5 -4.187 1.303 -0.155 24 HA LEU 5 HA LEU 5 -6.740 2.760 -0.561 25 HB2 LEU 5 HB3 LEU 5 -4.608 1.815 -2.508 26 HB3 LEU 5 HB2 LEU 5 -6.026 2.772 -2.948 27 HG LEU 5 HG LEU 5 -3.944 3.647 -0.920 28 HD11 LEU 5 HD11 LEU 5 -2.668 4.119 -2.737 29 HD12 LEU 5 HD12 LEU 5 -3.853 5.371 -3.099 30 HD13 LEU 5 HD13 LEU 5 -3.993 3.782 -3.849 31 HD21 LEU 5 HD21 LEU 5 -5.803 4.899 -0.375 32 HD22 LEU 5 HD22 LEU 5 -6.504 4.749 -1.986 33 HD23 LEU 5 HD23 LEU 5 -5.191 5.890 -1.702 34 H ASN 6 H ASN 6 -5.312 -0.418 -0.853 35 HA ASN 6 HA ASN 6 -7.774 -1.448 -2.186 36 HB2 ASN 6 HB3 ASN 6 -5.397 -1.975 -3.064 37 HB3 ASN 6 HB2 ASN 6 -5.254 -3.032 -1.658 38 HD21 ASN 6 HD21 ASN 6 -7.326 -2.430 -4.524 39 HD22 ASN 6 HD22 ASN 6 -7.883 -4.027 -4.651 40 H ALA 7 H ALA 7 -9.116 -2.868 -1.097 41 HA ALA 7 HA ALA 7 -8.976 -2.996 1.770 42 HB1 ALA 7 HB1 ALA 7 -10.759 -4.847 1.391 43 HB2 ALA 7 HB2 ALA 7 -10.624 -4.427 -0.316 44 HB3 ALA 7 HB3 ALA 7 -11.146 -3.213 0.852 45 H HIS 8 H HIS 8 -7.592 -4.917 -0.753 46 HA HIS 8 HA HIS 8 -7.065 -7.191 1.061 47 HB2 HIS 8 HB3 HIS 8 -6.320 -6.743 -1.843 48 HB3 HIS 8 HB2 HIS 8 -6.049 -8.233 -0.946 49 HD2 HIS 8 HD2 HIS 8 -9.253 -7.646 0.498 50 HE1 HIS 8 HE1 HIS 8 -10.375 -8.874 -3.384 51 HE2 HIS 8 HE2 HIS 8 -11.194 -8.521 -1.008 52 H CYS 9 H CYS 9 -5.744 -4.273 0.916 53 HA CYS 9 HA CYS 9 -3.009 -4.533 0.363 54 HB2 CYS 9 HB3 CYS 9 -4.558 -2.918 2.360 55 HB3 CYS 9 HB2 CYS 9 -2.796 -2.910 2.426 56 H GLU 10 H GLU 10 -4.677 -5.250 3.453 57 HA GLU 10 HA GLU 10 -2.359 -6.200 4.823 58 HB2 GLU 10 HB3 GLU 10 -4.602 -5.686 5.890 59 HB3 GLU 10 HB2 GLU 10 -5.189 -7.210 5.221 60 HG2 GLU 10 HG3 GLU 10 -3.381 -8.415 6.407 61 HG3 GLU 10 HG2 GLU 10 -2.844 -6.893 7.113 62 H MET 11 H MET 11 -4.759 -7.846 2.794 63 HA MET 11 HA MET 11 -3.811 -10.504 3.157 64 HB2 MET 11 HB3 MET 11 -5.131 -9.224 0.749 65 HB3 MET 11 HB2 MET 11 -4.900 -10.956 0.946 66 HG2 MET 11 HG3 MET 11 -6.193 -10.796 3.111 67 HG3 MET 11 HG2 MET 11 -6.554 -9.119 2.697 68 HE1 MET 11 HE1 MET 11 -6.742 -12.709 2.011 69 HE2 MET 11 HE2 MET 11 -6.471 -12.458 0.287 70 HE3 MET 11 HE3 MET 11 -8.053 -12.988 0.857 71 H TRP 12 H TRP 12 -2.711 -7.900 1.031 72 HA TRP 12 HA TRP 12 -0.842 -9.698 -0.347 73 HB2 TRP 12 HB3 TRP 12 -1.048 -6.683 -0.487 74 HB3 TRP 12 HB2 TRP 12 -0.192 -7.724 -1.610 75 HD1 TRP 12 HD1 TRP 12 -2.764 -9.910 -1.426 76 HE1 TRP 12 HE1 TRP 12 -4.765 -9.392 -2.970 77 HE3 TRP 12 HE3 TRP 12 -1.910 -4.959 -2.347 78 HZ2 TRP 12 HZ2 TRP 12 -5.859 -7.159 -4.412 79 HZ3 TRP 12 HZ3 TRP 12 -3.442 -3.664 -3.801 80 HH2 TRP 12 HH2 TRP 12 -5.409 -4.755 -4.834 81 H GLN 13 H GLN 13 -0.622 -6.997 1.986 82 HA GLN 13 HA GLN 13 2.248 -7.023 2.116 83 HB2 GLN 13 HB3 GLN 13 2.030 -5.471 3.859 84 HB3 GLN 13 HB2 GLN 13 0.523 -5.241 2.965 85 HG2 GLN 13 HG3 GLN 13 -0.257 -5.446 5.158 86 HG3 GLN 13 HG2 GLN 13 -0.397 -7.096 4.567 87 HE21 GLN 13 HE21 GLN 13 -0.034 -8.167 6.560 88 HE22 GLN 13 HE22 GLN 13 1.424 -8.065 7.422 89 H GLN 14 H GLN 14 -0.273 -8.784 3.839 90 HA GLN 14 HA GLN 14 1.450 -9.881 5.849 91 HB2 GLN 14 HB3 GLN 14 -0.349 -11.296 6.407 92 HB3 GLN 14 HB2 GLN 14 -1.135 -9.866 5.747 93 HG2 GLN 14 HG3 GLN 14 -1.185 -11.039 3.508 94 HG3 GLN 14 HG2 GLN 14 -0.650 -12.499 4.337 95 HE21 GLN 14 HE21 GLN 14 -2.898 -10.016 5.597 96 HE22 GLN 14 HE22 GLN 14 -4.230 -11.058 5.733 97 H LEU 15 H LEU 15 0.771 -10.696 2.531 98 HA LEU 15 HA LEU 15 2.188 -13.270 2.673 99 HB2 LEU 15 HB3 LEU 15 1.078 -11.677 0.350 100 HB3 LEU 15 HB2 LEU 15 1.797 -13.278 0.197 101 HG LEU 15 HG LEU 15 -0.609 -12.588 1.908 102 HD11 LEU 15 HD11 LEU 15 -1.111 -12.502 -0.497 103 HD12 LEU 15 HD12 LEU 15 -1.853 -13.923 0.232 104 HD13 LEU 15 HD13 LEU 15 -0.377 -14.088 -0.718 105 HD21 LEU 15 HD21 LEU 15 0.297 -14.439 2.972 106 HD22 LEU 15 HD22 LEU 15 1.060 -15.040 1.501 107 HD23 LEU 15 HD23 LEU 15 -0.677 -15.240 1.740 108 H GLY 16 H GLY 16 3.079 -10.048 2.537 109 HA2 GLY 16 HA3 GLY 16 5.369 -9.329 2.503 110 HA3 GLY 16 HA2 GLY 16 5.798 -10.830 1.689 111 H HIS 17 H HIS 17 3.061 -9.374 0.264 112 HA HIS 17 HA HIS 17 4.225 -9.030 -2.264 113 HB2 HIS 17 HB3 HIS 17 1.901 -7.628 -0.940 114 HB3 HIS 17 HB2 HIS 17 2.363 -7.278 -2.604 115 HD2 HIS 17 HD2 HIS 17 2.388 -10.939 -1.121 116 HE1 HIS 17 HE1 HIS 17 -0.504 -10.748 -4.189 117 HE2 HIS 17 HE2 HIS 17 0.703 -12.291 -2.581 118 H CYS 18 H CYS 18 4.391 -6.951 0.546 119 HA CYS 18 HA CYS 18 5.425 -4.658 -0.936 120 HB2 CYS 18 HB3 CYS 18 4.957 -5.355 1.930 121 HB3 CYS 18 HB2 CYS 18 6.190 -4.136 1.595 122 H GLN 19 H GLN 19 6.723 -7.304 0.994 123 HA GLN 19 HA GLN 19 9.478 -6.454 0.774 124 HB2 GLN 19 HB3 GLN 19 8.555 -8.041 2.517 125 HB3 GLN 19 HB2 GLN 19 8.425 -9.252 1.242 126 HG2 GLN 19 HG3 GLN 19 10.865 -8.993 0.788 127 HG3 GLN 19 HG2 GLN 19 10.967 -7.882 2.160 128 HE21 GLN 19 HE21 GLN 19 12.493 -10.208 2.325 129 HE22 GLN 19 HE22 GLN 19 11.807 -11.270 3.456 130 H TYR 20 H TYR 20 7.271 -8.381 -1.129 131 HA TYR 20 HA TYR 20 9.462 -9.188 -2.965 132 HB2 TYR 20 HB3 TYR 20 6.550 -10.018 -2.898 133 HB3 TYR 20 HB2 TYR 20 7.791 -10.702 -3.945 134 HD1 TYR 20 HD1 TYR 20 10.045 -11.375 -2.542 135 HD2 TYR 20 HD2 TYR 20 6.040 -11.236 -0.996 136 HE1 TYR 20 HE1 TYR 20 10.685 -12.951 -0.734 137 HE2 TYR 20 HE2 TYR 20 6.679 -12.806 0.809 138 HH TYR 20 HH TYR 20 9.040 -14.751 0.798 139 H SER 21 H SER 21 6.196 -7.699 -3.149 140 HA SER 21 HA SER 21 7.144 -6.354 -5.650 141 HB2 SER 21 HB3 SER 21 5.300 -8.247 -5.742 142 HB3 SER 21 HB2 SER 21 4.243 -6.939 -5.224 143 HG SER 21 HG SER 21 4.409 -7.065 -7.507 144 HA PRO 22 HA PRO 22 5.675 -3.185 -2.561 145 HB2 PRO 22 HB3 PRO 22 7.921 -1.616 -2.688 146 HB3 PRO 22 HB2 PRO 22 7.727 -2.952 -1.542 147 HG2 PRO 22 HG3 PRO 22 9.271 -2.838 -4.069 148 HG3 PRO 22 HG2 PRO 22 9.620 -3.702 -2.563 149 HD2 PRO 22 HD3 PRO 22 8.596 -4.903 -4.838 150 HD3 PRO 22 HD2 PRO 22 8.416 -5.551 -3.195 151 H LYS 23 H LYS 23 6.911 -3.176 -5.783 152 HA LYS 23 HA LYS 23 6.583 -0.449 -6.484 153 HB2 LYS 23 HB3 LYS 23 6.254 -2.942 -8.172 154 HB3 LYS 23 HB2 LYS 23 6.343 -1.305 -8.817 155 HG2 LYS 23 HG3 LYS 23 8.555 -1.026 -7.681 156 HG3 LYS 23 HG2 LYS 23 8.479 -2.720 -7.196 157 HD2 LYS 23 HD3 LYS 23 8.300 -3.353 -9.611 158 HD3 LYS 23 HD2 LYS 23 8.528 -1.658 -10.036 159 HE2 LYS 23 HE3 LYS 23 10.479 -3.382 -8.486 160 HE3 LYS 23 HE2 LYS 23 10.672 -2.841 -10.155 161 HZ1 LYS 23 HZ1 LYS 23 11.879 -1.299 -8.960 162 HZ2 LYS 23 HZ2 LYS 23 10.777 -1.260 -7.669 163 HZ3 LYS 23 HZ3 LYS 23 10.389 -0.511 -9.142 164 H TYR 24 H TYR 24 4.195 -2.998 -6.089 165 HA TYR 24 HA TYR 24 2.118 -1.151 -7.174 166 HB2 TYR 24 HB3 TYR 24 1.851 -4.086 -6.466 167 HB3 TYR 24 HB2 TYR 24 0.692 -3.098 -7.362 168 HD1 TYR 24 HD1 TYR 24 1.195 -2.332 -9.663 169 HD2 TYR 24 HD2 TYR 24 3.876 -4.906 -7.507 170 HE1 TYR 24 HE1 TYR 24 2.377 -2.873 -11.775 171 HE2 TYR 24 HE2 TYR 24 5.059 -5.444 -9.618 172 HH TYR 24 HH TYR 24 4.186 -3.855 -12.672 173 H MET 25 H MET 25 3.371 -2.459 -4.252 174 HA MET 25 HA MET 25 0.878 -2.115 -2.745 175 HB2 MET 25 HB3 MET 25 3.731 -2.523 -1.803 176 HB3 MET 25 HB2 MET 25 2.302 -2.576 -0.778 177 HG2 MET 25 HG3 MET 25 2.714 -4.387 -3.170 178 HG3 MET 25 HG2 MET 25 3.122 -4.843 -1.515 179 HE1 MET 25 HE1 MET 25 0.176 -5.203 0.445 180 HE2 MET 25 HE2 MET 25 0.373 -3.473 0.198 181 HE3 MET 25 HE3 MET 25 1.791 -4.504 0.320 182 H GLY 26 H GLY 26 3.964 -0.428 -3.142 183 HA2 GLY 26 HA3 GLY 26 3.482 1.677 -1.292 184 HA3 GLY 26 HA2 GLY 26 4.581 1.774 -2.669 185 H HIS 27 H HIS 27 2.283 1.076 -4.498 186 HA HIS 27 HA HIS 27 1.341 3.845 -4.843 187 HB2 HIS 27 HB3 HIS 27 2.176 2.478 -6.771 188 HB3 HIS 27 HB2 HIS 27 0.795 1.400 -6.551 189 HD2 HIS 27 HD2 HIS 27 -1.760 2.617 -7.161 190 HE1 HIS 27 HE1 HIS 27 -0.098 6.001 -9.059 191 HE2 HIS 27 HE2 HIS 27 -2.237 4.708 -8.641 192 H TYR 28 H TYR 28 0.240 0.966 -3.403 193 HA TYR 28 HA TYR 28 -2.553 2.029 -3.433 194 HB2 TYR 28 HB3 TYR 28 -1.502 -0.767 -3.691 195 HB3 TYR 28 HB2 TYR 28 -3.096 -0.491 -2.984 196 HD1 TYR 28 HD2 TYR 28 -1.034 -0.113 -6.029 197 HD2 TYR 28 HD1 TYR 28 -4.937 0.380 -4.303 198 HE1 TYR 28 HE2 TYR 28 -1.993 0.230 -8.289 199 HE2 TYR 28 HE1 TYR 28 -5.894 0.722 -6.564 200 HH TYR 28 HH TYR 28 -4.369 -0.098 -9.349 201 H CYS 29 H CYS 29 -0.263 0.002 -1.602 202 HA CYS 29 HA CYS 29 -1.695 0.874 0.855 203 HB2 CYS 29 HB3 CYS 29 0.298 -1.354 0.830 204 HB3 CYS 29 HB2 CYS 29 -1.120 -1.134 1.853 205 H LYS 30 H LYS 30 -0.693 2.567 1.804 206 HA LYS 30 HA LYS 30 2.215 2.929 1.475 207 HB2 LYS 30 HB3 LYS 30 0.591 4.682 3.266 208 HB3 LYS 30 HB2 LYS 30 1.879 5.123 2.148 209 HG2 LYS 30 HG3 LYS 30 -0.959 4.341 1.424 210 HG3 LYS 30 HG2 LYS 30 -0.242 5.941 1.274 211 HD2 LYS 30 HD3 LYS 30 1.110 3.672 -0.132 212 HD3 LYS 30 HD2 LYS 30 -0.388 4.289 -0.811 213 HE2 LYS 30 HE3 LYS 30 2.095 5.905 -0.191 214 HE3 LYS 30 HE2 LYS 30 1.485 5.488 -1.792 215 HZ1 LYS 30 HZ1 LYS 30 0.551 7.519 -1.571 216 HZ2 LYS 30 HZ2 LYS 30 0.489 7.447 0.126 217 HZ3 LYS 30 HZ3 LYS 30 -0.666 6.621 -0.805 218 H LYS 31 H LYS 31 -0.112 2.568 4.162 219 HA LYS 31 HA LYS 31 1.863 2.364 6.223 220 HB2 LYS 31 HB3 LYS 31 -1.003 1.469 5.962 221 HB3 LYS 31 HB2 LYS 31 -0.072 1.163 7.430 222 HG2 LYS 31 HG3 LYS 31 0.135 3.425 7.938 223 HG3 LYS 31 HG2 LYS 31 -0.087 3.926 6.264 224 HD2 LYS 31 HD3 LYS 31 -2.188 4.440 6.933 225 HD3 LYS 31 HD2 LYS 31 -2.485 2.714 6.774 226 HE2 LYS 31 HE3 LYS 31 -1.695 4.189 9.305 227 HE3 LYS 31 HE2 LYS 31 -3.259 3.443 8.963 228 HZ1 LYS 31 HZ1 LYS 31 -2.219 1.292 8.885 229 HZ2 LYS 31 HZ2 LYS 31 -1.815 2.043 10.355 230 HZ3 LYS 31 HZ3 LYS 31 -0.679 1.974 9.092 231 H ALA 32 H ALA 32 0.051 -0.105 4.421 232 HA ALA 32 HA ALA 32 1.203 -2.381 5.641 233 HB1 ALA 32 HB1 ALA 32 -0.003 -3.542 4.107 234 HB2 ALA 32 HB2 ALA 32 0.646 -2.626 2.749 235 HB3 ALA 32 HB3 ALA 32 -0.683 -1.970 3.708 236 H CYS 33 H CYS 33 2.546 -0.126 3.364 237 HA CYS 33 HA CYS 33 4.845 -1.974 2.918 238 HB2 CYS 33 HB3 CYS 33 3.430 -0.184 1.192 239 HB3 CYS 33 HB2 CYS 33 5.077 0.409 1.371 240 H GLY 34 H GLY 34 6.895 -0.308 2.503 241 HA2 GLY 34 HA3 GLY 34 7.380 0.778 5.167 242 HA3 GLY 34 HA2 GLY 34 8.531 0.749 3.832 243 H LEU 35 H LEU 35 5.285 2.157 3.489 244 HA LEU 35 HA LEU 35 6.630 4.768 2.975 245 HB2 LEU 35 HB3 LEU 35 3.752 3.986 2.486 246 HB3 LEU 35 HB2 LEU 35 4.580 5.408 1.854 247 HG LEU 35 HG LEU 35 4.984 2.513 1.111 248 HD11 LEU 35 HD11 LEU 35 4.350 5.060 -0.389 249 HD12 LEU 35 HD12 LEU 35 3.331 3.638 -0.205 250 HD13 LEU 35 HD13 LEU 35 4.785 3.553 -1.195 251 HD21 LEU 35 HD21 LEU 35 6.866 4.852 0.741 252 HD22 LEU 35 HD22 LEU 35 6.894 3.454 -0.334 253 HD23 LEU 35 HD23 LEU 35 7.228 3.249 1.385 254 H CYS 36 H CYS 36 4.470 3.150 5.175 255 HA CYS 36 HA CYS 36 4.670 5.356 7.064 256 HB2 CYS 36 HB3 CYS 36 2.489 5.356 5.218 257 HB3 CYS 36 HB2 CYS 36 1.844 4.974 6.814 Start of MODEL 10 1 HA VAL 1 HA VAL 1 -1.293 11.908 4.146 2 HB VAL 1 HB VAL 1 -2.898 10.652 5.517 3 HG11 VAL 1 HG11 VAL 1 -3.438 12.754 6.143 4 HG12 VAL 1 HG12 VAL 1 -4.833 12.607 5.074 5 HG13 VAL 1 HG13 VAL 1 -3.344 13.346 4.485 6 HG21 VAL 1 HG21 VAL 1 -5.293 10.538 4.600 7 HG22 VAL 1 HG22 VAL 1 -4.136 9.409 3.896 8 HG23 VAL 1 HG23 VAL 1 -4.588 10.869 3.017 9 H CYS 2 H CYS 2 -1.496 9.327 5.018 10 HA CYS 2 HA CYS 2 -0.905 7.697 2.574 11 HB2 CYS 2 HB3 CYS 2 0.848 6.564 3.834 12 HB3 CYS 2 HB2 CYS 2 1.135 8.303 3.914 13 H GLU 3 H GLU 3 -2.207 5.921 2.419 14 HA GLU 3 HA GLU 3 -3.000 4.415 4.777 15 HB2 GLU 3 HB3 GLU 3 -5.329 4.856 4.790 16 HB3 GLU 3 HB2 GLU 3 -4.580 6.447 4.665 17 HG2 GLU 3 HG3 GLU 3 -4.866 6.343 2.186 18 HG3 GLU 3 HG2 GLU 3 -5.729 4.816 2.381 19 H ASP 4 H ASP 4 -4.229 2.455 4.171 20 HA ASP 4 HA ASP 4 -3.247 1.296 1.759 21 HB2 ASP 4 HB3 ASP 4 -4.724 -0.588 2.266 22 HB3 ASP 4 HB2 ASP 4 -3.913 -0.041 3.732 23 H LEU 5 H LEU 5 -4.175 1.025 -0.257 24 HA LEU 5 HA LEU 5 -6.622 2.649 -0.767 25 HB2 LEU 5 HB3 LEU 5 -4.531 1.533 -2.667 26 HB3 LEU 5 HB2 LEU 5 -5.915 2.513 -3.154 27 HG LEU 5 HG LEU 5 -3.699 3.383 -1.271 28 HD11 LEU 5 HD11 LEU 5 -4.024 5.047 -3.568 29 HD12 LEU 5 HD12 LEU 5 -3.912 3.378 -4.122 30 HD13 LEU 5 HD13 LEU 5 -2.628 4.066 -3.128 31 HD21 LEU 5 HD21 LEU 5 -5.000 5.646 -1.885 32 HD22 LEU 5 HD22 LEU 5 -5.462 4.652 -0.502 33 HD23 LEU 5 HD23 LEU 5 -6.351 4.520 -2.018 34 H ASN 6 H ASN 6 -5.299 -0.594 -0.965 35 HA ASN 6 HA ASN 6 -7.859 -1.547 -2.157 36 HB2 ASN 6 HB3 ASN 6 -5.569 -2.205 -3.144 37 HB3 ASN 6 HB2 ASN 6 -5.390 -3.226 -1.715 38 HD21 ASN 6 HD21 ASN 6 -7.521 -2.647 -4.535 39 HD22 ASN 6 HD22 ASN 6 -8.188 -4.209 -4.551 40 H ALA 7 H ALA 7 -9.162 -2.985 -1.006 41 HA ALA 7 HA ALA 7 -8.940 -2.994 1.862 42 HB1 ALA 7 HB1 ALA 7 -10.604 -4.628 -0.069 43 HB2 ALA 7 HB2 ALA 7 -11.127 -3.262 0.918 44 HB3 ALA 7 HB3 ALA 7 -10.733 -4.805 1.681 45 H HIS 8 H HIS 8 -7.655 -5.042 -0.632 46 HA HIS 8 HA HIS 8 -7.050 -7.226 1.256 47 HB2 HIS 8 HB3 HIS 8 -6.383 -6.852 -1.679 48 HB3 HIS 8 HB2 HIS 8 -6.014 -8.299 -0.745 49 HD2 HIS 8 HD2 HIS 8 -9.199 -7.806 0.785 50 HE1 HIS 8 HE1 HIS 8 -10.372 -9.250 -3.006 51 HE2 HIS 8 HE2 HIS 8 -11.140 -8.828 -0.624 52 H CYS 9 H CYS 9 -5.782 -4.303 1.006 53 HA CYS 9 HA CYS 9 -3.051 -4.521 0.422 54 HB2 CYS 9 HB3 CYS 9 -4.687 -2.806 2.215 55 HB3 CYS 9 HB2 CYS 9 -2.944 -2.809 2.496 56 H GLU 10 H GLU 10 -4.646 -5.198 3.571 57 HA GLU 10 HA GLU 10 -2.239 -5.939 4.932 58 HB2 GLU 10 HB3 GLU 10 -4.484 -5.495 6.018 59 HB3 GLU 10 HB2 GLU 10 -5.001 -7.076 5.437 60 HG2 GLU 10 HG3 GLU 10 -3.093 -8.120 6.647 61 HG3 GLU 10 HG2 GLU 10 -2.663 -6.534 7.287 62 H MET 11 H MET 11 -4.600 -7.824 3.072 63 HA MET 11 HA MET 11 -3.457 -10.389 3.526 64 HB2 MET 11 HB3 MET 11 -4.986 -9.304 1.145 65 HB3 MET 11 HB2 MET 11 -4.635 -11.014 1.406 66 HG2 MET 11 HG3 MET 11 -5.793 -10.839 3.636 67 HG3 MET 11 HG2 MET 11 -6.271 -9.199 3.202 68 HE1 MET 11 HE1 MET 11 -6.071 -12.716 2.474 69 HE2 MET 11 HE2 MET 11 -6.441 -12.695 0.751 70 HE3 MET 11 HE3 MET 11 -7.667 -13.216 1.903 71 H TRP 12 H TRP 12 -2.740 -7.895 1.124 72 HA TRP 12 HA TRP 12 -0.833 -9.516 -0.333 73 HB2 TRP 12 HB3 TRP 12 -1.216 -6.515 -0.222 74 HB3 TRP 12 HB2 TRP 12 -0.234 -7.364 -1.410 75 HD1 TRP 12 HD1 TRP 12 -2.642 -9.796 -1.289 76 HE1 TRP 12 HE1 TRP 12 -4.632 -9.419 -2.873 77 HE3 TRP 12 HE3 TRP 12 -2.110 -4.796 -2.196 78 HZ2 TRP 12 HZ2 TRP 12 -5.845 -7.283 -4.332 79 HZ3 TRP 12 HZ3 TRP 12 -3.703 -3.617 -3.687 80 HH2 TRP 12 HH2 TRP 12 -5.567 -4.856 -4.754 81 H GLN 13 H GLN 13 -0.504 -6.959 2.118 82 HA GLN 13 HA GLN 13 2.368 -7.034 2.130 83 HB2 GLN 13 HB3 GLN 13 2.227 -5.474 3.833 84 HB3 GLN 13 HB2 GLN 13 0.648 -5.279 3.074 85 HG2 GLN 13 HG3 GLN 13 0.057 -5.485 5.321 86 HG3 GLN 13 HG2 GLN 13 -0.091 -7.144 4.764 87 HE21 GLN 13 HE21 GLN 13 0.536 -8.244 6.693 88 HE22 GLN 13 HE22 GLN 13 2.065 -8.061 7.411 89 H GLN 14 H GLN 14 -0.117 -8.771 3.964 90 HA GLN 14 HA GLN 14 1.752 -9.948 5.818 91 HB2 GLN 14 HB3 GLN 14 -0.050 -11.151 6.642 92 HB3 GLN 14 HB2 GLN 14 -0.894 -9.813 5.864 93 HG2 GLN 14 HG3 GLN 14 -0.990 -11.285 3.776 94 HG3 GLN 14 HG2 GLN 14 -0.499 -12.617 4.820 95 HE21 GLN 14 HE21 GLN 14 -2.615 -9.910 5.814 96 HE22 GLN 14 HE22 GLN 14 -3.994 -10.872 6.072 97 H LEU 15 H LEU 15 0.596 -10.755 2.599 98 HA LEU 15 HA LEU 15 1.909 -13.365 2.552 99 HB2 LEU 15 HB3 LEU 15 0.739 -11.597 0.391 100 HB3 LEU 15 HB2 LEU 15 1.435 -13.184 0.067 101 HG LEU 15 HG LEU 15 -0.844 -12.667 2.001 102 HD11 LEU 15 HD11 LEU 15 -1.921 -12.367 -0.023 103 HD12 LEU 15 HD12 LEU 15 -1.970 -14.126 0.066 104 HD13 LEU 15 HD13 LEU 15 -0.737 -13.328 -0.910 105 HD21 LEU 15 HD21 LEU 15 0.095 -14.659 2.735 106 HD22 LEU 15 HD22 LEU 15 0.719 -15.071 1.137 107 HD23 LEU 15 HD23 LEU 15 -0.997 -15.266 1.490 108 H GLY 16 H GLY 16 3.015 -10.205 2.502 109 HA2 GLY 16 HA3 GLY 16 5.337 -9.613 2.380 110 HA3 GLY 16 HA2 GLY 16 5.646 -11.100 1.490 111 H HIS 17 H HIS 17 2.951 -9.250 0.358 112 HA HIS 17 HA HIS 17 4.014 -8.938 -2.248 113 HB2 HIS 17 HB3 HIS 17 1.850 -7.415 -0.794 114 HB3 HIS 17 HB2 HIS 17 2.244 -7.121 -2.488 115 HD2 HIS 17 HD2 HIS 17 2.165 -10.784 -1.026 116 HE1 HIS 17 HE1 HIS 17 -1.018 -10.376 -3.774 117 HE2 HIS 17 HE2 HIS 17 0.232 -12.007 -2.285 118 H CYS 18 H CYS 18 4.401 -6.915 0.605 119 HA CYS 18 HA CYS 18 5.446 -4.638 -0.878 120 HB2 CYS 18 HB3 CYS 18 5.324 -5.445 2.010 121 HB3 CYS 18 HB2 CYS 18 6.464 -4.190 1.532 122 H GLN 19 H GLN 19 6.772 -7.428 0.815 123 HA GLN 19 HA GLN 19 9.536 -6.728 0.366 124 HB2 GLN 19 HB3 GLN 19 8.691 -8.314 2.140 125 HB3 GLN 19 HB2 GLN 19 8.356 -9.476 0.855 126 HG2 GLN 19 HG3 GLN 19 10.699 -9.512 0.208 127 HG3 GLN 19 HG2 GLN 19 11.077 -8.245 1.377 128 HE21 GLN 19 HE21 GLN 19 12.422 -10.707 1.589 129 HE22 GLN 19 HE22 GLN 19 11.871 -11.537 2.963 130 H TYR 20 H TYR 20 7.069 -8.473 -1.405 131 HA TYR 20 HA TYR 20 9.052 -9.297 -3.455 132 HB2 TYR 20 HB3 TYR 20 6.127 -10.019 -3.140 133 HB3 TYR 20 HB2 TYR 20 7.243 -10.723 -4.315 134 HD1 TYR 20 HD2 TYR 20 9.603 -11.465 -3.105 135 HD2 TYR 20 HD1 TYR 20 5.726 -11.320 -1.265 136 HE1 TYR 20 HE2 TYR 20 10.348 -13.106 -1.403 137 HE2 TYR 20 HE1 TYR 20 6.472 -12.960 0.439 138 HH TYR 20 HH TYR 20 9.815 -13.931 0.716 139 H SER 21 H SER 21 5.935 -7.533 -3.236 140 HA SER 21 HA SER 21 6.652 -6.277 -5.859 141 HB2 SER 21 HB3 SER 21 4.707 -7.944 -5.877 142 HB3 SER 21 HB2 SER 21 3.821 -6.760 -4.920 143 HG SER 21 HG SER 21 3.409 -6.387 -7.086 144 HA PRO 22 HA PRO 22 5.956 -3.009 -2.592 145 HB2 PRO 22 HB3 PRO 22 8.335 -1.716 -2.957 146 HB3 PRO 22 HB2 PRO 22 8.130 -3.066 -1.821 147 HG2 PRO 22 HG3 PRO 22 9.318 -3.048 -4.544 148 HG3 PRO 22 HG2 PRO 22 9.812 -3.948 -3.103 149 HD2 PRO 22 HD3 PRO 22 8.378 -5.059 -5.173 150 HD3 PRO 22 HD2 PRO 22 8.317 -5.659 -3.501 151 H LYS 23 H LYS 23 7.011 -3.071 -5.902 152 HA LYS 23 HA LYS 23 6.829 -0.331 -6.582 153 HB2 LYS 23 HB3 LYS 23 6.221 -2.784 -8.250 154 HB3 LYS 23 HB2 LYS 23 6.417 -1.157 -8.901 155 HG2 LYS 23 HG3 LYS 23 8.706 -1.070 -7.919 156 HG3 LYS 23 HG2 LYS 23 8.510 -2.737 -7.374 157 HD2 LYS 23 HD3 LYS 23 8.086 -3.398 -9.762 158 HD3 LYS 23 HD2 LYS 23 8.483 -1.751 -10.241 159 HE2 LYS 23 HE3 LYS 23 10.405 -3.408 -10.381 160 HE3 LYS 23 HE2 LYS 23 10.729 -1.961 -9.430 161 HZ1 LYS 23 HZ1 LYS 23 10.592 -3.115 -7.460 162 HZ2 LYS 23 HZ2 LYS 23 11.306 -4.276 -8.474 163 HZ3 LYS 23 HZ3 LYS 23 9.647 -4.359 -8.116 164 H TYR 24 H TYR 24 4.253 -2.781 -6.264 165 HA TYR 24 HA TYR 24 2.310 -0.655 -7.058 166 HB2 TYR 24 HB3 TYR 24 1.745 -3.603 -6.656 167 HB3 TYR 24 HB2 TYR 24 0.724 -2.413 -7.463 168 HD1 TYR 24 HD2 TYR 24 4.040 -4.108 -7.661 169 HD2 TYR 24 HD1 TYR 24 0.985 -1.950 -9.773 170 HE1 TYR 24 HE2 TYR 24 5.187 -4.585 -9.807 171 HE2 TYR 24 HE1 TYR 24 2.134 -2.428 -11.918 172 HH TYR 24 HH TYR 24 3.722 -3.752 -12.900 173 H MET 25 H MET 25 3.423 -2.527 -4.313 174 HA MET 25 HA MET 25 1.019 -2.116 -2.723 175 HB2 MET 25 HB3 MET 25 3.886 -2.716 -1.950 176 HB3 MET 25 HB2 MET 25 2.577 -2.584 -0.780 177 HG2 MET 25 HG3 MET 25 2.621 -4.505 -3.128 178 HG3 MET 25 HG2 MET 25 2.984 -4.942 -1.462 179 HE1 MET 25 HE1 MET 25 1.277 -3.703 0.406 180 HE2 MET 25 HE2 MET 25 1.243 -5.460 0.343 181 HE3 MET 25 HE3 MET 25 -0.267 -4.559 0.445 182 H GLY 26 H GLY 26 4.127 -0.418 -3.049 183 HA2 GLY 26 HA3 GLY 26 3.596 1.616 -1.119 184 HA3 GLY 26 HA2 GLY 26 4.718 1.778 -2.472 185 H HIS 27 H HIS 27 2.529 1.123 -4.401 186 HA HIS 27 HA HIS 27 1.495 3.866 -4.653 187 HB2 HIS 27 HB3 HIS 27 2.446 2.585 -6.605 188 HB3 HIS 27 HB2 HIS 27 1.058 1.498 -6.493 189 HD2 HIS 27 HD2 HIS 27 -1.398 2.603 -7.390 190 HE1 HIS 27 HE1 HIS 27 0.193 6.322 -8.608 191 HE2 HIS 27 HE2 HIS 27 -1.868 4.843 -8.642 192 H TYR 28 H TYR 28 0.436 0.857 -3.422 193 HA TYR 28 HA TYR 28 -2.387 1.844 -3.479 194 HB2 TYR 28 HB3 TYR 28 -1.243 -0.902 -3.850 195 HB3 TYR 28 HB2 TYR 28 -2.853 -0.726 -3.147 196 HD1 TYR 28 HD2 TYR 28 -0.771 -0.061 -6.138 197 HD2 TYR 28 HD1 TYR 28 -4.722 0.072 -4.455 198 HE1 TYR 28 HE2 TYR 28 -1.719 0.326 -8.395 199 HE2 TYR 28 HE1 TYR 28 -5.669 0.460 -6.715 200 HH TYR 28 HH TYR 28 -3.999 1.502 -9.251 201 H CYS 29 H CYS 29 -0.109 -0.214 -1.630 202 HA CYS 29 HA CYS 29 -1.653 0.521 0.813 203 HB2 CYS 29 HB3 CYS 29 0.466 -1.612 0.668 204 HB3 CYS 29 HB2 CYS 29 -0.864 -1.454 1.811 205 H LYS 30 H LYS 30 -0.763 2.262 1.817 206 HA LYS 30 HA LYS 30 2.126 2.790 1.542 207 HB2 LYS 30 HB3 LYS 30 0.361 4.458 3.278 208 HB3 LYS 30 HB2 LYS 30 1.651 4.959 2.185 209 HG2 LYS 30 HG3 LYS 30 -1.081 3.938 1.348 210 HG3 LYS 30 HG2 LYS 30 -0.554 5.617 1.295 211 HD2 LYS 30 HD3 LYS 30 1.040 3.510 -0.147 212 HD3 LYS 30 HD2 LYS 30 -0.420 4.162 -0.881 213 HE2 LYS 30 HE3 LYS 30 1.968 5.774 0.063 214 HE3 LYS 30 HE2 LYS 30 1.533 5.448 -1.613 215 HZ1 LYS 30 HZ1 LYS 30 0.037 7.057 0.372 216 HZ2 LYS 30 HZ2 LYS 30 -0.652 6.532 -1.089 217 HZ3 LYS 30 HZ3 LYS 30 0.691 7.571 -1.106 218 H LYS 31 H LYS 31 -0.193 2.462 4.244 219 HA LYS 31 HA LYS 31 1.759 2.324 6.324 220 HB2 LYS 31 HB3 LYS 31 -1.041 1.198 6.095 221 HB3 LYS 31 HB2 LYS 31 -0.104 1.169 7.586 222 HG2 LYS 31 HG3 LYS 31 -0.198 3.469 7.856 223 HG3 LYS 31 HG2 LYS 31 -0.406 3.768 6.133 224 HD2 LYS 31 HD3 LYS 31 -2.556 4.180 6.879 225 HD3 LYS 31 HD2 LYS 31 -2.685 2.460 6.523 226 HE2 LYS 31 HE3 LYS 31 -1.825 2.241 9.033 227 HE3 LYS 31 HE2 LYS 31 -2.539 3.845 9.168 228 HZ1 LYS 31 HZ1 LYS 31 -4.253 2.103 7.736 229 HZ2 LYS 31 HZ2 LYS 31 -4.558 2.971 9.164 230 HZ3 LYS 31 HZ3 LYS 31 -3.859 1.424 9.240 231 H ALA 32 H ALA 32 0.027 -0.192 4.549 232 HA ALA 32 HA ALA 32 1.173 -2.454 5.788 233 HB1 ALA 32 HB1 ALA 32 0.021 -3.602 4.203 234 HB2 ALA 32 HB2 ALA 32 0.719 -2.672 2.879 235 HB3 ALA 32 HB3 ALA 32 -0.645 -2.028 3.794 236 H CYS 33 H CYS 33 2.520 -0.199 3.506 237 HA CYS 33 HA CYS 33 4.880 -1.986 3.140 238 HB2 CYS 33 HB3 CYS 33 3.450 -0.250 1.363 239 HB3 CYS 33 HB2 CYS 33 5.081 0.377 1.561 240 H GLY 34 H GLY 34 6.898 -0.267 2.746 241 HA2 GLY 34 HA3 GLY 34 7.289 0.843 5.412 242 HA3 GLY 34 HA2 GLY 34 8.467 0.864 4.102 243 H LEU 35 H LEU 35 5.203 2.123 3.602 244 HA LEU 35 HA LEU 35 6.453 4.794 3.188 245 HB2 LEU 35 HB3 LEU 35 3.616 3.930 2.584 246 HB3 LEU 35 HB2 LEU 35 4.439 5.364 1.981 247 HG LEU 35 HG LEU 35 4.938 2.479 1.257 248 HD11 LEU 35 HD11 LEU 35 4.806 3.534 -1.055 249 HD12 LEU 35 HD12 LEU 35 4.277 5.012 -0.251 250 HD13 LEU 35 HD13 LEU 35 3.309 3.546 -0.127 251 HD21 LEU 35 HD21 LEU 35 7.148 3.279 1.612 252 HD22 LEU 35 HD22 LEU 35 6.760 4.868 0.949 253 HD23 LEU 35 HD23 LEU 35 6.869 3.472 -0.120 254 H CYS 36 H CYS 36 4.285 3.068 5.290 255 HA CYS 36 HA CYS 36 4.254 5.334 7.145 256 HB2 CYS 36 HB3 CYS 36 2.033 4.845 5.347 257 HB3 CYS 36 HB2 CYS 36 1.532 4.641 7.022 Start of MODEL 11 1 HA VAL 1 HA VAL 1 -1.216 11.638 4.659 2 HB VAL 1 HB VAL 1 -3.056 12.888 3.398 3 HG11 VAL 1 HG11 VAL 1 -2.296 11.540 1.239 4 HG12 VAL 1 HG12 VAL 1 -3.983 11.999 1.469 5 HG13 VAL 1 HG13 VAL 1 -3.455 10.361 1.846 6 HG21 VAL 1 HG21 VAL 1 -3.518 11.331 5.272 7 HG22 VAL 1 HG22 VAL 1 -3.566 9.987 4.130 8 HG23 VAL 1 HG23 VAL 1 -4.785 11.258 4.047 9 H CYS 2 H CYS 2 -1.227 9.394 4.964 10 HA CYS 2 HA CYS 2 -0.657 7.724 2.552 11 HB2 CYS 2 HB3 CYS 2 1.114 6.596 3.659 12 HB3 CYS 2 HB2 CYS 2 1.388 8.299 4.015 13 H GLU 3 H GLU 3 -2.035 5.988 2.432 14 HA GLU 3 HA GLU 3 -2.908 4.590 4.826 15 HB2 GLU 3 HB3 GLU 3 -5.226 5.108 4.790 16 HB3 GLU 3 HB2 GLU 3 -4.405 6.666 4.676 17 HG2 GLU 3 HG3 GLU 3 -4.638 6.536 2.181 18 HG3 GLU 3 HG2 GLU 3 -5.609 5.079 2.393 19 H ASP 4 H ASP 4 -4.204 2.668 4.293 20 HA ASP 4 HA ASP 4 -3.294 1.389 1.910 21 HB2 ASP 4 HB3 ASP 4 -4.858 -0.423 2.520 22 HB3 ASP 4 HB2 ASP 4 -3.920 0.119 3.911 23 H LEU 5 H LEU 5 -4.225 1.158 -0.099 24 HA LEU 5 HA LEU 5 -6.720 2.729 -0.577 25 HB2 LEU 5 HB3 LEU 5 -4.572 1.786 -2.502 26 HB3 LEU 5 HB2 LEU 5 -5.989 2.733 -2.949 27 HG LEU 5 HG LEU 5 -3.894 3.620 -0.944 28 HD11 LEU 5 HD11 LEU 5 -2.647 4.140 -2.751 29 HD12 LEU 5 HD12 LEU 5 -3.890 5.315 -3.178 30 HD13 LEU 5 HD13 LEU 5 -3.948 3.686 -3.852 31 HD21 LEU 5 HD21 LEU 5 -6.481 4.716 -1.940 32 HD22 LEU 5 HD22 LEU 5 -5.162 5.864 -1.714 33 HD23 LEU 5 HD23 LEU 5 -5.723 4.888 -0.357 34 H ASN 6 H ASN 6 -5.279 -0.456 -0.826 35 HA ASN 6 HA ASN 6 -7.738 -1.458 -2.184 36 HB2 ASN 6 HB3 ASN 6 -5.408 -2.029 -3.080 37 HB3 ASN 6 HB2 ASN 6 -5.208 -3.026 -1.637 38 HD21 ASN 6 HD21 ASN 6 -7.387 -2.582 -4.466 39 HD22 ASN 6 HD22 ASN 6 -7.903 -4.197 -4.510 40 H ALA 7 H ALA 7 -9.095 -2.903 -1.130 41 HA ALA 7 HA ALA 7 -9.012 -3.001 1.740 42 HB1 ALA 7 HB1 ALA 7 -10.595 -5.159 0.723 43 HB2 ALA 7 HB2 ALA 7 -10.840 -3.756 -0.317 44 HB3 ALA 7 HB3 ALA 7 -11.147 -3.636 1.417 45 H HIS 8 H HIS 8 -7.592 -4.971 -0.727 46 HA HIS 8 HA HIS 8 -7.093 -7.225 1.126 47 HB2 HIS 8 HB3 HIS 8 -6.261 -6.807 -1.759 48 HB3 HIS 8 HB2 HIS 8 -6.077 -8.301 -0.851 49 HD2 HIS 8 HD2 HIS 8 -9.345 -7.447 0.412 50 HE1 HIS 8 HE1 HIS 8 -10.291 -8.899 -3.436 51 HE2 HIS 8 HE2 HIS 8 -11.235 -8.325 -1.154 52 H CYS 9 H CYS 9 -5.763 -4.300 0.937 53 HA CYS 9 HA CYS 9 -3.038 -4.544 0.410 54 HB2 CYS 9 HB3 CYS 9 -4.590 -2.919 2.398 55 HB3 CYS 9 HB2 CYS 9 -2.826 -2.897 2.454 56 H GLU 10 H GLU 10 -4.667 -5.337 3.507 57 HA GLU 10 HA GLU 10 -2.278 -6.232 4.821 58 HB2 GLU 10 HB3 GLU 10 -4.448 -5.708 5.972 59 HB3 GLU 10 HB2 GLU 10 -5.113 -7.196 5.295 60 HG2 GLU 10 HG3 GLU 10 -4.348 -7.732 7.507 61 HG3 GLU 10 HG2 GLU 10 -3.177 -8.425 6.385 62 H MET 11 H MET 11 -4.672 -7.847 2.796 63 HA MET 11 HA MET 11 -3.759 -10.521 3.175 64 HB2 MET 11 HB3 MET 11 -5.065 -9.225 0.775 65 HB3 MET 11 HB2 MET 11 -4.879 -10.963 0.991 66 HG2 MET 11 HG3 MET 11 -6.400 -9.103 2.843 67 HG3 MET 11 HG2 MET 11 -7.123 -10.234 1.702 68 HE1 MET 11 HE1 MET 11 -6.691 -12.578 1.573 69 HE2 MET 11 HE2 MET 11 -6.379 -13.668 2.923 70 HE3 MET 11 HE3 MET 11 -5.030 -12.889 2.099 71 H TRP 12 H TRP 12 -2.647 -7.911 1.098 72 HA TRP 12 HA TRP 12 -0.805 -9.686 -0.356 73 HB2 TRP 12 HB3 TRP 12 -1.071 -6.674 -0.424 74 HB3 TRP 12 HB2 TRP 12 -0.178 -7.663 -1.570 75 HD1 TRP 12 HD1 TRP 12 -2.690 -9.929 -1.403 76 HE1 TRP 12 HE1 TRP 12 -4.696 -9.456 -2.947 77 HE3 TRP 12 HE3 TRP 12 -1.959 -4.951 -2.296 78 HZ2 TRP 12 HZ2 TRP 12 -5.844 -7.253 -4.372 79 HZ3 TRP 12 HZ3 TRP 12 -3.526 -3.692 -3.746 80 HH2 TRP 12 HH2 TRP 12 -5.462 -4.839 -4.788 81 H GLN 13 H GLN 13 -0.551 -7.059 2.052 82 HA GLN 13 HA GLN 13 2.332 -7.097 2.073 83 HB2 GLN 13 HB3 GLN 13 2.195 -5.572 3.845 84 HB3 GLN 13 HB2 GLN 13 0.681 -5.293 2.984 85 HG2 GLN 13 HG3 GLN 13 -0.049 -5.499 5.199 86 HG3 GLN 13 HG2 GLN 13 -0.266 -7.134 4.580 87 HE21 GLN 13 HE21 GLN 13 0.141 -8.294 6.526 88 HE22 GLN 13 HE22 GLN 13 1.627 -8.250 7.343 89 H GLN 14 H GLN 14 -0.157 -8.836 3.861 90 HA GLN 14 HA GLN 14 1.590 -9.967 5.829 91 HB2 GLN 14 HB3 GLN 14 -0.195 -11.424 6.360 92 HB3 GLN 14 HB2 GLN 14 -0.991 -9.966 5.768 93 HG2 GLN 14 HG3 GLN 14 -0.997 -11.062 3.470 94 HG3 GLN 14 HG2 GLN 14 -0.531 -12.557 4.283 95 HE21 GLN 14 HE21 GLN 14 -2.729 -10.046 5.569 96 HE22 GLN 14 HE22 GLN 14 -4.099 -11.048 5.632 97 H LEU 15 H LEU 15 0.909 -10.739 2.495 98 HA LEU 15 HA LEU 15 2.310 -13.327 2.637 99 HB2 LEU 15 HB3 LEU 15 1.211 -11.748 0.294 100 HB3 LEU 15 HB2 LEU 15 1.868 -13.381 0.186 101 HG LEU 15 HG LEU 15 -0.530 -12.527 1.835 102 HD11 LEU 15 HD11 LEU 15 -1.048 -14.578 -0.100 103 HD12 LEU 15 HD12 LEU 15 -0.257 -13.226 -0.910 104 HD13 LEU 15 HD13 LEU 15 -1.746 -12.961 -0.005 105 HD21 LEU 15 HD21 LEU 15 -0.691 -15.172 1.879 106 HD22 LEU 15 HD22 LEU 15 0.310 -14.321 3.055 107 HD23 LEU 15 HD23 LEU 15 1.052 -15.068 1.640 108 H GLY 16 H GLY 16 3.188 -10.094 2.442 109 HA2 GLY 16 HA3 GLY 16 5.494 -9.402 2.405 110 HA3 GLY 16 HA2 GLY 16 5.896 -10.863 1.512 111 H HIS 17 H HIS 17 3.112 -9.354 0.229 112 HA HIS 17 HA HIS 17 4.224 -8.884 -2.305 113 HB2 HIS 17 HB3 HIS 17 1.919 -7.541 -0.896 114 HB3 HIS 17 HB2 HIS 17 2.366 -7.129 -2.554 115 HD2 HIS 17 HD2 HIS 17 2.442 -10.846 -1.241 116 HE1 HIS 17 HE1 HIS 17 -0.548 -10.535 -4.207 117 HE2 HIS 17 HE2 HIS 17 0.735 -12.147 -2.725 118 H CYS 18 H CYS 18 4.374 -6.867 0.570 119 HA CYS 18 HA CYS 18 5.376 -4.531 -0.857 120 HB2 CYS 18 HB3 CYS 18 4.972 -5.320 1.989 121 HB3 CYS 18 HB2 CYS 18 6.212 -4.106 1.674 122 H GLN 19 H GLN 19 6.736 -7.250 0.918 123 HA GLN 19 HA GLN 19 9.487 -6.353 0.635 124 HB2 GLN 19 HB3 GLN 19 8.599 -7.943 2.427 125 HB3 GLN 19 HB2 GLN 19 8.513 -9.172 1.164 126 HG2 GLN 19 HG3 GLN 19 10.923 -8.891 0.719 127 HG3 GLN 19 HG2 GLN 19 11.012 -7.660 1.980 128 HE21 GLN 19 HE21 GLN 19 12.657 -9.778 2.447 129 HE22 GLN 19 HE22 GLN 19 12.017 -10.812 3.631 130 H TYR 20 H TYR 20 7.247 -8.361 -1.149 131 HA TYR 20 HA TYR 20 9.377 -9.165 -3.050 132 HB2 TYR 20 HB3 TYR 20 6.479 -10.034 -2.873 133 HB3 TYR 20 HB2 TYR 20 7.726 -10.764 -3.887 134 HD1 TYR 20 HD1 TYR 20 10.049 -11.054 -2.268 135 HD2 TYR 20 HD2 TYR 20 5.939 -11.423 -1.076 136 HE1 TYR 20 HE1 TYR 20 10.727 -12.511 -0.385 137 HE2 TYR 20 HE2 TYR 20 6.618 -12.885 0.809 138 HH TYR 20 HH TYR 20 9.126 -13.071 2.176 139 H SER 21 H SER 21 6.160 -7.575 -3.069 140 HA SER 21 HA SER 21 6.983 -6.376 -5.686 141 HB2 SER 21 HB3 SER 21 5.035 -8.236 -5.516 142 HB3 SER 21 HB2 SER 21 4.082 -6.790 -5.192 143 HG SER 21 HG SER 21 4.121 -6.716 -7.317 144 HA PRO 22 HA PRO 22 5.743 -3.119 -2.584 145 HB2 PRO 22 HB3 PRO 22 8.005 -1.591 -2.885 146 HB3 PRO 22 HB2 PRO 22 7.836 -2.875 -1.677 147 HG2 PRO 22 HG3 PRO 22 9.270 -2.899 -4.267 148 HG3 PRO 22 HG2 PRO 22 9.661 -3.715 -2.747 149 HD2 PRO 22 HD3 PRO 22 8.521 -4.971 -4.930 150 HD3 PRO 22 HD2 PRO 22 8.381 -5.555 -3.258 151 H LYS 23 H LYS 23 6.786 -3.203 -5.868 152 HA LYS 23 HA LYS 23 6.472 -0.489 -6.636 153 HB2 LYS 23 HB3 LYS 23 7.448 -2.265 -8.082 154 HB3 LYS 23 HB2 LYS 23 5.833 -2.947 -8.285 155 HG2 LYS 23 HG3 LYS 23 5.062 -0.762 -9.216 156 HG3 LYS 23 HG2 LYS 23 6.718 -0.163 -9.101 157 HD2 LYS 23 HD3 LYS 23 7.447 -2.073 -10.555 158 HD3 LYS 23 HD2 LYS 23 5.749 -2.500 -10.767 159 HE2 LYS 23 HE3 LYS 23 6.963 0.183 -11.489 160 HE3 LYS 23 HE2 LYS 23 6.602 -1.101 -12.639 161 HZ1 LYS 23 HZ1 LYS 23 4.790 0.681 -11.210 162 HZ2 LYS 23 HZ2 LYS 23 4.264 -0.919 -11.448 163 HZ3 LYS 23 HZ3 LYS 23 4.678 0.050 -12.781 164 H TYR 24 H TYR 24 4.039 -3.025 -6.174 165 HA TYR 24 HA TYR 24 1.963 -1.109 -7.129 166 HB2 TYR 24 HB3 TYR 24 1.586 -4.024 -6.403 167 HB3 TYR 24 HB2 TYR 24 0.516 -2.998 -7.362 168 HD1 TYR 24 HD2 TYR 24 1.202 -2.230 -9.621 169 HD2 TYR 24 HD1 TYR 24 3.540 -5.040 -7.365 170 HE1 TYR 24 HE2 TYR 24 2.427 -2.859 -11.679 171 HE2 TYR 24 HE1 TYR 24 4.766 -5.671 -9.427 172 HH TYR 24 HH TYR 24 4.137 -4.014 -12.516 173 H MET 25 H MET 25 3.291 -2.436 -4.260 174 HA MET 25 HA MET 25 0.863 -2.112 -2.649 175 HB2 MET 25 HB3 MET 25 3.763 -2.492 -1.846 176 HB3 MET 25 HB2 MET 25 2.395 -2.520 -0.737 177 HG2 MET 25 HG3 MET 25 2.710 -4.385 -3.105 178 HG3 MET 25 HG2 MET 25 3.128 -4.808 -1.444 179 HE1 MET 25 HE1 MET 25 1.829 -4.314 0.378 180 HE2 MET 25 HE2 MET 25 0.461 -5.407 0.512 181 HE3 MET 25 HE3 MET 25 0.182 -3.676 0.383 182 H GLY 26 H GLY 26 3.949 -0.401 -3.074 183 HA2 GLY 26 HA3 GLY 26 3.409 1.706 -1.239 184 HA3 GLY 26 HA2 GLY 26 4.539 1.813 -2.591 185 H HIS 27 H HIS 27 2.321 1.096 -4.485 186 HA HIS 27 HA HIS 27 1.347 3.848 -4.856 187 HB2 HIS 27 HB3 HIS 27 2.239 2.507 -6.765 188 HB3 HIS 27 HB2 HIS 27 0.888 1.389 -6.566 189 HD2 HIS 27 HD2 HIS 27 -1.711 2.582 -7.153 190 HE1 HIS 27 HE1 HIS 27 -0.064 5.896 -9.191 191 HE2 HIS 27 HE2 HIS 27 -2.205 4.631 -8.694 192 H TYR 28 H TYR 28 0.255 0.962 -3.434 193 HA TYR 28 HA TYR 28 -2.549 1.993 -3.484 194 HB2 TYR 28 HB3 TYR 28 -1.464 -0.778 -3.808 195 HB3 TYR 28 HB2 TYR 28 -3.044 -0.556 -3.056 196 HD1 TYR 28 HD2 TYR 28 -1.064 -0.074 -6.137 197 HD2 TYR 28 HD1 TYR 28 -4.935 0.280 -4.307 198 HE1 TYR 28 HE2 TYR 28 -2.093 0.243 -8.372 199 HE2 TYR 28 HE1 TYR 28 -5.963 0.596 -6.542 200 HH TYR 28 HH TYR 28 -3.986 0.927 -9.441 201 H CYS 29 H CYS 29 -0.315 -0.119 -1.651 202 HA CYS 29 HA CYS 29 -1.772 0.713 0.811 203 HB2 CYS 29 HB3 CYS 29 0.263 -1.491 0.705 204 HB3 CYS 29 HB2 CYS 29 -1.107 -1.296 1.796 205 H LYS 30 H LYS 30 -0.787 2.421 1.791 206 HA LYS 30 HA LYS 30 2.122 2.797 1.479 207 HB2 LYS 30 HB3 LYS 30 0.453 4.536 3.248 208 HB3 LYS 30 HB2 LYS 30 1.785 4.981 2.185 209 HG2 LYS 30 HG3 LYS 30 -0.995 4.153 1.296 210 HG3 LYS 30 HG2 LYS 30 -0.356 5.794 1.276 211 HD2 LYS 30 HD3 LYS 30 1.014 3.550 -0.215 212 HD3 LYS 30 HD2 LYS 30 -0.292 4.480 -0.939 213 HE2 LYS 30 HE3 LYS 30 2.307 5.609 0.139 214 HE3 LYS 30 HE2 LYS 30 1.863 5.458 -1.557 215 HZ1 LYS 30 HZ1 LYS 30 0.700 7.233 0.493 216 HZ2 LYS 30 HZ2 LYS 30 -0.157 6.846 -0.923 217 HZ3 LYS 30 HZ3 LYS 30 1.341 7.640 -1.024 218 H LYS 31 H LYS 31 -0.176 2.590 4.209 219 HA LYS 31 HA LYS 31 1.788 2.349 6.258 220 HB2 LYS 31 HB3 LYS 31 -1.061 1.381 6.015 221 HB3 LYS 31 HB2 LYS 31 -0.125 1.202 7.499 222 HG2 LYS 31 HG3 LYS 31 -0.088 3.469 7.917 223 HG3 LYS 31 HG2 LYS 31 -0.171 3.893 6.206 224 HD2 LYS 31 HD3 LYS 31 -2.304 4.469 6.897 225 HD3 LYS 31 HD2 LYS 31 -2.578 2.806 6.385 226 HE2 LYS 31 HE3 LYS 31 -2.049 3.746 9.219 227 HE3 LYS 31 HE2 LYS 31 -3.593 3.178 8.582 228 HZ1 LYS 31 HZ1 LYS 31 -2.004 1.143 7.938 229 HZ2 LYS 31 HZ2 LYS 31 -2.876 1.226 9.394 230 HZ3 LYS 31 HZ3 LYS 31 -1.237 1.669 9.357 231 H ALA 32 H ALA 32 -0.013 -0.111 4.451 232 HA ALA 32 HA ALA 32 1.102 -2.391 5.691 233 HB1 ALA 32 HB1 ALA 32 0.029 -3.574 4.049 234 HB2 ALA 32 HB2 ALA 32 0.610 -2.523 2.759 235 HB3 ALA 32 HB3 ALA 32 -0.748 -2.020 3.768 236 H CYS 33 H CYS 33 2.507 -0.113 3.502 237 HA CYS 33 HA CYS 33 4.844 -1.921 3.086 238 HB2 CYS 33 HB3 CYS 33 3.463 -0.083 1.370 239 HB3 CYS 33 HB2 CYS 33 5.114 0.474 1.591 240 H GLY 34 H GLY 34 6.963 -0.434 2.928 241 HA2 GLY 34 HA3 GLY 34 7.340 0.635 5.575 242 HA3 GLY 34 HA2 GLY 34 8.521 0.713 4.269 243 H LEU 35 H LEU 35 5.569 1.957 3.257 244 HA LEU 35 HA LEU 35 6.652 4.656 3.201 245 HB2 LEU 35 HB3 LEU 35 3.803 3.797 2.616 246 HB3 LEU 35 HB2 LEU 35 4.614 5.262 2.060 247 HG LEU 35 HG LEU 35 5.137 2.415 1.223 248 HD11 LEU 35 HD11 LEU 35 4.852 3.405 -1.034 249 HD12 LEU 35 HD12 LEU 35 4.523 4.965 -0.283 250 HD13 LEU 35 HD13 LEU 35 3.419 3.617 -0.027 251 HD21 LEU 35 HD21 LEU 35 7.030 3.462 -0.141 252 HD22 LEU 35 HD22 LEU 35 7.331 3.273 1.586 253 HD23 LEU 35 HD23 LEU 35 6.897 4.854 0.935 254 H CYS 36 H CYS 36 4.378 2.840 5.190 255 HA CYS 36 HA CYS 36 4.466 5.027 7.175 256 HB2 CYS 36 HB3 CYS 36 2.145 4.434 5.479 257 HB3 CYS 36 HB2 CYS 36 1.778 4.421 7.201 Start of MODEL 12 1 HA VAL 1 HA VAL 1 -0.929 11.745 4.475 2 HB VAL 1 HB VAL 1 -3.083 10.456 4.903 3 HG11 VAL 1 HG11 VAL 1 -4.305 12.432 5.495 4 HG12 VAL 1 HG12 VAL 1 -3.514 13.377 4.234 5 HG13 VAL 1 HG13 VAL 1 -2.596 12.842 5.642 6 HG21 VAL 1 HG21 VAL 1 -3.610 10.268 2.427 7 HG22 VAL 1 HG22 VAL 1 -4.037 11.979 2.461 8 HG23 VAL 1 HG23 VAL 1 -4.954 10.823 3.426 9 H CYS 2 H CYS 2 -1.408 9.239 5.034 10 HA CYS 2 HA CYS 2 -0.661 7.592 2.658 11 HB2 CYS 2 HB3 CYS 2 1.113 6.537 3.829 12 HB3 CYS 2 HB2 CYS 2 1.309 8.248 4.204 13 H GLU 3 H GLU 3 -2.040 5.859 2.506 14 HA GLU 3 HA GLU 3 -2.923 4.420 4.874 15 HB2 GLU 3 HB3 GLU 3 -5.250 4.934 4.808 16 HB3 GLU 3 HB2 GLU 3 -4.417 6.490 4.764 17 HG2 GLU 3 HG3 GLU 3 -4.592 6.429 2.256 18 HG3 GLU 3 HG2 GLU 3 -5.597 4.989 2.411 19 H ASP 4 H ASP 4 -4.206 2.495 4.290 20 HA ASP 4 HA ASP 4 -3.286 1.287 1.866 21 HB2 ASP 4 HB3 ASP 4 -4.805 -0.564 2.428 22 HB3 ASP 4 HB2 ASP 4 -3.913 -0.034 3.853 23 H LEU 5 H LEU 5 -4.284 1.008 -0.129 24 HA LEU 5 HA LEU 5 -6.741 2.650 -0.560 25 HB2 LEU 5 HB3 LEU 5 -4.629 1.672 -2.509 26 HB3 LEU 5 HB2 LEU 5 -6.072 2.571 -2.974 27 HG LEU 5 HG LEU 5 -3.958 3.567 -1.038 28 HD11 LEU 5 HD11 LEU 5 -4.122 3.580 -3.944 29 HD12 LEU 5 HD12 LEU 5 -2.796 4.105 -2.901 30 HD13 LEU 5 HD13 LEU 5 -4.101 5.222 -3.298 31 HD21 LEU 5 HD21 LEU 5 -5.394 5.727 -1.930 32 HD22 LEU 5 HD22 LEU 5 -5.707 4.888 -0.413 33 HD23 LEU 5 HD23 LEU 5 -6.643 4.486 -1.852 34 H ASN 6 H ASN 6 -5.387 -0.579 -0.894 35 HA ASN 6 HA ASN 6 -7.936 -1.510 -2.131 36 HB2 ASN 6 HB3 ASN 6 -5.587 -2.113 -3.072 37 HB3 ASN 6 HB2 ASN 6 -5.501 -3.229 -1.708 38 HD21 ASN 6 HD21 ASN 6 -6.330 -5.277 -2.151 39 HD22 ASN 6 HD22 ASN 6 -7.496 -5.621 -3.336 40 H ALA 7 H ALA 7 -9.229 -3.029 -1.057 41 HA ALA 7 HA ALA 7 -9.102 -3.117 1.805 42 HB1 ALA 7 HB1 ALA 7 -11.238 -3.704 1.358 43 HB2 ALA 7 HB2 ALA 7 -10.627 -5.317 0.994 44 HB3 ALA 7 HB3 ALA 7 -10.830 -4.140 -0.302 45 H HIS 8 H HIS 8 -7.728 -5.115 -0.701 46 HA HIS 8 HA HIS 8 -7.019 -7.243 1.228 47 HB2 HIS 8 HB3 HIS 8 -6.531 -6.963 -1.751 48 HB3 HIS 8 HB2 HIS 8 -6.044 -8.358 -0.792 49 HD2 HIS 8 HD2 HIS 8 -9.159 -7.948 0.904 50 HE1 HIS 8 HE1 HIS 8 -10.473 -9.574 -2.767 51 HE2 HIS 8 HE2 HIS 8 -11.131 -9.098 -0.364 52 H CYS 9 H CYS 9 -5.886 -4.338 0.956 53 HA CYS 9 HA CYS 9 -3.177 -4.391 0.193 54 HB2 CYS 9 HB3 CYS 9 -4.851 -2.780 2.017 55 HB3 CYS 9 HB2 CYS 9 -3.130 -2.769 2.399 56 H GLU 10 H GLU 10 -4.409 -4.798 3.524 57 HA GLU 10 HA GLU 10 -1.947 -5.714 4.620 58 HB2 GLU 10 HB3 GLU 10 -4.823 -6.174 5.442 59 HB3 GLU 10 HB2 GLU 10 -3.447 -6.691 6.419 60 HG2 GLU 10 HG3 GLU 10 -2.626 -4.339 6.451 61 HG3 GLU 10 HG2 GLU 10 -4.064 -3.849 5.556 62 H MET 11 H MET 11 -4.579 -7.380 2.989 63 HA MET 11 HA MET 11 -3.796 -10.059 3.579 64 HB2 MET 11 HB3 MET 11 -5.968 -9.336 2.518 65 HB3 MET 11 HB2 MET 11 -5.076 -9.065 1.022 66 HG2 MET 11 HG3 MET 11 -5.724 -11.244 0.651 67 HG3 MET 11 HG2 MET 11 -4.227 -11.550 1.531 68 HE1 MET 11 HE1 MET 11 -8.303 -10.993 3.311 69 HE2 MET 11 HE2 MET 11 -8.365 -12.155 1.987 70 HE3 MET 11 HE3 MET 11 -7.684 -10.554 1.711 71 H TRP 12 H TRP 12 -2.629 -7.698 1.249 72 HA TRP 12 HA TRP 12 -0.985 -9.700 -0.155 73 HB2 TRP 12 HB3 TRP 12 -1.069 -6.689 -0.429 74 HB3 TRP 12 HB2 TRP 12 -0.248 -7.793 -1.518 75 HD1 TRP 12 HD1 TRP 12 -2.847 -9.929 -1.219 76 HE1 TRP 12 HE1 TRP 12 -4.865 -9.436 -2.744 77 HE3 TRP 12 HE3 TRP 12 -1.929 -5.035 -2.333 78 HZ2 TRP 12 HZ2 TRP 12 -5.947 -7.248 -4.238 79 HZ3 TRP 12 HZ3 TRP 12 -3.467 -3.767 -3.805 80 HH2 TRP 12 HH2 TRP 12 -5.475 -4.867 -4.759 81 H GLN 13 H GLN 13 -0.490 -7.031 2.149 82 HA GLN 13 HA GLN 13 2.386 -7.158 2.046 83 HB2 GLN 13 HB3 GLN 13 2.376 -5.626 3.807 84 HB3 GLN 13 HB2 GLN 13 0.824 -5.309 3.035 85 HG2 GLN 13 HG3 GLN 13 0.225 -5.480 5.293 86 HG3 GLN 13 HG2 GLN 13 -0.082 -7.109 4.706 87 HE21 GLN 13 HE21 GLN 13 0.330 -8.041 6.841 88 HE22 GLN 13 HE22 GLN 13 1.902 -8.131 7.472 89 H GLN 14 H GLN 14 -0.058 -8.812 3.982 90 HA GLN 14 HA GLN 14 1.768 -10.006 5.837 91 HB2 GLN 14 HB3 GLN 14 -0.042 -11.365 6.514 92 HB3 GLN 14 HB2 GLN 14 -0.814 -9.890 5.934 93 HG2 GLN 14 HG3 GLN 14 -0.990 -11.053 3.663 94 HG3 GLN 14 HG2 GLN 14 -0.569 -12.541 4.510 95 HE21 GLN 14 HE21 GLN 14 -2.553 -9.872 5.825 96 HE22 GLN 14 HE22 GLN 14 -3.972 -10.789 5.982 97 H LEU 15 H LEU 15 0.868 -10.738 2.541 98 HA LEU 15 HA LEU 15 2.147 -13.390 2.612 99 HB2 LEU 15 HB3 LEU 15 1.069 -11.766 0.289 100 HB3 LEU 15 HB2 LEU 15 1.616 -13.441 0.192 101 HG LEU 15 HG LEU 15 -0.667 -12.420 1.902 102 HD11 LEU 15 HD11 LEU 15 -2.037 -13.826 0.359 103 HD12 LEU 15 HD12 LEU 15 -0.595 -14.110 -0.616 104 HD13 LEU 15 HD13 LEU 15 -1.255 -12.481 -0.468 105 HD21 LEU 15 HD21 LEU 15 0.811 -15.005 1.724 106 HD22 LEU 15 HD22 LEU 15 -0.940 -15.090 1.909 107 HD23 LEU 15 HD23 LEU 15 0.034 -14.251 3.115 108 H GLY 16 H GLY 16 3.164 -10.209 2.423 109 HA2 GLY 16 HA3 GLY 16 5.495 -9.608 2.324 110 HA3 GLY 16 HA2 GLY 16 5.809 -11.084 1.419 111 H HIS 17 H HIS 17 3.066 -9.402 0.241 112 HA HIS 17 HA HIS 17 4.163 -8.989 -2.331 113 HB2 HIS 17 HB3 HIS 17 1.877 -7.611 -0.909 114 HB3 HIS 17 HB2 HIS 17 2.296 -7.259 -2.587 115 HD2 HIS 17 HD2 HIS 17 2.389 -10.939 -1.175 116 HE1 HIS 17 HE1 HIS 17 -0.686 -10.700 -4.056 117 HE2 HIS 17 HE2 HIS 17 0.605 -12.269 -2.536 118 H CYS 18 H CYS 18 4.273 -6.904 0.521 119 HA CYS 18 HA CYS 18 5.359 -4.632 -0.953 120 HB2 CYS 18 HB3 CYS 18 4.868 -5.319 1.911 121 HB3 CYS 18 HB2 CYS 18 6.099 -4.103 1.572 122 H GLN 19 H GLN 19 6.613 -7.275 1.021 123 HA GLN 19 HA GLN 19 9.377 -6.463 0.868 124 HB2 GLN 19 HB3 GLN 19 8.398 -8.059 2.570 125 HB3 GLN 19 HB2 GLN 19 8.281 -9.258 1.284 126 HG2 GLN 19 HG3 GLN 19 10.717 -9.080 0.901 127 HG3 GLN 19 HG2 GLN 19 10.830 -7.900 2.208 128 HE21 GLN 19 HE21 GLN 19 12.311 -10.249 2.486 129 HE22 GLN 19 HE22 GLN 19 11.610 -11.241 3.671 130 H TYR 20 H TYR 20 7.218 -8.384 -1.111 131 HA TYR 20 HA TYR 20 9.452 -9.126 -2.922 132 HB2 TYR 20 HB3 TYR 20 6.564 -10.038 -2.833 133 HB3 TYR 20 HB2 TYR 20 7.784 -10.649 -3.949 134 HD1 TYR 20 HD2 TYR 20 10.128 -11.218 -2.603 135 HD2 TYR 20 HD1 TYR 20 6.145 -11.411 -1.005 136 HE1 TYR 20 HE2 TYR 20 10.899 -12.825 -0.881 137 HE2 TYR 20 HE1 TYR 20 6.917 -13.019 0.717 138 HH TYR 20 HH TYR 20 10.113 -13.518 1.466 139 H SER 21 H SER 21 6.199 -7.622 -3.085 140 HA SER 21 HA SER 21 7.109 -6.315 -5.620 141 HB2 SER 21 HB3 SER 21 5.298 -8.196 -5.736 142 HB3 SER 21 HB2 SER 21 4.221 -6.961 -5.094 143 HG SER 21 HG SER 21 5.909 -6.371 -7.263 144 HA PRO 22 HA PRO 22 5.656 -3.099 -2.581 145 HB2 PRO 22 HB3 PRO 22 7.923 -1.565 -2.671 146 HB3 PRO 22 HB2 PRO 22 7.668 -2.877 -1.507 147 HG2 PRO 22 HG3 PRO 22 9.322 -2.816 -3.955 148 HG3 PRO 22 HG2 PRO 22 9.563 -3.706 -2.445 149 HD2 PRO 22 HD3 PRO 22 8.597 -4.813 -4.814 150 HD3 PRO 22 HD2 PRO 22 8.394 -5.522 -3.199 151 H LYS 23 H LYS 23 6.965 -3.126 -5.776 152 HA LYS 23 HA LYS 23 6.743 -0.409 -6.531 153 HB2 LYS 23 HB3 LYS 23 6.264 -2.910 -8.173 154 HB3 LYS 23 HB2 LYS 23 6.457 -1.293 -8.848 155 HG2 LYS 23 HG3 LYS 23 8.689 -1.144 -7.721 156 HG3 LYS 23 HG2 LYS 23 8.499 -2.821 -7.214 157 HD2 LYS 23 HD3 LYS 23 8.264 -3.485 -9.606 158 HD3 LYS 23 HD2 LYS 23 8.562 -1.810 -10.072 159 HE2 LYS 23 HE3 LYS 23 10.458 -3.658 -8.598 160 HE3 LYS 23 HE2 LYS 23 10.664 -2.997 -10.221 161 HZ1 LYS 23 HZ1 LYS 23 10.923 -1.664 -7.621 162 HZ2 LYS 23 HZ2 LYS 23 10.396 -0.747 -8.951 163 HZ3 LYS 23 HZ3 LYS 23 11.900 -1.536 -9.001 164 H TYR 24 H TYR 24 4.221 -2.894 -6.252 165 HA TYR 24 HA TYR 24 2.248 -0.889 -7.249 166 HB2 TYR 24 HB3 TYR 24 1.782 -3.822 -6.659 167 HB3 TYR 24 HB2 TYR 24 0.733 -2.735 -7.569 168 HD1 TYR 24 HD2 TYR 24 3.865 -4.666 -7.621 169 HD2 TYR 24 HD1 TYR 24 1.302 -2.032 -9.844 170 HE1 TYR 24 HE2 TYR 24 5.098 -5.221 -9.700 171 HE2 TYR 24 HE1 TYR 24 2.536 -2.584 -11.923 172 HH TYR 24 HH TYR 24 5.078 -3.468 -12.369 173 H MET 25 H MET 25 3.390 -2.398 -4.365 174 HA MET 25 HA MET 25 0.920 -2.054 -2.847 175 HB2 MET 25 HB3 MET 25 3.781 -2.485 -1.955 176 HB3 MET 25 HB2 MET 25 2.394 -2.462 -0.877 177 HG2 MET 25 HG3 MET 25 2.753 -4.369 -3.206 178 HG3 MET 25 HG2 MET 25 3.032 -4.777 -1.513 179 HE1 MET 25 HE1 MET 25 1.257 -5.391 0.176 180 HE2 MET 25 HE2 MET 25 -0.349 -4.669 0.169 181 HE3 MET 25 HE3 MET 25 1.070 -3.635 0.218 182 H GLY 26 H GLY 26 3.977 -0.274 -3.204 183 HA2 GLY 26 HA3 GLY 26 3.426 1.757 -1.287 184 HA3 GLY 26 HA2 GLY 26 4.527 1.935 -2.651 185 H HIS 27 H HIS 27 2.299 1.258 -4.544 186 HA HIS 27 HA HIS 27 1.249 3.998 -4.764 187 HB2 HIS 27 HB3 HIS 27 2.125 2.766 -6.760 188 HB3 HIS 27 HB2 HIS 27 0.791 1.623 -6.590 189 HD2 HIS 27 HD2 HIS 27 -1.771 2.664 -7.288 190 HE1 HIS 27 HE1 HIS 27 -0.356 6.387 -8.691 191 HE2 HIS 27 HE2 HIS 27 -2.383 4.870 -8.540 192 H TYR 28 H TYR 28 0.256 1.038 -3.437 193 HA TYR 28 HA TYR 28 -2.586 1.977 -3.433 194 HB2 TYR 28 HB3 TYR 28 -1.410 -0.762 -3.787 195 HB3 TYR 28 HB2 TYR 28 -3.007 -0.586 -3.054 196 HD1 TYR 28 HD2 TYR 28 -0.994 0.009 -6.106 197 HD2 TYR 28 HD1 TYR 28 -4.904 0.195 -4.333 198 HE1 TYR 28 HE2 TYR 28 -1.995 0.349 -8.348 199 HE2 TYR 28 HE1 TYR 28 -5.902 0.538 -6.578 200 HH TYR 28 HH TYR 28 -4.898 1.556 -8.900 201 H CYS 29 H CYS 29 -0.310 -0.146 -1.666 202 HA CYS 29 HA CYS 29 -1.727 0.607 0.840 203 HB2 CYS 29 HB3 CYS 29 0.396 -1.509 0.603 204 HB3 CYS 29 HB2 CYS 29 -0.923 -1.390 1.768 205 H LYS 30 H LYS 30 -0.791 2.338 1.850 206 HA LYS 30 HA LYS 30 2.092 2.855 1.486 207 HB2 LYS 30 HB3 LYS 30 0.356 4.472 3.319 208 HB3 LYS 30 HB2 LYS 30 1.669 5.006 2.269 209 HG2 LYS 30 HG3 LYS 30 -1.085 4.103 1.376 210 HG3 LYS 30 HG2 LYS 30 -0.483 5.755 1.358 211 HD2 LYS 30 HD3 LYS 30 0.941 3.562 -0.149 212 HD3 LYS 30 HD2 LYS 30 -0.418 4.423 -0.863 213 HE2 LYS 30 HE3 LYS 30 2.184 5.622 0.119 214 HE3 LYS 30 HE2 LYS 30 1.608 5.544 -1.545 215 HZ1 LYS 30 HZ1 LYS 30 1.049 7.672 -0.906 216 HZ2 LYS 30 HZ2 LYS 30 0.630 7.215 0.674 217 HZ3 LYS 30 HZ3 LYS 30 -0.398 6.834 -0.625 218 H LYS 31 H LYS 31 -0.151 2.458 4.222 219 HA LYS 31 HA LYS 31 1.838 2.238 6.260 220 HB2 LYS 31 HB3 LYS 31 -0.992 1.195 6.037 221 HB3 LYS 31 HB2 LYS 31 -0.034 1.076 7.512 222 HG2 LYS 31 HG3 LYS 31 -0.140 3.331 7.928 223 HG3 LYS 31 HG2 LYS 31 -0.173 3.749 6.213 224 HD2 LYS 31 HD3 LYS 31 -2.349 4.260 6.951 225 HD3 LYS 31 HD2 LYS 31 -2.535 2.669 6.217 226 HE2 LYS 31 HE3 LYS 31 -2.088 3.161 9.174 227 HE3 LYS 31 HE2 LYS 31 -3.656 2.835 8.437 228 HZ1 LYS 31 HZ1 LYS 31 -3.161 0.706 8.785 229 HZ2 LYS 31 HZ2 LYS 31 -1.520 1.026 9.064 230 HZ3 LYS 31 HZ3 LYS 31 -2.094 0.846 7.475 231 H ALA 32 H ALA 32 0.011 -0.222 4.476 232 HA ALA 32 HA ALA 32 1.185 -2.502 5.657 233 HB1 ALA 32 HB1 ALA 32 0.638 -2.723 2.765 234 HB2 ALA 32 HB2 ALA 32 -0.696 -2.063 3.712 235 HB3 ALA 32 HB3 ALA 32 -0.034 -3.641 4.112 236 H CYS 33 H CYS 33 2.472 -0.194 3.415 237 HA CYS 33 HA CYS 33 4.814 -1.976 2.920 238 HB2 CYS 33 HB3 CYS 33 3.363 -0.146 1.246 239 HB3 CYS 33 HB2 CYS 33 5.017 0.423 1.424 240 H GLY 34 H GLY 34 6.884 -0.475 2.661 241 HA2 GLY 34 HA3 GLY 34 7.376 0.620 5.277 242 HA3 GLY 34 HA2 GLY 34 8.493 0.674 3.916 243 H LEU 35 H LEU 35 5.266 1.963 3.452 244 HA LEU 35 HA LEU 35 6.517 4.643 3.191 245 HB2 LEU 35 HB3 LEU 35 3.668 3.830 2.577 246 HB3 LEU 35 HB2 LEU 35 4.490 5.291 2.044 247 HG LEU 35 HG LEU 35 4.974 2.451 1.163 248 HD11 LEU 35 HD11 LEU 35 4.787 3.573 -1.084 249 HD12 LEU 35 HD12 LEU 35 4.349 5.055 -0.238 250 HD13 LEU 35 HD13 LEU 35 3.315 3.635 -0.118 251 HD21 LEU 35 HD21 LEU 35 7.187 3.236 1.540 252 HD22 LEU 35 HD22 LEU 35 6.795 4.855 0.958 253 HD23 LEU 35 HD23 LEU 35 6.893 3.506 -0.175 254 H CYS 36 H CYS 36 4.428 2.790 5.246 255 HA CYS 36 HA CYS 36 4.422 4.997 7.192 256 HB2 CYS 36 HB3 CYS 36 2.111 4.432 5.503 257 HB3 CYS 36 HB2 CYS 36 1.735 4.261 7.216 Start of MODEL 13 1 HA VAL 1 HA VAL 1 -1.168 11.612 4.895 2 HB VAL 1 HB VAL 1 -1.996 10.393 6.788 3 HG11 VAL 1 HG11 VAL 1 -3.088 12.161 7.694 4 HG12 VAL 1 HG12 VAL 1 -4.408 12.043 6.531 5 HG13 VAL 1 HG13 VAL 1 -2.932 12.908 6.103 6 HG21 VAL 1 HG21 VAL 1 -3.451 8.746 6.086 7 HG22 VAL 1 HG22 VAL 1 -4.246 9.801 4.916 8 HG23 VAL 1 HG23 VAL 1 -4.639 9.930 6.631 9 H CYS 2 H CYS 2 -1.103 8.918 5.761 10 HA CYS 2 HA CYS 2 -0.901 7.533 3.122 11 HB2 CYS 2 HB3 CYS 2 0.369 6.024 5.150 12 HB3 CYS 2 HB2 CYS 2 1.144 6.933 3.854 13 H GLU 3 H GLU 3 -2.173 5.740 2.766 14 HA GLU 3 HA GLU 3 -3.169 4.129 4.983 15 HB2 GLU 3 HB3 GLU 3 -5.471 4.634 4.854 16 HB3 GLU 3 HB2 GLU 3 -4.692 6.214 4.822 17 HG2 GLU 3 HG3 GLU 3 -4.793 6.155 2.317 18 HG3 GLU 3 HG2 GLU 3 -5.721 4.659 2.431 19 H ASP 4 H ASP 4 -4.368 2.234 4.201 20 HA ASP 4 HA ASP 4 -3.274 1.245 1.734 21 HB2 ASP 4 HB3 ASP 4 -4.699 -0.733 2.157 22 HB3 ASP 4 HB2 ASP 4 -3.772 -0.271 3.582 23 H LEU 5 H LEU 5 -4.035 1.535 -0.287 24 HA LEU 5 HA LEU 5 -6.571 2.912 -0.719 25 HB2 LEU 5 HB3 LEU 5 -4.583 1.681 -2.655 26 HB3 LEU 5 HB2 LEU 5 -5.996 2.616 -3.147 27 HG LEU 5 HG LEU 5 -3.723 3.622 -1.402 28 HD11 LEU 5 HD11 LEU 5 -4.003 3.423 -4.233 29 HD12 LEU 5 HD12 LEU 5 -2.723 4.232 -3.326 30 HD13 LEU 5 HD13 LEU 5 -4.167 5.125 -3.803 31 HD21 LEU 5 HD21 LEU 5 -5.462 4.938 -0.660 32 HD22 LEU 5 HD22 LEU 5 -6.415 4.678 -2.122 33 HD23 LEU 5 HD23 LEU 5 -5.079 5.829 -2.133 34 H ASN 6 H ASN 6 -5.343 -0.391 -1.072 35 HA ASN 6 HA ASN 6 -8.059 -1.269 -1.932 36 HB2 ASN 6 HB3 ASN 6 -5.862 -1.933 -3.170 37 HB3 ASN 6 HB2 ASN 6 -5.632 -3.049 -1.824 38 HD21 ASN 6 HD21 ASN 6 -6.296 -5.085 -2.547 39 HD22 ASN 6 HD22 ASN 6 -7.737 -5.389 -3.391 40 H ALA 7 H ALA 7 -9.234 -2.717 -0.656 41 HA ALA 7 HA ALA 7 -8.621 -2.798 2.163 42 HB1 ALA 7 HB1 ALA 7 -10.593 -4.561 0.684 43 HB2 ALA 7 HB2 ALA 7 -10.939 -2.891 1.138 44 HB3 ALA 7 HB3 ALA 7 -10.634 -4.099 2.385 45 H HIS 8 H HIS 8 -7.602 -4.721 -0.485 46 HA HIS 8 HA HIS 8 -7.097 -7.101 1.196 47 HB2 HIS 8 HB3 HIS 8 -6.452 -6.548 -1.714 48 HB3 HIS 8 HB2 HIS 8 -6.205 -8.089 -0.896 49 HD2 HIS 8 HD2 HIS 8 -9.362 -7.332 0.664 50 HE1 HIS 8 HE1 HIS 8 -10.601 -8.589 -3.172 51 HE2 HIS 8 HE2 HIS 8 -11.368 -8.138 -0.796 52 H CYS 9 H CYS 9 -5.601 -4.201 0.872 53 HA CYS 9 HA CYS 9 -2.913 -4.655 0.281 54 HB2 CYS 9 HB3 CYS 9 -4.283 -2.883 2.279 55 HB3 CYS 9 HB2 CYS 9 -2.522 -2.962 2.249 56 H GLU 10 H GLU 10 -4.538 -5.215 3.416 57 HA GLU 10 HA GLU 10 -2.218 -6.193 4.763 58 HB2 GLU 10 HB3 GLU 10 -4.386 -5.548 5.870 59 HB3 GLU 10 HB2 GLU 10 -5.083 -7.046 5.248 60 HG2 GLU 10 HG3 GLU 10 -3.305 -8.331 6.421 61 HG3 GLU 10 HG2 GLU 10 -2.691 -6.823 7.096 62 H MET 11 H MET 11 -4.682 -7.782 2.786 63 HA MET 11 HA MET 11 -3.843 -10.472 3.214 64 HB2 MET 11 HB3 MET 11 -5.138 -9.178 0.797 65 HB3 MET 11 HB2 MET 11 -4.973 -10.918 1.026 66 HG2 MET 11 HG3 MET 11 -6.248 -10.730 3.155 67 HG3 MET 11 HG2 MET 11 -6.479 -9.010 2.838 68 HE1 MET 11 HE1 MET 11 -9.460 -11.079 2.878 69 HE2 MET 11 HE2 MET 11 -9.828 -9.494 2.201 70 HE3 MET 11 HE3 MET 11 -8.610 -9.644 3.463 71 H TRP 12 H TRP 12 -2.657 -7.942 1.074 72 HA TRP 12 HA TRP 12 -0.846 -9.795 -0.321 73 HB2 TRP 12 HB3 TRP 12 -1.013 -6.778 -0.477 74 HB3 TRP 12 HB2 TRP 12 -0.195 -7.834 -1.612 75 HD1 TRP 12 HD1 TRP 12 -2.749 -10.005 -1.390 76 HE1 TRP 12 HE1 TRP 12 -4.797 -9.476 -2.863 77 HE3 TRP 12 HE3 TRP 12 -1.931 -5.045 -2.287 78 HZ2 TRP 12 HZ2 TRP 12 -5.938 -7.244 -4.240 79 HZ3 TRP 12 HZ3 TRP 12 -3.513 -3.743 -3.679 80 HH2 TRP 12 HH2 TRP 12 -5.513 -4.834 -4.656 81 H GLN 13 H GLN 13 -0.540 -7.059 1.969 82 HA GLN 13 HA GLN 13 2.323 -7.132 2.071 83 HB2 GLN 13 HB3 GLN 13 2.151 -5.574 3.801 84 HB3 GLN 13 HB2 GLN 13 0.633 -5.331 2.938 85 HG2 GLN 13 HG3 GLN 13 -0.112 -5.512 5.142 86 HG3 GLN 13 HG2 GLN 13 -0.270 -7.174 4.580 87 HE21 GLN 13 HE21 GLN 13 0.208 -8.301 6.528 88 HE22 GLN 13 HE22 GLN 13 1.681 -8.151 7.358 89 H GLN 14 H GLN 14 -0.186 -8.847 3.865 90 HA GLN 14 HA GLN 14 1.573 -9.958 5.843 91 HB2 GLN 14 HB3 GLN 14 -0.248 -11.311 6.479 92 HB3 GLN 14 HB2 GLN 14 -1.023 -9.883 5.794 93 HG2 GLN 14 HG3 GLN 14 -1.065 -11.138 3.575 94 HG3 GLN 14 HG2 GLN 14 -0.639 -12.581 4.495 95 HE21 GLN 14 HE21 GLN 14 -2.727 -9.968 5.731 96 HE22 GLN 14 HE22 GLN 14 -4.138 -10.906 5.811 97 H LEU 15 H LEU 15 0.858 -10.722 2.532 98 HA LEU 15 HA LEU 15 2.196 -13.346 2.664 99 HB2 LEU 15 HB3 LEU 15 1.089 -11.751 0.337 100 HB3 LEU 15 HB2 LEU 15 1.748 -13.383 0.210 101 HG LEU 15 HG LEU 15 -0.605 -12.570 1.937 102 HD11 LEU 15 HD11 LEU 15 -0.404 -14.018 -0.712 103 HD12 LEU 15 HD12 LEU 15 -1.268 -12.518 -0.375 104 HD13 LEU 15 HD13 LEU 15 -1.852 -14.044 0.294 105 HD21 LEU 15 HD21 LEU 15 1.014 -15.052 1.623 106 HD22 LEU 15 HD22 LEU 15 -0.732 -15.250 1.774 107 HD23 LEU 15 HD23 LEU 15 0.177 -14.433 3.046 108 H GLY 16 H GLY 16 3.134 -10.146 2.511 109 HA2 GLY 16 HA3 GLY 16 5.428 -9.444 2.431 110 HA3 GLY 16 HA2 GLY 16 5.831 -10.941 1.594 111 H HIS 17 H HIS 17 3.063 -9.431 0.275 112 HA HIS 17 HA HIS 17 4.186 -9.072 -2.282 113 HB2 HIS 17 HB3 HIS 17 1.862 -7.693 -0.929 114 HB3 HIS 17 HB2 HIS 17 2.290 -7.380 -2.612 115 HD2 HIS 17 HD2 HIS 17 2.486 -11.020 -1.132 116 HE1 HIS 17 HE1 HIS 17 -0.619 -10.922 -3.993 117 HE2 HIS 17 HE2 HIS 17 0.738 -12.428 -2.465 118 H CYS 18 H CYS 18 4.269 -6.969 0.526 119 HA CYS 18 HA CYS 18 5.288 -4.662 -0.931 120 HB2 CYS 18 HB3 CYS 18 4.841 -5.411 1.921 121 HB3 CYS 18 HB2 CYS 18 6.081 -4.197 1.609 122 H GLN 19 H GLN 19 6.641 -7.312 0.982 123 HA GLN 19 HA GLN 19 9.382 -6.420 0.738 124 HB2 GLN 19 HB3 GLN 19 8.488 -8.009 2.506 125 HB3 GLN 19 HB2 GLN 19 8.408 -9.243 1.248 126 HG2 GLN 19 HG3 GLN 19 10.846 -8.849 0.792 127 HG3 GLN 19 HG2 GLN 19 10.887 -7.767 2.184 128 HE21 GLN 19 HE21 GLN 19 8.649 -9.994 3.084 129 HE22 GLN 19 HE22 GLN 19 9.646 -11.135 3.850 130 H TYR 20 H TYR 20 7.235 -8.494 -1.116 131 HA TYR 20 HA TYR 20 9.443 -9.237 -2.945 132 HB2 TYR 20 HB3 TYR 20 6.546 -10.117 -2.842 133 HB3 TYR 20 HB2 TYR 20 7.756 -10.748 -3.960 134 HD1 TYR 20 HD2 TYR 20 10.034 -11.507 -2.764 135 HD2 TYR 20 HD1 TYR 20 6.192 -11.299 -0.862 136 HE1 TYR 20 HE2 TYR 20 10.809 -13.102 -1.031 137 HE2 TYR 20 HE1 TYR 20 6.963 -12.895 0.873 138 HH TYR 20 HH TYR 20 8.811 -13.870 1.774 139 H SER 21 H SER 21 6.197 -7.700 -3.150 140 HA SER 21 HA SER 21 7.167 -6.413 -5.675 141 HB2 SER 21 HB3 SER 21 5.298 -8.293 -5.744 142 HB3 SER 21 HB2 SER 21 4.254 -6.958 -5.272 143 HG SER 21 HG SER 21 4.281 -6.639 -7.370 144 HA PRO 22 HA PRO 22 5.703 -3.197 -2.623 145 HB2 PRO 22 HB3 PRO 22 7.963 -1.649 -2.746 146 HB3 PRO 22 HB2 PRO 22 7.738 -2.965 -1.579 147 HG2 PRO 22 HG3 PRO 22 9.317 -2.909 -4.086 148 HG3 PRO 22 HG2 PRO 22 9.640 -3.746 -2.559 149 HD2 PRO 22 HD3 PRO 22 8.646 -4.984 -4.823 150 HD3 PRO 22 HD2 PRO 22 8.421 -5.598 -3.171 151 H LYS 23 H LYS 23 6.935 -3.257 -5.839 152 HA LYS 23 HA LYS 23 6.723 -0.543 -6.617 153 HB2 LYS 23 HB3 LYS 23 6.172 -3.055 -8.222 154 HB3 LYS 23 HB2 LYS 23 6.385 -1.446 -8.914 155 HG2 LYS 23 HG3 LYS 23 8.647 -1.332 -7.884 156 HG3 LYS 23 HG2 LYS 23 8.434 -2.978 -7.289 157 HD2 LYS 23 HD3 LYS 23 8.092 -3.737 -9.650 158 HD3 LYS 23 HD2 LYS 23 8.459 -2.098 -10.189 159 HE2 LYS 23 HE3 LYS 23 10.588 -2.560 -8.567 160 HE3 LYS 23 HE2 LYS 23 10.275 -4.194 -9.149 161 HZ1 LYS 23 HZ1 LYS 23 11.627 -2.238 -10.487 162 HZ2 LYS 23 HZ2 LYS 23 10.101 -2.245 -11.232 163 HZ3 LYS 23 HZ3 LYS 23 11.022 -3.671 -11.161 164 H TYR 24 H TYR 24 4.204 -3.014 -6.258 165 HA TYR 24 HA TYR 24 2.207 -1.040 -7.263 166 HB2 TYR 24 HB3 TYR 24 1.815 -3.973 -6.598 167 HB3 TYR 24 HB2 TYR 24 0.691 -2.923 -7.464 168 HD1 TYR 24 HD2 TYR 24 3.899 -4.729 -7.647 169 HD2 TYR 24 HD1 TYR 24 1.106 -2.254 -9.768 170 HE1 TYR 24 HE2 TYR 24 5.049 -5.261 -9.778 171 HE2 TYR 24 HE1 TYR 24 2.257 -2.783 -11.901 172 HH TYR 24 HH TYR 24 5.312 -4.319 -12.005 173 H MET 25 H MET 25 3.368 -2.481 -4.339 174 HA MET 25 HA MET 25 0.898 -2.028 -2.832 175 HB2 MET 25 HB3 MET 25 3.736 -2.582 -1.918 176 HB3 MET 25 HB2 MET 25 2.333 -2.520 -0.860 177 HG2 MET 25 HG3 MET 25 2.528 -4.379 -3.242 178 HG3 MET 25 HG2 MET 25 2.986 -4.853 -1.608 179 HE1 MET 25 HE1 MET 25 0.865 -3.571 0.365 180 HE2 MET 25 HE2 MET 25 1.665 -5.136 0.265 181 HE3 MET 25 HE3 MET 25 -0.084 -5.059 0.428 182 H GLY 26 H GLY 26 4.029 -0.398 -3.233 183 HA2 GLY 26 HA3 GLY 26 3.593 1.672 -1.331 184 HA3 GLY 26 HA2 GLY 26 4.687 1.789 -2.711 185 H HIS 27 H HIS 27 2.398 1.179 -4.563 186 HA HIS 27 HA HIS 27 1.454 3.962 -4.797 187 HB2 HIS 27 HB3 HIS 27 2.310 2.684 -6.785 188 HB3 HIS 27 HB2 HIS 27 0.929 1.599 -6.625 189 HD2 HIS 27 HD2 HIS 27 -1.512 2.648 -7.570 190 HE1 HIS 27 HE1 HIS 27 -0.028 6.446 -8.667 191 HE2 HIS 27 HE2 HIS 27 -2.038 4.901 -8.774 192 H TYR 28 H TYR 28 0.377 1.033 -3.468 193 HA TYR 28 HA TYR 28 -2.440 2.034 -3.490 194 HB2 TYR 28 HB3 TYR 28 -1.320 -0.722 -3.831 195 HB3 TYR 28 HB2 TYR 28 -2.900 -0.524 -3.072 196 HD1 TYR 28 HD2 TYR 28 -0.928 0.111 -6.144 197 HD2 TYR 28 HD1 TYR 28 -4.820 0.181 -4.331 198 HE1 TYR 28 HE2 TYR 28 -1.962 0.453 -8.372 199 HE2 TYR 28 HE1 TYR 28 -5.854 0.520 -6.561 200 HH TYR 28 HH TYR 28 -4.664 1.647 -8.978 201 H CYS 29 H CYS 29 -0.137 0.000 -1.674 202 HA CYS 29 HA CYS 29 -1.629 0.728 0.797 203 HB2 CYS 29 HB3 CYS 29 0.496 -1.382 0.667 204 HB3 CYS 29 HB2 CYS 29 -0.911 -1.284 1.724 205 H LYS 30 H LYS 30 -0.729 2.455 1.807 206 HA LYS 30 HA LYS 30 2.159 2.965 1.520 207 HB2 LYS 30 HB3 LYS 30 0.442 4.615 3.320 208 HB3 LYS 30 HB2 LYS 30 1.707 5.127 2.206 209 HG2 LYS 30 HG3 LYS 30 -1.082 4.203 1.464 210 HG3 LYS 30 HG2 LYS 30 -0.455 5.843 1.338 211 HD2 LYS 30 HD3 LYS 30 0.886 3.564 -0.120 212 HD3 LYS 30 HD2 LYS 30 -0.502 4.392 -0.813 213 HE2 LYS 30 HE3 LYS 30 2.102 5.683 0.044 214 HE3 LYS 30 HE2 LYS 30 1.555 5.433 -1.614 215 HZ1 LYS 30 HZ1 LYS 30 1.009 7.591 0.046 216 HZ2 LYS 30 HZ2 LYS 30 -0.455 6.748 -0.141 217 HZ3 LYS 30 HZ3 LYS 30 0.392 7.299 -1.507 218 H LYS 31 H LYS 31 -0.166 2.555 4.201 219 HA LYS 31 HA LYS 31 1.809 2.324 6.264 220 HB2 LYS 31 HB3 LYS 31 -1.054 1.376 6.031 221 HB3 LYS 31 HB2 LYS 31 -0.105 1.186 7.504 222 HG2 LYS 31 HG3 LYS 31 0.020 3.487 7.884 223 HG3 LYS 31 HG2 LYS 31 -0.273 3.885 6.193 224 HD2 LYS 31 HD3 LYS 31 -2.367 4.346 6.950 225 HD3 LYS 31 HD2 LYS 31 -2.593 2.608 6.791 226 HE2 LYS 31 HE3 LYS 31 -1.968 2.302 9.155 227 HE3 LYS 31 HE2 LYS 31 -1.718 4.042 9.317 228 HZ1 LYS 31 HZ1 LYS 31 -3.869 3.707 10.082 229 HZ2 LYS 31 HZ2 LYS 31 -4.242 2.576 8.869 230 HZ3 LYS 31 HZ3 LYS 31 -4.107 4.226 8.484 231 H ALA 32 H ALA 32 -0.056 -0.135 4.480 232 HA ALA 32 HA ALA 32 1.065 -2.432 5.676 233 HB1 ALA 32 HB1 ALA 32 0.584 -2.576 2.756 234 HB2 ALA 32 HB2 ALA 32 -0.777 -2.012 3.729 235 HB3 ALA 32 HB3 ALA 32 -0.055 -3.585 4.050 236 H CYS 33 H CYS 33 2.426 -0.178 3.401 237 HA CYS 33 HA CYS 33 4.762 -1.987 3.001 238 HB2 CYS 33 HB3 CYS 33 3.341 -0.207 1.259 239 HB3 CYS 33 HB2 CYS 33 4.986 0.383 1.441 240 H GLY 34 H GLY 34 6.794 -0.290 2.607 241 HA2 GLY 34 HA3 GLY 34 7.196 0.822 5.277 242 HA3 GLY 34 HA2 GLY 34 8.393 0.777 3.985 243 H LEU 35 H LEU 35 5.175 2.174 3.467 244 HA LEU 35 HA LEU 35 6.550 4.765 2.982 245 HB2 LEU 35 HB3 LEU 35 3.660 4.057 2.462 246 HB3 LEU 35 HB2 LEU 35 4.552 5.426 1.806 247 HG LEU 35 HG LEU 35 4.883 2.499 1.157 248 HD11 LEU 35 HD11 LEU 35 4.232 5.011 -0.383 249 HD12 LEU 35 HD12 LEU 35 3.286 3.528 -0.255 250 HD13 LEU 35 HD13 LEU 35 4.778 3.543 -1.193 251 HD21 LEU 35 HD21 LEU 35 6.804 4.793 0.750 252 HD22 LEU 35 HD22 LEU 35 6.820 3.377 -0.301 253 HD23 LEU 35 HD23 LEU 35 7.133 3.197 1.426 254 H CYS 36 H CYS 36 4.357 3.214 5.192 255 HA CYS 36 HA CYS 36 4.554 5.461 7.032 256 HB2 CYS 36 HB3 CYS 36 2.431 5.478 5.142 257 HB3 CYS 36 HB2 CYS 36 1.726 5.093 6.713 Start of MODEL 14 1 HA VAL 1 HA VAL 1 -1.714 11.611 4.620 2 HB VAL 1 HB VAL 1 -3.982 12.438 3.946 3 HG11 VAL 1 HG11 VAL 1 -3.458 11.022 1.614 4 HG12 VAL 1 HG12 VAL 1 -5.020 11.694 2.080 5 HG13 VAL 1 HG13 VAL 1 -4.641 10.011 2.447 6 HG21 VAL 1 HG21 VAL 1 -4.616 9.622 4.334 7 HG22 VAL 1 HG22 VAL 1 -4.844 10.978 5.437 8 HG23 VAL 1 HG23 VAL 1 -3.295 10.135 5.384 9 H CYS 2 H CYS 2 -1.706 9.294 5.004 10 HA CYS 2 HA CYS 2 -1.051 7.675 2.578 11 HB2 CYS 2 HB3 CYS 2 0.829 6.719 3.622 12 HB3 CYS 2 HB2 CYS 2 0.939 8.417 4.082 13 H GLU 3 H GLU 3 -2.317 5.877 2.452 14 HA GLU 3 HA GLU 3 -3.027 4.358 4.821 15 HB2 GLU 3 HB3 GLU 3 -5.380 4.703 4.850 16 HB3 GLU 3 HB2 GLU 3 -4.669 6.314 4.800 17 HG2 GLU 3 HG3 GLU 3 -4.947 6.281 2.299 18 HG3 GLU 3 HG2 GLU 3 -5.830 4.763 2.471 19 H ASP 4 H ASP 4 -4.264 2.394 4.250 20 HA ASP 4 HA ASP 4 -3.318 1.220 1.820 21 HB2 ASP 4 HB3 ASP 4 -4.881 -0.644 2.390 22 HB3 ASP 4 HB2 ASP 4 -3.851 -0.174 3.742 23 H LEU 5 H LEU 5 -4.121 1.354 -0.203 24 HA LEU 5 HA LEU 5 -6.629 2.806 -0.678 25 HB2 LEU 5 HB3 LEU 5 -4.578 1.569 -2.535 26 HB3 LEU 5 HB2 LEU 5 -6.010 2.422 -3.104 27 HG LEU 5 HG LEU 5 -3.847 3.591 -1.323 28 HD11 LEU 5 HD11 LEU 5 -4.061 3.296 -4.183 29 HD12 LEU 5 HD12 LEU 5 -2.765 4.038 -3.245 30 HD13 LEU 5 HD13 LEU 5 -4.143 5.007 -3.761 31 HD21 LEU 5 HD21 LEU 5 -5.273 5.692 -2.298 32 HD22 LEU 5 HD22 LEU 5 -5.596 4.942 -0.738 33 HD23 LEU 5 HD23 LEU 5 -6.551 4.488 -2.149 34 H ASN 6 H ASN 6 -5.400 -0.500 -1.016 35 HA ASN 6 HA ASN 6 -8.109 -1.372 -1.894 36 HB2 ASN 6 HB3 ASN 6 -5.339 -2.463 -2.196 37 HB3 ASN 6 HB2 ASN 6 -6.694 -3.597 -2.208 38 HD21 ASN 6 HD21 ASN 6 -4.965 -2.836 -4.518 39 HD22 ASN 6 HD22 ASN 6 -6.002 -2.164 -5.682 40 H ALA 7 H ALA 7 -9.285 -2.841 -0.659 41 HA ALA 7 HA ALA 7 -8.770 -2.937 2.164 42 HB1 ALA 7 HB1 ALA 7 -11.010 -3.197 0.901 43 HB2 ALA 7 HB2 ALA 7 -10.752 -4.234 2.304 44 HB3 ALA 7 HB3 ALA 7 -10.539 -4.882 0.676 45 H HIS 8 H HIS 8 -7.848 -4.983 -0.507 46 HA HIS 8 HA HIS 8 -7.055 -7.223 1.224 47 HB2 HIS 8 HB3 HIS 8 -6.639 -6.668 -1.726 48 HB3 HIS 8 HB2 HIS 8 -6.137 -8.156 -0.920 49 HD2 HIS 8 HD2 HIS 8 -9.229 -7.771 0.882 50 HE1 HIS 8 HE1 HIS 8 -10.632 -9.192 -2.838 51 HE2 HIS 8 HE2 HIS 8 -11.245 -8.806 -0.407 52 H CYS 9 H CYS 9 -5.865 -4.295 1.072 53 HA CYS 9 HA CYS 9 -3.174 -4.382 0.278 54 HB2 CYS 9 HB3 CYS 9 -4.790 -2.834 2.197 55 HB3 CYS 9 HB2 CYS 9 -3.063 -2.869 2.554 56 H GLU 10 H GLU 10 -4.400 -4.920 3.579 57 HA GLU 10 HA GLU 10 -1.969 -5.921 4.640 58 HB2 GLU 10 HB3 GLU 10 -4.856 -6.369 5.404 59 HB3 GLU 10 HB2 GLU 10 -3.508 -6.968 6.369 60 HG2 GLU 10 HG3 GLU 10 -3.967 -4.063 5.614 61 HG3 GLU 10 HG2 GLU 10 -4.330 -4.771 7.189 62 H MET 11 H MET 11 -4.634 -7.522 2.960 63 HA MET 11 HA MET 11 -3.855 -10.214 3.456 64 HB2 MET 11 HB3 MET 11 -5.188 -9.002 1.012 65 HB3 MET 11 HB2 MET 11 -5.094 -10.730 1.352 66 HG2 MET 11 HG3 MET 11 -6.305 -10.337 3.501 67 HG3 MET 11 HG2 MET 11 -6.473 -8.639 3.062 68 HE1 MET 11 HE1 MET 11 -8.889 -10.335 3.837 69 HE2 MET 11 HE2 MET 11 -10.074 -9.923 2.597 70 HE3 MET 11 HE3 MET 11 -9.033 -8.667 3.264 71 H TRP 12 H TRP 12 -2.675 -7.783 1.220 72 HA TRP 12 HA TRP 12 -0.993 -9.705 -0.238 73 HB2 TRP 12 HB3 TRP 12 -1.059 -6.682 -0.375 74 HB3 TRP 12 HB2 TRP 12 -0.301 -7.766 -1.537 75 HD1 TRP 12 HD1 TRP 12 -3.003 -9.810 -1.106 76 HE1 TRP 12 HE1 TRP 12 -5.030 -9.239 -2.591 77 HE3 TRP 12 HE3 TRP 12 -1.857 -4.987 -2.347 78 HZ2 TRP 12 HZ2 TRP 12 -6.032 -7.025 -4.102 79 HZ3 TRP 12 HZ3 TRP 12 -3.367 -3.674 -3.805 80 HH2 TRP 12 HH2 TRP 12 -5.451 -4.686 -4.682 81 H GLN 13 H GLN 13 -0.507 -7.049 2.092 82 HA GLN 13 HA GLN 13 2.362 -7.193 2.021 83 HB2 GLN 13 HB3 GLN 13 2.333 -5.656 3.782 84 HB3 GLN 13 HB2 GLN 13 0.785 -5.350 2.993 85 HG2 GLN 13 HG3 GLN 13 0.145 -5.535 5.234 86 HG3 GLN 13 HG2 GLN 13 -0.113 -7.176 4.650 87 HE21 GLN 13 HE21 GLN 13 0.290 -8.050 6.836 88 HE22 GLN 13 HE22 GLN 13 1.865 -8.109 7.465 89 H GLN 14 H GLN 14 -0.107 -8.874 3.884 90 HA GLN 14 HA GLN 14 1.667 -10.052 5.803 91 HB2 GLN 14 HB3 GLN 14 -0.150 -11.444 6.397 92 HB3 GLN 14 HB2 GLN 14 -0.913 -9.963 5.818 93 HG2 GLN 14 HG3 GLN 14 -0.995 -11.088 3.523 94 HG3 GLN 14 HG2 GLN 14 -0.611 -12.589 4.364 95 HE21 GLN 14 HE21 GLN 14 -2.506 -10.173 6.062 96 HE22 GLN 14 HE22 GLN 14 -3.990 -10.991 5.968 97 H LEU 15 H LEU 15 0.762 -10.853 2.514 98 HA LEU 15 HA LEU 15 2.129 -13.451 2.570 99 HB2 LEU 15 HB3 LEU 15 1.025 -11.817 0.263 100 HB3 LEU 15 HB2 LEU 15 1.612 -13.476 0.141 101 HG LEU 15 HG LEU 15 -0.721 -12.519 1.828 102 HD11 LEU 15 HD11 LEU 15 -0.467 -13.955 -0.802 103 HD12 LEU 15 HD12 LEU 15 -1.571 -12.656 -0.347 104 HD13 LEU 15 HD13 LEU 15 -1.846 -14.293 0.244 105 HD21 LEU 15 HD21 LEU 15 0.167 -14.300 3.059 106 HD22 LEU 15 HD22 LEU 15 0.743 -15.134 1.617 107 HD23 LEU 15 HD23 LEU 15 -0.977 -15.121 2.001 108 H GLY 16 H GLY 16 3.082 -10.247 2.422 109 HA2 GLY 16 HA3 GLY 16 5.396 -9.596 2.353 110 HA3 GLY 16 HA2 GLY 16 5.759 -11.062 1.449 111 H HIS 17 H HIS 17 3.013 -9.432 0.218 112 HA HIS 17 HA HIS 17 4.083 -8.999 -2.336 113 HB2 HIS 17 HB3 HIS 17 1.851 -7.603 -0.863 114 HB3 HIS 17 HB2 HIS 17 2.260 -7.193 -2.531 115 HD2 HIS 17 HD2 HIS 17 2.287 -10.907 -1.196 116 HE1 HIS 17 HE1 HIS 17 -0.716 -10.564 -4.146 117 HE2 HIS 17 HE2 HIS 17 0.524 -12.181 -2.636 118 H CYS 18 H CYS 18 4.311 -6.926 0.513 119 HA CYS 18 HA CYS 18 5.401 -4.673 -0.977 120 HB2 CYS 18 HB3 CYS 18 5.002 -5.378 1.902 121 HB3 CYS 18 HB2 CYS 18 6.212 -4.149 1.519 122 H GLN 19 H GLN 19 6.662 -7.357 0.920 123 HA GLN 19 HA GLN 19 9.434 -6.583 0.680 124 HB2 GLN 19 HB3 GLN 19 8.470 -8.155 2.419 125 HB3 GLN 19 HB2 GLN 19 8.305 -9.356 1.136 126 HG2 GLN 19 HG3 GLN 19 10.739 -9.186 0.689 127 HG3 GLN 19 HG2 GLN 19 10.889 -8.048 2.029 128 HE21 GLN 19 HE21 GLN 19 8.532 -9.965 3.184 129 HE22 GLN 19 HE22 GLN 19 9.447 -11.182 3.931 130 H TYR 20 H TYR 20 7.189 -8.515 -1.203 131 HA TYR 20 HA TYR 20 9.357 -9.324 -3.050 132 HB2 TYR 20 HB3 TYR 20 6.427 -10.088 -2.918 133 HB3 TYR 20 HB2 TYR 20 7.570 -10.718 -4.102 134 HD1 TYR 20 HD1 TYR 20 9.857 -11.637 -2.995 135 HD2 TYR 20 HD2 TYR 20 6.063 -11.354 -0.998 136 HE1 TYR 20 HE1 TYR 20 10.585 -13.359 -1.362 137 HE2 TYR 20 HE2 TYR 20 6.793 -13.073 0.633 138 HH TYR 20 HH TYR 20 8.913 -13.970 1.530 139 H SER 21 H SER 21 6.198 -7.610 -3.168 140 HA SER 21 HA SER 21 7.218 -6.294 -5.651 141 HB2 SER 21 HB3 SER 21 5.365 -8.145 -5.874 142 HB3 SER 21 HB2 SER 21 4.291 -6.865 -5.317 143 HG SER 21 HG SER 21 6.136 -6.225 -7.301 144 HA PRO 22 HA PRO 22 5.730 -3.127 -2.569 145 HB2 PRO 22 HB3 PRO 22 8.021 -1.627 -2.564 146 HB3 PRO 22 HB2 PRO 22 7.727 -2.970 -1.445 147 HG2 PRO 22 HG3 PRO 22 9.408 -2.877 -3.882 148 HG3 PRO 22 HG2 PRO 22 9.647 -3.772 -2.376 149 HD2 PRO 22 HD3 PRO 22 8.709 -4.903 -4.723 150 HD3 PRO 22 HD2 PRO 22 8.426 -5.574 -3.101 151 H LYS 23 H LYS 23 7.036 -3.165 -5.737 152 HA LYS 23 HA LYS 23 6.892 -0.429 -6.459 153 HB2 LYS 23 HB3 LYS 23 6.387 -2.897 -8.143 154 HB3 LYS 23 HB2 LYS 23 6.619 -1.272 -8.786 155 HG2 LYS 23 HG3 LYS 23 8.843 -1.181 -7.666 156 HG3 LYS 23 HG2 LYS 23 8.613 -2.849 -7.142 157 HD2 LYS 23 HD3 LYS 23 8.363 -3.532 -9.525 158 HD3 LYS 23 HD2 LYS 23 8.709 -1.872 -10.010 159 HE2 LYS 23 HE3 LYS 23 10.560 -3.697 -8.443 160 HE3 LYS 23 HE2 LYS 23 10.754 -3.224 -10.130 161 HZ1 LYS 23 HZ1 LYS 23 11.747 -1.366 -9.492 162 HZ2 LYS 23 HZ2 LYS 23 11.663 -1.884 -7.876 163 HZ3 LYS 23 HZ3 LYS 23 10.422 -0.926 -8.530 164 H TYR 24 H TYR 24 4.312 -2.868 -6.219 165 HA TYR 24 HA TYR 24 2.399 -0.814 -7.243 166 HB2 TYR 24 HB3 TYR 24 1.863 -3.743 -6.679 167 HB3 TYR 24 HB2 TYR 24 0.854 -2.631 -7.604 168 HD1 TYR 24 HD1 TYR 24 1.501 -1.905 -9.859 169 HD2 TYR 24 HD2 TYR 24 3.921 -4.661 -7.620 170 HE1 TYR 24 HE1 TYR 24 2.747 -2.494 -11.924 171 HE2 TYR 24 HE2 TYR 24 5.163 -5.249 -9.683 172 HH TYR 24 HH TYR 24 4.362 -3.733 -12.809 173 H MET 25 H MET 25 3.431 -2.423 -4.365 174 HA MET 25 HA MET 25 0.965 -2.029 -2.865 175 HB2 MET 25 HB3 MET 25 3.812 -2.498 -1.936 176 HB3 MET 25 HB2 MET 25 2.401 -2.505 -0.888 177 HG2 MET 25 HG3 MET 25 2.747 -4.339 -3.277 178 HG3 MET 25 HG2 MET 25 3.105 -4.804 -1.614 179 HE1 MET 25 HE1 MET 25 1.578 -4.084 0.223 180 HE2 MET 25 HE2 MET 25 0.940 -5.721 0.119 181 HE3 MET 25 HE3 MET 25 -0.169 -4.356 0.229 182 H GLY 26 H GLY 26 4.044 -0.286 -3.200 183 HA2 GLY 26 HA3 GLY 26 3.509 1.750 -1.276 184 HA3 GLY 26 HA2 GLY 26 4.601 1.927 -2.652 185 H HIS 27 H HIS 27 2.403 1.216 -4.525 186 HA HIS 27 HA HIS 27 1.307 3.931 -4.790 187 HB2 HIS 27 HB3 HIS 27 2.223 2.674 -6.751 188 HB3 HIS 27 HB2 HIS 27 0.905 1.512 -6.570 189 HD2 HIS 27 HD2 HIS 27 -1.592 2.401 -7.502 190 HE1 HIS 27 HE1 HIS 27 -0.351 6.265 -8.658 191 HE2 HIS 27 HE2 HIS 27 -2.256 4.592 -8.748 192 H TYR 28 H TYR 28 0.351 0.967 -3.432 193 HA TYR 28 HA TYR 28 -2.504 1.852 -3.459 194 HB2 TYR 28 HB3 TYR 28 -1.268 -0.850 -3.803 195 HB3 TYR 28 HB2 TYR 28 -2.841 -0.728 -3.017 196 HD1 TYR 28 HD2 TYR 28 -0.962 -0.028 -6.130 197 HD2 TYR 28 HD1 TYR 28 -4.819 -0.093 -4.240 198 HE1 TYR 28 HE2 TYR 28 -2.048 0.240 -8.340 199 HE2 TYR 28 HE1 TYR 28 -5.905 0.173 -6.456 200 HH TYR 28 HH TYR 28 -5.586 0.207 -8.666 201 H CYS 29 H CYS 29 -0.145 -0.128 -1.643 202 HA CYS 29 HA CYS 29 -1.642 0.607 0.825 203 HB2 CYS 29 HB3 CYS 29 0.466 -1.535 0.589 204 HB3 CYS 29 HB2 CYS 29 -0.788 -1.363 1.815 205 H LYS 30 H LYS 30 -0.739 2.358 1.801 206 HA LYS 30 HA LYS 30 2.149 2.876 1.519 207 HB2 LYS 30 HB3 LYS 30 0.424 4.521 3.314 208 HB3 LYS 30 HB2 LYS 30 1.678 5.040 2.189 209 HG2 LYS 30 HG3 LYS 30 -1.088 4.049 1.438 210 HG3 LYS 30 HG2 LYS 30 -0.532 5.719 1.359 211 HD2 LYS 30 HD3 LYS 30 0.941 3.555 -0.130 212 HD3 LYS 30 HD2 LYS 30 -0.500 4.291 -0.820 213 HE2 LYS 30 HE3 LYS 30 2.023 5.728 0.033 214 HE3 LYS 30 HE2 LYS 30 1.454 5.492 -1.618 215 HZ1 LYS 30 HZ1 LYS 30 0.126 7.079 0.505 216 HZ2 LYS 30 HZ2 LYS 30 -0.557 6.752 -1.016 217 HZ3 LYS 30 HZ3 LYS 30 0.864 7.676 -0.898 218 H LYS 31 H LYS 31 -0.174 2.444 4.186 219 HA LYS 31 HA LYS 31 1.778 2.259 6.268 220 HB2 LYS 31 HB3 LYS 31 -1.030 1.163 6.000 221 HB3 LYS 31 HB2 LYS 31 -0.108 1.119 7.503 222 HG2 LYS 31 HG3 LYS 31 -0.141 3.436 7.750 223 HG3 LYS 31 HG2 LYS 31 -0.389 3.715 6.028 224 HD2 LYS 31 HD3 LYS 31 -2.509 4.163 6.848 225 HD3 LYS 31 HD2 LYS 31 -2.668 2.451 6.469 226 HE2 LYS 31 HE3 LYS 31 -1.667 2.323 9.005 227 HE3 LYS 31 HE2 LYS 31 -2.620 3.804 9.095 228 HZ1 LYS 31 HZ1 LYS 31 -4.555 2.702 8.681 229 HZ2 LYS 31 HZ2 LYS 31 -3.709 1.475 9.493 230 HZ3 LYS 31 HZ3 LYS 31 -3.807 1.463 7.796 231 H ALA 32 H ALA 32 -0.014 -0.243 4.493 232 HA ALA 32 HA ALA 32 1.178 -2.498 5.695 233 HB1 ALA 32 HB1 ALA 32 0.628 -2.710 2.795 234 HB2 ALA 32 HB2 ALA 32 -0.721 -2.163 3.792 235 HB3 ALA 32 HB3 ALA 32 0.054 -3.704 4.126 236 H CYS 33 H CYS 33 2.484 -0.244 3.408 237 HA CYS 33 HA CYS 33 4.817 -2.045 2.936 238 HB2 CYS 33 HB3 CYS 33 3.359 -0.255 1.254 239 HB3 CYS 33 HB2 CYS 33 4.989 0.378 1.434 240 H GLY 34 H GLY 34 6.841 -0.308 2.552 241 HA2 GLY 34 HA3 GLY 34 7.289 0.713 5.249 242 HA3 GLY 34 HA2 GLY 34 8.448 0.751 3.923 243 H LEU 35 H LEU 35 5.180 2.102 3.596 244 HA LEU 35 HA LEU 35 6.488 4.742 3.174 245 HB2 LEU 35 HB3 LEU 35 3.609 3.967 2.665 246 HB3 LEU 35 HB2 LEU 35 4.448 5.391 2.056 247 HG LEU 35 HG LEU 35 4.832 2.507 1.270 248 HD11 LEU 35 HD11 LEU 35 4.174 5.085 -0.144 249 HD12 LEU 35 HD12 LEU 35 3.257 3.583 -0.118 250 HD13 LEU 35 HD13 LEU 35 4.763 3.677 -1.024 251 HD21 LEU 35 HD21 LEU 35 7.077 3.208 1.606 252 HD22 LEU 35 HD22 LEU 35 6.752 4.822 0.969 253 HD23 LEU 35 HD23 LEU 35 6.784 3.433 -0.116 254 H CYS 36 H CYS 36 4.285 3.072 5.321 255 HA CYS 36 HA CYS 36 4.374 5.440 7.102 256 HB2 CYS 36 HB3 CYS 36 2.002 4.477 5.677 257 HB3 CYS 36 HB2 CYS 36 1.766 4.593 7.420 Start of MODEL 15 1 HA VAL 1 HA VAL 1 -2.010 11.546 3.880 2 HB VAL 1 HB VAL 1 -4.325 12.209 3.683 3 HG11 VAL 1 HG11 VAL 1 -5.821 11.304 2.027 4 HG12 VAL 1 HG12 VAL 1 -4.617 10.122 1.505 5 HG13 VAL 1 HG13 VAL 1 -4.372 11.838 1.173 6 HG21 VAL 1 HG21 VAL 1 -3.538 9.811 4.707 7 HG22 VAL 1 HG22 VAL 1 -4.737 9.273 3.532 8 HG23 VAL 1 HG23 VAL 1 -5.195 10.407 4.803 9 H CYS 2 H CYS 2 -1.190 9.524 4.261 10 HA CYS 2 HA CYS 2 -1.079 7.667 1.927 11 HB2 CYS 2 HB3 CYS 2 0.725 6.574 3.479 12 HB3 CYS 2 HB2 CYS 2 1.127 8.059 2.620 13 H GLU 3 H GLU 3 -2.328 5.873 2.029 14 HA GLU 3 HA GLU 3 -2.803 4.461 4.530 15 HB2 GLU 3 HB3 GLU 3 -5.149 4.811 4.732 16 HB3 GLU 3 HB2 GLU 3 -4.460 6.419 4.515 17 HG2 GLU 3 HG3 GLU 3 -4.937 6.234 2.062 18 HG3 GLU 3 HG2 GLU 3 -5.768 4.711 2.380 19 H ASP 4 H ASP 4 -4.015 2.431 4.128 20 HA ASP 4 HA ASP 4 -3.221 1.180 1.711 21 HB2 ASP 4 HB3 ASP 4 -4.721 -0.667 2.388 22 HB3 ASP 4 HB2 ASP 4 -3.702 -0.120 3.717 23 H LEU 5 H LEU 5 -4.024 1.366 -0.281 24 HA LEU 5 HA LEU 5 -6.553 2.750 -0.771 25 HB2 LEU 5 HB3 LEU 5 -4.560 1.400 -2.614 26 HB3 LEU 5 HB2 LEU 5 -5.980 2.278 -3.180 27 HG LEU 5 HG LEU 5 -3.733 3.433 -1.495 28 HD11 LEU 5 HD11 LEU 5 -3.945 3.014 -4.297 29 HD12 LEU 5 HD12 LEU 5 -2.721 3.946 -3.433 30 HD13 LEU 5 HD13 LEU 5 -4.181 4.739 -4.019 31 HD21 LEU 5 HD21 LEU 5 -5.479 4.793 -0.871 32 HD22 LEU 5 HD22 LEU 5 -6.429 4.409 -2.308 33 HD23 LEU 5 HD23 LEU 5 -5.102 5.569 -2.409 34 H ASN 6 H ASN 6 -5.341 -0.572 -0.969 35 HA ASN 6 HA ASN 6 -8.045 -1.491 -1.813 36 HB2 ASN 6 HB3 ASN 6 -5.277 -2.562 -2.063 37 HB3 ASN 6 HB2 ASN 6 -6.589 -3.734 -1.936 38 HD21 ASN 6 HD21 ASN 6 -4.802 -2.185 -4.223 39 HD22 ASN 6 HD22 ASN 6 -5.947 -2.076 -5.474 40 H ALA 7 H ALA 7 -9.253 -2.880 -0.530 41 HA ALA 7 HA ALA 7 -8.760 -2.915 2.305 42 HB1 ALA 7 HB1 ALA 7 -11.021 -3.111 1.191 43 HB2 ALA 7 HB2 ALA 7 -10.724 -4.317 2.446 44 HB3 ALA 7 HB3 ALA 7 -10.587 -4.763 0.745 45 H HIS 8 H HIS 8 -7.783 -4.968 -0.306 46 HA HIS 8 HA HIS 8 -7.124 -7.231 1.460 47 HB2 HIS 8 HB3 HIS 8 -6.613 -6.726 -1.489 48 HB3 HIS 8 HB2 HIS 8 -6.178 -8.214 -0.649 49 HD2 HIS 8 HD2 HIS 8 -9.326 -7.727 1.044 50 HE1 HIS 8 HE1 HIS 8 -10.611 -9.186 -2.706 51 HE2 HIS 8 HE2 HIS 8 -11.310 -8.750 -0.306 52 H CYS 9 H CYS 9 -5.797 -4.324 1.273 53 HA CYS 9 HA CYS 9 -3.096 -4.624 0.541 54 HB2 CYS 9 HB3 CYS 9 -4.562 -2.872 2.460 55 HB3 CYS 9 HB2 CYS 9 -2.803 -2.921 2.574 56 H GLU 10 H GLU 10 -4.639 -5.322 3.690 57 HA GLU 10 HA GLU 10 -2.221 -6.117 4.999 58 HB2 GLU 10 HB3 GLU 10 -4.447 -5.638 6.113 59 HB3 GLU 10 HB2 GLU 10 -4.992 -7.215 5.539 60 HG2 GLU 10 HG3 GLU 10 -4.167 -7.489 7.798 61 HG3 GLU 10 HG2 GLU 10 -3.009 -8.241 6.698 62 H MET 11 H MET 11 -4.601 -7.901 3.057 63 HA MET 11 HA MET 11 -3.474 -10.504 3.461 64 HB2 MET 11 HB3 MET 11 -4.993 -9.381 1.085 65 HB3 MET 11 HB2 MET 11 -4.658 -11.091 1.347 66 HG2 MET 11 HG3 MET 11 -5.864 -10.938 3.538 67 HG3 MET 11 HG2 MET 11 -6.299 -9.277 3.137 68 HE1 MET 11 HE1 MET 11 -7.784 -13.199 1.386 69 HE2 MET 11 HE2 MET 11 -6.483 -12.895 2.535 70 HE3 MET 11 HE3 MET 11 -6.202 -12.650 0.814 71 H TRP 12 H TRP 12 -2.813 -7.937 1.122 72 HA TRP 12 HA TRP 12 -0.910 -9.514 -0.387 73 HB2 TRP 12 HB3 TRP 12 -1.257 -6.513 -0.246 74 HB3 TRP 12 HB2 TRP 12 -0.376 -7.387 -1.489 75 HD1 TRP 12 HD1 TRP 12 -2.897 -9.723 -1.252 76 HE1 TRP 12 HE1 TRP 12 -4.960 -9.217 -2.712 77 HE3 TRP 12 HE3 TRP 12 -2.140 -4.760 -2.147 78 HZ2 TRP 12 HZ2 TRP 12 -6.134 -6.997 -4.081 79 HZ3 TRP 12 HZ3 TRP 12 -3.740 -3.472 -3.528 80 HH2 TRP 12 HH2 TRP 12 -5.735 -4.586 -4.499 81 H GLN 13 H GLN 13 -0.602 -7.034 2.151 82 HA GLN 13 HA GLN 13 2.280 -7.069 2.127 83 HB2 GLN 13 HB3 GLN 13 2.137 -5.554 3.877 84 HB3 GLN 13 HB2 GLN 13 0.549 -5.350 3.139 85 HG2 GLN 13 HG3 GLN 13 -0.012 -5.620 5.388 86 HG3 GLN 13 HG2 GLN 13 -0.163 -7.264 4.784 87 HE21 GLN 13 HE21 GLN 13 0.508 -8.454 6.625 88 HE22 GLN 13 HE22 GLN 13 2.030 -8.277 7.355 89 H GLN 14 H GLN 14 -0.193 -8.882 3.916 90 HA GLN 14 HA GLN 14 1.696 -10.122 5.709 91 HB2 GLN 14 HB3 GLN 14 -0.087 -11.390 6.499 92 HB3 GLN 14 HB2 GLN 14 -0.929 -9.991 5.845 93 HG2 GLN 14 HG3 GLN 14 -1.162 -11.296 3.677 94 HG3 GLN 14 HG2 GLN 14 -0.604 -12.713 4.569 95 HE21 GLN 14 HE21 GLN 14 -2.738 -10.053 5.702 96 HE22 GLN 14 HE22 GLN 14 -4.063 -11.055 6.054 97 H LEU 15 H LEU 15 0.591 -10.747 2.459 98 HA LEU 15 HA LEU 15 1.867 -13.384 2.320 99 HB2 LEU 15 HB3 LEU 15 0.680 -11.544 0.232 100 HB3 LEU 15 HB2 LEU 15 1.331 -13.146 -0.132 101 HG LEU 15 HG LEU 15 -0.837 -12.651 1.924 102 HD11 LEU 15 HD11 LEU 15 -2.210 -12.301 0.163 103 HD12 LEU 15 HD12 LEU 15 -1.956 -13.999 -0.239 104 HD13 LEU 15 HD13 LEU 15 -0.957 -12.753 -0.993 105 HD21 LEU 15 HD21 LEU 15 -1.158 -15.187 1.225 106 HD22 LEU 15 HD22 LEU 15 0.057 -14.734 2.422 107 HD23 LEU 15 HD23 LEU 15 0.535 -15.043 0.752 108 H GLY 16 H GLY 16 2.979 -10.230 2.361 109 HA2 GLY 16 HA3 GLY 16 5.280 -9.614 2.190 110 HA3 GLY 16 HA2 GLY 16 5.586 -11.097 1.295 111 H HIS 17 H HIS 17 2.891 -9.188 0.210 112 HA HIS 17 HA HIS 17 3.946 -8.885 -2.411 113 HB2 HIS 17 HB3 HIS 17 1.772 -7.404 -0.922 114 HB3 HIS 17 HB2 HIS 17 2.176 -7.034 -2.599 115 HD2 HIS 17 HD2 HIS 17 2.059 -10.762 -1.268 116 HE1 HIS 17 HE1 HIS 17 -1.013 -10.244 -4.120 117 HE2 HIS 17 HE2 HIS 17 0.192 -11.935 -2.662 118 H CYS 18 H CYS 18 4.320 -6.903 0.463 119 HA CYS 18 HA CYS 18 5.428 -4.606 -0.947 120 HB2 CYS 18 HB3 CYS 18 5.179 -5.481 1.906 121 HB3 CYS 18 HB2 CYS 18 6.380 -4.250 1.519 122 H GLN 19 H GLN 19 6.665 -7.439 0.729 123 HA GLN 19 HA GLN 19 9.458 -6.776 0.437 124 HB2 GLN 19 HB3 GLN 19 8.508 -8.430 2.091 125 HB3 GLN 19 HB2 GLN 19 8.201 -9.518 0.736 126 HG2 GLN 19 HG3 GLN 19 10.608 -9.456 0.154 127 HG3 GLN 19 HG2 GLN 19 10.904 -8.425 1.553 128 HE21 GLN 19 HE21 GLN 19 12.272 -10.795 1.610 129 HE22 GLN 19 HE22 GLN 19 11.561 -11.891 2.693 130 H TYR 20 H TYR 20 7.069 -8.472 -1.482 131 HA TYR 20 HA TYR 20 9.109 -9.251 -3.483 132 HB2 TYR 20 HB3 TYR 20 6.151 -9.880 -3.303 133 HB3 TYR 20 HB2 TYR 20 7.273 -10.566 -4.476 134 HD1 TYR 20 HD2 TYR 20 9.570 -11.445 -3.238 135 HD2 TYR 20 HD1 TYR 20 5.645 -11.268 -1.503 136 HE1 TYR 20 HE2 TYR 20 10.214 -13.190 -1.601 137 HE2 TYR 20 HE1 TYR 20 6.291 -13.011 0.137 138 HH TYR 20 HH TYR 20 8.424 -13.871 1.161 139 H SER 21 H SER 21 5.963 -7.515 -3.402 140 HA SER 21 HA SER 21 6.854 -6.117 -5.897 141 HB2 SER 21 HB3 SER 21 4.723 -7.781 -5.740 142 HB3 SER 21 HB2 SER 21 3.953 -6.263 -5.298 143 HG SER 21 HG SER 21 5.297 -5.501 -7.244 144 HA PRO 22 HA PRO 22 6.058 -2.989 -2.512 145 HB2 PRO 22 HB3 PRO 22 8.463 -1.683 -2.825 146 HB3 PRO 22 HB2 PRO 22 8.197 -3.006 -1.672 147 HG2 PRO 22 HG3 PRO 22 9.540 -3.039 -4.312 148 HG3 PRO 22 HG2 PRO 22 9.885 -3.977 -2.852 149 HD2 PRO 22 HD3 PRO 22 8.561 -4.986 -5.054 150 HD3 PRO 22 HD2 PRO 22 8.395 -5.633 -3.409 151 H LYS 23 H LYS 23 7.169 -2.935 -5.800 152 HA LYS 23 HA LYS 23 6.970 -0.167 -6.393 153 HB2 LYS 23 HB3 LYS 23 6.485 -2.592 -8.142 154 HB3 LYS 23 HB2 LYS 23 6.637 -0.942 -8.751 155 HG2 LYS 23 HG3 LYS 23 8.890 -0.794 -7.704 156 HG3 LYS 23 HG2 LYS 23 8.741 -2.480 -7.201 157 HD2 LYS 23 HD3 LYS 23 8.433 -3.118 -9.602 158 HD3 LYS 23 HD2 LYS 23 8.747 -1.438 -10.048 159 HE2 LYS 23 HE3 LYS 23 10.667 -3.123 -8.420 160 HE3 LYS 23 HE2 LYS 23 10.777 -2.936 -10.171 161 HZ1 LYS 23 HZ1 LYS 23 11.173 -0.653 -9.965 162 HZ2 LYS 23 HZ2 LYS 23 12.149 -1.367 -8.770 163 HZ3 LYS 23 HZ3 LYS 23 10.690 -0.612 -8.339 164 H TYR 24 H TYR 24 4.450 -2.669 -6.194 165 HA TYR 24 HA TYR 24 2.474 -0.588 -7.025 166 HB2 TYR 24 HB3 TYR 24 1.993 -3.557 -6.674 167 HB3 TYR 24 HB2 TYR 24 0.952 -2.389 -7.494 168 HD1 TYR 24 HD1 TYR 24 4.199 -4.164 -7.646 169 HD2 TYR 24 HD2 TYR 24 1.406 -1.666 -9.740 170 HE1 TYR 24 HE1 TYR 24 5.433 -4.555 -9.760 171 HE2 TYR 24 HE2 TYR 24 2.640 -2.056 -11.856 172 HH TYR 24 HH TYR 24 5.745 -3.545 -11.916 173 H MET 25 H MET 25 3.559 -2.455 -4.280 174 HA MET 25 HA MET 25 1.103 -2.135 -2.754 175 HB2 MET 25 HB3 MET 25 3.959 -2.612 -1.844 176 HB3 MET 25 HB2 MET 25 2.554 -2.644 -0.784 177 HG2 MET 25 HG3 MET 25 2.876 -4.412 -3.221 178 HG3 MET 25 HG2 MET 25 3.247 -4.918 -1.574 179 HE1 MET 25 HE1 MET 25 0.670 -5.664 0.258 180 HE2 MET 25 HE2 MET 25 0.240 -3.957 0.284 181 HE3 MET 25 HE3 MET 25 1.935 -4.432 0.232 182 H GLY 26 H GLY 26 4.181 -0.376 -2.989 183 HA2 GLY 26 HA3 GLY 26 3.557 1.630 -1.054 184 HA3 GLY 26 HA2 GLY 26 4.714 1.827 -2.373 185 H HIS 27 H HIS 27 2.593 1.128 -4.357 186 HA HIS 27 HA HIS 27 1.514 3.845 -4.655 187 HB2 HIS 27 HB3 HIS 27 2.478 2.559 -6.585 188 HB3 HIS 27 HB2 HIS 27 1.130 1.428 -6.442 189 HD2 HIS 27 HD2 HIS 27 -1.308 2.356 -7.485 190 HE1 HIS 27 HE1 HIS 27 0.051 6.196 -8.593 191 HE2 HIS 27 HE2 HIS 27 -1.880 4.562 -8.752 192 H TYR 28 H TYR 28 0.508 0.826 -3.405 193 HA TYR 28 HA TYR 28 -2.335 1.747 -3.459 194 HB2 TYR 28 HB3 TYR 28 -1.102 -0.952 -3.791 195 HB3 TYR 28 HB2 TYR 28 -2.680 -0.838 -3.006 196 HD1 TYR 28 HD2 TYR 28 -0.784 -0.094 -6.099 197 HD2 TYR 28 HD1 TYR 28 -4.648 -0.206 -4.226 198 HE1 TYR 28 HE2 TYR 28 -1.868 0.195 -8.311 199 HE2 TYR 28 HE1 TYR 28 -5.729 0.084 -6.438 200 HH TYR 28 HH TYR 28 -5.185 -0.323 -8.813 201 H CYS 29 H CYS 29 -0.110 -0.328 -1.579 202 HA CYS 29 HA CYS 29 -1.609 0.507 0.851 203 HB2 CYS 29 HB3 CYS 29 0.433 -1.703 0.726 204 HB3 CYS 29 HB2 CYS 29 -0.892 -1.493 1.867 205 H LYS 30 H LYS 30 -0.683 2.224 1.816 206 HA LYS 30 HA LYS 30 2.213 2.690 1.550 207 HB2 LYS 30 HB3 LYS 30 0.509 4.390 3.303 208 HB3 LYS 30 HB2 LYS 30 1.757 4.870 2.157 209 HG2 LYS 30 HG3 LYS 30 -1.012 3.865 1.419 210 HG3 LYS 30 HG2 LYS 30 -0.490 5.545 1.375 211 HD2 LYS 30 HD3 LYS 30 1.057 3.466 -0.154 212 HD3 LYS 30 HD2 LYS 30 -0.425 4.139 -0.830 213 HE2 LYS 30 HE3 LYS 30 2.008 5.710 0.064 214 HE3 LYS 30 HE2 LYS 30 1.479 5.452 -1.603 215 HZ1 LYS 30 HZ1 LYS 30 -0.714 6.429 -0.246 216 HZ2 LYS 30 HZ2 LYS 30 0.240 7.258 -1.383 217 HZ3 LYS 30 HZ3 LYS 30 0.590 7.380 0.276 218 H LYS 31 H LYS 31 -0.132 2.424 4.206 219 HA LYS 31 HA LYS 31 1.765 2.240 6.326 220 HB2 LYS 31 HB3 LYS 31 -1.057 1.195 6.019 221 HB3 LYS 31 HB2 LYS 31 -0.179 1.201 7.548 222 HG2 LYS 31 HG3 LYS 31 -0.109 3.552 7.640 223 HG3 LYS 31 HG2 LYS 31 -0.449 3.718 5.915 224 HD2 LYS 31 HD3 LYS 31 -2.551 4.177 6.707 225 HD3 LYS 31 HD2 LYS 31 -2.686 2.421 6.665 226 HE2 LYS 31 HE3 LYS 31 -1.855 4.060 9.075 227 HE3 LYS 31 HE2 LYS 31 -3.439 3.316 8.837 228 HZ1 LYS 31 HZ1 LYS 31 -1.745 1.264 8.406 229 HZ2 LYS 31 HZ2 LYS 31 -2.542 1.576 9.875 230 HZ3 LYS 31 HZ3 LYS 31 -0.948 2.117 9.638 231 H ALA 32 H ALA 32 -0.027 -0.277 4.582 232 HA ALA 32 HA ALA 32 1.096 -2.511 5.888 233 HB1 ALA 32 HB1 ALA 32 0.642 -2.824 2.985 234 HB2 ALA 32 HB2 ALA 32 -0.720 -2.149 3.881 235 HB3 ALA 32 HB3 ALA 32 -0.057 -3.711 4.339 236 H CYS 33 H CYS 33 2.485 -0.290 3.639 237 HA CYS 33 HA CYS 33 4.818 -2.102 3.218 238 HB2 CYS 33 HB3 CYS 33 3.429 -0.310 1.497 239 HB3 CYS 33 HB2 CYS 33 5.032 0.355 1.766 240 H GLY 34 H GLY 34 6.856 -0.392 2.879 241 HA2 GLY 34 HA3 GLY 34 7.225 0.655 5.583 242 HA3 GLY 34 HA2 GLY 34 8.445 0.629 4.311 243 H LEU 35 H LEU 35 5.248 2.033 3.722 244 HA LEU 35 HA LEU 35 6.605 4.632 3.276 245 HB2 LEU 35 HB3 LEU 35 3.703 3.913 2.783 246 HB3 LEU 35 HB2 LEU 35 4.564 5.319 2.168 247 HG LEU 35 HG LEU 35 4.945 2.422 1.415 248 HD11 LEU 35 HD11 LEU 35 4.785 3.550 -0.895 249 HD12 LEU 35 HD12 LEU 35 4.214 4.971 -0.024 250 HD13 LEU 35 HD13 LEU 35 3.308 3.465 0.058 251 HD21 LEU 35 HD21 LEU 35 6.827 3.405 -0.056 252 HD22 LEU 35 HD22 LEU 35 7.186 3.149 1.650 253 HD23 LEU 35 HD23 LEU 35 6.812 4.767 1.061 254 H CYS 36 H CYS 36 3.393 3.889 4.670 255 HA CYS 36 HA CYS 36 4.056 5.835 6.848 256 HB2 CYS 36 HB3 CYS 36 1.631 5.474 5.153 257 HB3 CYS 36 HB2 CYS 36 1.372 5.907 6.842 Start of MODEL 16 1 HA VAL 1 HA VAL 1 -1.241 11.098 5.450 2 HB VAL 1 HB VAL 1 -3.543 12.095 5.275 3 HG11 VAL 1 HG11 VAL 1 -5.192 11.139 3.878 4 HG12 VAL 1 HG12 VAL 1 -4.229 9.689 3.587 5 HG13 VAL 1 HG13 VAL 1 -3.763 11.220 2.844 6 HG21 VAL 1 HG21 VAL 1 -4.082 10.625 6.898 7 HG22 VAL 1 HG22 VAL 1 -2.721 9.623 6.391 8 HG23 VAL 1 HG23 VAL 1 -4.324 9.347 5.707 9 H CYS 2 H CYS 2 -0.946 8.867 5.655 10 HA CYS 2 HA CYS 2 -0.798 7.381 3.076 11 HB2 CYS 2 HB3 CYS 2 0.333 5.924 5.272 12 HB3 CYS 2 HB2 CYS 2 1.157 6.603 3.868 13 H GLU 3 H GLU 3 -2.170 5.674 2.732 14 HA GLU 3 HA GLU 3 -3.344 4.186 4.949 15 HB2 GLU 3 HB3 GLU 3 -5.613 4.831 4.686 16 HB3 GLU 3 HB2 GLU 3 -4.723 6.354 4.696 17 HG2 GLU 3 HG3 GLU 3 -4.664 6.228 2.169 18 HG3 GLU 3 HG2 GLU 3 -5.777 4.864 2.279 19 H ASP 4 H ASP 4 -4.487 2.295 4.183 20 HA ASP 4 HA ASP 4 -3.405 1.250 1.738 21 HB2 ASP 4 HB3 ASP 4 -4.900 -0.687 2.175 22 HB3 ASP 4 HB2 ASP 4 -3.955 -0.231 3.593 23 H LEU 5 H LEU 5 -4.124 1.548 -0.296 24 HA LEU 5 HA LEU 5 -6.656 2.910 -0.803 25 HB2 LEU 5 HB3 LEU 5 -4.641 1.617 -2.674 26 HB3 LEU 5 HB2 LEU 5 -6.031 2.560 -3.206 27 HG LEU 5 HG LEU 5 -3.770 3.572 -1.452 28 HD11 LEU 5 HD11 LEU 5 -4.147 5.047 -3.871 29 HD12 LEU 5 HD12 LEU 5 -4.045 3.337 -4.288 30 HD13 LEU 5 HD13 LEU 5 -2.741 4.102 -3.379 31 HD21 LEU 5 HD21 LEU 5 -6.426 4.677 -2.273 32 HD22 LEU 5 HD22 LEU 5 -5.061 5.790 -2.185 33 HD23 LEU 5 HD23 LEU 5 -5.552 4.880 -0.755 34 H ASN 6 H ASN 6 -5.365 -0.358 -1.072 35 HA ASN 6 HA ASN 6 -8.046 -1.346 -1.908 36 HB2 ASN 6 HB3 ASN 6 -5.250 -2.318 -2.227 37 HB3 ASN 6 HB2 ASN 6 -6.508 -3.543 -2.055 38 HD21 ASN 6 HD21 ASN 6 -4.870 -1.910 -4.410 39 HD22 ASN 6 HD22 ASN 6 -6.061 -1.859 -5.617 40 H ALA 7 H ALA 7 -9.232 -2.629 -0.534 41 HA ALA 7 HA ALA 7 -8.542 -2.712 2.261 42 HB1 ALA 7 HB1 ALA 7 -10.735 -3.781 0.547 43 HB2 ALA 7 HB2 ALA 7 -10.831 -2.820 2.022 44 HB3 ALA 7 HB3 ALA 7 -10.493 -4.549 2.115 45 H HIS 8 H HIS 8 -7.736 -4.699 -0.416 46 HA HIS 8 HA HIS 8 -7.211 -7.092 1.216 47 HB2 HIS 8 HB3 HIS 8 -6.573 -6.472 -1.687 48 HB3 HIS 8 HB2 HIS 8 -6.369 -8.044 -0.917 49 HD2 HIS 8 HD2 HIS 8 -9.526 -7.025 0.629 50 HE1 HIS 8 HE1 HIS 8 -10.777 -8.471 -3.134 51 HE2 HIS 8 HE2 HIS 8 -11.548 -7.817 -0.810 52 H CYS 9 H CYS 9 -5.720 -4.223 1.040 53 HA CYS 9 HA CYS 9 -3.031 -4.653 0.382 54 HB2 CYS 9 HB3 CYS 9 -4.421 -2.903 2.379 55 HB3 CYS 9 HB2 CYS 9 -2.661 -2.993 2.401 56 H GLU 10 H GLU 10 -4.677 -5.330 3.477 57 HA GLU 10 HA GLU 10 -2.350 -6.256 4.844 58 HB2 GLU 10 HB3 GLU 10 -4.544 -5.714 5.929 59 HB3 GLU 10 HB2 GLU 10 -5.199 -7.205 5.250 60 HG2 GLU 10 HG3 GLU 10 -3.423 -8.492 6.416 61 HG3 GLU 10 HG2 GLU 10 -2.837 -6.994 7.140 62 H MET 11 H MET 11 -4.707 -7.917 2.770 63 HA MET 11 HA MET 11 -3.663 -10.554 3.189 64 HB2 MET 11 HB3 MET 11 -5.176 -9.374 0.849 65 HB3 MET 11 HB2 MET 11 -4.783 -11.087 1.000 66 HG2 MET 11 HG3 MET 11 -5.907 -10.926 3.334 67 HG3 MET 11 HG2 MET 11 -6.595 -9.416 2.738 68 HE1 MET 11 HE1 MET 11 -6.859 -10.182 -0.461 69 HE2 MET 11 HE2 MET 11 -7.829 -9.151 0.588 70 HE3 MET 11 HE3 MET 11 -8.608 -10.420 -0.352 71 H TRP 12 H TRP 12 -2.707 -7.923 1.061 72 HA TRP 12 HA TRP 12 -0.826 -9.631 -0.419 73 HB2 TRP 12 HB3 TRP 12 -1.122 -6.619 -0.429 74 HB3 TRP 12 HB2 TRP 12 -0.243 -7.578 -1.608 75 HD1 TRP 12 HD1 TRP 12 -2.693 -9.879 -1.510 76 HE1 TRP 12 HE1 TRP 12 -4.755 -9.383 -2.973 77 HE3 TRP 12 HE3 TRP 12 -2.107 -4.854 -2.169 78 HZ2 TRP 12 HZ2 TRP 12 -5.994 -7.145 -4.259 79 HZ3 TRP 12 HZ3 TRP 12 -3.739 -3.562 -3.513 80 HH2 TRP 12 HH2 TRP 12 -5.681 -4.699 -4.557 81 H GLN 13 H GLN 13 -0.586 -6.979 1.965 82 HA GLN 13 HA GLN 13 2.279 -6.978 2.049 83 HB2 GLN 13 HB3 GLN 13 2.072 -5.499 3.857 84 HB3 GLN 13 HB2 GLN 13 0.563 -5.243 2.983 85 HG2 GLN 13 HG3 GLN 13 -0.191 -5.524 5.184 86 HG3 GLN 13 HG2 GLN 13 -0.352 -7.151 4.526 87 HE21 GLN 13 HE21 GLN 13 -0.038 -8.125 6.670 88 HE22 GLN 13 HE22 GLN 13 1.489 -8.139 7.409 89 H GLN 14 H GLN 14 -0.177 -8.778 3.848 90 HA GLN 14 HA GLN 14 1.603 -9.888 5.791 91 HB2 GLN 14 HB3 GLN 14 -0.173 -11.314 6.390 92 HB3 GLN 14 HB2 GLN 14 -0.989 -9.895 5.731 93 HG2 GLN 14 HG3 GLN 14 -1.007 -11.095 3.490 94 HG3 GLN 14 HG2 GLN 14 -0.503 -12.546 4.361 95 HE21 GLN 14 HE21 GLN 14 -2.748 -10.005 5.521 96 HE22 GLN 14 HE22 GLN 14 -4.090 -11.033 5.667 97 H LEU 15 H LEU 15 0.822 -10.794 2.486 98 HA LEU 15 HA LEU 15 2.290 -13.332 2.682 99 HB2 LEU 15 HB3 LEU 15 1.145 -11.853 0.300 100 HB3 LEU 15 HB2 LEU 15 1.856 -13.464 0.233 101 HG LEU 15 HG LEU 15 -0.536 -12.670 1.921 102 HD11 LEU 15 HD11 LEU 15 -0.204 -13.904 -0.786 103 HD12 LEU 15 HD12 LEU 15 -1.433 -12.778 -0.213 104 HD13 LEU 15 HD13 LEU 15 -1.518 -14.481 0.237 105 HD21 LEU 15 HD21 LEU 15 -0.553 -15.374 1.818 106 HD22 LEU 15 HD22 LEU 15 0.261 -14.476 3.099 107 HD23 LEU 15 HD23 LEU 15 1.186 -15.091 1.729 108 H GLY 16 H GLY 16 3.146 -10.107 2.412 109 HA2 GLY 16 HA3 GLY 16 5.462 -9.426 2.353 110 HA3 GLY 16 HA2 GLY 16 5.845 -10.903 1.476 111 H HIS 17 H HIS 17 3.058 -9.364 0.224 112 HA HIS 17 HA HIS 17 4.142 -8.956 -2.335 113 HB2 HIS 17 HB3 HIS 17 1.880 -7.523 -0.925 114 HB3 HIS 17 HB2 HIS 17 2.284 -7.225 -2.616 115 HD2 HIS 17 HD2 HIS 17 2.382 -10.876 -1.146 116 HE1 HIS 17 HE1 HIS 17 -0.782 -10.652 -3.932 117 HE2 HIS 17 HE2 HIS 17 0.549 -12.211 -2.438 118 H CYS 18 H CYS 18 4.285 -6.882 0.508 119 HA CYS 18 HA CYS 18 5.386 -4.598 -0.929 120 HB2 CYS 18 HB3 CYS 18 4.907 -5.355 1.917 121 HB3 CYS 18 HB2 CYS 18 6.176 -4.169 1.615 122 H GLN 19 H GLN 19 6.616 -7.300 0.974 123 HA GLN 19 HA GLN 19 9.396 -6.535 0.791 124 HB2 GLN 19 HB3 GLN 19 8.457 -8.075 2.527 125 HB3 GLN 19 HB2 GLN 19 8.192 -9.279 1.266 126 HG2 GLN 19 HG3 GLN 19 10.637 -9.174 0.727 127 HG3 GLN 19 HG2 GLN 19 10.856 -8.104 2.111 128 HE21 GLN 19 HE21 GLN 19 12.189 -10.579 2.108 129 HE22 GLN 19 HE22 GLN 19 11.480 -11.608 3.256 130 H TYR 20 H TYR 20 7.196 -8.465 -1.153 131 HA TYR 20 HA TYR 20 9.420 -9.245 -2.955 132 HB2 TYR 20 HB3 TYR 20 6.536 -10.150 -2.782 133 HB3 TYR 20 HB2 TYR 20 7.693 -10.743 -3.976 134 HD1 TYR 20 HD2 TYR 20 10.006 -11.567 -2.970 135 HD2 TYR 20 HD1 TYR 20 6.333 -11.305 -0.757 136 HE1 TYR 20 HE2 TYR 20 10.889 -13.189 -1.316 137 HE2 TYR 20 HE1 TYR 20 7.218 -12.928 0.902 138 HH TYR 20 HH TYR 20 8.915 -14.255 1.455 139 H SER 21 H SER 21 6.197 -7.667 -3.126 140 HA SER 21 HA SER 21 7.140 -6.425 -5.682 141 HB2 SER 21 HB3 SER 21 5.238 -8.273 -5.704 142 HB3 SER 21 HB2 SER 21 4.224 -6.916 -5.223 143 HG SER 21 HG SER 21 4.222 -6.576 -7.312 144 HA PRO 22 HA PRO 22 5.813 -3.176 -2.604 145 HB2 PRO 22 HB3 PRO 22 8.089 -1.674 -2.774 146 HB3 PRO 22 HB2 PRO 22 7.896 -3.016 -1.631 147 HG2 PRO 22 HG3 PRO 22 9.345 -2.931 -4.222 148 HG3 PRO 22 HG2 PRO 22 9.763 -3.768 -2.718 149 HD2 PRO 22 HD3 PRO 22 8.649 -5.024 -4.902 150 HD3 PRO 22 HD2 PRO 22 8.479 -5.611 -3.234 151 H LYS 23 H LYS 23 7.058 -3.198 -5.836 152 HA LYS 23 HA LYS 23 6.812 -0.482 -6.583 153 HB2 LYS 23 HB3 LYS 23 6.334 -2.998 -8.196 154 HB3 LYS 23 HB2 LYS 23 6.477 -1.384 -8.892 155 HG2 LYS 23 HG3 LYS 23 8.736 -1.159 -7.961 156 HG3 LYS 23 HG2 LYS 23 8.597 -2.750 -7.211 157 HD2 LYS 23 HD3 LYS 23 9.845 -2.907 -9.326 158 HD3 LYS 23 HD2 LYS 23 8.313 -3.774 -9.443 159 HE2 LYS 23 HE3 LYS 23 9.064 -2.089 -11.352 160 HE3 LYS 23 HE2 LYS 23 7.373 -2.205 -10.865 161 HZ1 LYS 23 HZ1 LYS 23 8.071 0.091 -10.947 162 HZ2 LYS 23 HZ2 LYS 23 9.348 -0.222 -9.871 163 HZ3 LYS 23 HZ3 LYS 23 7.738 -0.349 -9.343 164 H TYR 24 H TYR 24 4.303 -2.974 -6.262 165 HA TYR 24 HA TYR 24 2.312 -0.992 -7.263 166 HB2 TYR 24 HB3 TYR 24 1.865 -3.923 -6.651 167 HB3 TYR 24 HB2 TYR 24 0.828 -2.852 -7.594 168 HD1 TYR 24 HD1 TYR 24 1.504 -2.092 -9.841 169 HD2 TYR 24 HD2 TYR 24 3.907 -4.840 -7.577 170 HE1 TYR 24 HE1 TYR 24 2.788 -2.656 -11.886 171 HE2 TYR 24 HE2 TYR 24 5.189 -5.405 -9.621 172 HH TYR 24 HH TYR 24 5.693 -4.095 -11.892 173 H MET 25 H MET 25 3.441 -2.504 -4.367 174 HA MET 25 HA MET 25 0.968 -2.124 -2.861 175 HB2 MET 25 HB3 MET 25 3.827 -2.629 -1.996 176 HB3 MET 25 HB2 MET 25 2.472 -2.518 -0.879 177 HG2 MET 25 HG3 MET 25 2.647 -4.479 -3.186 178 HG3 MET 25 HG2 MET 25 3.005 -4.876 -1.506 179 HE1 MET 25 HE1 MET 25 1.438 -5.245 0.301 180 HE2 MET 25 HE2 MET 25 -0.248 -4.738 0.363 181 HE3 MET 25 HE3 MET 25 1.025 -3.528 0.304 182 H GLY 26 H GLY 26 4.034 -0.384 -3.256 183 HA2 GLY 26 HA3 GLY 26 3.521 1.669 -1.351 184 HA3 GLY 26 HA2 GLY 26 4.619 1.820 -2.724 185 H HIS 27 H HIS 27 2.400 1.163 -4.621 186 HA HIS 27 HA HIS 27 1.355 3.909 -4.828 187 HB2 HIS 27 HB3 HIS 27 2.278 2.676 -6.820 188 HB3 HIS 27 HB2 HIS 27 0.906 1.574 -6.703 189 HD2 HIS 27 HD2 HIS 27 -1.530 2.609 -7.657 190 HE1 HIS 27 HE1 HIS 27 -0.104 6.473 -8.593 191 HE2 HIS 27 HE2 HIS 27 -2.087 4.901 -8.769 192 H TYR 28 H TYR 28 0.356 0.993 -3.459 193 HA TYR 28 HA TYR 28 -2.490 1.902 -3.551 194 HB2 TYR 28 HB3 TYR 28 -1.305 -0.825 -3.903 195 HB3 TYR 28 HB2 TYR 28 -2.889 -0.677 -3.137 196 HD1 TYR 28 HD2 TYR 28 -0.949 -0.033 -6.220 197 HD2 TYR 28 HD1 TYR 28 -4.822 0.085 -4.366 198 HE1 TYR 28 HE2 TYR 28 -2.002 0.301 -8.439 199 HE2 TYR 28 HE1 TYR 28 -5.876 0.421 -6.587 200 HH TYR 28 HH TYR 28 -5.314 -0.060 -8.975 201 H CYS 29 H CYS 29 -0.199 -0.126 -1.693 202 HA CYS 29 HA CYS 29 -1.733 0.604 0.751 203 HB2 CYS 29 HB3 CYS 29 0.457 -1.452 0.592 204 HB3 CYS 29 HB2 CYS 29 -0.868 -1.345 1.750 205 H LYS 30 H LYS 30 -0.896 2.379 1.752 206 HA LYS 30 HA LYS 30 1.979 2.987 1.486 207 HB2 LYS 30 HB3 LYS 30 0.140 4.568 3.241 208 HB3 LYS 30 HB2 LYS 30 1.454 5.126 2.209 209 HG2 LYS 30 HG3 LYS 30 -1.256 4.130 1.293 210 HG3 LYS 30 HG2 LYS 30 -0.678 5.791 1.223 211 HD2 LYS 30 HD3 LYS 30 0.685 3.498 -0.222 212 HD3 LYS 30 HD2 LYS 30 -0.548 4.512 -0.965 213 HE2 LYS 30 HE3 LYS 30 2.083 5.486 0.185 214 HE3 LYS 30 HE2 LYS 30 1.684 5.353 -1.524 215 HZ1 LYS 30 HZ1 LYS 30 1.006 7.451 -1.303 216 HZ2 LYS 30 HZ2 LYS 30 0.913 7.361 0.390 217 HZ3 LYS 30 HZ3 LYS 30 -0.372 6.794 -0.566 218 H LYS 31 H LYS 31 -0.334 2.567 4.189 219 HA LYS 31 HA LYS 31 1.664 2.437 6.231 220 HB2 LYS 31 HB3 LYS 31 -1.184 1.475 6.032 221 HB3 LYS 31 HB2 LYS 31 -0.225 1.215 7.488 222 HG2 LYS 31 HG3 LYS 31 -0.071 3.490 7.962 223 HG3 LYS 31 HG2 LYS 31 -0.337 3.960 6.284 224 HD2 LYS 31 HD3 LYS 31 -2.461 4.387 6.931 225 HD3 LYS 31 HD2 LYS 31 -2.680 2.639 6.909 226 HE2 LYS 31 HE3 LYS 31 -2.049 2.517 9.284 227 HE3 LYS 31 HE2 LYS 31 -1.790 4.263 9.311 228 HZ1 LYS 31 HZ1 LYS 31 -3.933 4.517 9.729 229 HZ2 LYS 31 HZ2 LYS 31 -4.197 2.841 9.619 230 HZ3 LYS 31 HZ3 LYS 31 -4.310 3.816 8.232 231 H ALA 32 H ALA 32 -0.063 -0.110 4.460 232 HA ALA 32 HA ALA 32 1.092 -2.334 5.771 233 HB1 ALA 32 HB1 ALA 32 0.000 -3.566 4.202 234 HB2 ALA 32 HB2 ALA 32 0.622 -2.606 2.862 235 HB3 ALA 32 HB3 ALA 32 -0.748 -2.023 3.808 236 H CYS 33 H CYS 33 2.501 -0.102 3.529 237 HA CYS 33 HA CYS 33 4.806 -1.952 3.118 238 HB2 CYS 33 HB3 CYS 33 3.432 -0.159 1.376 239 HB3 CYS 33 HB2 CYS 33 5.056 0.469 1.617 240 H GLY 34 H GLY 34 6.894 -0.335 2.796 241 HA2 GLY 34 HA3 GLY 34 7.350 0.712 5.469 242 HA3 GLY 34 HA2 GLY 34 8.510 0.730 4.144 243 H LEU 35 H LEU 35 5.566 2.030 3.145 244 HA LEU 35 HA LEU 35 6.712 4.686 2.904 245 HB2 LEU 35 HB3 LEU 35 3.813 3.876 2.549 246 HB3 LEU 35 HB2 LEU 35 4.595 5.319 1.904 247 HG LEU 35 HG LEU 35 5.010 2.446 1.098 248 HD11 LEU 35 HD11 LEU 35 3.296 3.512 -0.153 249 HD12 LEU 35 HD12 LEU 35 4.727 3.563 -1.183 250 HD13 LEU 35 HD13 LEU 35 4.225 5.003 -0.298 251 HD21 LEU 35 HD21 LEU 35 6.827 4.822 0.674 252 HD22 LEU 35 HD22 LEU 35 6.837 3.430 -0.409 253 HD23 LEU 35 HD23 LEU 35 7.249 3.224 1.293 254 H CYS 36 H CYS 36 4.279 3.217 5.031 255 HA CYS 36 HA CYS 36 4.715 5.411 6.954 256 HB2 CYS 36 HB3 CYS 36 2.402 5.250 5.208 257 HB3 CYS 36 HB2 CYS 36 1.923 5.168 6.902 Start of MODEL 17 1 HA VAL 1 HA VAL 1 -2.066 11.018 5.040 2 HB VAL 1 HB VAL 1 -2.130 12.924 3.462 3 HG11 VAL 1 HG11 VAL 1 -1.360 11.291 1.132 4 HG12 VAL 1 HG12 VAL 1 -0.025 11.643 2.229 5 HG13 VAL 1 HG13 VAL 1 -0.949 12.965 1.519 6 HG21 VAL 1 HG21 VAL 1 -3.787 10.833 3.468 7 HG22 VAL 1 HG22 VAL 1 -3.129 10.607 1.846 8 HG23 VAL 1 HG23 VAL 1 -3.942 12.114 2.269 9 H CYS 2 H CYS 2 -0.732 8.927 5.489 10 HA CYS 2 HA CYS 2 -0.518 7.318 2.988 11 HB2 CYS 2 HB3 CYS 2 0.526 5.911 5.231 12 HB3 CYS 2 HB2 CYS 2 1.409 6.560 3.849 13 H GLU 3 H GLU 3 -1.942 5.637 2.721 14 HA GLU 3 HA GLU 3 -3.142 4.285 5.001 15 HB2 GLU 3 HB3 GLU 3 -5.377 5.007 4.800 16 HB3 GLU 3 HB2 GLU 3 -4.441 6.498 4.663 17 HG2 GLU 3 HG3 GLU 3 -4.517 6.245 2.161 18 HG3 GLU 3 HG2 GLU 3 -5.616 4.883 2.377 19 H ASP 4 H ASP 4 -4.427 2.437 4.335 20 HA ASP 4 HA ASP 4 -3.388 1.239 1.939 21 HB2 ASP 4 HB3 ASP 4 -4.901 -0.642 2.499 22 HB3 ASP 4 HB2 ASP 4 -3.949 -0.119 3.885 23 H LEU 5 H LEU 5 -4.240 1.173 -0.090 24 HA LEU 5 HA LEU 5 -6.780 2.667 -0.539 25 HB2 LEU 5 HB3 LEU 5 -4.597 1.793 -2.455 26 HB3 LEU 5 HB2 LEU 5 -6.021 2.729 -2.910 27 HG LEU 5 HG LEU 5 -3.988 3.617 -0.844 28 HD11 LEU 5 HD11 LEU 5 -3.949 3.701 -3.758 29 HD12 LEU 5 HD12 LEU 5 -2.674 4.107 -2.609 30 HD13 LEU 5 HD13 LEU 5 -3.875 5.317 -3.056 31 HD21 LEU 5 HD21 LEU 5 -5.256 5.844 -1.763 32 HD22 LEU 5 HD22 LEU 5 -5.754 4.955 -0.325 33 HD23 LEU 5 HD23 LEU 5 -6.561 4.660 -1.863 34 H ASN 6 H ASN 6 -5.312 -0.491 -0.844 35 HA ASN 6 HA ASN 6 -7.734 -1.493 -2.266 36 HB2 ASN 6 HB3 ASN 6 -5.381 -2.007 -3.130 37 HB3 ASN 6 HB2 ASN 6 -5.182 -3.019 -1.701 38 HD21 ASN 6 HD21 ASN 6 -7.119 -2.650 -4.681 39 HD22 ASN 6 HD22 ASN 6 -7.668 -4.255 -4.714 40 H ALA 7 H ALA 7 -9.111 -2.925 -1.216 41 HA ALA 7 HA ALA 7 -9.020 -3.076 1.646 42 HB1 ALA 7 HB1 ALA 7 -11.066 -4.084 1.467 43 HB2 ALA 7 HB2 ALA 7 -10.513 -5.201 0.218 44 HB3 ALA 7 HB3 ALA 7 -10.956 -3.549 -0.211 45 H HIS 8 H HIS 8 -7.638 -5.045 -0.876 46 HA HIS 8 HA HIS 8 -7.059 -7.266 0.989 47 HB2 HIS 8 HB3 HIS 8 -6.327 -6.828 -1.923 48 HB3 HIS 8 HB2 HIS 8 -5.927 -8.277 -1.013 49 HD2 HIS 8 HD2 HIS 8 -9.167 -7.937 0.448 50 HE1 HIS 8 HE1 HIS 8 -10.188 -9.310 -3.414 51 HE2 HIS 8 HE2 HIS 8 -11.026 -8.993 -1.040 52 H CYS 9 H CYS 9 -5.859 -4.316 0.870 53 HA CYS 9 HA CYS 9 -3.111 -4.423 0.335 54 HB2 CYS 9 HB3 CYS 9 -4.806 -2.868 2.244 55 HB3 CYS 9 HB2 CYS 9 -3.056 -2.809 2.463 56 H GLU 10 H GLU 10 -4.656 -5.101 3.510 57 HA GLU 10 HA GLU 10 -2.270 -6.014 4.789 58 HB2 GLU 10 HB3 GLU 10 -4.449 -5.462 5.949 59 HB3 GLU 10 HB2 GLU 10 -5.094 -6.985 5.338 60 HG2 GLU 10 HG3 GLU 10 -3.241 -8.197 6.480 61 HG3 GLU 10 HG2 GLU 10 -2.681 -6.663 7.147 62 H MET 11 H MET 11 -4.714 -7.667 2.852 63 HA MET 11 HA MET 11 -3.799 -10.325 3.276 64 HB2 MET 11 HB3 MET 11 -5.118 -9.130 0.827 65 HB3 MET 11 HB2 MET 11 -4.966 -10.852 1.156 66 HG2 MET 11 HG3 MET 11 -6.466 -8.834 2.855 67 HG3 MET 11 HG2 MET 11 -7.184 -10.077 1.830 68 HE1 MET 11 HE1 MET 11 -6.445 -13.371 3.368 69 HE2 MET 11 HE2 MET 11 -5.134 -12.663 2.432 70 HE3 MET 11 HE3 MET 11 -6.803 -12.398 1.935 71 H TRP 12 H TRP 12 -2.671 -7.775 1.156 72 HA TRP 12 HA TRP 12 -0.895 -9.607 -0.302 73 HB2 TRP 12 HB3 TRP 12 -1.125 -6.589 -0.404 74 HB3 TRP 12 HB2 TRP 12 -0.199 -7.580 -1.520 75 HD1 TRP 12 HD1 TRP 12 -2.747 -9.834 -1.354 76 HE1 TRP 12 HE1 TRP 12 -4.705 -9.375 -2.968 77 HE3 TRP 12 HE3 TRP 12 -1.895 -4.920 -2.353 78 HZ2 TRP 12 HZ2 TRP 12 -5.773 -7.174 -4.496 79 HZ3 TRP 12 HZ3 TRP 12 -3.381 -3.659 -3.873 80 HH2 TRP 12 HH2 TRP 12 -5.319 -4.778 -4.949 81 H GLN 13 H GLN 13 -0.516 -6.959 2.058 82 HA GLN 13 HA GLN 13 2.354 -7.050 2.072 83 HB2 GLN 13 HB3 GLN 13 2.224 -5.535 3.853 84 HB3 GLN 13 HB2 GLN 13 0.711 -5.249 2.996 85 HG2 GLN 13 HG3 GLN 13 -0.027 -5.450 5.208 86 HG3 GLN 13 HG2 GLN 13 -0.241 -7.091 4.604 87 HE21 GLN 13 HE21 GLN 13 0.110 -8.110 6.670 88 HE22 GLN 13 HE22 GLN 13 1.622 -8.100 7.442 89 H GLN 14 H GLN 14 -0.156 -8.760 3.863 90 HA GLN 14 HA GLN 14 1.563 -9.903 5.843 91 HB2 GLN 14 HB3 GLN 14 -0.269 -11.320 6.393 92 HB3 GLN 14 HB2 GLN 14 -1.006 -9.825 5.815 93 HG2 GLN 14 HG3 GLN 14 -1.099 -10.911 3.515 94 HG3 GLN 14 HG2 GLN 14 -0.681 -12.428 4.312 95 HE21 GLN 14 HE21 GLN 14 -2.754 -9.892 5.747 96 HE22 GLN 14 HE22 GLN 14 -4.172 -10.822 5.751 97 H LEU 15 H LEU 15 0.849 -10.732 2.536 98 HA LEU 15 HA LEU 15 2.218 -13.327 2.732 99 HB2 LEU 15 HB3 LEU 15 1.111 -11.773 0.377 100 HB3 LEU 15 HB2 LEU 15 1.767 -13.408 0.275 101 HG LEU 15 HG LEU 15 -0.587 -12.551 1.989 102 HD11 LEU 15 HD11 LEU 15 -0.337 -13.508 -0.778 103 HD12 LEU 15 HD12 LEU 15 -1.704 -12.732 0.022 104 HD13 LEU 15 HD13 LEU 15 -1.448 -14.468 0.199 105 HD21 LEU 15 HD21 LEU 15 0.231 -14.392 3.143 106 HD22 LEU 15 HD22 LEU 15 0.996 -15.075 1.707 107 HD23 LEU 15 HD23 LEU 15 -0.746 -15.220 1.928 108 H GLY 16 H GLY 16 3.145 -10.111 2.504 109 HA2 GLY 16 HA3 GLY 16 5.454 -9.419 2.430 110 HA3 GLY 16 HA2 GLY 16 5.848 -10.916 1.588 111 H HIS 17 H HIS 17 3.085 -9.275 0.346 112 HA HIS 17 HA HIS 17 4.141 -8.948 -2.249 113 HB2 HIS 17 HB3 HIS 17 1.911 -7.550 -0.778 114 HB3 HIS 17 HB2 HIS 17 2.323 -7.108 -2.436 115 HD2 HIS 17 HD2 HIS 17 2.251 -10.836 -1.118 116 HE1 HIS 17 HE1 HIS 17 -0.651 -10.419 -4.155 117 HE2 HIS 17 HE2 HIS 17 0.484 -12.064 -2.591 118 H CYS 18 H CYS 18 4.415 -6.845 0.577 119 HA CYS 18 HA CYS 18 5.502 -4.612 -0.961 120 HB2 CYS 18 HB3 CYS 18 5.149 -5.264 1.941 121 HB3 CYS 18 HB2 CYS 18 6.330 -4.028 1.504 122 H GLN 19 H GLN 19 6.754 -7.271 0.982 123 HA GLN 19 HA GLN 19 9.529 -6.524 0.730 124 HB2 GLN 19 HB3 GLN 19 8.530 -8.102 2.460 125 HB3 GLN 19 HB2 GLN 19 8.419 -9.304 1.176 126 HG2 GLN 19 HG3 GLN 19 10.848 -9.141 0.798 127 HG3 GLN 19 HG2 GLN 19 10.972 -7.940 2.086 128 HE21 GLN 19 HE21 GLN 19 12.432 -10.330 2.317 129 HE22 GLN 19 HE22 GLN 19 11.754 -11.300 3.535 130 H TYR 20 H TYR 20 7.284 -8.431 -1.143 131 HA TYR 20 HA TYR 20 9.414 -9.277 -3.020 132 HB2 TYR 20 HB3 TYR 20 6.475 -9.977 -2.868 133 HB3 TYR 20 HB2 TYR 20 7.641 -10.712 -3.968 134 HD1 TYR 20 HD1 TYR 20 9.964 -11.369 -2.555 135 HD2 TYR 20 HD2 TYR 20 5.945 -11.303 -1.043 136 HE1 TYR 20 HE1 TYR 20 10.608 -12.964 -0.762 137 HE2 TYR 20 HE2 TYR 20 6.590 -12.895 0.744 138 HH TYR 20 HH TYR 20 8.185 -14.172 1.573 139 H SER 21 H SER 21 6.213 -7.640 -3.149 140 HA SER 21 HA SER 21 7.177 -6.297 -5.645 141 HB2 SER 21 HB3 SER 21 5.397 -8.196 -5.875 142 HB3 SER 21 HB2 SER 21 4.278 -6.984 -5.260 143 HG SER 21 HG SER 21 5.403 -7.229 -7.712 144 HA PRO 22 HA PRO 22 5.600 -3.150 -2.592 145 HB2 PRO 22 HB3 PRO 22 7.837 -1.578 -2.619 146 HB3 PRO 22 HB2 PRO 22 7.620 -2.935 -1.497 147 HG2 PRO 22 HG3 PRO 22 9.238 -2.771 -3.977 148 HG3 PRO 22 HG2 PRO 22 9.549 -3.646 -2.468 149 HD2 PRO 22 HD3 PRO 22 8.603 -4.837 -4.785 150 HD3 PRO 22 HD2 PRO 22 8.383 -5.506 -3.154 151 H LYS 23 H LYS 23 6.774 -3.272 -5.768 152 HA LYS 23 HA LYS 23 6.629 -0.552 -6.577 153 HB2 LYS 23 HB3 LYS 23 7.573 -2.401 -7.962 154 HB3 LYS 23 HB2 LYS 23 5.934 -2.993 -8.230 155 HG2 LYS 23 HG3 LYS 23 5.316 -0.814 -9.221 156 HG3 LYS 23 HG2 LYS 23 6.973 -0.250 -8.994 157 HD2 LYS 23 HD3 LYS 23 7.772 -2.134 -10.415 158 HD3 LYS 23 HD2 LYS 23 6.096 -2.593 -10.708 159 HE2 LYS 23 HE3 LYS 23 5.776 -0.905 -12.204 160 HE3 LYS 23 HE2 LYS 23 6.660 0.258 -11.211 161 HZ1 LYS 23 HZ1 LYS 23 7.740 -1.721 -13.127 162 HZ2 LYS 23 HZ2 LYS 23 8.721 -1.015 -11.933 163 HZ3 LYS 23 HZ3 LYS 23 7.970 -0.040 -13.107 164 H TYR 24 H TYR 24 4.092 -2.994 -6.155 165 HA TYR 24 HA TYR 24 2.092 -1.005 -7.138 166 HB2 TYR 24 HB3 TYR 24 1.679 -3.934 -6.480 167 HB3 TYR 24 HB2 TYR 24 0.570 -2.876 -7.355 168 HD1 TYR 24 HD1 TYR 24 1.097 -2.109 -9.640 169 HD2 TYR 24 HD2 TYR 24 3.655 -4.837 -7.534 170 HE1 TYR 24 HE1 TYR 24 2.238 -2.673 -11.764 171 HE2 TYR 24 HE2 TYR 24 4.797 -5.406 -9.654 172 HH TYR 24 HH TYR 24 3.583 -4.436 -12.724 173 H MET 25 H MET 25 3.304 -2.467 -4.262 174 HA MET 25 HA MET 25 0.851 -2.085 -2.735 175 HB2 MET 25 HB3 MET 25 3.704 -2.524 -1.810 176 HB3 MET 25 HB2 MET 25 2.279 -2.568 -0.775 177 HG2 MET 25 HG3 MET 25 2.626 -4.358 -3.195 178 HG3 MET 25 HG2 MET 25 3.084 -4.840 -1.563 179 HE1 MET 25 HE1 MET 25 0.313 -3.628 0.326 180 HE2 MET 25 HE2 MET 25 1.837 -4.507 0.307 181 HE3 MET 25 HE3 MET 25 0.324 -5.387 0.459 182 H GLY 26 H GLY 26 3.944 -0.363 -3.129 183 HA2 GLY 26 HA3 GLY 26 3.380 1.729 -1.266 184 HA3 GLY 26 HA2 GLY 26 4.519 1.854 -2.609 185 H HIS 27 H HIS 27 2.274 1.094 -4.486 186 HA HIS 27 HA HIS 27 1.282 3.840 -4.894 187 HB2 HIS 27 HB3 HIS 27 2.172 2.447 -6.780 188 HB3 HIS 27 HB2 HIS 27 0.807 1.354 -6.557 189 HD2 HIS 27 HD2 HIS 27 -1.785 2.604 -7.107 190 HE1 HIS 27 HE1 HIS 27 -0.109 5.818 -9.264 191 HE2 HIS 27 HE2 HIS 27 -2.268 4.623 -8.681 192 H TYR 28 H TYR 28 0.221 0.989 -3.375 193 HA TYR 28 HA TYR 28 -2.586 2.015 -3.457 194 HB2 TYR 28 HB3 TYR 28 -1.532 -0.767 -3.773 195 HB3 TYR 28 HB2 TYR 28 -3.105 -0.529 -3.012 196 HD1 TYR 28 HD2 TYR 28 -1.146 -0.093 -6.106 197 HD2 TYR 28 HD1 TYR 28 -4.991 0.352 -4.249 198 HE1 TYR 28 HE2 TYR 28 -2.185 0.232 -8.333 199 HE2 TYR 28 HE1 TYR 28 -6.030 0.677 -6.477 200 HH TYR 28 HH TYR 28 -4.038 0.804 -9.418 201 H CYS 29 H CYS 29 -0.329 -0.031 -1.606 202 HA CYS 29 HA CYS 29 -1.805 0.794 0.846 203 HB2 CYS 29 HB3 CYS 29 0.216 -1.424 0.727 204 HB3 CYS 29 HB2 CYS 29 -1.151 -1.233 1.823 205 H LYS 30 H LYS 30 -0.817 2.521 1.793 206 HA LYS 30 HA LYS 30 2.096 2.903 1.499 207 HB2 LYS 30 HB3 LYS 30 0.409 4.644 3.253 208 HB3 LYS 30 HB2 LYS 30 1.736 5.092 2.184 209 HG2 LYS 30 HG3 LYS 30 -1.056 4.266 1.331 210 HG3 LYS 30 HG2 LYS 30 -0.382 5.889 1.237 211 HD2 LYS 30 HD3 LYS 30 0.970 3.583 -0.165 212 HD3 LYS 30 HD2 LYS 30 -0.380 4.426 -0.916 213 HE2 LYS 30 HE3 LYS 30 1.874 6.055 0.208 214 HE3 LYS 30 HE2 LYS 30 2.107 5.238 -1.331 215 HZ1 LYS 30 HZ1 LYS 30 -0.112 6.283 -1.971 216 HZ2 LYS 30 HZ2 LYS 30 1.248 7.300 -1.904 217 HZ3 LYS 30 HZ3 LYS 30 0.116 7.308 -0.638 218 H LYS 31 H LYS 31 -0.211 2.634 4.230 219 HA LYS 31 HA LYS 31 1.790 2.396 6.252 220 HB2 LYS 31 HB3 LYS 31 -1.080 1.490 6.047 221 HB3 LYS 31 HB2 LYS 31 -0.117 1.231 7.506 222 HG2 LYS 31 HG3 LYS 31 0.093 3.514 7.938 223 HG3 LYS 31 HG2 LYS 31 -0.194 3.957 6.257 224 HD2 LYS 31 HD3 LYS 31 -2.276 4.470 6.995 225 HD3 LYS 31 HD2 LYS 31 -2.552 2.731 6.879 226 HE2 LYS 31 HE3 LYS 31 -1.804 4.330 9.332 227 HE3 LYS 31 HE2 LYS 31 -3.239 3.335 9.081 228 HZ1 LYS 31 HZ1 LYS 31 -1.743 1.402 8.892 229 HZ2 LYS 31 HZ2 LYS 31 -1.699 2.139 10.421 230 HZ3 LYS 31 HZ3 LYS 31 -0.437 2.398 9.310 231 H ALA 32 H ALA 32 -0.067 -0.062 4.487 232 HA ALA 32 HA ALA 32 1.068 -2.351 5.676 233 HB1 ALA 32 HB1 ALA 32 -0.001 -3.539 4.025 234 HB2 ALA 32 HB2 ALA 32 0.516 -2.441 2.749 235 HB3 ALA 32 HB3 ALA 32 -0.824 -2.002 3.810 236 H CYS 33 H CYS 33 2.493 -0.078 3.472 237 HA CYS 33 HA CYS 33 4.764 -1.961 3.006 238 HB2 CYS 33 HB3 CYS 33 3.398 -0.130 1.301 239 HB3 CYS 33 HB2 CYS 33 5.028 0.485 1.537 240 H GLY 34 H GLY 34 6.867 -0.329 2.673 241 HA2 GLY 34 HA3 GLY 34 7.321 0.652 5.384 242 HA3 GLY 34 HA2 GLY 34 8.503 0.647 4.076 243 H LEU 35 H LEU 35 5.542 2.040 3.152 244 HA LEU 35 HA LEU 35 6.785 4.671 2.927 245 HB2 LEU 35 HB3 LEU 35 3.857 3.976 2.548 246 HB3 LEU 35 HB2 LEU 35 4.712 5.380 1.912 247 HG LEU 35 HG LEU 35 5.006 2.495 1.101 248 HD11 LEU 35 HD11 LEU 35 4.332 5.076 -0.318 249 HD12 LEU 35 HD12 LEU 35 3.319 3.647 -0.135 250 HD13 LEU 35 HD13 LEU 35 4.741 3.594 -1.177 251 HD21 LEU 35 HD21 LEU 35 6.902 4.807 0.690 252 HD22 LEU 35 HD22 LEU 35 6.866 3.422 -0.403 253 HD23 LEU 35 HD23 LEU 35 7.266 3.192 1.299 254 H CYS 36 H CYS 36 4.393 3.142 5.037 255 HA CYS 36 HA CYS 36 4.837 5.275 7.018 256 HB2 CYS 36 HB3 CYS 36 2.523 5.208 5.272 257 HB3 CYS 36 HB2 CYS 36 2.039 5.053 6.958 Start of MODEL 18 1 HA VAL 1 HA VAL 1 -1.482 11.565 4.550 2 HB VAL 1 HB VAL 1 -3.319 12.696 3.283 3 HG11 VAL 1 HG11 VAL 1 -3.400 10.383 1.391 4 HG12 VAL 1 HG12 VAL 1 -2.238 11.668 1.060 5 HG13 VAL 1 HG13 VAL 1 -3.958 12.041 1.161 6 HG21 VAL 1 HG21 VAL 1 -3.775 10.853 4.891 7 HG22 VAL 1 HG22 VAL 1 -3.636 9.689 3.572 8 HG23 VAL 1 HG23 VAL 1 -4.943 10.872 3.570 9 H CYS 2 H CYS 2 -1.546 9.310 4.825 10 HA CYS 2 HA CYS 2 -0.750 7.634 2.493 11 HB2 CYS 2 HB3 CYS 2 0.943 6.490 3.841 12 HB3 CYS 2 HB2 CYS 2 1.293 8.218 3.812 13 H GLU 3 H GLU 3 -2.094 5.887 2.380 14 HA GLU 3 HA GLU 3 -2.968 4.480 4.771 15 HB2 GLU 3 HB3 GLU 3 -5.300 4.951 4.680 16 HB3 GLU 3 HB2 GLU 3 -4.507 6.524 4.579 17 HG2 GLU 3 HG3 GLU 3 -4.673 6.388 2.082 18 HG3 GLU 3 HG2 GLU 3 -5.609 4.905 2.266 19 H ASP 4 H ASP 4 -4.227 2.530 4.203 20 HA ASP 4 HA ASP 4 -3.257 1.271 1.834 21 HB2 ASP 4 HB3 ASP 4 -4.831 -0.539 2.381 22 HB3 ASP 4 HB2 ASP 4 -3.980 0.003 3.826 23 H LEU 5 H LEU 5 -4.247 0.915 -0.173 24 HA LEU 5 HA LEU 5 -6.628 2.637 -0.707 25 HB2 LEU 5 HB3 LEU 5 -4.514 1.514 -2.571 26 HB3 LEU 5 HB2 LEU 5 -5.917 2.438 -3.105 27 HG LEU 5 HG LEU 5 -3.789 3.436 -1.184 28 HD11 LEU 5 HD11 LEU 5 -2.633 4.008 -3.032 29 HD12 LEU 5 HD12 LEU 5 -3.996 4.998 -3.551 30 HD13 LEU 5 HD13 LEU 5 -3.891 3.313 -4.055 31 HD21 LEU 5 HD21 LEU 5 -5.596 4.730 -0.577 32 HD22 LEU 5 HD22 LEU 5 -6.429 4.465 -2.110 33 HD23 LEU 5 HD23 LEU 5 -5.112 5.635 -2.011 34 H ASN 6 H ASN 6 -5.353 -0.637 -0.956 35 HA ASN 6 HA ASN 6 -7.945 -1.531 -2.130 36 HB2 ASN 6 HB3 ASN 6 -5.665 -2.206 -3.141 37 HB3 ASN 6 HB2 ASN 6 -5.508 -3.263 -1.738 38 HD21 ASN 6 HD21 ASN 6 -6.528 -5.271 -1.878 39 HD22 ASN 6 HD22 ASN 6 -7.677 -5.693 -3.053 40 H ALA 7 H ALA 7 -9.221 -3.046 -1.024 41 HA ALA 7 HA ALA 7 -9.036 -3.052 1.846 42 HB1 ALA 7 HB1 ALA 7 -10.591 -5.235 0.613 43 HB2 ALA 7 HB2 ALA 7 -11.013 -3.625 0.033 44 HB3 ALA 7 HB3 ALA 7 -11.104 -3.994 1.755 45 H HIS 8 H HIS 8 -7.678 -5.087 -0.621 46 HA HIS 8 HA HIS 8 -7.091 -7.267 1.289 47 HB2 HIS 8 HB3 HIS 8 -6.351 -6.921 -1.632 48 HB3 HIS 8 HB2 HIS 8 -6.038 -8.362 -0.673 49 HD2 HIS 8 HD2 HIS 8 -9.232 -7.941 0.759 50 HE1 HIS 8 HE1 HIS 8 -10.338 -9.174 -3.125 51 HE2 HIS 8 HE2 HIS 8 -11.151 -8.869 -0.743 52 H CYS 9 H CYS 9 -5.841 -4.325 0.997 53 HA CYS 9 HA CYS 9 -3.111 -4.527 0.429 54 HB2 CYS 9 HB3 CYS 9 -4.754 -2.802 2.205 55 HB3 CYS 9 HB2 CYS 9 -3.017 -2.814 2.509 56 H GLU 10 H GLU 10 -4.697 -5.203 3.582 57 HA GLU 10 HA GLU 10 -2.261 -5.918 4.913 58 HB2 GLU 10 HB3 GLU 10 -4.425 -5.447 6.081 59 HB3 GLU 10 HB2 GLU 10 -5.042 -6.986 5.478 60 HG2 GLU 10 HG3 GLU 10 -3.136 -8.145 6.594 61 HG3 GLU 10 HG2 GLU 10 -2.634 -6.598 7.279 62 H MET 11 H MET 11 -4.639 -7.838 3.102 63 HA MET 11 HA MET 11 -3.488 -10.392 3.607 64 HB2 MET 11 HB3 MET 11 -4.996 -9.371 1.185 65 HB3 MET 11 HB2 MET 11 -4.636 -11.069 1.494 66 HG2 MET 11 HG3 MET 11 -5.854 -10.915 3.653 67 HG3 MET 11 HG2 MET 11 -6.262 -9.240 3.284 68 HE1 MET 11 HE1 MET 11 -8.623 -11.693 3.784 69 HE2 MET 11 HE2 MET 11 -9.670 -10.629 2.847 70 HE3 MET 11 HE3 MET 11 -8.453 -9.937 3.916 71 H TRP 12 H TRP 12 -2.799 -7.957 1.133 72 HA TRP 12 HA TRP 12 -0.866 -9.598 -0.261 73 HB2 TRP 12 HB3 TRP 12 -1.234 -6.598 -0.229 74 HB3 TRP 12 HB2 TRP 12 -0.285 -7.491 -1.405 75 HD1 TRP 12 HD1 TRP 12 -2.757 -9.870 -1.226 76 HE1 TRP 12 HE1 TRP 12 -4.759 -9.439 -2.792 77 HE3 TRP 12 HE3 TRP 12 -2.066 -4.910 -2.171 78 HZ2 TRP 12 HZ2 TRP 12 -5.912 -7.260 -4.259 79 HZ3 TRP 12 HZ3 TRP 12 -3.621 -3.678 -3.650 80 HH2 TRP 12 HH2 TRP 12 -5.543 -4.846 -4.695 81 H GLN 13 H GLN 13 -0.586 -7.001 2.165 82 HA GLN 13 HA GLN 13 2.286 -7.022 2.161 83 HB2 GLN 13 HB3 GLN 13 2.126 -5.434 3.825 84 HB3 GLN 13 HB2 GLN 13 0.509 -5.307 3.135 85 HG2 GLN 13 HG3 GLN 13 0.017 -5.509 5.400 86 HG3 GLN 13 HG2 GLN 13 -0.068 -7.189 4.884 87 HE21 GLN 13 HE21 GLN 13 0.898 -8.441 6.496 88 HE22 GLN 13 HE22 GLN 13 2.364 -8.066 7.270 89 H GLN 14 H GLN 14 -0.158 -8.804 4.008 90 HA GLN 14 HA GLN 14 1.748 -9.969 5.834 91 HB2 GLN 14 HB3 GLN 14 -0.026 -11.208 6.678 92 HB3 GLN 14 HB2 GLN 14 -0.881 -9.847 5.956 93 HG2 GLN 14 HG3 GLN 14 -1.036 -11.288 3.838 94 HG3 GLN 14 HG2 GLN 14 -0.561 -12.641 4.863 95 HE21 GLN 14 HE21 GLN 14 -2.602 -9.877 5.865 96 HE22 GLN 14 HE22 GLN 14 -3.992 -10.803 6.164 97 H LEU 15 H LEU 15 0.657 -10.710 2.599 98 HA LEU 15 HA LEU 15 1.947 -13.345 2.573 99 HB2 LEU 15 HB3 LEU 15 0.768 -11.603 0.396 100 HB3 LEU 15 HB2 LEU 15 1.447 -13.205 0.101 101 HG LEU 15 HG LEU 15 -0.806 -12.617 2.041 102 HD11 LEU 15 HD11 LEU 15 -1.511 -12.272 -0.287 103 HD12 LEU 15 HD12 LEU 15 -2.227 -13.750 0.357 104 HD13 LEU 15 HD13 LEU 15 -0.843 -13.842 -0.731 105 HD21 LEU 15 HD21 LEU 15 0.057 -14.592 2.848 106 HD22 LEU 15 HD22 LEU 15 0.789 -15.025 1.304 107 HD23 LEU 15 HD23 LEU 15 -0.942 -15.254 1.554 108 H GLY 16 H GLY 16 3.038 -10.177 2.483 109 HA2 GLY 16 HA3 GLY 16 5.360 -9.584 2.345 110 HA3 GLY 16 HA2 GLY 16 5.664 -11.075 1.456 111 H HIS 17 H HIS 17 2.942 -9.312 0.323 112 HA HIS 17 HA HIS 17 3.952 -8.979 -2.287 113 HB2 HIS 17 HB3 HIS 17 1.794 -7.512 -0.775 114 HB3 HIS 17 HB2 HIS 17 2.154 -7.160 -2.465 115 HD2 HIS 17 HD2 HIS 17 2.192 -10.855 -1.091 116 HE1 HIS 17 HE1 HIS 17 -0.992 -10.487 -3.840 117 HE2 HIS 17 HE2 HIS 17 0.324 -12.115 -2.406 118 H CYS 18 H CYS 18 4.356 -6.929 0.546 119 HA CYS 18 HA CYS 18 5.396 -4.663 -0.958 120 HB2 CYS 18 HB3 CYS 18 5.243 -5.442 1.933 121 HB3 CYS 18 HB2 CYS 18 6.394 -4.192 1.463 122 H GLN 19 H GLN 19 6.738 -7.430 0.773 123 HA GLN 19 HA GLN 19 9.498 -6.698 0.364 124 HB2 GLN 19 HB3 GLN 19 8.641 -8.330 2.097 125 HB3 GLN 19 HB2 GLN 19 8.364 -9.474 0.787 126 HG2 GLN 19 HG3 GLN 19 10.755 -9.330 0.160 127 HG3 GLN 19 HG2 GLN 19 11.030 -8.223 1.507 128 HE21 GLN 19 HE21 GLN 19 8.717 -10.175 2.727 129 HE22 GLN 19 HE22 GLN 19 9.670 -11.397 3.415 130 H TYR 20 H TYR 20 7.097 -8.485 -1.449 131 HA TYR 20 HA TYR 20 9.111 -9.273 -3.472 132 HB2 TYR 20 HB3 TYR 20 6.164 -9.939 -3.213 133 HB3 TYR 20 HB2 TYR 20 7.245 -10.584 -4.451 134 HD1 TYR 20 HD1 TYR 20 9.546 -11.560 -3.444 135 HD2 TYR 20 HD2 TYR 20 5.829 -11.249 -1.318 136 HE1 TYR 20 HE1 TYR 20 10.294 -13.331 -1.877 137 HE2 TYR 20 HE2 TYR 20 6.578 -13.015 0.252 138 HH TYR 20 HH TYR 20 9.167 -13.851 0.981 139 H SER 21 H SER 21 5.971 -7.516 -3.381 140 HA SER 21 HA SER 21 6.870 -6.147 -5.889 141 HB2 SER 21 HB3 SER 21 4.780 -7.848 -5.791 142 HB3 SER 21 HB2 SER 21 3.958 -6.361 -5.329 143 HG SER 21 HG SER 21 3.951 -6.487 -7.550 144 HA PRO 22 HA PRO 22 5.958 -3.012 -2.541 145 HB2 PRO 22 HB3 PRO 22 8.342 -1.665 -2.799 146 HB3 PRO 22 HB2 PRO 22 8.079 -2.994 -1.655 147 HG2 PRO 22 HG3 PRO 22 9.474 -2.991 -4.269 148 HG3 PRO 22 HG2 PRO 22 9.810 -3.929 -2.804 149 HD2 PRO 22 HD3 PRO 22 8.545 -4.952 -5.038 150 HD3 PRO 22 HD2 PRO 22 8.369 -5.617 -3.399 151 H LYS 23 H LYS 23 7.111 -2.962 -5.803 152 HA LYS 23 HA LYS 23 6.916 -0.199 -6.407 153 HB2 LYS 23 HB3 LYS 23 6.410 -2.616 -8.162 154 HB3 LYS 23 HB2 LYS 23 6.607 -0.966 -8.756 155 HG2 LYS 23 HG3 LYS 23 8.852 -0.874 -7.694 156 HG3 LYS 23 HG2 LYS 23 8.659 -2.552 -7.184 157 HD2 LYS 23 HD3 LYS 23 8.411 -3.235 -9.550 158 HD3 LYS 23 HD2 LYS 23 8.640 -1.559 -10.051 159 HE2 LYS 23 HE3 LYS 23 10.718 -3.023 -10.149 160 HE3 LYS 23 HE2 LYS 23 10.887 -1.526 -9.232 161 HZ1 LYS 23 HZ1 LYS 23 10.996 -2.623 -7.272 162 HZ2 LYS 23 HZ2 LYS 23 11.616 -3.853 -8.264 163 HZ3 LYS 23 HZ3 LYS 23 9.988 -3.890 -7.779 164 H TYR 24 H TYR 24 4.399 -2.697 -6.212 165 HA TYR 24 HA TYR 24 2.426 -0.619 -7.054 166 HB2 TYR 24 HB3 TYR 24 1.945 -3.586 -6.702 167 HB3 TYR 24 HB2 TYR 24 0.908 -2.421 -7.528 168 HD1 TYR 24 HD1 TYR 24 4.123 -4.248 -7.687 169 HD2 TYR 24 HD2 TYR 24 1.389 -1.673 -9.770 170 HE1 TYR 24 HE1 TYR 24 5.346 -4.664 -9.807 171 HE2 TYR 24 HE2 TYR 24 2.612 -2.087 -11.889 172 HH TYR 24 HH TYR 24 5.495 -3.052 -12.196 173 H MET 25 H MET 25 3.499 -2.513 -4.313 174 HA MET 25 HA MET 25 1.043 -2.195 -2.785 175 HB2 MET 25 HB3 MET 25 3.905 -2.651 -1.886 176 HB3 MET 25 HB2 MET 25 2.501 -2.700 -0.820 177 HG2 MET 25 HG3 MET 25 2.796 -4.442 -3.278 178 HG3 MET 25 HG2 MET 25 3.241 -4.965 -1.656 179 HE1 MET 25 HE1 MET 25 0.356 -3.905 0.288 180 HE2 MET 25 HE2 MET 25 1.982 -4.576 0.218 181 HE3 MET 25 HE3 MET 25 0.597 -5.655 0.306 182 H GLY 26 H GLY 26 4.112 -0.418 -3.010 183 HA2 GLY 26 HA3 GLY 26 3.491 1.590 -1.082 184 HA3 GLY 26 HA2 GLY 26 4.639 1.783 -2.411 185 H HIS 27 H HIS 27 2.530 1.115 -4.407 186 HA HIS 27 HA HIS 27 1.462 3.834 -4.683 187 HB2 HIS 27 HB3 HIS 27 2.370 2.536 -6.634 188 HB3 HIS 27 HB2 HIS 27 1.006 1.426 -6.466 189 HD2 HIS 27 HD2 HIS 27 -1.499 2.480 -7.295 190 HE1 HIS 27 HE1 HIS 27 -0.015 6.201 -8.623 191 HE2 HIS 27 HE2 HIS 27 -2.050 4.689 -8.564 192 H TYR 28 H TYR 28 0.411 0.808 -3.465 193 HA TYR 28 HA TYR 28 -2.410 1.792 -3.478 194 HB2 TYR 28 HB3 TYR 28 -1.226 -0.935 -3.839 195 HB3 TYR 28 HB2 TYR 28 -2.826 -0.785 -3.105 196 HD1 TYR 28 HD2 TYR 28 -0.816 -0.124 -6.140 197 HD2 TYR 28 HD1 TYR 28 -4.728 0.004 -4.370 198 HE1 TYR 28 HE2 TYR 28 -1.816 0.250 -8.377 199 HE2 TYR 28 HE1 TYR 28 -5.727 0.379 -6.608 200 HH TYR 28 HH TYR 28 -3.732 0.968 -9.436 201 H CYS 29 H CYS 29 -0.145 -0.273 -1.623 202 HA CYS 29 HA CYS 29 -1.657 0.518 0.819 203 HB2 CYS 29 HB3 CYS 29 0.439 -1.642 0.693 204 HB3 CYS 29 HB2 CYS 29 -0.896 -1.459 1.831 205 H LYS 30 H LYS 30 -0.755 2.258 1.789 206 HA LYS 30 HA LYS 30 2.130 2.796 1.504 207 HB2 LYS 30 HB3 LYS 30 0.298 4.440 3.217 208 HB3 LYS 30 HB2 LYS 30 1.644 4.966 2.209 209 HG2 LYS 30 HG3 LYS 30 -1.035 3.953 1.205 210 HG3 LYS 30 HG2 LYS 30 -0.507 5.634 1.205 211 HD2 LYS 30 HD3 LYS 30 1.078 3.492 -0.218 212 HD3 LYS 30 HD2 LYS 30 -0.265 4.315 -1.000 213 HE2 LYS 30 HE3 LYS 30 2.208 5.626 0.157 214 HE3 LYS 30 HE2 LYS 30 1.803 5.477 -1.551 215 HZ1 LYS 30 HZ1 LYS 30 0.732 7.278 0.461 216 HZ2 LYS 30 HZ2 LYS 30 -0.398 6.633 -0.633 217 HZ3 LYS 30 HZ3 LYS 30 0.940 7.510 -1.206 218 H LYS 31 H LYS 31 -0.181 2.467 4.202 219 HA LYS 31 HA LYS 31 1.782 2.335 6.280 220 HB2 LYS 31 HB3 LYS 31 -1.044 1.271 6.067 221 HB3 LYS 31 HB2 LYS 31 -0.102 1.217 7.556 222 HG2 LYS 31 HG3 LYS 31 -0.122 3.524 7.823 223 HG3 LYS 31 HG2 LYS 31 -0.340 3.823 6.099 224 HD2 LYS 31 HD3 LYS 31 -2.470 4.293 6.840 225 HD3 LYS 31 HD2 LYS 31 -2.653 2.567 6.549 226 HE2 LYS 31 HE3 LYS 31 -1.774 2.391 9.044 227 HE3 LYS 31 HE2 LYS 31 -2.400 4.037 9.143 228 HZ1 LYS 31 HZ1 LYS 31 -4.327 3.006 9.555 229 HZ2 LYS 31 HZ2 LYS 31 -3.817 1.531 8.884 230 HZ3 LYS 31 HZ3 LYS 31 -4.390 2.775 7.876 231 H ALA 32 H ALA 32 -0.002 -0.176 4.539 232 HA ALA 32 HA ALA 32 1.144 -2.434 5.796 233 HB1 ALA 32 HB1 ALA 32 -0.718 -2.036 3.846 234 HB2 ALA 32 HB2 ALA 32 -0.039 -3.608 4.252 235 HB3 ALA 32 HB3 ALA 32 0.621 -2.690 2.900 236 H CYS 33 H CYS 33 2.491 -0.200 3.513 237 HA CYS 33 HA CYS 33 4.824 -2.014 3.100 238 HB2 CYS 33 HB3 CYS 33 3.398 -0.261 1.343 239 HB3 CYS 33 HB2 CYS 33 5.024 0.372 1.544 240 H GLY 34 H GLY 34 6.855 -0.299 2.705 241 HA2 GLY 34 HA3 GLY 34 7.252 0.804 5.378 242 HA3 GLY 34 HA2 GLY 34 8.440 0.795 4.076 243 H LEU 35 H LEU 35 5.183 2.131 3.626 244 HA LEU 35 HA LEU 35 6.499 4.770 3.182 245 HB2 LEU 35 HB3 LEU 35 3.637 3.990 2.582 246 HB3 LEU 35 HB2 LEU 35 4.512 5.389 1.968 247 HG LEU 35 HG LEU 35 4.913 2.483 1.273 248 HD11 LEU 35 HD11 LEU 35 4.323 5.018 -0.260 249 HD12 LEU 35 HD12 LEU 35 3.315 3.581 -0.123 250 HD13 LEU 35 HD13 LEU 35 4.813 3.521 -1.049 251 HD21 LEU 35 HD21 LEU 35 6.875 3.391 -0.108 252 HD22 LEU 35 HD22 LEU 35 7.145 3.235 1.625 253 HD23 LEU 35 HD23 LEU 35 6.803 4.816 0.926 254 H CYS 36 H CYS 36 4.299 3.079 5.268 255 HA CYS 36 HA CYS 36 4.305 5.342 7.131 256 HB2 CYS 36 HB3 CYS 36 2.106 4.919 5.299 257 HB3 CYS 36 HB2 CYS 36 1.566 4.692 6.962 Start of MODEL 19 1 HA VAL 1 HA VAL 1 -1.456 11.440 4.652 2 HB VAL 1 HB VAL 1 -3.376 12.566 3.358 3 HG11 VAL 1 HG11 VAL 1 -4.276 11.538 1.490 4 HG12 VAL 1 HG12 VAL 1 -3.696 9.941 1.958 5 HG13 VAL 1 HG13 VAL 1 -2.580 11.116 1.263 6 HG21 VAL 1 HG21 VAL 1 -4.922 10.528 3.936 7 HG22 VAL 1 HG22 VAL 1 -4.038 11.324 5.238 8 HG23 VAL 1 HG23 VAL 1 -3.442 9.806 4.566 9 H CYS 2 H CYS 2 -1.501 9.176 4.943 10 HA CYS 2 HA CYS 2 -0.785 7.528 2.565 11 HB2 CYS 2 HB3 CYS 2 1.022 6.488 3.711 12 HB3 CYS 2 HB2 CYS 2 1.214 8.210 4.037 13 H GLU 3 H GLU 3 -2.146 5.810 2.432 14 HA GLU 3 HA GLU 3 -2.954 4.322 4.786 15 HB2 GLU 3 HB3 GLU 3 -5.298 4.788 4.775 16 HB3 GLU 3 HB2 GLU 3 -4.492 6.352 4.771 17 HG2 GLU 3 HG3 GLU 3 -4.713 6.399 2.275 18 HG3 GLU 3 HG2 GLU 3 -5.668 4.920 2.376 19 H ASP 4 H ASP 4 -4.227 2.400 4.183 20 HA ASP 4 HA ASP 4 -3.302 1.306 1.695 21 HB2 ASP 4 HB3 ASP 4 -4.744 -0.638 2.281 22 HB3 ASP 4 HB2 ASP 4 -3.677 -0.157 3.599 23 H LEU 5 H LEU 5 -4.151 1.577 -0.267 24 HA LEU 5 HA LEU 5 -6.721 2.920 -0.610 25 HB2 LEU 5 HB3 LEU 5 -4.797 1.695 -2.615 26 HB3 LEU 5 HB2 LEU 5 -6.215 2.662 -3.042 27 HG LEU 5 HG LEU 5 -3.856 3.601 -1.371 28 HD11 LEU 5 HD11 LEU 5 -4.202 3.405 -4.173 29 HD12 LEU 5 HD12 LEU 5 -2.934 4.276 -3.312 30 HD13 LEU 5 HD13 LEU 5 -4.420 5.108 -3.770 31 HD21 LEU 5 HD21 LEU 5 -5.122 5.854 -1.914 32 HD22 LEU 5 HD22 LEU 5 -5.642 4.863 -0.552 33 HD23 LEU 5 HD23 LEU 5 -6.522 4.796 -2.079 34 H ASN 6 H ASN 6 -5.457 -0.361 -0.957 35 HA ASN 6 HA ASN 6 -8.172 -1.270 -1.773 36 HB2 ASN 6 HB3 ASN 6 -5.981 -1.946 -3.012 37 HB3 ASN 6 HB2 ASN 6 -5.744 -3.039 -1.646 38 HD21 ASN 6 HD21 ASN 6 -6.317 -5.061 -2.494 39 HD22 ASN 6 HD22 ASN 6 -7.791 -5.396 -3.266 40 H ALA 7 H ALA 7 -9.284 -2.797 -0.544 41 HA ALA 7 HA ALA 7 -8.723 -2.806 2.295 42 HB1 ALA 7 HB1 ALA 7 -10.698 -4.243 2.462 43 HB2 ALA 7 HB2 ALA 7 -10.679 -4.504 0.716 44 HB3 ALA 7 HB3 ALA 7 -11.029 -2.901 1.366 45 H HIS 8 H HIS 8 -7.748 -4.785 -0.341 46 HA HIS 8 HA HIS 8 -7.195 -7.141 1.354 47 HB2 HIS 8 HB3 HIS 8 -6.629 -6.558 -1.567 48 HB3 HIS 8 HB2 HIS 8 -6.281 -8.091 -0.776 49 HD2 HIS 8 HD2 HIS 8 -9.414 -7.590 0.894 50 HE1 HIS 8 HE1 HIS 8 -10.727 -8.726 -2.959 51 HE2 HIS 8 HE2 HIS 8 -11.422 -8.450 -0.535 52 H CYS 9 H CYS 9 -5.755 -4.235 1.054 53 HA CYS 9 HA CYS 9 -3.069 -4.603 0.405 54 HB2 CYS 9 HB3 CYS 9 -4.484 -2.869 2.396 55 HB3 CYS 9 HB2 CYS 9 -2.722 -2.926 2.419 56 H GLU 10 H GLU 10 -4.596 -5.248 3.586 57 HA GLU 10 HA GLU 10 -2.185 -6.190 4.820 58 HB2 GLU 10 HB3 GLU 10 -4.332 -5.566 6.022 59 HB3 GLU 10 HB2 GLU 10 -4.993 -7.107 5.476 60 HG2 GLU 10 HG3 GLU 10 -3.088 -8.279 6.575 61 HG3 GLU 10 HG2 GLU 10 -2.526 -6.730 7.195 62 H MET 11 H MET 11 -4.728 -7.778 2.945 63 HA MET 11 HA MET 11 -3.883 -10.469 3.337 64 HB2 MET 11 HB3 MET 11 -5.221 -9.181 0.938 65 HB3 MET 11 HB2 MET 11 -5.053 -10.920 1.177 66 HG2 MET 11 HG3 MET 11 -6.295 -10.693 3.340 67 HG3 MET 11 HG2 MET 11 -6.560 -8.992 2.965 68 HE1 MET 11 HE1 MET 11 -8.651 -9.821 3.697 69 HE2 MET 11 HE2 MET 11 -9.667 -11.043 2.940 70 HE3 MET 11 HE3 MET 11 -9.792 -9.362 2.425 71 H TRP 12 H TRP 12 -2.739 -7.939 1.148 72 HA TRP 12 HA TRP 12 -0.980 -9.818 -0.280 73 HB2 TRP 12 HB3 TRP 12 -1.054 -6.796 -0.447 74 HB3 TRP 12 HB2 TRP 12 -0.330 -7.901 -1.609 75 HD1 TRP 12 HD1 TRP 12 -2.990 -9.940 -1.196 76 HE1 TRP 12 HE1 TRP 12 -5.073 -9.346 -2.597 77 HE3 TRP 12 HE3 TRP 12 -1.935 -5.077 -2.317 78 HZ2 TRP 12 HZ2 TRP 12 -6.146 -7.094 -4.014 79 HZ3 TRP 12 HZ3 TRP 12 -3.494 -3.731 -3.691 80 HH2 TRP 12 HH2 TRP 12 -5.596 -4.729 -4.540 81 H GLN 13 H GLN 13 -0.575 -7.123 2.035 82 HA GLN 13 HA GLN 13 2.294 -7.209 2.016 83 HB2 GLN 13 HB3 GLN 13 2.202 -5.679 3.791 84 HB3 GLN 13 HB2 GLN 13 0.678 -5.391 2.949 85 HG2 GLN 13 HG3 GLN 13 -0.046 -5.586 5.158 86 HG3 GLN 13 HG2 GLN 13 -0.234 -7.241 4.584 87 HE21 GLN 13 HE21 GLN 13 0.200 -8.300 6.595 88 HE22 GLN 13 HE22 GLN 13 1.702 -8.210 7.380 89 H GLN 14 H GLN 14 -0.153 -8.925 3.859 90 HA GLN 14 HA GLN 14 1.626 -10.050 5.795 91 HB2 GLN 14 HB3 GLN 14 -0.172 -11.486 6.375 92 HB3 GLN 14 HB2 GLN 14 -0.937 -9.998 5.824 93 HG2 GLN 14 HG3 GLN 14 -1.075 -11.074 3.521 94 HG3 GLN 14 HG2 GLN 14 -0.630 -12.587 4.306 95 HE21 GLN 14 HE21 GLN 14 -2.690 -10.020 5.712 96 HE22 GLN 14 HE22 GLN 14 -4.088 -10.975 5.815 97 H LEU 15 H LEU 15 0.819 -10.869 2.495 98 HA LEU 15 HA LEU 15 2.214 -13.455 2.618 99 HB2 LEU 15 HB3 LEU 15 1.139 -11.877 0.261 100 HB3 LEU 15 HB2 LEU 15 1.736 -13.535 0.185 101 HG LEU 15 HG LEU 15 -0.640 -12.547 1.797 102 HD11 LEU 15 HD11 LEU 15 -1.042 -12.767 -0.642 103 HD12 LEU 15 HD12 LEU 15 -1.936 -13.979 0.277 104 HD13 LEU 15 HD13 LEU 15 -0.460 -14.431 -0.575 105 HD21 LEU 15 HD21 LEU 15 -0.837 -15.207 1.936 106 HD22 LEU 15 HD22 LEU 15 0.100 -14.294 3.118 107 HD23 LEU 15 HD23 LEU 15 0.916 -15.099 1.779 108 H GLY 16 H GLY 16 3.111 -10.228 2.425 109 HA2 GLY 16 HA3 GLY 16 5.421 -9.541 2.401 110 HA3 GLY 16 HA2 GLY 16 5.820 -10.999 1.503 111 H HIS 17 H HIS 17 3.048 -9.444 0.240 112 HA HIS 17 HA HIS 17 4.169 -8.982 -2.295 113 HB2 HIS 17 HB3 HIS 17 1.835 -7.684 -0.888 114 HB3 HIS 17 HB2 HIS 17 2.268 -7.267 -2.548 115 HD2 HIS 17 HD2 HIS 17 2.416 -10.969 -1.190 116 HE1 HIS 17 HE1 HIS 17 -0.555 -10.760 -4.184 117 HE2 HIS 17 HE2 HIS 17 0.712 -12.319 -2.635 118 H CYS 18 H CYS 18 4.177 -6.880 0.545 119 HA CYS 18 HA CYS 18 5.306 -4.608 -0.899 120 HB2 CYS 18 HB3 CYS 18 4.723 -5.282 1.956 121 HB3 CYS 18 HB2 CYS 18 5.934 -4.038 1.642 122 H GLN 19 H GLN 19 6.492 -7.272 1.077 123 HA GLN 19 HA GLN 19 9.259 -6.437 1.044 124 HB2 GLN 19 HB3 GLN 19 8.232 -8.077 2.680 125 HB3 GLN 19 HB2 GLN 19 8.173 -9.247 1.361 126 HG2 GLN 19 HG3 GLN 19 10.631 -8.999 1.059 127 HG3 GLN 19 HG2 GLN 19 10.665 -7.906 2.449 128 HE21 GLN 19 HE21 GLN 19 12.165 -10.251 2.676 129 HE22 GLN 19 HE22 GLN 19 11.401 -11.338 3.732 130 H TYR 20 H TYR 20 7.192 -8.366 -1.030 131 HA TYR 20 HA TYR 20 9.488 -9.119 -2.744 132 HB2 TYR 20 HB3 TYR 20 6.575 -9.938 -2.795 133 HB3 TYR 20 HB2 TYR 20 7.819 -10.590 -3.860 134 HD1 TYR 20 HD1 TYR 20 10.085 -11.249 -2.411 135 HD2 TYR 20 HD2 TYR 20 6.028 -11.304 -0.998 136 HE1 TYR 20 HE1 TYR 20 10.712 -12.891 -0.661 137 HE2 TYR 20 HE2 TYR 20 6.658 -12.946 0.751 138 HH TYR 20 HH TYR 20 9.973 -13.731 1.419 139 H SER 21 H SER 21 6.271 -7.554 -3.104 140 HA SER 21 HA SER 21 7.372 -6.209 -5.545 141 HB2 SER 21 HB3 SER 21 5.621 -8.066 -5.914 142 HB3 SER 21 HB2 SER 21 4.467 -6.939 -5.208 143 HG SER 21 HG SER 21 5.823 -5.548 -6.939 144 HA PRO 22 HA PRO 22 5.704 -3.058 -2.522 145 HB2 PRO 22 HB3 PRO 22 7.961 -1.522 -2.415 146 HB3 PRO 22 HB2 PRO 22 7.679 -2.902 -1.337 147 HG2 PRO 22 HG3 PRO 22 9.384 -2.709 -3.760 148 HG3 PRO 22 HG2 PRO 22 9.654 -3.602 -2.252 149 HD2 PRO 22 HD3 PRO 22 8.781 -4.765 -4.599 150 HD3 PRO 22 HD2 PRO 22 8.479 -5.442 -2.986 151 H LYS 23 H LYS 23 7.175 -3.039 -5.628 152 HA LYS 23 HA LYS 23 7.041 -0.305 -6.352 153 HB2 LYS 23 HB3 LYS 23 6.624 -2.765 -8.071 154 HB3 LYS 23 HB2 LYS 23 6.958 -1.142 -8.682 155 HG2 LYS 23 HG3 LYS 23 9.084 -1.134 -7.374 156 HG3 LYS 23 HG2 LYS 23 8.763 -2.801 -6.895 157 HD2 LYS 23 HD3 LYS 23 8.662 -3.409 -9.334 158 HD3 LYS 23 HD2 LYS 23 9.179 -1.767 -9.715 159 HE2 LYS 23 HE3 LYS 23 11.035 -3.518 -9.596 160 HE3 LYS 23 HE2 LYS 23 11.278 -2.071 -8.613 161 HZ1 LYS 23 HZ1 LYS 23 11.715 -4.214 -7.449 162 HZ2 LYS 23 HZ2 LYS 23 10.058 -4.571 -7.583 163 HZ3 LYS 23 HZ3 LYS 23 10.570 -3.221 -6.684 164 H TYR 24 H TYR 24 4.489 -2.770 -6.287 165 HA TYR 24 HA TYR 24 2.605 -0.742 -7.402 166 HB2 TYR 24 HB3 TYR 24 2.059 -3.667 -6.853 167 HB3 TYR 24 HB2 TYR 24 1.100 -2.563 -7.836 168 HD1 TYR 24 HD1 TYR 24 1.874 -1.839 -10.049 169 HD2 TYR 24 HD2 TYR 24 4.139 -4.612 -7.684 170 HE1 TYR 24 HE1 TYR 24 3.201 -2.461 -12.051 171 HE2 TYR 24 HE2 TYR 24 5.468 -5.239 -9.685 172 HH TYR 24 HH TYR 24 4.689 -4.941 -12.569 173 H MET 25 H MET 25 3.498 -2.342 -4.472 174 HA MET 25 HA MET 25 0.942 -1.977 -3.124 175 HB2 MET 25 HB3 MET 25 3.737 -2.471 -2.077 176 HB3 MET 25 HB2 MET 25 2.300 -2.428 -1.064 177 HG2 MET 25 HG3 MET 25 2.653 -4.291 -3.431 178 HG3 MET 25 HG2 MET 25 2.960 -4.748 -1.753 179 HE1 MET 25 HE1 MET 25 -0.339 -4.700 0.013 180 HE2 MET 25 HE2 MET 25 1.105 -3.706 0.064 181 HE3 MET 25 HE3 MET 25 1.256 -5.452 -0.089 182 H GLY 26 H GLY 26 3.974 -0.184 -3.389 183 HA2 GLY 26 HA3 GLY 26 3.427 1.791 -1.419 184 HA3 GLY 26 HA2 GLY 26 4.494 2.022 -2.808 185 H HIS 27 H HIS 27 2.239 1.332 -4.657 186 HA HIS 27 HA HIS 27 1.143 4.052 -4.833 187 HB2 HIS 27 HB3 HIS 27 2.008 2.808 -6.838 188 HB3 HIS 27 HB2 HIS 27 0.659 1.683 -6.656 189 HD2 HIS 27 HD2 HIS 27 -1.853 2.702 -7.456 190 HE1 HIS 27 HE1 HIS 27 -0.457 6.476 -8.727 191 HE2 HIS 27 HE2 HIS 27 -2.454 4.913 -8.697 192 H TYR 28 H TYR 28 0.203 1.064 -3.516 193 HA TYR 28 HA TYR 28 -2.637 1.996 -3.417 194 HB2 TYR 28 HB3 TYR 28 -1.473 -0.732 -3.881 195 HB3 TYR 28 HB2 TYR 28 -3.047 -0.579 -3.100 196 HD1 TYR 28 HD2 TYR 28 -1.125 0.082 -6.192 197 HD2 TYR 28 HD1 TYR 28 -4.983 0.233 -4.311 198 HE1 TYR 28 HE2 TYR 28 -2.190 0.449 -8.405 199 HE2 TYR 28 HE1 TYR 28 -6.049 0.601 -6.520 200 HH TYR 28 HH TYR 28 -4.122 1.121 -9.428 201 H CYS 29 H CYS 29 -0.324 -0.187 -1.732 202 HA CYS 29 HA CYS 29 -1.703 0.544 0.802 203 HB2 CYS 29 HB3 CYS 29 0.409 -1.585 0.515 204 HB3 CYS 29 HB2 CYS 29 -0.882 -1.461 1.711 205 H LYS 30 H LYS 30 -0.773 2.272 1.777 206 HA LYS 30 HA LYS 30 2.104 2.796 1.408 207 HB2 LYS 30 HB3 LYS 30 0.361 4.416 3.220 208 HB3 LYS 30 HB2 LYS 30 1.664 4.951 2.158 209 HG2 LYS 30 HG3 LYS 30 -1.066 3.975 1.264 210 HG3 LYS 30 HG2 LYS 30 -0.524 5.651 1.268 211 HD2 LYS 30 HD3 LYS 30 1.016 3.533 -0.228 212 HD3 LYS 30 HD2 LYS 30 -0.374 4.323 -0.959 213 HE2 LYS 30 HE3 LYS 30 2.158 5.639 0.052 214 HE3 LYS 30 HE2 LYS 30 1.575 5.576 -1.611 215 HZ1 LYS 30 HZ1 LYS 30 0.980 7.678 -0.823 216 HZ2 LYS 30 HZ2 LYS 30 0.441 7.081 0.670 217 HZ3 LYS 30 HZ3 LYS 30 -0.455 6.781 -0.741 218 H LYS 31 H LYS 31 -0.144 2.403 4.139 219 HA LYS 31 HA LYS 31 1.856 2.220 6.172 220 HB2 LYS 31 HB3 LYS 31 -0.954 1.125 5.972 221 HB3 LYS 31 HB2 LYS 31 0.010 1.065 7.450 222 HG2 LYS 31 HG3 LYS 31 -0.114 3.337 7.788 223 HG3 LYS 31 HG2 LYS 31 -0.210 3.693 6.062 224 HD2 LYS 31 HD3 LYS 31 -2.379 4.167 6.796 225 HD3 LYS 31 HD2 LYS 31 -2.538 2.514 6.209 226 HE2 LYS 31 HE3 LYS 31 -1.732 2.161 8.834 227 HE3 LYS 31 HE2 LYS 31 -2.799 3.563 8.933 228 HZ1 LYS 31 HZ1 LYS 31 -4.300 1.872 9.074 229 HZ2 LYS 31 HZ2 LYS 31 -3.400 0.820 8.089 230 HZ3 LYS 31 HZ3 LYS 31 -4.284 2.093 7.392 231 H ALA 32 H ALA 32 0.035 -0.272 4.430 232 HA ALA 32 HA ALA 32 1.253 -2.533 5.594 233 HB1 ALA 32 HB1 ALA 32 -0.665 -2.121 3.698 234 HB2 ALA 32 HB2 ALA 32 0.044 -3.690 4.057 235 HB3 ALA 32 HB3 ALA 32 0.661 -2.736 2.707 236 H CYS 33 H CYS 33 2.504 -0.223 3.331 237 HA CYS 33 HA CYS 33 4.845 -1.993 2.794 238 HB2 CYS 33 HB3 CYS 33 3.349 -0.100 1.202 239 HB3 CYS 33 HB2 CYS 33 5.042 0.367 1.278 240 H GLY 34 H GLY 34 6.915 -0.469 2.536 241 HA2 GLY 34 HA3 GLY 34 7.405 0.635 5.155 242 HA3 GLY 34 HA2 GLY 34 8.517 0.702 3.788 243 H LEU 35 H LEU 35 5.256 1.952 3.418 244 HA LEU 35 HA LEU 35 6.498 4.637 3.113 245 HB2 LEU 35 HB3 LEU 35 3.660 3.792 2.495 246 HB3 LEU 35 HB2 LEU 35 4.463 5.268 1.971 247 HG LEU 35 HG LEU 35 4.985 2.438 1.079 248 HD11 LEU 35 HD11 LEU 35 3.290 3.654 -0.163 249 HD12 LEU 35 HD12 LEU 35 4.736 3.518 -1.159 250 HD13 LEU 35 HD13 LEU 35 4.368 5.035 -0.345 251 HD21 LEU 35 HD21 LEU 35 6.877 3.573 -0.282 252 HD22 LEU 35 HD22 LEU 35 7.195 3.201 1.414 253 HD23 LEU 35 HD23 LEU 35 6.791 4.848 0.934 254 H CYS 36 H CYS 36 4.416 2.788 5.180 255 HA CYS 36 HA CYS 36 4.391 5.015 7.100 256 HB2 CYS 36 HB3 CYS 36 2.120 4.444 5.368 257 HB3 CYS 36 HB2 CYS 36 1.699 4.293 7.073 Start of MODEL 20 1 HA VAL 1 HA VAL 1 -0.664 11.499 4.615 2 HB VAL 1 HB VAL 1 -1.402 10.320 6.611 3 HG11 VAL 1 HG11 VAL 1 -1.800 12.872 6.275 4 HG12 VAL 1 HG12 VAL 1 -2.605 12.074 7.628 5 HG13 VAL 1 HG13 VAL 1 -3.503 12.435 6.153 6 HG21 VAL 1 HG21 VAL 1 -4.063 10.136 6.727 7 HG22 VAL 1 HG22 VAL 1 -3.087 8.839 6.033 8 HG23 VAL 1 HG23 VAL 1 -3.892 10.005 4.980 9 H CYS 2 H CYS 2 -0.831 8.791 5.693 10 HA CYS 2 HA CYS 2 -0.632 7.312 3.110 11 HB2 CYS 2 HB3 CYS 2 0.499 5.669 4.976 12 HB3 CYS 2 HB2 CYS 2 1.400 6.836 4.013 13 H GLU 3 H GLU 3 -2.114 5.748 2.701 14 HA GLU 3 HA GLU 3 -3.365 4.257 4.903 15 HB2 GLU 3 HB3 GLU 3 -5.610 4.904 4.486 16 HB3 GLU 3 HB2 GLU 3 -4.713 6.424 4.515 17 HG2 GLU 3 HG3 GLU 3 -4.511 6.266 2.008 18 HG3 GLU 3 HG2 GLU 3 -5.597 4.877 2.064 19 H ASP 4 H ASP 4 -4.605 2.396 4.065 20 HA ASP 4 HA ASP 4 -3.378 1.338 1.650 21 HB2 ASP 4 HB3 ASP 4 -4.855 -0.645 2.114 22 HB3 ASP 4 HB2 ASP 4 -3.803 -0.197 3.457 23 H LEU 5 H LEU 5 -4.131 1.574 -0.378 24 HA LEU 5 HA LEU 5 -6.684 2.882 -0.881 25 HB2 LEU 5 HB3 LEU 5 -4.724 1.534 -2.765 26 HB3 LEU 5 HB2 LEU 5 -6.109 2.491 -3.279 27 HG LEU 5 HG LEU 5 -3.744 3.472 -1.652 28 HD11 LEU 5 HD11 LEU 5 -4.374 4.904 -4.088 29 HD12 LEU 5 HD12 LEU 5 -4.123 3.194 -4.428 30 HD13 LEU 5 HD13 LEU 5 -2.863 4.126 -3.620 31 HD21 LEU 5 HD21 LEU 5 -5.021 5.718 -2.260 32 HD22 LEU 5 HD22 LEU 5 -5.454 4.799 -0.818 33 HD23 LEU 5 HD23 LEU 5 -6.423 4.649 -2.285 34 H ASN 6 H ASN 6 -5.394 -0.394 -1.111 35 HA ASN 6 HA ASN 6 -8.085 -1.388 -1.910 36 HB2 ASN 6 HB3 ASN 6 -5.285 -2.361 -2.229 37 HB3 ASN 6 HB2 ASN 6 -6.543 -3.587 -2.050 38 HD21 ASN 6 HD21 ASN 6 -4.987 -2.912 -4.530 39 HD22 ASN 6 HD22 ASN 6 -6.144 -2.464 -5.688 40 H ALA 7 H ALA 7 -9.241 -2.735 -0.550 41 HA ALA 7 HA ALA 7 -8.605 -2.741 2.262 42 HB1 ALA 7 HB1 ALA 7 -10.862 -3.263 0.720 43 HB2 ALA 7 HB2 ALA 7 -10.746 -3.442 2.470 44 HB3 ALA 7 HB3 ALA 7 -10.465 -4.831 1.419 45 H HIS 8 H HIS 8 -7.740 -4.791 -0.363 46 HA HIS 8 HA HIS 8 -7.125 -7.105 1.347 47 HB2 HIS 8 HB3 HIS 8 -6.579 -6.562 -1.584 48 HB3 HIS 8 HB2 HIS 8 -6.292 -8.101 -0.771 49 HD2 HIS 8 HD2 HIS 8 -9.357 -7.478 0.935 50 HE1 HIS 8 HE1 HIS 8 -10.805 -8.497 -2.899 51 HE2 HIS 8 HE2 HIS 8 -11.436 -8.212 -0.459 52 H CYS 9 H CYS 9 -5.698 -4.210 1.062 53 HA CYS 9 HA CYS 9 -3.011 -4.608 0.368 54 HB2 CYS 9 HB3 CYS 9 -4.375 -2.836 2.371 55 HB3 CYS 9 HB2 CYS 9 -2.615 -2.887 2.315 56 H GLU 10 H GLU 10 -4.567 -5.203 3.533 57 HA GLU 10 HA GLU 10 -2.185 -6.113 4.831 58 HB2 GLU 10 HB3 GLU 10 -4.341 -5.502 5.990 59 HB3 GLU 10 HB2 GLU 10 -5.016 -7.026 5.409 60 HG2 GLU 10 HG3 GLU 10 -3.148 -8.238 6.536 61 HG3 GLU 10 HG2 GLU 10 -2.590 -6.702 7.196 62 H MET 11 H MET 11 -4.665 -7.767 2.925 63 HA MET 11 HA MET 11 -3.778 -10.440 3.365 64 HB2 MET 11 HB3 MET 11 -5.104 -9.204 0.931 65 HB3 MET 11 HB2 MET 11 -4.924 -10.936 1.203 66 HG2 MET 11 HG3 MET 11 -6.418 -9.015 3.014 67 HG3 MET 11 HG2 MET 11 -7.161 -10.165 1.902 68 HE1 MET 11 HE1 MET 11 -6.578 -12.439 1.738 69 HE2 MET 11 HE2 MET 11 -6.543 -13.541 3.110 70 HE3 MET 11 HE3 MET 11 -5.034 -12.897 2.470 71 H TRP 12 H TRP 12 -2.673 -7.927 1.148 72 HA TRP 12 HA TRP 12 -0.856 -9.787 -0.227 73 HB2 TRP 12 HB3 TRP 12 -1.024 -6.774 -0.472 74 HB3 TRP 12 HB2 TRP 12 -0.266 -7.885 -1.604 75 HD1 TRP 12 HD1 TRP 12 -2.828 -10.013 -1.188 76 HE1 TRP 12 HE1 TRP 12 -4.931 -9.521 -2.596 77 HE3 TRP 12 HE3 TRP 12 -2.004 -5.104 -2.306 78 HZ2 TRP 12 HZ2 TRP 12 -6.110 -7.325 -4.008 79 HZ3 TRP 12 HZ3 TRP 12 -3.630 -3.833 -3.677 80 HH2 TRP 12 HH2 TRP 12 -5.680 -4.935 -4.529 81 H GLN 13 H GLN 13 -0.551 -7.049 2.053 82 HA GLN 13 HA GLN 13 2.329 -7.114 2.060 83 HB2 GLN 13 HB3 GLN 13 2.217 -5.521 3.763 84 HB3 GLN 13 HB2 GLN 13 0.693 -5.269 2.912 85 HG2 GLN 13 HG3 GLN 13 -0.029 -5.382 5.131 86 HG3 GLN 13 HG2 GLN 13 -0.221 -7.056 4.613 87 HE21 GLN 13 HE21 GLN 13 0.252 -8.119 6.593 88 HE22 GLN 13 HE22 GLN 13 1.745 -7.981 7.392 89 H GLN 14 H GLN 14 -0.148 -8.770 3.958 90 HA GLN 14 HA GLN 14 1.632 -9.830 5.938 91 HB2 GLN 14 HB3 GLN 14 -0.158 -11.215 6.598 92 HB3 GLN 14 HB2 GLN 14 -0.964 -9.807 5.909 93 HG2 GLN 14 HG3 GLN 14 -1.012 -11.071 3.698 94 HG3 GLN 14 HG2 GLN 14 -0.526 -12.501 4.610 95 HE21 GLN 14 HE21 GLN 14 -2.745 -9.881 5.642 96 HE22 GLN 14 HE22 GLN 14 -4.093 -10.891 5.856 97 H LEU 15 H LEU 15 0.822 -10.770 2.664 98 HA LEU 15 HA LEU 15 2.239 -13.337 2.890 99 HB2 LEU 15 HB3 LEU 15 1.094 -11.870 0.493 100 HB3 LEU 15 HB2 LEU 15 1.779 -13.495 0.442 101 HG LEU 15 HG LEU 15 -0.601 -12.639 2.120 102 HD11 LEU 15 HD11 LEU 15 -1.826 -14.176 0.546 103 HD12 LEU 15 HD12 LEU 15 -0.359 -14.268 -0.427 104 HD13 LEU 15 HD13 LEU 15 -1.195 -12.726 -0.234 105 HD21 LEU 15 HD21 LEU 15 1.113 -15.055 2.017 106 HD22 LEU 15 HD22 LEU 15 -0.622 -15.363 2.017 107 HD23 LEU 15 HD23 LEU 15 0.108 -14.445 3.333 108 H GLY 16 H GLY 16 3.109 -10.113 2.539 109 HA2 GLY 16 HA3 GLY 16 5.414 -9.412 2.459 110 HA3 GLY 16 HA2 GLY 16 5.819 -10.921 1.648 111 H HIS 17 H HIS 17 3.034 -9.489 0.295 112 HA HIS 17 HA HIS 17 4.152 -9.147 -2.266 113 HB2 HIS 17 HB3 HIS 17 1.796 -7.795 -0.943 114 HB3 HIS 17 HB2 HIS 17 2.230 -7.482 -2.624 115 HD2 HIS 17 HD2 HIS 17 2.365 -11.102 -1.038 116 HE1 HIS 17 HE1 HIS 17 -0.580 -11.058 -4.065 117 HE2 HIS 17 HE2 HIS 17 0.659 -12.527 -2.408 118 H CYS 18 H CYS 18 4.167 -6.941 0.487 119 HA CYS 18 HA CYS 18 5.115 -4.643 -1.025 120 HB2 CYS 18 HB3 CYS 18 4.626 -5.329 1.808 121 HB3 CYS 18 HB2 CYS 18 5.982 -4.231 1.558 122 H GLN 19 H GLN 19 6.567 -7.204 0.919 123 HA GLN 19 HA GLN 19 9.283 -6.271 0.693 124 HB2 GLN 19 HB3 GLN 19 8.415 -7.897 2.419 125 HB3 GLN 19 HB2 GLN 19 8.300 -9.103 1.138 126 HG2 GLN 19 HG3 GLN 19 10.714 -8.884 0.699 127 HG3 GLN 19 HG2 GLN 19 10.837 -7.672 1.977 128 HE21 GLN 19 HE21 GLN 19 12.308 -10.111 2.135 129 HE22 GLN 19 HE22 GLN 19 11.684 -11.037 3.413 130 H TYR 20 H TYR 20 7.232 -8.444 -1.176 131 HA TYR 20 HA TYR 20 9.451 -9.130 -2.989 132 HB2 TYR 20 HB3 TYR 20 6.530 -9.943 -2.988 133 HB3 TYR 20 HB2 TYR 20 7.773 -10.606 -4.054 134 HD1 TYR 20 HD1 TYR 20 10.019 -11.318 -2.697 135 HD2 TYR 20 HD2 TYR 20 6.040 -11.190 -1.087 136 HE1 TYR 20 HE1 TYR 20 10.686 -12.918 -0.921 137 HE2 TYR 20 HE2 TYR 20 6.705 -12.789 0.690 138 HH TYR 20 HH TYR 20 8.642 -13.615 1.792 139 H SER 21 H SER 21 6.230 -7.556 -3.287 140 HA SER 21 HA SER 21 7.325 -6.213 -5.730 141 HB2 SER 21 HB3 SER 21 5.441 -8.098 -5.905 142 HB3 SER 21 HB2 SER 21 4.397 -6.735 -5.519 143 HG SER 21 HG SER 21 4.671 -6.855 -7.743 144 HA PRO 22 HA PRO 22 5.692 -3.098 -2.640 145 HB2 PRO 22 HB3 PRO 22 7.940 -1.513 -2.685 146 HB3 PRO 22 HB2 PRO 22 7.677 -2.821 -1.521 147 HG2 PRO 22 HG3 PRO 22 9.358 -2.765 -3.961 148 HG3 PRO 22 HG2 PRO 22 9.623 -3.599 -2.422 149 HD2 PRO 22 HD3 PRO 22 8.746 -4.857 -4.710 150 HD3 PRO 22 HD2 PRO 22 8.418 -5.451 -3.067 151 H LYS 23 H LYS 23 7.038 -3.086 -5.808 152 HA LYS 23 HA LYS 23 6.762 -0.363 -6.546 153 HB2 LYS 23 HB3 LYS 23 7.858 -2.097 -7.962 154 HB3 LYS 23 HB2 LYS 23 6.269 -2.788 -8.299 155 HG2 LYS 23 HG3 LYS 23 5.547 -0.585 -9.220 156 HG3 LYS 23 HG2 LYS 23 7.184 0.022 -8.975 157 HD2 LYS 23 HD3 LYS 23 8.017 -1.857 -10.432 158 HD3 LYS 23 HD2 LYS 23 6.331 -2.245 -10.792 159 HE2 LYS 23 HE3 LYS 23 7.426 -0.739 -12.498 160 HE3 LYS 23 HE2 LYS 23 5.966 -0.069 -11.771 161 HZ1 LYS 23 HZ1 LYS 23 7.115 1.525 -10.715 162 HZ2 LYS 23 HZ2 LYS 23 8.290 1.231 -11.907 163 HZ3 LYS 23 HZ3 LYS 23 8.435 0.517 -10.372 164 H TYR 24 H TYR 24 4.340 -2.935 -6.286 165 HA TYR 24 HA TYR 24 2.291 -1.054 -7.346 166 HB2 TYR 24 HB3 TYR 24 1.963 -3.974 -6.608 167 HB3 TYR 24 HB2 TYR 24 0.857 -2.986 -7.563 168 HD1 TYR 24 HD1 TYR 24 4.084 -4.755 -7.538 169 HD2 TYR 24 HD2 TYR 24 1.390 -2.352 -9.866 170 HE1 TYR 24 HE1 TYR 24 5.348 -5.328 -9.591 171 HE2 TYR 24 HE2 TYR 24 2.654 -2.926 -11.921 172 HH TYR 24 HH TYR 24 5.722 -4.486 -11.812 173 H MET 25 H MET 25 3.461 -2.388 -4.373 174 HA MET 25 HA MET 25 0.947 -1.965 -2.933 175 HB2 MET 25 HB3 MET 25 3.747 -2.344 -1.830 176 HB3 MET 25 HB2 MET 25 2.241 -2.466 -0.927 177 HG2 MET 25 HG3 MET 25 1.680 -4.228 -2.864 178 HG3 MET 25 HG2 MET 25 3.433 -4.367 -2.885 179 HE1 MET 25 HE1 MET 25 0.424 -5.256 0.345 180 HE2 MET 25 HE2 MET 25 0.398 -4.014 -0.905 181 HE3 MET 25 HE3 MET 25 1.220 -3.701 0.622 182 H GLY 26 H GLY 26 4.038 -0.279 -3.338 183 HA2 GLY 26 HA3 GLY 26 3.531 1.840 -1.502 184 HA3 GLY 26 HA2 GLY 26 4.626 1.946 -2.883 185 H HIS 27 H HIS 27 2.339 1.181 -4.695 186 HA HIS 27 HA HIS 27 1.303 3.925 -5.029 187 HB2 HIS 27 HB3 HIS 27 2.219 2.600 -6.966 188 HB3 HIS 27 HB2 HIS 27 0.858 1.492 -6.781 189 HD2 HIS 27 HD2 HIS 27 -1.592 2.456 -7.776 190 HE1 HIS 27 HE1 HIS 27 -0.176 6.242 -8.992 191 HE2 HIS 27 HE2 HIS 27 -2.155 4.655 -9.056 192 H TYR 28 H TYR 28 0.333 0.970 -3.639 193 HA TYR 28 HA TYR 28 -2.511 1.892 -3.657 194 HB2 TYR 28 HB3 TYR 28 -1.330 -0.829 -4.045 195 HB3 TYR 28 HB2 TYR 28 -2.886 -0.695 -3.225 196 HD1 TYR 28 HD2 TYR 28 -1.058 0.025 -6.365 197 HD2 TYR 28 HD1 TYR 28 -4.876 -0.007 -4.395 198 HE1 TYR 28 HE2 TYR 28 -2.189 0.352 -8.548 199 HE2 TYR 28 HE1 TYR 28 -6.004 0.321 -6.580 200 HH TYR 28 HH TYR 28 -4.744 1.471 -9.145 201 H CYS 29 H CYS 29 -0.150 -0.082 -1.824 202 HA CYS 29 HA CYS 29 -1.673 0.666 0.630 203 HB2 CYS 29 HB3 CYS 29 0.402 -1.511 0.468 204 HB3 CYS 29 HB2 CYS 29 -0.927 -1.333 1.613 205 H LYS 30 H LYS 30 -0.766 2.394 1.597 206 HA LYS 30 HA LYS 30 2.144 2.865 1.405 207 HB2 LYS 30 HB3 LYS 30 0.378 4.595 3.068 208 HB3 LYS 30 HB2 LYS 30 1.685 5.051 1.977 209 HG2 LYS 30 HG3 LYS 30 -1.055 4.061 1.135 210 HG3 LYS 30 HG2 LYS 30 -0.510 5.733 1.070 211 HD2 LYS 30 HD3 LYS 30 0.995 3.536 -0.360 212 HD3 LYS 30 HD2 LYS 30 -0.373 4.351 -1.108 213 HE2 LYS 30 HE3 LYS 30 2.226 5.588 -0.183 214 HE3 LYS 30 HE2 LYS 30 1.572 5.546 -1.819 215 HZ1 LYS 30 HZ1 LYS 30 1.061 7.664 -1.071 216 HZ2 LYS 30 HZ2 LYS 30 0.656 7.135 0.492 217 HZ3 LYS 30 HZ3 LYS 30 -0.383 6.816 -0.814 218 H LYS 31 H LYS 31 -0.308 2.559 3.987 219 HA LYS 31 HA LYS 31 1.569 2.427 6.144 220 HB2 LYS 31 HB3 LYS 31 -1.262 2.260 5.795 221 HB3 LYS 31 HB2 LYS 31 -0.760 0.852 6.725 222 HG2 LYS 31 HG3 LYS 31 -0.867 2.258 8.503 223 HG3 LYS 31 HG2 LYS 31 0.692 2.852 7.929 224 HD2 LYS 31 HD3 LYS 31 -0.456 4.569 6.584 225 HD3 LYS 31 HD2 LYS 31 -2.016 3.974 7.145 226 HE2 LYS 31 HE3 LYS 31 0.158 4.978 8.999 227 HE3 LYS 31 HE2 LYS 31 -1.167 5.981 8.411 228 HZ1 LYS 31 HZ1 LYS 31 -2.460 5.146 9.980 229 HZ2 LYS 31 HZ2 LYS 31 -1.178 4.191 10.556 230 HZ3 LYS 31 HZ3 LYS 31 -2.231 3.578 9.373 231 H ALA 32 H ALA 32 -0.037 -0.074 4.213 232 HA ALA 32 HA ALA 32 1.004 -2.332 5.608 233 HB1 ALA 32 HB1 ALA 32 0.621 -2.567 2.674 234 HB2 ALA 32 HB2 ALA 32 -0.774 -2.001 3.598 235 HB3 ALA 32 HB3 ALA 32 -0.038 -3.550 3.980 236 H CYS 33 H CYS 33 2.503 -0.086 3.469 237 HA CYS 33 HA CYS 33 4.811 -1.938 3.088 238 HB2 CYS 33 HB3 CYS 33 3.501 -0.072 1.349 239 HB3 CYS 33 HB2 CYS 33 5.150 0.470 1.621 240 H GLY 34 H GLY 34 6.957 -0.518 2.972 241 HA2 GLY 34 HA3 GLY 34 7.369 0.529 5.610 242 HA3 GLY 34 HA2 GLY 34 8.531 0.626 4.286 243 H LEU 35 H LEU 35 5.650 1.901 3.224 244 HA LEU 35 HA LEU 35 6.719 4.598 3.242 245 HB2 LEU 35 HB3 LEU 35 3.879 3.758 2.602 246 HB3 LEU 35 HB2 LEU 35 4.706 5.224 2.071 247 HG LEU 35 HG LEU 35 5.219 2.380 1.221 248 HD11 LEU 35 HD11 LEU 35 5.059 3.449 -1.040 249 HD12 LEU 35 HD12 LEU 35 4.630 4.960 -0.239 250 HD13 LEU 35 HD13 LEU 35 3.574 3.557 -0.096 251 HD21 LEU 35 HD21 LEU 35 7.418 3.166 1.628 252 HD22 LEU 35 HD22 LEU 35 7.032 4.784 1.044 253 HD23 LEU 35 HD23 LEU 35 7.154 3.443 -0.093 254 H CYS 36 H CYS 36 4.397 2.803 5.202 255 HA CYS 36 HA CYS 36 4.550 4.877 7.263 256 HB2 CYS 36 HB3 CYS 36 2.433 4.942 5.322 257 HB3 CYS 36 HB2 CYS 36 1.756 4.560 6.903 Start of MODEL 21 1 HA VAL 1 HA VAL 1 -1.641 11.583 4.672 2 HB VAL 1 HB VAL 1 -3.752 12.614 3.720 3 HG11 VAL 1 HG11 VAL 1 -3.790 10.110 2.016 4 HG12 VAL 1 HG12 VAL 1 -3.326 11.693 1.395 5 HG13 VAL 1 HG13 VAL 1 -4.961 11.430 2.003 6 HG21 VAL 1 HG21 VAL 1 -3.701 9.686 4.497 7 HG22 VAL 1 HG22 VAL 1 -5.185 10.635 4.392 8 HG23 VAL 1 HG23 VAL 1 -3.939 11.071 5.565 9 H CYS 2 H CYS 2 -1.701 9.279 4.938 10 HA CYS 2 HA CYS 2 -1.010 7.698 2.499 11 HB2 CYS 2 HB3 CYS 2 0.832 6.669 3.548 12 HB3 CYS 2 HB2 CYS 2 0.990 8.357 4.036 13 H GLU 3 H GLU 3 -2.288 5.913 2.339 14 HA GLU 3 HA GLU 3 -3.103 4.400 4.689 15 HB2 GLU 3 HB3 GLU 3 -5.431 4.803 4.651 16 HB3 GLU 3 HB2 GLU 3 -4.724 6.411 4.507 17 HG2 GLU 3 HG3 GLU 3 -4.958 6.243 2.023 18 HG3 GLU 3 HG2 GLU 3 -5.787 4.699 2.242 19 H ASP 4 H ASP 4 -4.272 2.421 4.051 20 HA ASP 4 HA ASP 4 -3.233 1.370 1.585 21 HB2 ASP 4 HB3 ASP 4 -4.567 -0.648 2.150 22 HB3 ASP 4 HB2 ASP 4 -3.590 -0.088 3.505 23 H LEU 5 H LEU 5 -4.060 1.544 -0.403 24 HA LEU 5 HA LEU 5 -6.624 2.835 -0.860 25 HB2 LEU 5 HB3 LEU 5 -4.657 1.478 -2.730 26 HB3 LEU 5 HB2 LEU 5 -6.086 2.356 -3.274 27 HG LEU 5 HG LEU 5 -3.803 3.508 -1.645 28 HD11 LEU 5 HD11 LEU 5 -2.865 4.082 -3.611 29 HD12 LEU 5 HD12 LEU 5 -4.377 4.799 -4.167 30 HD13 LEU 5 HD13 LEU 5 -4.069 3.082 -4.424 31 HD21 LEU 5 HD21 LEU 5 -6.530 4.470 -2.346 32 HD22 LEU 5 HD22 LEU 5 -5.220 5.638 -2.519 33 HD23 LEU 5 HD23 LEU 5 -5.517 4.872 -0.956 34 H ASN 6 H ASN 6 -5.378 -0.464 -1.052 35 HA ASN 6 HA ASN 6 -8.096 -1.433 -1.793 36 HB2 ASN 6 HB3 ASN 6 -5.320 -2.445 -2.144 37 HB3 ASN 6 HB2 ASN 6 -6.577 -3.656 -1.885 38 HD21 ASN 6 HD21 ASN 6 -4.999 -2.086 -4.343 39 HD22 ASN 6 HD22 ASN 6 -6.216 -2.107 -5.523 40 H ALA 7 H ALA 7 -9.244 -2.784 -0.403 41 HA ALA 7 HA ALA 7 -8.522 -2.761 2.400 42 HB1 ALA 7 HB1 ALA 7 -10.645 -4.374 0.950 43 HB2 ALA 7 HB2 ALA 7 -10.879 -2.782 1.671 44 HB3 ALA 7 HB3 ALA 7 -10.530 -4.171 2.697 45 H HIS 8 H HIS 8 -7.745 -4.801 -0.241 46 HA HIS 8 HA HIS 8 -7.190 -7.159 1.443 47 HB2 HIS 8 HB3 HIS 8 -6.634 -6.621 -1.491 48 HB3 HIS 8 HB2 HIS 8 -6.393 -8.168 -0.680 49 HD2 HIS 8 HD2 HIS 8 -9.377 -7.843 1.030 50 HE1 HIS 8 HE1 HIS 8 -10.950 -8.194 -2.877 51 HE2 HIS 8 HE2 HIS 8 -11.498 -8.350 -0.402 52 H CYS 9 H CYS 9 -5.712 -4.276 1.031 53 HA CYS 9 HA CYS 9 -3.039 -4.724 0.368 54 HB2 CYS 9 HB3 CYS 9 -4.406 -2.888 2.296 55 HB3 CYS 9 HB2 CYS 9 -2.646 -2.970 2.316 56 H GLU 10 H GLU 10 -4.569 -5.222 3.567 57 HA GLU 10 HA GLU 10 -2.199 -6.146 4.872 58 HB2 GLU 10 HB3 GLU 10 -4.354 -5.535 6.031 59 HB3 GLU 10 HB2 GLU 10 -5.044 -7.041 5.426 60 HG2 GLU 10 HG3 GLU 10 -3.212 -8.299 6.561 61 HG3 GLU 10 HG2 GLU 10 -2.624 -6.778 7.234 62 H MET 11 H MET 11 -4.668 -7.759 2.936 63 HA MET 11 HA MET 11 -3.808 -10.444 3.374 64 HB2 MET 11 HB3 MET 11 -5.174 -9.200 0.971 65 HB3 MET 11 HB2 MET 11 -5.020 -10.933 1.257 66 HG2 MET 11 HG3 MET 11 -6.192 -10.586 3.467 67 HG3 MET 11 HG2 MET 11 -6.501 -8.923 2.970 68 HE1 MET 11 HE1 MET 11 -8.186 -12.840 1.812 69 HE2 MET 11 HE2 MET 11 -6.534 -12.442 2.271 70 HE3 MET 11 HE3 MET 11 -6.986 -12.461 0.570 71 H TRP 12 H TRP 12 -2.690 -7.925 1.185 72 HA TRP 12 HA TRP 12 -0.938 -9.800 -0.255 73 HB2 TRP 12 HB3 TRP 12 -1.106 -6.784 -0.446 74 HB3 TRP 12 HB2 TRP 12 -0.338 -7.865 -1.600 75 HD1 TRP 12 HD1 TRP 12 -2.862 -10.037 -1.211 76 HE1 TRP 12 HE1 TRP 12 -4.977 -9.560 -2.598 77 HE3 TRP 12 HE3 TRP 12 -2.137 -5.093 -2.256 78 HZ2 TRP 12 HZ2 TRP 12 -6.203 -7.374 -3.973 79 HZ3 TRP 12 HZ3 TRP 12 -3.794 -3.837 -3.603 80 HH2 TRP 12 HH2 TRP 12 -5.827 -4.970 -4.463 81 H GLN 13 H GLN 13 -0.562 -7.098 2.039 82 HA GLN 13 HA GLN 13 2.318 -7.178 2.034 83 HB2 GLN 13 HB3 GLN 13 2.210 -5.597 3.744 84 HB3 GLN 13 HB2 GLN 13 0.669 -5.352 2.923 85 HG2 GLN 13 HG3 GLN 13 -0.012 -5.499 5.155 86 HG3 GLN 13 HG2 GLN 13 -0.208 -7.163 4.614 87 HE21 GLN 13 HE21 GLN 13 0.289 -8.235 6.596 88 HE22 GLN 13 HE22 GLN 13 1.798 -8.112 7.364 89 H GLN 14 H GLN 14 -0.165 -8.836 3.906 90 HA GLN 14 HA GLN 14 1.598 -9.932 5.880 91 HB2 GLN 14 HB3 GLN 14 -0.211 -11.324 6.503 92 HB3 GLN 14 HB2 GLN 14 -0.976 -9.860 5.884 93 HG2 GLN 14 HG3 GLN 14 -1.114 -11.026 3.632 94 HG3 GLN 14 HG2 GLN 14 -0.640 -12.509 4.461 95 HE21 GLN 14 HE21 GLN 14 -2.747 -9.901 5.728 96 HE22 GLN 14 HE22 GLN 14 -4.120 -10.882 5.908 97 H LEU 15 H LEU 15 0.866 -10.767 2.585 98 HA LEU 15 HA LEU 15 2.248 -13.365 2.789 99 HB2 LEU 15 HB3 LEU 15 1.042 -11.891 0.431 100 HB3 LEU 15 HB2 LEU 15 1.731 -13.513 0.351 101 HG LEU 15 HG LEU 15 -0.604 -12.669 2.097 102 HD11 LEU 15 HD11 LEU 15 -1.865 -13.066 0.277 103 HD12 LEU 15 HD12 LEU 15 -1.281 -14.729 0.276 104 HD13 LEU 15 HD13 LEU 15 -0.432 -13.496 -0.658 105 HD21 LEU 15 HD21 LEU 15 1.012 -15.183 1.818 106 HD22 LEU 15 HD22 LEU 15 -0.711 -15.315 2.172 107 HD23 LEU 15 HD23 LEU 15 0.351 -14.439 3.273 108 H GLY 16 H GLY 16 3.087 -10.143 2.464 109 HA2 GLY 16 HA3 GLY 16 5.372 -9.409 2.350 110 HA3 GLY 16 HA2 GLY 16 5.792 -10.911 1.532 111 H HIS 17 H HIS 17 2.969 -9.464 0.238 112 HA HIS 17 HA HIS 17 4.036 -9.136 -2.343 113 HB2 HIS 17 HB3 HIS 17 1.743 -7.708 -0.983 114 HB3 HIS 17 HB2 HIS 17 2.128 -7.484 -2.691 115 HD2 HIS 17 HD2 HIS 17 2.353 -11.040 -1.016 116 HE1 HIS 17 HE1 HIS 17 -0.813 -11.092 -3.809 117 HE2 HIS 17 HE2 HIS 17 0.572 -12.514 -2.228 118 H CYS 18 H CYS 18 4.199 -6.985 0.425 119 HA CYS 18 HA CYS 18 5.150 -4.688 -1.098 120 HB2 CYS 18 HB3 CYS 18 4.710 -5.378 1.744 121 HB3 CYS 18 HB2 CYS 18 6.078 -4.305 1.462 122 H GLN 19 H GLN 19 6.580 -7.300 0.801 123 HA GLN 19 HA GLN 19 9.306 -6.411 0.497 124 HB2 GLN 19 HB3 GLN 19 8.446 -8.020 2.256 125 HB3 GLN 19 HB2 GLN 19 8.334 -9.240 0.989 126 HG2 GLN 19 HG3 GLN 19 10.768 -8.874 0.501 127 HG3 GLN 19 HG2 GLN 19 10.839 -7.806 1.906 128 HE21 GLN 19 HE21 GLN 19 8.567 -10.041 2.764 129 HE22 GLN 19 HE22 GLN 19 9.560 -11.190 3.528 130 H TYR 20 H TYR 20 7.186 -8.599 -1.293 131 HA TYR 20 HA TYR 20 9.339 -9.328 -3.161 132 HB2 TYR 20 HB3 TYR 20 6.385 -10.001 -3.104 133 HB3 TYR 20 HB2 TYR 20 7.538 -10.650 -4.272 134 HD1 TYR 20 HD2 TYR 20 9.735 -11.704 -3.198 135 HD2 TYR 20 HD1 TYR 20 5.998 -11.205 -1.143 136 HE1 TYR 20 HE2 TYR 20 10.394 -13.458 -1.574 137 HE2 TYR 20 HE1 TYR 20 6.656 -12.957 0.484 138 HH TYR 20 HH TYR 20 8.458 -14.137 1.282 139 H SER 21 H SER 21 6.215 -7.558 -3.377 140 HA SER 21 HA SER 21 7.343 -6.210 -5.798 141 HB2 SER 21 HB3 SER 21 5.453 -8.047 -6.077 142 HB3 SER 21 HB2 SER 21 4.402 -6.717 -5.600 143 HG SER 21 HG SER 21 4.770 -6.865 -7.885 144 HA PRO 22 HA PRO 22 5.737 -3.121 -2.667 145 HB2 PRO 22 HB3 PRO 22 8.018 -1.584 -2.642 146 HB3 PRO 22 HB2 PRO 22 7.713 -2.914 -1.513 147 HG2 PRO 22 HG3 PRO 22 9.433 -2.839 -3.927 148 HG3 PRO 22 HG2 PRO 22 9.655 -3.716 -2.405 149 HD2 PRO 22 HD3 PRO 22 8.781 -4.894 -4.740 150 HD3 PRO 22 HD2 PRO 22 8.426 -5.527 -3.119 151 H LYS 23 H LYS 23 7.100 -3.104 -5.819 152 HA LYS 23 HA LYS 23 6.951 -0.369 -6.538 153 HB2 LYS 23 HB3 LYS 23 6.413 -2.831 -8.227 154 HB3 LYS 23 HB2 LYS 23 6.665 -1.206 -8.867 155 HG2 LYS 23 HG3 LYS 23 8.895 -1.153 -7.757 156 HG3 LYS 23 HG2 LYS 23 8.642 -2.816 -7.228 157 HD2 LYS 23 HD3 LYS 23 8.367 -3.489 -9.621 158 HD3 LYS 23 HD2 LYS 23 8.767 -1.836 -10.098 159 HE2 LYS 23 HE3 LYS 23 10.674 -3.624 -10.030 160 HE3 LYS 23 HE2 LYS 23 10.984 -2.023 -9.357 161 HZ1 LYS 23 HZ1 LYS 23 11.635 -3.981 -7.934 162 HZ2 LYS 23 HZ2 LYS 23 9.973 -4.270 -7.713 163 HZ3 LYS 23 HZ3 LYS 23 10.664 -2.809 -7.185 164 H TYR 24 H TYR 24 4.386 -2.794 -6.237 165 HA TYR 24 HA TYR 24 2.455 -0.747 -7.232 166 HB2 TYR 24 HB3 TYR 24 1.944 -3.687 -6.714 167 HB3 TYR 24 HB2 TYR 24 0.911 -2.561 -7.596 168 HD1 TYR 24 HD2 TYR 24 1.580 -1.715 -9.829 169 HD2 TYR 24 HD1 TYR 24 3.938 -4.618 -7.717 170 HE1 TYR 24 HE2 TYR 24 2.810 -2.238 -11.918 171 HE2 TYR 24 HE1 TYR 24 5.168 -5.140 -9.808 172 HH TYR 24 HH TYR 24 4.162 -3.852 -12.902 173 H MET 25 H MET 25 3.484 -2.408 -4.342 174 HA MET 25 HA MET 25 1.000 -1.969 -2.885 175 HB2 MET 25 HB3 MET 25 3.798 -2.404 -1.799 176 HB3 MET 25 HB2 MET 25 2.299 -2.511 -0.880 177 HG2 MET 25 HG3 MET 25 1.682 -4.240 -2.824 178 HG3 MET 25 HG2 MET 25 3.434 -4.400 -2.886 179 HE1 MET 25 HE1 MET 25 0.465 -5.331 0.367 180 HE2 MET 25 HE2 MET 25 0.449 -4.024 -0.817 181 HE3 MET 25 HE3 MET 25 1.290 -3.805 0.719 182 H GLY 26 H GLY 26 4.121 -0.297 -3.141 183 HA2 GLY 26 HA3 GLY 26 3.588 1.744 -1.244 184 HA3 GLY 26 HA2 GLY 26 4.701 1.909 -2.604 185 H HIS 27 H HIS 27 2.471 1.236 -4.493 186 HA HIS 27 HA HIS 27 1.429 3.981 -4.728 187 HB2 HIS 27 HB3 HIS 27 2.370 2.770 -6.706 188 HB3 HIS 27 HB2 HIS 27 1.044 1.614 -6.579 189 HD2 HIS 27 HD2 HIS 27 -1.374 2.489 -7.669 190 HE1 HIS 27 HE1 HIS 27 -0.194 6.458 -8.490 191 HE2 HIS 27 HE2 HIS 27 -2.040 4.745 -8.791 192 H TYR 28 H TYR 28 0.416 0.942 -3.539 193 HA TYR 28 HA TYR 28 -2.423 1.877 -3.565 194 HB2 TYR 28 HB3 TYR 28 -1.218 -0.828 -3.974 195 HB3 TYR 28 HB2 TYR 28 -2.789 -0.718 -3.179 196 HD1 TYR 28 HD2 TYR 28 -0.910 0.127 -6.271 197 HD2 TYR 28 HD1 TYR 28 -4.765 -0.116 -4.385 198 HE1 TYR 28 HE2 TYR 28 -2.010 0.439 -8.472 199 HE2 TYR 28 HE1 TYR 28 -5.862 0.194 -6.587 200 HH TYR 28 HH TYR 28 -5.072 -0.308 -9.117 201 H CYS 29 H CYS 29 -0.151 -0.202 -1.743 202 HA CYS 29 HA CYS 29 -1.676 0.511 0.712 203 HB2 CYS 29 HB3 CYS 29 0.469 -1.593 0.539 204 HB3 CYS 29 HB2 CYS 29 -0.875 -1.477 1.672 205 H LYS 30 H LYS 30 -0.805 2.271 1.710 206 HA LYS 30 HA LYS 30 2.095 2.782 1.502 207 HB2 LYS 30 HB3 LYS 30 0.312 4.461 3.209 208 HB3 LYS 30 HB2 LYS 30 1.641 4.950 2.161 209 HG2 LYS 30 HG3 LYS 30 -1.086 3.997 1.227 210 HG3 LYS 30 HG2 LYS 30 -0.528 5.667 1.222 211 HD2 LYS 30 HD3 LYS 30 1.086 3.573 -0.209 212 HD3 LYS 30 HD2 LYS 30 -0.357 4.228 -0.973 213 HE2 LYS 30 HE3 LYS 30 1.978 5.857 0.067 214 HE3 LYS 30 HE2 LYS 30 1.635 5.519 -1.629 215 HZ1 LYS 30 HZ1 LYS 30 0.255 7.307 0.225 216 HZ2 LYS 30 HZ2 LYS 30 -0.690 6.505 -0.937 217 HZ3 LYS 30 HZ3 LYS 30 0.591 7.505 -1.425 218 H LYS 31 H LYS 31 -0.298 2.450 4.144 219 HA LYS 31 HA LYS 31 1.624 2.279 6.255 220 HB2 LYS 31 HB3 LYS 31 -1.189 1.211 5.952 221 HB3 LYS 31 HB2 LYS 31 -0.279 1.092 7.453 222 HG2 LYS 31 HG3 LYS 31 -0.305 3.378 7.822 223 HG3 LYS 31 HG2 LYS 31 -0.450 3.757 6.104 224 HD2 LYS 31 HD3 LYS 31 -2.606 4.216 6.790 225 HD3 LYS 31 HD2 LYS 31 -2.790 2.511 6.394 226 HE2 LYS 31 HE3 LYS 31 -2.207 3.628 9.148 227 HE3 LYS 31 HE2 LYS 31 -3.764 3.007 8.600 228 HZ1 LYS 31 HZ1 LYS 31 -2.986 1.103 9.467 229 HZ2 LYS 31 HZ2 LYS 31 -1.358 1.577 9.356 230 HZ3 LYS 31 HZ3 LYS 31 -2.162 0.969 7.988 231 H ALA 32 H ALA 32 -0.064 -0.226 4.406 232 HA ALA 32 HA ALA 32 1.047 -2.484 5.678 233 HB1 ALA 32 HB1 ALA 32 -0.726 -2.120 3.673 234 HB2 ALA 32 HB2 ALA 32 0.029 -3.668 4.015 235 HB3 ALA 32 HB3 ALA 32 0.676 -2.643 2.739 236 H CYS 33 H CYS 33 2.495 -0.191 3.522 237 HA CYS 33 HA CYS 33 4.852 -1.989 3.176 238 HB2 CYS 33 HB3 CYS 33 3.511 -0.191 1.410 239 HB3 CYS 33 HB2 CYS 33 5.122 0.449 1.718 240 H GLY 34 H GLY 34 6.915 -0.314 2.947 241 HA2 GLY 34 HA3 GLY 34 7.240 0.697 5.651 242 HA3 GLY 34 HA2 GLY 34 8.449 0.773 4.374 243 H LEU 35 H LEU 35 5.469 2.009 3.331 244 HA LEU 35 HA LEU 35 6.572 4.701 3.200 245 HB2 LEU 35 HB3 LEU 35 3.719 3.837 2.666 246 HB3 LEU 35 HB2 LEU 35 4.513 5.295 2.077 247 HG LEU 35 HG LEU 35 5.004 2.436 1.264 248 HD11 LEU 35 HD11 LEU 35 4.847 3.547 -1.012 249 HD12 LEU 35 HD12 LEU 35 4.353 5.015 -0.167 250 HD13 LEU 35 HD13 LEU 35 3.363 3.562 -0.059 251 HD21 LEU 35 HD21 LEU 35 6.833 4.828 0.977 252 HD22 LEU 35 HD22 LEU 35 6.934 3.427 -0.092 253 HD23 LEU 35 HD23 LEU 35 7.221 3.239 1.636 254 H CYS 36 H CYS 36 4.217 3.016 5.215 255 HA CYS 36 HA CYS 36 4.322 5.321 7.086 256 HB2 CYS 36 HB3 CYS 36 1.973 4.409 5.577 257 HB3 CYS 36 HB2 CYS 36 1.700 4.479 7.319 Start of MODEL 22 1 HA VAL 1 HA VAL 1 -0.674 11.517 4.702 2 HB VAL 1 HB VAL 1 -2.076 10.675 6.406 3 HG11 VAL 1 HG11 VAL 1 -4.054 12.568 5.193 4 HG12 VAL 1 HG12 VAL 1 -2.440 13.172 5.568 5 HG13 VAL 1 HG13 VAL 1 -3.445 12.493 6.848 6 HG21 VAL 1 HG21 VAL 1 -3.370 9.051 5.240 7 HG22 VAL 1 HG22 VAL 1 -4.069 10.264 4.170 8 HG23 VAL 1 HG23 VAL 1 -4.546 10.203 5.867 9 H CYS 2 H CYS 2 -0.732 9.011 5.507 10 HA CYS 2 HA CYS 2 -0.667 7.438 2.974 11 HB2 CYS 2 HB3 CYS 2 0.492 5.996 5.126 12 HB3 CYS 2 HB2 CYS 2 1.320 6.717 3.742 13 H GLU 3 H GLU 3 -2.042 5.726 2.725 14 HA GLU 3 HA GLU 3 -3.131 4.295 5.011 15 HB2 GLU 3 HB3 GLU 3 -5.395 4.938 4.875 16 HB3 GLU 3 HB2 GLU 3 -4.526 6.466 4.755 17 HG2 GLU 3 HG3 GLU 3 -4.637 6.231 2.242 18 HG3 GLU 3 HG2 GLU 3 -5.709 4.852 2.482 19 H ASP 4 H ASP 4 -4.292 2.391 4.346 20 HA ASP 4 HA ASP 4 -3.327 1.252 1.913 21 HB2 ASP 4 HB3 ASP 4 -4.878 -0.605 2.410 22 HB3 ASP 4 HB2 ASP 4 -3.963 -0.126 3.842 23 H LEU 5 H LEU 5 -4.278 1.040 -0.102 24 HA LEU 5 HA LEU 5 -6.724 2.689 -0.538 25 HB2 LEU 5 HB3 LEU 5 -4.657 1.660 -2.508 26 HB3 LEU 5 HB2 LEU 5 -6.025 2.696 -2.913 27 HG LEU 5 HG LEU 5 -3.811 3.415 -0.965 28 HD11 LEU 5 HD11 LEU 5 -2.646 4.007 -2.801 29 HD12 LEU 5 HD12 LEU 5 -3.906 5.186 -3.162 30 HD13 LEU 5 HD13 LEU 5 -3.994 3.564 -3.848 31 HD21 LEU 5 HD21 LEU 5 -6.411 4.633 -1.729 32 HD22 LEU 5 HD22 LEU 5 -5.041 5.739 -1.627 33 HD23 LEU 5 HD23 LEU 5 -5.502 4.773 -0.224 34 H ASN 6 H ASN 6 -5.405 -0.539 -0.814 35 HA ASN 6 HA ASN 6 -7.935 -1.469 -2.088 36 HB2 ASN 6 HB3 ASN 6 -5.647 -2.123 -3.054 37 HB3 ASN 6 HB2 ASN 6 -5.453 -3.129 -1.618 38 HD21 ASN 6 HD21 ASN 6 -7.570 -2.629 -4.467 39 HD22 ASN 6 HD22 ASN 6 -8.208 -4.201 -4.465 40 H ALA 7 H ALA 7 -9.217 -3.021 -1.022 41 HA ALA 7 HA ALA 7 -9.051 -3.049 1.863 42 HB1 ALA 7 HB1 ALA 7 -11.243 -3.357 1.182 43 HB2 ALA 7 HB2 ALA 7 -10.771 -5.042 1.414 44 HB3 ALA 7 HB3 ALA 7 -10.782 -4.343 -0.205 45 H HIS 8 H HIS 8 -7.627 -4.932 -0.638 46 HA HIS 8 HA HIS 8 -7.066 -7.208 1.177 47 HB2 HIS 8 HB3 HIS 8 -6.309 -6.767 -1.729 48 HB3 HIS 8 HB2 HIS 8 -6.072 -8.258 -0.821 49 HD2 HIS 8 HD2 HIS 8 -9.309 -7.575 0.545 50 HE1 HIS 8 HE1 HIS 8 -10.343 -8.919 -3.323 51 HE2 HIS 8 HE2 HIS 8 -11.224 -8.460 -0.990 52 H CYS 9 H CYS 9 -5.818 -4.276 1.077 53 HA CYS 9 HA CYS 9 -3.080 -4.487 0.452 54 HB2 CYS 9 HB3 CYS 9 -4.684 -2.796 2.306 55 HB3 CYS 9 HB2 CYS 9 -2.935 -2.805 2.528 56 H GLU 10 H GLU 10 -4.675 -5.177 3.591 57 HA GLU 10 HA GLU 10 -2.280 -5.979 4.937 58 HB2 GLU 10 HB3 GLU 10 -4.502 -5.518 6.051 59 HB3 GLU 10 HB2 GLU 10 -5.068 -7.066 5.421 60 HG2 GLU 10 HG3 GLU 10 -3.199 -8.208 6.594 61 HG3 GLU 10 HG2 GLU 10 -2.704 -6.658 7.278 62 H MET 11 H MET 11 -4.641 -7.766 2.997 63 HA MET 11 HA MET 11 -3.561 -10.372 3.409 64 HB2 MET 11 HB3 MET 11 -4.985 -9.219 0.992 65 HB3 MET 11 HB2 MET 11 -4.715 -10.938 1.283 66 HG2 MET 11 HG3 MET 11 -5.967 -10.697 3.452 67 HG3 MET 11 HG2 MET 11 -6.356 -9.043 2.985 68 HE1 MET 11 HE1 MET 11 -6.170 -12.541 2.185 69 HE2 MET 11 HE2 MET 11 -6.554 -12.508 0.466 70 HE3 MET 11 HE3 MET 11 -7.777 -13.019 1.625 71 H TRP 12 H TRP 12 -2.804 -7.838 1.053 72 HA TRP 12 HA TRP 12 -0.886 -9.466 -0.382 73 HB2 TRP 12 HB3 TRP 12 -1.242 -6.463 -0.310 74 HB3 TRP 12 HB2 TRP 12 -0.273 -7.345 -1.485 75 HD1 TRP 12 HD1 TRP 12 -2.712 -9.735 -1.416 76 HE1 TRP 12 HE1 TRP 12 -4.705 -9.294 -2.989 77 HE3 TRP 12 HE3 TRP 12 -2.122 -4.725 -2.204 78 HZ2 TRP 12 HZ2 TRP 12 -5.889 -7.103 -4.401 79 HZ3 TRP 12 HZ3 TRP 12 -3.694 -3.487 -3.662 80 HH2 TRP 12 HH2 TRP 12 -5.575 -4.670 -4.762 81 H GLN 13 H GLN 13 -0.599 -6.947 2.120 82 HA GLN 13 HA GLN 13 2.279 -7.003 2.122 83 HB2 GLN 13 HB3 GLN 13 2.146 -5.478 3.856 84 HB3 GLN 13 HB2 GLN 13 0.559 -5.265 3.120 85 HG2 GLN 13 HG3 GLN 13 0.001 -5.517 5.370 86 HG3 GLN 13 HG2 GLN 13 -0.158 -7.166 4.782 87 HE21 GLN 13 HE21 GLN 13 0.602 -8.451 6.488 88 HE22 GLN 13 HE22 GLN 13 2.096 -8.231 7.265 89 H GLN 14 H GLN 14 -0.204 -8.806 3.896 90 HA GLN 14 HA GLN 14 1.656 -10.048 5.713 91 HB2 GLN 14 HB3 GLN 14 -0.136 -11.309 6.478 92 HB3 GLN 14 HB2 GLN 14 -0.972 -9.919 5.792 93 HG2 GLN 14 HG3 GLN 14 -1.137 -11.268 3.630 94 HG3 GLN 14 HG2 GLN 14 -0.629 -12.665 4.576 95 HE21 GLN 14 HE21 GLN 14 -2.750 -9.955 5.604 96 HE22 GLN 14 HE22 GLN 14 -4.101 -10.930 5.931 97 H LEU 15 H LEU 15 0.598 -10.721 2.436 98 HA LEU 15 HA LEU 15 1.890 -13.354 2.365 99 HB2 LEU 15 HB3 LEU 15 0.781 -11.543 0.210 100 HB3 LEU 15 HB2 LEU 15 1.449 -13.145 -0.109 101 HG LEU 15 HG LEU 15 -0.814 -12.615 1.834 102 HD11 LEU 15 HD11 LEU 15 -2.271 -13.553 0.064 103 HD12 LEU 15 HD12 LEU 15 -0.889 -13.601 -1.032 104 HD13 LEU 15 HD13 LEU 15 -1.506 -12.052 -0.454 105 HD21 LEU 15 HD21 LEU 15 -0.184 -14.702 2.476 106 HD22 LEU 15 HD22 LEU 15 0.786 -14.954 1.026 107 HD23 LEU 15 HD23 LEU 15 -0.956 -15.224 0.978 108 H GLY 16 H GLY 16 3.002 -10.191 2.381 109 HA2 GLY 16 HA3 GLY 16 5.318 -9.593 2.288 110 HA3 GLY 16 HA2 GLY 16 5.641 -11.076 1.393 111 H HIS 17 H HIS 17 2.964 -9.177 0.257 112 HA HIS 17 HA HIS 17 4.077 -8.865 -2.340 113 HB2 HIS 17 HB3 HIS 17 1.838 -7.440 -0.907 114 HB3 HIS 17 HB2 HIS 17 2.309 -6.990 -2.547 115 HD2 HIS 17 HD2 HIS 17 2.101 -10.742 -1.281 116 HE1 HIS 17 HE1 HIS 17 -0.669 -10.207 -4.424 117 HE2 HIS 17 HE2 HIS 17 0.377 -11.907 -2.858 118 H CYS 18 H CYS 18 4.350 -6.862 0.540 119 HA CYS 18 HA CYS 18 5.500 -4.601 -0.909 120 HB2 CYS 18 HB3 CYS 18 5.159 -5.345 1.982 121 HB3 CYS 18 HB2 CYS 18 6.295 -4.067 1.552 122 H GLN 19 H GLN 19 6.664 -7.333 0.982 123 HA GLN 19 HA GLN 19 9.462 -6.670 0.790 124 HB2 GLN 19 HB3 GLN 19 8.442 -8.268 2.459 125 HB3 GLN 19 HB2 GLN 19 8.203 -9.408 1.136 126 HG2 GLN 19 HG3 GLN 19 10.612 -9.436 0.688 127 HG3 GLN 19 HG2 GLN 19 10.878 -8.252 1.970 128 HE21 GLN 19 HE21 GLN 19 12.200 -10.668 2.268 129 HE22 GLN 19 HE22 GLN 19 11.463 -11.603 3.476 130 H TYR 20 H TYR 20 7.164 -8.418 -1.199 131 HA TYR 20 HA TYR 20 9.322 -9.194 -3.082 132 HB2 TYR 20 HB3 TYR 20 6.397 -9.982 -2.981 133 HB3 TYR 20 HB2 TYR 20 7.592 -10.631 -4.104 134 HD1 TYR 20 HD1 TYR 20 9.913 -11.301 -2.765 135 HD2 TYR 20 HD2 TYR 20 5.921 -11.373 -1.171 136 HE1 TYR 20 HE1 TYR 20 10.626 -12.943 -1.054 137 HE2 TYR 20 HE2 TYR 20 6.638 -13.018 0.542 138 HH TYR 20 HH TYR 20 8.868 -13.638 1.671 139 H SER 21 H SER 21 6.135 -7.543 -3.134 140 HA SER 21 HA SER 21 7.066 -6.210 -5.650 141 HB2 SER 21 HB3 SER 21 4.887 -7.919 -5.356 142 HB3 SER 21 HB2 SER 21 4.172 -6.310 -5.344 143 HG SER 21 HG SER 21 5.971 -6.220 -7.205 144 HA PRO 22 HA PRO 22 6.034 -3.012 -2.392 145 HB2 PRO 22 HB3 PRO 22 8.394 -1.618 -2.720 146 HB3 PRO 22 HB2 PRO 22 8.150 -2.885 -1.504 147 HG2 PRO 22 HG3 PRO 22 9.564 -3.001 -4.100 148 HG3 PRO 22 HG2 PRO 22 9.902 -3.854 -2.588 149 HD2 PRO 22 HD3 PRO 22 8.687 -5.017 -4.772 150 HD3 PRO 22 HD2 PRO 22 8.483 -5.591 -3.102 151 H LYS 23 H LYS 23 7.263 -3.010 -5.648 152 HA LYS 23 HA LYS 23 6.912 -0.269 -6.319 153 HB2 LYS 23 HB3 LYS 23 6.665 -2.739 -8.059 154 HB3 LYS 23 HB2 LYS 23 6.806 -1.088 -8.662 155 HG2 LYS 23 HG3 LYS 23 8.972 -0.866 -7.446 156 HG3 LYS 23 HG2 LYS 23 8.847 -2.561 -6.970 157 HD2 LYS 23 HD3 LYS 23 8.714 -3.163 -9.411 158 HD3 LYS 23 HD2 LYS 23 9.043 -1.473 -9.792 159 HE2 LYS 23 HE3 LYS 23 11.196 -2.356 -9.835 160 HE3 LYS 23 HE2 LYS 23 11.089 -1.816 -8.159 161 HZ1 LYS 23 HZ1 LYS 23 10.444 -4.563 -9.077 162 HZ2 LYS 23 HZ2 LYS 23 10.520 -4.016 -7.470 163 HZ3 LYS 23 HZ3 LYS 23 11.934 -4.108 -8.407 164 H TYR 24 H TYR 24 4.562 -2.933 -6.154 165 HA TYR 24 HA TYR 24 2.496 -1.070 -7.237 166 HB2 TYR 24 HB3 TYR 24 2.176 -4.008 -6.591 167 HB3 TYR 24 HB2 TYR 24 1.127 -3.005 -7.593 168 HD1 TYR 24 HD1 TYR 24 4.357 -4.761 -7.407 169 HD2 TYR 24 HD2 TYR 24 1.777 -2.352 -9.847 170 HE1 TYR 24 HE1 TYR 24 5.718 -5.326 -9.403 171 HE2 TYR 24 HE2 TYR 24 3.138 -2.909 -11.843 172 HH TYR 24 HH TYR 24 6.199 -4.357 -11.634 173 H MET 25 H MET 25 3.576 -2.573 -4.292 174 HA MET 25 HA MET 25 1.028 -2.258 -2.896 175 HB2 MET 25 HB3 MET 25 3.863 -2.629 -1.878 176 HB3 MET 25 HB2 MET 25 2.433 -2.610 -0.849 177 HG2 MET 25 HG3 MET 25 2.834 -4.519 -3.170 178 HG3 MET 25 HG2 MET 25 3.160 -4.926 -1.486 179 HE1 MET 25 HE1 MET 25 1.733 -4.298 0.268 180 HE2 MET 25 HE2 MET 25 0.739 -5.747 0.256 181 HE3 MET 25 HE3 MET 25 -0.028 -4.161 0.273 182 H GLY 26 H GLY 26 4.009 -0.391 -3.262 183 HA2 GLY 26 HA3 GLY 26 3.381 1.673 -1.394 184 HA3 GLY 26 HA2 GLY 26 4.493 1.843 -2.754 185 H HIS 27 H HIS 27 2.270 1.013 -4.622 186 HA HIS 27 HA HIS 27 1.189 3.722 -4.992 187 HB2 HIS 27 HB3 HIS 27 2.053 2.363 -6.910 188 HB3 HIS 27 HB2 HIS 27 0.721 1.234 -6.656 189 HD2 HIS 27 HD2 HIS 27 -1.910 2.415 -7.122 190 HE1 HIS 27 HE1 HIS 27 -0.392 5.716 -9.270 191 HE2 HIS 27 HE2 HIS 27 -2.495 4.430 -8.669 192 H TYR 28 H TYR 28 0.227 0.889 -3.410 193 HA TYR 28 HA TYR 28 -2.601 1.843 -3.432 194 HB2 TYR 28 HB3 TYR 28 -1.498 -0.921 -3.788 195 HB3 TYR 28 HB2 TYR 28 -3.085 -0.701 -3.042 196 HD1 TYR 28 HD1 TYR 28 -4.942 0.283 -4.287 197 HD2 TYR 28 HD2 TYR 28 -1.106 -0.316 -6.120 198 HE1 TYR 28 HE1 TYR 28 -5.951 0.671 -6.515 199 HE2 TYR 28 HE2 TYR 28 -2.113 0.065 -8.354 200 HH TYR 28 HH TYR 28 -4.601 1.550 -9.014 201 H CYS 29 H CYS 29 -0.198 -0.099 -1.628 202 HA CYS 29 HA CYS 29 -1.698 0.628 0.847 203 HB2 CYS 29 HB3 CYS 29 0.414 -1.512 0.669 204 HB3 CYS 29 HB2 CYS 29 -0.901 -1.352 1.834 205 H LYS 30 H LYS 30 -0.775 2.376 1.820 206 HA LYS 30 HA LYS 30 2.108 2.882 1.471 207 HB2 LYS 30 HB3 LYS 30 0.418 4.561 3.270 208 HB3 LYS 30 HB2 LYS 30 1.672 5.054 2.137 209 HG2 LYS 30 HG3 LYS 30 -1.127 4.127 1.437 210 HG3 LYS 30 HG2 LYS 30 -0.499 5.765 1.285 211 HD2 LYS 30 HD3 LYS 30 0.825 3.469 -0.159 212 HD3 LYS 30 HD2 LYS 30 -0.575 4.287 -0.844 213 HE2 LYS 30 HE3 LYS 30 2.015 5.627 -0.015 214 HE3 LYS 30 HE2 LYS 30 1.509 5.300 -1.671 215 HZ1 LYS 30 HZ1 LYS 30 0.333 7.181 0.274 216 HZ2 LYS 30 HZ2 LYS 30 -0.566 6.615 -1.052 217 HZ3 LYS 30 HZ3 LYS 30 0.870 7.486 -1.305 218 H LYS 31 H LYS 31 -0.159 2.561 4.205 219 HA LYS 31 HA LYS 31 1.853 2.389 6.224 220 HB2 LYS 31 HB3 LYS 31 -1.019 1.479 6.074 221 HB3 LYS 31 HB2 LYS 31 -0.046 1.268 7.530 222 HG2 LYS 31 HG3 LYS 31 0.154 3.562 7.895 223 HG3 LYS 31 HG2 LYS 31 -0.145 3.958 6.205 224 HD2 LYS 31 HD3 LYS 31 -2.230 4.475 6.926 225 HD3 LYS 31 HD2 LYS 31 -2.499 2.735 6.893 226 HE2 LYS 31 HE3 LYS 31 -3.169 3.707 9.063 227 HE3 LYS 31 HE2 LYS 31 -1.825 2.580 9.257 228 HZ1 LYS 31 HZ1 LYS 31 -0.298 4.365 9.398 229 HZ2 LYS 31 HZ2 LYS 31 -1.576 4.741 10.451 230 HZ3 LYS 31 HZ3 LYS 31 -1.467 5.505 8.939 231 H ALA 32 H ALA 32 0.000 -0.125 4.526 232 HA ALA 32 HA ALA 32 1.178 -2.358 5.805 233 HB1 ALA 32 HB1 ALA 32 0.596 -2.699 2.931 234 HB2 ALA 32 HB2 ALA 32 -0.728 -2.014 3.875 235 HB3 ALA 32 HB3 ALA 32 -0.044 -3.570 4.325 236 H CYS 33 H CYS 33 2.464 -0.150 3.471 237 HA CYS 33 HA CYS 33 4.783 -1.973 3.000 238 HB2 CYS 33 HB3 CYS 33 3.311 -0.225 1.284 239 HB3 CYS 33 HB2 CYS 33 4.943 0.409 1.436 240 H GLY 34 H GLY 34 6.814 -0.325 2.534 241 HA2 GLY 34 HA3 GLY 34 7.356 0.817 5.159 242 HA3 GLY 34 HA2 GLY 34 8.472 0.784 3.794 243 H LEU 35 H LEU 35 5.226 2.125 3.405 244 HA LEU 35 HA LEU 35 6.535 4.747 2.894 245 HB2 LEU 35 HB3 LEU 35 3.646 3.971 2.441 246 HB3 LEU 35 HB2 LEU 35 4.489 5.364 1.771 247 HG LEU 35 HG LEU 35 4.857 2.453 1.089 248 HD11 LEU 35 HD11 LEU 35 3.221 3.511 -0.271 249 HD12 LEU 35 HD12 LEU 35 4.691 3.493 -1.243 250 HD13 LEU 35 HD13 LEU 35 4.189 4.973 -0.430 251 HD21 LEU 35 HD21 LEU 35 6.758 3.369 -0.394 252 HD22 LEU 35 HD22 LEU 35 7.106 3.160 1.322 253 HD23 LEU 35 HD23 LEU 35 6.752 4.766 0.679 254 H CYS 36 H CYS 36 4.410 3.127 5.123 255 HA CYS 36 HA CYS 36 4.631 5.329 7.007 256 HB2 CYS 36 HB3 CYS 36 2.470 5.351 5.149 257 HB3 CYS 36 HB2 CYS 36 1.806 5.002 6.745 Start of MODEL 23 1 HA VAL 1 HA VAL 1 -1.349 10.880 5.073 2 HB VAL 1 HB VAL 1 -2.375 11.873 2.429 3 HG11 VAL 1 HG11 VAL 1 -4.600 10.767 3.324 4 HG12 VAL 1 HG12 VAL 1 -3.488 9.655 4.118 5 HG13 VAL 1 HG13 VAL 1 -3.469 9.817 2.362 6 HG21 VAL 1 HG21 VAL 1 -3.669 13.276 3.742 7 HG22 VAL 1 HG22 VAL 1 -2.285 13.062 4.811 8 HG23 VAL 1 HG23 VAL 1 -3.754 12.125 5.073 9 H CYS 2 H CYS 2 -0.604 8.812 5.284 10 HA CYS 2 HA CYS 2 -0.342 7.150 2.823 11 HB2 CYS 2 HB3 CYS 2 0.517 5.657 5.022 12 HB3 CYS 2 HB2 CYS 2 1.553 6.492 3.864 13 H GLU 3 H GLU 3 -1.808 5.520 2.463 14 HA GLU 3 HA GLU 3 -3.267 4.296 4.681 15 HB2 GLU 3 HB3 GLU 3 -5.471 4.997 4.080 16 HB3 GLU 3 HB2 GLU 3 -4.503 6.467 4.163 17 HG2 GLU 3 HG3 GLU 3 -4.155 6.305 1.682 18 HG3 GLU 3 HG2 GLU 3 -5.282 4.948 1.659 19 H ASP 4 H ASP 4 -4.648 2.492 3.895 20 HA ASP 4 HA ASP 4 -3.366 1.207 1.609 21 HB2 ASP 4 HB3 ASP 4 -4.851 -0.705 2.170 22 HB3 ASP 4 HB2 ASP 4 -3.902 -0.155 3.551 23 H LEU 5 H LEU 5 -4.061 1.439 -0.428 24 HA LEU 5 HA LEU 5 -6.630 2.707 -1.002 25 HB2 LEU 5 HB3 LEU 5 -4.539 1.494 -2.839 26 HB3 LEU 5 HB2 LEU 5 -5.923 2.444 -3.376 27 HG LEU 5 HG LEU 5 -3.709 3.415 -1.540 28 HD11 LEU 5 HD11 LEU 5 -2.651 4.055 -3.418 29 HD12 LEU 5 HD12 LEU 5 -4.080 4.949 -3.936 30 HD13 LEU 5 HD13 LEU 5 -3.895 3.252 -4.376 31 HD21 LEU 5 HD21 LEU 5 -6.367 4.504 -2.345 32 HD22 LEU 5 HD22 LEU 5 -5.020 5.640 -2.266 33 HD23 LEU 5 HD23 LEU 5 -5.479 4.714 -0.835 34 H ASN 6 H ASN 6 -5.270 -0.532 -1.044 35 HA ASN 6 HA ASN 6 -7.825 -1.582 -2.156 36 HB2 ASN 6 HB3 ASN 6 -5.509 -2.244 -3.090 37 HB3 ASN 6 HB2 ASN 6 -5.338 -3.200 -1.619 38 HD21 ASN 6 HD21 ASN 6 -7.307 -2.827 -4.563 39 HD22 ASN 6 HD22 ASN 6 -8.002 -4.376 -4.500 40 H ALA 7 H ALA 7 -9.108 -2.979 -0.939 41 HA ALA 7 HA ALA 7 -8.845 -2.868 1.938 42 HB1 ALA 7 HB1 ALA 7 -10.793 -3.802 -0.005 43 HB2 ALA 7 HB2 ALA 7 -11.045 -3.296 1.664 44 HB3 ALA 7 HB3 ALA 7 -10.605 -4.966 1.306 45 H HIS 8 H HIS 8 -7.526 -4.898 -0.481 46 HA HIS 8 HA HIS 8 -7.079 -7.138 1.412 47 HB2 HIS 8 HB3 HIS 8 -6.330 -6.859 -1.510 48 HB3 HIS 8 HB2 HIS 8 -6.202 -8.329 -0.550 49 HD2 HIS 8 HD2 HIS 8 -9.116 -8.524 0.820 50 HE1 HIS 8 HE1 HIS 8 -10.713 -7.872 -3.038 51 HE2 HIS 8 HE2 HIS 8 -11.237 -8.689 -0.691 52 H CYS 9 H CYS 9 -5.673 -4.275 1.093 53 HA CYS 9 HA CYS 9 -2.962 -4.642 0.481 54 HB2 CYS 9 HB3 CYS 9 -4.402 -2.867 2.431 55 HB3 CYS 9 HB2 CYS 9 -2.636 -2.877 2.391 56 H GLU 10 H GLU 10 -4.551 -5.150 3.661 57 HA GLU 10 HA GLU 10 -2.188 -6.029 5.005 58 HB2 GLU 10 HB3 GLU 10 -4.344 -5.406 6.133 59 HB3 GLU 10 HB2 GLU 10 -5.035 -6.918 5.544 60 HG2 GLU 10 HG3 GLU 10 -4.261 -7.312 7.792 61 HG3 GLU 10 HG2 GLU 10 -3.148 -8.133 6.697 62 H MET 11 H MET 11 -4.653 -7.744 3.135 63 HA MET 11 HA MET 11 -3.735 -10.398 3.625 64 HB2 MET 11 HB3 MET 11 -5.104 -9.229 1.186 65 HB3 MET 11 HB2 MET 11 -4.910 -10.953 1.497 66 HG2 MET 11 HG3 MET 11 -6.127 -10.613 3.683 67 HG3 MET 11 HG2 MET 11 -6.463 -8.960 3.168 68 HE1 MET 11 HE1 MET 11 -6.361 -12.465 2.442 69 HE2 MET 11 HE2 MET 11 -6.978 -12.582 0.797 70 HE3 MET 11 HE3 MET 11 -8.051 -12.902 2.157 71 H TRP 12 H TRP 12 -2.690 -7.925 1.354 72 HA TRP 12 HA TRP 12 -0.894 -9.761 -0.062 73 HB2 TRP 12 HB3 TRP 12 -1.153 -6.745 -0.213 74 HB3 TRP 12 HB2 TRP 12 -0.278 -7.759 -1.350 75 HD1 TRP 12 HD1 TRP 12 -2.828 -10.011 -1.011 76 HE1 TRP 12 HE1 TRP 12 -4.846 -9.587 -2.555 77 HE3 TRP 12 HE3 TRP 12 -2.011 -5.119 -2.216 78 HZ2 TRP 12 HZ2 TRP 12 -5.967 -7.458 -4.098 79 HZ3 TRP 12 HZ3 TRP 12 -3.568 -3.917 -3.720 80 HH2 TRP 12 HH2 TRP 12 -5.543 -5.080 -4.664 81 H GLN 13 H GLN 13 -0.518 -6.988 2.164 82 HA GLN 13 HA GLN 13 2.338 -7.056 2.192 83 HB2 GLN 13 HB3 GLN 13 2.214 -5.530 3.967 84 HB3 GLN 13 HB2 GLN 13 0.699 -5.254 3.104 85 HG2 GLN 13 HG3 GLN 13 -0.021 -5.443 5.329 86 HG3 GLN 13 HG2 GLN 13 -0.258 -7.076 4.713 87 HE21 GLN 13 HE21 GLN 13 0.109 -8.163 6.734 88 HE22 GLN 13 HE22 GLN 13 1.624 -8.177 7.497 89 H GLN 14 H GLN 14 -0.113 -8.739 4.111 90 HA GLN 14 HA GLN 14 1.729 -9.893 5.982 91 HB2 GLN 14 HB3 GLN 14 -0.085 -11.173 6.740 92 HB3 GLN 14 HB2 GLN 14 -0.887 -9.770 6.035 93 HG2 GLN 14 HG3 GLN 14 -1.022 -11.104 3.866 94 HG3 GLN 14 HG2 GLN 14 -0.551 -12.512 4.818 95 HE21 GLN 14 HE21 GLN 14 -2.652 -9.813 5.882 96 HE22 GLN 14 HE22 GLN 14 -4.032 -10.770 6.128 97 H LEU 15 H LEU 15 0.867 -10.593 2.698 98 HA LEU 15 HA LEU 15 2.120 -13.264 2.769 99 HB2 LEU 15 HB3 LEU 15 0.895 -11.629 0.532 100 HB3 LEU 15 HB2 LEU 15 1.621 -13.218 0.291 101 HG LEU 15 HG LEU 15 -0.641 -12.645 2.229 102 HD11 LEU 15 HD11 LEU 15 -2.159 -13.368 0.621 103 HD12 LEU 15 HD12 LEU 15 -0.935 -14.259 -0.281 104 HD13 LEU 15 HD13 LEU 15 -1.001 -12.502 -0.390 105 HD21 LEU 15 HD21 LEU 15 0.143 -14.616 3.069 106 HD22 LEU 15 HD22 LEU 15 1.074 -14.974 1.615 107 HD23 LEU 15 HD23 LEU 15 -0.653 -15.324 1.664 108 H GLY 16 H GLY 16 3.078 -10.033 2.407 109 HA2 GLY 16 HA3 GLY 16 5.431 -9.445 2.327 110 HA3 GLY 16 HA2 GLY 16 5.750 -10.948 1.464 111 H HIS 17 H HIS 17 2.996 -9.303 0.305 112 HA HIS 17 HA HIS 17 4.037 -8.944 -2.306 113 HB2 HIS 17 HB3 HIS 17 1.757 -7.588 -0.859 114 HB3 HIS 17 HB2 HIS 17 2.105 -7.303 -2.564 115 HD2 HIS 17 HD2 HIS 17 2.363 -10.905 -0.976 116 HE1 HIS 17 HE1 HIS 17 -0.798 -10.900 -3.775 117 HE2 HIS 17 HE2 HIS 17 0.594 -12.353 -2.231 118 H CYS 18 H CYS 18 4.238 -6.900 0.532 119 HA CYS 18 HA CYS 18 5.123 -4.531 -0.914 120 HB2 CYS 18 HB3 CYS 18 4.817 -5.373 1.919 121 HB3 CYS 18 HB2 CYS 18 6.080 -4.179 1.609 122 H GLN 19 H GLN 19 6.631 -7.217 0.803 123 HA GLN 19 HA GLN 19 9.342 -6.273 0.402 124 HB2 GLN 19 HB3 GLN 19 8.591 -7.873 2.214 125 HB3 GLN 19 HB2 GLN 19 8.409 -9.099 0.961 126 HG2 GLN 19 HG3 GLN 19 10.774 -8.872 0.357 127 HG3 GLN 19 HG2 GLN 19 10.975 -7.609 1.572 128 HE21 GLN 19 HE21 GLN 19 12.587 -9.840 1.862 129 HE22 GLN 19 HE22 GLN 19 12.047 -10.798 3.157 130 H TYR 20 H TYR 20 7.089 -8.325 -1.328 131 HA TYR 20 HA TYR 20 9.177 -9.010 -3.324 132 HB2 TYR 20 HB3 TYR 20 6.328 -10.001 -3.024 133 HB3 TYR 20 HB2 TYR 20 7.516 -10.621 -4.173 134 HD1 TYR 20 HD2 TYR 20 9.923 -11.102 -2.956 135 HD2 TYR 20 HD1 TYR 20 6.055 -11.278 -1.089 136 HE1 TYR 20 HE2 TYR 20 10.838 -12.596 -1.201 137 HE2 TYR 20 HE1 TYR 20 6.975 -12.776 0.665 138 HH TYR 20 HH TYR 20 8.990 -14.444 0.783 139 H SER 21 H SER 21 6.101 -7.254 -3.046 140 HA SER 21 HA SER 21 6.656 -6.163 -5.774 141 HB2 SER 21 HB3 SER 21 4.686 -7.888 -5.496 142 HB3 SER 21 HB2 SER 21 3.835 -6.505 -4.814 143 HG SER 21 HG SER 21 5.166 -5.806 -7.052 144 HA PRO 22 HA PRO 22 5.965 -2.781 -2.649 145 HB2 PRO 22 HB3 PRO 22 8.349 -1.498 -3.064 146 HB3 PRO 22 HB2 PRO 22 8.126 -2.772 -1.851 147 HG2 PRO 22 HG3 PRO 22 9.422 -2.896 -4.507 148 HG3 PRO 22 HG2 PRO 22 9.787 -3.789 -3.023 149 HD2 PRO 22 HD3 PRO 22 8.396 -4.827 -5.202 150 HD3 PRO 22 HD2 PRO 22 8.346 -5.488 -3.557 151 H LYS 23 H LYS 23 7.004 -2.982 -5.948 152 HA LYS 23 HA LYS 23 6.838 -0.269 -6.747 153 HB2 LYS 23 HB3 LYS 23 6.222 -2.794 -8.301 154 HB3 LYS 23 HB2 LYS 23 6.429 -1.198 -9.023 155 HG2 LYS 23 HG3 LYS 23 8.715 -1.085 -8.021 156 HG3 LYS 23 HG2 LYS 23 8.504 -2.733 -7.429 157 HD2 LYS 23 HD3 LYS 23 8.128 -3.495 -9.776 158 HD3 LYS 23 HD2 LYS 23 8.464 -1.853 -10.331 159 HE2 LYS 23 HE3 LYS 23 10.682 -2.218 -10.217 160 HE3 LYS 23 HE2 LYS 23 10.549 -2.722 -8.532 161 HZ1 LYS 23 HZ1 LYS 23 10.116 -4.927 -9.170 162 HZ2 LYS 23 HZ2 LYS 23 11.419 -4.430 -10.141 163 HZ3 LYS 23 HZ3 LYS 23 9.850 -4.505 -10.790 164 H TYR 24 H TYR 24 4.271 -2.704 -6.332 165 HA TYR 24 HA TYR 24 2.313 -0.616 -7.193 166 HB2 TYR 24 HB3 TYR 24 1.734 -3.545 -6.739 167 HB3 TYR 24 HB2 TYR 24 0.769 -2.378 -7.639 168 HD1 TYR 24 HD2 TYR 24 3.942 -4.291 -7.629 169 HD2 TYR 24 HD1 TYR 24 1.280 -1.822 -9.919 170 HE1 TYR 24 HE2 TYR 24 5.192 -4.861 -9.694 171 HE2 TYR 24 HE1 TYR 24 2.529 -2.387 -11.985 172 HH TYR 24 HH TYR 24 4.008 -4.053 -12.841 173 H MET 25 H MET 25 3.414 -2.467 -4.437 174 HA MET 25 HA MET 25 1.001 -2.073 -2.862 175 HB2 MET 25 HB3 MET 25 3.867 -2.648 -2.064 176 HB3 MET 25 HB2 MET 25 2.533 -2.556 -0.918 177 HG2 MET 25 HG3 MET 25 2.578 -4.416 -3.306 178 HG3 MET 25 HG2 MET 25 3.045 -4.898 -1.679 179 HE1 MET 25 HE1 MET 25 -0.057 -4.885 0.403 180 HE2 MET 25 HE2 MET 25 1.135 -3.595 0.323 181 HE3 MET 25 HE3 MET 25 1.656 -5.273 0.215 182 H GLY 26 H GLY 26 4.101 -0.361 -3.185 183 HA2 GLY 26 HA3 GLY 26 3.550 1.669 -1.254 184 HA3 GLY 26 HA2 GLY 26 4.681 1.835 -2.599 185 H HIS 27 H HIS 27 2.531 1.169 -4.549 186 HA HIS 27 HA HIS 27 1.457 3.896 -4.807 187 HB2 HIS 27 HB3 HIS 27 2.432 2.669 -6.761 188 HB3 HIS 27 HB2 HIS 27 1.104 1.515 -6.645 189 HD2 HIS 27 HD2 HIS 27 -1.376 2.459 -7.619 190 HE1 HIS 27 HE1 HIS 27 -0.029 6.307 -8.720 191 HE2 HIS 27 HE2 HIS 27 -1.973 4.684 -8.846 192 H TYR 28 H TYR 28 0.433 0.892 -3.547 193 HA TYR 28 HA TYR 28 -2.413 1.810 -3.669 194 HB2 TYR 28 HB3 TYR 28 -1.189 -0.892 -4.011 195 HB3 TYR 28 HB2 TYR 28 -2.774 -0.782 -3.246 196 HD1 TYR 28 HD2 TYR 28 -0.839 -0.007 -6.306 197 HD2 TYR 28 HD1 TYR 28 -4.727 -0.134 -4.481 198 HE1 TYR 28 HE2 TYR 28 -1.889 0.312 -8.530 199 HE2 TYR 28 HE1 TYR 28 -5.778 0.181 -6.708 200 HH TYR 28 HH TYR 28 -5.439 0.420 -8.881 201 H CYS 29 H CYS 29 -0.086 -0.090 -1.743 202 HA CYS 29 HA CYS 29 -1.714 0.624 0.652 203 HB2 CYS 29 HB3 CYS 29 0.372 -1.545 0.525 204 HB3 CYS 29 HB2 CYS 29 -0.959 -1.368 1.667 205 H LYS 30 H LYS 30 -0.826 2.373 1.649 206 HA LYS 30 HA LYS 30 2.094 2.822 1.460 207 HB2 LYS 30 HB3 LYS 30 0.216 4.514 3.084 208 HB3 LYS 30 HB2 LYS 30 1.670 4.995 2.215 209 HG2 LYS 30 HG3 LYS 30 -0.946 4.126 0.954 210 HG3 LYS 30 HG2 LYS 30 -0.339 5.777 1.021 211 HD2 LYS 30 HD3 LYS 30 1.167 3.515 -0.319 212 HD3 LYS 30 HD2 LYS 30 0.050 4.570 -1.177 213 HE2 LYS 30 HE3 LYS 30 2.516 5.466 0.338 214 HE3 LYS 30 HE2 LYS 30 2.343 5.405 -1.413 215 HZ1 LYS 30 HZ1 LYS 30 1.699 7.520 -1.156 216 HZ2 LYS 30 HZ2 LYS 30 1.304 7.325 0.486 217 HZ3 LYS 30 HZ3 LYS 30 0.205 6.847 -0.719 218 H LYS 31 H LYS 31 -0.315 2.545 4.086 219 HA LYS 31 HA LYS 31 1.601 2.366 6.200 220 HB2 LYS 31 HB3 LYS 31 -1.268 1.504 5.903 221 HB3 LYS 31 HB2 LYS 31 -0.370 1.209 7.392 222 HG2 LYS 31 HG3 LYS 31 -0.183 3.460 7.896 223 HG3 LYS 31 HG2 LYS 31 -0.286 3.955 6.207 224 HD2 LYS 31 HD3 LYS 31 -2.421 4.520 6.714 225 HD3 LYS 31 HD2 LYS 31 -2.749 2.790 6.603 226 HE2 LYS 31 HE3 LYS 31 -2.125 4.390 9.093 227 HE3 LYS 31 HE2 LYS 31 -3.612 3.517 8.722 228 HZ1 LYS 31 HZ1 LYS 31 -2.032 1.496 8.570 229 HZ2 LYS 31 HZ2 LYS 31 -2.507 2.063 10.100 230 HZ3 LYS 31 HZ3 LYS 31 -0.972 2.455 9.483 231 H ALA 32 H ALA 32 -0.113 -0.124 4.349 232 HA ALA 32 HA ALA 32 0.965 -2.376 5.703 233 HB1 ALA 32 HB1 ALA 32 -0.146 -3.577 4.119 234 HB2 ALA 32 HB2 ALA 32 0.548 -2.654 2.787 235 HB3 ALA 32 HB3 ALA 32 -0.829 -2.015 3.685 236 H CYS 33 H CYS 33 2.429 -0.118 3.545 237 HA CYS 33 HA CYS 33 4.737 -1.958 3.137 238 HB2 CYS 33 HB3 CYS 33 3.411 -0.066 1.431 239 HB3 CYS 33 HB2 CYS 33 5.078 0.434 1.674 240 H GLY 34 H GLY 34 6.887 -0.586 3.048 241 HA2 GLY 34 HA3 GLY 34 7.286 0.499 5.674 242 HA3 GLY 34 HA2 GLY 34 8.464 0.552 4.365 243 H LEU 35 H LEU 35 5.582 1.865 3.290 244 HA LEU 35 HA LEU 35 6.716 4.540 3.256 245 HB2 LEU 35 HB3 LEU 35 3.858 3.739 2.631 246 HB3 LEU 35 HB2 LEU 35 4.700 5.192 2.089 247 HG LEU 35 HG LEU 35 5.180 2.337 1.255 248 HD11 LEU 35 HD11 LEU 35 3.535 3.536 -0.046 249 HD12 LEU 35 HD12 LEU 35 5.006 3.389 -1.004 250 HD13 LEU 35 HD13 LEU 35 4.619 4.916 -0.215 251 HD21 LEU 35 HD21 LEU 35 7.117 3.370 -0.075 252 HD22 LEU 35 HD22 LEU 35 7.388 3.111 1.648 253 HD23 LEU 35 HD23 LEU 35 7.011 4.725 1.047 254 H CYS 36 H CYS 36 4.338 2.821 5.210 255 HA CYS 36 HA CYS 36 4.539 4.909 7.259 256 HB2 CYS 36 HB3 CYS 36 2.424 4.959 5.316 257 HB3 CYS 36 HB2 CYS 36 1.742 4.637 6.911 Start of MODEL 24 1 HA VAL 1 HA VAL 1 -0.927 11.264 5.062 2 HB VAL 1 HB VAL 1 -3.200 12.070 5.297 3 HG11 VAL 1 HG11 VAL 1 -3.767 10.213 2.973 4 HG12 VAL 1 HG12 VAL 1 -3.997 11.960 3.034 5 HG13 VAL 1 HG13 VAL 1 -5.034 10.901 3.989 6 HG21 VAL 1 HG21 VAL 1 -3.353 9.048 5.175 7 HG22 VAL 1 HG22 VAL 1 -4.240 10.128 6.253 8 HG23 VAL 1 HG23 VAL 1 -2.499 9.914 6.452 9 H CYS 2 H CYS 2 -0.858 8.956 5.476 10 HA CYS 2 HA CYS 2 -0.615 7.372 2.958 11 HB2 CYS 2 HB3 CYS 2 0.409 5.930 5.174 12 HB3 CYS 2 HB2 CYS 2 1.324 6.650 3.847 13 H GLU 3 H GLU 3 -2.024 5.695 2.638 14 HA GLU 3 HA GLU 3 -3.229 4.280 4.875 15 HB2 GLU 3 HB3 GLU 3 -5.491 4.938 4.611 16 HB3 GLU 3 HB2 GLU 3 -4.587 6.452 4.607 17 HG2 GLU 3 HG3 GLU 3 -4.553 6.319 2.083 18 HG3 GLU 3 HG2 GLU 3 -5.662 4.954 2.202 19 H ASP 4 H ASP 4 -4.437 2.421 4.153 20 HA ASP 4 HA ASP 4 -3.369 1.262 1.763 21 HB2 ASP 4 HB3 ASP 4 -4.903 -0.603 2.238 22 HB3 ASP 4 HB2 ASP 4 -4.050 -0.097 3.694 23 H LEU 5 H LEU 5 -4.331 0.905 -0.243 24 HA LEU 5 HA LEU 5 -6.708 2.612 -0.814 25 HB2 LEU 5 HB3 LEU 5 -4.556 1.455 -2.616 26 HB3 LEU 5 HB2 LEU 5 -5.937 2.382 -3.202 27 HG LEU 5 HG LEU 5 -3.826 3.370 -1.257 28 HD11 LEU 5 HD11 LEU 5 -2.688 3.978 -3.102 29 HD12 LEU 5 HD12 LEU 5 -4.060 4.970 -3.597 30 HD13 LEU 5 HD13 LEU 5 -3.949 3.292 -4.127 31 HD21 LEU 5 HD21 LEU 5 -5.656 4.621 -0.611 32 HD22 LEU 5 HD22 LEU 5 -6.467 4.425 -2.166 33 HD23 LEU 5 HD23 LEU 5 -5.146 5.581 -1.998 34 H ASN 6 H ASN 6 -5.426 -0.663 -1.094 35 HA ASN 6 HA ASN 6 -8.034 -1.570 -2.225 36 HB2 ASN 6 HB3 ASN 6 -5.767 -2.227 -3.274 37 HB3 ASN 6 HB2 ASN 6 -5.569 -3.276 -1.868 38 HD21 ASN 6 HD21 ASN 6 -6.426 -5.341 -2.121 39 HD22 ASN 6 HD22 ASN 6 -7.654 -5.760 -3.215 40 H ALA 7 H ALA 7 -9.270 -3.133 -1.098 41 HA ALA 7 HA ALA 7 -9.068 -3.108 1.765 42 HB1 ALA 7 HB1 ALA 7 -10.514 -5.349 0.441 43 HB2 ALA 7 HB2 ALA 7 -11.065 -3.714 0.070 44 HB3 ALA 7 HB3 ALA 7 -11.043 -4.280 1.742 45 H HIS 8 H HIS 8 -7.702 -5.193 -0.689 46 HA HIS 8 HA HIS 8 -6.943 -7.247 1.300 47 HB2 HIS 8 HB3 HIS 8 -6.429 -7.002 -1.674 48 HB3 HIS 8 HB2 HIS 8 -5.868 -8.350 -0.687 49 HD2 HIS 8 HD2 HIS 8 -9.024 -8.040 0.977 50 HE1 HIS 8 HE1 HIS 8 -10.205 -9.862 -2.643 51 HE2 HIS 8 HE2 HIS 8 -10.917 -9.326 -0.272 52 H CYS 9 H CYS 9 -5.841 -4.299 0.865 53 HA CYS 9 HA CYS 9 -3.116 -4.370 0.203 54 HB2 CYS 9 HB3 CYS 9 -4.880 -2.678 1.828 55 HB3 CYS 9 HB2 CYS 9 -3.194 -2.639 2.345 56 H GLU 10 H GLU 10 -4.526 -4.755 3.464 57 HA GLU 10 HA GLU 10 -2.079 -5.438 4.752 58 HB2 GLU 10 HB3 GLU 10 -4.965 -6.065 5.400 59 HB3 GLU 10 HB2 GLU 10 -3.631 -6.490 6.475 60 HG2 GLU 10 HG3 GLU 10 -2.948 -4.104 6.538 61 HG3 GLU 10 HG2 GLU 10 -4.319 -3.695 5.506 62 H MET 11 H MET 11 -4.525 -7.432 3.128 63 HA MET 11 HA MET 11 -3.443 -9.969 3.873 64 HB2 MET 11 HB3 MET 11 -4.949 -9.133 1.374 65 HB3 MET 11 HB2 MET 11 -4.637 -10.804 1.839 66 HG2 MET 11 HG3 MET 11 -6.202 -8.775 3.458 67 HG3 MET 11 HG2 MET 11 -6.888 -10.124 2.554 68 HE1 MET 11 HE1 MET 11 -4.485 -12.524 3.353 69 HE2 MET 11 HE2 MET 11 -6.117 -12.380 2.703 70 HE3 MET 11 HE3 MET 11 -5.850 -13.245 4.216 71 H TRP 12 H TRP 12 -2.724 -7.762 1.204 72 HA TRP 12 HA TRP 12 -0.883 -9.549 -0.119 73 HB2 TRP 12 HB3 TRP 12 -1.111 -6.534 -0.258 74 HB3 TRP 12 HB2 TRP 12 -0.233 -7.544 -1.396 75 HD1 TRP 12 HD1 TRP 12 -2.776 -9.800 -1.038 76 HE1 TRP 12 HE1 TRP 12 -4.800 -9.392 -2.580 77 HE3 TRP 12 HE3 TRP 12 -1.966 -4.917 -2.288 78 HZ2 TRP 12 HZ2 TRP 12 -5.930 -7.273 -4.133 79 HZ3 TRP 12 HZ3 TRP 12 -3.533 -3.727 -3.793 80 HH2 TRP 12 HH2 TRP 12 -5.513 -4.899 -4.718 81 H GLN 13 H GLN 13 -0.448 -6.896 2.215 82 HA GLN 13 HA GLN 13 2.417 -6.981 2.152 83 HB2 GLN 13 HB3 GLN 13 2.330 -5.400 3.829 84 HB3 GLN 13 HB2 GLN 13 0.706 -5.231 3.167 85 HG2 GLN 13 HG3 GLN 13 0.266 -5.425 5.453 86 HG3 GLN 13 HG2 GLN 13 0.094 -7.088 4.915 87 HE21 GLN 13 HE21 GLN 13 0.893 -8.252 6.709 88 HE22 GLN 13 HE22 GLN 13 2.446 -8.030 7.363 89 H GLN 14 H GLN 14 -0.014 -8.707 4.070 90 HA GLN 14 HA GLN 14 1.911 -9.913 5.846 91 HB2 GLN 14 HB3 GLN 14 0.128 -11.070 6.749 92 HB3 GLN 14 HB2 GLN 14 -0.737 -9.752 5.966 93 HG2 GLN 14 HG3 GLN 14 -0.805 -11.336 3.906 94 HG3 GLN 14 HG2 GLN 14 -0.442 -12.607 5.070 95 HE21 GLN 14 HE21 GLN 14 -2.266 -9.884 6.271 96 HE22 GLN 14 HE22 GLN 14 -3.775 -10.656 6.323 97 H LEU 15 H LEU 15 0.683 -10.666 2.645 98 HA LEU 15 HA LEU 15 1.955 -13.305 2.578 99 HB2 LEU 15 HB3 LEU 15 0.744 -11.549 0.429 100 HB3 LEU 15 HB2 LEU 15 1.412 -13.150 0.113 101 HG LEU 15 HG LEU 15 -0.825 -12.551 2.075 102 HD11 LEU 15 HD11 LEU 15 -2.268 -12.797 0.364 103 HD12 LEU 15 HD12 LEU 15 -1.483 -14.292 -0.141 104 HD13 LEU 15 HD13 LEU 15 -0.892 -12.739 -0.735 105 HD21 LEU 15 HD21 LEU 15 -0.003 -14.517 2.923 106 HD22 LEU 15 HD22 LEU 15 0.814 -14.941 1.418 107 HD23 LEU 15 HD23 LEU 15 -0.919 -15.215 1.584 108 H GLY 16 H GLY 16 3.076 -10.140 2.439 109 HA2 GLY 16 HA3 GLY 16 5.401 -9.578 2.254 110 HA3 GLY 16 HA2 GLY 16 5.670 -11.081 1.379 111 H HIS 17 H HIS 17 2.960 -9.253 0.272 112 HA HIS 17 HA HIS 17 4.000 -8.970 -2.352 113 HB2 HIS 17 HB3 HIS 17 1.816 -7.479 -0.896 114 HB3 HIS 17 HB2 HIS 17 2.178 -7.206 -2.600 115 HD2 HIS 17 HD2 HIS 17 2.211 -10.840 -1.058 116 HE1 HIS 17 HE1 HIS 17 -0.995 -10.580 -3.797 117 HE2 HIS 17 HE2 HIS 17 0.316 -12.145 -2.289 118 H CYS 18 H CYS 18 4.370 -6.944 0.485 119 HA CYS 18 HA CYS 18 5.387 -4.644 -0.998 120 HB2 CYS 18 HB3 CYS 18 5.154 -5.447 1.875 121 HB3 CYS 18 HB2 CYS 18 6.350 -4.218 1.466 122 H GLN 19 H GLN 19 6.721 -7.389 0.772 123 HA GLN 19 HA GLN 19 9.490 -6.659 0.378 124 HB2 GLN 19 HB3 GLN 19 8.617 -8.244 2.150 125 HB3 GLN 19 HB2 GLN 19 8.341 -9.423 0.869 126 HG2 GLN 19 HG3 GLN 19 10.734 -9.325 0.266 127 HG3 GLN 19 HG2 GLN 19 11.008 -8.158 1.559 128 HE21 GLN 19 HE21 GLN 19 12.459 -10.502 1.743 129 HE22 GLN 19 HE22 GLN 19 11.830 -11.505 2.960 130 H TYR 20 H TYR 20 7.103 -8.525 -1.395 131 HA TYR 20 HA TYR 20 9.131 -9.299 -3.419 132 HB2 TYR 20 HB3 TYR 20 6.219 -10.090 -3.146 133 HB3 TYR 20 HB2 TYR 20 7.368 -10.773 -4.297 134 HD1 TYR 20 HD1 TYR 20 9.714 -11.484 -3.069 135 HD2 TYR 20 HD2 TYR 20 5.828 -11.362 -1.241 136 HE1 TYR 20 HE1 TYR 20 10.475 -13.091 -1.339 137 HE2 TYR 20 HE2 TYR 20 6.593 -12.961 0.492 138 HH TYR 20 HH TYR 20 8.269 -14.193 1.238 139 H SER 21 H SER 21 6.050 -7.502 -3.166 140 HA SER 21 HA SER 21 6.724 -6.285 -5.815 141 HB2 SER 21 HB3 SER 21 4.713 -8.001 -5.611 142 HB3 SER 21 HB2 SER 21 3.866 -6.589 -4.981 143 HG SER 21 HG SER 21 5.370 -6.050 -7.197 144 HA PRO 22 HA PRO 22 6.001 -2.991 -2.583 145 HB2 PRO 22 HB3 PRO 22 8.379 -1.692 -2.978 146 HB3 PRO 22 HB2 PRO 22 8.166 -2.998 -1.799 147 HG2 PRO 22 HG3 PRO 22 9.420 -3.055 -4.482 148 HG3 PRO 22 HG2 PRO 22 9.839 -3.955 -3.014 149 HD2 PRO 22 HD3 PRO 22 8.443 -5.029 -5.148 150 HD3 PRO 22 HD2 PRO 22 8.372 -5.659 -3.488 151 H LYS 23 H LYS 23 7.043 -3.092 -5.891 152 HA LYS 23 HA LYS 23 6.857 -0.354 -6.603 153 HB2 LYS 23 HB3 LYS 23 6.261 -2.828 -8.244 154 HB3 LYS 23 HB2 LYS 23 6.452 -1.206 -8.911 155 HG2 LYS 23 HG3 LYS 23 8.743 -1.120 -7.881 156 HG3 LYS 23 HG2 LYS 23 8.541 -2.807 -7.406 157 HD2 LYS 23 HD3 LYS 23 8.155 -3.392 -9.806 158 HD3 LYS 23 HD2 LYS 23 8.501 -1.717 -10.234 159 HE2 LYS 23 HE3 LYS 23 10.517 -3.080 -10.516 160 HE3 LYS 23 HE2 LYS 23 10.748 -1.936 -9.196 161 HZ1 LYS 23 HZ1 LYS 23 10.344 -3.626 -7.610 162 HZ2 LYS 23 HZ2 LYS 23 11.461 -4.261 -8.720 163 HZ3 LYS 23 HZ3 LYS 23 9.828 -4.723 -8.792 164 H TYR 24 H TYR 24 4.312 -2.823 -6.282 165 HA TYR 24 HA TYR 24 2.331 -0.745 -7.102 166 HB2 TYR 24 HB3 TYR 24 1.807 -3.689 -6.647 167 HB3 TYR 24 HB2 TYR 24 0.802 -2.534 -7.522 168 HD1 TYR 24 HD1 TYR 24 4.011 -4.389 -7.592 169 HD2 TYR 24 HD2 TYR 24 1.259 -1.950 -9.806 170 HE1 TYR 24 HE1 TYR 24 5.229 -4.921 -9.686 171 HE2 TYR 24 HE2 TYR 24 2.477 -2.478 -11.901 172 HH TYR 24 HH TYR 24 4.735 -4.978 -12.135 173 H MET 25 H MET 25 3.457 -2.589 -4.335 174 HA MET 25 HA MET 25 1.036 -2.185 -2.773 175 HB2 MET 25 HB3 MET 25 3.901 -2.743 -1.952 176 HB3 MET 25 HB2 MET 25 2.566 -2.630 -0.813 177 HG2 MET 25 HG3 MET 25 2.695 -4.573 -3.140 178 HG3 MET 25 HG2 MET 25 3.035 -4.986 -1.460 179 HE1 MET 25 HE1 MET 25 1.276 -5.392 0.370 180 HE2 MET 25 HE2 MET 25 -0.276 -4.553 0.374 181 HE3 MET 25 HE3 MET 25 1.216 -3.626 0.319 182 H GLY 26 H GLY 26 4.131 -0.474 -3.098 183 HA2 GLY 26 HA3 GLY 26 3.611 1.574 -1.188 184 HA3 GLY 26 HA2 GLY 26 4.719 1.724 -2.552 185 H HIS 27 H HIS 27 2.441 1.033 -4.412 186 HA HIS 27 HA HIS 27 1.438 3.793 -4.666 187 HB2 HIS 27 HB3 HIS 27 2.362 2.574 -6.643 188 HB3 HIS 27 HB2 HIS 27 1.026 1.428 -6.513 189 HD2 HIS 27 HD2 HIS 27 -1.500 2.442 -7.330 190 HE1 HIS 27 HE1 HIS 27 -0.084 6.220 -8.578 191 HE2 HIS 27 HE2 HIS 27 -2.092 4.669 -8.552 192 H TYR 28 H TYR 28 0.375 0.760 -3.472 193 HA TYR 28 HA TYR 28 -2.446 1.760 -3.515 194 HB2 TYR 28 HB3 TYR 28 -1.298 -0.995 -3.823 195 HB3 TYR 28 HB2 TYR 28 -2.911 -0.795 -3.140 196 HD1 TYR 28 HD2 TYR 28 -0.799 -0.171 -6.120 197 HD2 TYR 28 HD1 TYR 28 -4.768 -0.080 -4.478 198 HE1 TYR 28 HE2 TYR 28 -1.732 0.134 -8.397 199 HE2 TYR 28 HE1 TYR 28 -5.702 0.227 -6.756 200 HH TYR 28 HH TYR 28 -4.306 -0.493 -9.420 201 H CYS 29 H CYS 29 -0.055 -0.107 -1.644 202 HA CYS 29 HA CYS 29 -1.635 0.578 0.795 203 HB2 CYS 29 HB3 CYS 29 0.486 -1.548 0.677 204 HB3 CYS 29 HB2 CYS 29 -0.878 -1.406 1.780 205 H LYS 30 H LYS 30 -0.743 2.336 1.749 206 HA LYS 30 HA LYS 30 2.151 2.834 1.510 207 HB2 LYS 30 HB3 LYS 30 0.355 4.531 3.195 208 HB3 LYS 30 HB2 LYS 30 1.692 5.014 2.154 209 HG2 LYS 30 HG3 LYS 30 -1.025 4.037 1.216 210 HG3 LYS 30 HG2 LYS 30 -0.463 5.706 1.173 211 HD2 LYS 30 HD3 LYS 30 1.060 3.507 -0.228 212 HD3 LYS 30 HD2 LYS 30 -0.288 4.327 -1.005 213 HE2 LYS 30 HE3 LYS 30 2.208 5.657 0.087 214 HE3 LYS 30 HE2 LYS 30 1.809 5.431 -1.615 215 HZ1 LYS 30 HZ1 LYS 30 0.932 7.443 0.186 216 HZ2 LYS 30 HZ2 LYS 30 -0.393 6.633 -0.505 217 HZ3 LYS 30 HZ3 LYS 30 0.773 7.367 -1.501 218 H LYS 31 H LYS 31 -0.234 2.508 4.149 219 HA LYS 31 HA LYS 31 1.700 2.356 6.256 220 HB2 LYS 31 HB3 LYS 31 -1.163 1.439 5.994 221 HB3 LYS 31 HB2 LYS 31 -0.245 1.200 7.478 222 HG2 LYS 31 HG3 LYS 31 -0.109 3.467 7.933 223 HG3 LYS 31 HG2 LYS 31 -0.252 3.920 6.236 224 HD2 LYS 31 HD3 LYS 31 -2.381 4.457 6.805 225 HD3 LYS 31 HD2 LYS 31 -2.675 2.728 6.652 226 HE2 LYS 31 HE3 LYS 31 -3.540 3.578 8.793 227 HE3 LYS 31 HE2 LYS 31 -2.221 2.437 9.060 228 HZ1 LYS 31 HZ1 LYS 31 -1.426 5.207 8.756 229 HZ2 LYS 31 HZ2 LYS 31 -0.884 4.036 9.860 230 HZ3 LYS 31 HZ3 LYS 31 -2.334 4.875 10.149 231 H ALA 32 H ALA 32 -0.068 -0.151 4.461 232 HA ALA 32 HA ALA 32 1.043 -2.401 5.774 233 HB1 ALA 32 HB1 ALA 32 -0.117 -3.597 4.234 234 HB2 ALA 32 HB2 ALA 32 0.578 -2.711 2.874 235 HB3 ALA 32 HB3 ALA 32 -0.781 -2.032 3.779 236 H CYS 33 H CYS 33 2.460 -0.184 3.533 237 HA CYS 33 HA CYS 33 4.777 -2.031 3.142 238 HB2 CYS 33 HB3 CYS 33 3.405 -0.277 1.365 239 HB3 CYS 33 HB2 CYS 33 5.010 0.388 1.624 240 H GLY 34 H GLY 34 6.841 -0.371 2.793 241 HA2 GLY 34 HA3 GLY 34 7.241 0.731 5.462 242 HA3 GLY 34 HA2 GLY 34 8.432 0.715 4.159 243 H LEU 35 H LEU 35 5.200 2.065 3.632 244 HA LEU 35 HA LEU 35 6.530 4.695 3.215 245 HB2 LEU 35 HB3 LEU 35 3.666 3.930 2.607 246 HB3 LEU 35 HB2 LEU 35 4.545 5.332 2.006 247 HG LEU 35 HG LEU 35 4.958 2.430 1.300 248 HD11 LEU 35 HD11 LEU 35 4.329 4.962 -0.222 249 HD12 LEU 35 HD12 LEU 35 3.365 3.491 -0.117 250 HD13 LEU 35 HD13 LEU 35 4.873 3.492 -1.029 251 HD21 LEU 35 HD21 LEU 35 7.188 3.206 1.662 252 HD22 LEU 35 HD22 LEU 35 6.834 4.775 0.937 253 HD23 LEU 35 HD23 LEU 35 6.918 3.336 -0.078 254 H CYS 36 H CYS 36 4.333 3.041 5.344 255 HA CYS 36 HA CYS 36 4.451 5.236 7.249 256 HB2 CYS 36 HB3 CYS 36 2.395 5.295 5.299 257 HB3 CYS 36 HB2 CYS 36 1.638 4.861 6.832 Start of MODEL 25 1 HA VAL 1 HA VAL 1 -1.319 10.895 4.779 2 HB VAL 1 HB VAL 1 -1.784 11.494 1.840 3 HG11 VAL 1 HG11 VAL 1 -3.368 10.102 3.916 4 HG12 VAL 1 HG12 VAL 1 -3.461 9.986 2.158 5 HG13 VAL 1 HG13 VAL 1 -4.244 11.329 2.997 6 HG21 VAL 1 HG21 VAL 1 -3.350 12.973 3.799 7 HG22 VAL 1 HG22 VAL 1 -2.351 13.584 2.479 8 HG23 VAL 1 HG23 VAL 1 -1.621 13.222 4.044 9 H CYS 2 H CYS 2 -0.627 8.793 5.189 10 HA CYS 2 HA CYS 2 -0.267 7.012 2.817 11 HB2 CYS 2 HB3 CYS 2 0.511 5.611 5.103 12 HB3 CYS 2 HB2 CYS 2 1.584 6.345 3.914 13 H GLU 3 H GLU 3 -1.732 5.382 2.521 14 HA GLU 3 HA GLU 3 -3.278 4.290 4.736 15 HB2 GLU 3 HB3 GLU 3 -5.445 5.046 4.083 16 HB3 GLU 3 HB2 GLU 3 -4.427 6.487 4.146 17 HG2 GLU 3 HG3 GLU 3 -4.034 6.231 1.676 18 HG3 GLU 3 HG2 GLU 3 -5.227 4.929 1.674 19 H ASP 4 H ASP 4 -4.691 2.504 3.978 20 HA ASP 4 HA ASP 4 -3.446 1.169 1.688 21 HB2 ASP 4 HB3 ASP 4 -5.040 -0.687 2.290 22 HB3 ASP 4 HB2 ASP 4 -3.943 -0.220 3.591 23 H LEU 5 H LEU 5 -4.179 1.396 -0.336 24 HA LEU 5 HA LEU 5 -6.759 2.690 -0.848 25 HB2 LEU 5 HB3 LEU 5 -4.697 1.534 -2.749 26 HB3 LEU 5 HB2 LEU 5 -6.079 2.522 -3.219 27 HG LEU 5 HG LEU 5 -3.809 3.400 -1.405 28 HD11 LEU 5 HD11 LEU 5 -2.783 4.065 -3.290 29 HD12 LEU 5 HD12 LEU 5 -4.196 5.023 -3.728 30 HD13 LEU 5 HD13 LEU 5 -4.078 3.339 -4.241 31 HD21 LEU 5 HD21 LEU 5 -5.083 5.666 -1.982 32 HD22 LEU 5 HD22 LEU 5 -5.571 4.669 -0.612 33 HD23 LEU 5 HD23 LEU 5 -6.459 4.574 -2.133 34 H ASN 6 H ASN 6 -5.361 -0.534 -1.009 35 HA ASN 6 HA ASN 6 -7.911 -1.582 -2.140 36 HB2 ASN 6 HB3 ASN 6 -5.559 -2.188 -3.076 37 HB3 ASN 6 HB2 ASN 6 -5.428 -3.214 -1.648 38 HD21 ASN 6 HD21 ASN 6 -7.203 -2.756 -4.683 39 HD22 ASN 6 HD22 ASN 6 -7.958 -4.278 -4.674 40 H ALA 7 H ALA 7 -9.191 -2.986 -0.944 41 HA ALA 7 HA ALA 7 -8.910 -2.967 1.924 42 HB1 ALA 7 HB1 ALA 7 -10.818 -4.530 1.902 43 HB2 ALA 7 HB2 ALA 7 -10.614 -4.760 0.165 44 HB3 ALA 7 HB3 ALA 7 -11.104 -3.187 0.793 45 H HIS 8 H HIS 8 -7.642 -4.978 -0.578 46 HA HIS 8 HA HIS 8 -7.098 -7.225 1.262 47 HB2 HIS 8 HB3 HIS 8 -6.402 -6.784 -1.653 48 HB3 HIS 8 HB2 HIS 8 -6.071 -8.264 -0.762 49 HD2 HIS 8 HD2 HIS 8 -9.242 -7.820 0.758 50 HE1 HIS 8 HE1 HIS 8 -10.431 -8.987 -3.122 51 HE2 HIS 8 HE2 HIS 8 -11.201 -8.697 -0.722 52 H CYS 9 H CYS 9 -5.773 -4.308 1.066 53 HA CYS 9 HA CYS 9 -3.038 -4.600 0.505 54 HB2 CYS 9 HB3 CYS 9 -4.584 -2.877 2.404 55 HB3 CYS 9 HB2 CYS 9 -2.824 -2.883 2.502 56 H GLU 10 H GLU 10 -4.738 -5.288 3.581 57 HA GLU 10 HA GLU 10 -2.367 -6.129 4.971 58 HB2 GLU 10 HB3 GLU 10 -4.592 -5.551 6.045 59 HB3 GLU 10 HB2 GLU 10 -5.194 -7.105 5.466 60 HG2 GLU 10 HG3 GLU 10 -3.348 -8.242 6.689 61 HG3 GLU 10 HG2 GLU 10 -2.841 -6.678 7.327 62 H MET 11 H MET 11 -4.769 -7.819 3.000 63 HA MET 11 HA MET 11 -3.852 -10.479 3.467 64 HB2 MET 11 HB3 MET 11 -5.176 -9.266 1.028 65 HB3 MET 11 HB2 MET 11 -4.944 -10.995 1.272 66 HG2 MET 11 HG3 MET 11 -6.253 -10.824 3.397 67 HG3 MET 11 HG2 MET 11 -6.565 -9.129 3.025 68 HE1 MET 11 HE1 MET 11 -10.030 -10.537 2.288 69 HE2 MET 11 HE2 MET 11 -9.072 -9.264 3.042 70 HE3 MET 11 HE3 MET 11 -8.918 -10.924 3.610 71 H TRP 12 H TRP 12 -2.726 -7.956 1.303 72 HA TRP 12 HA TRP 12 -0.899 -9.782 -0.104 73 HB2 TRP 12 HB3 TRP 12 -1.119 -6.766 -0.247 74 HB3 TRP 12 HB2 TRP 12 -0.271 -7.803 -1.384 75 HD1 TRP 12 HD1 TRP 12 -2.860 -10.000 -1.068 76 HE1 TRP 12 HE1 TRP 12 -4.873 -9.525 -2.607 77 HE3 TRP 12 HE3 TRP 12 -1.959 -5.109 -2.203 78 HZ2 TRP 12 HZ2 TRP 12 -5.961 -7.346 -4.119 79 HZ3 TRP 12 HZ3 TRP 12 -3.493 -3.859 -3.689 80 HH2 TRP 12 HH2 TRP 12 -5.491 -4.968 -4.649 81 H GLN 13 H GLN 13 -0.585 -7.015 2.145 82 HA GLN 13 HA GLN 13 2.271 -7.075 2.232 83 HB2 GLN 13 HB3 GLN 13 2.105 -5.573 4.027 84 HB3 GLN 13 HB2 GLN 13 0.613 -5.283 3.133 85 HG2 GLN 13 HG3 GLN 13 -0.152 -5.494 5.343 86 HG3 GLN 13 HG2 GLN 13 -0.387 -7.119 4.698 87 HE21 GLN 13 HE21 GLN 13 -0.045 -8.258 6.697 88 HE22 GLN 13 HE22 GLN 13 1.452 -8.271 7.497 89 H GLN 14 H GLN 14 -0.220 -8.781 4.057 90 HA GLN 14 HA GLN 14 1.547 -9.971 5.966 91 HB2 GLN 14 HB3 GLN 14 -0.277 -11.298 6.606 92 HB3 GLN 14 HB2 GLN 14 -1.059 -9.874 5.921 93 HG2 GLN 14 HG3 GLN 14 -1.133 -11.127 3.710 94 HG3 GLN 14 HG2 GLN 14 -0.654 -12.567 4.608 95 HE21 GLN 14 HE21 GLN 14 -2.801 -9.965 5.790 96 HE22 GLN 14 HE22 GLN 14 -4.174 -10.945 5.963 97 H LEU 15 H LEU 15 0.763 -10.700 2.634 98 HA LEU 15 HA LEU 15 2.122 -13.313 2.760 99 HB2 LEU 15 HB3 LEU 15 0.944 -11.760 0.438 100 HB3 LEU 15 HB2 LEU 15 1.651 -13.369 0.304 101 HG LEU 15 HG LEU 15 -0.694 -12.638 2.083 102 HD11 LEU 15 HD11 LEU 15 -0.621 -13.110 -0.692 103 HD12 LEU 15 HD12 LEU 15 -2.048 -13.108 0.345 104 HD13 LEU 15 HD13 LEU 15 -1.191 -14.616 0.029 105 HD21 LEU 15 HD21 LEU 15 0.985 -15.077 1.706 106 HD22 LEU 15 HD22 LEU 15 -0.747 -15.314 1.938 107 HD23 LEU 15 HD23 LEU 15 0.201 -14.472 3.163 108 H GLY 16 H GLY 16 2.994 -10.048 2.394 109 HA2 GLY 16 HA3 GLY 16 5.335 -9.406 2.367 110 HA3 GLY 16 HA2 GLY 16 5.710 -10.907 1.529 111 H HIS 17 H HIS 17 2.968 -9.265 0.280 112 HA HIS 17 HA HIS 17 4.091 -8.945 -2.301 113 HB2 HIS 17 HB3 HIS 17 1.786 -7.521 -0.959 114 HB3 HIS 17 HB2 HIS 17 2.179 -7.327 -2.668 115 HD2 HIS 17 HD2 HIS 17 2.428 -10.885 -1.002 116 HE1 HIS 17 HE1 HIS 17 -0.833 -10.914 -3.687 117 HE2 HIS 17 HE2 HIS 17 0.610 -12.349 -2.171 118 H CYS 18 H CYS 18 4.311 -6.911 0.531 119 HA CYS 18 HA CYS 18 5.229 -4.550 -0.933 120 HB2 CYS 18 HB3 CYS 18 4.869 -5.343 1.912 121 HB3 CYS 18 HB2 CYS 18 6.125 -4.144 1.594 122 H GLN 19 H GLN 19 6.657 -7.217 0.880 123 HA GLN 19 HA GLN 19 9.394 -6.342 0.574 124 HB2 GLN 19 HB3 GLN 19 8.596 -7.962 2.324 125 HB3 GLN 19 HB2 GLN 19 8.333 -9.145 1.042 126 HG2 GLN 19 HG3 GLN 19 10.698 -9.067 0.434 127 HG3 GLN 19 HG2 GLN 19 10.990 -7.814 1.640 128 HE21 GLN 19 HE21 GLN 19 12.456 -10.167 1.886 129 HE22 GLN 19 HE22 GLN 19 11.892 -11.074 3.203 130 H TYR 20 H TYR 20 7.166 -8.330 -1.268 131 HA TYR 20 HA TYR 20 9.297 -8.983 -3.227 132 HB2 TYR 20 HB3 TYR 20 6.439 -9.964 -2.972 133 HB3 TYR 20 HB2 TYR 20 7.610 -10.542 -4.161 134 HD1 TYR 20 HD1 TYR 20 9.997 -11.166 -3.058 135 HD2 TYR 20 HD2 TYR 20 6.217 -11.231 -1.025 136 HE1 TYR 20 HE1 TYR 20 10.928 -12.744 -1.388 137 HE2 TYR 20 HE2 TYR 20 7.143 -12.805 0.651 138 HH TYR 20 HH TYR 20 9.295 -14.639 0.457 139 H SER 21 H SER 21 6.176 -7.273 -3.013 140 HA SER 21 HA SER 21 6.827 -6.072 -5.675 141 HB2 SER 21 HB3 SER 21 4.788 -7.830 -5.334 142 HB3 SER 21 HB2 SER 21 3.960 -6.323 -4.961 143 HG SER 21 HG SER 21 5.638 -6.536 -7.213 144 HA PRO 22 HA PRO 22 5.923 -2.786 -2.495 145 HB2 PRO 22 HB3 PRO 22 8.291 -1.441 -2.746 146 HB3 PRO 22 HB2 PRO 22 8.044 -2.769 -1.597 147 HG2 PRO 22 HG3 PRO 22 9.450 -2.761 -4.204 148 HG3 PRO 22 HG2 PRO 22 9.797 -3.681 -2.734 149 HD2 PRO 22 HD3 PRO 22 8.524 -4.712 -4.980 150 HD3 PRO 22 HD2 PRO 22 8.419 -5.408 -3.349 151 H LYS 23 H LYS 23 7.093 -2.915 -5.742 152 HA LYS 23 HA LYS 23 6.922 -0.196 -6.522 153 HB2 LYS 23 HB3 LYS 23 6.386 -2.712 -8.119 154 HB3 LYS 23 HB2 LYS 23 6.595 -1.105 -8.821 155 HG2 LYS 23 HG3 LYS 23 8.849 -0.982 -7.722 156 HG3 LYS 23 HG2 LYS 23 8.634 -2.648 -7.190 157 HD2 LYS 23 HD3 LYS 23 8.388 -3.365 -9.542 158 HD3 LYS 23 HD2 LYS 23 8.637 -1.700 -10.070 159 HE2 LYS 23 HE3 LYS 23 10.873 -1.682 -9.105 160 HE3 LYS 23 HE2 LYS 23 10.626 -3.294 -8.433 161 HZ1 LYS 23 HZ1 LYS 23 10.130 -3.098 -11.267 162 HZ2 LYS 23 HZ2 LYS 23 11.012 -4.259 -10.395 163 HZ3 LYS 23 HZ3 LYS 23 11.740 -2.785 -10.828 164 H TYR 24 H TYR 24 4.361 -2.665 -6.247 165 HA TYR 24 HA TYR 24 2.418 -0.575 -7.141 166 HB2 TYR 24 HB3 TYR 24 1.824 -3.509 -6.727 167 HB3 TYR 24 HB2 TYR 24 0.912 -2.340 -7.678 168 HD1 TYR 24 HD1 TYR 24 4.017 -4.345 -7.514 169 HD2 TYR 24 HD2 TYR 24 1.592 -1.734 -9.921 170 HE1 TYR 24 HE1 TYR 24 5.365 -4.929 -9.512 171 HE2 TYR 24 HE2 TYR 24 2.942 -2.322 -11.915 172 HH TYR 24 HH TYR 24 5.888 -3.691 -11.802 173 H MET 25 H MET 25 3.447 -2.454 -4.377 174 HA MET 25 HA MET 25 0.994 -2.116 -2.862 175 HB2 MET 25 HB3 MET 25 3.858 -2.586 -2.003 176 HB3 MET 25 HB2 MET 25 2.511 -2.504 -0.878 177 HG2 MET 25 HG3 MET 25 2.673 -4.431 -3.208 178 HG3 MET 25 HG2 MET 25 3.071 -4.847 -1.543 179 HE1 MET 25 HE1 MET 25 1.180 -3.631 0.349 180 HE2 MET 25 HE2 MET 25 1.496 -5.359 0.274 181 HE3 MET 25 HE3 MET 25 -0.162 -4.780 0.383 182 H GLY 26 H GLY 26 4.038 -0.318 -3.131 183 HA2 GLY 26 HA3 GLY 26 3.394 1.720 -1.235 184 HA3 GLY 26 HA2 GLY 26 4.553 1.892 -2.556 185 H HIS 27 H HIS 27 2.381 1.130 -4.507 186 HA HIS 27 HA HIS 27 1.351 3.858 -4.869 187 HB2 HIS 27 HB3 HIS 27 2.275 2.511 -6.770 188 HB3 HIS 27 HB2 HIS 27 0.919 1.398 -6.584 189 HD2 HIS 27 HD2 HIS 27 -1.600 2.436 -7.428 190 HE1 HIS 27 HE1 HIS 27 -0.083 6.055 -8.982 191 HE2 HIS 27 HE2 HIS 27 -2.130 4.568 -8.831 192 H TYR 28 H TYR 28 0.292 0.869 -3.561 193 HA TYR 28 HA TYR 28 -2.524 1.878 -3.554 194 HB2 TYR 28 HB3 TYR 28 -1.393 -0.874 -3.904 195 HB3 TYR 28 HB2 TYR 28 -2.978 -0.680 -3.148 196 HD1 TYR 28 HD2 TYR 28 -1.001 -0.073 -6.215 197 HD2 TYR 28 HD1 TYR 28 -4.890 0.058 -4.404 198 HE1 TYR 28 HE2 TYR 28 -2.032 0.244 -8.451 199 HE2 TYR 28 HE1 TYR 28 -5.921 0.383 -6.633 200 HH TYR 28 HH TYR 28 -4.159 1.229 -9.366 201 H CYS 29 H CYS 29 -0.249 -0.203 -1.735 202 HA CYS 29 HA CYS 29 -1.747 0.562 0.721 203 HB2 CYS 29 HB3 CYS 29 0.374 -1.571 0.516 204 HB3 CYS 29 HB2 CYS 29 -0.901 -1.408 1.720 205 H LYS 30 H LYS 30 -0.857 2.349 1.652 206 HA LYS 30 HA LYS 30 2.048 2.833 1.399 207 HB2 LYS 30 HB3 LYS 30 0.216 4.530 3.058 208 HB3 LYS 30 HB2 LYS 30 1.599 5.012 2.081 209 HG2 LYS 30 HG3 LYS 30 -1.063 4.041 1.002 210 HG3 LYS 30 HG2 LYS 30 -0.523 5.714 1.024 211 HD2 LYS 30 HD3 LYS 30 1.033 3.529 -0.373 212 HD3 LYS 30 HD2 LYS 30 -0.218 4.466 -1.178 213 HE2 LYS 30 HE3 LYS 30 2.266 5.593 0.140 214 HE3 LYS 30 HE2 LYS 30 1.967 5.483 -1.594 215 HZ1 LYS 30 HZ1 LYS 30 0.542 7.135 0.400 216 HZ2 LYS 30 HZ2 LYS 30 -0.087 6.838 -1.149 217 HZ3 LYS 30 HZ3 LYS 30 1.392 7.655 -0.972 218 H LYS 31 H LYS 31 -0.310 2.560 4.059 219 HA LYS 31 HA LYS 31 1.643 2.456 6.149 220 HB2 LYS 31 HB3 LYS 31 -1.244 1.728 5.871 221 HB3 LYS 31 HB2 LYS 31 -0.373 1.163 7.296 222 HG2 LYS 31 HG3 LYS 31 -0.067 3.288 8.129 223 HG3 LYS 31 HG2 LYS 31 0.004 4.015 6.526 224 HD2 LYS 31 HD3 LYS 31 -2.177 4.560 6.634 225 HD3 LYS 31 HD2 LYS 31 -2.619 2.884 6.941 226 HE2 LYS 31 HE3 LYS 31 -1.504 4.615 9.146 227 HE3 LYS 31 HE2 LYS 31 -3.221 4.653 8.743 228 HZ1 LYS 31 HZ1 LYS 31 -3.542 2.719 9.738 229 HZ2 LYS 31 HZ2 LYS 31 -1.967 2.836 10.364 230 HZ3 LYS 31 HZ3 LYS 31 -2.251 1.985 8.921 231 H ALA 32 H ALA 32 0.007 -0.079 4.290 232 HA ALA 32 HA ALA 32 1.109 -2.297 5.714 233 HB1 ALA 32 HB1 ALA 32 -0.015 -3.560 4.188 234 HB2 ALA 32 HB2 ALA 32 0.610 -2.644 2.818 235 HB3 ALA 32 HB3 ALA 32 -0.747 -2.018 3.757 236 H CYS 33 H CYS 33 2.545 -0.096 3.494 237 HA CYS 33 HA CYS 33 4.805 -1.988 3.017 238 HB2 CYS 33 HB3 CYS 33 3.474 -0.059 1.362 239 HB3 CYS 33 HB2 CYS 33 5.151 0.431 1.569 240 H GLY 34 H GLY 34 6.929 -0.387 2.701 241 HA2 GLY 34 HA3 GLY 34 7.421 0.539 5.414 242 HA3 GLY 34 HA2 GLY 34 8.578 0.599 4.082 243 H LEU 35 H LEU 35 5.662 1.946 3.104 244 HA LEU 35 HA LEU 35 6.809 4.604 3.004 245 HB2 LEU 35 HB3 LEU 35 3.906 3.827 2.598 246 HB3 LEU 35 HB2 LEU 35 4.709 5.282 2.009 247 HG LEU 35 HG LEU 35 5.102 2.433 1.098 248 HD11 LEU 35 HD11 LEU 35 3.389 3.622 -0.091 249 HD12 LEU 35 HD12 LEU 35 4.803 3.568 -1.139 250 HD13 LEU 35 HD13 LEU 35 4.414 5.046 -0.258 251 HD21 LEU 35 HD21 LEU 35 6.941 3.473 -0.366 252 HD22 LEU 35 HD22 LEU 35 7.346 3.179 1.326 253 HD23 LEU 35 HD23 LEU 35 6.938 4.809 0.785 254 H CYS 36 H CYS 36 4.386 2.994 5.044 255 HA CYS 36 HA CYS 36 4.833 5.087 7.091 256 HB2 CYS 36 HB3 CYS 36 2.448 4.896 5.436 257 HB3 CYS 36 HB2 CYS 36 2.064 4.757 7.151 Start of MODEL 26 1 HA VAL 1 HA VAL 1 -1.304 11.390 5.468 2 HB VAL 1 HB VAL 1 -3.507 11.661 6.639 3 HG11 VAL 1 HG11 VAL 1 -4.422 8.969 5.913 4 HG12 VAL 1 HG12 VAL 1 -4.465 10.101 4.561 5 HG13 VAL 1 HG13 VAL 1 -5.340 10.468 6.048 6 HG21 VAL 1 HG21 VAL 1 -2.737 8.797 7.019 7 HG22 VAL 1 HG22 VAL 1 -2.974 10.062 8.222 8 HG23 VAL 1 HG23 VAL 1 -1.493 10.018 7.271 9 H CYS 2 H CYS 2 -1.086 8.867 5.912 10 HA CYS 2 HA CYS 2 -1.030 7.579 3.222 11 HB2 CYS 2 HB3 CYS 2 0.355 5.992 5.112 12 HB3 CYS 2 HB2 CYS 2 1.062 7.003 3.850 13 H GLU 3 H GLU 3 -2.263 5.766 2.847 14 HA GLU 3 HA GLU 3 -3.150 4.063 5.025 15 HB2 GLU 3 HB3 GLU 3 -5.479 4.483 4.982 16 HB3 GLU 3 HB2 GLU 3 -4.736 6.081 5.066 17 HG2 GLU 3 HG3 GLU 3 -4.922 6.247 2.576 18 HG3 GLU 3 HG2 GLU 3 -5.792 4.710 2.573 19 H ASP 4 H ASP 4 -4.349 2.193 4.230 20 HA ASP 4 HA ASP 4 -3.298 1.293 1.708 21 HB2 ASP 4 HB3 ASP 4 -4.757 -0.707 2.140 22 HB3 ASP 4 HB2 ASP 4 -3.653 -0.316 3.458 23 H LEU 5 H LEU 5 -4.112 1.642 -0.267 24 HA LEU 5 HA LEU 5 -6.677 2.942 -0.657 25 HB2 LEU 5 HB3 LEU 5 -4.754 1.668 -2.630 26 HB3 LEU 5 HB2 LEU 5 -6.153 2.647 -3.077 27 HG LEU 5 HG LEU 5 -3.829 3.593 -1.366 28 HD11 LEU 5 HD11 LEU 5 -4.115 3.342 -4.192 29 HD12 LEU 5 HD12 LEU 5 -2.810 4.137 -3.303 30 HD13 LEU 5 HD13 LEU 5 -4.232 5.059 -3.802 31 HD21 LEU 5 HD21 LEU 5 -6.484 4.719 -2.133 32 HD22 LEU 5 HD22 LEU 5 -5.113 5.828 -2.130 33 HD23 LEU 5 HD23 LEU 5 -5.550 4.959 -0.657 34 H ASN 6 H ASN 6 -5.440 -0.358 -1.052 35 HA ASN 6 HA ASN 6 -8.184 -1.245 -1.810 36 HB2 ASN 6 HB3 ASN 6 -5.994 -1.906 -3.097 37 HB3 ASN 6 HB2 ASN 6 -5.768 -3.039 -1.765 38 HD21 ASN 6 HD21 ASN 6 -6.224 -4.952 -3.002 39 HD22 ASN 6 HD22 ASN 6 -7.762 -5.284 -3.642 40 H ALA 7 H ALA 7 -9.312 -2.662 -0.480 41 HA ALA 7 HA ALA 7 -8.549 -2.766 2.308 42 HB1 ALA 7 HB1 ALA 7 -10.851 -3.517 0.670 43 HB2 ALA 7 HB2 ALA 7 -10.797 -2.994 2.354 44 HB3 ALA 7 HB3 ALA 7 -10.527 -4.692 1.945 45 H HIS 8 H HIS 8 -7.654 -4.603 -0.402 46 HA HIS 8 HA HIS 8 -7.181 -7.088 1.124 47 HB2 HIS 8 HB3 HIS 8 -6.537 -6.327 -1.744 48 HB3 HIS 8 HB2 HIS 8 -6.265 -7.922 -1.043 49 HD2 HIS 8 HD2 HIS 8 -9.401 -7.410 0.607 50 HE1 HIS 8 HE1 HIS 8 -10.705 -8.202 -3.331 51 HE2 HIS 8 HE2 HIS 8 -11.432 -8.041 -0.906 52 H CYS 9 H CYS 9 -5.659 -4.166 0.910 53 HA CYS 9 HA CYS 9 -2.961 -4.613 0.368 54 HB2 CYS 9 HB3 CYS 9 -4.370 -2.881 2.376 55 HB3 CYS 9 HB2 CYS 9 -2.607 -2.963 2.380 56 H GLU 10 H GLU 10 -4.647 -5.250 3.452 57 HA GLU 10 HA GLU 10 -2.352 -6.249 4.826 58 HB2 GLU 10 HB3 GLU 10 -4.602 -5.627 5.844 59 HB3 GLU 10 HB2 GLU 10 -5.211 -7.170 5.242 60 HG2 GLU 10 HG3 GLU 10 -3.403 -8.336 6.506 61 HG3 GLU 10 HG2 GLU 10 -2.899 -6.780 7.169 62 H MET 11 H MET 11 -4.732 -7.782 2.707 63 HA MET 11 HA MET 11 -3.895 -10.486 3.112 64 HB2 MET 11 HB3 MET 11 -5.104 -9.195 0.650 65 HB3 MET 11 HB2 MET 11 -5.022 -10.927 0.958 66 HG2 MET 11 HG3 MET 11 -6.492 -8.885 2.647 67 HG3 MET 11 HG2 MET 11 -7.233 -10.081 1.585 68 HE1 MET 11 HE1 MET 11 -6.692 -12.437 1.621 69 HE2 MET 11 HE2 MET 11 -6.564 -13.424 3.072 70 HE3 MET 11 HE3 MET 11 -5.110 -12.740 2.353 71 H TRP 12 H TRP 12 -2.710 -7.918 0.994 72 HA TRP 12 HA TRP 12 -0.859 -9.759 -0.365 73 HB2 TRP 12 HB3 TRP 12 -1.002 -6.742 -0.517 74 HB3 TRP 12 HB2 TRP 12 -0.184 -7.814 -1.645 75 HD1 TRP 12 HD1 TRP 12 -2.764 -9.948 -1.478 76 HE1 TRP 12 HE1 TRP 12 -4.788 -9.385 -2.971 77 HE3 TRP 12 HE3 TRP 12 -1.886 -4.987 -2.323 78 HZ2 TRP 12 HZ2 TRP 12 -5.891 -7.127 -4.345 79 HZ3 TRP 12 HZ3 TRP 12 -3.436 -3.657 -3.726 80 HH2 TRP 12 HH2 TRP 12 -5.432 -4.720 -4.740 81 H GLN 13 H GLN 13 -0.626 -7.070 1.975 82 HA GLN 13 HA GLN 13 2.248 -7.110 2.082 83 HB2 GLN 13 HB3 GLN 13 2.051 -5.559 3.815 84 HB3 GLN 13 HB2 GLN 13 0.542 -5.318 2.931 85 HG2 GLN 13 HG3 GLN 13 -0.231 -5.505 5.130 86 HG3 GLN 13 HG2 GLN 13 -0.370 -7.170 4.563 87 HE21 GLN 13 HE21 GLN 13 0.045 -8.169 6.641 88 HE22 GLN 13 HE22 GLN 13 1.554 -8.057 7.407 89 H GLN 14 H GLN 14 -0.269 -8.850 3.823 90 HA GLN 14 HA GLN 14 1.450 -9.949 5.834 91 HB2 GLN 14 HB3 GLN 14 -0.354 -11.360 6.389 92 HB3 GLN 14 HB2 GLN 14 -1.138 -9.927 5.725 93 HG2 GLN 14 HG3 GLN 14 -1.115 -11.116 3.472 94 HG3 GLN 14 HG2 GLN 14 -0.656 -12.575 4.351 95 HE21 GLN 14 HE21 GLN 14 -2.908 -10.032 5.522 96 HE22 GLN 14 HE22 GLN 14 -4.269 -11.047 5.586 97 H LEU 15 H LEU 15 0.756 -10.782 2.508 98 HA LEU 15 HA LEU 15 2.175 -13.349 2.674 99 HB2 LEU 15 HB3 LEU 15 1.105 -11.762 0.326 100 HB3 LEU 15 HB2 LEU 15 1.834 -13.362 0.191 101 HG LEU 15 HG LEU 15 -0.633 -12.658 1.816 102 HD11 LEU 15 HD11 LEU 15 -0.685 -14.624 -0.409 103 HD12 LEU 15 HD12 LEU 15 -0.506 -12.931 -0.874 104 HD13 LEU 15 HD13 LEU 15 -1.900 -13.441 0.077 105 HD21 LEU 15 HD21 LEU 15 1.079 -15.108 1.585 106 HD22 LEU 15 HD22 LEU 15 -0.664 -15.326 1.733 107 HD23 LEU 15 HD23 LEU 15 0.227 -14.467 2.992 108 H GLY 16 H GLY 16 3.047 -10.105 2.491 109 HA2 GLY 16 HA3 GLY 16 5.343 -9.378 2.525 110 HA3 GLY 16 HA2 GLY 16 5.798 -10.868 1.704 111 H HIS 17 H HIS 17 3.069 -9.426 0.264 112 HA HIS 17 HA HIS 17 4.243 -9.054 -2.250 113 HB2 HIS 17 HB3 HIS 17 1.902 -7.647 -0.958 114 HB3 HIS 17 HB2 HIS 17 2.366 -7.356 -2.634 115 HD2 HIS 17 HD2 HIS 17 2.503 -10.965 -1.083 116 HE1 HIS 17 HE1 HIS 17 -0.487 -10.929 -4.064 117 HE2 HIS 17 HE2 HIS 17 0.826 -12.402 -2.472 118 H CYS 18 H CYS 18 4.350 -6.940 0.544 119 HA CYS 18 HA CYS 18 5.389 -4.659 -0.954 120 HB2 CYS 18 HB3 CYS 18 4.936 -5.360 1.913 121 HB3 CYS 18 HB2 CYS 18 6.155 -4.132 1.570 122 H GLN 19 H GLN 19 6.663 -7.291 1.010 123 HA GLN 19 HA GLN 19 9.433 -6.483 0.814 124 HB2 GLN 19 HB3 GLN 19 8.494 -8.023 2.568 125 HB3 GLN 19 HB2 GLN 19 8.293 -9.246 1.314 126 HG2 GLN 19 HG3 GLN 19 10.736 -9.112 0.837 127 HG3 GLN 19 HG2 GLN 19 10.907 -7.973 2.175 128 HE21 GLN 19 HE21 GLN 19 12.346 -10.307 2.454 129 HE22 GLN 19 HE22 GLN 19 11.609 -11.341 3.581 130 H TYR 20 H TYR 20 7.234 -8.403 -1.110 131 HA TYR 20 HA TYR 20 9.457 -9.248 -2.886 132 HB2 TYR 20 HB3 TYR 20 6.537 -10.052 -2.845 133 HB3 TYR 20 HB2 TYR 20 7.783 -10.759 -3.873 134 HD1 TYR 20 HD1 TYR 20 10.025 -11.389 -2.447 135 HD2 TYR 20 HD2 TYR 20 6.011 -11.261 -0.926 136 HE1 TYR 20 HE1 TYR 20 10.676 -12.916 -0.606 137 HE2 TYR 20 HE2 TYR 20 6.661 -12.793 0.915 138 HH TYR 20 HH TYR 20 8.418 -13.731 1.991 139 H SER 21 H SER 21 6.261 -7.630 -3.117 140 HA SER 21 HA SER 21 7.262 -6.380 -5.645 141 HB2 SER 21 HB3 SER 21 5.445 -8.254 -5.808 142 HB3 SER 21 HB2 SER 21 4.352 -7.009 -5.218 143 HG SER 21 HG SER 21 5.997 -6.109 -7.192 144 HA PRO 22 HA PRO 22 5.774 -3.164 -2.620 145 HB2 PRO 22 HB3 PRO 22 8.084 -1.673 -2.664 146 HB3 PRO 22 HB2 PRO 22 7.768 -2.975 -1.502 147 HG2 PRO 22 HG3 PRO 22 9.484 -2.961 -3.908 148 HG3 PRO 22 HG2 PRO 22 9.660 -3.861 -2.394 149 HD2 PRO 22 HD3 PRO 22 8.731 -4.937 -4.786 150 HD3 PRO 22 HD2 PRO 22 8.461 -5.644 -3.180 151 H LYS 23 H LYS 23 7.128 -3.208 -5.795 152 HA LYS 23 HA LYS 23 6.951 -0.477 -6.536 153 HB2 LYS 23 HB3 LYS 23 6.493 -2.962 -8.215 154 HB3 LYS 23 HB2 LYS 23 6.707 -1.340 -8.866 155 HG2 LYS 23 HG3 LYS 23 8.932 -1.227 -7.723 156 HG3 LYS 23 HG2 LYS 23 8.724 -2.908 -7.236 157 HD2 LYS 23 HD3 LYS 23 8.470 -3.529 -9.646 158 HD3 LYS 23 HD2 LYS 23 8.818 -1.856 -10.080 159 HE2 LYS 23 HE3 LYS 23 10.884 -3.092 -10.252 160 HE3 LYS 23 HE2 LYS 23 10.995 -2.077 -8.816 161 HZ1 LYS 23 HZ1 LYS 23 10.557 -3.899 -7.424 162 HZ2 LYS 23 HZ2 LYS 23 11.694 -4.470 -8.554 163 HZ3 LYS 23 HZ3 LYS 23 10.051 -4.883 -8.711 164 H TYR 24 H TYR 24 4.422 -2.944 -6.274 165 HA TYR 24 HA TYR 24 2.444 -0.969 -7.331 166 HB2 TYR 24 HB3 TYR 24 2.012 -3.902 -6.695 167 HB3 TYR 24 HB2 TYR 24 0.957 -2.850 -7.639 168 HD1 TYR 24 HD2 TYR 24 1.633 -2.092 -9.904 169 HD2 TYR 24 HD1 TYR 24 4.024 -4.836 -7.628 170 HE1 TYR 24 HE2 TYR 24 2.900 -2.686 -11.951 171 HE2 TYR 24 HE1 TYR 24 5.288 -5.433 -9.675 172 HH TYR 24 HH TYR 24 4.252 -4.537 -12.800 173 H MET 25 H MET 25 3.519 -2.513 -4.418 174 HA MET 25 HA MET 25 1.014 -2.145 -2.983 175 HB2 MET 25 HB3 MET 25 3.844 -2.629 -2.037 176 HB3 MET 25 HB2 MET 25 2.465 -2.520 -0.954 177 HG2 MET 25 HG3 MET 25 2.712 -4.494 -3.244 178 HG3 MET 25 HG2 MET 25 2.998 -4.880 -1.550 179 HE1 MET 25 HE1 MET 25 1.366 -5.262 0.181 180 HE2 MET 25 HE2 MET 25 -0.321 -4.756 0.180 181 HE3 MET 25 HE3 MET 25 0.950 -3.545 0.178 182 H GLY 26 H GLY 26 4.045 -0.347 -3.320 183 HA2 GLY 26 HA3 GLY 26 3.453 1.682 -1.412 184 HA3 GLY 26 HA2 GLY 26 4.558 1.872 -2.775 185 H HIS 27 H HIS 27 2.307 1.129 -4.651 186 HA HIS 27 HA HIS 27 1.271 3.871 -4.922 187 HB2 HIS 27 HB3 HIS 27 2.130 2.514 -6.876 188 HB3 HIS 27 HB2 HIS 27 0.715 1.477 -6.692 189 HD2 HIS 27 HD2 HIS 27 -1.716 2.612 -7.623 190 HE1 HIS 27 HE1 HIS 27 -0.077 6.314 -8.828 191 HE2 HIS 27 HE2 HIS 27 -2.156 4.861 -8.871 192 H TYR 28 H TYR 28 0.278 0.972 -3.490 193 HA TYR 28 HA TYR 28 -2.549 1.941 -3.476 194 HB2 TYR 28 HB3 TYR 28 -1.436 -0.818 -3.834 195 HB3 TYR 28 HB2 TYR 28 -3.008 -0.610 -3.058 196 HD1 TYR 28 HD2 TYR 28 -1.070 -0.070 -6.149 197 HD2 TYR 28 HD1 TYR 28 -4.938 0.191 -4.297 198 HE1 TYR 28 HE2 TYR 28 -2.111 0.264 -8.370 199 HE2 TYR 28 HE1 TYR 28 -5.979 0.524 -6.523 200 HH TYR 28 HH TYR 28 -4.095 1.149 -9.347 201 H CYS 29 H CYS 29 -0.176 -0.065 -1.708 202 HA CYS 29 HA CYS 29 -1.634 0.662 0.784 203 HB2 CYS 29 HB3 CYS 29 0.489 -1.454 0.601 204 HB3 CYS 29 HB2 CYS 29 -0.849 -1.323 1.739 205 H LYS 30 H LYS 30 -0.729 2.391 1.762 206 HA LYS 30 HA LYS 30 2.150 2.946 1.446 207 HB2 LYS 30 HB3 LYS 30 0.405 4.552 3.260 208 HB3 LYS 30 HB2 LYS 30 1.664 5.096 2.153 209 HG2 LYS 30 HG3 LYS 30 -1.111 4.129 1.404 210 HG3 LYS 30 HG2 LYS 30 -0.509 5.778 1.281 211 HD2 LYS 30 HD3 LYS 30 0.822 3.495 -0.195 212 HD3 LYS 30 HD2 LYS 30 -0.541 4.372 -0.880 213 HE2 LYS 30 HE3 LYS 30 2.127 5.533 -0.042 214 HE3 LYS 30 HE2 LYS 30 1.488 5.407 -1.681 215 HZ1 LYS 30 HZ1 LYS 30 -0.482 6.732 -0.512 216 HZ2 LYS 30 HZ2 LYS 30 0.836 7.506 -1.250 217 HZ3 LYS 30 HZ3 LYS 30 0.813 7.286 0.436 218 H LYS 31 H LYS 31 -0.136 2.506 4.160 219 HA LYS 31 HA LYS 31 1.872 2.315 6.189 220 HB2 LYS 31 HB3 LYS 31 -0.983 1.370 6.002 221 HB3 LYS 31 HB2 LYS 31 -0.009 1.104 7.447 222 HG2 LYS 31 HG3 LYS 31 0.155 3.371 7.927 223 HG3 LYS 31 HG2 LYS 31 -0.131 3.851 6.254 224 HD2 LYS 31 HD3 LYS 31 -2.241 4.279 6.938 225 HD3 LYS 31 HD2 LYS 31 -2.465 2.535 6.884 226 HE2 LYS 31 HE3 LYS 31 -1.727 4.225 9.283 227 HE3 LYS 31 HE2 LYS 31 -3.183 3.252 9.061 228 HZ1 LYS 31 HZ1 LYS 31 -0.478 2.056 9.020 229 HZ2 LYS 31 HZ2 LYS 31 -1.972 1.280 9.234 230 HZ3 LYS 31 HZ3 LYS 31 -1.341 2.263 10.463 231 H ALA 32 H ALA 32 0.034 -0.172 4.448 232 HA ALA 32 HA ALA 32 1.196 -2.436 5.660 233 HB1 ALA 32 HB1 ALA 32 -0.688 -2.062 3.747 234 HB2 ALA 32 HB2 ALA 32 0.055 -3.620 4.084 235 HB3 ALA 32 HB3 ALA 32 0.654 -2.632 2.754 236 H CYS 33 H CYS 33 2.514 -0.194 3.386 237 HA CYS 33 HA CYS 33 4.838 -2.000 2.913 238 HB2 CYS 33 HB3 CYS 33 3.378 -0.190 1.240 239 HB3 CYS 33 HB2 CYS 33 5.030 0.396 1.398 240 H GLY 34 H GLY 34 6.841 -0.237 2.489 241 HA2 GLY 34 HA3 GLY 34 7.284 0.835 5.183 242 HA3 GLY 34 HA2 GLY 34 8.468 0.792 3.876 243 H LEU 35 H LEU 35 5.218 2.200 3.543 244 HA LEU 35 HA LEU 35 6.588 4.791 2.991 245 HB2 LEU 35 HB3 LEU 35 3.704 4.054 2.450 246 HB3 LEU 35 HB2 LEU 35 4.597 5.423 1.794 247 HG LEU 35 HG LEU 35 4.965 2.493 1.167 248 HD11 LEU 35 HD11 LEU 35 3.351 3.535 -0.245 249 HD12 LEU 35 HD12 LEU 35 4.842 3.473 -1.184 250 HD13 LEU 35 HD13 LEU 35 4.340 4.982 -0.422 251 HD21 LEU 35 HD21 LEU 35 7.206 3.225 1.430 252 HD22 LEU 35 HD22 LEU 35 6.851 4.812 0.746 253 HD23 LEU 35 HD23 LEU 35 6.886 3.391 -0.297 254 H CYS 36 H CYS 36 4.386 3.205 5.155 255 HA CYS 36 HA CYS 36 4.547 5.413 7.042 256 HB2 CYS 36 HB3 CYS 36 2.405 5.389 5.136 257 HB3 CYS 36 HB2 CYS 36 1.741 5.081 6.739 Start of MODEL 27 1 HA VAL 1 HA VAL 1 -1.956 11.527 4.204 2 HB VAL 1 HB VAL 1 -4.168 12.491 3.696 3 HG11 VAL 1 HG11 VAL 1 -5.407 11.949 1.851 4 HG12 VAL 1 HG12 VAL 1 -4.870 10.270 1.855 5 HG13 VAL 1 HG13 VAL 1 -3.829 11.525 1.187 6 HG21 VAL 1 HG21 VAL 1 -4.995 9.693 3.755 7 HG22 VAL 1 HG22 VAL 1 -5.127 10.923 5.011 8 HG23 VAL 1 HG23 VAL 1 -3.636 9.999 4.841 9 H CYS 2 H CYS 2 -0.978 9.575 4.367 10 HA CYS 2 HA CYS 2 -1.051 7.755 2.006 11 HB2 CYS 2 HB3 CYS 2 0.756 6.570 3.532 12 HB3 CYS 2 HB2 CYS 2 1.188 8.004 2.602 13 H GLU 3 H GLU 3 -2.325 5.972 2.110 14 HA GLU 3 HA GLU 3 -2.751 4.535 4.608 15 HB2 GLU 3 HB3 GLU 3 -5.081 4.931 4.889 16 HB3 GLU 3 HB2 GLU 3 -4.371 6.526 4.656 17 HG2 GLU 3 HG3 GLU 3 -4.940 6.375 2.225 18 HG3 GLU 3 HG2 GLU 3 -5.768 4.851 2.550 19 H ASP 4 H ASP 4 -4.026 2.545 4.234 20 HA ASP 4 HA ASP 4 -3.305 1.216 1.854 21 HB2 ASP 4 HB3 ASP 4 -4.863 -0.551 2.555 22 HB3 ASP 4 HB2 ASP 4 -3.939 0.047 3.935 23 H LEU 5 H LEU 5 -4.333 0.847 -0.096 24 HA LEU 5 HA LEU 5 -6.741 2.537 -0.622 25 HB2 LEU 5 HB3 LEU 5 -4.624 1.435 -2.497 26 HB3 LEU 5 HB2 LEU 5 -6.030 2.364 -3.017 27 HG LEU 5 HG LEU 5 -3.904 3.341 -1.083 28 HD11 LEU 5 HD11 LEU 5 -4.013 3.274 -3.966 29 HD12 LEU 5 HD12 LEU 5 -2.737 3.907 -2.925 30 HD13 LEU 5 HD13 LEU 5 -4.075 4.948 -3.409 31 HD21 LEU 5 HD21 LEU 5 -5.696 4.631 -0.462 32 HD22 LEU 5 HD22 LEU 5 -6.549 4.360 -1.982 33 HD23 LEU 5 HD23 LEU 5 -5.243 5.542 -1.903 34 H ASN 6 H ASN 6 -5.430 -0.726 -0.901 35 HA ASN 6 HA ASN 6 -8.008 -1.633 -2.092 36 HB2 ASN 6 HB3 ASN 6 -5.687 -2.265 -3.056 37 HB3 ASN 6 HB2 ASN 6 -5.569 -3.352 -1.672 38 HD21 ASN 6 HD21 ASN 6 -6.600 -5.352 -1.863 39 HD22 ASN 6 HD22 ASN 6 -7.692 -5.761 -3.096 40 H ALA 7 H ALA 7 -9.317 -3.116 -0.978 41 HA ALA 7 HA ALA 7 -9.152 -3.159 1.880 42 HB1 ALA 7 HB1 ALA 7 -11.044 -4.609 1.814 43 HB2 ALA 7 HB2 ALA 7 -10.626 -5.205 0.207 44 HB3 ALA 7 HB3 ALA 7 -11.221 -3.556 0.412 45 H HIS 8 H HIS 8 -7.727 -5.157 -0.585 46 HA HIS 8 HA HIS 8 -7.030 -7.284 1.357 47 HB2 HIS 8 HB3 HIS 8 -6.442 -6.992 -1.602 48 HB3 HIS 8 HB2 HIS 8 -6.012 -8.393 -0.631 49 HD2 HIS 8 HD2 HIS 8 -9.202 -7.851 0.918 50 HE1 HIS 8 HE1 HIS 8 -10.376 -9.554 -2.764 51 HE2 HIS 8 HE2 HIS 8 -11.142 -8.975 -0.415 52 H CYS 9 H CYS 9 -5.921 -4.350 1.076 53 HA CYS 9 HA CYS 9 -3.207 -4.373 0.375 54 HB2 CYS 9 HB3 CYS 9 -4.948 -2.776 2.127 55 HB3 CYS 9 HB2 CYS 9 -3.247 -2.754 2.597 56 H GLU 10 H GLU 10 -4.545 -4.896 3.641 57 HA GLU 10 HA GLU 10 -2.090 -5.624 4.866 58 HB2 GLU 10 HB3 GLU 10 -4.960 -6.335 5.492 59 HB3 GLU 10 HB2 GLU 10 -3.613 -6.752 6.553 60 HG2 GLU 10 HG3 GLU 10 -4.249 -3.936 5.623 61 HG3 GLU 10 HG2 GLU 10 -4.743 -4.599 7.181 62 H MET 11 H MET 11 -4.559 -7.611 3.251 63 HA MET 11 HA MET 11 -3.419 -10.151 3.874 64 HB2 MET 11 HB3 MET 11 -4.987 -9.281 1.425 65 HB3 MET 11 HB2 MET 11 -4.688 -10.954 1.892 66 HG2 MET 11 HG3 MET 11 -6.191 -8.894 3.535 67 HG3 MET 11 HG2 MET 11 -6.910 -10.248 2.660 68 HE1 MET 11 HE1 MET 11 -6.129 -12.472 2.780 69 HE2 MET 11 HE2 MET 11 -5.900 -13.354 4.287 70 HE3 MET 11 HE3 MET 11 -4.507 -12.675 3.454 71 H TRP 12 H TRP 12 -2.787 -7.857 1.261 72 HA TRP 12 HA TRP 12 -0.978 -9.590 -0.173 73 HB2 TRP 12 HB3 TRP 12 -1.269 -6.581 -0.198 74 HB3 TRP 12 HB2 TRP 12 -0.363 -7.517 -1.378 75 HD1 TRP 12 HD1 TRP 12 -2.910 -9.829 -1.033 76 HE1 TRP 12 HE1 TRP 12 -4.924 -9.409 -2.583 77 HE3 TRP 12 HE3 TRP 12 -2.084 -4.940 -2.234 78 HZ2 TRP 12 HZ2 TRP 12 -6.039 -7.276 -4.127 79 HZ3 TRP 12 HZ3 TRP 12 -3.637 -3.734 -3.746 80 HH2 TRP 12 HH2 TRP 12 -5.612 -4.899 -4.693 81 H GLN 13 H GLN 13 -0.487 -6.961 2.185 82 HA GLN 13 HA GLN 13 2.377 -7.072 2.030 83 HB2 GLN 13 HB3 GLN 13 2.353 -5.490 3.710 84 HB3 GLN 13 HB2 GLN 13 0.704 -5.316 3.110 85 HG2 GLN 13 HG3 GLN 13 0.347 -5.520 5.406 86 HG3 GLN 13 HG2 GLN 13 0.157 -7.182 4.870 87 HE21 GLN 13 HE21 GLN 13 0.972 -8.261 6.737 88 HE22 GLN 13 HE22 GLN 13 2.561 -8.070 7.300 89 H GLN 14 H GLN 14 -0.029 -8.770 3.994 90 HA GLN 14 HA GLN 14 1.897 -10.010 5.737 91 HB2 GLN 14 HB3 GLN 14 0.106 -11.092 6.677 92 HB3 GLN 14 HB2 GLN 14 -0.777 -9.833 5.817 93 HG2 GLN 14 HG3 GLN 14 -0.847 -11.486 3.846 94 HG3 GLN 14 HG2 GLN 14 -0.373 -12.712 5.018 95 HE21 GLN 14 HE21 GLN 14 -2.321 -10.046 6.177 96 HE22 GLN 14 HE22 GLN 14 -3.774 -10.907 6.324 97 H LEU 15 H LEU 15 0.643 -10.755 2.539 98 HA LEU 15 HA LEU 15 1.881 -13.409 2.472 99 HB2 LEU 15 HB3 LEU 15 0.717 -11.647 0.294 100 HB3 LEU 15 HB2 LEU 15 1.324 -13.280 0.018 101 HG LEU 15 HG LEU 15 -0.886 -12.564 1.964 102 HD11 LEU 15 HD11 LEU 15 -1.638 -14.281 -0.241 103 HD12 LEU 15 HD12 LEU 15 -0.981 -12.757 -0.847 104 HD13 LEU 15 HD13 LEU 15 -2.352 -12.746 0.263 105 HD21 LEU 15 HD21 LEU 15 -1.160 -15.182 1.592 106 HD22 LEU 15 HD22 LEU 15 -0.039 -14.549 2.799 107 HD23 LEU 15 HD23 LEU 15 0.561 -15.071 1.224 108 H GLY 16 H GLY 16 3.026 -10.242 2.301 109 HA2 GLY 16 HA3 GLY 16 5.386 -9.761 2.143 110 HA3 GLY 16 HA2 GLY 16 5.594 -11.231 1.193 111 H HIS 17 H HIS 17 2.904 -9.345 0.205 112 HA HIS 17 HA HIS 17 3.872 -8.949 -2.415 113 HB2 HIS 17 HB3 HIS 17 1.778 -7.469 -0.819 114 HB3 HIS 17 HB2 HIS 17 2.103 -7.104 -2.515 115 HD2 HIS 17 HD2 HIS 17 2.110 -10.798 -1.148 116 HE1 HIS 17 HE1 HIS 17 -1.098 -10.396 -3.864 117 HE2 HIS 17 HE2 HIS 17 0.215 -12.036 -2.440 118 H CYS 18 H CYS 18 4.355 -7.011 0.481 119 HA CYS 18 HA CYS 18 5.445 -4.730 -0.967 120 HB2 CYS 18 HB3 CYS 18 5.257 -5.570 1.903 121 HB3 CYS 18 HB2 CYS 18 6.456 -4.350 1.469 122 H GLN 19 H GLN 19 6.707 -7.587 0.671 123 HA GLN 19 HA GLN 19 9.486 -6.921 0.269 124 HB2 GLN 19 HB3 GLN 19 8.619 -8.576 1.960 125 HB3 GLN 19 HB2 GLN 19 8.259 -9.666 0.621 126 HG2 GLN 19 HG3 GLN 19 10.645 -9.569 -0.071 127 HG3 GLN 19 HG2 GLN 19 10.989 -8.554 1.331 128 HE21 GLN 19 HE21 GLN 19 8.673 -10.407 2.592 129 HE22 GLN 19 HE22 GLN 19 9.574 -11.734 3.146 130 H TYR 20 H TYR 20 7.036 -8.641 -1.575 131 HA TYR 20 HA TYR 20 9.027 -9.418 -3.615 132 HB2 TYR 20 HB3 TYR 20 6.067 -10.001 -3.341 133 HB3 TYR 20 HB2 TYR 20 7.090 -10.620 -4.643 134 HD1 TYR 20 HD2 TYR 20 9.406 -11.689 -3.745 135 HD2 TYR 20 HD1 TYR 20 5.758 -11.380 -1.500 136 HE1 TYR 20 HE2 TYR 20 10.163 -13.524 -2.263 137 HE2 TYR 20 HE1 TYR 20 6.517 -13.215 -0.016 138 HH TYR 20 HH TYR 20 8.049 -15.037 0.018 139 H SER 21 H SER 21 6.022 -7.452 -3.427 140 HA SER 21 HA SER 21 7.010 -6.053 -5.877 141 HB2 SER 21 HB3 SER 21 4.896 -7.729 -5.966 142 HB3 SER 21 HB2 SER 21 4.072 -6.244 -5.500 143 HG SER 21 HG SER 21 5.344 -6.931 -7.853 144 HA PRO 22 HA PRO 22 5.965 -3.043 -2.451 145 HB2 PRO 22 HB3 PRO 22 8.356 -1.686 -2.593 146 HB3 PRO 22 HB2 PRO 22 8.058 -3.049 -1.499 147 HG2 PRO 22 HG3 PRO 22 9.516 -2.980 -4.082 148 HG3 PRO 22 HG2 PRO 22 9.834 -3.935 -2.625 149 HD2 PRO 22 HD3 PRO 22 8.639 -4.962 -4.876 150 HD3 PRO 22 HD2 PRO 22 8.381 -5.612 -3.244 151 H LYS 23 H LYS 23 7.220 -2.886 -5.682 152 HA LYS 23 HA LYS 23 7.038 -0.107 -6.204 153 HB2 LYS 23 HB3 LYS 23 8.066 -1.788 -7.734 154 HB3 LYS 23 HB2 LYS 23 6.444 -2.355 -8.144 155 HG2 LYS 23 HG3 LYS 23 5.857 -0.040 -8.862 156 HG3 LYS 23 HG2 LYS 23 7.525 0.444 -8.556 157 HD2 LYS 23 HD3 LYS 23 8.256 -1.347 -10.175 158 HD3 LYS 23 HD2 LYS 23 6.554 -1.586 -10.582 159 HE2 LYS 23 HE3 LYS 23 7.820 0.013 -12.106 160 HE3 LYS 23 HE2 LYS 23 6.338 0.657 -11.392 161 HZ1 LYS 23 HZ1 LYS 23 8.461 2.067 -11.285 162 HZ2 LYS 23 HZ2 LYS 23 8.935 1.010 -10.040 163 HZ3 LYS 23 HZ3 LYS 23 7.516 1.929 -9.883 164 H TYR 24 H TYR 24 4.492 -2.598 -6.176 165 HA TYR 24 HA TYR 24 2.556 -0.479 -7.008 166 HB2 TYR 24 HB3 TYR 24 2.057 -3.452 -6.725 167 HB3 TYR 24 HB2 TYR 24 1.041 -2.270 -7.552 168 HD1 TYR 24 HD2 TYR 24 4.336 -3.994 -7.648 169 HD2 TYR 24 HD1 TYR 24 1.498 -1.577 -9.780 170 HE1 TYR 24 HE2 TYR 24 5.610 -4.350 -9.747 171 HE2 TYR 24 HE1 TYR 24 2.772 -1.930 -11.879 172 HH TYR 24 HH TYR 24 4.852 -4.280 -12.381 173 H MET 25 H MET 25 3.549 -2.449 -4.302 174 HA MET 25 HA MET 25 1.086 -2.182 -2.798 175 HB2 MET 25 HB3 MET 25 3.951 -2.594 -1.905 176 HB3 MET 25 HB2 MET 25 2.565 -2.645 -0.822 177 HG2 MET 25 HG3 MET 25 2.897 -4.412 -3.264 178 HG3 MET 25 HG2 MET 25 3.256 -4.915 -1.613 179 HE1 MET 25 HE1 MET 25 1.936 -4.430 0.179 180 HE2 MET 25 HE2 MET 25 0.601 -5.574 0.227 181 HE3 MET 25 HE3 MET 25 0.269 -3.848 0.191 182 H GLY 26 H GLY 26 4.103 -0.334 -2.999 183 HA2 GLY 26 HA3 GLY 26 3.427 1.626 -1.040 184 HA3 GLY 26 HA2 GLY 26 4.582 1.864 -2.355 185 H HIS 27 H HIS 27 2.485 1.173 -4.365 186 HA HIS 27 HA HIS 27 1.377 3.882 -4.612 187 HB2 HIS 27 HB3 HIS 27 2.336 2.613 -6.561 188 HB3 HIS 27 HB2 HIS 27 0.981 1.490 -6.431 189 HD2 HIS 27 HD2 HIS 27 -1.535 2.558 -7.241 190 HE1 HIS 27 HE1 HIS 27 -0.005 6.227 -8.665 191 HE2 HIS 27 HE2 HIS 27 -2.063 4.752 -8.548 192 H TYR 28 H TYR 28 0.380 0.841 -3.402 193 HA TYR 28 HA TYR 28 -2.459 1.777 -3.414 194 HB2 TYR 28 HB3 TYR 28 -1.247 -0.932 -3.794 195 HB3 TYR 28 HB2 TYR 28 -2.853 -0.800 -3.066 196 HD1 TYR 28 HD2 TYR 28 -0.827 -0.089 -6.073 197 HD2 TYR 28 HD1 TYR 28 -4.756 -0.027 -4.339 198 HE1 TYR 28 HE2 TYR 28 -1.808 0.294 -8.315 199 HE2 TYR 28 HE1 TYR 28 -5.738 0.359 -6.584 200 HH TYR 28 HH TYR 28 -4.462 -0.289 -9.282 201 H CYS 29 H CYS 29 -0.121 -0.222 -1.593 202 HA CYS 29 HA CYS 29 -1.634 0.535 0.863 203 HB2 CYS 29 HB3 CYS 29 0.397 -1.681 0.679 204 HB3 CYS 29 HB2 CYS 29 -0.887 -1.463 1.863 205 H LYS 30 H LYS 30 -0.685 2.235 1.848 206 HA LYS 30 HA LYS 30 2.220 2.674 1.570 207 HB2 LYS 30 HB3 LYS 30 0.548 4.368 3.356 208 HB3 LYS 30 HB2 LYS 30 1.806 4.847 2.217 209 HG2 LYS 30 HG3 LYS 30 -0.979 3.903 1.465 210 HG3 LYS 30 HG2 LYS 30 -0.434 5.576 1.448 211 HD2 LYS 30 HD3 LYS 30 1.094 3.508 -0.113 212 HD3 LYS 30 HD2 LYS 30 -0.393 4.179 -0.775 213 HE2 LYS 30 HE3 LYS 30 1.970 5.823 0.178 214 HE3 LYS 30 HE2 LYS 30 1.609 5.456 -1.508 215 HZ1 LYS 30 HZ1 LYS 30 0.719 7.621 -0.228 216 HZ2 LYS 30 HZ2 LYS 30 -0.590 6.566 0.011 217 HZ3 LYS 30 HZ3 LYS 30 -0.062 6.924 -1.563 218 H LYS 31 H LYS 31 -0.117 2.432 4.249 219 HA LYS 31 HA LYS 31 1.806 2.198 6.341 220 HB2 LYS 31 HB3 LYS 31 -1.040 1.209 6.072 221 HB3 LYS 31 HB2 LYS 31 -0.127 1.128 7.576 222 HG2 LYS 31 HG3 LYS 31 -0.022 3.457 7.795 223 HG3 LYS 31 HG2 LYS 31 -0.321 3.726 6.078 224 HD2 LYS 31 HD3 LYS 31 -2.426 4.214 6.833 225 HD3 LYS 31 HD2 LYS 31 -2.618 2.468 6.727 226 HE2 LYS 31 HE3 LYS 31 -1.695 3.915 9.223 227 HE3 LYS 31 HE2 LYS 31 -3.364 3.425 8.924 228 HZ1 LYS 31 HZ1 LYS 31 -2.545 1.641 10.087 229 HZ2 LYS 31 HZ2 LYS 31 -0.993 1.752 9.404 230 HZ3 LYS 31 HZ3 LYS 31 -2.284 1.128 8.491 231 H ALA 32 H ALA 32 -0.009 -0.265 4.543 232 HA ALA 32 HA ALA 32 1.078 -2.541 5.811 233 HB1 ALA 32 HB1 ALA 32 -0.726 -2.150 3.813 234 HB2 ALA 32 HB2 ALA 32 -0.043 -3.718 4.220 235 HB3 ALA 32 HB3 ALA 32 0.643 -2.778 2.895 236 H CYS 33 H CYS 33 2.509 -0.309 3.589 237 HA CYS 33 HA CYS 33 4.825 -2.153 3.215 238 HB2 CYS 33 HB3 CYS 33 3.479 -0.402 1.422 239 HB3 CYS 33 HB2 CYS 33 5.070 0.285 1.714 240 H GLY 34 H GLY 34 6.904 -0.457 2.913 241 HA2 GLY 34 HA3 GLY 34 7.213 0.602 5.625 242 HA3 GLY 34 HA2 GLY 34 8.460 0.561 4.383 243 H LEU 35 H LEU 35 5.269 1.983 3.805 244 HA LEU 35 HA LEU 35 6.647 4.551 3.282 245 HB2 LEU 35 HB3 LEU 35 3.741 3.812 2.839 246 HB3 LEU 35 HB2 LEU 35 4.570 5.233 2.208 247 HG LEU 35 HG LEU 35 4.943 2.345 1.439 248 HD11 LEU 35 HD11 LEU 35 4.379 4.932 -0.014 249 HD12 LEU 35 HD12 LEU 35 3.357 3.504 0.084 250 HD13 LEU 35 HD13 LEU 35 4.846 3.455 -0.853 251 HD21 LEU 35 HD21 LEU 35 6.885 4.639 1.161 252 HD22 LEU 35 HD22 LEU 35 6.891 3.290 0.028 253 HD23 LEU 35 HD23 LEU 35 7.199 3.002 1.741 254 H CYS 36 H CYS 36 3.461 3.886 4.748 255 HA CYS 36 HA CYS 36 4.202 5.866 6.863 256 HB2 CYS 36 HB3 CYS 36 1.715 5.484 5.251 257 HB3 CYS 36 HB2 CYS 36 1.548 6.042 6.913 Start of MODEL 28 1 HA VAL 1 HA VAL 1 -1.383 11.724 3.944 2 HB VAL 1 HB VAL 1 -3.248 11.060 5.165 3 HG11 VAL 1 HG11 VAL 1 -4.666 12.666 3.040 4 HG12 VAL 1 HG12 VAL 1 -3.461 13.401 4.096 5 HG13 VAL 1 HG13 VAL 1 -4.920 12.690 4.785 6 HG21 VAL 1 HG21 VAL 1 -5.388 10.325 3.882 7 HG22 VAL 1 HG22 VAL 1 -4.037 9.192 3.946 8 HG23 VAL 1 HG23 VAL 1 -4.317 10.151 2.490 9 H CYS 2 H CYS 2 -1.059 9.475 4.713 10 HA CYS 2 HA CYS 2 -0.777 7.618 2.392 11 HB2 CYS 2 HB3 CYS 2 0.948 6.516 3.718 12 HB3 CYS 2 HB2 CYS 2 1.268 8.247 3.711 13 H GLU 3 H GLU 3 -2.132 5.866 2.313 14 HA GLU 3 HA GLU 3 -2.971 4.482 4.734 15 HB2 GLU 3 HB3 GLU 3 -5.310 4.940 4.670 16 HB3 GLU 3 HB2 GLU 3 -4.518 6.513 4.572 17 HG2 GLU 3 HG3 GLU 3 -4.708 6.383 2.069 18 HG3 GLU 3 HG2 GLU 3 -5.663 4.913 2.266 19 H ASP 4 H ASP 4 -4.245 2.531 4.222 20 HA ASP 4 HA ASP 4 -3.324 1.189 1.883 21 HB2 ASP 4 HB3 ASP 4 -4.994 -0.556 2.477 22 HB3 ASP 4 HB2 ASP 4 -4.036 -0.050 3.867 23 H LEU 5 H LEU 5 -4.211 0.958 -0.164 24 HA LEU 5 HA LEU 5 -6.648 2.591 -0.715 25 HB2 LEU 5 HB3 LEU 5 -4.480 1.539 -2.559 26 HB3 LEU 5 HB2 LEU 5 -5.882 2.466 -3.094 27 HG LEU 5 HG LEU 5 -3.815 3.428 -1.092 28 HD11 LEU 5 HD11 LEU 5 -3.858 3.416 -3.986 29 HD12 LEU 5 HD12 LEU 5 -2.597 4.002 -2.901 30 HD13 LEU 5 HD13 LEU 5 -3.911 5.073 -3.384 31 HD21 LEU 5 HD21 LEU 5 -5.104 5.643 -1.846 32 HD22 LEU 5 HD22 LEU 5 -5.702 4.645 -0.523 33 HD23 LEU 5 HD23 LEU 5 -6.411 4.495 -2.130 34 H ASN 6 H ASN 6 -5.309 -0.646 -0.931 35 HA ASN 6 HA ASN 6 -7.820 -1.588 -2.236 36 HB2 ASN 6 HB3 ASN 6 -5.536 -2.224 -3.169 37 HB3 ASN 6 HB2 ASN 6 -5.317 -3.201 -1.717 38 HD21 ASN 6 HD21 ASN 6 -7.401 -2.810 -4.595 39 HD22 ASN 6 HD22 ASN 6 -8.012 -4.393 -4.564 40 H ALA 7 H ALA 7 -9.158 -3.075 -1.173 41 HA ALA 7 HA ALA 7 -9.123 -3.110 1.693 42 HB1 ALA 7 HB1 ALA 7 -10.640 -4.589 -0.431 43 HB2 ALA 7 HB2 ALA 7 -11.247 -3.512 0.826 44 HB3 ALA 7 HB3 ALA 7 -10.738 -5.150 1.238 45 H HIS 8 H HIS 8 -7.666 -5.171 -0.720 46 HA HIS 8 HA HIS 8 -7.008 -7.251 1.285 47 HB2 HIS 8 HB3 HIS 8 -6.407 -7.014 -1.677 48 HB3 HIS 8 HB2 HIS 8 -5.922 -8.380 -0.678 49 HD2 HIS 8 HD2 HIS 8 -9.147 -7.945 0.857 50 HE1 HIS 8 HE1 HIS 8 -10.218 -9.772 -2.796 51 HE2 HIS 8 HE2 HIS 8 -11.023 -9.186 -0.462 52 H CYS 9 H CYS 9 -5.883 -4.330 0.957 53 HA CYS 9 HA CYS 9 -3.162 -4.373 0.288 54 HB2 CYS 9 HB3 CYS 9 -4.918 -2.738 1.994 55 HB3 CYS 9 HB2 CYS 9 -3.220 -2.703 2.471 56 H GLU 10 H GLU 10 -4.526 -4.819 3.561 57 HA GLU 10 HA GLU 10 -2.074 -5.534 4.795 58 HB2 GLU 10 HB3 GLU 10 -4.949 -6.187 5.454 59 HB3 GLU 10 HB2 GLU 10 -3.607 -6.657 6.501 60 HG2 GLU 10 HG3 GLU 10 -2.891 -4.255 6.566 61 HG3 GLU 10 HG2 GLU 10 -4.341 -3.839 5.650 62 H MET 11 H MET 11 -4.510 -7.542 3.152 63 HA MET 11 HA MET 11 -3.352 -10.060 3.853 64 HB2 MET 11 HB3 MET 11 -4.896 -9.290 1.354 65 HB3 MET 11 HB2 MET 11 -4.571 -10.940 1.887 66 HG2 MET 11 HG3 MET 11 -6.127 -8.864 3.454 67 HG3 MET 11 HG2 MET 11 -6.824 -10.228 2.580 68 HE1 MET 11 HE1 MET 11 -5.887 -13.312 4.304 69 HE2 MET 11 HE2 MET 11 -4.535 -12.672 3.376 70 HE3 MET 11 HE3 MET 11 -6.180 -12.461 2.782 71 H TRP 12 H TRP 12 -2.704 -7.785 1.229 72 HA TRP 12 HA TRP 12 -0.878 -9.517 -0.177 73 HB2 TRP 12 HB3 TRP 12 -1.163 -6.507 -0.210 74 HB3 TRP 12 HB2 TRP 12 -0.254 -7.450 -1.382 75 HD1 TRP 12 HD1 TRP 12 -2.781 -9.771 -0.999 76 HE1 TRP 12 HE1 TRP 12 -4.789 -9.399 -2.563 77 HE3 TRP 12 HE3 TRP 12 -1.992 -4.898 -2.295 78 HZ2 TRP 12 HZ2 TRP 12 -5.920 -7.309 -4.156 79 HZ3 TRP 12 HZ3 TRP 12 -3.548 -3.744 -3.836 80 HH2 TRP 12 HH2 TRP 12 -5.509 -4.941 -4.768 81 H GLN 13 H GLN 13 -0.393 -6.911 2.196 82 HA GLN 13 HA GLN 13 2.477 -7.035 2.082 83 HB2 GLN 13 HB3 GLN 13 2.427 -5.458 3.770 84 HB3 GLN 13 HB2 GLN 13 0.794 -5.270 3.130 85 HG2 GLN 13 HG3 GLN 13 0.389 -5.483 5.420 86 HG3 GLN 13 HG2 GLN 13 0.189 -7.140 4.865 87 HE21 GLN 13 HE21 GLN 13 1.008 -8.323 6.651 88 HE22 GLN 13 HE22 GLN 13 2.578 -8.124 7.271 89 H GLN 14 H GLN 14 0.033 -8.719 4.012 90 HA GLN 14 HA GLN 14 1.922 -9.978 5.782 91 HB2 GLN 14 HB3 GLN 14 0.095 -10.997 6.715 92 HB3 GLN 14 HB2 GLN 14 -0.760 -9.757 5.804 93 HG2 GLN 14 HG3 GLN 14 -0.788 -11.480 3.880 94 HG3 GLN 14 HG2 GLN 14 -0.389 -12.666 5.121 95 HE21 GLN 14 HE21 GLN 14 -2.264 -9.974 6.244 96 HE22 GLN 14 HE22 GLN 14 -3.763 -10.767 6.302 97 H LEU 15 H LEU 15 0.727 -10.672 2.566 98 HA LEU 15 HA LEU 15 1.924 -13.349 2.488 99 HB2 LEU 15 HB3 LEU 15 0.750 -11.551 0.354 100 HB3 LEU 15 HB2 LEU 15 1.376 -13.168 0.028 101 HG LEU 15 HG LEU 15 -0.830 -12.530 2.005 102 HD11 LEU 15 HD11 LEU 15 -1.549 -14.178 -0.270 103 HD12 LEU 15 HD12 LEU 15 -0.932 -12.614 -0.799 104 HD13 LEU 15 HD13 LEU 15 -2.301 -12.690 0.309 105 HD21 LEU 15 HD21 LEU 15 0.746 -14.938 1.322 106 HD22 LEU 15 HD22 LEU 15 -1.000 -15.185 1.393 107 HD23 LEU 15 HD23 LEU 15 -0.140 -14.555 2.799 108 H GLY 16 H GLY 16 3.109 -10.209 2.374 109 HA2 GLY 16 HA3 GLY 16 5.452 -9.712 2.171 110 HA3 GLY 16 HA2 GLY 16 5.660 -11.186 1.232 111 H HIS 17 H HIS 17 2.961 -9.326 0.230 112 HA HIS 17 HA HIS 17 3.952 -8.926 -2.390 113 HB2 HIS 17 HB3 HIS 17 1.789 -7.517 -0.831 114 HB3 HIS 17 HB2 HIS 17 2.126 -7.138 -2.519 115 HD2 HIS 17 HD2 HIS 17 2.122 -10.843 -1.122 116 HE1 HIS 17 HE1 HIS 17 -1.009 -10.459 -3.929 117 HE2 HIS 17 HE2 HIS 17 0.242 -12.086 -2.435 118 H CYS 18 H CYS 18 4.335 -6.967 0.510 119 HA CYS 18 HA CYS 18 5.339 -4.633 -0.922 120 HB2 CYS 18 HB3 CYS 18 5.129 -5.499 1.930 121 HB3 CYS 18 HB2 CYS 18 6.338 -4.276 1.545 122 H GLN 19 H GLN 19 6.711 -7.411 0.755 123 HA GLN 19 HA GLN 19 9.462 -6.627 0.340 124 HB2 GLN 19 HB3 GLN 19 8.622 -8.231 2.110 125 HB3 GLN 19 HB2 GLN 19 8.382 -9.413 0.822 126 HG2 GLN 19 HG3 GLN 19 10.785 -9.178 0.205 127 HG3 GLN 19 HG2 GLN 19 10.999 -8.089 1.576 128 HE21 GLN 19 HE21 GLN 19 8.742 -10.118 2.758 129 HE22 GLN 19 HE22 GLN 19 9.725 -11.328 3.425 130 H TYR 20 H TYR 20 7.086 -8.504 -1.438 131 HA TYR 20 HA TYR 20 9.130 -9.253 -3.450 132 HB2 TYR 20 HB3 TYR 20 6.233 -10.071 -3.113 133 HB3 TYR 20 HB2 TYR 20 7.298 -10.665 -4.388 134 HD1 TYR 20 HD1 TYR 20 9.719 -11.447 -3.429 135 HD2 TYR 20 HD2 TYR 20 6.027 -11.421 -1.231 136 HE1 TYR 20 HE1 TYR 20 10.637 -13.141 -1.865 137 HE2 TYR 20 HE2 TYR 20 6.946 -13.114 0.332 138 HH TYR 20 HH TYR 20 8.988 -14.013 1.075 139 H SER 21 H SER 21 5.977 -7.548 -3.299 140 HA SER 21 HA SER 21 6.757 -6.250 -5.885 141 HB2 SER 21 HB3 SER 21 4.685 -7.968 -5.647 142 HB3 SER 21 HB2 SER 21 3.870 -6.467 -5.227 143 HG SER 21 HG SER 21 5.468 -6.015 -7.305 144 HA PRO 22 HA PRO 22 5.966 -3.053 -2.550 145 HB2 PRO 22 HB3 PRO 22 8.323 -1.699 -2.978 146 HB3 PRO 22 HB2 PRO 22 8.136 -2.995 -1.784 147 HG2 PRO 22 HG3 PRO 22 9.366 -3.064 -4.479 148 HG3 PRO 22 HG2 PRO 22 9.816 -3.935 -3.005 149 HD2 PRO 22 HD3 PRO 22 8.444 -5.087 -5.092 150 HD3 PRO 22 HD2 PRO 22 8.334 -5.655 -3.413 151 H LYS 23 H LYS 23 6.969 -3.074 -5.869 152 HA LYS 23 HA LYS 23 6.732 -0.329 -6.531 153 HB2 LYS 23 HB3 LYS 23 6.119 -2.772 -8.221 154 HB3 LYS 23 HB2 LYS 23 6.320 -1.135 -8.846 155 HG2 LYS 23 HG3 LYS 23 8.621 -1.086 -7.897 156 HG3 LYS 23 HG2 LYS 23 8.413 -2.758 -7.372 157 HD2 LYS 23 HD3 LYS 23 8.020 -3.436 -9.726 158 HD3 LYS 23 HD2 LYS 23 8.267 -1.766 -10.236 159 HE2 LYS 23 HE3 LYS 23 10.272 -3.507 -10.275 160 HE3 LYS 23 HE2 LYS 23 10.543 -1.825 -9.819 161 HZ1 LYS 23 HZ1 LYS 23 10.349 -2.428 -7.512 162 HZ2 LYS 23 HZ2 LYS 23 11.534 -3.399 -8.249 163 HZ3 LYS 23 HZ3 LYS 23 9.994 -4.036 -7.917 164 H TYR 24 H TYR 24 4.232 -2.838 -6.185 165 HA TYR 24 HA TYR 24 2.206 -0.800 -6.995 166 HB2 TYR 24 HB3 TYR 24 1.778 -3.753 -6.478 167 HB3 TYR 24 HB2 TYR 24 0.679 -2.638 -7.290 168 HD1 TYR 24 HD1 TYR 24 3.921 -4.409 -7.559 169 HD2 TYR 24 HD2 TYR 24 0.987 -2.023 -9.594 170 HE1 TYR 24 HE1 TYR 24 5.011 -4.916 -9.726 171 HE2 TYR 24 HE2 TYR 24 2.080 -2.527 -11.761 172 HH TYR 24 HH TYR 24 3.884 -4.879 -12.401 173 H MET 25 H MET 25 3.435 -2.545 -4.223 174 HA MET 25 HA MET 25 1.033 -2.165 -2.618 175 HB2 MET 25 HB3 MET 25 3.917 -2.627 -1.799 176 HB3 MET 25 HB2 MET 25 2.552 -2.612 -0.687 177 HG2 MET 25 HG3 MET 25 2.853 -4.487 -3.048 178 HG3 MET 25 HG2 MET 25 3.158 -4.920 -1.369 179 HE1 MET 25 HE1 MET 25 0.870 -5.706 0.352 180 HE2 MET 25 HE2 MET 25 -0.100 -4.238 0.382 181 HE3 MET 25 HE3 MET 25 1.654 -4.124 0.388 182 H GLY 26 H GLY 26 4.145 -0.459 -2.926 183 HA2 GLY 26 HA3 GLY 26 3.592 1.606 -1.053 184 HA3 GLY 26 HA2 GLY 26 4.715 1.753 -2.408 185 H HIS 27 H HIS 27 2.521 1.086 -4.338 186 HA HIS 27 HA HIS 27 1.507 3.836 -4.585 187 HB2 HIS 27 HB3 HIS 27 2.416 2.554 -6.551 188 HB3 HIS 27 HB2 HIS 27 1.023 1.477 -6.419 189 HD2 HIS 27 HD2 HIS 27 -1.423 2.572 -7.319 190 HE1 HIS 27 HE1 HIS 27 0.125 6.331 -8.459 191 HE2 HIS 27 HE2 HIS 27 -1.918 4.826 -8.530 192 H TYR 28 H TYR 28 0.396 0.797 -3.424 193 HA TYR 28 HA TYR 28 -2.409 1.832 -3.447 194 HB2 TYR 28 HB3 TYR 28 -1.274 -0.912 -3.819 195 HB3 TYR 28 HB2 TYR 28 -2.871 -0.741 -3.082 196 HD1 TYR 28 HD2 TYR 28 -0.846 -0.007 -6.099 197 HD2 TYR 28 HD1 TYR 28 -4.776 -0.031 -4.361 198 HE1 TYR 28 HE2 TYR 28 -1.840 0.374 -8.341 199 HE2 TYR 28 HE1 TYR 28 -5.769 0.354 -6.605 200 HH TYR 28 HH TYR 28 -5.259 0.135 -8.901 201 H CYS 29 H CYS 29 -0.105 -0.168 -1.597 202 HA CYS 29 HA CYS 29 -1.647 0.561 0.849 203 HB2 CYS 29 HB3 CYS 29 0.422 -1.624 0.688 204 HB3 CYS 29 HB2 CYS 29 -0.908 -1.445 1.830 205 H LYS 30 H LYS 30 -0.714 2.291 1.814 206 HA LYS 30 HA LYS 30 2.189 2.735 1.554 207 HB2 LYS 30 HB3 LYS 30 0.489 4.467 3.280 208 HB3 LYS 30 HB2 LYS 30 1.757 4.925 2.145 209 HG2 LYS 30 HG3 LYS 30 -1.014 3.945 1.388 210 HG3 LYS 30 HG2 LYS 30 -0.471 5.618 1.327 211 HD2 LYS 30 HD3 LYS 30 1.004 3.453 -0.176 212 HD3 LYS 30 HD2 LYS 30 -0.407 4.247 -0.872 213 HE2 LYS 30 HE3 LYS 30 2.197 5.531 -0.024 214 HE3 LYS 30 HE2 LYS 30 1.501 5.474 -1.642 215 HZ1 LYS 30 HZ1 LYS 30 0.795 7.164 0.627 216 HZ2 LYS 30 HZ2 LYS 30 -0.478 6.643 -0.370 217 HZ3 LYS 30 HZ3 LYS 30 0.817 7.524 -1.030 218 H LYS 31 H LYS 31 -0.181 2.477 4.209 219 HA LYS 31 HA LYS 31 1.725 2.284 6.333 220 HB2 LYS 31 HB3 LYS 31 -1.106 1.262 6.028 221 HB3 LYS 31 HB2 LYS 31 -0.209 1.167 7.541 222 HG2 LYS 31 HG3 LYS 31 -0.158 3.488 7.812 223 HG3 LYS 31 HG2 LYS 31 -0.429 3.793 6.096 224 HD2 LYS 31 HD3 LYS 31 -2.560 4.210 6.806 225 HD3 LYS 31 HD2 LYS 31 -2.711 2.461 6.692 226 HE2 LYS 31 HE3 LYS 31 -3.531 3.330 8.869 227 HE3 LYS 31 HE2 LYS 31 -2.169 2.228 9.064 228 HZ1 LYS 31 HZ1 LYS 31 -1.011 4.673 8.743 229 HZ2 LYS 31 HZ2 LYS 31 -1.223 3.857 10.217 230 HZ3 LYS 31 HZ3 LYS 31 -2.367 5.007 9.708 231 H ALA 32 H ALA 32 -0.060 -0.200 4.526 232 HA ALA 32 HA ALA 32 1.055 -2.465 5.791 233 HB1 ALA 32 HB1 ALA 32 0.597 -2.748 2.890 234 HB2 ALA 32 HB2 ALA 32 -0.761 -2.057 3.779 235 HB3 ALA 32 HB3 ALA 32 -0.124 -3.631 4.236 236 H CYS 33 H CYS 33 2.432 -0.217 3.534 237 HA CYS 33 HA CYS 33 4.780 -2.027 3.178 238 HB2 CYS 33 HB3 CYS 33 3.419 -0.263 1.382 239 HB3 CYS 33 HB2 CYS 33 5.038 0.365 1.647 240 H GLY 34 H GLY 34 6.833 -0.390 2.873 241 HA2 GLY 34 HA3 GLY 34 7.181 0.734 5.533 242 HA3 GLY 34 HA2 GLY 34 8.392 0.714 4.252 243 H LEU 35 H LEU 35 5.174 2.058 3.673 244 HA LEU 35 HA LEU 35 6.507 4.689 3.273 245 HB2 LEU 35 HB3 LEU 35 3.663 3.890 2.620 246 HB3 LEU 35 HB2 LEU 35 4.523 5.313 2.041 247 HG LEU 35 HG LEU 35 4.977 2.427 1.309 248 HD11 LEU 35 HD11 LEU 35 4.872 3.481 -0.991 249 HD12 LEU 35 HD12 LEU 35 4.392 4.977 -0.194 250 HD13 LEU 35 HD13 LEU 35 3.373 3.546 -0.066 251 HD21 LEU 35 HD21 LEU 35 7.200 3.169 1.678 252 HD22 LEU 35 HD22 LEU 35 6.853 4.782 1.055 253 HD23 LEU 35 HD23 LEU 35 6.938 3.409 -0.049 254 H CYS 36 H CYS 36 4.263 3.026 5.336 255 HA CYS 36 HA CYS 36 4.243 5.306 7.179 256 HB2 CYS 36 HB3 CYS 36 2.059 4.829 5.315 257 HB3 CYS 36 HB2 CYS 36 1.510 4.725 6.986 Start of MODEL 29 1 HA VAL 1 HA VAL 1 -1.945 11.517 4.838 2 HB VAL 1 HB VAL 1 -3.361 12.178 2.276 3 HG11 VAL 1 HG11 VAL 1 -5.241 10.671 3.222 4 HG12 VAL 1 HG12 VAL 1 -3.957 9.888 4.141 5 HG13 VAL 1 HG13 VAL 1 -3.908 9.885 2.379 6 HG21 VAL 1 HG21 VAL 1 -3.389 13.546 4.474 7 HG22 VAL 1 HG22 VAL 1 -4.395 12.248 5.120 8 HG23 VAL 1 HG23 VAL 1 -4.947 13.184 3.729 9 H CYS 2 H CYS 2 -1.591 9.337 5.110 10 HA CYS 2 HA CYS 2 -0.956 7.730 2.669 11 HB2 CYS 2 HB3 CYS 2 0.852 6.629 3.842 12 HB3 CYS 2 HB2 CYS 2 1.120 8.368 3.946 13 H GLU 3 H GLU 3 -2.243 5.925 2.574 14 HA GLU 3 HA GLU 3 -2.949 4.444 4.975 15 HB2 GLU 3 HB3 GLU 3 -5.268 4.883 5.101 16 HB3 GLU 3 HB2 GLU 3 -4.554 6.482 4.881 17 HG2 GLU 3 HG3 GLU 3 -4.939 6.208 2.398 18 HG3 GLU 3 HG2 GLU 3 -5.861 4.749 2.773 19 H ASP 4 H ASP 4 -4.194 2.474 4.415 20 HA ASP 4 HA ASP 4 -3.267 1.298 1.999 21 HB2 ASP 4 HB3 ASP 4 -4.768 -0.563 2.524 22 HB3 ASP 4 HB2 ASP 4 -3.969 -0.003 3.992 23 H LEU 5 H LEU 5 -4.242 1.006 -0.014 24 HA LEU 5 HA LEU 5 -6.660 2.687 -0.480 25 HB2 LEU 5 HB3 LEU 5 -4.537 1.713 -2.421 26 HB3 LEU 5 HB2 LEU 5 -5.934 2.695 -2.860 27 HG LEU 5 HG LEU 5 -3.804 3.502 -0.867 28 HD11 LEU 5 HD11 LEU 5 -3.872 5.283 -3.023 29 HD12 LEU 5 HD12 LEU 5 -3.959 3.684 -3.764 30 HD13 LEU 5 HD13 LEU 5 -2.616 4.090 -2.690 31 HD21 LEU 5 HD21 LEU 5 -5.080 5.777 -1.500 32 HD22 LEU 5 HD22 LEU 5 -5.621 4.743 -0.175 33 HD23 LEU 5 HD23 LEU 5 -6.410 4.646 -1.749 34 H ASN 6 H ASN 6 -5.288 -0.522 -0.839 35 HA ASN 6 HA ASN 6 -7.826 -1.414 -2.122 36 HB2 ASN 6 HB3 ASN 6 -5.462 -2.006 -3.024 37 HB3 ASN 6 HB2 ASN 6 -5.413 -3.166 -1.693 38 HD21 ASN 6 HD21 ASN 6 -6.397 -5.157 -2.116 39 HD22 ASN 6 HD22 ASN 6 -7.485 -5.457 -3.382 40 H ALA 7 H ALA 7 -9.168 -2.900 -1.057 41 HA ALA 7 HA ALA 7 -9.025 -3.019 1.809 42 HB1 ALA 7 HB1 ALA 7 -10.778 -4.092 -0.295 43 HB2 ALA 7 HB2 ALA 7 -11.192 -3.549 1.336 44 HB3 ALA 7 HB3 ALA 7 -10.593 -5.189 1.074 45 H HIS 8 H HIS 8 -7.761 -5.020 -0.743 46 HA HIS 8 HA HIS 8 -7.061 -7.220 1.093 47 HB2 HIS 8 HB3 HIS 8 -6.392 -6.778 -1.840 48 HB3 HIS 8 HB2 HIS 8 -6.079 -8.258 -0.941 49 HD2 HIS 8 HD2 HIS 8 -9.252 -7.797 0.563 50 HE1 HIS 8 HE1 HIS 8 -10.413 -9.021 -3.308 51 HE2 HIS 8 HE2 HIS 8 -11.190 -8.723 -0.914 52 H CYS 9 H CYS 9 -5.893 -4.288 0.990 53 HA CYS 9 HA CYS 9 -3.184 -4.330 0.304 54 HB2 CYS 9 HB3 CYS 9 -4.875 -2.825 2.198 55 HB3 CYS 9 HB2 CYS 9 -3.154 -2.843 2.591 56 H GLU 10 H GLU 10 -4.547 -5.036 3.527 57 HA GLU 10 HA GLU 10 -2.088 -5.971 4.642 58 HB2 GLU 10 HB3 GLU 10 -4.987 -6.437 5.342 59 HB3 GLU 10 HB2 GLU 10 -3.663 -7.051 6.336 60 HG2 GLU 10 HG3 GLU 10 -4.082 -4.146 5.571 61 HG3 GLU 10 HG2 GLU 10 -4.481 -4.841 7.143 62 H MET 11 H MET 11 -4.657 -7.569 2.838 63 HA MET 11 HA MET 11 -3.848 -10.267 3.322 64 HB2 MET 11 HB3 MET 11 -5.193 -9.026 0.901 65 HB3 MET 11 HB2 MET 11 -5.077 -10.760 1.209 66 HG2 MET 11 HG3 MET 11 -6.282 -10.397 3.383 67 HG3 MET 11 HG2 MET 11 -6.505 -8.705 2.930 68 HE1 MET 11 HE1 MET 11 -10.057 -10.169 2.456 69 HE2 MET 11 HE2 MET 11 -9.051 -8.939 3.222 70 HE3 MET 11 HE3 MET 11 -8.862 -10.632 3.677 71 H TRP 12 H TRP 12 -2.658 -7.781 1.154 72 HA TRP 12 HA TRP 12 -0.943 -9.687 -0.303 73 HB2 TRP 12 HB3 TRP 12 -1.064 -6.663 -0.430 74 HB3 TRP 12 HB2 TRP 12 -0.207 -7.708 -1.548 75 HD1 TRP 12 HD1 TRP 12 -2.766 -9.885 -1.404 76 HE1 TRP 12 HE1 TRP 12 -4.756 -9.363 -2.954 77 HE3 TRP 12 HE3 TRP 12 -1.915 -4.942 -2.281 78 HZ2 TRP 12 HZ2 TRP 12 -5.831 -7.140 -4.399 79 HZ3 TRP 12 HZ3 TRP 12 -3.430 -3.642 -3.748 80 HH2 TRP 12 HH2 TRP 12 -5.386 -4.728 -4.806 81 H GLN 13 H GLN 13 -0.491 -6.985 2.000 82 HA GLN 13 HA GLN 13 2.372 -7.145 2.045 83 HB2 GLN 13 HB3 GLN 13 2.265 -5.606 3.793 84 HB3 GLN 13 HB2 GLN 13 0.739 -5.307 2.960 85 HG2 GLN 13 HG3 GLN 13 0.039 -5.497 5.177 86 HG3 GLN 13 HG2 GLN 13 -0.190 -7.142 4.591 87 HE21 GLN 13 HE21 GLN 13 0.250 -8.259 6.557 88 HE22 GLN 13 HE22 GLN 13 1.755 -8.200 7.340 89 H GLN 14 H GLN 14 -0.173 -8.800 3.837 90 HA GLN 14 HA GLN 14 1.520 -9.985 5.805 91 HB2 GLN 14 HB3 GLN 14 -0.316 -11.335 6.373 92 HB3 GLN 14 HB2 GLN 14 -1.081 -9.903 5.683 93 HG2 GLN 14 HG3 GLN 14 -1.096 -11.130 3.460 94 HG3 GLN 14 HG2 GLN 14 -0.613 -12.575 4.348 95 HE21 GLN 14 HE21 GLN 14 -2.806 -10.107 5.664 96 HE22 GLN 14 HE22 GLN 14 -4.179 -11.103 5.699 97 H LEU 15 H LEU 15 0.783 -10.826 2.467 98 HA LEU 15 HA LEU 15 2.177 -13.407 2.650 99 HB2 LEU 15 HB3 LEU 15 1.139 -11.846 0.269 100 HB3 LEU 15 HB2 LEU 15 1.754 -13.497 0.212 101 HG LEU 15 HG LEU 15 -0.634 -12.553 1.825 102 HD11 LEU 15 HD11 LEU 15 -1.142 -14.618 -0.133 103 HD12 LEU 15 HD12 LEU 15 -0.407 -13.214 -0.911 104 HD13 LEU 15 HD13 LEU 15 -1.890 -13.031 0.023 105 HD21 LEU 15 HD21 LEU 15 -0.847 -15.210 1.870 106 HD22 LEU 15 HD22 LEU 15 0.147 -14.363 3.058 107 HD23 LEU 15 HD23 LEU 15 0.902 -15.121 1.656 108 H GLY 16 H GLY 16 3.085 -10.183 2.430 109 HA2 GLY 16 HA3 GLY 16 5.392 -9.490 2.432 110 HA3 GLY 16 HA2 GLY 16 5.812 -10.969 1.571 111 H HIS 17 H HIS 17 3.065 -9.352 0.262 112 HA HIS 17 HA HIS 17 4.181 -9.000 -2.288 113 HB2 HIS 17 HB3 HIS 17 1.929 -7.552 -0.887 114 HB3 HIS 17 HB2 HIS 17 2.370 -7.187 -2.557 115 HD2 HIS 17 HD2 HIS 17 2.400 -10.884 -1.211 116 HE1 HIS 17 HE1 HIS 17 -0.709 -10.566 -4.050 117 HE2 HIS 17 HE2 HIS 17 0.591 -12.169 -2.574 118 H CYS 18 H CYS 18 4.413 -6.893 0.522 119 HA CYS 18 HA CYS 18 5.503 -4.648 -0.977 120 HB2 CYS 18 HB3 CYS 18 5.200 -5.354 1.929 121 HB3 CYS 18 HB2 CYS 18 6.348 -4.096 1.478 122 H GLN 19 H GLN 19 6.759 -7.326 0.942 123 HA GLN 19 HA GLN 19 9.522 -6.560 0.632 124 HB2 GLN 19 HB3 GLN 19 8.578 -8.081 2.425 125 HB3 GLN 19 HB2 GLN 19 8.431 -9.330 1.191 126 HG2 GLN 19 HG3 GLN 19 10.873 -9.110 0.726 127 HG3 GLN 19 HG2 GLN 19 10.990 -7.943 2.045 128 HE21 GLN 19 HE21 GLN 19 8.667 -9.895 3.202 129 HE22 GLN 19 HE22 GLN 19 9.593 -11.079 3.989 130 H TYR 20 H TYR 20 7.233 -8.459 -1.219 131 HA TYR 20 HA TYR 20 9.411 -9.292 -3.047 132 HB2 TYR 20 HB3 TYR 20 6.496 -10.108 -2.894 133 HB3 TYR 20 HB2 TYR 20 7.649 -10.733 -4.074 134 HD1 TYR 20 HD2 TYR 20 9.908 -11.687 -3.055 135 HD2 TYR 20 HD1 TYR 20 6.243 -11.242 -0.869 136 HE1 TYR 20 HE2 TYR 20 10.695 -13.354 -1.402 137 HE2 TYR 20 HE1 TYR 20 7.021 -12.926 0.781 138 HH TYR 20 HH TYR 20 9.329 -13.795 1.580 139 H SER 21 H SER 21 6.215 -7.654 -3.199 140 HA SER 21 HA SER 21 7.217 -6.342 -5.701 141 HB2 SER 21 HB3 SER 21 5.303 -8.220 -5.766 142 HB3 SER 21 HB2 SER 21 4.291 -6.819 -5.425 143 HG SER 21 HG SER 21 5.636 -5.840 -7.222 144 HA PRO 22 HA PRO 22 5.690 -3.175 -2.637 145 HB2 PRO 22 HB3 PRO 22 7.929 -1.605 -2.693 146 HB3 PRO 22 HB2 PRO 22 7.707 -2.952 -1.562 147 HG2 PRO 22 HG3 PRO 22 9.298 -2.823 -4.065 148 HG3 PRO 22 HG2 PRO 22 9.645 -3.675 -2.553 149 HD2 PRO 22 HD3 PRO 22 8.678 -4.908 -4.819 150 HD3 PRO 22 HD2 PRO 22 8.435 -5.536 -3.174 151 H LYS 23 H LYS 23 6.907 -3.212 -5.828 152 HA LYS 23 HA LYS 23 6.693 -0.492 -6.599 153 HB2 LYS 23 HB3 LYS 23 7.672 -2.311 -8.004 154 HB3 LYS 23 HB2 LYS 23 6.044 -2.921 -8.289 155 HG2 LYS 23 HG3 LYS 23 5.406 -0.755 -9.279 156 HG3 LYS 23 HG2 LYS 23 7.047 -0.161 -9.032 157 HD2 LYS 23 HD3 LYS 23 7.883 -2.067 -10.444 158 HD3 LYS 23 HD2 LYS 23 6.205 -2.489 -10.781 159 HE2 LYS 23 HE3 LYS 23 7.567 0.137 -11.462 160 HE3 LYS 23 HE2 LYS 23 7.040 -1.095 -12.610 161 HZ1 LYS 23 HZ1 LYS 23 5.116 0.007 -12.671 162 HZ2 LYS 23 HZ2 LYS 23 5.531 0.966 -11.330 163 HZ3 LYS 23 HZ3 LYS 23 4.829 -0.562 -11.099 164 H TYR 24 H TYR 24 4.177 -2.970 -6.190 165 HA TYR 24 HA TYR 24 2.168 -0.977 -7.154 166 HB2 TYR 24 HB3 TYR 24 1.701 -3.885 -6.477 167 HB3 TYR 24 HB2 TYR 24 0.656 -2.813 -7.412 168 HD1 TYR 24 HD1 TYR 24 1.341 -2.052 -9.675 169 HD2 TYR 24 HD2 TYR 24 3.625 -4.948 -7.477 170 HE1 TYR 24 HE1 TYR 24 2.528 -2.709 -11.761 171 HE2 TYR 24 HE2 TYR 24 4.803 -5.603 -9.562 172 HH TYR 24 HH TYR 24 5.008 -5.271 -11.744 173 H MET 25 H MET 25 3.358 -2.515 -4.273 174 HA MET 25 HA MET 25 0.927 -2.120 -2.702 175 HB2 MET 25 HB3 MET 25 3.802 -2.530 -1.840 176 HB3 MET 25 HB2 MET 25 2.400 -2.612 -0.781 177 HG2 MET 25 HG3 MET 25 2.752 -4.372 -3.216 178 HG3 MET 25 HG2 MET 25 3.226 -4.855 -1.590 179 HE1 MET 25 HE1 MET 25 0.333 -3.771 0.323 180 HE2 MET 25 HE2 MET 25 1.939 -4.495 0.299 181 HE3 MET 25 HE3 MET 25 0.522 -5.525 0.429 182 H GLY 26 H GLY 26 4.009 -0.405 -3.138 183 HA2 GLY 26 HA3 GLY 26 3.493 1.665 -1.246 184 HA3 GLY 26 HA2 GLY 26 4.611 1.796 -2.605 185 H HIS 27 H HIS 27 2.308 1.074 -4.455 186 HA HIS 27 HA HIS 27 1.335 3.841 -4.760 187 HB2 HIS 27 HB3 HIS 27 2.230 2.575 -6.724 188 HB3 HIS 27 HB2 HIS 27 0.881 1.450 -6.568 189 HD2 HIS 27 HD2 HIS 27 -1.706 2.632 -7.123 190 HE1 HIS 27 HE1 HIS 27 -0.136 6.116 -8.923 191 HE2 HIS 27 HE2 HIS 27 -2.233 4.743 -8.573 192 H TYR 28 H TYR 28 0.293 0.964 -3.324 193 HA TYR 28 HA TYR 28 -2.517 1.968 -3.383 194 HB2 TYR 28 HB3 TYR 28 -1.473 -0.818 -3.768 195 HB3 TYR 28 HB2 TYR 28 -3.051 -0.577 -3.016 196 HD1 TYR 28 HD2 TYR 28 -1.052 -0.062 -6.084 197 HD2 TYR 28 HD1 TYR 28 -4.929 0.306 -4.253 198 HE1 TYR 28 HE2 TYR 28 -2.077 0.307 -8.309 199 HE2 TYR 28 HE1 TYR 28 -5.941 0.676 -6.485 200 HH TYR 28 HH TYR 28 -4.323 0.003 -9.344 201 H CYS 29 H CYS 29 -0.210 -0.103 -1.596 202 HA CYS 29 HA CYS 29 -1.691 0.637 0.886 203 HB2 CYS 29 HB3 CYS 29 0.394 -1.527 0.662 204 HB3 CYS 29 HB2 CYS 29 -0.880 -1.345 1.865 205 H LYS 30 H LYS 30 -0.747 2.367 1.891 206 HA LYS 30 HA LYS 30 2.147 2.843 1.577 207 HB2 LYS 30 HB3 LYS 30 0.433 4.490 3.384 208 HB3 LYS 30 HB2 LYS 30 1.737 5.006 2.319 209 HG2 LYS 30 HG3 LYS 30 -1.047 4.148 1.493 210 HG3 LYS 30 HG2 LYS 30 -0.372 5.773 1.404 211 HD2 LYS 30 HD3 LYS 30 1.008 3.521 -0.052 212 HD3 LYS 30 HD2 LYS 30 -0.415 4.276 -0.759 213 HE2 LYS 30 HE3 LYS 30 1.977 5.845 0.211 214 HE3 LYS 30 HE2 LYS 30 1.783 5.298 -1.456 215 HZ1 LYS 30 HZ1 LYS 30 0.318 6.913 -1.860 216 HZ2 LYS 30 HZ2 LYS 30 0.764 7.593 -0.366 217 HZ3 LYS 30 HZ3 LYS 30 -0.575 6.553 -0.462 218 H LYS 31 H LYS 31 -0.142 2.497 4.308 219 HA LYS 31 HA LYS 31 1.832 2.283 6.356 220 HB2 LYS 31 HB3 LYS 31 -0.982 1.227 6.100 221 HB3 LYS 31 HB2 LYS 31 -0.044 1.116 7.589 222 HG2 LYS 31 HG3 LYS 31 -0.049 3.424 7.924 223 HG3 LYS 31 HG2 LYS 31 -0.298 3.768 6.213 224 HD2 LYS 31 HD3 LYS 31 -2.412 4.202 7.000 225 HD3 LYS 31 HD2 LYS 31 -2.596 2.490 6.646 226 HE2 LYS 31 HE3 LYS 31 -1.596 2.374 9.182 227 HE3 LYS 31 HE2 LYS 31 -2.515 3.877 9.261 228 HZ1 LYS 31 HZ1 LYS 31 -4.444 2.785 9.127 229 HZ2 LYS 31 HZ2 LYS 31 -3.554 1.398 9.540 230 HZ3 LYS 31 HZ3 LYS 31 -3.890 1.741 7.911 231 H ALA 32 H ALA 32 0.023 -0.177 4.553 232 HA ALA 32 HA ALA 32 1.177 -2.470 5.728 233 HB1 ALA 32 HB1 ALA 32 0.655 -2.620 2.819 234 HB2 ALA 32 HB2 ALA 32 -0.693 -2.043 3.805 235 HB3 ALA 32 HB3 ALA 32 0.025 -3.615 4.130 236 H CYS 33 H CYS 33 2.504 -0.184 3.447 237 HA CYS 33 HA CYS 33 4.827 -1.995 3.001 238 HB2 CYS 33 HB3 CYS 33 3.392 -0.220 1.286 239 HB3 CYS 33 HB2 CYS 33 5.020 0.411 1.481 240 H GLY 34 H GLY 34 6.880 -0.291 2.598 241 HA2 GLY 34 HA3 GLY 34 7.316 0.810 5.265 242 HA3 GLY 34 HA2 GLY 34 8.494 0.800 3.951 243 H LEU 35 H LEU 35 5.219 2.128 3.553 244 HA LEU 35 HA LEU 35 6.510 4.775 3.068 245 HB2 LEU 35 HB3 LEU 35 3.646 3.970 2.534 246 HB3 LEU 35 HB2 LEU 35 4.482 5.391 1.915 247 HG LEU 35 HG LEU 35 4.926 2.500 1.184 248 HD11 LEU 35 HD11 LEU 35 4.705 3.569 -1.134 249 HD12 LEU 35 HD12 LEU 35 4.179 5.027 -0.295 250 HD13 LEU 35 HD13 LEU 35 3.246 3.545 -0.145 251 HD21 LEU 35 HD21 LEU 35 6.802 3.519 -0.272 252 HD22 LEU 35 HD22 LEU 35 7.141 3.281 1.442 253 HD23 LEU 35 HD23 LEU 35 6.735 4.888 0.839 254 H CYS 36 H CYS 36 4.363 3.096 5.223 255 HA CYS 36 HA CYS 36 4.375 5.385 7.055 256 HB2 CYS 36 HB3 CYS 36 2.149 4.895 5.285 257 HB3 CYS 36 HB2 CYS 36 1.645 4.663 6.958 Start of MODEL 30 1 HA VAL 1 HA VAL 1 -0.567 11.588 3.833 2 HB VAL 1 HB VAL 1 -1.308 10.546 5.921 3 HG11 VAL 1 HG11 VAL 1 -1.498 12.922 5.940 4 HG12 VAL 1 HG12 VAL 1 -3.016 12.321 6.607 5 HG13 VAL 1 HG13 VAL 1 -2.949 12.886 4.940 6 HG21 VAL 1 HG21 VAL 1 -3.037 9.084 5.545 7 HG22 VAL 1 HG22 VAL 1 -3.754 10.092 4.290 8 HG23 VAL 1 HG23 VAL 1 -4.008 10.486 5.989 9 H CYS 2 H CYS 2 -0.831 8.960 5.192 10 HA CYS 2 HA CYS 2 -0.529 7.253 2.761 11 HB2 CYS 2 HB3 CYS 2 0.446 5.928 5.070 12 HB3 CYS 2 HB2 CYS 2 1.388 6.570 3.728 13 H GLU 3 H GLU 3 -2.056 5.683 2.472 14 HA GLU 3 HA GLU 3 -3.228 4.315 4.762 15 HB2 GLU 3 HB3 GLU 3 -5.474 5.002 4.555 16 HB3 GLU 3 HB2 GLU 3 -4.563 6.509 4.455 17 HG2 GLU 3 HG3 GLU 3 -4.625 6.302 1.951 18 HG3 GLU 3 HG2 GLU 3 -5.690 4.910 2.136 19 H ASP 4 H ASP 4 -4.361 2.430 4.142 20 HA ASP 4 HA ASP 4 -3.424 1.192 1.759 21 HB2 ASP 4 HB3 ASP 4 -5.012 -0.607 2.321 22 HB3 ASP 4 HB2 ASP 4 -4.124 -0.077 3.748 23 H LEU 5 H LEU 5 -4.450 0.777 -0.209 24 HA LEU 5 HA LEU 5 -6.795 2.535 -0.802 25 HB2 LEU 5 HB3 LEU 5 -4.669 1.324 -2.593 26 HB3 LEU 5 HB2 LEU 5 -6.065 2.206 -3.199 27 HG LEU 5 HG LEU 5 -3.948 3.304 -1.322 28 HD11 LEU 5 HD11 LEU 5 -2.831 3.875 -3.194 29 HD12 LEU 5 HD12 LEU 5 -4.243 4.767 -3.760 30 HD13 LEU 5 HD13 LEU 5 -4.055 3.062 -4.171 31 HD21 LEU 5 HD21 LEU 5 -6.607 4.286 -2.261 32 HD22 LEU 5 HD22 LEU 5 -5.298 5.465 -2.160 33 HD23 LEU 5 HD23 LEU 5 -5.787 4.564 -0.724 34 H ASN 6 H ASN 6 -5.525 -0.738 -1.075 35 HA ASN 6 HA ASN 6 -8.152 -1.646 -2.146 36 HB2 ASN 6 HB3 ASN 6 -5.356 -2.675 -2.263 37 HB3 ASN 6 HB2 ASN 6 -6.660 -3.865 -2.259 38 HD21 ASN 6 HD21 ASN 6 -4.754 -2.258 -4.385 39 HD22 ASN 6 HD22 ASN 6 -5.824 -2.092 -5.691 40 H ALA 7 H ALA 7 -9.391 -3.136 -0.972 41 HA ALA 7 HA ALA 7 -9.102 -3.152 1.875 42 HB1 ALA 7 HB1 ALA 7 -11.120 -4.210 1.862 43 HB2 ALA 7 HB2 ALA 7 -10.594 -5.409 0.681 44 HB3 ALA 7 HB3 ALA 7 -11.113 -3.813 0.144 45 H HIS 8 H HIS 8 -7.753 -5.161 -0.618 46 HA HIS 8 HA HIS 8 -7.003 -7.291 1.289 47 HB2 HIS 8 HB3 HIS 8 -6.503 -6.909 -1.673 48 HB3 HIS 8 HB2 HIS 8 -5.909 -8.294 -0.755 49 HD2 HIS 8 HD2 HIS 8 -9.174 -7.834 0.843 50 HE1 HIS 8 HE1 HIS 8 -10.154 -9.977 -2.663 51 HE2 HIS 8 HE2 HIS 8 -11.001 -9.228 -0.392 52 H CYS 9 H CYS 9 -5.911 -4.329 0.986 53 HA CYS 9 HA CYS 9 -3.188 -4.364 0.315 54 HB2 CYS 9 HB3 CYS 9 -4.956 -2.742 2.009 55 HB3 CYS 9 HB2 CYS 9 -3.267 -2.714 2.521 56 H GLU 10 H GLU 10 -4.582 -4.868 3.570 57 HA GLU 10 HA GLU 10 -2.135 -5.603 4.817 58 HB2 GLU 10 HB3 GLU 10 -5.023 -6.249 5.429 59 HB3 GLU 10 HB2 GLU 10 -3.700 -6.784 6.470 60 HG2 GLU 10 HG3 GLU 10 -2.951 -4.413 6.663 61 HG3 GLU 10 HG2 GLU 10 -4.353 -3.920 5.717 62 H MET 11 H MET 11 -4.562 -7.541 3.104 63 HA MET 11 HA MET 11 -3.436 -10.092 3.722 64 HB2 MET 11 HB3 MET 11 -5.003 -9.180 1.293 65 HB3 MET 11 HB2 MET 11 -4.652 -10.864 1.684 66 HG2 MET 11 HG3 MET 11 -5.791 -10.536 3.890 67 HG3 MET 11 HG2 MET 11 -6.247 -8.912 3.372 68 HE1 MET 11 HE1 MET 11 -9.556 -10.888 3.281 69 HE2 MET 11 HE2 MET 11 -8.929 -9.255 3.497 70 HE3 MET 11 HE3 MET 11 -8.244 -10.584 4.429 71 H TRP 12 H TRP 12 -2.790 -7.786 1.097 72 HA TRP 12 HA TRP 12 -0.936 -9.511 -0.290 73 HB2 TRP 12 HB3 TRP 12 -1.148 -6.490 -0.327 74 HB3 TRP 12 HB2 TRP 12 -0.290 -7.472 -1.505 75 HD1 TRP 12 HD1 TRP 12 -2.836 -9.717 -1.223 76 HE1 TRP 12 HE1 TRP 12 -4.878 -9.242 -2.713 77 HE3 TRP 12 HE3 TRP 12 -2.037 -4.780 -2.274 78 HZ2 TRP 12 HZ2 TRP 12 -6.026 -7.066 -4.162 79 HZ3 TRP 12 HZ3 TRP 12 -3.625 -3.535 -3.712 80 HH2 TRP 12 HH2 TRP 12 -5.615 -4.673 -4.658 81 H GLN 13 H GLN 13 -0.504 -6.924 2.111 82 HA GLN 13 HA GLN 13 2.368 -7.030 2.048 83 HB2 GLN 13 HB3 GLN 13 2.285 -5.450 3.728 84 HB3 GLN 13 HB2 GLN 13 0.657 -5.272 3.077 85 HG2 GLN 13 HG3 GLN 13 0.206 -5.490 5.349 86 HG3 GLN 13 HG2 GLN 13 0.070 -7.159 4.819 87 HE21 GLN 13 HE21 GLN 13 0.832 -8.189 6.745 88 HE22 GLN 13 HE22 GLN 13 2.401 -7.968 7.350 89 H GLN 14 H GLN 14 -0.097 -8.750 3.908 90 HA GLN 14 HA GLN 14 1.764 -9.980 5.728 91 HB2 GLN 14 HB3 GLN 14 -0.060 -11.056 6.595 92 HB3 GLN 14 HB2 GLN 14 -0.920 -9.825 5.675 93 HG2 GLN 14 HG3 GLN 14 -0.831 -11.536 3.726 94 HG3 GLN 14 HG2 GLN 14 -0.464 -12.718 4.977 95 HE21 GLN 14 HE21 GLN 14 -2.435 -10.075 6.043 96 HE22 GLN 14 HE22 GLN 14 -3.921 -10.891 6.025 97 H LEU 15 H LEU 15 0.665 -10.696 2.476 98 HA LEU 15 HA LEU 15 1.922 -13.347 2.443 99 HB2 LEU 15 HB3 LEU 15 0.801 -11.581 0.247 100 HB3 LEU 15 HB2 LEU 15 1.444 -13.200 -0.031 101 HG LEU 15 HG LEU 15 -0.883 -12.499 1.780 102 HD11 LEU 15 HD11 LEU 15 -0.842 -14.103 -0.785 103 HD12 LEU 15 HD12 LEU 15 -1.268 -12.391 -0.716 104 HD13 LEU 15 HD13 LEU 15 -2.260 -13.582 0.129 105 HD21 LEU 15 HD21 LEU 15 -1.010 -15.162 1.520 106 HD22 LEU 15 HD22 LEU 15 -0.074 -14.399 2.806 107 HD23 LEU 15 HD23 LEU 15 0.734 -14.967 1.344 108 H GLY 16 H GLY 16 3.035 -10.179 2.345 109 HA2 GLY 16 HA3 GLY 16 5.370 -9.623 2.242 110 HA3 GLY 16 HA2 GLY 16 5.659 -11.103 1.329 111 H HIS 17 H HIS 17 2.972 -9.195 0.260 112 HA HIS 17 HA HIS 17 4.028 -8.857 -2.355 113 HB2 HIS 17 HB3 HIS 17 1.835 -7.423 -0.859 114 HB3 HIS 17 HB2 HIS 17 2.241 -7.020 -2.526 115 HD2 HIS 17 HD2 HIS 17 2.189 -10.759 -1.248 116 HE1 HIS 17 HE1 HIS 17 -0.897 -10.263 -4.092 117 HE2 HIS 17 HE2 HIS 17 0.335 -11.950 -2.650 118 H CYS 18 H CYS 18 4.352 -6.877 0.537 119 HA CYS 18 HA CYS 18 5.441 -4.587 -0.898 120 HB2 CYS 18 HB3 CYS 18 5.128 -5.395 1.967 121 HB3 CYS 18 HB2 CYS 18 6.345 -4.174 1.587 122 H GLN 19 H GLN 19 6.695 -7.372 0.864 123 HA GLN 19 HA GLN 19 9.486 -6.688 0.558 124 HB2 GLN 19 HB3 GLN 19 8.536 -8.332 2.238 125 HB3 GLN 19 HB2 GLN 19 8.272 -9.446 0.896 126 HG2 GLN 19 HG3 GLN 19 10.683 -9.361 0.356 127 HG3 GLN 19 HG2 GLN 19 10.943 -8.272 1.722 128 HE21 GLN 19 HE21 GLN 19 12.375 -10.574 1.917 129 HE22 GLN 19 HE22 GLN 19 11.673 -11.659 3.018 130 H TYR 20 H TYR 20 7.112 -8.467 -1.317 131 HA TYR 20 HA TYR 20 9.165 -9.219 -3.315 132 HB2 TYR 20 HB3 TYR 20 6.232 -9.953 -3.122 133 HB3 TYR 20 HB2 TYR 20 7.393 -10.634 -4.266 134 HD1 TYR 20 HD2 TYR 20 9.739 -11.306 -2.930 135 HD2 TYR 20 HD1 TYR 20 5.751 -11.356 -1.334 136 HE1 TYR 20 HE2 TYR 20 10.444 -12.956 -1.222 137 HE2 TYR 20 HE1 TYR 20 6.459 -13.007 0.374 138 HH TYR 20 HH TYR 20 8.182 -14.088 1.280 139 H SER 21 H SER 21 5.987 -7.552 -3.240 140 HA SER 21 HA SER 21 6.818 -6.225 -5.791 141 HB2 SER 21 HB3 SER 21 4.750 -7.944 -5.582 142 HB3 SER 21 HB2 SER 21 3.926 -6.448 -5.157 143 HG SER 21 HG SER 21 5.616 -6.140 -7.265 144 HA PRO 22 HA PRO 22 5.956 -2.989 -2.543 145 HB2 PRO 22 HB3 PRO 22 8.330 -1.656 -2.838 146 HB3 PRO 22 HB2 PRO 22 8.092 -2.982 -1.685 147 HG2 PRO 22 HG3 PRO 22 9.429 -2.995 -4.334 148 HG3 PRO 22 HG2 PRO 22 9.820 -3.900 -2.861 149 HD2 PRO 22 HD3 PRO 22 8.503 -4.987 -5.034 150 HD3 PRO 22 HD2 PRO 22 8.375 -5.616 -3.378 151 H LYS 23 H LYS 23 7.040 -3.073 -5.826 152 HA LYS 23 HA LYS 23 6.869 -0.335 -6.551 153 HB2 LYS 23 HB3 LYS 23 7.785 -2.166 -7.994 154 HB3 LYS 23 HB2 LYS 23 6.131 -2.720 -8.266 155 HG2 LYS 23 HG3 LYS 23 5.552 -0.477 -9.168 156 HG3 LYS 23 HG2 LYS 23 7.234 0.013 -8.969 157 HD2 LYS 23 HD3 LYS 23 7.918 -1.867 -10.462 158 HD3 LYS 23 HD2 LYS 23 6.215 -2.237 -10.727 159 HE2 LYS 23 HE3 LYS 23 7.821 0.093 -11.695 160 HE3 LYS 23 HE2 LYS 23 6.594 -0.849 -12.537 161 HZ1 LYS 23 HZ1 LYS 23 6.198 1.257 -10.501 162 HZ2 LYS 23 HZ2 LYS 23 4.970 0.156 -10.908 163 HZ3 LYS 23 HZ3 LYS 23 5.602 1.201 -12.088 164 H TYR 24 H TYR 24 4.344 -2.814 -6.230 165 HA TYR 24 HA TYR 24 2.355 -0.760 -7.082 166 HB2 TYR 24 HB3 TYR 24 1.880 -3.714 -6.613 167 HB3 TYR 24 HB2 TYR 24 0.834 -2.582 -7.466 168 HD1 TYR 24 HD1 TYR 24 4.044 -4.423 -7.606 169 HD2 TYR 24 HD2 TYR 24 1.280 -1.931 -9.752 170 HE1 TYR 24 HE1 TYR 24 5.222 -4.944 -9.724 171 HE2 TYR 24 HE2 TYR 24 2.458 -2.452 -11.873 172 HH TYR 24 HH TYR 24 5.032 -3.233 -12.403 173 H MET 25 H MET 25 3.491 -2.540 -4.290 174 HA MET 25 HA MET 25 1.050 -2.138 -2.750 175 HB2 MET 25 HB3 MET 25 3.899 -2.739 -1.915 176 HB3 MET 25 HB2 MET 25 2.567 -2.580 -0.773 177 HG2 MET 25 HG3 MET 25 2.625 -4.533 -3.094 178 HG3 MET 25 HG2 MET 25 2.975 -4.954 -1.417 179 HE1 MET 25 HE1 MET 25 1.272 -3.700 0.438 180 HE2 MET 25 HE2 MET 25 1.242 -5.456 0.370 181 HE3 MET 25 HE3 MET 25 -0.271 -4.561 0.473 182 H GLY 26 H GLY 26 4.152 -0.421 -3.031 183 HA2 GLY 26 HA3 GLY 26 3.596 1.606 -1.115 184 HA3 GLY 26 HA2 GLY 26 4.706 1.788 -2.473 185 H HIS 27 H HIS 27 2.487 1.094 -4.372 186 HA HIS 27 HA HIS 27 1.414 3.827 -4.607 187 HB2 HIS 27 HB3 HIS 27 2.376 2.613 -6.582 188 HB3 HIS 27 HB2 HIS 27 1.038 1.467 -6.469 189 HD2 HIS 27 HD2 HIS 27 -1.455 2.459 -7.373 190 HE1 HIS 27 HE1 HIS 27 -0.073 6.295 -8.471 191 HE2 HIS 27 HE2 HIS 27 -2.050 4.707 -8.551 192 H TYR 28 H TYR 28 0.396 0.751 -3.463 193 HA TYR 28 HA TYR 28 -2.439 1.700 -3.525 194 HB2 TYR 28 HB3 TYR 28 -1.220 -1.010 -3.847 195 HB3 TYR 28 HB2 TYR 28 -2.822 -0.879 -3.116 196 HD1 TYR 28 HD2 TYR 28 -0.813 -0.102 -6.136 197 HD2 TYR 28 HD1 TYR 28 -4.737 -0.226 -4.396 198 HE1 TYR 28 HE2 TYR 28 -1.818 0.252 -8.374 199 HE2 TYR 28 HE1 TYR 28 -5.741 0.125 -6.632 200 HH TYR 28 HH TYR 28 -4.861 -0.398 -9.142 201 H CYS 29 H CYS 29 -0.099 -0.183 -1.600 202 HA CYS 29 HA CYS 29 -1.701 0.559 0.802 203 HB2 CYS 29 HB3 CYS 29 0.421 -1.576 0.694 204 HB3 CYS 29 HB2 CYS 29 -0.889 -1.389 1.855 205 H LYS 30 H LYS 30 -0.838 2.337 1.749 206 HA LYS 30 HA LYS 30 2.050 2.875 1.524 207 HB2 LYS 30 HB3 LYS 30 0.233 4.563 3.196 208 HB3 LYS 30 HB2 LYS 30 1.561 5.048 2.141 209 HG2 LYS 30 HG3 LYS 30 -1.146 4.029 1.220 210 HG3 LYS 30 HG2 LYS 30 -0.605 5.703 1.166 211 HD2 LYS 30 HD3 LYS 30 0.980 3.535 -0.212 212 HD3 LYS 30 HD2 LYS 30 -0.397 4.292 -1.003 213 HE2 LYS 30 HE3 LYS 30 2.068 5.701 0.053 214 HE3 LYS 30 HE2 LYS 30 1.619 5.497 -1.639 215 HZ1 LYS 30 HZ1 LYS 30 0.585 7.340 0.347 216 HZ2 LYS 30 HZ2 LYS 30 -0.584 6.627 -0.661 217 HZ3 LYS 30 HZ3 LYS 30 0.699 7.510 -1.337 218 H LYS 31 H LYS 31 -0.316 2.515 4.176 219 HA LYS 31 HA LYS 31 1.632 2.403 6.277 220 HB2 LYS 31 HB3 LYS 31 -1.201 1.412 6.002 221 HB3 LYS 31 HB2 LYS 31 -0.289 1.220 7.497 222 HG2 LYS 31 HG3 LYS 31 -0.254 3.486 7.934 223 HG3 LYS 31 HG2 LYS 31 -0.314 3.921 6.227 224 HD2 LYS 31 HD3 LYS 31 -2.473 4.463 6.785 225 HD3 LYS 31 HD2 LYS 31 -2.732 2.756 6.442 226 HE2 LYS 31 HE3 LYS 31 -2.020 2.525 9.006 227 HE3 LYS 31 HE2 LYS 31 -2.643 4.173 9.065 228 HZ1 LYS 31 HZ1 LYS 31 -4.119 1.870 9.148 229 HZ2 LYS 31 HZ2 LYS 31 -4.347 2.451 7.566 230 HZ3 LYS 31 HZ3 LYS 31 -4.715 3.439 8.899 231 H ALA 32 H ALA 32 -0.072 -0.138 4.484 232 HA ALA 32 HA ALA 32 1.059 -2.365 5.822 233 HB1 ALA 32 HB1 ALA 32 0.595 -2.709 2.926 234 HB2 ALA 32 HB2 ALA 32 -0.767 -2.023 3.816 235 HB3 ALA 32 HB3 ALA 32 -0.102 -3.581 4.290 236 H CYS 33 H CYS 33 2.486 -0.133 3.612 237 HA CYS 33 HA CYS 33 4.779 -1.998 3.190 238 HB2 CYS 33 HB3 CYS 33 3.435 -0.207 1.436 239 HB3 CYS 33 HB2 CYS 33 5.049 0.438 1.710 240 H GLY 34 H GLY 34 6.869 -0.353 2.861 241 HA2 GLY 34 HA3 GLY 34 7.281 0.671 5.565 242 HA3 GLY 34 HA2 GLY 34 8.482 0.645 4.276 243 H LEU 35 H LEU 35 5.540 2.013 3.258 244 HA LEU 35 HA LEU 35 6.777 4.622 2.952 245 HB2 LEU 35 HB3 LEU 35 3.852 3.880 2.646 246 HB3 LEU 35 HB2 LEU 35 4.650 5.301 1.978 247 HG LEU 35 HG LEU 35 4.993 2.413 1.188 248 HD11 LEU 35 HD11 LEU 35 4.174 4.973 -0.164 249 HD12 LEU 35 HD12 LEU 35 3.312 3.441 -0.097 250 HD13 LEU 35 HD13 LEU 35 4.749 3.599 -1.104 251 HD21 LEU 35 HD21 LEU 35 7.255 3.127 1.326 252 HD22 LEU 35 HD22 LEU 35 6.862 4.742 0.733 253 HD23 LEU 35 HD23 LEU 35 6.815 3.365 -0.365 254 H CYS 36 H CYS 36 4.267 3.284 5.099 255 HA CYS 36 HA CYS 36 4.813 5.504 6.984 256 HB2 CYS 36 HB3 CYS 36 2.364 5.186 5.394 257 HB3 CYS 36 HB2 CYS 36 2.063 5.330 7.125
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