![]() |
NMR Restraints Grid |
![]() |
Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
![]() |
633965 |
6mk4 ![]() ![]() |
30521 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 TYR 1 1HT TYR 1 -12.299 -0.238 2.567 2 H2 TYR 1 2HT TYR 1 -12.731 0.415 4.061 3 H3 TYR 1 3HT TYR 1 -11.506 -0.760 3.944 4 HA TYR 1 HA TYR 1 -11.350 1.936 2.773 5 HB2 TYR 1 2HB TYR 1 -9.788 0.686 5.044 6 HB3 TYR 1 1HB TYR 1 -9.549 2.288 4.387 7 HD1 TYR 1 1HD TYR 1 -11.510 0.213 6.641 8 HD2 TYR 1 2HD TYR 1 -11.152 4.086 4.917 9 HE1 TYR 1 1HE TYR 1 -12.959 1.121 8.386 10 HE2 TYR 1 2HE TYR 1 -12.606 4.996 6.653 11 HH TYR 1 HH TYR 1 -14.296 4.261 8.273 12 H CYS 2 H CYS 2 -9.481 2.195 1.518 13 HA CYS 2 HA CYS 2 -7.980 -0.221 0.962 14 HB2 CYS 2 2HB CYS 2 -6.780 1.191 -0.708 15 HB3 CYS 2 1HB CYS 2 -8.511 1.193 -0.988 16 H GLN 3 H GLN 3 -5.586 -0.121 1.226 17 HA GLN 3 HA GLN 3 -5.144 0.994 3.818 18 HB2 GLN 3 2HB GLN 3 -3.251 -0.673 2.145 19 HB3 GLN 3 1HB GLN 3 -3.062 -0.247 3.826 20 HG2 GLN 3 2HG GLN 3 -5.295 -1.924 2.725 21 HG3 GLN 3 1HG GLN 3 -3.848 -2.530 3.529 22 HE21 GLN 3 1HE2 GLN 3 -3.587 -2.120 5.690 23 HE22 GLN 3 2HE2 GLN 3 -4.913 -1.729 6.743 24 H LYS 4 H LYS 4 -4.165 2.680 4.319 25 HA LYS 4 HA LYS 4 -3.337 4.590 2.368 26 HB2 LYS 4 2HB LYS 4 -3.417 4.666 5.382 27 HB3 LYS 4 1HB LYS 4 -3.095 6.064 4.366 28 HG2 LYS 4 2HG LYS 4 -5.307 5.839 3.344 29 HG3 LYS 4 1HG LYS 4 -5.617 4.413 4.327 30 HD2 LYS 4 2HD LYS 4 -6.739 6.336 5.285 31 HD3 LYS 4 1HD LYS 4 -5.441 5.803 6.351 32 HE2 LYS 4 2HE LYS 4 -4.018 7.589 5.585 33 HE3 LYS 4 1HE LYS 4 -5.204 8.069 4.376 34 HZ1 LYS 4 1HZ LYS 4 -5.592 8.172 7.319 35 HZ2 LYS 4 2HZ LYS 4 -6.717 8.693 6.178 36 HZ3 LYS 4 3HZ LYS 4 -5.251 9.495 6.348 37 H TRP 5 H TRP 5 -1.299 5.955 2.996 38 HA TRP 5 HA TRP 5 0.923 4.347 2.394 39 HB2 TRP 5 2HB TRP 5 2.268 6.305 2.434 40 HB3 TRP 5 1HB TRP 5 0.677 6.843 1.911 41 HD1 TRP 5 HD TRP 5 -0.822 8.010 3.961 42 HE1 TRP 5 1HE TRP 5 -0.040 9.577 5.825 43 HE3 TRP 5 3HE TRP 5 4.129 6.854 3.902 44 HZ2 TRP 5 2HZ TRP 5 2.386 10.221 7.125 45 HZ3 TRP 5 3HZ TRP 5 5.616 7.977 5.500 46 HH2 TRP 5 HH TRP 5 4.749 9.627 7.075 47 H MET 6 H MET 6 -0.268 5.449 5.472 48 HA MET 6 HA MET 6 2.144 4.521 6.692 49 HB2 MET 6 2HB MET 6 1.323 5.432 8.848 50 HB3 MET 6 1HB MET 6 1.329 6.626 7.567 51 HG2 MET 6 2HG MET 6 -1.076 6.433 7.340 52 HG3 MET 6 1HG MET 6 -1.100 5.139 8.533 53 HE1 MET 6 1HE MET 6 -0.078 9.536 9.538 54 HE2 MET 6 2HE MET 6 -0.510 8.971 7.922 55 HE3 MET 6 3HE MET 6 1.029 8.498 8.643 56 H TRP 7 H TRP 7 -0.275 2.961 5.520 57 HA TRP 7 HA TRP 7 -0.729 1.126 7.748 58 HB2 TRP 7 2HB TRP 7 -2.326 1.623 5.206 59 HB3 TRP 7 1HB TRP 7 -2.655 0.283 6.290 60 HD1 TRP 7 HD TRP 7 -1.824 3.388 8.159 61 HE1 TRP 7 1HE TRP 7 -3.968 4.493 9.101 62 HE3 TRP 7 3HE TRP 7 -5.334 0.681 5.650 63 HZ2 TRP 7 2HZ TRP 7 -6.747 4.242 8.813 64 HZ3 TRP 7 3HZ TRP 7 -7.694 1.175 6.024 65 HH2 TRP 7 HH TRP 7 -8.392 2.920 7.583 66 H THR 8 H THR 8 -1.230 -1.189 6.567 67 HA THR 8 HA THR 8 1.034 -1.723 4.784 68 HB THR 8 HB THR 8 1.331 -3.868 6.063 69 HG1 THR 8 1HG THR 8 0.117 -3.216 8.332 70 HG21 THR 8 1HG2 THR 8 1.472 -1.387 7.798 71 HG22 THR 8 2HG2 THR 8 2.712 -1.885 6.656 72 HG23 THR 8 3HG2 THR 8 2.359 -2.886 8.069 73 H CYS 9 H CYS 9 0.547 -4.001 3.483 74 HA CYS 9 HA CYS 9 -2.339 -4.361 3.632 75 HB2 CYS 9 2HB CYS 9 -2.480 -4.733 1.247 76 HB3 CYS 9 1HB CYS 9 -1.763 -3.162 1.568 77 H ASP 10 H ASP 10 -2.798 -6.488 2.128 78 HA ASP 10 HA ASP 10 -1.131 -8.687 2.958 79 HB2 ASP 10 2HB ASP 10 -2.598 -8.205 4.967 80 HB3 ASP 10 1HB ASP 10 -3.996 -8.345 3.908 81 H SER 11 H SER 11 -3.019 -10.686 2.311 82 HA SER 11 HA SER 11 -3.224 -10.422 -0.515 83 HB2 SER 11 2HB SER 11 -4.469 -12.492 1.310 84 HB3 SER 11 1HB SER 11 -4.101 -12.669 -0.407 85 HG SER 11 HG SER 11 -1.853 -12.081 0.430 86 H GLU 12 H GLU 12 -5.285 -9.993 2.250 87 HA GLU 12 HA GLU 12 -7.654 -9.602 0.592 88 HB2 GLU 12 2HB GLU 12 -7.371 -9.315 3.573 89 HB3 GLU 12 1HB GLU 12 -8.868 -9.354 2.667 90 HG2 GLU 12 2HG GLU 12 -8.391 -11.671 1.992 91 HG3 GLU 12 1HG GLU 12 -6.923 -11.627 2.966 92 H ARG 13 H ARG 13 -5.805 -7.788 3.015 93 HA ARG 13 HA ARG 13 -7.117 -5.304 2.474 94 HB2 ARG 13 2HB ARG 13 -4.470 -5.829 3.862 95 HB3 ARG 13 1HB ARG 13 -5.310 -4.292 3.847 96 HG2 ARG 13 2HG ARG 13 -7.179 -5.332 5.085 97 HG3 ARG 13 1HG ARG 13 -6.270 -6.845 5.132 98 HD2 ARG 13 2HD ARG 13 -5.333 -4.216 6.294 99 HD3 ARG 13 1HD ARG 13 -6.051 -5.523 7.228 100 HE ARG 13 HE ARG 13 -4.071 -6.868 6.310 101 HH11 ARG 13 1HH1 ARG 13 -3.920 -3.491 7.351 102 HH12 ARG 13 2HH1 ARG 13 -2.241 -3.497 7.602 103 HH21 ARG 13 1HH2 ARG 13 -1.719 -6.879 6.766 104 HH22 ARG 13 2HH2 ARG 13 -0.995 -5.425 7.268 105 H LYS 14 H LYS 14 -6.800 -4.103 0.667 106 HA LYS 14 HA LYS 14 -4.242 -4.357 -0.760 107 HB2 LYS 14 2HB LYS 14 -6.913 -3.317 -1.697 108 HB3 LYS 14 1HB LYS 14 -5.441 -3.278 -2.647 109 HG2 LYS 14 2HG LYS 14 -5.371 -5.721 -2.610 110 HG3 LYS 14 1HG LYS 14 -6.884 -5.739 -1.691 111 HD2 LYS 14 2HD LYS 14 -8.023 -4.613 -3.512 112 HD3 LYS 14 1HD LYS 14 -6.512 -4.491 -4.410 113 HE2 LYS 14 2HE LYS 14 -6.385 -6.935 -4.508 114 HE3 LYS 14 1HE LYS 14 -7.914 -7.048 -3.638 115 HZ1 LYS 14 1HZ LYS 14 -7.521 -5.770 -6.283 116 HZ2 LYS 14 2HZ LYS 14 -8.969 -5.850 -5.463 117 HZ3 LYS 14 3HZ LYS 14 -8.249 -7.270 -6.017 118 H CYS 15 H CYS 15 -3.013 -2.560 -1.206 119 HA CYS 15 HA CYS 15 -3.450 -0.178 0.359 120 HB2 CYS 15 2HB CYS 15 -1.420 -0.725 -1.820 121 HB3 CYS 15 1HB CYS 15 -1.408 0.656 -0.729 122 H CYS 16 H CYS 16 -3.825 1.880 -0.410 123 HA CYS 16 HA CYS 16 -5.734 2.093 -2.447 124 HB2 CYS 16 2HB CYS 16 -3.957 4.280 -1.355 125 HB3 CYS 16 1HB CYS 16 -5.500 4.502 -2.173 126 H LYS 17 H LYS 17 -5.590 2.810 -4.568 127 HA LYS 17 HA LYS 17 -3.374 2.003 -6.066 128 HB2 LYS 17 2HB LYS 17 -5.618 3.862 -6.836 129 HB3 LYS 17 1HB LYS 17 -4.496 3.122 -7.969 130 HG2 LYS 17 2HG LYS 17 -5.338 0.913 -7.345 131 HG3 LYS 17 1HG LYS 17 -6.457 1.665 -6.204 132 HD2 LYS 17 2HD LYS 17 -7.510 2.886 -8.068 133 HD3 LYS 17 1HD LYS 17 -6.409 2.092 -9.192 134 HE2 LYS 17 2HE LYS 17 -7.325 -0.086 -8.557 135 HE3 LYS 17 1HE LYS 17 -8.406 0.706 -7.417 136 HZ1 LYS 17 1HZ LYS 17 -9.529 1.795 -9.219 137 HZ2 LYS 17 2HZ LYS 17 -9.467 0.145 -9.556 138 HZ3 LYS 17 3HZ LYS 17 -8.430 1.192 -10.345 139 H GLY 18 H GLY 18 -1.677 3.052 -6.929 140 HA2 GLY 18 2HA GLY 18 -0.500 5.117 -7.484 141 HA3 GLY 18 1HA GLY 18 -1.282 5.861 -6.085 142 H MET 19 H MET 19 -0.949 3.177 -4.787 143 HA MET 19 HA MET 19 1.894 3.278 -4.126 144 HB2 MET 19 2HB MET 19 -0.496 2.765 -2.334 145 HB3 MET 19 1HB MET 19 1.154 2.383 -1.864 146 HG2 MET 19 2HG MET 19 1.776 4.682 -1.995 147 HG3 MET 19 1HG MET 19 0.165 5.149 -2.571 148 HE1 MET 19 1HE MET 19 -1.933 4.464 0.668 149 HE2 MET 19 2HE MET 19 -1.664 3.340 -0.660 150 HE3 MET 19 3HE MET 19 -1.968 5.048 -0.995 151 H VAL 20 H VAL 20 2.660 1.120 -3.415 152 HA VAL 20 HA VAL 20 1.226 -0.907 -4.958 153 HB VAL 20 HB VAL 20 3.368 -2.138 -5.105 154 HG11 VAL 20 1HG1 VAL 20 3.523 0.695 -6.111 155 HG12 VAL 20 2HG1 VAL 20 2.723 -0.656 -6.913 156 HG13 VAL 20 3HG1 VAL 20 4.475 -0.664 -6.710 157 HG21 VAL 20 1HG2 VAL 20 5.480 -1.014 -4.507 158 HG22 VAL 20 2HG2 VAL 20 4.469 -1.304 -3.093 159 HG23 VAL 20 3HG2 VAL 20 4.561 0.311 -3.794 160 H CYS 21 H CYS 21 0.842 -2.889 -4.102 161 HA CYS 21 HA CYS 21 0.593 -2.931 -1.249 162 HB2 CYS 21 2HB CYS 21 -1.155 -3.806 -2.846 163 HB3 CYS 21 1HB CYS 21 -0.050 -5.109 -3.253 164 H ARG 22 H ARG 22 1.919 -3.864 0.129 165 HA ARG 22 HA ARG 22 3.762 -5.931 -0.508 166 HB2 ARG 22 2HB ARG 22 4.824 -3.818 -1.427 167 HB3 ARG 22 1HB ARG 22 4.724 -3.114 0.168 168 HG2 ARG 22 2HG ARG 22 6.993 -3.881 -0.472 169 HG3 ARG 22 1HG ARG 22 6.393 -4.641 1.000 170 HD2 ARG 22 2HD ARG 22 7.538 -6.197 -0.569 171 HD3 ARG 22 1HD ARG 22 5.889 -6.654 -0.169 172 HE ARG 22 HE ARG 22 6.387 -5.158 -2.621 173 HH11 ARG 22 1HH1 ARG 22 5.545 -8.227 -1.067 174 HH12 ARG 22 2HH1 ARG 22 4.940 -8.951 -2.493 175 HH21 ARG 22 1HH2 ARG 22 5.535 -6.178 -4.577 176 HH22 ARG 22 2HH2 ARG 22 4.937 -7.773 -4.517 177 H LEU 23 H LEU 23 5.236 -5.961 1.716 178 HA LEU 23 HA LEU 23 3.810 -6.565 3.936 179 HB2 LEU 23 2HB LEU 23 6.515 -5.238 3.821 180 HB3 LEU 23 1HB LEU 23 5.852 -5.978 5.263 181 HG LEU 23 HG LEU 23 6.503 -7.438 2.697 182 HD11 LEU 23 1HD1 LEU 23 7.965 -7.344 5.332 183 HD12 LEU 23 2HD1 LEU 23 8.510 -6.620 3.819 184 HD13 LEU 23 3HD1 LEU 23 8.374 -8.374 3.961 185 HD21 LEU 23 1HD2 LEU 23 4.699 -8.505 3.951 186 HD22 LEU 23 2HD2 LEU 23 5.673 -8.441 5.419 187 HD23 LEU 23 3HD2 LEU 23 6.181 -9.452 4.070 188 H TRP 24 H TRP 24 4.742 -3.365 2.855 189 HA TRP 24 HA TRP 24 2.789 -2.299 4.657 190 HB2 TRP 24 2HB TRP 24 4.178 -0.470 5.352 191 HB3 TRP 24 1HB TRP 24 5.169 -1.904 5.554 192 HD1 TRP 24 HD TRP 24 4.953 1.314 3.798 193 HE1 TRP 24 1HE TRP 24 7.093 1.724 2.346 194 HE3 TRP 24 3HE TRP 24 7.004 -3.299 4.127 195 HZ2 TRP 24 2HZ TRP 24 9.325 0.233 1.492 196 HZ3 TRP 24 3HZ TRP 24 9.132 -3.761 2.969 197 HH2 TRP 24 HH TRP 24 10.257 -2.019 1.678 198 H CYS 25 H CYS 25 2.045 -0.095 3.668 199 HA CYS 25 HA CYS 25 1.945 -0.428 0.818 200 HB2 CYS 25 2HB CYS 25 0.697 1.635 2.632 201 HB3 CYS 25 1HB CYS 25 0.425 1.546 0.891 202 H LYS 26 H LYS 26 3.227 0.456 -0.580 203 HA LYS 26 HA LYS 26 4.960 2.656 0.316 204 HB2 LYS 26 2HB LYS 26 6.204 0.571 0.174 205 HB3 LYS 26 1HB LYS 26 5.617 0.304 -1.460 206 HG2 LYS 26 2HG LYS 26 6.852 2.138 -2.288 207 HG3 LYS 26 1HG LYS 26 7.283 2.663 -0.670 208 HD2 LYS 26 2HD LYS 26 9.212 1.548 -1.599 209 HD3 LYS 26 1HD LYS 26 8.508 0.447 -0.422 210 HE2 LYS 26 2HE LYS 26 9.113 -0.804 -2.385 211 HE3 LYS 26 1HE LYS 26 7.357 -0.732 -2.288 212 HZ1 LYS 26 1HZ LYS 26 8.195 -0.326 -4.542 213 HZ2 LYS 26 2HZ LYS 26 9.048 1.016 -3.988 214 HZ3 LYS 26 3HZ LYS 26 7.389 1.041 -3.975 215 H LYS 27 H LYS 27 5.015 4.414 -0.985 216 HA LYS 27 HA LYS 27 3.222 4.751 -3.120 217 HB2 LYS 27 2HB LYS 27 4.443 6.821 -3.608 218 HB3 LYS 27 1HB LYS 27 4.045 6.665 -1.908 219 HG2 LYS 27 2HG LYS 27 6.365 5.956 -1.460 220 HG3 LYS 27 1HG LYS 27 6.737 6.166 -3.171 221 HD2 LYS 27 2HD LYS 27 6.102 8.544 -2.987 222 HD3 LYS 27 1HD LYS 27 5.811 8.313 -1.267 223 HE2 LYS 27 2HE LYS 27 8.148 7.664 -0.954 224 HE3 LYS 27 1HE LYS 27 8.442 7.893 -2.671 225 HZ1 LYS 27 1HZ LYS 27 9.158 9.816 -1.410 226 HZ2 LYS 27 2HZ LYS 27 7.638 10.028 -0.758 227 HZ3 LYS 27 3HZ LYS 27 7.875 10.231 -2.420 228 H LYS 28 H LYS 28 3.343 4.735 -5.235 229 HA LYS 28 HA LYS 28 5.236 2.847 -6.237 230 HB2 LYS 28 2HB LYS 28 2.847 2.743 -6.845 231 HB3 LYS 28 1HB LYS 28 2.992 4.294 -7.644 232 HG2 LYS 28 2HG LYS 28 4.411 3.374 -9.327 233 HG3 LYS 28 1HG LYS 28 4.536 1.844 -8.454 234 HD2 LYS 28 2HD LYS 28 2.148 1.470 -8.740 235 HD3 LYS 28 1HD LYS 28 1.998 3.014 -9.571 236 HE2 LYS 28 2HE LYS 28 2.048 1.101 -11.118 237 HE3 LYS 28 1HE LYS 28 3.379 2.219 -11.387 238 HZ1 LYS 28 1HZ LYS 28 4.867 0.703 -10.289 239 HZ2 LYS 28 2HZ LYS 28 4.020 -0.120 -11.483 240 HZ3 LYS 28 3HZ LYS 28 3.588 -0.335 -9.879 241 H LEU 29 H LEU 29 7.144 3.680 -6.362 242 HA LEU 29 HA LEU 29 7.696 6.269 -7.532 243 HB2 LEU 29 2HB LEU 29 8.939 5.363 -5.581 244 HB3 LEU 29 1HB LEU 29 9.534 4.063 -6.586 245 HG LEU 29 HG LEU 29 10.747 5.749 -7.958 246 HD11 LEU 29 1HD1 LEU 29 9.354 7.685 -7.491 247 HD12 LEU 29 2HD1 LEU 29 11.033 8.005 -7.054 248 HD13 LEU 29 3HD1 LEU 29 9.846 7.651 -5.797 249 HD21 LEU 29 1HD2 LEU 29 11.879 4.531 -6.185 250 HD22 LEU 29 2HD2 LEU 29 11.352 5.732 -5.007 251 HD23 LEU 29 3HD2 LEU 29 12.484 6.185 -6.280 252 H TRP 30 H TRP 30 7.605 2.946 -8.368 253 HA TRP 30 HA TRP 30 8.486 3.559 -11.083 254 HB2 TRP 30 2HB TRP 30 10.092 2.101 -9.754 255 HB3 TRP 30 1HB TRP 30 8.810 0.902 -9.661 256 HD1 TRP 30 HD TRP 30 11.424 2.331 -11.978 257 HE1 TRP 30 1HE TRP 30 11.584 0.873 -14.107 258 HE3 TRP 30 3HE TRP 30 7.319 -0.607 -11.266 259 HZ2 TRP 30 2HZ TRP 30 10.152 -1.224 -15.314 260 HZ3 TRP 30 3HZ TRP 30 6.778 -2.321 -12.955 261 HH2 TRP 30 HH TRP 30 8.164 -2.613 -14.933 Start of MODEL 2 1 H1 TYR 1 1HT TYR 1 -12.940 -1.247 3.717 2 H2 TYR 1 2HT TYR 1 -12.183 -1.824 2.317 3 H3 TYR 1 3HT TYR 1 -12.778 -0.259 2.359 4 HA TYR 1 HA TYR 1 -11.186 0.376 4.013 5 HB2 TYR 1 2HB TYR 1 -10.154 -2.444 3.573 6 HB3 TYR 1 1HB TYR 1 -9.286 -1.185 4.421 7 HD1 TYR 1 1HD TYR 1 -12.374 -3.298 4.564 8 HD2 TYR 1 2HD TYR 1 -9.556 -0.947 6.724 9 HE1 TYR 1 1HE TYR 1 -13.278 -4.147 6.653 10 HE2 TYR 1 2HE TYR 1 -10.470 -1.783 8.825 11 HH TYR 1 HH TYR 1 -12.398 -2.825 9.715 12 H CYS 2 H CYS 2 -9.134 1.150 3.277 13 HA CYS 2 HA CYS 2 -7.990 0.108 0.872 14 HB2 CYS 2 2HB CYS 2 -9.579 2.056 0.210 15 HB3 CYS 2 1HB CYS 2 -8.453 3.036 1.182 16 H GLN 3 H GLN 3 -5.932 0.320 1.082 17 HA GLN 3 HA GLN 3 -5.157 1.079 3.762 18 HB2 GLN 3 2HB GLN 3 -3.352 -0.381 1.814 19 HB3 GLN 3 1HB GLN 3 -3.082 -0.095 3.505 20 HG2 GLN 3 2HG GLN 3 -5.324 -1.764 2.418 21 HG3 GLN 3 1HG GLN 3 -3.810 -2.375 3.081 22 HE21 GLN 3 1HE2 GLN 3 -3.426 -2.179 5.301 23 HE22 GLN 3 2HE2 GLN 3 -4.738 -1.949 6.398 24 H LYS 4 H LYS 4 -3.969 2.654 4.329 25 HA LYS 4 HA LYS 4 -3.179 4.634 2.363 26 HB2 LYS 4 2HB LYS 4 -3.072 4.647 5.376 27 HB3 LYS 4 1HB LYS 4 -2.756 6.030 4.338 28 HG2 LYS 4 2HG LYS 4 -5.339 4.538 4.463 29 HG3 LYS 4 1HG LYS 4 -5.027 5.996 5.416 30 HD2 LYS 4 2HD LYS 4 -4.991 5.809 2.387 31 HD3 LYS 4 1HD LYS 4 -6.337 6.415 3.343 32 HE2 LYS 4 2HE LYS 4 -3.566 7.597 3.293 33 HE3 LYS 4 1HE LYS 4 -4.949 8.223 2.406 34 HZ1 LYS 4 1HZ LYS 4 -4.611 9.451 4.457 35 HZ2 LYS 4 2HZ LYS 4 -4.679 8.046 5.356 36 HZ3 LYS 4 3HZ LYS 4 -6.060 8.581 4.568 37 H TRP 5 H TRP 5 -1.056 5.722 2.875 38 HA TRP 5 HA TRP 5 1.019 3.753 2.576 39 HB2 TRP 5 2HB TRP 5 2.532 5.519 2.110 40 HB3 TRP 5 1HB TRP 5 0.995 6.062 1.455 41 HD1 TRP 5 HD TRP 5 -0.353 7.905 3.165 42 HE1 TRP 5 1HE TRP 5 0.678 9.812 4.548 43 HE3 TRP 5 3HE TRP 5 4.491 6.281 3.323 44 HZ2 TRP 5 2HZ TRP 5 3.219 10.531 5.570 45 HZ3 TRP 5 3HZ TRP 5 6.147 7.637 4.533 46 HH2 TRP 5 HH TRP 5 5.514 9.716 5.626 47 H MET 6 H MET 6 -0.404 5.178 5.195 48 HA MET 6 HA MET 6 1.895 5.001 6.925 49 HB2 MET 6 2HB MET 6 0.409 5.785 8.704 50 HB3 MET 6 1HB MET 6 0.284 6.817 7.288 51 HG2 MET 6 2HG MET 6 -1.779 5.667 6.647 52 HG3 MET 6 1HG MET 6 -1.660 4.660 8.083 53 HE1 MET 6 1HE MET 6 -0.623 6.858 10.236 54 HE2 MET 6 2HE MET 6 -1.818 5.600 10.540 55 HE3 MET 6 3HE MET 6 -2.181 7.279 10.950 56 H TRP 7 H TRP 7 -0.266 2.831 5.642 57 HA TRP 7 HA TRP 7 -0.123 1.067 7.986 58 HB2 TRP 7 2HB TRP 7 -2.211 1.047 5.788 59 HB3 TRP 7 1HB TRP 7 -2.138 -0.072 7.135 60 HD1 TRP 7 HD TRP 7 -1.549 2.471 9.257 61 HE1 TRP 7 1HE TRP 7 -3.615 3.847 9.963 62 HE3 TRP 7 3HE TRP 7 -4.703 1.103 5.555 63 HZ2 TRP 7 2HZ TRP 7 -6.254 4.281 9.043 64 HZ3 TRP 7 3HZ TRP 7 -6.990 2.024 5.509 65 HH2 TRP 7 HH TRP 7 -7.743 3.574 7.228 66 H THR 8 H THR 8 -0.677 -1.285 6.935 67 HA THR 8 HA THR 8 1.332 -1.718 4.857 68 HB THR 8 HB THR 8 1.740 -3.901 6.033 69 HG1 THR 8 1HG THR 8 0.314 -4.489 7.434 70 HG21 THR 8 1HG2 THR 8 2.929 -3.010 7.984 71 HG22 THR 8 2HG2 THR 8 2.026 -1.502 7.853 72 HG23 THR 8 3HG2 THR 8 3.169 -1.953 6.592 73 H CYS 9 H CYS 9 0.683 -3.843 3.455 74 HA CYS 9 HA CYS 9 -2.137 -4.273 3.934 75 HB2 CYS 9 2HB CYS 9 -2.410 -4.707 1.447 76 HB3 CYS 9 1HB CYS 9 -2.235 -3.031 1.901 77 H ASP 10 H ASP 10 -2.929 -6.192 3.863 78 HA ASP 10 HA ASP 10 -1.075 -8.416 3.838 79 HB2 ASP 10 2HB ASP 10 -4.022 -8.246 4.588 80 HB3 ASP 10 1HB ASP 10 -3.000 -9.661 4.791 81 H SER 11 H SER 11 -2.748 -10.443 2.936 82 HA SER 11 HA SER 11 -2.417 -10.151 0.171 83 HB2 SER 11 2HB SER 11 -4.121 -12.201 1.576 84 HB3 SER 11 1HB SER 11 -3.292 -12.350 0.030 85 HG SER 11 HG SER 11 -2.401 -13.106 2.266 86 H GLU 12 H GLU 12 -5.344 -10.106 2.214 87 HA GLU 12 HA GLU 12 -6.939 -9.485 -0.132 88 HB2 GLU 12 2HB GLU 12 -7.721 -10.046 2.712 89 HB3 GLU 12 1HB GLU 12 -8.870 -9.637 1.444 90 HG2 GLU 12 2HG GLU 12 -7.018 -11.987 1.459 91 HG3 GLU 12 1HG GLU 12 -8.741 -12.040 1.849 92 H ARG 13 H ARG 13 -5.141 -7.728 1.896 93 HA ARG 13 HA ARG 13 -7.046 -5.550 2.091 94 HB2 ARG 13 2HB ARG 13 -4.171 -5.671 2.916 95 HB3 ARG 13 1HB ARG 13 -5.126 -4.206 3.013 96 HG2 ARG 13 2HG ARG 13 -5.489 -6.753 4.560 97 HG3 ARG 13 1HG ARG 13 -5.006 -5.171 5.183 98 HD2 ARG 13 2HD ARG 13 -7.225 -5.188 5.773 99 HD3 ARG 13 1HD ARG 13 -7.347 -4.471 4.169 100 HE ARG 13 HE ARG 13 -7.484 -7.317 4.194 101 HH11 ARG 13 1HH1 ARG 13 -9.394 -4.375 4.331 102 HH12 ARG 13 2HH1 ARG 13 -10.892 -5.164 4.065 103 HH21 ARG 13 1HH2 ARG 13 -9.543 -8.421 3.867 104 HH22 ARG 13 2HH2 ARG 13 -10.969 -7.507 3.784 105 H LYS 14 H LYS 14 -7.374 -4.291 0.599 106 HA LYS 14 HA LYS 14 -5.538 -4.115 -1.636 107 HB2 LYS 14 2HB LYS 14 -8.351 -3.051 -1.317 108 HB3 LYS 14 1HB LYS 14 -7.406 -2.986 -2.800 109 HG2 LYS 14 2HG LYS 14 -7.367 -5.410 -2.926 110 HG3 LYS 14 1HG LYS 14 -8.222 -5.528 -1.395 111 HD2 LYS 14 2HD LYS 14 -9.763 -5.911 -3.199 112 HD3 LYS 14 1HD LYS 14 -10.156 -4.370 -2.440 113 HE2 LYS 14 2HE LYS 14 -9.028 -3.181 -4.241 114 HE3 LYS 14 1HE LYS 14 -8.551 -4.711 -4.974 115 HZ1 LYS 14 1HZ LYS 14 -10.871 -5.238 -5.306 116 HZ2 LYS 14 2HZ LYS 14 -10.491 -3.787 -6.066 117 HZ3 LYS 14 3HZ LYS 14 -11.351 -3.777 -4.609 118 H CYS 15 H CYS 15 -4.056 -2.722 -1.484 119 HA CYS 15 HA CYS 15 -4.249 -0.392 0.183 120 HB2 CYS 15 2HB CYS 15 -2.164 -1.835 -0.119 121 HB3 CYS 15 1HB CYS 15 -2.034 -1.164 -1.736 122 H CYS 16 H CYS 16 -3.955 1.799 -0.641 123 HA CYS 16 HA CYS 16 -5.786 2.226 -2.700 124 HB2 CYS 16 2HB CYS 16 -3.956 4.138 -1.266 125 HB3 CYS 16 1HB CYS 16 -5.202 4.644 -2.408 126 H LYS 17 H LYS 17 -5.614 3.247 -4.701 127 HA LYS 17 HA LYS 17 -3.554 2.090 -6.238 128 HB2 LYS 17 2HB LYS 17 -5.863 2.351 -7.053 129 HB3 LYS 17 1HB LYS 17 -5.661 4.094 -7.063 130 HG2 LYS 17 2HG LYS 17 -3.997 3.936 -8.804 131 HG3 LYS 17 1HG LYS 17 -4.037 2.174 -8.720 132 HD2 LYS 17 2HD LYS 17 -6.415 2.235 -9.363 133 HD3 LYS 17 1HD LYS 17 -6.297 3.983 -9.546 134 HE2 LYS 17 2HE LYS 17 -4.703 3.752 -11.320 135 HE3 LYS 17 1HE LYS 17 -4.586 2.014 -11.051 136 HZ1 LYS 17 1HZ LYS 17 -6.892 1.799 -11.703 137 HZ2 LYS 17 2HZ LYS 17 -5.979 2.528 -12.934 138 HZ3 LYS 17 3HZ LYS 17 -7.004 3.461 -11.966 139 H GLY 18 H GLY 18 -1.746 2.877 -6.960 140 HA2 GLY 18 2HA GLY 18 -0.364 4.749 -7.690 141 HA3 GLY 18 1HA GLY 18 -1.125 5.715 -6.422 142 H MET 19 H MET 19 -1.051 3.151 -4.797 143 HA MET 19 HA MET 19 1.678 3.447 -3.783 144 HB2 MET 19 2HB MET 19 -0.826 2.276 -2.540 145 HB3 MET 19 1HB MET 19 0.754 2.296 -1.771 146 HG2 MET 19 2HG MET 19 0.761 4.600 -1.625 147 HG3 MET 19 1HG MET 19 -0.703 4.790 -2.617 148 HE1 MET 19 1HE MET 19 -2.035 6.241 -0.957 149 HE2 MET 19 2HE MET 19 -0.528 6.384 -0.056 150 HE3 MET 19 3HE MET 19 -2.029 6.001 0.791 151 H VAL 20 H VAL 20 2.702 1.449 -3.161 152 HA VAL 20 HA VAL 20 1.872 -0.748 -4.906 153 HB VAL 20 HB VAL 20 4.619 -0.161 -3.717 154 HG11 VAL 20 1HG1 VAL 20 3.756 -2.451 -5.499 155 HG12 VAL 20 2HG1 VAL 20 4.204 -2.586 -3.799 156 HG13 VAL 20 3HG1 VAL 20 5.410 -2.108 -4.995 157 HG21 VAL 20 1HG2 VAL 20 5.312 0.157 -6.025 158 HG22 VAL 20 2HG2 VAL 20 3.962 1.238 -5.645 159 HG23 VAL 20 3HG2 VAL 20 3.684 -0.223 -6.579 160 H CYS 21 H CYS 21 1.030 -2.408 -3.994 161 HA CYS 21 HA CYS 21 0.829 -2.546 -1.149 162 HB2 CYS 21 2HB CYS 21 -1.045 -3.160 -2.731 163 HB3 CYS 21 1HB CYS 21 -0.111 -4.579 -3.187 164 H ARG 22 H ARG 22 1.966 -3.789 0.163 165 HA ARG 22 HA ARG 22 3.534 -5.995 -0.709 166 HB2 ARG 22 2HB ARG 22 4.764 -3.692 -1.192 167 HB3 ARG 22 1HB ARG 22 4.947 -3.635 0.545 168 HG2 ARG 22 2HG ARG 22 6.978 -4.454 -0.271 169 HG3 ARG 22 1HG ARG 22 6.149 -5.883 0.331 170 HD2 ARG 22 2HD ARG 22 6.155 -5.001 -2.555 171 HD3 ARG 22 1HD ARG 22 7.279 -6.178 -1.893 172 HE ARG 22 HE ARG 22 4.673 -7.016 -1.348 173 HH11 ARG 22 1HH1 ARG 22 6.826 -6.628 -4.115 174 HH12 ARG 22 2HH1 ARG 22 6.100 -7.871 -5.022 175 HH21 ARG 22 1HH2 ARG 22 3.647 -8.684 -2.589 176 HH22 ARG 22 2HH2 ARG 22 4.253 -9.073 -4.127 177 H LEU 23 H LEU 23 4.957 -6.351 1.553 178 HA LEU 23 HA LEU 23 3.333 -6.888 3.684 179 HB2 LEU 23 2HB LEU 23 6.237 -6.051 3.817 180 HB3 LEU 23 1HB LEU 23 5.366 -6.875 5.093 181 HG LEU 23 HG LEU 23 5.994 -8.021 2.371 182 HD11 LEU 23 1HD1 LEU 23 7.968 -7.799 3.749 183 HD12 LEU 23 2HD1 LEU 23 7.508 -9.490 3.560 184 HD13 LEU 23 3HD1 LEU 23 7.155 -8.645 5.066 185 HD21 LEU 23 1HD2 LEU 23 3.897 -8.911 3.248 186 HD22 LEU 23 2HD2 LEU 23 4.689 -9.283 4.780 187 HD23 LEU 23 3HD2 LEU 23 5.167 -10.131 3.311 188 H TRP 24 H TRP 24 4.602 -3.837 2.715 189 HA TRP 24 HA TRP 24 2.992 -2.561 4.735 190 HB2 TRP 24 2HB TRP 24 4.657 -0.868 5.165 191 HB3 TRP 24 1HB TRP 24 5.486 -2.408 5.302 192 HD1 TRP 24 HD TRP 24 5.464 0.793 3.436 193 HE1 TRP 24 1HE TRP 24 7.414 0.889 1.752 194 HE3 TRP 24 3HE TRP 24 6.942 -4.065 3.693 195 HZ2 TRP 24 2HZ TRP 24 9.328 -0.909 0.656 196 HZ3 TRP 24 3HZ TRP 24 8.832 -4.814 2.292 197 HH2 TRP 24 HH TRP 24 9.994 -3.259 0.812 198 H CYS 25 H CYS 25 2.214 -0.363 3.814 199 HA CYS 25 HA CYS 25 2.077 -0.523 0.934 200 HB2 CYS 25 2HB CYS 25 0.686 1.201 2.957 201 HB3 CYS 25 1HB CYS 25 0.677 1.636 1.253 202 H LYS 26 H LYS 26 3.116 0.681 -0.446 203 HA LYS 26 HA LYS 26 5.053 2.597 0.640 204 HB2 LYS 26 2HB LYS 26 6.067 0.540 -0.260 205 HB3 LYS 26 1HB LYS 26 5.220 0.782 -1.776 206 HG2 LYS 26 2HG LYS 26 6.497 2.829 -2.161 207 HG3 LYS 26 1HG LYS 26 7.342 2.580 -0.632 208 HD2 LYS 26 2HD LYS 26 8.238 0.468 -1.458 209 HD3 LYS 26 1HD LYS 26 7.373 0.686 -2.979 210 HE2 LYS 26 2HE LYS 26 9.698 1.326 -3.243 211 HE3 LYS 26 1HE LYS 26 8.653 2.732 -3.398 212 HZ1 LYS 26 1HZ LYS 26 9.213 3.373 -1.133 213 HZ2 LYS 26 2HZ LYS 26 10.625 3.185 -2.021 214 HZ3 LYS 26 3HZ LYS 26 10.149 1.995 -0.947 215 H LYS 27 H LYS 27 4.735 4.622 -0.063 216 HA LYS 27 HA LYS 27 2.634 5.081 -2.010 217 HB2 LYS 27 2HB LYS 27 2.704 7.380 -1.356 218 HB3 LYS 27 1HB LYS 27 2.869 6.447 0.119 219 HG2 LYS 27 2HG LYS 27 5.277 6.865 0.100 220 HG3 LYS 27 1HG LYS 27 5.097 7.801 -1.386 221 HD2 LYS 27 2HD LYS 27 3.471 9.255 -0.106 222 HD3 LYS 27 1HD LYS 27 4.015 8.422 1.352 223 HE2 LYS 27 2HE LYS 27 5.696 10.039 -0.551 224 HE3 LYS 27 1HE LYS 27 5.238 10.486 1.088 225 HZ1 LYS 27 1HZ LYS 27 6.571 8.598 1.902 226 HZ2 LYS 27 2HZ LYS 27 7.490 9.670 0.981 227 HZ3 LYS 27 3HZ LYS 27 7.008 8.227 0.319 228 H LYS 28 H LYS 28 3.101 6.855 -3.667 229 HA LYS 28 HA LYS 28 5.251 5.939 -5.253 230 HB2 LYS 28 2HB LYS 28 4.604 7.630 -6.876 231 HB3 LYS 28 1HB LYS 28 3.206 6.763 -6.279 232 HG2 LYS 28 2HG LYS 28 2.861 8.724 -4.708 233 HG3 LYS 28 1HG LYS 28 4.052 9.574 -5.702 234 HD2 LYS 28 2HD LYS 28 2.676 9.004 -7.699 235 HD3 LYS 28 1HD LYS 28 1.456 8.364 -6.610 236 HE2 LYS 28 2HE LYS 28 0.764 10.552 -7.117 237 HE3 LYS 28 1HE LYS 28 1.449 10.567 -5.484 238 HZ1 LYS 28 1HZ LYS 28 2.928 11.414 -7.915 239 HZ2 LYS 28 2HZ LYS 28 3.457 11.588 -6.312 240 HZ3 LYS 28 3HZ LYS 28 2.144 12.470 -6.871 241 H LEU 29 H LEU 29 6.997 7.263 -6.110 242 HA LEU 29 HA LEU 29 8.714 7.964 -4.059 243 HB2 LEU 29 2HB LEU 29 9.415 7.206 -6.294 244 HB3 LEU 29 1HB LEU 29 8.902 8.733 -6.968 245 HG LEU 29 HG LEU 29 10.656 9.894 -5.681 246 HD11 LEU 29 1HD1 LEU 29 12.396 8.592 -4.554 247 HD12 LEU 29 2HD1 LEU 29 11.471 7.116 -4.832 248 HD13 LEU 29 3HD1 LEU 29 10.826 8.378 -3.784 249 HD21 LEU 29 1HD2 LEU 29 11.108 9.135 -7.956 250 HD22 LEU 29 2HD2 LEU 29 11.652 7.580 -7.336 251 HD23 LEU 29 3HD2 LEU 29 12.560 9.043 -6.960 252 H TRP 30 H TRP 30 6.879 10.107 -6.195 253 HA TRP 30 HA TRP 30 6.864 12.095 -4.139 254 HB2 TRP 30 2HB TRP 30 8.958 12.628 -5.328 255 HB3 TRP 30 1HB TRP 30 8.089 12.701 -6.850 256 HD1 TRP 30 HD TRP 30 7.554 15.092 -7.577 257 HE1 TRP 30 1HE TRP 30 7.249 17.374 -6.399 258 HE3 TRP 30 3HE TRP 30 8.000 13.580 -2.719 259 HZ2 TRP 30 2HZ TRP 30 7.178 18.377 -3.775 260 HZ3 TRP 30 3HZ TRP 30 7.794 15.262 -0.934 261 HH2 TRP 30 HH TRP 30 7.392 17.608 -1.454 Start of MODEL 3 1 H1 TYR 1 1HT TYR 1 -10.795 1.494 3.607 2 H2 TYR 1 2HT TYR 1 -11.528 0.018 3.305 3 H3 TYR 1 3HT TYR 1 -12.474 1.385 3.526 4 HA TYR 1 HA TYR 1 -12.393 0.760 1.236 5 HB2 TYR 1 2HB TYR 1 -12.550 3.196 1.951 6 HB3 TYR 1 1HB TYR 1 -10.815 3.311 1.713 7 HD1 TYR 1 1HD TYR 1 -9.868 3.293 -0.569 8 HD2 TYR 1 2HD TYR 1 -14.072 3.135 0.075 9 HE1 TYR 1 1HE TYR 1 -10.239 3.881 -2.907 10 HE2 TYR 1 2HE TYR 1 -14.459 3.719 -2.261 11 HH TYR 1 HH TYR 1 -13.257 4.859 -4.082 12 H CYS 2 H CYS 2 -9.153 2.032 2.168 13 HA CYS 2 HA CYS 2 -7.907 -0.227 0.991 14 HB2 CYS 2 2HB CYS 2 -6.522 1.119 -0.598 15 HB3 CYS 2 1HB CYS 2 -8.217 1.026 -1.053 16 H GLN 3 H GLN 3 -5.584 -0.128 1.336 17 HA GLN 3 HA GLN 3 -5.044 1.045 3.901 18 HB2 GLN 3 2HB GLN 3 -3.152 -0.509 2.126 19 HB3 GLN 3 1HB GLN 3 -3.019 -0.227 3.844 20 HG2 GLN 3 2HG GLN 3 -5.140 -1.877 2.511 21 HG3 GLN 3 1HG GLN 3 -3.739 -2.509 3.364 22 HE21 GLN 3 1HE2 GLN 3 -3.654 -2.248 5.597 23 HE22 GLN 3 2HE2 GLN 3 -5.075 -1.937 6.543 24 H LYS 4 H LYS 4 -3.942 2.806 4.250 25 HA LYS 4 HA LYS 4 -3.131 4.489 2.048 26 HB2 LYS 4 2HB LYS 4 -2.959 5.000 5.021 27 HB3 LYS 4 1HB LYS 4 -2.832 6.192 3.735 28 HG2 LYS 4 2HG LYS 4 -5.161 5.823 3.137 29 HG3 LYS 4 1HG LYS 4 -5.289 4.585 4.388 30 HD2 LYS 4 2HD LYS 4 -4.746 6.277 6.091 31 HD3 LYS 4 1HD LYS 4 -4.682 7.508 4.829 32 HE2 LYS 4 2HE LYS 4 -7.096 5.852 5.569 33 HE3 LYS 4 1HE LYS 4 -6.825 7.532 6.017 34 HZ1 LYS 4 1HZ LYS 4 -7.163 6.510 3.235 35 HZ2 LYS 4 2HZ LYS 4 -6.855 8.102 3.643 36 HZ3 LYS 4 3HZ LYS 4 -8.281 7.378 4.125 37 H TRP 5 H TRP 5 -0.973 5.816 2.675 38 HA TRP 5 HA TRP 5 1.091 3.957 2.174 39 HB2 TRP 5 2HB TRP 5 2.614 5.873 2.118 40 HB3 TRP 5 1HB TRP 5 1.145 6.219 1.221 41 HD1 TRP 5 HD TRP 5 3.074 7.263 4.348 42 HE1 TRP 5 1HE TRP 5 2.111 9.472 5.235 43 HE3 TRP 5 3HE TRP 5 -1.022 7.678 1.300 44 HZ2 TRP 5 2HZ TRP 5 -0.061 11.141 4.739 45 HZ3 TRP 5 3HZ TRP 5 -2.487 9.624 1.581 46 HH2 TRP 5 HH TRP 5 -2.012 11.327 3.265 47 H MET 6 H MET 6 -0.021 5.385 5.126 48 HA MET 6 HA MET 6 2.369 4.556 6.561 49 HB2 MET 6 2HB MET 6 1.234 6.715 7.115 50 HB3 MET 6 1HB MET 6 -0.188 5.812 7.596 51 HG2 MET 6 2HG MET 6 0.973 4.780 9.393 52 HG3 MET 6 1HG MET 6 2.492 5.461 8.821 53 HE1 MET 6 1HE MET 6 -0.990 6.182 10.469 54 HE2 MET 6 2HE MET 6 -1.041 7.258 9.069 55 HE3 MET 6 3HE MET 6 -0.949 7.928 10.698 56 H TRP 7 H TRP 7 -0.212 3.124 5.416 57 HA TRP 7 HA TRP 7 -0.735 1.313 7.656 58 HB2 TRP 7 2HB TRP 7 -2.180 1.630 5.000 59 HB3 TRP 7 1HB TRP 7 -2.594 0.437 6.210 60 HD1 TRP 7 HD TRP 7 -1.820 4.043 7.282 61 HE1 TRP 7 1HE TRP 7 -3.988 5.125 8.149 62 HE3 TRP 7 3HE TRP 7 -5.144 0.386 5.988 63 HZ2 TRP 7 2HZ TRP 7 -6.734 4.527 8.246 64 HZ3 TRP 7 3HZ TRP 7 -7.515 0.727 6.489 65 HH2 TRP 7 HH TRP 7 -8.295 2.757 7.596 66 H THR 8 H THR 8 -1.301 -1.007 6.512 67 HA THR 8 HA THR 8 1.030 -1.686 4.917 68 HB THR 8 HB THR 8 1.229 -3.794 6.349 69 HG1 THR 8 1HG THR 8 -0.440 -2.296 8.098 70 HG21 THR 8 1HG2 THR 8 1.571 -1.169 7.806 71 HG22 THR 8 2HG2 THR 8 2.778 -1.907 6.761 72 HG23 THR 8 3HG2 THR 8 2.317 -2.690 8.274 73 H CYS 9 H CYS 9 0.569 -3.830 3.522 74 HA CYS 9 HA CYS 9 -2.274 -4.340 3.697 75 HB2 CYS 9 2HB CYS 9 -2.422 -4.458 1.229 76 HB3 CYS 9 1HB CYS 9 -2.040 -2.853 1.833 77 H ASP 10 H ASP 10 -2.761 -6.248 2.060 78 HA ASP 10 HA ASP 10 -0.873 -8.422 2.359 79 HB2 ASP 10 2HB ASP 10 -3.622 -8.390 3.657 80 HB3 ASP 10 1HB ASP 10 -2.726 -9.857 3.325 81 H SER 11 H SER 11 -2.570 -10.440 1.575 82 HA SER 11 HA SER 11 -3.299 -9.611 -1.042 83 HB2 SER 11 2HB SER 11 -2.483 -11.953 -0.444 84 HB3 SER 11 1HB SER 11 -4.048 -12.223 0.320 85 HG SER 11 HG SER 11 -5.011 -11.743 -1.740 86 H GLU 12 H GLU 12 -4.908 -10.293 1.990 87 HA GLU 12 HA GLU 12 -7.555 -9.899 1.019 88 HB2 GLU 12 2HB GLU 12 -6.472 -9.736 3.820 89 HB3 GLU 12 1HB GLU 12 -8.174 -9.724 3.405 90 HG2 GLU 12 2HG GLU 12 -7.916 -11.959 2.425 91 HG3 GLU 12 1HG GLU 12 -6.234 -11.971 2.952 92 H ARG 13 H ARG 13 -5.462 -7.884 3.064 93 HA ARG 13 HA ARG 13 -7.225 -5.632 2.828 94 HB2 ARG 13 2HB ARG 13 -4.435 -5.816 3.972 95 HB3 ARG 13 1HB ARG 13 -5.462 -4.395 4.067 96 HG2 ARG 13 2HG ARG 13 -7.109 -5.715 5.351 97 HG3 ARG 13 1HG ARG 13 -5.997 -7.082 5.311 98 HD2 ARG 13 2HD ARG 13 -5.419 -4.378 6.510 99 HD3 ARG 13 1HD ARG 13 -5.846 -5.826 7.417 100 HE ARG 13 HE ARG 13 -3.672 -6.684 6.127 101 HH11 ARG 13 1HH1 ARG 13 -4.166 -3.660 7.887 102 HH12 ARG 13 2HH1 ARG 13 -2.525 -3.483 8.265 103 HH21 ARG 13 1HH2 ARG 13 -1.571 -6.495 6.658 104 HH22 ARG 13 2HH2 ARG 13 -0.957 -5.158 7.572 105 H LYS 14 H LYS 14 -7.358 -4.482 1.053 106 HA LYS 14 HA LYS 14 -5.203 -4.505 -0.878 107 HB2 LYS 14 2HB LYS 14 -7.915 -3.211 -1.025 108 HB3 LYS 14 1HB LYS 14 -6.769 -3.368 -2.346 109 HG2 LYS 14 2HG LYS 14 -8.109 -5.602 -0.894 110 HG3 LYS 14 1HG LYS 14 -8.547 -4.980 -2.502 111 HD2 LYS 14 2HD LYS 14 -6.326 -5.656 -3.315 112 HD3 LYS 14 1HD LYS 14 -5.949 -6.292 -1.709 113 HE2 LYS 14 2HE LYS 14 -7.819 -7.864 -1.896 114 HE3 LYS 14 1HE LYS 14 -8.172 -7.240 -3.504 115 HZ1 LYS 14 1HZ LYS 14 -6.904 -9.281 -3.597 116 HZ2 LYS 14 2HZ LYS 14 -5.685 -8.603 -2.672 117 HZ3 LYS 14 3HZ LYS 14 -5.984 -8.017 -4.232 118 H CYS 15 H CYS 15 -4.193 -2.822 -1.556 119 HA CYS 15 HA CYS 15 -4.017 -0.595 0.336 120 HB2 CYS 15 2HB CYS 15 -1.986 -1.981 -0.240 121 HB3 CYS 15 1HB CYS 15 -2.081 -1.349 -1.871 122 H CYS 16 H CYS 16 -3.683 1.641 -0.593 123 HA CYS 16 HA CYS 16 -5.789 2.153 -2.437 124 HB2 CYS 16 2HB CYS 16 -3.709 4.027 -1.297 125 HB3 CYS 16 1HB CYS 16 -5.122 4.528 -2.214 126 H LYS 17 H LYS 17 -5.688 3.234 -4.456 127 HA LYS 17 HA LYS 17 -3.693 2.248 -6.193 128 HB2 LYS 17 2HB LYS 17 -6.041 2.811 -6.896 129 HB3 LYS 17 1HB LYS 17 -5.645 4.513 -6.702 130 HG2 LYS 17 2HG LYS 17 -3.943 4.321 -8.454 131 HG3 LYS 17 1HG LYS 17 -4.320 2.612 -8.638 132 HD2 LYS 17 2HD LYS 17 -5.438 3.793 -10.392 133 HD3 LYS 17 1HD LYS 17 -6.660 3.277 -9.234 134 HE2 LYS 17 2HE LYS 17 -7.104 5.551 -9.955 135 HE3 LYS 17 1HE LYS 17 -6.653 5.550 -8.256 136 HZ1 LYS 17 1HZ LYS 17 -4.430 6.278 -8.872 137 HZ2 LYS 17 2HZ LYS 17 -5.564 7.332 -9.513 138 HZ3 LYS 17 3HZ LYS 17 -4.822 6.190 -10.507 139 H GLY 18 H GLY 18 -1.919 3.221 -7.023 140 HA2 GLY 18 2HA GLY 18 -0.416 4.995 -7.364 141 HA3 GLY 18 1HA GLY 18 -1.276 5.928 -6.139 142 H MET 19 H MET 19 -1.028 2.865 -5.039 143 HA MET 19 HA MET 19 1.576 3.322 -3.788 144 HB2 MET 19 2HB MET 19 -0.957 2.193 -2.599 145 HB3 MET 19 1HB MET 19 0.618 2.083 -1.822 146 HG2 MET 19 2HG MET 19 0.784 4.315 -1.529 147 HG3 MET 19 1HG MET 19 -0.531 4.721 -2.654 148 HE1 MET 19 1HE MET 19 -1.989 6.216 -1.197 149 HE2 MET 19 2HE MET 19 -0.566 6.270 -0.163 150 HE3 MET 19 3HE MET 19 -2.164 6.005 0.546 151 H VAL 20 H VAL 20 2.575 1.364 -3.108 152 HA VAL 20 HA VAL 20 2.075 -0.849 -4.969 153 HB VAL 20 HB VAL 20 4.600 -0.117 -3.444 154 HG11 VAL 20 1HG1 VAL 20 5.708 -1.802 -4.831 155 HG12 VAL 20 2HG1 VAL 20 4.141 -2.238 -5.521 156 HG13 VAL 20 3HG1 VAL 20 4.451 -2.495 -3.806 157 HG21 VAL 20 1HG2 VAL 20 3.997 0.183 -6.380 158 HG22 VAL 20 2HG2 VAL 20 5.554 0.497 -5.612 159 HG23 VAL 20 3HG2 VAL 20 4.156 1.495 -5.211 160 H CYS 21 H CYS 21 1.383 -2.688 -4.046 161 HA CYS 21 HA CYS 21 0.984 -2.651 -1.202 162 HB2 CYS 21 2HB CYS 21 -0.769 -3.463 -2.837 163 HB3 CYS 21 1HB CYS 21 0.257 -4.867 -3.129 164 H ARG 22 H ARG 22 2.069 -3.779 0.266 165 HA ARG 22 HA ARG 22 3.863 -5.914 -0.379 166 HB2 ARG 22 2HB ARG 22 4.985 -3.562 -0.865 167 HB3 ARG 22 1HB ARG 22 4.993 -3.396 0.879 168 HG2 ARG 22 2HG ARG 22 7.139 -4.132 0.208 169 HG3 ARG 22 1HG ARG 22 6.358 -5.509 0.975 170 HD2 ARG 22 2HD ARG 22 7.431 -6.300 -1.009 171 HD3 ARG 22 1HD ARG 22 5.695 -6.301 -1.305 172 HE ARG 22 HE ARG 22 7.149 -3.955 -2.143 173 HH11 ARG 22 1HH1 ARG 22 5.712 -7.051 -3.118 174 HH12 ARG 22 2HH1 ARG 22 5.767 -6.738 -4.783 175 HH21 ARG 22 1HH2 ARG 22 7.238 -3.504 -4.476 176 HH22 ARG 22 2HH2 ARG 22 6.628 -4.663 -5.566 177 H LEU 23 H LEU 23 5.150 -6.055 2.046 178 HA LEU 23 HA LEU 23 3.323 -6.691 4.005 179 HB2 LEU 23 2HB LEU 23 6.143 -5.676 4.388 180 HB3 LEU 23 1HB LEU 23 5.179 -6.424 5.643 181 HG LEU 23 HG LEU 23 6.161 -7.767 3.129 182 HD11 LEU 23 1HD1 LEU 23 7.589 -9.033 4.656 183 HD12 LEU 23 2HD1 LEU 23 7.010 -8.055 6.003 184 HD13 LEU 23 3HD1 LEU 23 7.945 -7.307 4.709 185 HD21 LEU 23 1HD2 LEU 23 5.330 -9.834 4.172 186 HD22 LEU 23 2HD2 LEU 23 4.023 -8.702 3.840 187 HD23 LEU 23 3HD2 LEU 23 4.634 -8.884 5.486 188 H TRP 24 H TRP 24 4.618 -3.584 3.168 189 HA TRP 24 HA TRP 24 2.671 -2.412 4.928 190 HB2 TRP 24 2HB TRP 24 4.168 -0.542 5.437 191 HB3 TRP 24 1HB TRP 24 5.017 -2.036 5.817 192 HD1 TRP 24 HD TRP 24 5.128 0.974 3.664 193 HE1 TRP 24 1HE TRP 24 7.307 0.981 2.238 194 HE3 TRP 24 3HE TRP 24 6.726 -3.730 4.659 195 HZ2 TRP 24 2HZ TRP 24 9.391 -0.815 1.630 196 HZ3 TRP 24 3HZ TRP 24 8.803 -4.531 3.623 197 HH2 TRP 24 HH TRP 24 10.104 -3.091 2.139 198 H CYS 25 H CYS 25 2.117 -0.058 3.868 199 HA CYS 25 HA CYS 25 2.091 -0.532 1.028 200 HB2 CYS 25 2HB CYS 25 0.633 1.420 2.767 201 HB3 CYS 25 1HB CYS 25 0.736 1.679 1.029 202 H LYS 26 H LYS 26 3.214 0.409 -0.413 203 HA LYS 26 HA LYS 26 5.203 2.380 0.448 204 HB2 LYS 26 2HB LYS 26 6.180 0.261 -0.243 205 HB3 LYS 26 1HB LYS 26 5.255 0.264 -1.726 206 HG2 LYS 26 2HG LYS 26 6.523 2.319 -2.407 207 HG3 LYS 26 1HG LYS 26 7.516 2.104 -0.965 208 HD2 LYS 26 2HD LYS 26 8.190 -0.107 -1.759 209 HD3 LYS 26 1HD LYS 26 7.193 0.100 -3.198 210 HE2 LYS 26 2HE LYS 26 8.553 2.041 -3.856 211 HE3 LYS 26 1HE LYS 26 9.551 1.820 -2.420 212 HZ1 LYS 26 1HZ LYS 26 10.594 0.842 -4.372 213 HZ2 LYS 26 2HZ LYS 26 9.246 -0.132 -4.628 214 HZ3 LYS 26 3HZ LYS 26 10.197 -0.357 -3.257 215 H LYS 27 H LYS 27 5.540 4.102 -1.074 216 HA LYS 27 HA LYS 27 3.119 4.798 -2.495 217 HB2 LYS 27 2HB LYS 27 5.724 6.283 -2.174 218 HB3 LYS 27 1HB LYS 27 4.255 6.945 -2.867 219 HG2 LYS 27 2HG LYS 27 3.095 6.810 -0.786 220 HG3 LYS 27 1HG LYS 27 4.414 5.901 -0.054 221 HD2 LYS 27 2HD LYS 27 5.878 7.842 -0.281 222 HD3 LYS 27 1HD LYS 27 4.561 8.752 -1.026 223 HE2 LYS 27 2HE LYS 27 3.260 8.609 0.996 224 HE3 LYS 27 1HE LYS 27 4.452 7.552 1.734 225 HZ1 LYS 27 1HZ LYS 27 6.035 9.357 1.725 226 HZ2 LYS 27 2HZ LYS 27 4.630 9.857 2.511 227 HZ3 LYS 27 3HZ LYS 27 4.945 10.388 0.956 228 H LYS 28 H LYS 28 2.979 5.089 -4.703 229 HA LYS 28 HA LYS 28 4.929 3.640 -6.327 230 HB2 LYS 28 2HB LYS 28 2.377 3.492 -6.594 231 HB3 LYS 28 1HB LYS 28 2.434 5.129 -7.195 232 HG2 LYS 28 2HG LYS 28 2.256 3.715 -9.078 233 HG3 LYS 28 1HG LYS 28 3.928 4.273 -9.048 234 HD2 LYS 28 2HD LYS 28 4.711 2.190 -8.239 235 HD3 LYS 28 1HD LYS 28 3.083 1.662 -7.813 236 HE2 LYS 28 2HE LYS 28 3.798 0.511 -9.811 237 HE3 LYS 28 1HE LYS 28 2.499 1.625 -10.207 238 HZ1 LYS 28 1HZ LYS 28 4.160 1.771 -11.875 239 HZ2 LYS 28 2HZ LYS 28 5.388 1.957 -10.758 240 HZ3 LYS 28 3HZ LYS 28 4.303 3.205 -10.998 241 H LEU 29 H LEU 29 6.686 4.876 -6.727 242 HA LEU 29 HA LEU 29 6.492 7.746 -6.836 243 HB2 LEU 29 2HB LEU 29 8.868 5.971 -7.440 244 HB3 LEU 29 1HB LEU 29 8.920 7.712 -7.395 245 HG LEU 29 HG LEU 29 8.237 7.498 -4.929 246 HD11 LEU 29 1HD1 LEU 29 8.860 5.419 -3.825 247 HD12 LEU 29 2HD1 LEU 29 9.127 4.664 -5.395 248 HD13 LEU 29 3HD1 LEU 29 7.509 5.194 -4.935 249 HD21 LEU 29 1HD2 LEU 29 10.457 8.171 -5.640 250 HD22 LEU 29 2HD2 LEU 29 10.922 6.483 -5.841 251 HD23 LEU 29 3HD2 LEU 29 10.553 7.110 -4.234 252 H TRP 30 H TRP 30 7.210 5.163 -9.089 253 HA TRP 30 HA TRP 30 6.346 6.897 -11.279 254 HB2 TRP 30 2HB TRP 30 8.745 5.030 -11.356 255 HB3 TRP 30 1HB TRP 30 8.091 5.901 -12.736 256 HD1 TRP 30 HD TRP 30 8.417 8.619 -12.690 257 HE1 TRP 30 1HE TRP 30 10.256 10.052 -11.631 258 HE3 TRP 30 3HE TRP 30 10.339 5.172 -9.454 259 HZ2 TRP 30 2HZ TRP 30 12.282 9.751 -9.664 260 HZ3 TRP 30 3HZ TRP 30 12.227 5.825 -8.028 261 HH2 TRP 30 HH TRP 30 13.176 8.067 -8.136 Start of MODEL 4 1 H1 TYR 1 1HT TYR 1 -11.113 0.545 5.368 2 H2 TYR 1 2HT TYR 1 -10.347 1.812 4.585 3 H3 TYR 1 3HT TYR 1 -9.509 0.406 4.908 4 HA TYR 1 HA TYR 1 -10.828 -0.845 3.404 5 HB2 TYR 1 2HB TYR 1 -12.904 0.567 3.693 6 HB3 TYR 1 1HB TYR 1 -12.133 1.805 2.712 7 HD1 TYR 1 1HD TYR 1 -13.034 -1.817 2.577 8 HD2 TYR 1 2HD TYR 1 -12.583 1.833 0.429 9 HE1 TYR 1 1HE TYR 1 -13.952 -2.886 0.587 10 HE2 TYR 1 2HE TYR 1 -13.494 0.777 -1.566 11 HH TYR 1 HH TYR 1 -15.082 -2.240 -1.460 12 H CYS 2 H CYS 2 -10.191 2.576 2.512 13 HA CYS 2 HA CYS 2 -8.305 1.620 0.559 14 HB2 CYS 2 2HB CYS 2 -9.761 3.725 0.247 15 HB3 CYS 2 1HB CYS 2 -8.716 4.442 1.490 16 H GLN 3 H GLN 3 -6.156 1.950 0.845 17 HA GLN 3 HA GLN 3 -5.524 1.967 3.682 18 HB2 GLN 3 2HB GLN 3 -3.928 0.717 1.461 19 HB3 GLN 3 1HB GLN 3 -3.485 0.688 3.159 20 HG2 GLN 3 2HG GLN 3 -5.919 -0.599 1.926 21 HG3 GLN 3 1HG GLN 3 -4.484 -1.426 2.522 22 HE21 GLN 3 1HE2 GLN 3 -4.175 -1.597 4.761 23 HE22 GLN 3 2HE2 GLN 3 -5.476 -1.305 5.875 24 H LYS 4 H LYS 4 -3.931 3.102 4.536 25 HA LYS 4 HA LYS 4 -3.030 5.426 3.027 26 HB2 LYS 4 2HB LYS 4 -2.763 4.778 5.972 27 HB3 LYS 4 1HB LYS 4 -2.404 6.319 5.210 28 HG2 LYS 4 2HG LYS 4 -4.763 6.584 4.644 29 HG3 LYS 4 1HG LYS 4 -5.117 5.035 5.406 30 HD2 LYS 4 2HD LYS 4 -4.284 5.913 7.552 31 HD3 LYS 4 1HD LYS 4 -3.980 7.472 6.780 32 HE2 LYS 4 2HE LYS 4 -6.361 7.678 6.260 33 HE3 LYS 4 1HE LYS 4 -6.655 6.108 7.003 34 HZ1 LYS 4 1HZ LYS 4 -5.864 7.056 9.115 35 HZ2 LYS 4 2HZ LYS 4 -7.236 7.805 8.534 36 HZ3 LYS 4 3HZ LYS 4 -5.742 8.580 8.390 37 H TRP 5 H TRP 5 -0.742 6.097 3.551 38 HA TRP 5 HA TRP 5 1.175 4.177 2.745 39 HB2 TRP 5 2HB TRP 5 2.831 5.909 3.188 40 HB3 TRP 5 1HB TRP 5 1.406 6.678 2.493 41 HD1 TRP 5 HD TRP 5 -0.239 7.960 4.347 42 HE1 TRP 5 1HE TRP 5 0.373 9.214 6.504 43 HE3 TRP 5 3HE TRP 5 4.449 6.076 5.074 44 HZ2 TRP 5 2HZ TRP 5 2.554 9.385 8.281 45 HZ3 TRP 5 3HZ TRP 5 5.729 6.828 7.026 46 HH2 TRP 5 HH TRP 5 4.798 8.452 8.598 47 H MET 6 H MET 6 -0.119 5.060 5.746 48 HA MET 6 HA MET 6 2.018 4.265 7.388 49 HB2 MET 6 2HB MET 6 0.557 6.045 8.049 50 HB3 MET 6 1HB MET 6 -0.836 4.980 8.010 51 HG2 MET 6 2HG MET 6 0.007 3.735 9.886 52 HG3 MET 6 1HG MET 6 1.491 4.682 9.875 53 HE1 MET 6 1HE MET 6 1.598 7.266 10.517 54 HE2 MET 6 2HE MET 6 0.194 8.230 10.956 55 HE3 MET 6 3HE MET 6 0.375 7.644 9.305 56 H TRP 7 H TRP 7 -0.681 2.749 5.950 57 HA TRP 7 HA TRP 7 -0.606 0.549 7.851 58 HB2 TRP 7 2HB TRP 7 -2.618 1.100 5.655 59 HB3 TRP 7 1HB TRP 7 -2.664 -0.292 6.727 60 HD1 TRP 7 HD TRP 7 -1.876 1.607 9.379 61 HE1 TRP 7 1HE TRP 7 -3.785 2.994 10.410 62 HE3 TRP 7 3HE TRP 7 -5.116 1.539 5.469 63 HZ2 TRP 7 2HZ TRP 7 -6.347 3.925 9.656 64 HZ3 TRP 7 3HZ TRP 7 -7.279 2.694 5.684 65 HH2 TRP 7 HH TRP 7 -7.880 3.856 7.745 66 H THR 8 H THR 8 -1.067 -1.636 6.651 67 HA THR 8 HA THR 8 1.022 -1.856 4.619 68 HB THR 8 HB THR 8 1.571 -4.030 5.695 69 HG1 THR 8 1HG THR 8 0.180 -3.509 8.014 70 HG21 THR 8 1HG2 THR 8 2.587 -3.155 7.752 71 HG22 THR 8 2HG2 THR 8 1.492 -1.778 7.722 72 HG23 THR 8 3HG2 THR 8 2.728 -1.920 6.494 73 H CYS 9 H CYS 9 0.656 -4.187 3.338 74 HA CYS 9 HA CYS 9 -2.236 -4.573 3.365 75 HB2 CYS 9 2HB CYS 9 -2.306 -4.964 1.051 76 HB3 CYS 9 1HB CYS 9 -1.301 -3.536 1.233 77 H ASP 10 H ASP 10 -2.810 -6.739 2.398 78 HA ASP 10 HA ASP 10 -0.973 -8.886 3.188 79 HB2 ASP 10 2HB ASP 10 -3.932 -8.889 3.869 80 HB3 ASP 10 1HB ASP 10 -2.735 -10.067 4.358 81 H SER 11 H SER 11 -3.127 -10.828 2.594 82 HA SER 11 HA SER 11 -3.176 -10.510 -0.249 83 HB2 SER 11 2HB SER 11 -4.536 -12.580 1.484 84 HB3 SER 11 1HB SER 11 -4.385 -12.649 -0.271 85 HG SER 11 HG SER 11 -2.045 -12.250 1.152 86 H GLU 12 H GLU 12 -5.496 -10.132 2.394 87 HA GLU 12 HA GLU 12 -7.570 -9.543 0.475 88 HB2 GLU 12 2HB GLU 12 -7.661 -9.743 3.474 89 HB3 GLU 12 1HB GLU 12 -9.015 -9.125 2.545 90 HG2 GLU 12 2HG GLU 12 -9.396 -11.421 3.072 91 HG3 GLU 12 1HG GLU 12 -9.114 -11.279 1.342 92 H ARG 13 H ARG 13 -6.142 -7.698 3.210 93 HA ARG 13 HA ARG 13 -7.224 -5.232 2.207 94 HB2 ARG 13 2HB ARG 13 -4.834 -5.670 4.022 95 HB3 ARG 13 1HB ARG 13 -5.517 -4.107 3.645 96 HG2 ARG 13 2HG ARG 13 -7.582 -4.758 4.805 97 HG3 ARG 13 1HG ARG 13 -6.851 -6.318 5.201 98 HD2 ARG 13 2HD ARG 13 -5.870 -3.592 6.050 99 HD3 ARG 13 1HD ARG 13 -6.588 -4.827 7.090 100 HE ARG 13 HE ARG 13 -4.544 -6.195 6.192 101 HH11 ARG 13 1HH1 ARG 13 -4.490 -2.849 7.365 102 HH12 ARG 13 2HH1 ARG 13 -2.812 -2.887 7.686 103 HH21 ARG 13 1HH2 ARG 13 -2.335 -6.213 6.638 104 HH22 ARG 13 2HH2 ARG 13 -1.528 -4.826 7.222 105 H LYS 14 H LYS 14 -6.626 -4.512 0.257 106 HA LYS 14 HA LYS 14 -3.813 -4.793 -0.451 107 HB2 LYS 14 2HB LYS 14 -4.507 -4.351 -2.801 108 HB3 LYS 14 1HB LYS 14 -5.166 -5.828 -2.122 109 HG2 LYS 14 2HG LYS 14 -7.294 -4.668 -1.739 110 HG3 LYS 14 1HG LYS 14 -6.616 -3.222 -2.491 111 HD2 LYS 14 2HD LYS 14 -6.315 -4.377 -4.573 112 HD3 LYS 14 1HD LYS 14 -6.798 -5.907 -3.842 113 HE2 LYS 14 2HE LYS 14 -8.654 -5.068 -5.071 114 HE3 LYS 14 1HE LYS 14 -8.963 -4.924 -3.340 115 HZ1 LYS 14 1HZ LYS 14 -9.666 -2.930 -4.519 116 HZ2 LYS 14 2HZ LYS 14 -8.122 -2.692 -5.113 117 HZ3 LYS 14 3HZ LYS 14 -8.417 -2.564 -3.458 118 H CYS 15 H CYS 15 -2.668 -2.990 -1.224 119 HA CYS 15 HA CYS 15 -3.505 -0.536 -0.022 120 HB2 CYS 15 2HB CYS 15 -1.165 -1.052 -1.880 121 HB3 CYS 15 1HB CYS 15 -1.392 0.374 -0.873 122 H CYS 16 H CYS 16 -4.020 1.419 -1.127 123 HA CYS 16 HA CYS 16 -5.578 0.948 -3.438 124 HB2 CYS 16 2HB CYS 16 -4.899 3.490 -1.968 125 HB3 CYS 16 1HB CYS 16 -6.048 3.405 -3.306 126 H LYS 17 H LYS 17 -5.436 2.275 -5.389 127 HA LYS 17 HA LYS 17 -2.976 1.943 -6.659 128 HB2 LYS 17 2HB LYS 17 -5.170 1.959 -7.797 129 HB3 LYS 17 1HB LYS 17 -5.313 3.676 -7.466 130 HG2 LYS 17 2HG LYS 17 -3.451 4.160 -8.906 131 HG3 LYS 17 1HG LYS 17 -3.149 2.437 -9.145 132 HD2 LYS 17 2HD LYS 17 -5.346 2.186 -10.162 133 HD3 LYS 17 1HD LYS 17 -5.662 3.897 -9.911 134 HE2 LYS 17 2HE LYS 17 -3.387 2.826 -11.555 135 HE3 LYS 17 1HE LYS 17 -4.949 3.281 -12.230 136 HZ1 LYS 17 1HZ LYS 17 -3.369 5.090 -12.450 137 HZ2 LYS 17 2HZ LYS 17 -3.079 5.116 -10.794 138 HZ3 LYS 17 3HZ LYS 17 -4.588 5.528 -11.387 139 H GLY 18 H GLY 18 -1.308 3.278 -6.984 140 HA2 GLY 18 2HA GLY 18 -0.290 5.484 -6.934 141 HA3 GLY 18 1HA GLY 18 -1.395 5.889 -5.610 142 H MET 19 H MET 19 -0.979 2.961 -4.890 143 HA MET 19 HA MET 19 1.671 3.051 -3.652 144 HB2 MET 19 2HB MET 19 -0.904 2.053 -2.413 145 HB3 MET 19 1HB MET 19 0.692 1.920 -1.701 146 HG2 MET 19 2HG MET 19 0.822 4.270 -1.446 147 HG3 MET 19 1HG MET 19 -0.727 4.499 -2.278 148 HE1 MET 19 1HE MET 19 -1.722 5.441 1.309 149 HE2 MET 19 2HE MET 19 -1.769 5.875 -0.401 150 HE3 MET 19 3HE MET 19 -0.230 5.831 0.459 151 H VAL 20 H VAL 20 2.460 0.920 -3.362 152 HA VAL 20 HA VAL 20 1.011 -1.047 -4.941 153 HB VAL 20 HB VAL 20 3.157 -2.296 -5.145 154 HG11 VAL 20 1HG1 VAL 20 4.205 -0.800 -6.765 155 HG12 VAL 20 2HG1 VAL 20 3.270 0.550 -6.123 156 HG13 VAL 20 3HG1 VAL 20 2.448 -0.794 -6.917 157 HG21 VAL 20 1HG2 VAL 20 4.384 0.155 -3.863 158 HG22 VAL 20 2HG2 VAL 20 5.279 -1.180 -4.588 159 HG23 VAL 20 3HG2 VAL 20 4.299 -1.455 -3.146 160 H CYS 21 H CYS 21 0.555 -2.987 -4.102 161 HA CYS 21 HA CYS 21 0.256 -3.170 -1.287 162 HB2 CYS 21 2HB CYS 21 -1.266 -4.246 -2.988 163 HB3 CYS 21 1HB CYS 21 0.033 -5.356 -3.384 164 H ARG 22 H ARG 22 1.926 -3.482 -0.009 165 HA ARG 22 HA ARG 22 3.970 -5.399 -0.749 166 HB2 ARG 22 2HB ARG 22 4.277 -2.779 -1.362 167 HB3 ARG 22 1HB ARG 22 4.871 -2.775 0.285 168 HG2 ARG 22 2HG ARG 22 6.721 -3.018 -1.191 169 HG3 ARG 22 1HG ARG 22 6.467 -4.556 -0.360 170 HD2 ARG 22 2HD ARG 22 5.363 -5.471 -2.322 171 HD3 ARG 22 1HD ARG 22 5.471 -3.912 -3.141 172 HE ARG 22 HE ARG 22 8.024 -4.700 -2.363 173 HH11 ARG 22 1HH1 ARG 22 5.563 -5.671 -4.726 174 HH12 ARG 22 2HH1 ARG 22 6.698 -6.319 -5.817 175 HH21 ARG 22 1HH2 ARG 22 9.544 -5.531 -3.895 176 HH22 ARG 22 2HH2 ARG 22 9.009 -6.235 -5.345 177 H LEU 23 H LEU 23 5.682 -4.977 1.335 178 HA LEU 23 HA LEU 23 4.680 -6.180 3.601 179 HB2 LEU 23 2HB LEU 23 6.873 -4.100 3.521 180 HB3 LEU 23 1HB LEU 23 6.636 -5.289 4.778 181 HG LEU 23 HG LEU 23 7.403 -5.896 1.926 182 HD11 LEU 23 1HD1 LEU 23 9.185 -4.774 3.132 183 HD12 LEU 23 2HD1 LEU 23 9.585 -6.471 2.869 184 HD13 LEU 23 3HD1 LEU 23 9.039 -5.928 4.456 185 HD21 LEU 23 1HD2 LEU 23 7.183 -7.701 4.339 186 HD22 LEU 23 2HD2 LEU 23 7.825 -8.168 2.767 187 HD23 LEU 23 3HD2 LEU 23 6.128 -7.721 2.925 188 H TRP 24 H TRP 24 5.106 -2.774 2.953 189 HA TRP 24 HA TRP 24 2.829 -2.246 4.609 190 HB2 TRP 24 2HB TRP 24 3.823 -0.144 5.433 191 HB3 TRP 24 1HB TRP 24 4.905 -1.468 5.835 192 HD1 TRP 24 HD TRP 24 4.572 1.547 3.636 193 HE1 TRP 24 1HE TRP 24 6.913 2.223 2.704 194 HE3 TRP 24 3HE TRP 24 7.238 -2.434 5.290 195 HZ2 TRP 24 2HZ TRP 24 9.527 1.163 2.707 196 HZ3 TRP 24 3HZ TRP 24 9.647 -2.552 4.802 197 HH2 TRP 24 HH TRP 24 10.764 -0.788 3.537 198 H CYS 25 H CYS 25 1.732 -0.145 3.700 199 HA CYS 25 HA CYS 25 1.683 -0.439 0.892 200 HB2 CYS 25 2HB CYS 25 0.374 1.565 2.725 201 HB3 CYS 25 1HB CYS 25 0.134 1.564 0.978 202 H LYS 26 H LYS 26 3.014 0.271 -0.472 203 HA LYS 26 HA LYS 26 4.799 2.430 0.354 204 HB2 LYS 26 2HB LYS 26 5.839 0.237 0.055 205 HB3 LYS 26 1HB LYS 26 5.233 0.167 -1.589 206 HG2 LYS 26 2HG LYS 26 6.626 1.957 -2.260 207 HG3 LYS 26 1HG LYS 26 7.098 2.286 -0.597 208 HD2 LYS 26 2HD LYS 26 8.098 -0.017 -0.523 209 HD3 LYS 26 1HD LYS 26 7.738 -0.161 -2.243 210 HE2 LYS 26 2HE LYS 26 9.524 1.909 -0.970 211 HE3 LYS 26 1HE LYS 26 10.064 0.494 -1.865 212 HZ1 LYS 26 1HZ LYS 26 10.122 2.472 -3.201 213 HZ2 LYS 26 2HZ LYS 26 8.492 2.760 -2.960 214 HZ3 LYS 26 3HZ LYS 26 9.000 1.392 -3.845 215 H LYS 27 H LYS 27 4.683 4.255 -0.732 216 HA LYS 27 HA LYS 27 2.842 4.751 -2.768 217 HB2 LYS 27 2HB LYS 27 5.275 6.284 -1.923 218 HB3 LYS 27 1HB LYS 27 4.210 6.835 -3.201 219 HG2 LYS 27 2HG LYS 27 3.372 6.287 -0.384 220 HG3 LYS 27 1HG LYS 27 3.787 7.887 -1.039 221 HD2 LYS 27 2HD LYS 27 1.947 7.588 -2.695 222 HD3 LYS 27 1HD LYS 27 1.503 6.094 -1.879 223 HE2 LYS 27 2HE LYS 27 0.072 7.870 -1.074 224 HE3 LYS 27 1HE LYS 27 1.169 7.376 0.209 225 HZ1 LYS 27 1HZ LYS 27 1.567 9.724 -1.538 226 HZ2 LYS 27 2HZ LYS 27 2.531 9.297 -0.232 227 HZ3 LYS 27 3HZ LYS 27 0.939 9.794 0.013 228 H LYS 28 H LYS 28 3.004 5.092 -4.818 229 HA LYS 28 HA LYS 28 5.007 3.596 -6.272 230 HB2 LYS 28 2HB LYS 28 2.562 3.698 -6.939 231 HB3 LYS 28 1HB LYS 28 2.808 5.386 -7.350 232 HG2 LYS 28 2HG LYS 28 4.445 4.734 -9.045 233 HG3 LYS 28 1HG LYS 28 4.184 3.038 -8.631 234 HD2 LYS 28 2HD LYS 28 1.801 3.293 -9.239 235 HD3 LYS 28 1HD LYS 28 2.133 4.957 -9.714 236 HE2 LYS 28 2HE LYS 28 2.109 3.563 -11.681 237 HE3 LYS 28 1HE LYS 28 3.744 4.134 -11.383 238 HZ1 LYS 28 1HZ LYS 28 2.745 1.448 -10.589 239 HZ2 LYS 28 2HZ LYS 28 4.336 1.998 -10.477 240 HZ3 LYS 28 3HZ LYS 28 3.620 1.766 -11.983 241 H LEU 29 H LEU 29 6.743 4.512 -7.271 242 HA LEU 29 HA LEU 29 7.619 6.952 -6.312 243 HB2 LEU 29 2HB LEU 29 9.522 6.681 -7.958 244 HB3 LEU 29 1HB LEU 29 9.284 5.400 -6.802 245 HG LEU 29 HG LEU 29 8.072 4.155 -8.682 246 HD11 LEU 29 1HD1 LEU 29 7.754 5.995 -10.204 247 HD12 LEU 29 2HD1 LEU 29 8.733 4.729 -10.945 248 HD13 LEU 29 3HD1 LEU 29 9.498 6.202 -10.347 249 HD21 LEU 29 1HD2 LEU 29 10.171 3.328 -9.600 250 HD22 LEU 29 2HD2 LEU 29 10.242 3.512 -7.847 251 HD23 LEU 29 3HD2 LEU 29 11.019 4.704 -8.892 252 H TRP 30 H TRP 30 5.827 6.323 -9.175 253 HA TRP 30 HA TRP 30 5.276 9.085 -9.438 254 HB2 TRP 30 2HB TRP 30 7.405 8.895 -10.768 255 HB3 TRP 30 1HB TRP 30 6.627 7.676 -11.771 256 HD1 TRP 30 HD TRP 30 5.135 8.528 -13.741 257 HE1 TRP 30 1HE TRP 30 4.541 10.849 -14.673 258 HE3 TRP 30 3HE TRP 30 6.926 11.393 -9.937 259 HZ2 TRP 30 2HZ TRP 30 4.810 13.556 -13.894 260 HZ3 TRP 30 3HZ TRP 30 6.724 13.848 -10.093 261 HH2 TRP 30 HH TRP 30 5.684 14.900 -12.038 Start of MODEL 5 1 H1 TYR 1 1HT TYR 1 -10.813 1.547 4.804 2 H2 TYR 1 2HT TYR 1 -10.912 -0.065 5.305 3 H3 TYR 1 3HT TYR 1 -12.278 0.933 5.390 4 HA TYR 1 HA TYR 1 -12.395 -0.611 3.590 5 HB2 TYR 1 2HB TYR 1 -13.501 1.609 3.439 6 HB3 TYR 1 1HB TYR 1 -12.045 2.280 2.725 7 HD1 TYR 1 1HD TYR 1 -14.683 -0.295 2.161 8 HD2 TYR 1 2HD TYR 1 -11.785 2.279 0.390 9 HE1 TYR 1 1HE TYR 1 -15.543 -0.857 -0.053 10 HE2 TYR 1 2HE TYR 1 -12.638 1.722 -1.827 11 HH TYR 1 HH TYR 1 -15.582 0.110 -2.327 12 H CYS 2 H CYS 2 -9.823 1.812 2.891 13 HA CYS 2 HA CYS 2 -8.406 -0.290 1.435 14 HB2 CYS 2 2HB CYS 2 -9.486 1.358 -0.093 15 HB3 CYS 2 1HB CYS 2 -8.626 2.645 0.749 16 H GLN 3 H GLN 3 -6.070 0.162 1.391 17 HA GLN 3 HA GLN 3 -5.297 1.095 4.023 18 HB2 GLN 3 2HB GLN 3 -3.573 -0.361 2.007 19 HB3 GLN 3 1HB GLN 3 -3.146 0.023 3.657 20 HG2 GLN 3 2HG GLN 3 -5.363 -1.813 2.803 21 HG3 GLN 3 1HG GLN 3 -3.806 -2.289 3.480 22 HE21 GLN 3 1HE2 GLN 3 -3.419 -1.936 5.647 23 HE22 GLN 3 2HE2 GLN 3 -4.707 -1.606 6.764 24 H LYS 4 H LYS 4 -3.934 2.625 4.496 25 HA LYS 4 HA LYS 4 -3.388 4.663 2.476 26 HB2 LYS 4 2HB LYS 4 -2.998 4.767 5.473 27 HB3 LYS 4 1HB LYS 4 -3.080 6.129 4.365 28 HG2 LYS 4 2HG LYS 4 -5.438 5.634 3.925 29 HG3 LYS 4 1HG LYS 4 -5.355 4.260 5.030 30 HD2 LYS 4 2HD LYS 4 -4.715 5.881 6.829 31 HD3 LYS 4 1HD LYS 4 -5.048 7.182 5.686 32 HE2 LYS 4 2HE LYS 4 -7.012 5.106 6.653 33 HE3 LYS 4 1HE LYS 4 -6.955 6.797 7.134 34 HZ1 LYS 4 1HZ LYS 4 -7.505 7.424 4.863 35 HZ2 LYS 4 2HZ LYS 4 -8.659 6.389 5.484 36 HZ3 LYS 4 3HZ LYS 4 -7.545 5.807 4.388 37 H TRP 5 H TRP 5 -1.154 5.749 2.748 38 HA TRP 5 HA TRP 5 0.931 3.869 2.384 39 HB2 TRP 5 2HB TRP 5 2.445 5.717 2.177 40 HB3 TRP 5 1HB TRP 5 0.912 6.263 1.511 41 HD1 TRP 5 HD TRP 5 -0.526 7.972 3.150 42 HE1 TRP 5 1HE TRP 5 0.300 9.733 4.810 43 HE3 TRP 5 3HE TRP 5 4.228 6.275 3.817 44 HZ2 TRP 5 2HZ TRP 5 2.647 10.322 6.237 45 HZ3 TRP 5 3HZ TRP 5 5.700 7.496 5.360 46 HH2 TRP 5 HH TRP 5 4.924 9.470 6.540 47 H MET 6 H MET 6 -0.318 5.360 5.120 48 HA MET 6 HA MET 6 1.918 5.025 6.808 49 HB2 MET 6 2HB MET 6 0.345 6.805 7.212 50 HB3 MET 6 1HB MET 6 -0.967 5.654 7.392 51 HG2 MET 6 2HG MET 6 -0.053 4.835 9.434 52 HG3 MET 6 1HG MET 6 1.403 5.801 9.213 53 HE1 MET 6 1HE MET 6 -2.780 7.625 10.025 54 HE2 MET 6 2HE MET 6 -2.484 5.894 9.840 55 HE3 MET 6 3HE MET 6 -2.304 6.975 8.459 56 H TRP 7 H TRP 7 -0.556 3.051 5.674 57 HA TRP 7 HA TRP 7 -0.362 1.143 7.891 58 HB2 TRP 7 2HB TRP 7 -2.442 1.383 5.698 59 HB3 TRP 7 1HB TRP 7 -2.434 0.120 6.912 60 HD1 TRP 7 HD TRP 7 -1.569 2.902 8.991 61 HE1 TRP 7 1HE TRP 7 -3.659 4.097 9.991 62 HE3 TRP 7 3HE TRP 7 -5.183 0.986 5.940 63 HZ2 TRP 7 2HZ TRP 7 -6.406 4.191 9.540 64 HZ3 TRP 7 3HZ TRP 7 -7.513 1.686 6.289 65 HH2 TRP 7 HH TRP 7 -8.106 3.248 8.062 66 H THR 8 H THR 8 -0.619 -1.212 7.023 67 HA THR 8 HA THR 8 1.259 -1.523 4.814 68 HB THR 8 HB THR 8 1.787 -3.728 5.911 69 HG1 THR 8 1HG THR 8 1.003 -3.855 8.162 70 HG21 THR 8 1HG2 THR 8 2.995 -2.825 7.843 71 HG22 THR 8 2HG2 THR 8 2.009 -1.366 7.787 72 HG23 THR 8 3HG2 THR 8 3.127 -1.716 6.475 73 H CYS 9 H CYS 9 0.702 -3.877 3.505 74 HA CYS 9 HA CYS 9 -2.164 -4.231 3.796 75 HB2 CYS 9 2HB CYS 9 -2.440 -4.329 1.342 76 HB3 CYS 9 1HB CYS 9 -1.964 -2.741 1.928 77 H ASP 10 H ASP 10 -2.804 -6.134 2.138 78 HA ASP 10 HA ASP 10 -0.959 -8.361 2.430 79 HB2 ASP 10 2HB ASP 10 -3.647 -8.166 3.790 80 HB3 ASP 10 1HB ASP 10 -2.888 -9.710 3.448 81 H SER 11 H SER 11 -2.769 -10.360 1.814 82 HA SER 11 HA SER 11 -3.336 -9.881 -0.889 83 HB2 SER 11 2HB SER 11 -4.475 -12.139 -0.668 84 HB3 SER 11 1HB SER 11 -2.778 -12.105 -0.193 85 HG SER 11 HG SER 11 -4.403 -13.158 1.190 86 H GLU 12 H GLU 12 -5.303 -10.051 2.039 87 HA GLU 12 HA GLU 12 -7.647 -9.375 0.497 88 HB2 GLU 12 2HB GLU 12 -7.392 -9.884 3.449 89 HB3 GLU 12 1HB GLU 12 -8.897 -9.610 2.588 90 HG2 GLU 12 2HG GLU 12 -8.409 -11.617 1.212 91 HG3 GLU 12 1HG GLU 12 -7.011 -11.920 2.244 92 H ARG 13 H ARG 13 -5.609 -7.842 2.971 93 HA ARG 13 HA ARG 13 -7.243 -5.493 2.935 94 HB2 ARG 13 2HB ARG 13 -4.389 -5.812 3.911 95 HB3 ARG 13 1HB ARG 13 -5.341 -4.350 4.100 96 HG2 ARG 13 2HG ARG 13 -6.990 -5.707 5.422 97 HG3 ARG 13 1HG ARG 13 -5.830 -7.034 5.369 98 HD2 ARG 13 2HD ARG 13 -5.351 -4.293 6.539 99 HD3 ARG 13 1HD ARG 13 -5.617 -5.777 7.452 100 HE ARG 13 HE ARG 13 -3.465 -6.451 6.020 101 HH11 ARG 13 1HH1 ARG 13 -4.044 -3.512 7.911 102 HH12 ARG 13 2HH1 ARG 13 -2.388 -3.257 8.209 103 HH21 ARG 13 1HH2 ARG 13 -1.323 -6.095 6.415 104 HH22 ARG 13 2HH2 ARG 13 -0.780 -4.711 7.303 105 H LYS 14 H LYS 14 -7.423 -4.206 1.322 106 HA LYS 14 HA LYS 14 -5.620 -4.414 -0.923 107 HB2 LYS 14 2HB LYS 14 -8.223 -2.939 -0.562 108 HB3 LYS 14 1HB LYS 14 -7.300 -2.983 -2.053 109 HG2 LYS 14 2HG LYS 14 -7.643 -5.389 -2.217 110 HG3 LYS 14 1HG LYS 14 -8.506 -5.386 -0.679 111 HD2 LYS 14 2HD LYS 14 -10.086 -5.425 -2.551 112 HD3 LYS 14 1HD LYS 14 -10.227 -3.915 -1.657 113 HE2 LYS 14 2HE LYS 14 -8.824 -2.801 -3.359 114 HE3 LYS 14 1HE LYS 14 -8.732 -4.317 -4.253 115 HZ1 LYS 14 1HZ LYS 14 -10.373 -2.822 -5.147 116 HZ2 LYS 14 2HZ LYS 14 -11.214 -2.786 -3.689 117 HZ3 LYS 14 3HZ LYS 14 -11.125 -4.217 -4.583 118 H CYS 15 H CYS 15 -4.107 -2.988 -1.381 119 HA CYS 15 HA CYS 15 -4.041 -0.510 0.162 120 HB2 CYS 15 2HB CYS 15 -1.986 -2.011 -0.041 121 HB3 CYS 15 1HB CYS 15 -1.956 -1.556 -1.739 122 H CYS 16 H CYS 16 -4.077 1.460 -0.821 123 HA CYS 16 HA CYS 16 -5.679 1.531 -3.148 124 HB2 CYS 16 2HB CYS 16 -4.276 3.770 -1.699 125 HB3 CYS 16 1HB CYS 16 -5.477 3.984 -2.956 126 H LYS 17 H LYS 17 -5.222 2.157 -5.219 127 HA LYS 17 HA LYS 17 -2.622 1.715 -6.208 128 HB2 LYS 17 2HB LYS 17 -5.069 2.931 -7.480 129 HB3 LYS 17 1HB LYS 17 -3.569 2.663 -8.357 130 HG2 LYS 17 2HG LYS 17 -3.709 0.290 -7.969 131 HG3 LYS 17 1HG LYS 17 -5.144 0.509 -6.973 132 HD2 LYS 17 2HD LYS 17 -6.416 1.256 -8.860 133 HD3 LYS 17 1HD LYS 17 -4.974 1.290 -9.876 134 HE2 LYS 17 2HE LYS 17 -6.387 -0.684 -10.293 135 HE3 LYS 17 1HE LYS 17 -4.771 -1.109 -9.750 136 HZ1 LYS 17 1HZ LYS 17 -6.550 -2.418 -8.717 137 HZ2 LYS 17 2HZ LYS 17 -7.150 -1.028 -7.964 138 HZ3 LYS 17 3HZ LYS 17 -5.604 -1.604 -7.589 139 H GLY 18 H GLY 18 -1.085 3.121 -6.950 140 HA2 GLY 18 2HA GLY 18 -0.265 5.374 -7.185 141 HA3 GLY 18 1HA GLY 18 -1.337 5.834 -5.851 142 H MET 19 H MET 19 -0.717 3.069 -4.820 143 HA MET 19 HA MET 19 1.969 3.462 -3.774 144 HB2 MET 19 2HB MET 19 -0.541 2.561 -2.359 145 HB3 MET 19 1HB MET 19 1.066 2.251 -1.718 146 HG2 MET 19 2HG MET 19 1.516 4.520 -1.479 147 HG3 MET 19 1HG MET 19 0.048 5.018 -2.346 148 HE1 MET 19 1HE MET 19 -2.662 4.025 0.302 149 HE2 MET 19 2HE MET 19 -2.082 3.011 -1.013 150 HE3 MET 19 3HE MET 19 -2.362 4.733 -1.284 151 H VAL 20 H VAL 20 2.872 1.401 -3.101 152 HA VAL 20 HA VAL 20 2.089 -0.753 -4.933 153 HB VAL 20 HB VAL 20 4.717 -0.318 -3.460 154 HG11 VAL 20 1HG1 VAL 20 4.302 -2.661 -3.975 155 HG12 VAL 20 2HG1 VAL 20 5.629 -2.028 -4.947 156 HG13 VAL 20 3HG1 VAL 20 4.040 -2.253 -5.672 157 HG21 VAL 20 1HG2 VAL 20 4.401 1.437 -5.114 158 HG22 VAL 20 2HG2 VAL 20 4.056 0.231 -6.353 159 HG23 VAL 20 3HG2 VAL 20 5.666 0.325 -5.637 160 H CYS 21 H CYS 21 1.376 -2.583 -4.039 161 HA CYS 21 HA CYS 21 1.001 -2.580 -1.172 162 HB2 CYS 21 2HB CYS 21 -0.886 -3.124 -2.761 163 HB3 CYS 21 1HB CYS 21 -0.012 -4.588 -3.195 164 H ARG 22 H ARG 22 2.080 -3.843 0.178 165 HA ARG 22 HA ARG 22 3.300 -6.289 -0.499 166 HB2 ARG 22 2HB ARG 22 4.812 -4.246 -1.409 167 HB3 ARG 22 1HB ARG 22 5.298 -4.182 0.277 168 HG2 ARG 22 2HG ARG 22 6.883 -5.466 -0.965 169 HG3 ARG 22 1HG ARG 22 6.006 -6.562 0.102 170 HD2 ARG 22 2HD ARG 22 4.581 -7.240 -1.773 171 HD3 ARG 22 1HD ARG 22 5.441 -6.124 -2.831 172 HE ARG 22 HE ARG 22 7.259 -7.869 -1.625 173 HH11 ARG 22 1HH1 ARG 22 4.730 -7.865 -4.139 174 HH12 ARG 22 2HH1 ARG 22 5.376 -9.208 -4.960 175 HH21 ARG 22 1HH2 ARG 22 8.122 -9.732 -2.831 176 HH22 ARG 22 2HH2 ARG 22 7.297 -10.267 -4.232 177 H LEU 23 H LEU 23 5.253 -6.061 1.595 178 HA LEU 23 HA LEU 23 3.919 -6.639 3.893 179 HB2 LEU 23 2HB LEU 23 6.350 -7.016 3.380 180 HB3 LEU 23 1HB LEU 23 6.653 -5.330 3.676 181 HG LEU 23 HG LEU 23 5.637 -7.226 5.821 182 HD11 LEU 23 1HD1 LEU 23 8.471 -6.420 5.181 183 HD12 LEU 23 2HD1 LEU 23 7.772 -8.028 4.975 184 HD13 LEU 23 3HD1 LEU 23 7.956 -7.347 6.592 185 HD21 LEU 23 1HD2 LEU 23 7.048 -4.553 6.022 186 HD22 LEU 23 2HD2 LEU 23 6.513 -5.550 7.374 187 HD23 LEU 23 3HD2 LEU 23 5.326 -4.817 6.293 188 H TRP 24 H TRP 24 4.905 -3.465 2.684 189 HA TRP 24 HA TRP 24 2.992 -2.323 4.520 190 HB2 TRP 24 2HB TRP 24 4.425 -0.446 5.045 191 HB3 TRP 24 1HB TRP 24 5.369 -1.896 5.344 192 HD1 TRP 24 HD TRP 24 5.234 1.192 3.289 193 HE1 TRP 24 1HE TRP 24 7.420 1.401 1.834 194 HE3 TRP 24 3HE TRP 24 7.175 -3.410 4.110 195 HZ2 TRP 24 2HZ TRP 24 9.613 -0.210 1.172 196 HZ3 TRP 24 3HZ TRP 24 9.306 -4.028 3.040 197 HH2 TRP 24 HH TRP 24 10.492 -2.455 1.607 198 H CYS 25 H CYS 25 2.270 -0.084 3.568 199 HA CYS 25 HA CYS 25 2.141 -0.349 0.700 200 HB2 CYS 25 2HB CYS 25 0.784 1.491 2.664 201 HB3 CYS 25 1HB CYS 25 0.717 1.791 0.932 202 H LYS 26 H LYS 26 3.606 0.426 -0.507 203 HA LYS 26 HA LYS 26 5.358 2.560 0.464 204 HB2 LYS 26 2HB LYS 26 6.525 0.554 -0.182 205 HB3 LYS 26 1HB LYS 26 5.658 0.472 -1.700 206 HG2 LYS 26 2HG LYS 26 6.851 2.408 -2.528 207 HG3 LYS 26 1HG LYS 26 7.651 2.613 -0.967 208 HD2 LYS 26 2HD LYS 26 8.812 0.538 -1.207 209 HD3 LYS 26 1HD LYS 26 7.877 0.120 -2.641 210 HE2 LYS 26 2HE LYS 26 10.153 0.862 -3.179 211 HE3 LYS 26 1HE LYS 26 8.922 1.907 -3.886 212 HZ1 LYS 26 1HZ LYS 26 10.464 2.492 -1.417 213 HZ2 LYS 26 2HZ LYS 26 9.360 3.534 -2.157 214 HZ3 LYS 26 3HZ LYS 26 10.785 3.143 -2.929 215 H LYS 27 H LYS 27 4.976 4.536 -0.293 216 HA LYS 27 HA LYS 27 3.097 4.807 -2.473 217 HB2 LYS 27 2HB LYS 27 3.074 7.214 -1.907 218 HB3 LYS 27 1HB LYS 27 2.617 6.173 -0.572 219 HG2 LYS 27 2HG LYS 27 4.833 6.466 0.416 220 HG3 LYS 27 1HG LYS 27 5.298 7.501 -0.939 221 HD2 LYS 27 2HD LYS 27 3.552 9.082 -0.361 222 HD3 LYS 27 1HD LYS 27 3.007 8.036 0.947 223 HE2 LYS 27 2HE LYS 27 5.147 8.324 2.082 224 HE3 LYS 27 1HE LYS 27 5.720 9.338 0.760 225 HZ1 LYS 27 1HZ LYS 27 4.067 10.967 1.285 226 HZ2 LYS 27 2HZ LYS 27 4.908 10.622 2.697 227 HZ3 LYS 27 3HZ LYS 27 3.362 9.983 2.449 228 H LYS 28 H LYS 28 3.306 5.943 -4.289 229 HA LYS 28 HA LYS 28 5.869 5.855 -5.527 230 HB2 LYS 28 2HB LYS 28 3.207 6.958 -6.422 231 HB3 LYS 28 1HB LYS 28 4.644 6.997 -7.424 232 HG2 LYS 28 2HG LYS 28 3.345 4.493 -6.359 233 HG3 LYS 28 1HG LYS 28 3.123 5.143 -7.985 234 HD2 LYS 28 2HD LYS 28 5.563 4.938 -8.354 235 HD3 LYS 28 1HD LYS 28 5.716 4.189 -6.766 236 HE2 LYS 28 2HE LYS 28 4.266 2.371 -7.471 237 HE3 LYS 28 1HE LYS 28 4.062 3.132 -9.047 238 HZ1 LYS 28 1HZ LYS 28 6.622 2.126 -7.926 239 HZ2 LYS 28 2HZ LYS 28 6.443 2.906 -9.400 240 HZ3 LYS 28 3HZ LYS 28 5.722 1.408 -9.160 241 H LEU 29 H LEU 29 7.069 7.567 -6.262 242 HA LEU 29 HA LEU 29 6.703 10.022 -4.704 243 HB2 LEU 29 2HB LEU 29 9.156 8.922 -6.072 244 HB3 LEU 29 1HB LEU 29 9.100 10.417 -5.165 245 HG LEU 29 HG LEU 29 8.701 7.646 -4.038 246 HD11 LEU 29 1HD1 LEU 29 10.818 8.065 -2.899 247 HD12 LEU 29 2HD1 LEU 29 10.958 9.607 -3.752 248 HD13 LEU 29 3HD1 LEU 29 10.984 8.092 -4.656 249 HD21 LEU 29 1HD2 LEU 29 8.730 8.764 -1.844 250 HD22 LEU 29 2HD2 LEU 29 7.350 9.262 -2.816 251 HD23 LEU 29 3HD2 LEU 29 8.744 10.332 -2.652 252 H TRP 30 H TRP 30 6.041 8.809 -7.576 253 HA TRP 30 HA TRP 30 5.288 9.605 -9.524 254 HB2 TRP 30 2HB TRP 30 5.585 12.332 -8.232 255 HB3 TRP 30 1HB TRP 30 4.872 12.071 -9.819 256 HD1 TRP 30 HD TRP 30 4.181 11.442 -6.095 257 HE1 TRP 30 1HE TRP 30 1.666 11.016 -5.784 258 HE3 TRP 30 3HE TRP 30 2.787 11.290 -11.002 259 HZ2 TRP 30 2HZ TRP 30 -0.623 10.671 -7.413 260 HZ3 TRP 30 3HZ TRP 30 0.412 10.908 -11.544 261 HH2 TRP 30 HH TRP 30 -1.250 10.605 -9.779 Start of MODEL 6 1 H1 TYR 1 1HT TYR 1 -12.848 0.052 3.612 2 H2 TYR 1 2HT TYR 1 -13.174 1.348 2.601 3 H3 TYR 1 3HT TYR 1 -13.579 1.459 4.240 4 HA TYR 1 HA TYR 1 -11.623 2.717 3.761 5 HB2 TYR 1 2HB TYR 1 -10.976 0.142 5.222 6 HB3 TYR 1 1HB TYR 1 -10.051 1.631 5.333 7 HD1 TYR 1 1HD TYR 1 -12.727 -0.272 6.699 8 HD2 TYR 1 2HD TYR 1 -11.292 3.704 6.234 9 HE1 TYR 1 1HE TYR 1 -14.147 0.453 8.554 10 HE2 TYR 1 2HE TYR 1 -12.701 4.436 8.076 11 HH TYR 1 HH TYR 1 -14.752 3.706 9.213 12 H CYS 2 H CYS 2 -9.254 2.462 3.339 13 HA CYS 2 HA CYS 2 -8.502 0.344 1.538 14 HB2 CYS 2 2HB CYS 2 -9.420 2.215 0.108 15 HB3 CYS 2 1HB CYS 2 -8.262 3.296 0.877 16 H GLN 3 H GLN 3 -6.067 0.523 1.321 17 HA GLN 3 HA GLN 3 -5.184 1.112 3.994 18 HB2 GLN 3 2HB GLN 3 -3.586 -0.183 1.793 19 HB3 GLN 3 1HB GLN 3 -3.149 -0.073 3.477 20 HG2 GLN 3 2HG GLN 3 -5.457 -1.626 2.346 21 HG3 GLN 3 1HG GLN 3 -3.949 -2.282 2.983 22 HE21 GLN 3 1HE2 GLN 3 -3.577 -2.197 5.212 23 HE22 GLN 3 2HE2 GLN 3 -4.880 -1.990 6.324 24 H LYS 4 H LYS 4 -3.921 2.627 4.630 25 HA LYS 4 HA LYS 4 -3.134 4.701 2.743 26 HB2 LYS 4 2HB LYS 4 -2.951 4.625 5.753 27 HB3 LYS 4 1HB LYS 4 -2.648 6.022 4.728 28 HG2 LYS 4 2HG LYS 4 -5.010 6.011 4.039 29 HG3 LYS 4 1HG LYS 4 -5.300 4.635 5.106 30 HD2 LYS 4 2HD LYS 4 -4.351 7.376 5.969 31 HD3 LYS 4 1HD LYS 4 -5.989 6.751 6.154 32 HE2 LYS 4 2HE LYS 4 -5.132 4.973 7.619 33 HE3 LYS 4 1HE LYS 4 -3.501 5.599 7.432 34 HZ1 LYS 4 1HZ LYS 4 -4.471 6.346 9.488 35 HZ2 LYS 4 2HZ LYS 4 -5.776 7.021 8.703 36 HZ3 LYS 4 3HZ LYS 4 -4.246 7.668 8.488 37 H TRP 5 H TRP 5 -0.941 5.736 3.345 38 HA TRP 5 HA TRP 5 1.055 3.849 2.680 39 HB2 TRP 5 2HB TRP 5 2.604 5.759 2.784 40 HB3 TRP 5 1HB TRP 5 1.122 6.165 1.924 41 HD1 TRP 5 HD TRP 5 3.032 6.954 5.129 42 HE1 TRP 5 1HE TRP 5 2.022 9.023 6.225 43 HE3 TRP 5 3HE TRP 5 -1.033 7.553 2.088 44 HZ2 TRP 5 2HZ TRP 5 -0.209 10.709 5.850 45 HZ3 TRP 5 3HZ TRP 5 -2.550 9.426 2.529 46 HH2 TRP 5 HH TRP 5 -2.147 10.968 4.359 47 H MET 6 H MET 6 -0.022 5.101 5.721 48 HA MET 6 HA MET 6 2.327 4.282 7.201 49 HB2 MET 6 2HB MET 6 0.853 6.158 7.921 50 HB3 MET 6 1HB MET 6 -0.435 4.997 8.187 51 HG2 MET 6 2HG MET 6 0.975 3.847 9.837 52 HG3 MET 6 1HG MET 6 2.195 5.091 9.593 53 HE1 MET 6 1HE MET 6 -1.319 4.177 10.963 54 HE2 MET 6 2HE MET 6 -1.759 5.411 9.779 55 HE3 MET 6 3HE MET 6 -1.967 5.723 11.499 56 H TRP 7 H TRP 7 -0.482 2.963 6.036 57 HA TRP 7 HA TRP 7 -0.580 0.767 7.923 58 HB2 TRP 7 2HB TRP 7 -2.392 1.492 5.611 59 HB3 TRP 7 1HB TRP 7 -2.566 0.009 6.531 60 HD1 TRP 7 HD TRP 7 -1.691 2.598 8.977 61 HE1 TRP 7 1HE TRP 7 -3.825 3.550 10.129 62 HE3 TRP 7 3HE TRP 7 -5.255 0.733 5.831 63 HZ2 TRP 7 2HZ TRP 7 -6.597 3.512 9.729 64 HZ3 TRP 7 3HZ TRP 7 -7.607 1.243 6.275 65 HH2 TRP 7 HH TRP 7 -8.263 2.600 8.192 66 H THR 8 H THR 8 -1.072 -1.375 6.709 67 HA THR 8 HA THR 8 1.045 -1.731 4.747 68 HB THR 8 HB THR 8 1.614 -3.866 5.933 69 HG1 THR 8 1HG THR 8 -0.393 -2.909 7.715 70 HG21 THR 8 1HG2 THR 8 2.649 -2.896 7.926 71 HG22 THR 8 2HG2 THR 8 1.572 -1.505 7.826 72 HG23 THR 8 3HG2 THR 8 2.796 -1.742 6.593 73 H CYS 9 H CYS 9 0.560 -4.006 3.495 74 HA CYS 9 HA CYS 9 -2.351 -4.231 3.607 75 HB2 CYS 9 2HB CYS 9 -2.437 -4.617 1.244 76 HB3 CYS 9 1HB CYS 9 -1.549 -3.126 1.533 77 H ASP 10 H ASP 10 -2.973 -6.338 2.346 78 HA ASP 10 HA ASP 10 -1.345 -8.606 3.247 79 HB2 ASP 10 2HB ASP 10 -4.340 -8.283 3.749 80 HB3 ASP 10 1HB ASP 10 -3.431 -9.752 4.019 81 H SER 11 H SER 11 -3.032 -10.552 2.391 82 HA SER 11 HA SER 11 -3.161 -10.247 -0.405 83 HB2 SER 11 2HB SER 11 -4.448 -12.510 0.038 84 HB3 SER 11 1HB SER 11 -2.703 -12.402 0.307 85 HG SER 11 HG SER 11 -4.441 -13.129 2.066 86 H GLU 12 H GLU 12 -5.384 -10.059 2.261 87 HA GLU 12 HA GLU 12 -7.711 -9.750 0.589 88 HB2 GLU 12 2HB GLU 12 -8.919 -9.437 2.742 89 HB3 GLU 12 1HB GLU 12 -8.013 -10.941 2.650 90 HG2 GLU 12 2HG GLU 12 -6.292 -10.066 4.053 91 HG3 GLU 12 1HG GLU 12 -7.007 -8.458 4.005 92 H ARG 13 H ARG 13 -5.694 -7.653 2.601 93 HA ARG 13 HA ARG 13 -7.309 -5.358 1.782 94 HB2 ARG 13 2HB ARG 13 -5.069 -5.535 3.808 95 HB3 ARG 13 1HB ARG 13 -5.963 -4.075 3.424 96 HG2 ARG 13 2HG ARG 13 -8.020 -5.174 4.241 97 HG3 ARG 13 1HG ARG 13 -7.049 -6.569 4.714 98 HD2 ARG 13 2HD ARG 13 -6.694 -3.754 5.707 99 HD3 ARG 13 1HD ARG 13 -7.471 -5.057 6.603 100 HE ARG 13 HE ARG 13 -4.951 -5.997 5.977 101 HH11 ARG 13 1HH1 ARG 13 -6.194 -3.222 7.804 102 HH12 ARG 13 2HH1 ARG 13 -4.862 -3.164 8.847 103 HH21 ARG 13 1HH2 ARG 13 -3.150 -5.880 7.354 104 HH22 ARG 13 2HH2 ARG 13 -3.076 -4.700 8.576 105 H LYS 14 H LYS 14 -6.625 -4.344 -0.025 106 HA LYS 14 HA LYS 14 -3.771 -4.518 -0.650 107 HB2 LYS 14 2HB LYS 14 -6.104 -3.945 -2.484 108 HB3 LYS 14 1HB LYS 14 -4.420 -3.951 -2.977 109 HG2 LYS 14 2HG LYS 14 -4.264 -6.334 -2.338 110 HG3 LYS 14 1HG LYS 14 -5.982 -6.314 -1.946 111 HD2 LYS 14 2HD LYS 14 -4.820 -5.694 -4.669 112 HD3 LYS 14 1HD LYS 14 -5.494 -7.249 -4.191 113 HE2 LYS 14 2HE LYS 14 -7.012 -4.636 -4.253 114 HE3 LYS 14 1HE LYS 14 -7.067 -5.879 -5.499 115 HZ1 LYS 14 1HZ LYS 14 -7.961 -6.209 -2.679 116 HZ2 LYS 14 2HZ LYS 14 -7.935 -7.421 -3.823 117 HZ3 LYS 14 3HZ LYS 14 -8.947 -6.098 -4.036 118 H CYS 15 H CYS 15 -2.686 -2.644 -1.398 119 HA CYS 15 HA CYS 15 -3.488 -0.241 -0.046 120 HB2 CYS 15 2HB CYS 15 -1.226 -0.648 -2.017 121 HB3 CYS 15 1HB CYS 15 -1.394 0.677 -0.870 122 H CYS 16 H CYS 16 -3.880 1.807 -1.078 123 HA CYS 16 HA CYS 16 -5.762 1.614 -3.144 124 HB2 CYS 16 2HB CYS 16 -4.266 4.082 -2.259 125 HB3 CYS 16 1HB CYS 16 -5.812 4.029 -3.094 126 H LYS 17 H LYS 17 -5.667 2.742 -5.249 127 HA LYS 17 HA LYS 17 -3.431 2.012 -6.784 128 HB2 LYS 17 2HB LYS 17 -5.668 3.951 -7.435 129 HB3 LYS 17 1HB LYS 17 -4.489 3.342 -8.590 130 HG2 LYS 17 2HG LYS 17 -5.294 1.079 -8.252 131 HG3 LYS 17 1HG LYS 17 -6.463 1.659 -7.071 132 HD2 LYS 17 2HD LYS 17 -7.563 1.311 -9.198 133 HD3 LYS 17 1HD LYS 17 -7.527 3.031 -8.834 134 HE2 LYS 17 2HE LYS 17 -7.016 2.654 -11.179 135 HE3 LYS 17 1HE LYS 17 -5.599 3.289 -10.355 136 HZ1 LYS 17 1HZ LYS 17 -4.720 1.022 -10.245 137 HZ2 LYS 17 2HZ LYS 17 -4.986 1.516 -11.808 138 HZ3 LYS 17 3HZ LYS 17 -6.072 0.445 -11.083 139 H GLY 18 H GLY 18 -1.622 3.033 -7.221 140 HA2 GLY 18 2HA GLY 18 -0.319 5.072 -7.506 141 HA3 GLY 18 1HA GLY 18 -1.295 5.801 -6.229 142 H MET 19 H MET 19 -1.038 2.881 -5.141 143 HA MET 19 HA MET 19 1.614 3.150 -3.910 144 HB2 MET 19 2HB MET 19 -0.973 2.197 -2.666 145 HB3 MET 19 1HB MET 19 0.605 2.022 -1.922 146 HG2 MET 19 2HG MET 19 0.839 4.356 -1.720 147 HG3 MET 19 1HG MET 19 -0.663 4.661 -2.616 148 HE1 MET 19 1HE MET 19 -1.723 6.155 -0.738 149 HE2 MET 19 2HE MET 19 -0.184 6.049 0.115 150 HE3 MET 19 3HE MET 19 -1.695 5.742 0.977 151 H VAL 20 H VAL 20 2.516 1.094 -3.338 152 HA VAL 20 HA VAL 20 1.409 -1.083 -4.943 153 HB VAL 20 HB VAL 20 3.732 -0.440 -5.588 154 HG11 VAL 20 1HG1 VAL 20 5.624 -0.883 -4.106 155 HG12 VAL 20 2HG1 VAL 20 4.498 -1.237 -2.795 156 HG13 VAL 20 3HG1 VAL 20 4.563 0.384 -3.487 157 HG21 VAL 20 1HG2 VAL 20 3.055 -2.741 -5.937 158 HG22 VAL 20 2HG2 VAL 20 3.542 -3.159 -4.295 159 HG23 VAL 20 3HG2 VAL 20 4.758 -2.677 -5.481 160 H CYS 21 H CYS 21 0.847 -2.928 -4.001 161 HA CYS 21 HA CYS 21 0.517 -2.912 -1.166 162 HB2 CYS 21 2HB CYS 21 -1.180 -3.854 -2.753 163 HB3 CYS 21 1HB CYS 21 -0.033 -5.114 -3.181 164 H ARG 22 H ARG 22 2.086 -3.426 0.136 165 HA ARG 22 HA ARG 22 3.901 -5.590 -0.502 166 HB2 ARG 22 2HB ARG 22 4.725 -3.169 -1.180 167 HB3 ARG 22 1HB ARG 22 4.924 -2.948 0.543 168 HG2 ARG 22 2HG ARG 22 7.052 -3.523 -0.158 169 HG3 ARG 22 1HG ARG 22 6.427 -5.071 0.395 170 HD2 ARG 22 2HD ARG 22 6.517 -4.114 -2.470 171 HD3 ARG 22 1HD ARG 22 7.611 -5.276 -1.735 172 HE ARG 22 HE ARG 22 5.148 -6.354 -1.365 173 HH11 ARG 22 1HH1 ARG 22 6.952 -5.274 -4.209 174 HH12 ARG 22 2HH1 ARG 22 6.226 -6.382 -5.269 175 HH21 ARG 22 1HH2 ARG 22 4.098 -7.829 -2.830 176 HH22 ARG 22 2HH2 ARG 22 4.557 -7.873 -4.469 177 H LEU 23 H LEU 23 5.454 -5.451 1.721 178 HA LEU 23 HA LEU 23 4.008 -6.220 3.937 179 HB2 LEU 23 2HB LEU 23 6.733 -4.937 3.893 180 HB3 LEU 23 1HB LEU 23 6.073 -5.886 5.208 181 HG LEU 23 HG LEU 23 6.754 -6.908 2.455 182 HD11 LEU 23 1HD1 LEU 23 8.075 -7.338 5.120 183 HD12 LEU 23 2HD1 LEU 23 8.710 -6.400 3.767 184 HD13 LEU 23 3HD1 LEU 23 8.503 -8.144 3.613 185 HD21 LEU 23 1HD2 LEU 23 5.714 -8.375 4.884 186 HD22 LEU 23 2HD2 LEU 23 6.297 -9.134 3.404 187 HD23 LEU 23 3HD2 LEU 23 4.852 -8.128 3.364 188 H TRP 24 H TRP 24 4.666 -3.049 2.776 189 HA TRP 24 HA TRP 24 2.843 -2.069 4.708 190 HB2 TRP 24 2HB TRP 24 4.139 -0.127 5.329 191 HB3 TRP 24 1HB TRP 24 5.219 -1.499 5.526 192 HD1 TRP 24 HD TRP 24 4.649 1.577 3.559 193 HE1 TRP 24 1HE TRP 24 6.769 2.133 2.094 194 HE3 TRP 24 3HE TRP 24 7.245 -2.689 4.351 195 HZ2 TRP 24 2HZ TRP 24 9.204 0.849 1.441 196 HZ3 TRP 24 3HZ TRP 24 9.446 -2.981 3.299 197 HH2 TRP 24 HH TRP 24 10.401 -1.241 1.874 198 H CYS 25 H CYS 25 1.929 0.097 3.726 199 HA CYS 25 HA CYS 25 1.825 -0.314 0.887 200 HB2 CYS 25 2HB CYS 25 0.381 1.612 2.691 201 HB3 CYS 25 1HB CYS 25 0.195 1.613 0.937 202 H LYS 26 H LYS 26 3.145 0.475 -0.430 203 HA LYS 26 HA LYS 26 4.763 2.770 0.390 204 HB2 LYS 26 2HB LYS 26 6.065 0.764 0.120 205 HB3 LYS 26 1HB LYS 26 5.350 0.453 -1.450 206 HG2 LYS 26 2HG LYS 26 6.447 2.415 -2.355 207 HG3 LYS 26 1HG LYS 26 7.127 2.781 -0.774 208 HD2 LYS 26 2HD LYS 26 8.363 0.678 -0.807 209 HD3 LYS 26 1HD LYS 26 7.631 0.265 -2.358 210 HE2 LYS 26 2HE LYS 26 8.692 2.202 -3.383 211 HE3 LYS 26 1HE LYS 26 9.412 2.636 -1.835 212 HZ1 LYS 26 1HZ LYS 26 10.943 1.424 -3.321 213 HZ2 LYS 26 2HZ LYS 26 9.917 0.084 -3.251 214 HZ3 LYS 26 3HZ LYS 26 10.679 0.622 -1.863 215 H LYS 27 H LYS 27 4.764 4.522 -0.868 216 HA LYS 27 HA LYS 27 2.769 4.711 -2.905 217 HB2 LYS 27 2HB LYS 27 3.532 7.040 -3.143 218 HB3 LYS 27 1HB LYS 27 3.142 6.607 -1.487 219 HG2 LYS 27 2HG LYS 27 5.511 6.415 -0.972 220 HG3 LYS 27 1HG LYS 27 5.916 6.777 -2.651 221 HD2 LYS 27 2HD LYS 27 4.869 8.976 -2.432 222 HD3 LYS 27 1HD LYS 27 4.450 8.616 -0.757 223 HE2 LYS 27 2HE LYS 27 6.813 8.397 -0.211 224 HE3 LYS 27 1HE LYS 27 7.232 8.740 -1.888 225 HZ1 LYS 27 1HZ LYS 27 6.167 10.921 -1.622 226 HZ2 LYS 27 2HZ LYS 27 7.483 10.672 -0.591 227 HZ3 LYS 27 3HZ LYS 27 5.923 10.588 0.028 228 H LYS 28 H LYS 28 3.076 5.112 -5.074 229 HA LYS 28 HA LYS 28 5.567 4.048 -6.117 230 HB2 LYS 28 2HB LYS 28 3.258 3.309 -6.957 231 HB3 LYS 28 1HB LYS 28 3.095 4.904 -7.654 232 HG2 LYS 28 2HG LYS 28 3.764 3.346 -9.363 233 HG3 LYS 28 1HG LYS 28 5.077 4.483 -9.062 234 HD2 LYS 28 2HD LYS 28 6.001 2.262 -9.287 235 HD3 LYS 28 1HD LYS 28 6.167 2.769 -7.614 236 HE2 LYS 28 2HE LYS 28 5.464 0.467 -7.660 237 HE3 LYS 28 1HE LYS 28 4.120 1.433 -7.070 238 HZ1 LYS 28 1HZ LYS 28 4.444 0.349 -9.815 239 HZ2 LYS 28 2HZ LYS 28 3.146 1.316 -9.331 240 HZ3 LYS 28 3HZ LYS 28 3.363 -0.199 -8.653 241 H LEU 29 H LEU 29 7.128 5.344 -6.889 242 HA LEU 29 HA LEU 29 6.697 8.195 -6.697 243 HB2 LEU 29 2HB LEU 29 9.200 6.584 -7.232 244 HB3 LEU 29 1HB LEU 29 9.164 8.327 -7.216 245 HG LEU 29 HG LEU 29 10.095 7.601 -5.165 246 HD11 LEU 29 1HD1 LEU 29 8.631 8.562 -3.515 247 HD12 LEU 29 2HD1 LEU 29 7.275 8.455 -4.633 248 HD13 LEU 29 3HD1 LEU 29 8.642 9.509 -5.002 249 HD21 LEU 29 1HD2 LEU 29 9.271 5.312 -5.095 250 HD22 LEU 29 2HD2 LEU 29 7.645 5.891 -4.737 251 HD23 LEU 29 3HD2 LEU 29 8.945 6.135 -3.569 252 H TRP 30 H TRP 30 7.200 5.763 -9.101 253 HA TRP 30 HA TRP 30 6.749 7.800 -11.144 254 HB2 TRP 30 2HB TRP 30 8.681 5.475 -11.320 255 HB3 TRP 30 1HB TRP 30 8.257 6.538 -12.656 256 HD1 TRP 30 HD TRP 30 10.450 6.336 -9.571 257 HE1 TRP 30 1HE TRP 30 12.019 8.387 -9.507 258 HE3 TRP 30 3HE TRP 30 8.375 9.069 -13.355 259 HZ2 TRP 30 2HZ TRP 30 12.316 10.837 -10.870 260 HZ3 TRP 30 3HZ TRP 30 9.358 11.252 -13.909 261 HH2 TRP 30 HH TRP 30 11.288 12.111 -12.687 Start of MODEL 7 1 H1 TYR 1 1HT TYR 1 -13.031 0.969 4.407 2 H2 TYR 1 2HT TYR 1 -11.455 1.568 4.394 3 H3 TYR 1 3HT TYR 1 -11.765 -0.016 3.933 4 HA TYR 1 HA TYR 1 -12.996 0.648 2.038 5 HB2 TYR 1 2HB TYR 1 -12.220 3.469 2.837 6 HB3 TYR 1 1HB TYR 1 -12.963 3.011 1.320 7 HD1 TYR 1 1HD TYR 1 -13.510 3.766 4.822 8 HD2 TYR 1 2HD TYR 1 -15.331 2.247 1.289 9 HE1 TYR 1 1HE TYR 1 -15.710 4.157 5.801 10 HE2 TYR 1 2HE TYR 1 -17.546 2.634 2.264 11 HH TYR 1 HH TYR 1 -18.041 4.554 4.940 12 H CYS 2 H CYS 2 -10.101 2.494 3.090 13 HA CYS 2 HA CYS 2 -8.698 1.391 0.793 14 HB2 CYS 2 2HB CYS 2 -9.530 3.627 0.202 15 HB3 CYS 2 1HB CYS 2 -8.820 4.281 1.672 16 H GLN 3 H GLN 3 -6.383 1.635 1.077 17 HA GLN 3 HA GLN 3 -5.589 1.530 3.898 18 HB2 GLN 3 2HB GLN 3 -4.227 0.290 1.504 19 HB3 GLN 3 1HB GLN 3 -3.581 0.273 3.129 20 HG2 GLN 3 2HG GLN 3 -6.099 -1.090 2.201 21 HG3 GLN 3 1HG GLN 3 -4.561 -1.865 2.573 22 HE21 GLN 3 1HE2 GLN 3 -3.890 -1.991 4.774 23 HE22 GLN 3 2HE2 GLN 3 -5.039 -1.834 6.034 24 H LYS 4 H LYS 4 -4.107 2.971 4.546 25 HA LYS 4 HA LYS 4 -3.197 4.922 2.602 26 HB2 LYS 4 2HB LYS 4 -2.965 4.870 5.605 27 HB3 LYS 4 1HB LYS 4 -2.353 6.157 4.580 28 HG2 LYS 4 2HG LYS 4 -4.659 6.573 3.820 29 HG3 LYS 4 1HG LYS 4 -5.225 5.364 4.980 30 HD2 LYS 4 2HD LYS 4 -4.235 6.676 6.800 31 HD3 LYS 4 1HD LYS 4 -3.685 7.877 5.632 32 HE2 LYS 4 2HE LYS 4 -6.051 8.253 4.985 33 HE3 LYS 4 1HE LYS 4 -6.531 7.128 6.255 34 HZ1 LYS 4 1HZ LYS 4 -5.055 9.663 6.656 35 HZ2 LYS 4 2HZ LYS 4 -5.504 8.602 7.883 36 HZ3 LYS 4 3HZ LYS 4 -6.683 9.416 6.995 37 H TRP 5 H TRP 5 -1.024 5.650 2.724 38 HA TRP 5 HA TRP 5 0.922 3.674 2.293 39 HB2 TRP 5 2HB TRP 5 2.486 5.581 2.202 40 HB3 TRP 5 1HB TRP 5 1.017 5.902 1.280 41 HD1 TRP 5 HD TRP 5 3.040 7.174 4.211 42 HE1 TRP 5 1HE TRP 5 1.942 9.295 5.171 43 HE3 TRP 5 3HE TRP 5 -1.369 7.108 1.590 44 HZ2 TRP 5 2HZ TRP 5 -0.447 10.734 4.866 45 HZ3 TRP 5 3HZ TRP 5 -2.988 8.894 2.004 46 HH2 TRP 5 HH TRP 5 -2.527 10.667 3.601 47 H MET 6 H MET 6 -0.077 5.386 5.093 48 HA MET 6 HA MET 6 2.211 4.821 6.725 49 HB2 MET 6 2HB MET 6 0.879 5.749 8.562 50 HB3 MET 6 1HB MET 6 0.842 6.806 7.158 51 HG2 MET 6 2HG MET 6 -1.368 5.915 6.581 52 HG3 MET 6 1HG MET 6 -1.331 4.910 8.025 53 HE1 MET 6 1HE MET 6 0.037 6.953 10.135 54 HE2 MET 6 2HE MET 6 -1.340 5.915 10.511 55 HE3 MET 6 3HE MET 6 -1.413 7.641 10.863 56 H TRP 7 H TRP 7 -0.336 2.956 5.620 57 HA TRP 7 HA TRP 7 -0.201 1.196 7.940 58 HB2 TRP 7 2HB TRP 7 -2.333 1.311 5.778 59 HB3 TRP 7 1HB TRP 7 -2.334 0.215 7.149 60 HD1 TRP 7 HD TRP 7 -1.433 2.813 9.155 61 HE1 TRP 7 1HE TRP 7 -3.353 4.375 9.889 62 HE3 TRP 7 3HE TRP 7 -4.897 1.512 5.684 63 HZ2 TRP 7 2HZ TRP 7 -6.002 4.953 9.097 64 HZ3 TRP 7 3HZ TRP 7 -7.112 2.607 5.731 65 HH2 TRP 7 HH TRP 7 -7.640 4.288 7.418 66 H THR 8 H THR 8 -0.991 -1.127 6.750 67 HA THR 8 HA THR 8 1.135 -1.536 4.802 68 HB THR 8 HB THR 8 1.547 -3.746 5.921 69 HG1 THR 8 1HG THR 8 -0.273 -2.711 7.865 70 HG21 THR 8 1HG2 THR 8 2.921 -1.774 6.577 71 HG22 THR 8 2HG2 THR 8 2.681 -2.880 7.924 72 HG23 THR 8 3HG2 THR 8 1.740 -1.394 7.826 73 H CYS 9 H CYS 9 0.626 -3.909 3.541 74 HA CYS 9 HA CYS 9 -2.195 -4.394 3.752 75 HB2 CYS 9 2HB CYS 9 -2.520 -4.374 1.323 76 HB3 CYS 9 1HB CYS 9 -2.050 -2.797 1.934 77 H ASP 10 H ASP 10 -2.643 -6.296 1.990 78 HA ASP 10 HA ASP 10 -0.628 -8.325 2.005 79 HB2 ASP 10 2HB ASP 10 -1.477 -8.326 4.396 80 HB3 ASP 10 1HB ASP 10 -3.093 -8.618 3.774 81 H SER 11 H SER 11 -2.547 -10.468 1.678 82 HA SER 11 HA SER 11 -3.574 -9.806 -0.900 83 HB2 SER 11 2HB SER 11 -3.915 -12.315 0.752 84 HB3 SER 11 1HB SER 11 -4.107 -12.153 -0.997 85 HG SER 11 HG SER 11 -2.028 -13.010 -0.151 86 H GLU 12 H GLU 12 -4.730 -10.163 2.377 87 HA GLU 12 HA GLU 12 -7.483 -10.108 1.589 88 HB2 GLU 12 2HB GLU 12 -7.990 -9.977 4.027 89 HB3 GLU 12 1HB GLU 12 -6.971 -11.335 3.601 90 HG2 GLU 12 2HG GLU 12 -5.018 -10.146 4.437 91 HG3 GLU 12 1HG GLU 12 -6.028 -8.752 4.810 92 H ARG 13 H ARG 13 -5.284 -7.744 3.102 93 HA ARG 13 HA ARG 13 -7.230 -5.674 2.420 94 HB2 ARG 13 2HB ARG 13 -4.717 -5.566 4.068 95 HB3 ARG 13 1HB ARG 13 -5.588 -4.129 3.578 96 HG2 ARG 13 2HG ARG 13 -6.674 -6.355 5.236 97 HG3 ARG 13 1HG ARG 13 -6.043 -4.834 5.891 98 HD2 ARG 13 2HD ARG 13 -8.404 -4.565 5.855 99 HD3 ARG 13 1HD ARG 13 -7.838 -3.713 4.421 100 HE ARG 13 HE ARG 13 -8.525 -6.463 4.012 101 HH11 ARG 13 1HH1 ARG 13 -9.795 -3.138 3.891 102 HH12 ARG 13 2HH1 ARG 13 -11.091 -3.525 2.885 103 HH21 ARG 13 1HH2 ARG 13 -10.247 -6.969 2.617 104 HH22 ARG 13 2HH2 ARG 13 -11.372 -5.789 2.117 105 H LYS 14 H LYS 14 -7.057 -4.964 0.502 106 HA LYS 14 HA LYS 14 -4.483 -5.013 -0.846 107 HB2 LYS 14 2HB LYS 14 -7.229 -4.321 -1.870 108 HB3 LYS 14 1HB LYS 14 -5.767 -4.222 -2.840 109 HG2 LYS 14 2HG LYS 14 -6.745 -6.702 -1.500 110 HG3 LYS 14 1HG LYS 14 -7.070 -6.287 -3.199 111 HD2 LYS 14 2HD LYS 14 -4.638 -6.274 -3.608 112 HD3 LYS 14 1HD LYS 14 -4.360 -6.713 -1.924 113 HE2 LYS 14 2HE LYS 14 -4.196 -8.656 -3.384 114 HE3 LYS 14 1HE LYS 14 -5.540 -8.813 -2.258 115 HZ1 LYS 14 1HZ LYS 14 -6.108 -9.511 -4.498 116 HZ2 LYS 14 2HZ LYS 14 -5.793 -7.966 -5.097 117 HZ3 LYS 14 3HZ LYS 14 -7.059 -8.217 -4.021 118 H CYS 15 H CYS 15 -3.388 -3.359 -1.396 119 HA CYS 15 HA CYS 15 -4.013 -0.908 0.003 120 HB2 CYS 15 2HB CYS 15 -1.660 -1.934 -0.123 121 HB3 CYS 15 1HB CYS 15 -1.606 -1.321 -1.768 122 H CYS 16 H CYS 16 -3.981 1.152 -1.082 123 HA CYS 16 HA CYS 16 -5.628 0.968 -3.423 124 HB2 CYS 16 2HB CYS 16 -4.770 3.352 -1.810 125 HB3 CYS 16 1HB CYS 16 -6.078 3.300 -2.992 126 H LYS 17 H LYS 17 -5.303 2.312 -5.258 127 HA LYS 17 HA LYS 17 -2.733 2.060 -6.346 128 HB2 LYS 17 2HB LYS 17 -5.090 3.682 -7.320 129 HB3 LYS 17 1HB LYS 17 -3.661 3.299 -8.276 130 HG2 LYS 17 2HG LYS 17 -4.170 0.897 -8.040 131 HG3 LYS 17 1HG LYS 17 -5.627 1.316 -7.151 132 HD2 LYS 17 2HD LYS 17 -5.025 2.107 -9.998 133 HD3 LYS 17 1HD LYS 17 -6.078 0.780 -9.515 134 HE2 LYS 17 2HE LYS 17 -7.516 2.431 -8.328 135 HE3 LYS 17 1HE LYS 17 -6.488 3.716 -8.958 136 HZ1 LYS 17 1HZ LYS 17 -7.072 3.042 -11.194 137 HZ2 LYS 17 2HZ LYS 17 -8.468 3.394 -10.328 138 HZ3 LYS 17 3HZ LYS 17 -8.027 1.798 -10.608 139 H GLY 18 H GLY 18 -1.198 3.568 -6.830 140 HA2 GLY 18 2HA GLY 18 -0.336 5.810 -6.698 141 HA3 GLY 18 1HA GLY 18 -1.329 6.042 -5.251 142 H MET 19 H MET 19 -0.789 3.218 -4.497 143 HA MET 19 HA MET 19 1.996 3.446 -3.675 144 HB2 MET 19 2HB MET 19 -0.331 2.333 -2.075 145 HB3 MET 19 1HB MET 19 1.350 2.102 -1.651 146 HG2 MET 19 2HG MET 19 0.630 3.839 -0.258 147 HG3 MET 19 1HG MET 19 1.518 4.625 -1.542 148 HE1 MET 19 1HE MET 19 -2.170 3.187 -1.676 149 HE2 MET 19 2HE MET 19 -3.070 4.630 -1.217 150 HE3 MET 19 3HE MET 19 -1.997 3.856 -0.053 151 H VAL 20 H VAL 20 2.837 1.299 -3.124 152 HA VAL 20 HA VAL 20 1.883 -0.732 -5.018 153 HB VAL 20 HB VAL 20 4.535 -0.609 -3.543 154 HG11 VAL 20 1HG1 VAL 20 3.658 -2.301 -5.872 155 HG12 VAL 20 2HG1 VAL 20 3.953 -2.845 -4.222 156 HG13 VAL 20 3HG1 VAL 20 5.291 -2.255 -5.208 157 HG21 VAL 20 1HG2 VAL 20 4.435 1.297 -5.013 158 HG22 VAL 20 2HG2 VAL 20 3.936 0.277 -6.363 159 HG23 VAL 20 3HG2 VAL 20 5.556 0.108 -5.680 160 H CYS 21 H CYS 21 1.082 -2.580 -4.142 161 HA CYS 21 HA CYS 21 0.772 -2.611 -1.292 162 HB2 CYS 21 2HB CYS 21 -1.017 -3.359 -2.989 163 HB3 CYS 21 1HB CYS 21 -0.042 -4.814 -3.182 164 H ARG 22 H ARG 22 1.785 -3.926 0.102 165 HA ARG 22 HA ARG 22 3.563 -5.995 -0.630 166 HB2 ARG 22 2HB ARG 22 4.690 -3.746 -1.312 167 HB3 ARG 22 1HB ARG 22 4.761 -3.406 0.403 168 HG2 ARG 22 2HG ARG 22 6.882 -4.191 -0.393 169 HG3 ARG 22 1HG ARG 22 6.208 -5.388 0.705 170 HD2 ARG 22 2HD ARG 22 5.491 -6.750 -1.173 171 HD3 ARG 22 1HD ARG 22 6.019 -5.504 -2.302 172 HE ARG 22 HE ARG 22 8.217 -6.083 -0.831 173 HH11 ARG 22 1HH1 ARG 22 6.032 -8.068 -2.764 174 HH12 ARG 22 2HH1 ARG 22 7.248 -9.121 -3.322 175 HH21 ARG 22 1HH2 ARG 22 9.902 -7.532 -1.602 176 HH22 ARG 22 2HH2 ARG 22 9.504 -8.790 -2.660 177 H LEU 23 H LEU 23 4.991 -6.161 1.631 178 HA LEU 23 HA LEU 23 3.439 -6.724 3.791 179 HB2 LEU 23 2HB LEU 23 5.789 -7.343 3.615 180 HB3 LEU 23 1HB LEU 23 6.277 -5.675 3.783 181 HG LEU 23 HG LEU 23 5.376 -5.695 6.107 182 HD11 LEU 23 1HD1 LEU 23 5.012 -8.643 5.607 183 HD12 LEU 23 2HD1 LEU 23 3.729 -7.464 5.885 184 HD13 LEU 23 3HD1 LEU 23 4.877 -7.838 7.169 185 HD21 LEU 23 1HD2 LEU 23 7.192 -7.038 7.054 186 HD22 LEU 23 2HD2 LEU 23 7.744 -6.070 5.687 187 HD23 LEU 23 3HD2 LEU 23 7.447 -7.797 5.482 188 H TRP 24 H TRP 24 4.615 -3.587 2.787 189 HA TRP 24 HA TRP 24 2.779 -2.393 4.654 190 HB2 TRP 24 2HB TRP 24 4.319 -0.572 5.175 191 HB3 TRP 24 1HB TRP 24 5.129 -2.089 5.533 192 HD1 TRP 24 HD TRP 24 5.325 0.960 3.459 193 HE1 TRP 24 1HE TRP 24 7.546 0.969 2.060 194 HE3 TRP 24 3HE TRP 24 6.814 -3.794 4.338 195 HZ2 TRP 24 2HZ TRP 24 9.604 -0.859 1.444 196 HZ3 TRP 24 3HZ TRP 24 8.905 -4.620 3.318 197 HH2 TRP 24 HH TRP 24 10.264 -3.172 1.903 198 H CYS 25 H CYS 25 2.092 -0.142 3.714 199 HA CYS 25 HA CYS 25 1.966 -0.413 0.858 200 HB2 CYS 25 2HB CYS 25 0.732 1.533 2.792 201 HB3 CYS 25 1HB CYS 25 0.682 1.818 1.055 202 H LYS 26 H LYS 26 3.475 0.218 -0.377 203 HA LYS 26 HA LYS 26 5.387 2.214 0.537 204 HB2 LYS 26 2HB LYS 26 6.245 0.086 -0.285 205 HB3 LYS 26 1HB LYS 26 5.428 0.327 -1.821 206 HG2 LYS 26 2HG LYS 26 6.845 2.324 -2.212 207 HG3 LYS 26 1HG LYS 26 7.705 1.966 -0.716 208 HD2 LYS 26 2HD LYS 26 7.528 0.167 -3.135 209 HD3 LYS 26 1HD LYS 26 8.924 1.140 -2.677 210 HE2 LYS 26 2HE LYS 26 9.059 -0.133 -0.553 211 HE3 LYS 26 1HE LYS 26 7.728 -1.145 -1.107 212 HZ1 LYS 26 1HZ LYS 26 9.864 -2.175 -1.496 213 HZ2 LYS 26 2HZ LYS 26 10.361 -0.892 -2.452 214 HZ3 LYS 26 3HZ LYS 26 9.095 -1.876 -2.955 215 H LYS 27 H LYS 27 5.192 4.259 -0.196 216 HA LYS 27 HA LYS 27 3.268 5.015 -2.157 217 HB2 LYS 27 2HB LYS 27 5.597 6.562 -1.079 218 HB3 LYS 27 1HB LYS 27 4.334 7.240 -2.065 219 HG2 LYS 27 2HG LYS 27 2.660 6.748 -0.360 220 HG3 LYS 27 1HG LYS 27 3.905 6.022 0.653 221 HD2 LYS 27 2HD LYS 27 3.352 8.303 1.381 222 HD3 LYS 27 1HD LYS 27 5.028 8.171 0.860 223 HE2 LYS 27 2HE LYS 27 4.004 10.239 0.054 224 HE3 LYS 27 1HE LYS 27 4.460 9.194 -1.281 225 HZ1 LYS 27 1HZ LYS 27 2.091 8.531 -1.477 226 HZ2 LYS 27 2HZ LYS 27 2.347 10.162 -1.671 227 HZ3 LYS 27 3HZ LYS 27 1.692 9.613 -0.228 228 H LYS 28 H LYS 28 3.481 5.348 -4.231 229 HA LYS 28 HA LYS 28 6.094 4.702 -5.385 230 HB2 LYS 28 2HB LYS 28 4.186 3.120 -5.915 231 HB3 LYS 28 1HB LYS 28 3.437 4.443 -6.797 232 HG2 LYS 28 2HG LYS 28 5.408 4.566 -8.263 233 HG3 LYS 28 1HG LYS 28 6.113 3.201 -7.400 234 HD2 LYS 28 2HD LYS 28 4.114 1.855 -8.041 235 HD3 LYS 28 1HD LYS 28 3.575 3.217 -9.023 236 HE2 LYS 28 2HE LYS 28 6.143 1.665 -9.360 237 HE3 LYS 28 1HE LYS 28 4.725 1.568 -10.395 238 HZ1 LYS 28 1HZ LYS 28 6.475 3.967 -10.051 239 HZ2 LYS 28 2HZ LYS 28 5.096 3.903 -11.026 240 HZ3 LYS 28 3HZ LYS 28 6.421 2.933 -11.370 241 H LEU 29 H LEU 29 6.840 6.715 -5.318 242 HA LEU 29 HA LEU 29 5.471 8.839 -6.794 243 HB2 LEU 29 2HB LEU 29 6.434 9.272 -4.536 244 HB3 LEU 29 1HB LEU 29 8.018 8.875 -5.163 245 HG LEU 29 HG LEU 29 7.810 10.813 -6.726 246 HD11 LEU 29 1HD1 LEU 29 6.136 12.520 -6.242 247 HD12 LEU 29 2HD1 LEU 29 5.381 11.449 -5.067 248 HD13 LEU 29 3HD1 LEU 29 5.391 11.014 -6.775 249 HD21 LEU 29 1HD2 LEU 29 7.609 11.421 -3.783 250 HD22 LEU 29 2HD2 LEU 29 8.264 12.492 -5.025 251 HD23 LEU 29 3HD2 LEU 29 9.074 10.969 -4.658 252 H TRP 30 H TRP 30 7.889 6.499 -6.994 253 HA TRP 30 HA TRP 30 9.333 7.691 -9.205 254 HB2 TRP 30 2HB TRP 30 10.526 6.464 -7.388 255 HB3 TRP 30 1HB TRP 30 9.629 5.016 -7.801 256 HD1 TRP 30 HD TRP 30 10.317 3.808 -10.160 257 HE1 TRP 30 1HE TRP 30 12.548 3.811 -11.441 258 HE3 TRP 30 3HE TRP 30 12.503 7.865 -7.963 259 HZ2 TRP 30 2HZ TRP 30 14.923 5.331 -11.506 260 HZ3 TRP 30 3HZ TRP 30 14.757 8.522 -8.683 261 HH2 TRP 30 HH TRP 30 15.941 7.276 -10.421 Start of MODEL 8 1 H1 TYR 1 1HT TYR 1 -11.673 -0.921 3.299 2 H2 TYR 1 2HT TYR 1 -12.450 0.362 4.058 3 H3 TYR 1 3HT TYR 1 -10.821 0.012 4.391 4 HA TYR 1 HA TYR 1 -11.841 0.897 1.790 5 HB2 TYR 1 2HB TYR 1 -10.201 2.347 3.894 6 HB3 TYR 1 1HB TYR 1 -10.499 2.949 2.271 7 HD1 TYR 1 1HD TYR 1 -11.685 2.858 5.631 8 HD2 TYR 1 2HD TYR 1 -12.960 3.302 1.594 9 HE1 TYR 1 1HE TYR 1 -13.765 3.890 6.400 10 HE2 TYR 1 2HE TYR 1 -15.031 4.337 2.356 11 HH TYR 1 HH TYR 1 -15.504 5.515 5.380 12 H CYS 2 H CYS 2 -9.506 1.981 0.879 13 HA CYS 2 HA CYS 2 -7.874 -0.359 0.626 14 HB2 CYS 2 2HB CYS 2 -6.560 1.002 -0.971 15 HB3 CYS 2 1HB CYS 2 -8.264 0.952 -1.389 16 H GLN 3 H GLN 3 -5.613 -0.296 1.049 17 HA GLN 3 HA GLN 3 -5.189 0.898 3.607 18 HB2 GLN 3 2HB GLN 3 -3.338 -0.863 1.993 19 HB3 GLN 3 1HB GLN 3 -3.109 -0.365 3.654 20 HG2 GLN 3 2HG GLN 3 -5.415 -1.990 2.660 21 HG3 GLN 3 1HG GLN 3 -3.982 -2.635 3.458 22 HE21 GLN 3 1HE2 GLN 3 -3.646 -2.084 5.626 23 HE22 GLN 3 2HE2 GLN 3 -4.958 -1.613 6.660 24 H LYS 4 H LYS 4 -3.974 2.532 4.072 25 HA LYS 4 HA LYS 4 -3.011 4.179 1.910 26 HB2 LYS 4 2HB LYS 4 -3.183 4.680 4.879 27 HB3 LYS 4 1HB LYS 4 -2.805 5.877 3.642 28 HG2 LYS 4 2HG LYS 4 -5.007 5.655 2.692 29 HG3 LYS 4 1HG LYS 4 -5.397 4.362 3.827 30 HD2 LYS 4 2HD LYS 4 -5.164 5.916 5.690 31 HD3 LYS 4 1HD LYS 4 -4.736 7.209 4.568 32 HE2 LYS 4 2HE LYS 4 -6.931 6.981 3.495 33 HE3 LYS 4 1HE LYS 4 -7.352 5.714 4.646 34 HZ1 LYS 4 1HZ LYS 4 -7.210 7.293 6.423 35 HZ2 LYS 4 2HZ LYS 4 -8.221 7.931 5.238 36 HZ3 LYS 4 3HZ LYS 4 -6.639 8.486 5.396 37 H TRP 5 H TRP 5 -0.924 5.323 2.340 38 HA TRP 5 HA TRP 5 1.162 3.512 2.201 39 HB2 TRP 5 2HB TRP 5 2.657 5.395 2.063 40 HB3 TRP 5 1HB TRP 5 1.180 5.775 1.190 41 HD1 TRP 5 HD TRP 5 -0.668 7.151 3.082 42 HE1 TRP 5 1HE TRP 5 -0.057 9.260 4.419 43 HE3 TRP 5 3HE TRP 5 4.396 6.741 2.938 44 HZ2 TRP 5 2HZ TRP 5 2.268 10.576 5.288 45 HZ3 TRP 5 3HZ TRP 5 5.745 8.475 4.042 46 HH2 TRP 5 HH TRP 5 4.693 10.345 5.187 47 H MET 6 H MET 6 -0.024 5.204 5.066 48 HA MET 6 HA MET 6 2.315 4.553 6.556 49 HB2 MET 6 2HB MET 6 0.931 6.484 7.217 50 HB3 MET 6 1HB MET 6 -0.395 5.390 7.601 51 HG2 MET 6 2HG MET 6 0.952 4.334 9.322 52 HG3 MET 6 1HG MET 6 2.293 5.392 8.924 53 HE1 MET 6 1HE MET 6 -1.569 6.229 9.207 54 HE2 MET 6 2HE MET 6 -1.667 6.727 10.896 55 HE3 MET 6 3HE MET 6 -1.259 5.060 10.492 56 H TRP 7 H TRP 7 -0.544 2.999 5.737 57 HA TRP 7 HA TRP 7 -0.440 1.079 7.912 58 HB2 TRP 7 2HB TRP 7 -2.355 1.281 5.571 59 HB3 TRP 7 1HB TRP 7 -2.515 0.151 6.900 60 HD1 TRP 7 HD TRP 7 -1.643 2.858 8.921 61 HE1 TRP 7 1HE TRP 7 -3.630 4.376 9.582 62 HE3 TRP 7 3HE TRP 7 -5.021 1.341 5.430 63 HZ2 TRP 7 2HZ TRP 7 -6.271 4.846 8.733 64 HZ3 TRP 7 3HZ TRP 7 -7.263 2.364 5.411 65 HH2 TRP 7 HH TRP 7 -7.872 4.078 7.038 66 H THR 8 H THR 8 -1.022 -1.274 6.905 67 HA THR 8 HA THR 8 1.100 -1.789 4.975 68 HB THR 8 HB THR 8 1.289 -4.016 6.113 69 HG1 THR 8 1HG THR 8 0.115 -3.515 8.412 70 HG21 THR 8 1HG2 THR 8 2.747 -2.151 6.837 71 HG22 THR 8 2HG2 THR 8 2.351 -3.225 8.181 72 HG23 THR 8 3HG2 THR 8 1.527 -1.673 8.016 73 H CYS 9 H CYS 9 0.523 -3.788 3.443 74 HA CYS 9 HA CYS 9 -2.336 -4.203 3.613 75 HB2 CYS 9 2HB CYS 9 -2.464 -4.373 1.140 76 HB3 CYS 9 1HB CYS 9 -2.020 -2.769 1.698 77 H ASP 10 H ASP 10 -2.882 -6.223 2.107 78 HA ASP 10 HA ASP 10 -0.966 -8.334 2.499 79 HB2 ASP 10 2HB ASP 10 -2.066 -7.928 4.789 80 HB3 ASP 10 1HB ASP 10 -3.592 -8.382 4.047 81 H SER 11 H SER 11 -2.897 -10.400 2.278 82 HA SER 11 HA SER 11 -3.613 -10.100 -0.465 83 HB2 SER 11 2HB SER 11 -2.790 -12.232 0.490 84 HB3 SER 11 1HB SER 11 -4.218 -12.313 1.520 85 HG SER 11 HG SER 11 -5.278 -13.080 -0.069 86 H GLU 12 H GLU 12 -5.197 -9.973 2.646 87 HA GLU 12 HA GLU 12 -7.867 -9.792 1.492 88 HB2 GLU 12 2HB GLU 12 -7.021 -9.290 4.329 89 HB3 GLU 12 1HB GLU 12 -8.642 -9.613 3.747 90 HG2 GLU 12 2HG GLU 12 -7.963 -11.879 3.143 91 HG3 GLU 12 1HG GLU 12 -6.342 -11.545 3.759 92 H ARG 13 H ARG 13 -5.396 -7.723 2.773 93 HA ARG 13 HA ARG 13 -7.205 -5.438 2.699 94 HB2 ARG 13 2HB ARG 13 -4.447 -5.723 3.912 95 HB3 ARG 13 1HB ARG 13 -5.389 -4.237 3.916 96 HG2 ARG 13 2HG ARG 13 -7.140 -5.353 5.219 97 HG3 ARG 13 1HG ARG 13 -6.183 -6.828 5.211 98 HD2 ARG 13 2HD ARG 13 -5.251 -4.207 6.367 99 HD3 ARG 13 1HD ARG 13 -6.004 -5.476 7.324 100 HE ARG 13 HE ARG 13 -4.042 -6.871 6.416 101 HH11 ARG 13 1HH1 ARG 13 -3.896 -3.486 7.459 102 HH12 ARG 13 2HH1 ARG 13 -2.226 -3.517 7.778 103 HH21 ARG 13 1HH2 ARG 13 -1.692 -6.893 6.967 104 HH22 ARG 13 2HH2 ARG 13 -0.999 -5.427 7.494 105 H LYS 14 H LYS 14 -7.244 -4.400 0.854 106 HA LYS 14 HA LYS 14 -4.959 -4.592 -0.927 107 HB2 LYS 14 2HB LYS 14 -6.511 -3.685 -2.673 108 HB3 LYS 14 1HB LYS 14 -7.029 -5.206 -1.977 109 HG2 LYS 14 2HG LYS 14 -8.590 -3.905 -0.511 110 HG3 LYS 14 1HG LYS 14 -8.149 -2.463 -1.425 111 HD2 LYS 14 2HD LYS 14 -8.942 -3.531 -3.489 112 HD3 LYS 14 1HD LYS 14 -9.383 -4.974 -2.578 113 HE2 LYS 14 2HE LYS 14 -10.926 -3.598 -1.230 114 HE3 LYS 14 1HE LYS 14 -10.553 -2.209 -2.251 115 HZ1 LYS 14 1HZ LYS 14 -11.855 -4.745 -3.092 116 HZ2 LYS 14 2HZ LYS 14 -11.466 -3.498 -4.149 117 HZ3 LYS 14 3HZ LYS 14 -12.600 -3.247 -2.927 118 H CYS 15 H CYS 15 -3.721 -2.963 -1.478 119 HA CYS 15 HA CYS 15 -3.835 -0.584 0.167 120 HB2 CYS 15 2HB CYS 15 -1.741 -1.976 -0.393 121 HB3 CYS 15 1HB CYS 15 -1.824 -1.223 -1.976 122 H CYS 16 H CYS 16 -3.749 1.555 -0.674 123 HA CYS 16 HA CYS 16 -5.691 2.019 -2.628 124 HB2 CYS 16 2HB CYS 16 -3.679 3.927 -1.434 125 HB3 CYS 16 1HB CYS 16 -5.079 4.399 -2.386 126 H LYS 17 H LYS 17 -5.605 2.796 -4.645 127 HA LYS 17 HA LYS 17 -3.382 2.044 -6.237 128 HB2 LYS 17 2HB LYS 17 -5.850 3.634 -6.962 129 HB3 LYS 17 1HB LYS 17 -4.715 2.921 -8.106 130 HG2 LYS 17 2HG LYS 17 -5.238 0.703 -7.257 131 HG3 LYS 17 1HG LYS 17 -6.389 1.404 -6.122 132 HD2 LYS 17 2HD LYS 17 -7.690 2.272 -8.027 133 HD3 LYS 17 1HD LYS 17 -6.544 1.507 -9.132 134 HE2 LYS 17 2HE LYS 17 -8.297 0.106 -7.112 135 HE3 LYS 17 1HE LYS 17 -8.511 0.106 -8.861 136 HZ1 LYS 17 1HZ LYS 17 -6.312 -1.004 -9.024 137 HZ2 LYS 17 2HZ LYS 17 -7.446 -1.922 -8.246 138 HZ3 LYS 17 3HZ LYS 17 -6.267 -1.141 -7.345 139 H GLY 18 H GLY 18 -1.791 3.229 -7.012 140 HA2 GLY 18 2HA GLY 18 -0.704 5.300 -7.495 141 HA3 GLY 18 1HA GLY 18 -1.701 6.073 -6.258 142 H MET 19 H MET 19 -1.056 3.240 -4.982 143 HA MET 19 HA MET 19 1.490 4.018 -3.750 144 HB2 MET 19 2HB MET 19 -0.904 2.622 -2.514 145 HB3 MET 19 1HB MET 19 0.645 2.836 -1.713 146 HG2 MET 19 2HG MET 19 0.397 5.175 -1.690 147 HG3 MET 19 1HG MET 19 -1.070 5.113 -2.678 148 HE1 MET 19 1HE MET 19 -2.537 6.324 0.700 149 HE2 MET 19 2HE MET 19 -2.499 6.553 -1.050 150 HE3 MET 19 3HE MET 19 -1.042 6.824 -0.093 151 H VAL 20 H VAL 20 2.543 1.984 -2.773 152 HA VAL 20 HA VAL 20 2.292 -0.214 -4.699 153 HB VAL 20 HB VAL 20 4.617 0.540 -2.891 154 HG11 VAL 20 1HG1 VAL 20 4.519 -1.862 -3.243 155 HG12 VAL 20 2HG1 VAL 20 5.888 -1.170 -4.109 156 HG13 VAL 20 3HG1 VAL 20 4.429 -1.623 -4.986 157 HG21 VAL 20 1HG2 VAL 20 4.379 2.119 -4.713 158 HG22 VAL 20 2HG2 VAL 20 4.297 0.800 -5.878 159 HG23 VAL 20 3HG2 VAL 20 5.791 1.096 -4.990 160 H CYS 21 H CYS 21 1.552 -2.085 -3.952 161 HA CYS 21 HA CYS 21 0.954 -2.296 -1.121 162 HB2 CYS 21 2HB CYS 21 -0.766 -2.794 -2.930 163 HB3 CYS 21 1HB CYS 21 0.195 -4.206 -3.335 164 H ARG 22 H ARG 22 2.001 -3.630 0.210 165 HA ARG 22 HA ARG 22 3.587 -5.865 -0.548 166 HB2 ARG 22 2HB ARG 22 4.868 -3.704 -1.208 167 HB3 ARG 22 1HB ARG 22 5.060 -3.496 0.528 168 HG2 ARG 22 2HG ARG 22 6.218 -5.572 0.707 169 HG3 ARG 22 1HG ARG 22 5.891 -5.943 -0.993 170 HD2 ARG 22 2HD ARG 22 7.325 -3.594 0.012 171 HD3 ARG 22 1HD ARG 22 8.122 -5.122 -0.459 172 HE ARG 22 HE ARG 22 6.871 -4.594 -2.672 173 HH11 ARG 22 1HH1 ARG 22 8.484 -2.176 -0.626 174 HH12 ARG 22 2HH1 ARG 22 8.915 -1.167 -1.933 175 HH21 ARG 22 1HH2 ARG 22 7.498 -3.183 -4.447 176 HH22 ARG 22 2HH2 ARG 22 8.342 -1.739 -4.118 177 H LEU 23 H LEU 23 5.039 -6.188 1.700 178 HA LEU 23 HA LEU 23 3.539 -6.807 3.832 179 HB2 LEU 23 2HB LEU 23 5.952 -7.265 3.664 180 HB3 LEU 23 1HB LEU 23 6.298 -5.573 3.946 181 HG LEU 23 HG LEU 23 5.316 -5.785 6.218 182 HD11 LEU 23 1HD1 LEU 23 5.181 -8.720 5.559 183 HD12 LEU 23 2HD1 LEU 23 3.813 -7.645 5.854 184 HD13 LEU 23 3HD1 LEU 23 4.942 -8.013 7.156 185 HD21 LEU 23 1HD2 LEU 23 7.564 -7.701 5.600 186 HD22 LEU 23 2HD2 LEU 23 7.185 -7.033 7.187 187 HD23 LEU 23 3HD2 LEU 23 7.723 -5.969 5.889 188 H TRP 24 H TRP 24 4.952 -3.618 3.220 189 HA TRP 24 HA TRP 24 2.765 -2.560 4.747 190 HB2 TRP 24 2HB TRP 24 4.123 -0.780 5.729 191 HB3 TRP 24 1HB TRP 24 4.850 -2.325 6.132 192 HD1 TRP 24 HD TRP 24 5.348 0.735 3.992 193 HE1 TRP 24 1HE TRP 24 7.875 0.968 3.383 194 HE3 TRP 24 3HE TRP 24 6.993 -3.685 5.872 195 HZ2 TRP 24 2HZ TRP 24 10.230 -0.575 3.696 196 HZ3 TRP 24 3HZ TRP 24 9.386 -4.249 5.690 197 HH2 TRP 24 HH TRP 24 10.964 -2.723 4.624 198 H CYS 25 H CYS 25 2.048 -0.397 3.869 199 HA CYS 25 HA CYS 25 2.378 -0.429 1.030 200 HB2 CYS 25 2HB CYS 25 0.710 1.257 2.876 201 HB3 CYS 25 1HB CYS 25 0.864 1.635 1.164 202 H LYS 26 H LYS 26 2.861 1.467 -0.213 203 HA LYS 26 HA LYS 26 4.663 3.397 0.982 204 HB2 LYS 26 2HB LYS 26 6.010 1.355 0.484 205 HB3 LYS 26 1HB LYS 26 5.472 1.432 -1.182 206 HG2 LYS 26 2HG LYS 26 6.652 3.455 -1.536 207 HG3 LYS 26 1HG LYS 26 7.025 3.585 0.180 208 HD2 LYS 26 2HD LYS 26 8.263 1.396 -0.029 209 HD3 LYS 26 1HD LYS 26 7.999 1.487 -1.767 210 HE2 LYS 26 2HE LYS 26 9.505 3.498 -0.099 211 HE3 LYS 26 1HE LYS 26 10.233 2.275 -1.134 212 HZ1 LYS 26 1HZ LYS 26 9.201 3.351 -3.042 213 HZ2 LYS 26 2HZ LYS 26 10.186 4.414 -2.181 214 HZ3 LYS 26 3HZ LYS 26 8.524 4.530 -2.025 215 H LYS 27 H LYS 27 4.965 5.222 -0.694 216 HA LYS 27 HA LYS 27 2.722 5.362 -2.385 217 HB2 LYS 27 2HB LYS 27 3.466 7.274 -1.155 218 HB3 LYS 27 1HB LYS 27 5.087 7.135 -1.841 219 HG2 LYS 27 2HG LYS 27 3.990 8.920 -2.876 220 HG3 LYS 27 1HG LYS 27 4.150 7.547 -3.996 221 HD2 LYS 27 2HD LYS 27 1.796 6.920 -3.559 222 HD3 LYS 27 1HD LYS 27 1.624 8.313 -2.495 223 HE2 LYS 27 2HE LYS 27 2.248 8.424 -5.449 224 HE3 LYS 27 1HE LYS 27 0.662 8.694 -4.740 225 HZ1 LYS 27 1HZ LYS 27 3.082 10.352 -4.265 226 HZ2 LYS 27 2HZ LYS 27 1.588 10.620 -3.564 227 HZ3 LYS 27 3HZ LYS 27 1.773 10.783 -5.222 228 H LYS 28 H LYS 28 2.832 5.507 -4.600 229 HA LYS 28 HA LYS 28 5.083 4.139 -5.844 230 HB2 LYS 28 2HB LYS 28 2.883 3.273 -6.348 231 HB3 LYS 28 1HB LYS 28 2.320 4.861 -6.829 232 HG2 LYS 28 2HG LYS 28 3.871 4.818 -8.733 233 HG3 LYS 28 1HG LYS 28 4.386 3.202 -8.260 234 HD2 LYS 28 2HD LYS 28 1.536 3.940 -8.919 235 HD3 LYS 28 1HD LYS 28 2.667 3.251 -10.079 236 HE2 LYS 28 2HE LYS 28 1.863 1.923 -7.482 237 HE3 LYS 28 1HE LYS 28 1.120 1.592 -9.038 238 HZ1 LYS 28 1HZ LYS 28 3.265 0.864 -9.869 239 HZ2 LYS 28 2HZ LYS 28 2.779 -0.032 -8.541 240 HZ3 LYS 28 3HZ LYS 28 3.986 1.129 -8.364 241 H LEU 29 H LEU 29 6.648 5.420 -6.522 242 HA LEU 29 HA LEU 29 6.018 8.157 -7.335 243 HB2 LEU 29 2HB LEU 29 8.712 6.838 -6.893 244 HB3 LEU 29 1HB LEU 29 8.491 8.494 -7.395 245 HG LEU 29 HG LEU 29 9.048 8.588 -5.135 246 HD11 LEU 29 1HD1 LEU 29 7.262 10.084 -5.668 247 HD12 LEU 29 2HD1 LEU 29 7.126 9.522 -4.002 248 HD13 LEU 29 3HD1 LEU 29 6.067 8.855 -5.244 249 HD21 LEU 29 1HD2 LEU 29 7.936 7.328 -3.350 250 HD22 LEU 29 2HD2 LEU 29 8.732 6.264 -4.512 251 HD23 LEU 29 3HD2 LEU 29 6.981 6.469 -4.559 252 H TRP 30 H TRP 30 7.125 5.109 -8.516 253 HA TRP 30 HA TRP 30 6.930 6.108 -11.229 254 HB2 TRP 30 2HB TRP 30 9.171 4.342 -10.180 255 HB3 TRP 30 1HB TRP 30 8.896 4.727 -11.873 256 HD1 TRP 30 HD TRP 30 10.577 6.029 -8.781 257 HE1 TRP 30 1HE TRP 30 11.700 8.317 -9.297 258 HE3 TRP 30 3HE TRP 30 8.521 6.949 -13.349 259 HZ2 TRP 30 2HZ TRP 30 11.696 10.222 -11.355 260 HZ3 TRP 30 3HZ TRP 30 9.114 9.029 -14.526 261 HH2 TRP 30 HH TRP 30 10.671 10.629 -13.541 Start of MODEL 9 1 H1 TYR 1 1HT TYR 1 -12.806 0.669 4.034 2 H2 TYR 1 2HT TYR 1 -11.474 1.685 3.914 3 H3 TYR 1 3HT TYR 1 -11.247 0.037 4.043 4 HA TYR 1 HA TYR 1 -12.189 -0.370 1.942 5 HB2 TYR 1 2HB TYR 1 -13.874 1.404 1.929 6 HB3 TYR 1 1HB TYR 1 -12.627 2.633 1.876 7 HD1 TYR 1 1HD TYR 1 -13.897 -0.285 -0.112 8 HD2 TYR 1 2HD TYR 1 -12.090 3.570 -0.164 9 HE1 TYR 1 1HE TYR 1 -14.080 -0.234 -2.555 10 HE2 TYR 1 2HE TYR 1 -12.261 3.628 -2.595 11 HH TYR 1 HH TYR 1 -12.490 2.133 -4.471 12 H CYS 2 H CYS 2 -10.457 2.778 2.105 13 HA CYS 2 HA CYS 2 -8.427 1.555 0.440 14 HB2 CYS 2 2HB CYS 2 -9.447 3.745 -0.220 15 HB3 CYS 2 1HB CYS 2 -8.767 4.451 1.241 16 H GLN 3 H GLN 3 -6.213 1.981 0.973 17 HA GLN 3 HA GLN 3 -5.750 1.642 3.832 18 HB2 GLN 3 2HB GLN 3 -3.929 1.158 1.469 19 HB3 GLN 3 1HB GLN 3 -3.463 0.935 3.145 20 HG2 GLN 3 2HG GLN 3 -5.591 -0.595 1.668 21 HG3 GLN 3 1HG GLN 3 -3.983 -1.179 2.093 22 HE21 GLN 3 1HE2 GLN 3 -3.532 -1.687 4.251 23 HE22 GLN 3 2HE2 GLN 3 -4.797 -1.878 5.409 24 H LYS 4 H LYS 4 -4.208 2.874 4.891 25 HA LYS 4 HA LYS 4 -3.627 5.460 3.685 26 HB2 LYS 4 2HB LYS 4 -3.269 4.409 6.504 27 HB3 LYS 4 1HB LYS 4 -2.810 6.022 5.981 28 HG2 LYS 4 2HG LYS 4 -5.570 4.944 5.767 29 HG3 LYS 4 1HG LYS 4 -5.024 5.846 7.197 30 HD2 LYS 4 2HD LYS 4 -4.475 7.728 5.654 31 HD3 LYS 4 1HD LYS 4 -5.183 6.810 4.329 32 HE2 LYS 4 2HE LYS 4 -6.618 7.736 6.820 33 HE3 LYS 4 1HE LYS 4 -6.732 8.485 5.235 34 HZ1 LYS 4 1HZ LYS 4 -7.714 6.385 4.407 35 HZ2 LYS 4 2HZ LYS 4 -8.612 7.097 5.614 36 HZ3 LYS 4 3HZ LYS 4 -7.695 5.758 5.978 37 H TRP 5 H TRP 5 -1.476 6.215 3.776 38 HA TRP 5 HA TRP 5 0.473 4.425 2.774 39 HB2 TRP 5 2HB TRP 5 2.049 6.247 2.834 40 HB3 TRP 5 1HB TRP 5 0.482 6.923 2.415 41 HD1 TRP 5 HD TRP 5 -0.852 8.045 4.691 42 HE1 TRP 5 1HE TRP 5 0.174 9.563 6.504 43 HE3 TRP 5 3HE TRP 5 4.049 6.796 4.093 44 HZ2 TRP 5 2HZ TRP 5 2.732 10.134 7.551 45 HZ3 TRP 5 3HZ TRP 5 5.728 7.864 5.543 46 HH2 TRP 5 HH TRP 5 5.075 9.496 7.235 47 H MET 6 H MET 6 -0.379 5.205 5.946 48 HA MET 6 HA MET 6 2.090 4.360 7.094 49 HB2 MET 6 2HB MET 6 1.021 4.777 9.278 50 HB3 MET 6 1HB MET 6 0.895 6.150 8.190 51 HG2 MET 6 2HG MET 6 -1.412 5.497 7.673 52 HG3 MET 6 1HG MET 6 -1.274 4.160 8.808 53 HE1 MET 6 1HE MET 6 -3.694 6.656 10.609 54 HE2 MET 6 2HE MET 6 -3.481 5.015 9.998 55 HE3 MET 6 3HE MET 6 -3.577 6.369 8.872 56 H TRP 7 H TRP 7 -0.530 2.731 5.832 57 HA TRP 7 HA TRP 7 -0.388 0.569 7.789 58 HB2 TRP 7 2HB TRP 7 -2.426 1.067 5.600 59 HB3 TRP 7 1HB TRP 7 -2.431 -0.339 6.651 60 HD1 TRP 7 HD TRP 7 -1.600 1.881 9.182 61 HE1 TRP 7 1HE TRP 7 -3.592 3.059 10.278 62 HE3 TRP 7 3HE TRP 7 -5.105 0.983 5.596 63 HZ2 TRP 7 2HZ TRP 7 -6.328 3.549 9.684 64 HZ3 TRP 7 3HZ TRP 7 -7.388 1.834 5.931 65 HH2 TRP 7 HH TRP 7 -7.982 3.082 7.937 66 H THR 8 H THR 8 -0.985 -1.605 6.381 67 HA THR 8 HA THR 8 1.143 -1.812 4.381 68 HB THR 8 HB THR 8 1.772 -3.975 5.409 69 HG1 THR 8 1HG THR 8 0.543 -4.902 6.789 70 HG21 THR 8 1HG2 THR 8 1.609 -1.823 7.539 71 HG22 THR 8 2HG2 THR 8 2.871 -1.912 6.324 72 HG23 THR 8 3HG2 THR 8 2.721 -3.189 7.536 73 H CYS 9 H CYS 9 0.716 -4.262 3.187 74 HA CYS 9 HA CYS 9 -2.144 -4.737 3.380 75 HB2 CYS 9 2HB CYS 9 -2.390 -4.979 1.004 76 HB3 CYS 9 1HB CYS 9 -1.743 -3.384 1.355 77 H ASP 10 H ASP 10 -2.697 -6.830 2.176 78 HA ASP 10 HA ASP 10 -0.668 -8.837 2.099 79 HB2 ASP 10 2HB ASP 10 -1.240 -8.546 4.608 80 HB3 ASP 10 1HB ASP 10 -2.850 -9.123 4.198 81 H SER 11 H SER 11 -3.175 -10.726 2.732 82 HA SER 11 HA SER 11 -3.984 -10.798 0.002 83 HB2 SER 11 2HB SER 11 -5.344 -12.779 0.863 84 HB3 SER 11 1HB SER 11 -3.588 -12.891 1.002 85 HG SER 11 HG SER 11 -3.804 -13.035 3.052 86 H GLU 12 H GLU 12 -5.634 -10.109 3.075 87 HA GLU 12 HA GLU 12 -8.133 -9.624 1.752 88 HB2 GLU 12 2HB GLU 12 -7.287 -8.959 4.587 89 HB3 GLU 12 1HB GLU 12 -8.917 -8.812 3.960 90 HG2 GLU 12 2HG GLU 12 -7.346 -11.364 4.213 91 HG3 GLU 12 1HG GLU 12 -8.657 -10.837 5.268 92 H ARG 13 H ARG 13 -5.742 -7.584 3.324 93 HA ARG 13 HA ARG 13 -7.037 -5.210 2.275 94 HB2 ARG 13 2HB ARG 13 -4.742 -5.658 4.123 95 HB3 ARG 13 1HB ARG 13 -5.175 -4.047 3.550 96 HG2 ARG 13 2HG ARG 13 -6.995 -5.903 5.022 97 HG3 ARG 13 1HG ARG 13 -5.990 -4.684 5.825 98 HD2 ARG 13 2HD ARG 13 -8.236 -3.810 5.540 99 HD3 ARG 13 1HD ARG 13 -7.134 -2.945 4.478 100 HE ARG 13 HE ARG 13 -8.627 -5.199 3.412 101 HH11 ARG 13 1HH1 ARG 13 -8.053 -1.693 3.438 102 HH12 ARG 13 2HH1 ARG 13 -9.061 -1.373 2.114 103 HH21 ARG 13 1HH2 ARG 13 -9.954 -4.757 1.556 104 HH22 ARG 13 2HH2 ARG 13 -10.174 -3.168 1.000 105 H LYS 14 H LYS 14 -6.535 -4.541 0.365 106 HA LYS 14 HA LYS 14 -3.807 -4.940 -0.639 107 HB2 LYS 14 2HB LYS 14 -6.378 -4.331 -2.106 108 HB3 LYS 14 1HB LYS 14 -4.797 -4.306 -2.868 109 HG2 LYS 14 2HG LYS 14 -4.519 -6.684 -2.299 110 HG3 LYS 14 1HG LYS 14 -6.144 -6.688 -1.612 111 HD2 LYS 14 2HD LYS 14 -7.091 -6.119 -3.773 112 HD3 LYS 14 1HD LYS 14 -5.475 -5.996 -4.474 113 HE2 LYS 14 2HE LYS 14 -5.093 -8.358 -4.003 114 HE3 LYS 14 1HE LYS 14 -6.705 -8.490 -3.305 115 HZ1 LYS 14 1HZ LYS 14 -6.608 -9.291 -5.568 116 HZ2 LYS 14 2HZ LYS 14 -6.094 -7.792 -6.126 117 HZ3 LYS 14 3HZ LYS 14 -7.638 -7.970 -5.467 118 H CYS 15 H CYS 15 -2.585 -3.150 -1.211 119 HA CYS 15 HA CYS 15 -3.432 -0.641 -0.095 120 HB2 CYS 15 2HB CYS 15 -1.013 -1.226 -1.845 121 HB3 CYS 15 1HB CYS 15 -1.305 0.285 -0.996 122 H CYS 16 H CYS 16 -3.901 1.263 -1.237 123 HA CYS 16 HA CYS 16 -5.431 0.801 -3.577 124 HB2 CYS 16 2HB CYS 16 -4.702 3.398 -2.219 125 HB3 CYS 16 1HB CYS 16 -6.015 3.160 -3.375 126 H LYS 17 H LYS 17 -5.180 1.954 -5.575 127 HA LYS 17 HA LYS 17 -2.664 1.789 -6.776 128 HB2 LYS 17 2HB LYS 17 -4.839 1.699 -7.928 129 HB3 LYS 17 1HB LYS 17 -5.082 3.406 -7.609 130 HG2 LYS 17 2HG LYS 17 -3.101 3.919 -8.990 131 HG3 LYS 17 1HG LYS 17 -2.932 2.197 -9.339 132 HD2 LYS 17 2HD LYS 17 -5.360 3.861 -9.989 133 HD3 LYS 17 1HD LYS 17 -4.093 3.437 -11.139 134 HE2 LYS 17 2HE LYS 17 -4.611 1.099 -10.921 135 HE3 LYS 17 1HE LYS 17 -5.770 1.416 -9.633 136 HZ1 LYS 17 1HZ LYS 17 -6.861 1.049 -11.747 137 HZ2 LYS 17 2HZ LYS 17 -6.020 2.331 -12.442 138 HZ3 LYS 17 3HZ LYS 17 -7.125 2.621 -11.211 139 H GLY 18 H GLY 18 -1.087 3.328 -7.164 140 HA2 GLY 18 2HA GLY 18 -0.244 5.578 -7.062 141 HA3 GLY 18 1HA GLY 18 -1.441 5.925 -5.807 142 H MET 19 H MET 19 -0.857 3.138 -4.838 143 HA MET 19 HA MET 19 1.731 3.532 -3.564 144 HB2 MET 19 2HB MET 19 -0.838 2.462 -2.363 145 HB3 MET 19 1HB MET 19 0.736 2.170 -1.641 146 HG2 MET 19 2HG MET 19 1.051 4.552 -1.352 147 HG3 MET 19 1HG MET 19 -0.539 4.875 -2.061 148 HE1 MET 19 1HE MET 19 -2.300 2.535 -0.769 149 HE2 MET 19 2HE MET 19 -2.829 4.217 -0.827 150 HE3 MET 19 3HE MET 19 -2.892 3.325 0.690 151 H VAL 20 H VAL 20 2.584 1.408 -2.881 152 HA VAL 20 HA VAL 20 2.010 -0.617 -4.950 153 HB VAL 20 HB VAL 20 4.377 -0.616 -3.083 154 HG11 VAL 20 1HG1 VAL 20 4.004 -1.812 -5.811 155 HG12 VAL 20 2HG1 VAL 20 3.908 -2.665 -4.276 156 HG13 VAL 20 3HG1 VAL 20 5.441 -1.959 -4.797 157 HG21 VAL 20 1HG2 VAL 20 5.740 0.493 -4.783 158 HG22 VAL 20 2HG2 VAL 20 4.437 1.548 -4.225 159 HG23 VAL 20 3HG2 VAL 20 4.305 0.723 -5.780 160 H CYS 21 H CYS 21 1.273 -2.613 -4.242 161 HA CYS 21 HA CYS 21 0.693 -2.765 -1.417 162 HB2 CYS 21 2HB CYS 21 -1.030 -3.366 -3.118 163 HB3 CYS 21 1HB CYS 21 -0.015 -4.704 -3.641 164 H ARG 22 H ARG 22 2.344 -3.307 -0.276 165 HA ARG 22 HA ARG 22 3.905 -5.684 -0.940 166 HB2 ARG 22 2HB ARG 22 4.885 -2.956 -0.171 167 HB3 ARG 22 1HB ARG 22 5.861 -4.378 0.109 168 HG2 ARG 22 2HG ARG 22 5.748 -4.879 -2.253 169 HG3 ARG 22 1HG ARG 22 4.878 -3.356 -2.536 170 HD2 ARG 22 2HD ARG 22 6.790 -2.180 -1.464 171 HD3 ARG 22 1HD ARG 22 7.619 -3.738 -1.385 172 HE ARG 22 HE ARG 22 6.789 -3.125 -4.037 173 HH11 ARG 22 1HH1 ARG 22 9.450 -2.607 -1.732 174 HH12 ARG 22 2HH1 ARG 22 10.530 -2.053 -2.915 175 HH21 ARG 22 1HH2 ARG 22 8.311 -2.348 -5.646 176 HH22 ARG 22 2HH2 ARG 22 9.889 -1.924 -5.188 177 H LEU 23 H LEU 23 5.500 -5.615 1.222 178 HA LEU 23 HA LEU 23 4.075 -6.556 3.399 179 HB2 LEU 23 2HB LEU 23 6.486 -6.864 3.086 180 HB3 LEU 23 1HB LEU 23 6.761 -5.162 3.383 181 HG LEU 23 HG LEU 23 5.890 -5.511 5.706 182 HD11 LEU 23 1HD1 LEU 23 6.041 -8.417 4.937 183 HD12 LEU 23 2HD1 LEU 23 4.577 -7.513 5.328 184 HD13 LEU 23 3HD1 LEU 23 5.800 -7.791 6.567 185 HD21 LEU 23 1HD2 LEU 23 7.926 -6.576 6.518 186 HD22 LEU 23 2HD2 LEU 23 8.276 -5.432 5.222 187 HD23 LEU 23 3HD2 LEU 23 8.270 -7.166 4.894 188 H TRP 24 H TRP 24 4.776 -3.283 2.433 189 HA TRP 24 HA TRP 24 2.934 -2.370 4.435 190 HB2 TRP 24 2HB TRP 24 4.292 -0.484 5.079 191 HB3 TRP 24 1HB TRP 24 5.331 -1.892 5.192 192 HD1 TRP 24 HD TRP 24 4.933 1.369 3.490 193 HE1 TRP 24 1HE TRP 24 6.992 1.872 1.971 194 HE3 TRP 24 3HE TRP 24 7.159 -3.184 3.681 195 HZ2 TRP 24 2HZ TRP 24 9.250 0.466 1.004 196 HZ3 TRP 24 3HZ TRP 24 9.257 -3.550 2.442 197 HH2 TRP 24 HH TRP 24 10.278 -1.755 1.134 198 H CYS 25 H CYS 25 2.040 -0.086 3.620 199 HA CYS 25 HA CYS 25 1.821 -0.263 0.754 200 HB2 CYS 25 2HB CYS 25 0.579 1.642 2.759 201 HB3 CYS 25 1HB CYS 25 0.311 1.750 1.024 202 H LYS 26 H LYS 26 3.295 0.544 -0.454 203 HA LYS 26 HA LYS 26 4.998 2.654 0.598 204 HB2 LYS 26 2HB LYS 26 6.142 0.687 -0.313 205 HB3 LYS 26 1HB LYS 26 5.336 0.921 -1.859 206 HG2 LYS 26 2HG LYS 26 6.477 3.091 -2.101 207 HG3 LYS 26 1HG LYS 26 7.322 2.790 -0.584 208 HD2 LYS 26 2HD LYS 26 8.367 0.813 -1.549 209 HD3 LYS 26 1HD LYS 26 7.493 1.082 -3.061 210 HE2 LYS 26 2HE LYS 26 9.492 2.974 -1.817 211 HE3 LYS 26 1HE LYS 26 9.802 1.907 -3.182 212 HZ1 LYS 26 1HZ LYS 26 9.338 4.160 -3.894 213 HZ2 LYS 26 2HZ LYS 26 7.856 4.182 -3.168 214 HZ3 LYS 26 3HZ LYS 26 8.152 3.139 -4.477 215 H LYS 27 H LYS 27 4.605 4.670 0.003 216 HA LYS 27 HA LYS 27 2.744 5.124 -2.145 217 HB2 LYS 27 2HB LYS 27 2.923 7.533 -1.528 218 HB3 LYS 27 1HB LYS 27 2.373 6.493 -0.229 219 HG2 LYS 27 2HG LYS 27 4.630 6.550 0.740 220 HG3 LYS 27 1HG LYS 27 5.135 7.593 -0.594 221 HD2 LYS 27 2HD LYS 27 3.571 9.312 0.111 222 HD3 LYS 27 1HD LYS 27 2.951 8.267 1.389 223 HE2 LYS 27 2HE LYS 27 4.460 9.899 2.342 224 HE3 LYS 27 1HE LYS 27 5.183 8.302 2.450 225 HZ1 LYS 27 1HZ LYS 27 6.548 8.854 0.503 226 HZ2 LYS 27 2HZ LYS 27 6.789 9.918 1.768 227 HZ3 LYS 27 3HZ LYS 27 5.872 10.403 0.453 228 H LYS 28 H LYS 28 3.085 5.852 -4.018 229 HA LYS 28 HA LYS 28 5.851 5.904 -4.993 230 HB2 LYS 28 2HB LYS 28 3.247 5.955 -6.512 231 HB3 LYS 28 1HB LYS 28 4.842 5.832 -7.214 232 HG2 LYS 28 2HG LYS 28 5.104 3.615 -6.194 233 HG3 LYS 28 1HG LYS 28 3.482 3.764 -5.496 234 HD2 LYS 28 2HD LYS 28 2.527 4.016 -7.716 235 HD3 LYS 28 1HD LYS 28 4.133 3.921 -8.430 236 HE2 LYS 28 2HE LYS 28 4.349 1.634 -7.622 237 HE3 LYS 28 1HE LYS 28 2.740 1.734 -6.894 238 HZ1 LYS 28 1HZ LYS 28 1.839 2.104 -9.114 239 HZ2 LYS 28 2HZ LYS 28 2.679 0.631 -9.023 240 HZ3 LYS 28 3HZ LYS 28 3.382 1.956 -9.778 241 H LEU 29 H LEU 29 6.537 7.622 -6.322 242 HA LEU 29 HA LEU 29 4.902 10.016 -6.105 243 HB2 LEU 29 2HB LEU 29 7.006 11.294 -6.683 244 HB3 LEU 29 1HB LEU 29 7.030 10.477 -5.145 245 HG LEU 29 HG LEU 29 8.367 8.640 -6.369 246 HD11 LEU 29 1HD1 LEU 29 7.978 9.377 -8.649 247 HD12 LEU 29 2HD1 LEU 29 9.698 9.385 -8.262 248 HD13 LEU 29 3HD1 LEU 29 8.801 10.900 -8.307 249 HD21 LEU 29 1HD2 LEU 29 9.548 11.359 -5.867 250 HD22 LEU 29 2HD2 LEU 29 10.460 9.853 -5.973 251 HD23 LEU 29 3HD2 LEU 29 9.294 10.091 -4.672 252 H TRP 30 H TRP 30 6.206 7.728 -8.235 253 HA TRP 30 HA TRP 30 4.379 8.239 -10.257 254 HB2 TRP 30 2HB TRP 30 5.886 10.117 -10.894 255 HB3 TRP 30 1HB TRP 30 7.257 9.015 -10.913 256 HD1 TRP 30 HD TRP 30 7.821 7.988 -13.218 257 HE1 TRP 30 1HE TRP 30 6.626 7.782 -15.495 258 HE3 TRP 30 3HE TRP 30 3.258 9.862 -11.899 259 HZ2 TRP 30 2HZ TRP 30 4.065 8.339 -16.572 260 HZ3 TRP 30 3HZ TRP 30 1.488 9.984 -13.614 261 HH2 TRP 30 HH TRP 30 1.898 9.238 -15.895 Start of MODEL 10 1 H1 TYR 1 1HT TYR 1 -11.868 -1.020 1.886 2 H2 TYR 1 2HT TYR 1 -12.890 -0.626 3.154 3 H3 TYR 1 3HT TYR 1 -11.227 -0.446 3.333 4 HA TYR 1 HA TYR 1 -12.922 1.033 1.446 5 HB2 TYR 1 2HB TYR 1 -13.432 1.741 3.736 6 HB3 TYR 1 1HB TYR 1 -11.729 1.914 4.098 7 HD1 TYR 1 1HD TYR 1 -14.252 3.246 1.656 8 HD2 TYR 1 2HD TYR 1 -10.850 4.021 4.092 9 HE1 TYR 1 1HE TYR 1 -14.362 5.613 1.048 10 HE2 TYR 1 2HE TYR 1 -10.947 6.378 3.494 11 HH TYR 1 HH TYR 1 -13.631 7.771 1.963 12 H CYS 2 H CYS 2 -9.782 1.517 3.158 13 HA CYS 2 HA CYS 2 -8.338 1.420 0.731 14 HB2 CYS 2 2HB CYS 2 -9.523 3.679 0.559 15 HB3 CYS 2 1HB CYS 2 -8.630 4.150 2.005 16 H GLN 3 H GLN 3 -6.114 1.767 1.171 17 HA GLN 3 HA GLN 3 -5.447 1.497 4.014 18 HB2 GLN 3 2HB GLN 3 -3.907 0.477 1.623 19 HB3 GLN 3 1HB GLN 3 -3.380 0.345 3.284 20 HG2 GLN 3 2HG GLN 3 -5.765 -1.022 2.052 21 HG3 GLN 3 1HG GLN 3 -4.231 -1.770 2.478 22 HE21 GLN 3 1HE2 GLN 3 -3.729 -2.066 4.715 23 HE22 GLN 3 2HE2 GLN 3 -4.993 -2.037 5.882 24 H LYS 4 H LYS 4 -3.851 2.842 4.775 25 HA LYS 4 HA LYS 4 -3.089 5.029 3.002 26 HB2 LYS 4 2HB LYS 4 -2.789 4.720 5.995 27 HB3 LYS 4 1HB LYS 4 -2.385 6.164 5.075 28 HG2 LYS 4 2HG LYS 4 -4.726 6.442 4.454 29 HG3 LYS 4 1HG LYS 4 -5.137 4.964 5.322 30 HD2 LYS 4 2HD LYS 4 -4.414 5.970 7.418 31 HD3 LYS 4 1HD LYS 4 -3.936 7.439 6.569 32 HE2 LYS 4 2HE LYS 4 -6.743 6.327 6.707 33 HE3 LYS 4 1HE LYS 4 -6.125 7.655 7.681 34 HZ1 LYS 4 1HZ LYS 4 -5.743 8.909 5.635 35 HZ2 LYS 4 2HZ LYS 4 -7.362 8.499 5.786 36 HZ3 LYS 4 3HZ LYS 4 -6.388 7.663 4.710 37 H TRP 5 H TRP 5 -0.798 5.825 3.197 38 HA TRP 5 HA TRP 5 1.078 3.738 2.650 39 HB2 TRP 5 2HB TRP 5 2.735 5.541 2.410 40 HB3 TRP 5 1HB TRP 5 1.232 5.983 1.615 41 HD1 TRP 5 HD TRP 5 3.251 6.823 4.811 42 HE1 TRP 5 1HE TRP 5 2.544 9.132 5.642 43 HE3 TRP 5 3HE TRP 5 -0.544 7.746 1.501 44 HZ2 TRP 5 2HZ TRP 5 0.663 11.082 4.999 45 HZ3 TRP 5 3HZ TRP 5 -1.739 9.871 1.682 46 HH2 TRP 5 HH TRP 5 -1.151 11.514 3.389 47 H MET 6 H MET 6 0.020 5.145 5.430 48 HA MET 6 HA MET 6 2.372 4.574 7.047 49 HB2 MET 6 2HB MET 6 1.125 5.693 8.850 50 HB3 MET 6 1HB MET 6 1.167 6.682 7.396 51 HG2 MET 6 2HG MET 6 -1.098 5.861 6.833 52 HG3 MET 6 1HG MET 6 -1.145 5.036 8.386 53 HE1 MET 6 1HE MET 6 -1.011 8.480 6.525 54 HE2 MET 6 2HE MET 6 0.410 8.620 7.564 55 HE3 MET 6 3HE MET 6 -1.005 9.623 7.865 56 H TRP 7 H TRP 7 -0.018 2.840 5.763 57 HA TRP 7 HA TRP 7 -0.267 1.007 8.027 58 HB2 TRP 7 2HB TRP 7 -2.197 1.486 5.732 59 HB3 TRP 7 1HB TRP 7 -2.354 0.187 6.900 60 HD1 TRP 7 HD TRP 7 -1.383 2.820 9.089 61 HE1 TRP 7 1HE TRP 7 -3.393 4.136 10.022 62 HE3 TRP 7 3HE TRP 7 -4.942 1.241 5.833 63 HZ2 TRP 7 2HZ TRP 7 -6.131 4.456 9.437 64 HZ3 TRP 7 3HZ TRP 7 -7.232 2.090 6.069 65 HH2 TRP 7 HH TRP 7 -7.809 3.661 7.848 66 H THR 8 H THR 8 -1.062 -1.233 6.683 67 HA THR 8 HA THR 8 1.083 -1.661 4.770 68 HB THR 8 HB THR 8 1.504 -3.831 5.969 69 HG1 THR 8 1HG THR 8 -0.263 -4.207 7.160 70 HG21 THR 8 1HG2 THR 8 2.904 -1.812 6.472 71 HG22 THR 8 2HG2 THR 8 2.734 -2.886 7.854 72 HG23 THR 8 3HG2 THR 8 1.778 -1.407 7.764 73 H CYS 9 H CYS 9 0.596 -4.072 3.578 74 HA CYS 9 HA CYS 9 -2.311 -4.306 3.682 75 HB2 CYS 9 2HB CYS 9 -2.485 -4.605 1.315 76 HB3 CYS 9 1HB CYS 9 -1.616 -3.109 1.620 77 H ASP 10 H ASP 10 -2.859 -6.398 2.205 78 HA ASP 10 HA ASP 10 -1.218 -8.660 3.070 79 HB2 ASP 10 2HB ASP 10 -4.204 -8.375 3.633 80 HB3 ASP 10 1HB ASP 10 -3.228 -9.802 3.930 81 H SER 11 H SER 11 -3.052 -10.588 2.201 82 HA SER 11 HA SER 11 -3.218 -10.050 -0.618 83 HB2 SER 11 2HB SER 11 -4.283 -12.422 0.936 84 HB3 SER 11 1HB SER 11 -3.977 -12.345 -0.800 85 HG SER 11 HG SER 11 -1.839 -12.386 -0.462 86 H GLU 12 H GLU 12 -5.329 -10.169 2.171 87 HA GLU 12 HA GLU 12 -7.745 -9.894 0.648 88 HB2 GLU 12 2HB GLU 12 -8.844 -9.577 2.860 89 HB3 GLU 12 1HB GLU 12 -7.903 -11.050 2.749 90 HG2 GLU 12 2HG GLU 12 -6.114 -10.027 4.055 91 HG3 GLU 12 1HG GLU 12 -7.009 -8.515 4.107 92 H ARG 13 H ARG 13 -5.757 -7.731 2.576 93 HA ARG 13 HA ARG 13 -7.312 -5.428 1.653 94 HB2 ARG 13 2HB ARG 13 -5.144 -5.681 3.742 95 HB3 ARG 13 1HB ARG 13 -5.894 -4.162 3.276 96 HG2 ARG 13 2HG ARG 13 -8.032 -4.945 4.053 97 HG3 ARG 13 1HG ARG 13 -7.333 -6.519 4.439 98 HD2 ARG 13 2HD ARG 13 -6.496 -3.902 5.686 99 HD3 ARG 13 1HD ARG 13 -7.621 -5.061 6.397 100 HE ARG 13 HE ARG 13 -4.940 -6.051 5.742 101 HH11 ARG 13 1HH1 ARG 13 -7.127 -4.869 8.272 102 HH12 ARG 13 2HH1 ARG 13 -6.255 -5.634 9.520 103 HH21 ARG 13 1HH2 ARG 13 -3.832 -7.033 7.367 104 HH22 ARG 13 2HH2 ARG 13 -4.324 -6.944 9.010 105 H LYS 14 H LYS 14 -6.569 -4.517 -0.188 106 HA LYS 14 HA LYS 14 -3.690 -4.751 -0.692 107 HB2 LYS 14 2HB LYS 14 -4.136 -4.291 -3.019 108 HB3 LYS 14 1HB LYS 14 -5.173 -5.611 -2.506 109 HG2 LYS 14 2HG LYS 14 -7.071 -4.067 -2.335 110 HG3 LYS 14 1HG LYS 14 -6.020 -2.734 -2.794 111 HD2 LYS 14 2HD LYS 14 -6.615 -5.136 -4.527 112 HD3 LYS 14 1HD LYS 14 -7.409 -3.573 -4.671 113 HE2 LYS 14 2HE LYS 14 -4.440 -4.050 -5.005 114 HE3 LYS 14 1HE LYS 14 -5.587 -3.891 -6.321 115 HZ1 LYS 14 1HZ LYS 14 -6.053 -1.624 -5.574 116 HZ2 LYS 14 2HZ LYS 14 -4.413 -1.837 -5.916 117 HZ3 LYS 14 3HZ LYS 14 -4.924 -1.767 -4.330 118 H CYS 15 H CYS 15 -2.529 -2.876 -1.258 119 HA CYS 15 HA CYS 15 -3.407 -0.480 -0.029 120 HB2 CYS 15 2HB CYS 15 -1.173 -0.845 -2.046 121 HB3 CYS 15 1HB CYS 15 -1.376 0.517 -0.949 122 H CYS 16 H CYS 16 -3.853 1.545 -1.151 123 HA CYS 16 HA CYS 16 -5.696 1.044 -3.260 124 HB2 CYS 16 2HB CYS 16 -4.891 3.601 -1.876 125 HB3 CYS 16 1HB CYS 16 -6.235 3.445 -3.012 126 H LYS 17 H LYS 17 -5.779 2.396 -5.230 127 HA LYS 17 HA LYS 17 -3.502 1.964 -6.785 128 HB2 LYS 17 2HB LYS 17 -5.809 2.115 -7.657 129 HB3 LYS 17 1HB LYS 17 -5.826 3.833 -7.303 130 HG2 LYS 17 2HG LYS 17 -4.131 4.251 -8.949 131 HG3 LYS 17 1HG LYS 17 -3.926 2.525 -9.232 132 HD2 LYS 17 2HD LYS 17 -6.458 4.094 -9.764 133 HD3 LYS 17 1HD LYS 17 -5.286 3.622 -10.990 134 HE2 LYS 17 2HE LYS 17 -6.922 1.726 -9.277 135 HE3 LYS 17 1HE LYS 17 -7.223 2.121 -10.962 136 HZ1 LYS 17 1HZ LYS 17 -5.112 1.119 -11.556 137 HZ2 LYS 17 2HZ LYS 17 -6.042 0.006 -10.716 138 HZ3 LYS 17 3HZ LYS 17 -4.768 0.778 -9.949 139 H GLY 18 H GLY 18 -1.706 3.050 -6.971 140 HA2 GLY 18 2HA GLY 18 -0.503 5.145 -7.179 141 HA3 GLY 18 1HA GLY 18 -1.608 5.828 -5.986 142 H MET 19 H MET 19 -0.947 2.696 -5.177 143 HA MET 19 HA MET 19 1.492 3.229 -3.644 144 HB2 MET 19 2HB MET 19 -1.070 1.981 -2.614 145 HB3 MET 19 1HB MET 19 0.462 1.944 -1.761 146 HG2 MET 19 2HG MET 19 0.418 4.237 -1.404 147 HG3 MET 19 1HG MET 19 -0.977 4.488 -2.480 148 HE1 MET 19 1HE MET 19 -2.554 5.344 0.939 149 HE2 MET 19 2HE MET 19 -2.363 5.809 -0.750 150 HE3 MET 19 3HE MET 19 -0.964 5.791 0.323 151 H VAL 20 H VAL 20 2.553 1.221 -3.146 152 HA VAL 20 HA VAL 20 1.630 -0.962 -4.852 153 HB VAL 20 HB VAL 20 3.907 -0.182 -5.426 154 HG11 VAL 20 1HG1 VAL 20 4.646 0.685 -3.327 155 HG12 VAL 20 2HG1 VAL 20 5.804 -0.515 -3.911 156 HG13 VAL 20 3HG1 VAL 20 4.672 -0.931 -2.621 157 HG21 VAL 20 1HG2 VAL 20 3.426 -2.508 -5.827 158 HG22 VAL 20 2HG2 VAL 20 3.879 -2.918 -4.175 159 HG23 VAL 20 3HG2 VAL 20 5.104 -2.339 -5.303 160 H CYS 21 H CYS 21 1.215 -2.922 -4.008 161 HA CYS 21 HA CYS 21 0.700 -2.890 -1.161 162 HB2 CYS 21 2HB CYS 21 -1.074 -3.521 -2.789 163 HB3 CYS 21 1HB CYS 21 -0.102 -4.910 -3.250 164 H ARG 22 H ARG 22 2.307 -3.480 0.048 165 HA ARG 22 HA ARG 22 3.576 -6.051 -0.385 166 HB2 ARG 22 2HB ARG 22 4.998 -3.419 -0.112 167 HB3 ARG 22 1HB ARG 22 5.784 -4.949 0.250 168 HG2 ARG 22 2HG ARG 22 5.388 -5.738 -1.907 169 HG3 ARG 22 1HG ARG 22 4.509 -4.268 -2.365 170 HD2 ARG 22 2HD ARG 22 6.580 -3.011 -1.850 171 HD3 ARG 22 1HD ARG 22 7.380 -4.574 -1.607 172 HE ARG 22 HE ARG 22 6.103 -4.561 -4.091 173 HH11 ARG 22 1HH1 ARG 22 8.972 -3.196 -2.511 174 HH12 ARG 22 2HH1 ARG 22 9.813 -2.938 -3.958 175 HH21 ARG 22 1HH2 ARG 22 7.277 -4.218 -6.081 176 HH22 ARG 22 2HH2 ARG 22 8.841 -3.559 -6.036 177 H LEU 23 H LEU 23 5.434 -5.696 1.679 178 HA LEU 23 HA LEU 23 4.237 -6.412 4.023 179 HB2 LEU 23 2HB LEU 23 6.669 -6.475 3.675 180 HB3 LEU 23 1HB LEU 23 6.727 -4.728 3.725 181 HG LEU 23 HG LEU 23 6.050 -4.774 6.091 182 HD11 LEU 23 1HD1 LEU 23 6.071 -6.895 7.318 183 HD12 LEU 23 2HD1 LEU 23 6.223 -7.762 5.788 184 HD13 LEU 23 3HD1 LEU 23 4.773 -6.821 6.129 185 HD21 LEU 23 1HD2 LEU 23 8.150 -5.670 6.975 186 HD22 LEU 23 2HD2 LEU 23 8.408 -4.723 5.511 187 HD23 LEU 23 3HD2 LEU 23 8.441 -6.484 5.437 188 H TRP 24 H TRP 24 4.971 -3.141 2.913 189 HA TRP 24 HA TRP 24 2.806 -2.300 4.584 190 HB2 TRP 24 2HB TRP 24 3.897 -0.201 5.204 191 HB3 TRP 24 1HB TRP 24 4.896 -1.549 5.707 192 HD1 TRP 24 HD TRP 24 4.764 1.331 3.269 193 HE1 TRP 24 1HE TRP 24 7.182 1.834 2.418 194 HE3 TRP 24 3HE TRP 24 7.154 -2.671 5.300 195 HZ2 TRP 24 2HZ TRP 24 9.737 0.638 2.612 196 HZ3 TRP 24 3HZ TRP 24 9.575 -2.927 4.936 197 HH2 TRP 24 HH TRP 24 10.828 -1.306 3.622 198 H CYS 25 H CYS 25 1.948 -0.090 3.732 199 HA CYS 25 HA CYS 25 1.789 -0.357 0.872 200 HB2 CYS 25 2HB CYS 25 0.340 1.409 2.841 201 HB3 CYS 25 1HB CYS 25 0.149 1.573 1.096 202 H LYS 26 H LYS 26 3.151 0.550 -0.370 203 HA LYS 26 HA LYS 26 4.532 2.898 0.637 204 HB2 LYS 26 2HB LYS 26 5.993 0.989 0.206 205 HB3 LYS 26 1HB LYS 26 5.422 0.895 -1.447 206 HG2 LYS 26 2HG LYS 26 6.483 2.933 -2.019 207 HG3 LYS 26 1HG LYS 26 6.830 3.299 -0.329 208 HD2 LYS 26 2HD LYS 26 8.250 1.275 -0.232 209 HD3 LYS 26 1HD LYS 26 7.968 1.029 -1.956 210 HE2 LYS 26 2HE LYS 26 9.050 3.154 -2.449 211 HE3 LYS 26 1HE LYS 26 9.233 3.477 -0.731 212 HZ1 LYS 26 1HZ LYS 26 10.489 1.220 -2.192 213 HZ2 LYS 26 2HZ LYS 26 10.643 1.533 -0.558 214 HZ3 LYS 26 3HZ LYS 26 11.290 2.616 -1.667 215 H LYS 27 H LYS 27 4.119 4.683 -0.254 216 HA LYS 27 HA LYS 27 2.076 4.834 -2.262 217 HB2 LYS 27 2HB LYS 27 2.220 7.279 -1.898 218 HB3 LYS 27 1HB LYS 27 1.915 6.350 -0.434 219 HG2 LYS 27 2HG LYS 27 4.315 6.525 0.117 220 HG3 LYS 27 1HG LYS 27 4.534 7.558 -1.295 221 HD2 LYS 27 2HD LYS 27 3.032 9.200 -0.350 222 HD3 LYS 27 1HD LYS 27 2.687 8.136 1.017 223 HE2 LYS 27 2HE LYS 27 5.384 9.282 0.320 224 HE3 LYS 27 1HE LYS 27 4.320 9.878 1.596 225 HZ1 LYS 27 1HZ LYS 27 6.058 8.445 2.441 226 HZ2 LYS 27 2HZ LYS 27 5.583 7.171 1.498 227 HZ3 LYS 27 3HZ LYS 27 4.567 7.742 2.732 228 H LYS 28 H LYS 28 2.221 6.545 -3.917 229 HA LYS 28 HA LYS 28 4.206 5.864 -5.768 230 HB2 LYS 28 2HB LYS 28 2.074 6.346 -6.630 231 HB3 LYS 28 1HB LYS 28 1.968 7.861 -5.759 232 HG2 LYS 28 2HG LYS 28 3.664 8.836 -7.219 233 HG3 LYS 28 1HG LYS 28 3.815 7.306 -8.082 234 HD2 LYS 28 2HD LYS 28 1.169 8.697 -7.836 235 HD3 LYS 28 1HD LYS 28 2.330 9.156 -9.080 236 HE2 LYS 28 2HE LYS 28 1.376 6.325 -8.691 237 HE3 LYS 28 1HE LYS 28 0.554 7.475 -9.741 238 HZ1 LYS 28 1HZ LYS 28 2.485 7.660 -11.094 239 HZ2 LYS 28 2HZ LYS 28 2.213 6.006 -10.902 240 HZ3 LYS 28 3HZ LYS 28 3.436 6.775 -10.048 241 H LEU 29 H LEU 29 6.183 6.391 -5.088 242 HA LEU 29 HA LEU 29 6.810 9.251 -5.024 243 HB2 LEU 29 2HB LEU 29 8.566 6.839 -4.434 244 HB3 LEU 29 1HB LEU 29 9.168 8.474 -4.509 245 HG LEU 29 HG LEU 29 9.032 8.007 -2.253 246 HD11 LEU 29 1HD1 LEU 29 7.332 9.449 -1.311 247 HD12 LEU 29 2HD1 LEU 29 6.510 9.493 -2.868 248 HD13 LEU 29 3HD1 LEU 29 8.132 10.167 -2.711 249 HD21 LEU 29 1HD2 LEU 29 7.762 5.952 -2.302 250 HD22 LEU 29 2HD2 LEU 29 6.286 6.842 -2.668 251 HD23 LEU 29 3HD2 LEU 29 7.074 7.051 -1.104 252 H TRP 30 H TRP 30 6.099 7.119 -7.167 253 HA TRP 30 HA TRP 30 8.105 7.915 -9.166 254 HB2 TRP 30 2HB TRP 30 6.528 5.330 -9.182 255 HB3 TRP 30 1HB TRP 30 7.844 5.780 -10.245 256 HD1 TRP 30 HD TRP 30 10.335 5.420 -9.305 257 HE1 TRP 30 1HE TRP 30 11.231 3.969 -7.373 258 HE3 TRP 30 3HE TRP 30 5.944 4.555 -6.844 259 HZ2 TRP 30 2HZ TRP 30 10.201 2.640 -5.102 260 HZ3 TRP 30 3HZ TRP 30 5.980 3.190 -4.802 261 HH2 TRP 30 HH TRP 30 8.056 2.248 -3.959 Start of MODEL 11 1 H1 TYR 1 1HT TYR 1 -12.195 -0.970 2.169 2 H2 TYR 1 2HT TYR 1 -12.843 -0.082 3.471 3 H3 TYR 1 3HT TYR 1 -11.392 -0.949 3.629 4 HA TYR 1 HA TYR 1 -11.679 1.305 1.777 5 HB2 TYR 1 2HB TYR 1 -10.261 1.176 4.464 6 HB3 TYR 1 1HB TYR 1 -10.236 2.527 3.354 7 HD1 TYR 1 1HD TYR 1 -12.063 0.833 5.972 8 HD2 TYR 1 2HD TYR 1 -12.287 3.875 3.011 9 HE1 TYR 1 1HE TYR 1 -14.021 1.761 7.083 10 HE2 TYR 1 2HE TYR 1 -14.246 4.816 4.116 11 HH TYR 1 HH TYR 1 -15.199 3.823 7.226 12 H CYS 2 H CYS 2 -9.435 1.996 1.216 13 HA CYS 2 HA CYS 2 -7.829 -0.385 0.849 14 HB2 CYS 2 2HB CYS 2 -6.542 0.986 -0.768 15 HB3 CYS 2 1HB CYS 2 -8.244 0.886 -1.190 16 H GLN 3 H GLN 3 -5.594 -0.294 1.360 17 HA GLN 3 HA GLN 3 -5.176 1.035 3.857 18 HB2 GLN 3 2HB GLN 3 -3.307 -0.754 2.283 19 HB3 GLN 3 1HB GLN 3 -3.094 -0.220 3.934 20 HG2 GLN 3 2HG GLN 3 -5.469 -1.776 3.037 21 HG3 GLN 3 1HG GLN 3 -4.009 -2.538 3.654 22 HE21 GLN 3 1HE2 GLN 3 -3.480 -2.187 5.825 23 HE22 GLN 3 2HE2 GLN 3 -4.647 -1.679 6.994 24 H LYS 4 H LYS 4 -4.088 2.823 4.154 25 HA LYS 4 HA LYS 4 -3.104 4.265 1.864 26 HB2 LYS 4 2HB LYS 4 -3.188 5.063 4.784 27 HB3 LYS 4 1HB LYS 4 -2.931 6.137 3.410 28 HG2 LYS 4 2HG LYS 4 -5.161 5.685 2.588 29 HG3 LYS 4 1HG LYS 4 -5.430 4.532 3.888 30 HD2 LYS 4 2HD LYS 4 -5.165 6.390 5.516 31 HD3 LYS 4 1HD LYS 4 -5.048 7.518 4.157 32 HE2 LYS 4 2HE LYS 4 -7.250 6.775 3.379 33 HE3 LYS 4 1HE LYS 4 -7.364 5.682 4.753 34 HZ1 LYS 4 1HZ LYS 4 -8.603 7.622 5.172 35 HZ2 LYS 4 2HZ LYS 4 -7.341 8.646 4.804 36 HZ3 LYS 4 3HZ LYS 4 -7.274 7.692 6.206 37 H TRP 5 H TRP 5 -0.956 5.484 2.233 38 HA TRP 5 HA TRP 5 1.113 3.565 2.215 39 HB2 TRP 5 2HB TRP 5 2.664 5.371 1.950 40 HB3 TRP 5 1HB TRP 5 1.225 5.743 1.010 41 HD1 TRP 5 HD TRP 5 -0.471 7.569 2.209 42 HE1 TRP 5 1HE TRP 5 0.115 9.675 3.576 43 HE3 TRP 5 3HE TRP 5 4.269 6.349 3.595 44 HZ2 TRP 5 2HZ TRP 5 2.273 10.663 5.062 45 HZ3 TRP 5 3HZ TRP 5 5.522 7.917 5.011 46 HH2 TRP 5 HH TRP 5 4.540 10.027 5.727 47 H MET 6 H MET 6 -0.230 5.387 4.761 48 HA MET 6 HA MET 6 1.947 5.354 6.452 49 HB2 MET 6 2HB MET 6 0.130 6.876 6.779 50 HB3 MET 6 1HB MET 6 -0.992 5.553 7.062 51 HG2 MET 6 2HG MET 6 -0.482 6.586 9.116 52 HG3 MET 6 1HG MET 6 0.256 4.993 9.101 53 HE1 MET 6 1HE MET 6 1.706 5.767 11.225 54 HE2 MET 6 2HE MET 6 1.049 7.403 11.148 55 HE3 MET 6 3HE MET 6 2.792 7.156 11.214 56 H TRP 7 H TRP 7 -0.500 3.126 5.623 57 HA TRP 7 HA TRP 7 -0.072 1.355 7.904 58 HB2 TRP 7 2HB TRP 7 -2.235 1.328 5.790 59 HB3 TRP 7 1HB TRP 7 -2.176 0.264 7.181 60 HD1 TRP 7 HD TRP 7 -1.299 2.804 9.186 61 HE1 TRP 7 1HE TRP 7 -3.183 4.385 9.945 62 HE3 TRP 7 3HE TRP 7 -4.767 1.675 5.637 63 HZ2 TRP 7 2HZ TRP 7 -5.804 5.055 9.141 64 HZ3 TRP 7 3HZ TRP 7 -6.945 2.825 5.690 65 HH2 TRP 7 HH TRP 7 -7.449 4.478 7.417 66 H THR 8 H THR 8 -0.829 -1.041 6.796 67 HA THR 8 HA THR 8 1.250 -1.589 4.801 68 HB THR 8 HB THR 8 1.621 -3.780 5.983 69 HG1 THR 8 1HG THR 8 -0.156 -2.623 7.869 70 HG21 THR 8 1HG2 THR 8 3.055 -1.855 6.623 71 HG22 THR 8 2HG2 THR 8 2.743 -2.920 7.995 72 HG23 THR 8 3HG2 THR 8 1.856 -1.405 7.835 73 H CYS 9 H CYS 9 0.569 -3.858 3.537 74 HA CYS 9 HA CYS 9 -2.309 -4.125 3.837 75 HB2 CYS 9 2HB CYS 9 -2.585 -4.156 1.389 76 HB3 CYS 9 1HB CYS 9 -2.049 -2.598 2.011 77 H ASP 10 H ASP 10 -2.992 -6.002 2.158 78 HA ASP 10 HA ASP 10 -1.107 -8.199 2.456 79 HB2 ASP 10 2HB ASP 10 -3.938 -8.250 3.565 80 HB3 ASP 10 1HB ASP 10 -2.879 -9.642 3.453 81 H SER 11 H SER 11 -2.641 -10.243 1.568 82 HA SER 11 HA SER 11 -3.420 -9.477 -1.075 83 HB2 SER 11 2HB SER 11 -4.065 -11.909 -1.219 84 HB3 SER 11 1HB SER 11 -2.395 -11.651 -0.712 85 HG SER 11 HG SER 11 -4.628 -12.477 0.816 86 H GLU 12 H GLU 12 -4.862 -9.848 1.955 87 HA GLU 12 HA GLU 12 -7.586 -10.054 0.966 88 HB2 GLU 12 2HB GLU 12 -6.699 -9.679 3.817 89 HB3 GLU 12 1HB GLU 12 -8.211 -10.363 3.241 90 HG2 GLU 12 2HG GLU 12 -5.473 -11.614 3.060 91 HG3 GLU 12 1HG GLU 12 -6.810 -12.125 4.085 92 H ARG 13 H ARG 13 -5.591 -7.798 2.898 93 HA ARG 13 HA ARG 13 -7.569 -5.739 2.673 94 HB2 ARG 13 2HB ARG 13 -4.804 -5.695 3.841 95 HB3 ARG 13 1HB ARG 13 -6.062 -4.505 4.106 96 HG2 ARG 13 2HG ARG 13 -7.389 -6.567 5.035 97 HG3 ARG 13 1HG ARG 13 -5.770 -7.251 5.223 98 HD2 ARG 13 2HD ARG 13 -6.445 -6.103 7.252 99 HD3 ARG 13 1HD ARG 13 -5.106 -5.243 6.475 100 HE ARG 13 HE ARG 13 -7.257 -4.174 5.354 101 HH11 ARG 13 1HH1 ARG 13 -6.217 -4.448 8.731 102 HH12 ARG 13 2HH1 ARG 13 -7.086 -3.082 9.253 103 HH21 ARG 13 1HH2 ARG 13 -8.450 -2.354 6.070 104 HH22 ARG 13 2HH2 ARG 13 -8.430 -1.887 7.718 105 H LYS 14 H LYS 14 -7.596 -4.612 0.804 106 HA LYS 14 HA LYS 14 -5.259 -4.571 -0.882 107 HB2 LYS 14 2HB LYS 14 -6.623 -3.334 -2.507 108 HB3 LYS 14 1HB LYS 14 -7.436 -4.790 -1.960 109 HG2 LYS 14 2HG LYS 14 -8.935 -3.521 -0.586 110 HG3 LYS 14 1HG LYS 14 -8.019 -2.042 -0.869 111 HD2 LYS 14 2HD LYS 14 -10.066 -2.089 -2.222 112 HD3 LYS 14 1HD LYS 14 -8.628 -2.105 -3.239 113 HE2 LYS 14 2HE LYS 14 -8.862 -4.509 -3.551 114 HE3 LYS 14 1HE LYS 14 -10.266 -4.526 -2.488 115 HZ1 LYS 14 1HZ LYS 14 -11.410 -3.088 -4.082 116 HZ2 LYS 14 2HZ LYS 14 -10.942 -4.540 -4.769 117 HZ3 LYS 14 3HZ LYS 14 -10.081 -3.140 -5.119 118 H CYS 15 H CYS 15 -3.989 -2.910 -1.320 119 HA CYS 15 HA CYS 15 -3.986 -0.661 0.502 120 HB2 CYS 15 2HB CYS 15 -1.922 -2.006 -0.141 121 HB3 CYS 15 1HB CYS 15 -2.089 -1.318 -1.747 122 H CYS 16 H CYS 16 -3.764 1.525 -0.372 123 HA CYS 16 HA CYS 16 -5.676 2.033 -2.397 124 HB2 CYS 16 2HB CYS 16 -3.675 3.886 -1.094 125 HB3 CYS 16 1HB CYS 16 -5.008 4.389 -2.123 126 H LYS 17 H LYS 17 -5.413 2.626 -4.449 127 HA LYS 17 HA LYS 17 -2.989 1.710 -5.628 128 HB2 LYS 17 2HB LYS 17 -5.507 2.798 -6.878 129 HB3 LYS 17 1HB LYS 17 -4.176 2.060 -7.768 130 HG2 LYS 17 2HG LYS 17 -4.500 -0.030 -6.541 131 HG3 LYS 17 1HG LYS 17 -5.823 0.700 -5.644 132 HD2 LYS 17 2HD LYS 17 -6.702 -0.695 -7.387 133 HD3 LYS 17 1HD LYS 17 -7.044 0.989 -7.768 134 HE2 LYS 17 2HE LYS 17 -5.251 1.047 -9.373 135 HE3 LYS 17 1HE LYS 17 -4.724 -0.568 -8.899 136 HZ1 LYS 17 1HZ LYS 17 -6.704 -1.494 -9.761 137 HZ2 LYS 17 2HZ LYS 17 -6.092 -0.466 -10.976 138 HZ3 LYS 17 3HZ LYS 17 -7.396 0.009 -10.018 139 H GLY 18 H GLY 18 -1.510 2.856 -6.670 140 HA2 GLY 18 2HA GLY 18 -0.569 4.985 -7.325 141 HA3 GLY 18 1HA GLY 18 -1.524 5.728 -6.032 142 H MET 19 H MET 19 -0.992 3.184 -4.456 143 HA MET 19 HA MET 19 1.784 3.704 -3.676 144 HB2 MET 19 2HB MET 19 -0.497 2.439 -2.127 145 HB3 MET 19 1HB MET 19 1.172 2.357 -1.611 146 HG2 MET 19 2HG MET 19 0.272 4.019 -0.331 147 HG3 MET 19 1HG MET 19 1.112 4.882 -1.596 148 HE1 MET 19 1HE MET 19 -0.257 7.099 -0.872 149 HE2 MET 19 2HE MET 19 -1.169 6.173 0.320 150 HE3 MET 19 3HE MET 19 -2.018 7.184 -0.849 151 H VAL 20 H VAL 20 2.789 1.616 -2.845 152 HA VAL 20 HA VAL 20 2.152 -0.551 -4.746 153 HB VAL 20 HB VAL 20 4.663 -0.307 -3.070 154 HG11 VAL 20 1HG1 VAL 20 4.223 -2.528 -3.863 155 HG12 VAL 20 2HG1 VAL 20 5.635 -1.858 -4.677 156 HG13 VAL 20 3HG1 VAL 20 4.090 -1.942 -5.521 157 HG21 VAL 20 1HG2 VAL 20 5.833 0.561 -5.028 158 HG22 VAL 20 2HG2 VAL 20 4.543 1.657 -4.527 159 HG23 VAL 20 3HG2 VAL 20 4.317 0.600 -5.922 160 H CYS 21 H CYS 21 1.172 -2.282 -3.890 161 HA CYS 21 HA CYS 21 0.872 -2.421 -1.033 162 HB2 CYS 21 2HB CYS 21 -1.026 -2.878 -2.635 163 HB3 CYS 21 1HB CYS 21 -0.181 -4.347 -3.103 164 H ARG 22 H ARG 22 2.163 -3.477 0.213 165 HA ARG 22 HA ARG 22 3.334 -6.009 -0.497 166 HB2 ARG 22 2HB ARG 22 4.912 -3.510 0.034 167 HB3 ARG 22 1HB ARG 22 5.600 -5.039 0.482 168 HG2 ARG 22 2HG ARG 22 4.872 -4.124 -2.279 169 HG3 ARG 22 1HG ARG 22 6.459 -4.296 -1.481 170 HD2 ARG 22 2HD ARG 22 6.093 -6.175 -3.024 171 HD3 ARG 22 1HD ARG 22 6.178 -6.702 -1.351 172 HE ARG 22 HE ARG 22 3.522 -6.247 -2.400 173 HH11 ARG 22 1HH1 ARG 22 6.074 -8.649 -1.792 174 HH12 ARG 22 2HH1 ARG 22 5.011 -9.983 -1.858 175 HH21 ARG 22 1HH2 ARG 22 2.097 -8.136 -2.513 176 HH22 ARG 22 2HH2 ARG 22 2.750 -9.694 -2.319 177 H LEU 23 H LEU 23 5.101 -5.978 1.629 178 HA LEU 23 HA LEU 23 3.550 -6.679 3.862 179 HB2 LEU 23 2HB LEU 23 5.881 -7.413 3.503 180 HB3 LEU 23 1HB LEU 23 6.447 -5.785 3.794 181 HG LEU 23 HG LEU 23 5.642 -5.970 6.132 182 HD11 LEU 23 1HD1 LEU 23 5.093 -8.839 5.394 183 HD12 LEU 23 2HD1 LEU 23 3.894 -7.623 5.844 184 HD13 LEU 23 3HD1 LEU 23 5.076 -8.177 7.027 185 HD21 LEU 23 1HD2 LEU 23 7.563 -8.118 5.251 186 HD22 LEU 23 2HD2 LEU 23 7.416 -7.469 6.886 187 HD23 LEU 23 3HD2 LEU 23 7.963 -6.432 5.570 188 H TRP 24 H TRP 24 4.556 -3.613 2.709 189 HA TRP 24 HA TRP 24 2.972 -2.373 4.734 190 HB2 TRP 24 2HB TRP 24 4.550 -0.643 5.239 191 HB3 TRP 24 1HB TRP 24 5.479 -2.129 5.333 192 HD1 TRP 24 HD TRP 24 5.335 1.156 3.682 193 HE1 TRP 24 1HE TRP 24 7.273 1.428 1.963 194 HE3 TRP 24 3HE TRP 24 6.936 -3.665 3.532 195 HZ2 TRP 24 2HZ TRP 24 9.197 -0.220 0.726 196 HZ3 TRP 24 3HZ TRP 24 8.821 -4.249 2.053 197 HH2 TRP 24 HH TRP 24 9.920 -2.557 0.685 198 H CYS 25 H CYS 25 2.224 -0.176 3.792 199 HA CYS 25 HA CYS 25 2.074 -0.417 0.921 200 HB2 CYS 25 2HB CYS 25 0.691 1.342 2.925 201 HB3 CYS 25 1HB CYS 25 0.664 1.727 1.208 202 H LYS 26 H LYS 26 3.421 0.507 -0.333 203 HA LYS 26 HA LYS 26 5.314 2.400 0.812 204 HB2 LYS 26 2HB LYS 26 6.243 0.508 -0.454 205 HB3 LYS 26 1HB LYS 26 5.310 1.009 -1.861 206 HG2 LYS 26 2HG LYS 26 6.548 3.160 -1.853 207 HG3 LYS 26 1HG LYS 26 7.565 2.513 -0.570 208 HD2 LYS 26 2HD LYS 26 8.325 0.738 -2.029 209 HD3 LYS 26 1HD LYS 26 7.245 1.302 -3.310 210 HE2 LYS 26 2HE LYS 26 8.419 3.446 -3.348 211 HE3 LYS 26 1HE LYS 26 9.511 2.876 -2.093 212 HZ1 LYS 26 1HZ LYS 26 9.234 1.802 -4.838 213 HZ2 LYS 26 2HZ LYS 26 10.199 1.103 -3.652 214 HZ3 LYS 26 3HZ LYS 26 10.553 2.645 -4.217 215 H LYS 27 H LYS 27 4.979 4.471 0.558 216 HA LYS 27 HA LYS 27 3.063 5.561 -1.222 217 HB2 LYS 27 2HB LYS 27 3.954 7.740 -0.590 218 HB3 LYS 27 1HB LYS 27 3.744 6.744 0.831 219 HG2 LYS 27 2HG LYS 27 6.163 6.252 0.814 220 HG3 LYS 27 1HG LYS 27 6.342 7.298 -0.590 221 HD2 LYS 27 2HD LYS 27 5.390 8.151 2.152 222 HD3 LYS 27 1HD LYS 27 6.993 8.428 1.485 223 HE2 LYS 27 2HE LYS 27 4.404 9.563 0.412 224 HE3 LYS 27 1HE LYS 27 5.595 10.429 1.369 225 HZ1 LYS 27 1HZ LYS 27 5.982 9.360 -1.382 226 HZ2 LYS 27 2HZ LYS 27 7.211 10.015 -0.448 227 HZ3 LYS 27 3HZ LYS 27 5.916 10.975 -0.909 228 H LYS 28 H LYS 28 3.398 6.709 -3.079 229 HA LYS 28 HA LYS 28 4.196 7.192 -5.111 230 HB2 LYS 28 2HB LYS 28 6.021 8.311 -3.830 231 HB3 LYS 28 1HB LYS 28 6.938 6.822 -3.874 232 HG2 LYS 28 2HG LYS 28 7.251 7.019 -6.240 233 HG3 LYS 28 1HG LYS 28 6.138 8.395 -6.305 234 HD2 LYS 28 2HD LYS 28 7.626 9.670 -4.832 235 HD3 LYS 28 1HD LYS 28 8.748 8.315 -4.792 236 HE2 LYS 28 2HE LYS 28 7.927 9.758 -7.301 237 HE3 LYS 28 1HE LYS 28 9.353 10.169 -6.362 238 HZ1 LYS 28 1HZ LYS 28 10.231 7.985 -6.780 239 HZ2 LYS 28 2HZ LYS 28 9.836 8.741 -8.244 240 HZ3 LYS 28 3HZ LYS 28 8.857 7.525 -7.644 241 H LEU 29 H LEU 29 3.414 5.668 -6.279 242 HA LEU 29 HA LEU 29 3.772 2.958 -6.246 243 HB2 LEU 29 2HB LEU 29 1.952 4.131 -7.374 244 HB3 LEU 29 1HB LEU 29 3.062 4.709 -8.593 245 HG LEU 29 HG LEU 29 3.400 2.377 -9.355 246 HD11 LEU 29 1HD1 LEU 29 1.230 1.731 -7.362 247 HD12 LEU 29 2HD1 LEU 29 2.909 1.195 -7.288 248 HD13 LEU 29 3HD1 LEU 29 1.861 0.633 -8.588 249 HD21 LEU 29 1HD2 LEU 29 0.536 3.301 -9.264 250 HD22 LEU 29 2HD2 LEU 29 1.203 2.126 -10.398 251 HD23 LEU 29 3HD2 LEU 29 1.757 3.800 -10.433 252 H TRP 30 H TRP 30 5.572 5.302 -8.201 253 HA TRP 30 HA TRP 30 7.814 3.561 -8.322 254 HB2 TRP 30 2HB TRP 30 6.290 2.706 -10.181 255 HB3 TRP 30 1HB TRP 30 6.497 4.271 -10.952 256 HD1 TRP 30 HD TRP 30 8.817 4.717 -12.195 257 HE1 TRP 30 1HE TRP 30 10.702 3.163 -12.946 258 HE3 TRP 30 3HE TRP 30 7.605 0.619 -9.417 259 HZ2 TRP 30 2HZ TRP 30 11.579 0.508 -12.410 260 HZ3 TRP 30 3HZ TRP 30 9.024 -1.386 -9.596 261 HH2 TRP 30 HH TRP 30 10.962 -1.429 -11.068 Start of MODEL 12 1 H1 TYR 1 1HT TYR 1 -12.591 0.842 1.826 2 H2 TYR 1 2HT TYR 1 -13.244 1.520 3.220 3 H3 TYR 1 3HT TYR 1 -12.216 0.163 3.308 4 HA TYR 1 HA TYR 1 -11.412 2.826 2.337 5 HB2 TYR 1 2HB TYR 1 -10.719 1.370 4.904 6 HB3 TYR 1 1HB TYR 1 -9.980 2.864 4.372 7 HD1 TYR 1 1HD TYR 1 -13.050 1.340 5.727 8 HD2 TYR 1 2HD TYR 1 -11.110 4.978 4.664 9 HE1 TYR 1 1HE TYR 1 -14.751 2.595 6.943 10 HE2 TYR 1 2HE TYR 1 -12.813 6.246 5.878 11 HH TYR 1 HH TYR 1 -14.999 4.786 8.024 12 H CYS 2 H CYS 2 -9.260 2.894 1.668 13 HA CYS 2 HA CYS 2 -8.127 0.291 1.008 14 HB2 CYS 2 2HB CYS 2 -6.614 1.659 -0.444 15 HB3 CYS 2 1HB CYS 2 -8.316 1.779 -0.870 16 H GLN 3 H GLN 3 -5.690 0.157 1.289 17 HA GLN 3 HA GLN 3 -5.113 1.091 3.917 18 HB2 GLN 3 2HB GLN 3 -3.377 -0.508 2.045 19 HB3 GLN 3 1HB GLN 3 -3.065 -0.214 3.739 20 HG2 GLN 3 2HG GLN 3 -5.412 -1.730 2.649 21 HG3 GLN 3 1HG GLN 3 -3.971 -2.445 3.363 22 HE21 GLN 3 1HE2 GLN 3 -3.652 -2.221 5.583 23 HE22 GLN 3 2HE2 GLN 3 -4.963 -1.826 6.649 24 H LYS 4 H LYS 4 -4.177 2.958 4.316 25 HA LYS 4 HA LYS 4 -3.127 4.586 2.233 26 HB2 LYS 4 2HB LYS 4 -3.130 4.960 5.226 27 HB3 LYS 4 1HB LYS 4 -2.450 6.130 4.112 28 HG2 LYS 4 2HG LYS 4 -4.718 6.287 3.058 29 HG3 LYS 4 1HG LYS 4 -5.320 5.293 4.395 30 HD2 LYS 4 2HD LYS 4 -4.564 6.941 6.003 31 HD3 LYS 4 1HD LYS 4 -3.849 7.911 4.720 32 HE2 LYS 4 2HE LYS 4 -5.947 8.893 5.373 33 HE3 LYS 4 1HE LYS 4 -6.099 8.219 3.759 34 HZ1 LYS 4 1HZ LYS 4 -7.186 6.286 4.729 35 HZ2 LYS 4 2HZ LYS 4 -8.021 7.700 5.061 36 HZ3 LYS 4 3HZ LYS 4 -7.085 6.977 6.270 37 H TRP 5 H TRP 5 -1.023 5.781 2.787 38 HA TRP 5 HA TRP 5 1.141 4.054 2.288 39 HB2 TRP 5 2HB TRP 5 2.494 6.091 2.392 40 HB3 TRP 5 1HB TRP 5 1.012 6.388 1.499 41 HD1 TRP 5 HD TRP 5 2.819 7.374 4.714 42 HE1 TRP 5 1HE TRP 5 1.644 9.400 5.780 43 HE3 TRP 5 3HE TRP 5 -1.330 7.603 1.704 44 HZ2 TRP 5 2HZ TRP 5 -0.722 10.887 5.404 45 HZ3 TRP 5 3HZ TRP 5 -2.986 9.353 2.144 46 HH2 TRP 5 HH TRP 5 -2.684 10.958 3.954 47 H MET 6 H MET 6 -0.239 5.305 5.123 48 HA MET 6 HA MET 6 2.027 4.832 6.846 49 HB2 MET 6 2HB MET 6 0.574 6.763 7.172 50 HB3 MET 6 1HB MET 6 -0.806 5.710 7.408 51 HG2 MET 6 2HG MET 6 0.113 4.864 9.441 52 HG3 MET 6 1HG MET 6 1.613 5.742 9.156 53 HE1 MET 6 1HE MET 6 0.509 8.599 8.101 54 HE2 MET 6 2HE MET 6 1.804 8.408 9.280 55 HE3 MET 6 3HE MET 6 0.451 9.484 9.626 56 H TRP 7 H TRP 7 -0.527 3.090 5.606 57 HA TRP 7 HA TRP 7 -0.496 1.194 7.823 58 HB2 TRP 7 2HB TRP 7 -2.535 1.568 5.623 59 HB3 TRP 7 1HB TRP 7 -2.558 0.201 6.729 60 HD1 TRP 7 HD TRP 7 -1.632 2.357 9.218 61 HE1 TRP 7 1HE TRP 7 -3.547 3.646 10.324 62 HE3 TRP 7 3HE TRP 7 -5.185 1.775 5.604 63 HZ2 TRP 7 2HZ TRP 7 -6.219 4.319 9.743 64 HZ3 TRP 7 3HZ TRP 7 -7.403 2.771 5.954 65 HH2 TRP 7 HH TRP 7 -7.909 4.018 7.990 66 H THR 8 H THR 8 -1.178 -1.138 6.702 67 HA THR 8 HA THR 8 1.021 -1.655 4.859 68 HB THR 8 HB THR 8 1.427 -3.759 6.186 69 HG1 THR 8 1HG THR 8 0.445 -3.946 8.192 70 HG21 THR 8 1HG2 THR 8 2.502 -2.699 8.126 71 HG22 THR 8 2HG2 THR 8 1.560 -1.234 7.858 72 HG23 THR 8 3HG2 THR 8 2.772 -1.720 6.682 73 H CYS 9 H CYS 9 0.577 -3.947 3.596 74 HA CYS 9 HA CYS 9 -2.282 -4.482 3.745 75 HB2 CYS 9 2HB CYS 9 -2.402 -4.700 1.327 76 HB3 CYS 9 1HB CYS 9 -1.864 -3.083 1.772 77 H ASP 10 H ASP 10 -2.674 -6.551 2.272 78 HA ASP 10 HA ASP 10 -0.637 -8.567 2.740 79 HB2 ASP 10 2HB ASP 10 -3.424 -8.736 3.909 80 HB3 ASP 10 1HB ASP 10 -2.247 -10.039 3.938 81 H SER 11 H SER 11 -2.474 -10.714 2.276 82 HA SER 11 HA SER 11 -2.737 -10.580 -0.486 83 HB2 SER 11 2HB SER 11 -4.073 -12.490 1.443 84 HB3 SER 11 1HB SER 11 -3.821 -12.745 -0.281 85 HG SER 11 HG SER 11 -2.237 -13.792 0.833 86 H GLU 12 H GLU 12 -5.131 -10.156 2.109 87 HA GLU 12 HA GLU 12 -7.153 -9.665 0.092 88 HB2 GLU 12 2HB GLU 12 -7.446 -9.681 3.100 89 HB3 GLU 12 1HB GLU 12 -8.748 -9.471 1.950 90 HG2 GLU 12 2HG GLU 12 -7.006 -11.907 2.169 91 HG3 GLU 12 1HG GLU 12 -8.633 -11.745 2.826 92 H ARG 13 H ARG 13 -5.814 -7.812 2.841 93 HA ARG 13 HA ARG 13 -7.180 -5.432 2.183 94 HB2 ARG 13 2HB ARG 13 -4.609 -5.781 3.737 95 HB3 ARG 13 1HB ARG 13 -5.471 -4.259 3.596 96 HG2 ARG 13 2HG ARG 13 -7.432 -5.319 4.672 97 HG3 ARG 13 1HG ARG 13 -6.484 -6.780 4.909 98 HD2 ARG 13 2HD ARG 13 -5.874 -4.046 6.022 99 HD3 ARG 13 1HD ARG 13 -6.512 -5.413 6.929 100 HE ARG 13 HE ARG 13 -4.133 -6.293 5.845 101 HH11 ARG 13 1HH1 ARG 13 -5.090 -3.745 8.109 102 HH12 ARG 13 2HH1 ARG 13 -3.563 -3.688 8.870 103 HH21 ARG 13 1HH2 ARG 13 -2.153 -6.224 6.896 104 HH22 ARG 13 2HH2 ARG 13 -1.846 -5.137 8.198 105 H LYS 14 H LYS 14 -6.935 -4.019 0.625 106 HA LYS 14 HA LYS 14 -4.512 -4.128 -1.022 107 HB2 LYS 14 2HB LYS 14 -5.884 -3.109 -2.791 108 HB3 LYS 14 1HB LYS 14 -6.580 -4.623 -2.234 109 HG2 LYS 14 2HG LYS 14 -8.222 -3.390 -0.897 110 HG3 LYS 14 1HG LYS 14 -7.501 -1.871 -1.407 111 HD2 LYS 14 2HD LYS 14 -8.801 -3.889 -3.245 112 HD3 LYS 14 1HD LYS 14 -9.563 -2.414 -2.655 113 HE2 LYS 14 2HE LYS 14 -7.749 -1.106 -3.749 114 HE3 LYS 14 1HE LYS 14 -7.118 -2.613 -4.410 115 HZ1 LYS 14 1HZ LYS 14 -8.474 -1.510 -6.039 116 HZ2 LYS 14 2HZ LYS 14 -9.761 -1.401 -4.990 117 HZ3 LYS 14 3HZ LYS 14 -9.277 -2.908 -5.565 118 H CYS 15 H CYS 15 -3.417 -2.242 -1.548 119 HA CYS 15 HA CYS 15 -3.674 -0.032 0.284 120 HB2 CYS 15 2HB CYS 15 -1.838 -0.334 -2.100 121 HB3 CYS 15 1HB CYS 15 -1.686 0.829 -0.793 122 H CYS 16 H CYS 16 -3.691 2.151 -0.519 123 HA CYS 16 HA CYS 16 -5.884 2.614 -2.241 124 HB2 CYS 16 2HB CYS 16 -3.752 4.560 -1.350 125 HB3 CYS 16 1HB CYS 16 -5.336 4.972 -2.005 126 H LYS 17 H LYS 17 -5.938 3.687 -4.278 127 HA LYS 17 HA LYS 17 -4.329 2.599 -6.266 128 HB2 LYS 17 2HB LYS 17 -6.543 3.454 -6.741 129 HB3 LYS 17 1HB LYS 17 -6.064 5.073 -6.271 130 HG2 LYS 17 2HG LYS 17 -6.227 4.924 -8.679 131 HG3 LYS 17 1HG LYS 17 -4.552 5.176 -8.204 132 HD2 LYS 17 2HD LYS 17 -4.097 2.795 -8.536 133 HD3 LYS 17 1HD LYS 17 -5.784 2.536 -8.991 134 HE2 LYS 17 2HE LYS 17 -5.508 4.084 -10.876 135 HE3 LYS 17 1HE LYS 17 -3.825 4.330 -10.420 136 HZ1 LYS 17 1HZ LYS 17 -4.110 2.741 -12.233 137 HZ2 LYS 17 2HZ LYS 17 -5.001 1.734 -11.238 138 HZ3 LYS 17 3HZ LYS 17 -3.372 2.023 -10.907 139 H GLY 18 H GLY 18 -2.298 3.000 -6.783 140 HA2 GLY 18 2HA GLY 18 -0.630 4.546 -7.541 141 HA3 GLY 18 1HA GLY 18 -1.261 5.724 -6.393 142 H MET 19 H MET 19 -1.151 2.597 -5.133 143 HA MET 19 HA MET 19 1.520 3.013 -3.999 144 HB2 MET 19 2HB MET 19 -0.972 2.009 -2.603 145 HB3 MET 19 1HB MET 19 0.643 1.973 -1.907 146 HG2 MET 19 2HG MET 19 0.769 4.307 -1.876 147 HG3 MET 19 1HG MET 19 -0.743 4.495 -2.781 148 HE1 MET 19 1HE MET 19 -0.369 6.208 -0.283 149 HE2 MET 19 2HE MET 19 -1.875 5.919 0.593 150 HE3 MET 19 3HE MET 19 -1.895 6.088 -1.161 151 H VAL 20 H VAL 20 2.538 1.006 -3.353 152 HA VAL 20 HA VAL 20 1.540 -1.237 -4.948 153 HB VAL 20 HB VAL 20 3.808 -2.186 -4.919 154 HG11 VAL 20 1HG1 VAL 20 3.246 -0.698 -6.747 155 HG12 VAL 20 2HG1 VAL 20 4.957 -0.582 -6.336 156 HG13 VAL 20 3HG1 VAL 20 3.840 0.678 -5.816 157 HG21 VAL 20 1HG2 VAL 20 4.624 0.306 -3.433 158 HG22 VAL 20 2HG2 VAL 20 5.724 -0.934 -4.046 159 HG23 VAL 20 3HG2 VAL 20 4.571 -1.326 -2.767 160 H CYS 21 H CYS 21 1.373 -3.217 -4.015 161 HA CYS 21 HA CYS 21 0.941 -3.074 -1.161 162 HB2 CYS 21 2HB CYS 21 -0.794 -3.988 -2.786 163 HB3 CYS 21 1HB CYS 21 0.271 -5.369 -3.018 164 H ARG 22 H ARG 22 1.990 -4.264 0.307 165 HA ARG 22 HA ARG 22 3.758 -6.389 -0.137 166 HB2 ARG 22 2HB ARG 22 5.030 -4.351 -1.056 167 HB3 ARG 22 1HB ARG 22 5.030 -3.737 0.585 168 HG2 ARG 22 2HG ARG 22 6.401 -5.531 1.347 169 HG3 ARG 22 1HG ARG 22 6.229 -6.387 -0.193 170 HD2 ARG 22 2HD ARG 22 7.374 -4.648 -1.314 171 HD3 ARG 22 1HD ARG 22 7.475 -3.695 0.176 172 HE ARG 22 HE ARG 22 8.641 -6.163 0.664 173 HH11 ARG 22 1HH1 ARG 22 9.322 -3.430 -1.488 174 HH12 ARG 22 2HH1 ARG 22 11.011 -3.616 -1.441 175 HH21 ARG 22 1HH2 ARG 22 10.981 -6.453 0.697 176 HH22 ARG 22 2HH2 ARG 22 11.965 -5.380 -0.174 177 H LEU 23 H LEU 23 5.147 -6.323 2.189 178 HA LEU 23 HA LEU 23 3.515 -6.637 4.329 179 HB2 LEU 23 2HB LEU 23 6.349 -5.623 4.338 180 HB3 LEU 23 1HB LEU 23 5.505 -6.167 5.770 181 HG LEU 23 HG LEU 23 6.201 -7.865 3.376 182 HD11 LEU 23 1HD1 LEU 23 8.148 -7.263 4.692 183 HD12 LEU 23 2HD1 LEU 23 7.750 -8.968 4.922 184 HD13 LEU 23 3HD1 LEU 23 7.334 -7.789 6.165 185 HD21 LEU 23 1HD2 LEU 23 5.434 -9.742 4.764 186 HD22 LEU 23 2HD2 LEU 23 4.126 -8.621 4.413 187 HD23 LEU 23 3HD2 LEU 23 4.899 -8.606 6.001 188 H TRP 24 H TRP 24 4.598 -3.605 3.016 189 HA TRP 24 HA TRP 24 2.736 -2.335 4.774 190 HB2 TRP 24 2HB TRP 24 4.190 -0.476 5.268 191 HB3 TRP 24 1HB TRP 24 5.100 -1.933 5.629 192 HD1 TRP 24 HD TRP 24 5.055 1.089 3.520 193 HE1 TRP 24 1HE TRP 24 7.250 1.259 2.108 194 HE3 TRP 24 3HE TRP 24 6.907 -3.541 4.430 195 HZ2 TRP 24 2HZ TRP 24 9.448 -0.419 1.487 196 HZ3 TRP 24 3HZ TRP 24 9.047 -4.210 3.401 197 HH2 TRP 24 HH TRP 24 10.285 -2.672 1.962 198 H CYS 25 H CYS 25 1.971 -0.211 3.671 199 HA CYS 25 HA CYS 25 1.960 -0.644 0.808 200 HB2 CYS 25 2HB CYS 25 0.400 1.265 2.558 201 HB3 CYS 25 1HB CYS 25 0.298 1.260 0.801 202 H LYS 26 H LYS 26 3.102 0.443 -0.567 203 HA LYS 26 HA LYS 26 4.600 2.774 0.410 204 HB2 LYS 26 2HB LYS 26 6.094 0.872 0.139 205 HB3 LYS 26 1HB LYS 26 5.490 0.596 -1.488 206 HG2 LYS 26 2HG LYS 26 6.420 2.688 -2.227 207 HG3 LYS 26 1HG LYS 26 6.947 3.065 -0.597 208 HD2 LYS 26 2HD LYS 26 8.838 2.259 -1.904 209 HD3 LYS 26 1HD LYS 26 8.427 1.045 -0.691 210 HE2 LYS 26 2HE LYS 26 7.230 -0.251 -2.336 211 HE3 LYS 26 1HE LYS 26 7.487 0.998 -3.550 212 HZ1 LYS 26 1HZ LYS 26 9.869 0.549 -3.407 213 HZ2 LYS 26 2HZ LYS 26 8.989 -0.807 -3.850 214 HZ3 LYS 26 3HZ LYS 26 9.591 -0.687 -2.292 215 H LYS 27 H LYS 27 4.725 4.512 -0.988 216 HA LYS 27 HA LYS 27 2.606 4.716 -2.892 217 HB2 LYS 27 2HB LYS 27 4.898 6.600 -2.396 218 HB3 LYS 27 1HB LYS 27 3.438 6.965 -3.290 219 HG2 LYS 27 2HG LYS 27 2.083 6.729 -1.302 220 HG3 LYS 27 1HG LYS 27 3.500 6.257 -0.364 221 HD2 LYS 27 2HD LYS 27 4.507 8.452 -0.797 222 HD3 LYS 27 1HD LYS 27 3.079 8.914 -1.725 223 HE2 LYS 27 2HE LYS 27 1.692 8.665 0.255 224 HE3 LYS 27 1HE LYS 27 3.087 8.135 1.187 225 HZ1 LYS 27 1HZ LYS 27 4.088 10.309 0.864 226 HZ2 LYS 27 2HZ LYS 27 2.570 10.450 1.576 227 HZ3 LYS 27 3HZ LYS 27 2.753 10.804 -0.057 228 H LYS 28 H LYS 28 2.681 4.692 -5.027 229 HA LYS 28 HA LYS 28 5.149 3.731 -6.266 230 HB2 LYS 28 2HB LYS 28 3.007 2.386 -6.515 231 HB3 LYS 28 1HB LYS 28 2.330 3.748 -7.379 232 HG2 LYS 28 2HG LYS 28 4.062 3.510 -9.109 233 HG3 LYS 28 1HG LYS 28 4.710 2.120 -8.243 234 HD2 LYS 28 2HD LYS 28 2.540 0.971 -8.497 235 HD3 LYS 28 1HD LYS 28 1.935 2.346 -9.419 236 HE2 LYS 28 2HE LYS 28 3.687 1.979 -11.104 237 HE3 LYS 28 1HE LYS 28 4.283 0.604 -10.178 238 HZ1 LYS 28 1HZ LYS 28 2.886 -0.100 -12.003 239 HZ2 LYS 28 2HZ LYS 28 1.594 0.813 -11.422 240 HZ3 LYS 28 3HZ LYS 28 2.162 -0.506 -10.539 241 H LEU 29 H LEU 29 6.124 5.730 -6.386 242 HA LEU 29 HA LEU 29 4.771 7.724 -8.062 243 HB2 LEU 29 2HB LEU 29 6.208 9.433 -7.137 244 HB3 LEU 29 1HB LEU 29 5.424 8.568 -5.840 245 HG LEU 29 HG LEU 29 8.305 8.100 -6.665 246 HD11 LEU 29 1HD1 LEU 29 8.013 10.394 -5.916 247 HD12 LEU 29 2HD1 LEU 29 8.911 9.455 -4.725 248 HD13 LEU 29 3HD1 LEU 29 7.208 9.827 -4.454 249 HD21 LEU 29 1HD2 LEU 29 7.386 6.226 -5.402 250 HD22 LEU 29 2HD2 LEU 29 6.761 7.330 -4.180 251 HD23 LEU 29 3HD2 LEU 29 8.500 7.139 -4.386 252 H TRP 30 H TRP 30 6.655 5.285 -8.503 253 HA TRP 30 HA TRP 30 8.731 6.543 -10.094 254 HB2 TRP 30 2HB TRP 30 8.225 3.618 -9.477 255 HB3 TRP 30 1HB TRP 30 9.631 4.269 -10.314 256 HD1 TRP 30 HD TRP 30 8.118 3.864 -6.850 257 HE1 TRP 30 1HE TRP 30 9.890 4.478 -5.093 258 HE3 TRP 30 3HE TRP 30 11.730 5.710 -9.942 259 HZ2 TRP 30 2HZ TRP 30 12.477 5.578 -5.020 260 HZ3 TRP 30 3HZ TRP 30 13.820 6.516 -8.951 261 HH2 TRP 30 HH TRP 30 14.186 6.452 -6.541 Start of MODEL 13 1 H1 TYR 1 1HT TYR 1 -10.444 2.420 4.709 2 H2 TYR 1 2HT TYR 1 -10.156 0.965 5.514 3 H3 TYR 1 3HT TYR 1 -11.638 1.714 5.710 4 HA TYR 1 HA TYR 1 -11.779 -0.178 4.279 5 HB2 TYR 1 2HB TYR 1 -11.974 2.423 2.726 6 HB3 TYR 1 1HB TYR 1 -12.681 0.898 2.225 7 HD1 TYR 1 1HD TYR 1 -12.894 3.657 4.666 8 HD2 TYR 1 2HD TYR 1 -14.715 0.115 3.190 9 HE1 TYR 1 1HE TYR 1 -14.930 4.206 5.886 10 HE2 TYR 1 2HE TYR 1 -16.760 0.657 4.404 11 HH TYR 1 HH TYR 1 -17.300 3.701 5.798 12 H CYS 2 H CYS 2 -10.108 2.238 2.301 13 HA CYS 2 HA CYS 2 -8.522 0.178 1.064 14 HB2 CYS 2 2HB CYS 2 -9.456 2.178 -0.173 15 HB3 CYS 2 1HB CYS 2 -8.393 3.184 0.810 16 H GLN 3 H GLN 3 -6.072 0.515 1.107 17 HA GLN 3 HA GLN 3 -5.508 1.265 3.844 18 HB2 GLN 3 2HB GLN 3 -3.782 -0.538 2.170 19 HB3 GLN 3 1HB GLN 3 -3.619 -0.213 3.886 20 HG2 GLN 3 2HG GLN 3 -6.154 -1.088 3.866 21 HG3 GLN 3 1HG GLN 3 -5.518 -1.952 2.466 22 HE21 GLN 3 1HE2 GLN 3 -5.453 -1.640 5.857 23 HE22 GLN 3 2HE2 GLN 3 -4.468 -3.013 6.166 24 H LYS 4 H LYS 4 -4.356 2.777 4.392 25 HA LYS 4 HA LYS 4 -3.426 4.688 2.467 26 HB2 LYS 4 2HB LYS 4 -3.284 4.721 5.480 27 HB3 LYS 4 1HB LYS 4 -3.081 6.102 4.410 28 HG2 LYS 4 2HG LYS 4 -5.404 5.911 3.695 29 HG3 LYS 4 1HG LYS 4 -5.609 4.488 4.716 30 HD2 LYS 4 2HD LYS 4 -5.077 5.878 6.690 31 HD3 LYS 4 1HD LYS 4 -4.988 7.292 5.639 32 HE2 LYS 4 2HE LYS 4 -7.326 6.923 4.973 33 HE3 LYS 4 1HE LYS 4 -7.403 5.538 6.059 34 HZ1 LYS 4 1HZ LYS 4 -8.342 7.461 7.112 35 HZ2 LYS 4 2HZ LYS 4 -6.954 8.359 6.816 36 HZ3 LYS 4 3HZ LYS 4 -6.903 7.072 7.907 37 H TRP 5 H TRP 5 -1.293 5.729 2.774 38 HA TRP 5 HA TRP 5 0.789 3.928 2.274 39 HB2 TRP 5 2HB TRP 5 2.247 5.814 2.143 40 HB3 TRP 5 1HB TRP 5 0.676 6.372 1.586 41 HD1 TRP 5 HD TRP 5 -0.781 7.807 3.579 42 HE1 TRP 5 1HE TRP 5 0.124 9.488 5.292 43 HE3 TRP 5 3HE TRP 5 4.144 6.472 3.469 44 HZ2 TRP 5 2HZ TRP 5 2.619 10.166 6.443 45 HZ3 TRP 5 3HZ TRP 5 5.724 7.685 4.903 46 HH2 TRP 5 HH TRP 5 4.973 9.492 6.354 47 H MET 6 H MET 6 -0.310 5.272 5.236 48 HA MET 6 HA MET 6 2.070 4.750 6.732 49 HB2 MET 6 2HB MET 6 0.640 6.609 7.302 50 HB3 MET 6 1HB MET 6 -0.713 5.527 7.579 51 HG2 MET 6 2HG MET 6 0.363 4.576 9.489 52 HG3 MET 6 1HG MET 6 1.827 5.496 9.150 53 HE1 MET 6 1HE MET 6 2.045 8.094 9.449 54 HE2 MET 6 2HE MET 6 0.730 9.153 9.943 55 HE3 MET 6 3HE MET 6 0.685 8.384 8.360 56 H TRP 7 H TRP 7 -0.457 2.898 5.661 57 HA TRP 7 HA TRP 7 -0.373 1.044 7.906 58 HB2 TRP 7 2HB TRP 7 -2.236 1.103 5.514 59 HB3 TRP 7 1HB TRP 7 -2.332 -0.046 6.838 60 HD1 TRP 7 HD TRP 7 -1.645 3.005 8.623 61 HE1 TRP 7 1HE TRP 7 -3.796 4.227 9.358 62 HE3 TRP 7 3HE TRP 7 -5.011 0.564 5.683 63 HZ2 TRP 7 2HZ TRP 7 -6.542 4.148 8.779 64 HZ3 TRP 7 3HZ TRP 7 -7.381 1.191 5.828 65 HH2 TRP 7 HH TRP 7 -8.128 2.944 7.352 66 H THR 8 H THR 8 -0.838 -1.335 6.799 67 HA THR 8 HA THR 8 1.274 -1.814 4.844 68 HB THR 8 HB THR 8 1.694 -3.945 6.189 69 HG1 THR 8 1HG THR 8 0.010 -4.232 7.504 70 HG21 THR 8 1HG2 THR 8 3.171 -1.952 6.481 71 HG22 THR 8 2HG2 THR 8 2.984 -2.876 7.964 72 HG23 THR 8 3HG2 THR 8 2.080 -1.379 7.736 73 H CYS 9 H CYS 9 0.664 -3.963 3.496 74 HA CYS 9 HA CYS 9 -2.210 -4.393 3.933 75 HB2 CYS 9 2HB CYS 9 -2.540 -4.692 1.566 76 HB3 CYS 9 1HB CYS 9 -1.881 -3.099 1.908 77 H ASP 10 H ASP 10 -2.969 -6.391 2.787 78 HA ASP 10 HA ASP 10 -1.069 -8.575 3.048 79 HB2 ASP 10 2HB ASP 10 -2.715 -9.933 4.285 80 HB3 ASP 10 1HB ASP 10 -2.359 -8.472 5.182 81 H SER 11 H SER 11 -3.158 -10.544 2.444 82 HA SER 11 HA SER 11 -3.182 -10.134 -0.373 83 HB2 SER 11 2HB SER 11 -4.367 -12.338 -0.369 84 HB3 SER 11 1HB SER 11 -2.824 -12.352 0.486 85 HG SER 11 HG SER 11 -5.443 -12.472 1.483 86 H GLU 12 H GLU 12 -5.539 -9.962 2.215 87 HA GLU 12 HA GLU 12 -7.778 -9.838 0.403 88 HB2 GLU 12 2HB GLU 12 -7.752 -9.411 3.392 89 HB3 GLU 12 1HB GLU 12 -9.122 -9.847 2.386 90 HG2 GLU 12 2HG GLU 12 -6.752 -11.584 3.066 91 HG3 GLU 12 1HG GLU 12 -8.404 -11.774 3.641 92 H ARG 13 H ARG 13 -6.076 -7.786 2.690 93 HA ARG 13 HA ARG 13 -7.497 -5.432 1.669 94 HB2 ARG 13 2HB ARG 13 -5.678 -5.818 4.011 95 HB3 ARG 13 1HB ARG 13 -6.263 -4.247 3.498 96 HG2 ARG 13 2HG ARG 13 -7.962 -6.543 4.332 97 HG3 ARG 13 1HG ARG 13 -7.430 -5.223 5.399 98 HD2 ARG 13 2HD ARG 13 -9.651 -4.694 4.703 99 HD3 ARG 13 1HD ARG 13 -8.577 -3.650 3.787 100 HE ARG 13 HE ARG 13 -9.228 -6.052 2.391 101 HH11 ARG 13 1HH1 ARG 13 -10.499 -2.851 3.209 102 HH12 ARG 13 2HH1 ARG 13 -11.505 -2.746 1.846 103 HH21 ARG 13 1HH2 ARG 13 -10.639 -5.918 0.537 104 HH22 ARG 13 2HH2 ARG 13 -11.579 -4.520 0.279 105 H LYS 14 H LYS 14 -6.617 -4.424 0.105 106 HA LYS 14 HA LYS 14 -3.706 -4.582 -0.304 107 HB2 LYS 14 2HB LYS 14 -5.920 -3.955 -2.246 108 HB3 LYS 14 1HB LYS 14 -4.205 -3.931 -2.637 109 HG2 LYS 14 2HG LYS 14 -4.033 -6.293 -2.235 110 HG3 LYS 14 1HG LYS 14 -5.703 -6.352 -1.666 111 HD2 LYS 14 2HD LYS 14 -6.486 -5.666 -3.871 112 HD3 LYS 14 1HD LYS 14 -4.821 -5.574 -4.442 113 HE2 LYS 14 2HE LYS 14 -5.949 -7.654 -5.117 114 HE3 LYS 14 1HE LYS 14 -4.533 -7.936 -4.111 115 HZ1 LYS 14 1HZ LYS 14 -5.971 -8.409 -2.234 116 HZ2 LYS 14 2HZ LYS 14 -6.503 -9.311 -3.530 117 HZ3 LYS 14 3HZ LYS 14 -7.332 -7.941 -3.096 118 H CYS 15 H CYS 15 -2.604 -2.647 -1.010 119 HA CYS 15 HA CYS 15 -3.498 -0.277 0.344 120 HB2 CYS 15 2HB CYS 15 -1.138 -0.627 -1.519 121 HB3 CYS 15 1HB CYS 15 -1.408 0.719 -0.421 122 H CYS 16 H CYS 16 -3.669 1.787 -0.674 123 HA CYS 16 HA CYS 16 -5.530 1.793 -2.772 124 HB2 CYS 16 2HB CYS 16 -3.924 4.066 -1.620 125 HB3 CYS 16 1HB CYS 16 -5.335 4.247 -2.659 126 H LYS 17 H LYS 17 -5.386 3.113 -4.728 127 HA LYS 17 HA LYS 17 -3.370 2.278 -6.496 128 HB2 LYS 17 2HB LYS 17 -5.623 2.792 -7.234 129 HB3 LYS 17 1HB LYS 17 -5.456 4.457 -6.711 130 HG2 LYS 17 2HG LYS 17 -3.727 4.815 -8.415 131 HG3 LYS 17 1HG LYS 17 -3.917 3.144 -8.946 132 HD2 LYS 17 2HD LYS 17 -6.139 5.180 -8.926 133 HD3 LYS 17 1HD LYS 17 -5.146 4.813 -10.335 134 HE2 LYS 17 2HE LYS 17 -5.913 2.508 -10.303 135 HE3 LYS 17 1HE LYS 17 -6.848 2.812 -8.843 136 HZ1 LYS 17 1HZ LYS 17 -8.148 2.839 -10.893 137 HZ2 LYS 17 2HZ LYS 17 -7.292 4.185 -11.425 138 HZ3 LYS 17 3HZ LYS 17 -8.258 4.284 -10.029 139 H GLY 18 H GLY 18 -1.612 3.374 -7.341 140 HA2 GLY 18 2HA GLY 18 -0.101 5.132 -7.524 141 HA3 GLY 18 1HA GLY 18 -0.960 5.989 -6.241 142 H MET 19 H MET 19 -0.876 2.993 -5.180 143 HA MET 19 HA MET 19 1.761 3.143 -3.939 144 HB2 MET 19 2HB MET 19 -0.881 2.421 -2.640 145 HB3 MET 19 1HB MET 19 0.695 2.247 -1.879 146 HG2 MET 19 2HG MET 19 1.038 4.522 -1.819 147 HG3 MET 19 1HG MET 19 -0.345 4.885 -2.871 148 HE1 MET 19 1HE MET 19 -1.464 6.628 -1.380 149 HE2 MET 19 2HE MET 19 0.020 6.583 -0.435 150 HE3 MET 19 3HE MET 19 -1.545 6.509 0.377 151 H VAL 20 H VAL 20 2.535 1.093 -3.359 152 HA VAL 20 HA VAL 20 1.340 -1.034 -4.946 153 HB VAL 20 HB VAL 20 3.621 -0.486 -5.684 154 HG11 VAL 20 1HG1 VAL 20 4.518 0.470 -3.661 155 HG12 VAL 20 2HG1 VAL 20 5.573 -0.805 -4.272 156 HG13 VAL 20 3HG1 VAL 20 4.518 -1.120 -2.893 157 HG21 VAL 20 1HG2 VAL 20 2.962 -2.809 -5.865 158 HG22 VAL 20 2HG2 VAL 20 3.519 -3.119 -4.225 159 HG23 VAL 20 3HG2 VAL 20 4.682 -2.699 -5.485 160 H CYS 21 H CYS 21 0.655 -2.778 -3.980 161 HA CYS 21 HA CYS 21 0.424 -2.785 -1.141 162 HB2 CYS 21 2HB CYS 21 -1.370 -3.588 -2.723 163 HB3 CYS 21 1HB CYS 21 -0.335 -4.954 -3.116 164 H ARG 22 H ARG 22 2.065 -3.351 0.044 165 HA ARG 22 HA ARG 22 3.620 -5.715 -0.625 166 HB2 ARG 22 2HB ARG 22 4.658 -2.959 -0.056 167 HB3 ARG 22 1HB ARG 22 5.654 -4.364 0.190 168 HG2 ARG 22 2HG ARG 22 4.491 -3.414 -2.388 169 HG3 ARG 22 1HG ARG 22 6.164 -3.348 -1.760 170 HD2 ARG 22 2HD ARG 22 4.681 -5.919 -2.307 171 HD3 ARG 22 1HD ARG 22 5.838 -5.185 -3.410 172 HE ARG 22 HE ARG 22 7.021 -5.397 -0.893 173 HH11 ARG 22 1HH1 ARG 22 5.967 -7.586 -3.485 174 HH12 ARG 22 2HH1 ARG 22 7.197 -8.715 -3.195 175 HH21 ARG 22 1HH2 ARG 22 8.631 -6.959 -0.466 176 HH22 ARG 22 2HH2 ARG 22 8.746 -8.355 -1.428 177 H LEU 23 H LEU 23 5.416 -5.397 1.348 178 HA LEU 23 HA LEU 23 4.244 -6.491 3.625 179 HB2 LEU 23 2HB LEU 23 6.682 -6.557 3.126 180 HB3 LEU 23 1HB LEU 23 6.788 -4.849 3.493 181 HG LEU 23 HG LEU 23 6.119 -5.351 5.832 182 HD11 LEU 23 1HD1 LEU 23 4.924 -7.427 5.484 183 HD12 LEU 23 2HD1 LEU 23 6.241 -7.663 6.631 184 HD13 LEU 23 3HD1 LEU 23 6.412 -8.222 4.967 185 HD21 LEU 23 1HD2 LEU 23 8.273 -6.305 6.502 186 HD22 LEU 23 2HD2 LEU 23 8.467 -5.087 5.241 187 HD23 LEU 23 3HD2 LEU 23 8.570 -6.800 4.836 188 H TRP 24 H TRP 24 5.052 -3.181 2.800 189 HA TRP 24 HA TRP 24 3.016 -2.366 4.641 190 HB2 TRP 24 2HB TRP 24 4.230 -0.328 5.223 191 HB3 TRP 24 1HB TRP 24 5.231 -1.718 5.607 192 HD1 TRP 24 HD TRP 24 4.967 1.241 3.298 193 HE1 TRP 24 1HE TRP 24 7.299 1.685 2.182 194 HE3 TRP 24 3HE TRP 24 7.391 -2.904 4.914 195 HZ2 TRP 24 2HZ TRP 24 9.805 0.393 2.055 196 HZ3 TRP 24 3HZ TRP 24 9.738 -3.248 4.276 197 HH2 TRP 24 HH TRP 24 10.918 -1.639 2.886 198 H CYS 25 H CYS 25 2.104 -0.126 3.874 199 HA CYS 25 HA CYS 25 1.747 -0.302 1.051 200 HB2 CYS 25 2HB CYS 25 0.706 1.639 3.111 201 HB3 CYS 25 1HB CYS 25 0.350 1.781 1.390 202 H LYS 26 H LYS 26 2.999 0.496 -0.360 203 HA LYS 26 HA LYS 26 4.836 2.609 0.482 204 HB2 LYS 26 2HB LYS 26 5.997 0.544 0.088 205 HB3 LYS 26 1HB LYS 26 5.199 0.345 -1.466 206 HG2 LYS 26 2HG LYS 26 6.291 2.421 -2.227 207 HG3 LYS 26 1HG LYS 26 7.181 2.459 -0.711 208 HD2 LYS 26 2HD LYS 26 8.168 0.293 -1.243 209 HD3 LYS 26 1HD LYS 26 7.252 0.248 -2.754 210 HE2 LYS 26 2HE LYS 26 9.341 2.263 -1.975 211 HE3 LYS 26 1HE LYS 26 9.520 0.983 -3.166 212 HZ1 LYS 26 1HZ LYS 26 7.777 2.075 -4.515 213 HZ2 LYS 26 2HZ LYS 26 9.081 3.085 -4.231 214 HZ3 LYS 26 3HZ LYS 26 7.659 3.315 -3.370 215 H LYS 27 H LYS 27 4.644 4.467 -0.652 216 HA LYS 27 HA LYS 27 2.827 4.689 -2.799 217 HB2 LYS 27 2HB LYS 27 5.087 6.535 -2.085 218 HB3 LYS 27 1HB LYS 27 3.767 6.931 -3.162 219 HG2 LYS 27 2HG LYS 27 2.153 6.696 -1.343 220 HG3 LYS 27 1HG LYS 27 3.446 6.276 -0.234 221 HD2 LYS 27 2HD LYS 27 2.913 8.546 0.200 222 HD3 LYS 27 1HD LYS 27 4.424 8.568 -0.692 223 HE2 LYS 27 2HE LYS 27 1.736 8.984 -2.014 224 HE3 LYS 27 1HE LYS 27 2.659 10.307 -1.324 225 HZ1 LYS 27 1HZ LYS 27 3.465 8.577 -3.619 226 HZ2 LYS 27 2HZ LYS 27 4.475 9.682 -2.862 227 HZ3 LYS 27 3HZ LYS 27 3.090 10.221 -3.645 228 H LYS 28 H LYS 28 3.062 4.527 -4.839 229 HA LYS 28 HA LYS 28 5.541 3.306 -5.780 230 HB2 LYS 28 2HB LYS 28 3.655 1.799 -5.845 231 HB3 LYS 28 1HB LYS 28 2.688 2.981 -6.704 232 HG2 LYS 28 2HG LYS 28 4.149 2.764 -8.656 233 HG3 LYS 28 1HG LYS 28 5.131 1.579 -7.792 234 HD2 LYS 28 2HD LYS 28 3.241 0.075 -7.629 235 HD3 LYS 28 1HD LYS 28 2.186 1.278 -8.368 236 HE2 LYS 28 2HE LYS 28 2.837 -0.443 -9.970 237 HE3 LYS 28 1HE LYS 28 3.459 1.136 -10.434 238 HZ1 LYS 28 1HZ LYS 28 5.029 -0.731 -10.685 239 HZ2 LYS 28 2HZ LYS 28 5.093 -0.896 -9.009 240 HZ3 LYS 28 3HZ LYS 28 5.621 0.532 -9.762 241 H LEU 29 H LEU 29 6.630 5.061 -6.451 242 HA LEU 29 HA LEU 29 5.417 6.859 -8.363 243 HB2 LEU 29 2HB LEU 29 8.315 6.544 -7.531 244 HB3 LEU 29 1HB LEU 29 7.679 7.837 -8.520 245 HG LEU 29 HG LEU 29 7.030 7.363 -5.612 246 HD11 LEU 29 1HD1 LEU 29 8.695 9.482 -6.957 247 HD12 LEU 29 2HD1 LEU 29 9.294 8.164 -5.951 248 HD13 LEU 29 3HD1 LEU 29 8.286 9.425 -5.242 249 HD21 LEU 29 1HD2 LEU 29 5.888 9.533 -5.735 250 HD22 LEU 29 2HD2 LEU 29 5.131 8.346 -6.791 251 HD23 LEU 29 3HD2 LEU 29 6.183 9.589 -7.472 252 H TRP 30 H TRP 30 7.849 4.348 -8.204 253 HA TRP 30 HA TRP 30 7.382 3.820 -11.027 254 HB2 TRP 30 2HB TRP 30 10.019 3.622 -9.552 255 HB3 TRP 30 1HB TRP 30 9.739 3.096 -11.209 256 HD1 TRP 30 HD TRP 30 9.002 5.120 -12.956 257 HE1 TRP 30 1HE TRP 30 9.834 7.550 -13.045 258 HE3 TRP 30 3HE TRP 30 10.853 5.479 -8.234 259 HZ2 TRP 30 2HZ TRP 30 11.125 9.389 -11.306 260 HZ3 TRP 30 3HZ TRP 30 11.873 7.603 -7.514 261 HH2 TRP 30 HH TRP 30 12.004 9.503 -9.013 Start of MODEL 14 1 H1 TYR 1 1HT TYR 1 -13.454 1.459 -0.195 2 H2 TYR 1 2HT TYR 1 -12.287 0.680 -1.163 3 H3 TYR 1 3HT TYR 1 -12.207 2.324 -0.929 4 HA TYR 1 HA TYR 1 -11.715 2.089 1.318 5 HB2 TYR 1 2HB TYR 1 -11.209 -0.196 2.242 6 HB3 TYR 1 1HB TYR 1 -12.910 0.096 1.927 7 HD1 TYR 1 1HD TYR 1 -14.074 -1.144 0.207 8 HD2 TYR 1 2HD TYR 1 -9.915 -1.735 0.866 9 HE1 TYR 1 1HE TYR 1 -14.154 -3.126 -1.162 10 HE2 TYR 1 2HE TYR 1 -9.965 -3.730 -0.499 11 HH TYR 1 HH TYR 1 -11.532 -5.373 -1.312 12 H CYS 2 H CYS 2 -9.546 2.000 1.937 13 HA CYS 2 HA CYS 2 -7.603 0.940 0.054 14 HB2 CYS 2 2HB CYS 2 -8.037 3.850 0.589 15 HB3 CYS 2 1HB CYS 2 -6.457 3.244 0.156 16 H GLN 3 H GLN 3 -5.701 0.451 1.066 17 HA GLN 3 HA GLN 3 -5.458 1.052 3.871 18 HB2 GLN 3 2HB GLN 3 -3.432 -0.212 1.994 19 HB3 GLN 3 1HB GLN 3 -3.288 -0.093 3.724 20 HG2 GLN 3 2HG GLN 3 -5.387 -1.682 2.288 21 HG3 GLN 3 1HG GLN 3 -3.905 -2.330 2.986 22 HE21 GLN 3 1HE2 GLN 3 -3.677 -2.379 5.199 23 HE22 GLN 3 2HE2 GLN 3 -5.039 -2.228 6.256 24 H LYS 4 H LYS 4 -3.924 2.477 4.697 25 HA LYS 4 HA LYS 4 -3.213 4.587 2.830 26 HB2 LYS 4 2HB LYS 4 -3.057 4.495 5.837 27 HB3 LYS 4 1HB LYS 4 -2.683 5.896 4.846 28 HG2 LYS 4 2HG LYS 4 -4.992 5.937 4.047 29 HG3 LYS 4 1HG LYS 4 -5.358 4.539 5.060 30 HD2 LYS 4 2HD LYS 4 -4.749 5.830 7.048 31 HD3 LYS 4 1HD LYS 4 -4.392 7.221 6.022 32 HE2 LYS 4 2HE LYS 4 -6.722 7.254 5.266 33 HE3 LYS 4 1HE LYS 4 -7.058 5.860 6.292 34 HZ1 LYS 4 1HZ LYS 4 -7.736 7.943 7.325 35 HZ2 LYS 4 2HZ LYS 4 -6.161 8.515 7.261 36 HZ3 LYS 4 3HZ LYS 4 -6.529 7.193 8.225 37 H TRP 5 H TRP 5 -1.131 5.709 3.354 38 HA TRP 5 HA TRP 5 1.097 4.102 2.746 39 HB2 TRP 5 2HB TRP 5 2.380 6.233 3.164 40 HB3 TRP 5 1HB TRP 5 1.005 6.444 2.081 41 HD1 TRP 5 HD TRP 5 2.342 7.488 5.487 42 HE1 TRP 5 1HE TRP 5 0.813 9.280 6.502 43 HE3 TRP 5 3HE TRP 5 -1.468 7.338 2.064 44 HZ2 TRP 5 2HZ TRP 5 -1.676 10.496 5.910 45 HZ3 TRP 5 3HZ TRP 5 -3.373 8.845 2.371 46 HH2 TRP 5 HH TRP 5 -3.473 10.387 4.248 47 H MET 6 H MET 6 -0.290 5.152 5.684 48 HA MET 6 HA MET 6 1.909 4.659 7.448 49 HB2 MET 6 2HB MET 6 0.170 6.268 7.972 50 HB3 MET 6 1HB MET 6 -1.051 5.008 7.915 51 HG2 MET 6 2HG MET 6 0.004 3.926 9.838 52 HG3 MET 6 1HG MET 6 1.191 5.224 9.890 53 HE1 MET 6 1HE MET 6 0.621 5.691 12.433 54 HE2 MET 6 2HE MET 6 -0.547 4.369 12.399 55 HE3 MET 6 3HE MET 6 -1.015 5.940 13.044 56 H TRP 7 H TRP 7 -0.547 2.841 5.983 57 HA TRP 7 HA TRP 7 -0.487 0.756 8.006 58 HB2 TRP 7 2HB TRP 7 -2.292 1.015 5.581 59 HB3 TRP 7 1HB TRP 7 -2.445 -0.180 6.857 60 HD1 TRP 7 HD TRP 7 -1.766 2.828 8.736 61 HE1 TRP 7 1HE TRP 7 -3.915 4.051 9.456 62 HE3 TRP 7 3HE TRP 7 -5.094 0.473 5.690 63 HZ2 TRP 7 2HZ TRP 7 -6.656 4.018 8.812 64 HZ3 TRP 7 3HZ TRP 7 -7.460 1.131 5.790 65 HH2 TRP 7 HH TRP 7 -8.218 2.863 7.326 66 H THR 8 H THR 8 -0.900 -1.485 6.699 67 HA THR 8 HA THR 8 1.241 -1.720 4.746 68 HB THR 8 HB THR 8 1.746 -3.955 5.860 69 HG1 THR 8 1HG THR 8 0.278 -3.006 8.060 70 HG21 THR 8 1HG2 THR 8 3.076 -1.915 6.530 71 HG22 THR 8 2HG2 THR 8 2.860 -3.049 7.854 72 HG23 THR 8 3HG2 THR 8 1.867 -1.602 7.766 73 H CYS 9 H CYS 9 0.742 -4.102 3.463 74 HA CYS 9 HA CYS 9 -2.174 -4.254 3.572 75 HB2 CYS 9 2HB CYS 9 -2.332 -4.686 1.223 76 HB3 CYS 9 1HB CYS 9 -1.391 -3.223 1.451 77 H ASP 10 H ASP 10 -2.806 -6.346 2.218 78 HA ASP 10 HA ASP 10 -1.394 -8.671 3.244 79 HB2 ASP 10 2HB ASP 10 -3.057 -7.958 5.005 80 HB3 ASP 10 1HB ASP 10 -4.291 -7.931 3.752 81 H SER 11 H SER 11 -3.371 -10.469 2.380 82 HA SER 11 HA SER 11 -3.279 -10.105 -0.451 83 HB2 SER 11 2HB SER 11 -4.505 -12.345 -0.380 84 HB3 SER 11 1HB SER 11 -2.894 -12.333 0.337 85 HG SER 11 HG SER 11 -5.137 -13.067 1.444 86 H GLU 12 H GLU 12 -5.589 -10.020 2.172 87 HA GLU 12 HA GLU 12 -7.772 -9.392 0.386 88 HB2 GLU 12 2HB GLU 12 -7.651 -9.543 3.391 89 HB3 GLU 12 1HB GLU 12 -9.103 -9.217 2.454 90 HG2 GLU 12 2HG GLU 12 -7.459 -11.727 2.356 91 HG3 GLU 12 1HG GLU 12 -9.032 -11.524 3.134 92 H ARG 13 H ARG 13 -6.042 -7.720 3.010 93 HA ARG 13 HA ARG 13 -7.287 -5.186 2.381 94 HB2 ARG 13 2HB ARG 13 -4.853 -5.855 4.023 95 HB3 ARG 13 1HB ARG 13 -5.540 -4.246 3.898 96 HG2 ARG 13 2HG ARG 13 -7.002 -6.612 4.906 97 HG3 ARG 13 1HG ARG 13 -6.064 -5.563 5.993 98 HD2 ARG 13 2HD ARG 13 -8.236 -4.754 6.198 99 HD3 ARG 13 1HD ARG 13 -7.573 -3.720 4.940 100 HE ARG 13 HE ARG 13 -8.777 -5.995 3.825 101 HH11 ARG 13 1HH1 ARG 13 -9.584 -2.879 5.333 102 HH12 ARG 13 2HH1 ARG 13 -11.138 -2.787 4.643 103 HH21 ARG 13 1HH2 ARG 13 -10.964 -5.866 2.900 104 HH22 ARG 13 2HH2 ARG 13 -11.929 -4.509 3.240 105 H LYS 14 H LYS 14 -6.775 -4.273 0.560 106 HA LYS 14 HA LYS 14 -4.013 -4.535 -0.396 107 HB2 LYS 14 2HB LYS 14 -4.804 -4.013 -2.658 108 HB3 LYS 14 1HB LYS 14 -5.547 -5.455 -1.992 109 HG2 LYS 14 2HG LYS 14 -7.583 -4.215 -1.538 110 HG3 LYS 14 1HG LYS 14 -6.832 -2.739 -2.158 111 HD2 LYS 14 2HD LYS 14 -6.505 -3.824 -4.316 112 HD3 LYS 14 1HD LYS 14 -7.295 -5.279 -3.708 113 HE2 LYS 14 2HE LYS 14 -9.350 -4.019 -3.366 114 HE3 LYS 14 1HE LYS 14 -8.543 -2.553 -3.929 115 HZ1 LYS 14 1HZ LYS 14 -8.185 -3.630 -6.052 116 HZ2 LYS 14 2HZ LYS 14 -9.824 -3.516 -5.697 117 HZ3 LYS 14 3HZ LYS 14 -9.034 -4.995 -5.539 118 H CYS 15 H CYS 15 -2.866 -2.796 -1.218 119 HA CYS 15 HA CYS 15 -3.335 -0.330 0.121 120 HB2 CYS 15 2HB CYS 15 -1.388 -0.941 -2.111 121 HB3 CYS 15 1HB CYS 15 -1.341 0.456 -1.041 122 H CYS 16 H CYS 16 -3.443 1.777 -1.023 123 HA CYS 16 HA CYS 16 -5.744 1.707 -2.701 124 HB2 CYS 16 2HB CYS 16 -4.931 3.467 -0.884 125 HB3 CYS 16 1HB CYS 16 -4.132 4.165 -2.265 126 H LYS 17 H LYS 17 -5.728 3.312 -4.618 127 HA LYS 17 HA LYS 17 -4.040 2.283 -6.632 128 HB2 LYS 17 2HB LYS 17 -6.352 3.096 -7.007 129 HB3 LYS 17 1HB LYS 17 -5.815 4.727 -6.653 130 HG2 LYS 17 2HG LYS 17 -4.385 4.720 -8.598 131 HG3 LYS 17 1HG LYS 17 -4.815 3.042 -8.933 132 HD2 LYS 17 2HD LYS 17 -7.166 3.721 -9.202 133 HD3 LYS 17 1HD LYS 17 -6.697 5.399 -8.922 134 HE2 LYS 17 2HE LYS 17 -5.647 3.656 -11.137 135 HE3 LYS 17 1HE LYS 17 -6.952 4.822 -11.315 136 HZ1 LYS 17 1HZ LYS 17 -5.443 6.585 -10.773 137 HZ2 LYS 17 2HZ LYS 17 -4.801 5.673 -12.043 138 HZ3 LYS 17 3HZ LYS 17 -4.177 5.503 -10.487 139 H GLY 18 H GLY 18 -2.089 2.942 -7.226 140 HA2 GLY 18 2HA GLY 18 -0.405 4.522 -7.702 141 HA3 GLY 18 1HA GLY 18 -1.177 5.658 -6.600 142 H MET 19 H MET 19 -1.141 2.606 -5.345 143 HA MET 19 HA MET 19 1.362 3.059 -3.880 144 HB2 MET 19 2HB MET 19 -1.220 1.851 -2.887 145 HB3 MET 19 1HB MET 19 0.298 1.793 -2.011 146 HG2 MET 19 2HG MET 19 0.312 4.155 -1.787 147 HG3 MET 19 1HG MET 19 -1.156 4.317 -2.769 148 HE1 MET 19 1HE MET 19 -2.315 5.750 -0.871 149 HE2 MET 19 2HE MET 19 -0.842 5.648 0.094 150 HE3 MET 19 3HE MET 19 -2.401 5.257 0.819 151 H VAL 20 H VAL 20 2.387 1.170 -3.191 152 HA VAL 20 HA VAL 20 1.965 -1.124 -4.970 153 HB VAL 20 HB VAL 20 4.372 -0.357 -3.276 154 HG11 VAL 20 1HG1 VAL 20 4.104 -2.523 -5.357 155 HG12 VAL 20 2HG1 VAL 20 4.217 -2.764 -3.617 156 HG13 VAL 20 3HG1 VAL 20 5.584 -2.088 -4.502 157 HG21 VAL 20 1HG2 VAL 20 5.483 0.202 -5.398 158 HG22 VAL 20 2HG2 VAL 20 4.068 1.217 -5.109 159 HG23 VAL 20 3HG2 VAL 20 3.976 -0.117 -6.258 160 H CYS 21 H CYS 21 1.069 -2.879 -4.052 161 HA CYS 21 HA CYS 21 0.615 -2.977 -1.223 162 HB2 CYS 21 2HB CYS 21 -1.034 -3.856 -2.941 163 HB3 CYS 21 1HB CYS 21 0.107 -5.149 -3.277 164 H ARG 22 H ARG 22 2.174 -3.454 0.049 165 HA ARG 22 HA ARG 22 4.042 -5.557 -0.637 166 HB2 ARG 22 2HB ARG 22 4.724 -3.238 -1.442 167 HB3 ARG 22 1HB ARG 22 4.855 -2.800 0.245 168 HG2 ARG 22 2HG ARG 22 6.672 -4.276 0.570 169 HG3 ARG 22 1HG ARG 22 6.400 -5.044 -1.003 170 HD2 ARG 22 2HD ARG 22 6.876 -2.936 -2.101 171 HD3 ARG 22 1HD ARG 22 7.159 -2.182 -0.531 172 HE ARG 22 HE ARG 22 8.876 -4.286 -0.579 173 HH11 ARG 22 1HH1 ARG 22 8.365 -1.632 -2.892 174 HH12 ARG 22 2HH1 ARG 22 10.011 -1.527 -3.297 175 HH21 ARG 22 1HH2 ARG 22 11.079 -4.146 -1.189 176 HH22 ARG 22 2HH2 ARG 22 11.591 -2.985 -2.326 177 H LEU 23 H LEU 23 5.661 -5.371 1.514 178 HA LEU 23 HA LEU 23 4.316 -6.277 3.745 179 HB2 LEU 23 2HB LEU 23 7.057 -4.997 3.601 180 HB3 LEU 23 1HB LEU 23 6.439 -5.802 5.022 181 HG LEU 23 HG LEU 23 7.935 -7.295 4.015 182 HD11 LEU 23 1HD1 LEU 23 5.948 -8.386 4.781 183 HD12 LEU 23 2HD1 LEU 23 6.616 -9.217 3.378 184 HD13 LEU 23 3HD1 LEU 23 5.197 -8.188 3.198 185 HD21 LEU 23 1HD2 LEU 23 8.123 -6.258 1.810 186 HD22 LEU 23 2HD2 LEU 23 6.546 -6.914 1.358 187 HD23 LEU 23 3HD2 LEU 23 7.893 -7.999 1.682 188 H TRP 24 H TRP 24 4.754 -3.093 2.653 189 HA TRP 24 HA TRP 24 3.015 -2.208 4.689 190 HB2 TRP 24 2HB TRP 24 4.271 -0.219 5.254 191 HB3 TRP 24 1HB TRP 24 5.365 -1.579 5.462 192 HD1 TRP 24 HD TRP 24 4.927 1.607 3.751 193 HE1 TRP 24 1HE TRP 24 6.996 2.135 2.198 194 HE3 TRP 24 3HE TRP 24 7.136 -2.938 3.854 195 HZ2 TRP 24 2HZ TRP 24 9.221 0.705 1.176 196 HZ3 TRP 24 3HZ TRP 24 9.207 -3.318 2.575 197 HH2 TRP 24 HH TRP 24 10.220 -1.531 1.268 198 H CYS 25 H CYS 25 1.905 -0.130 3.809 199 HA CYS 25 HA CYS 25 1.761 -0.430 0.954 200 HB2 CYS 25 2HB CYS 25 0.131 1.165 2.907 201 HB3 CYS 25 1HB CYS 25 -0.030 1.387 1.168 202 H LYS 26 H LYS 26 2.970 0.576 -0.351 203 HA LYS 26 HA LYS 26 4.139 3.054 0.613 204 HB2 LYS 26 2HB LYS 26 5.797 1.300 0.286 205 HB3 LYS 26 1HB LYS 26 5.281 1.109 -1.387 206 HG2 LYS 26 2HG LYS 26 6.033 3.298 -1.943 207 HG3 LYS 26 1HG LYS 26 6.360 3.664 -0.254 208 HD2 LYS 26 2HD LYS 26 8.088 1.900 -0.247 209 HD3 LYS 26 1HD LYS 26 7.778 1.623 -1.965 210 HE2 LYS 26 2HE LYS 26 8.435 3.888 -2.488 211 HE3 LYS 26 1HE LYS 26 8.627 4.252 -0.777 212 HZ1 LYS 26 1HZ LYS 26 10.426 2.646 -0.681 213 HZ2 LYS 26 2HZ LYS 26 10.749 3.805 -1.854 214 HZ3 LYS 26 3HZ LYS 26 10.212 2.273 -2.298 215 H LYS 27 H LYS 27 3.381 4.779 -0.295 216 HA LYS 27 HA LYS 27 2.080 4.622 -2.866 217 HB2 LYS 27 2HB LYS 27 1.707 7.089 -2.580 218 HB3 LYS 27 1HB LYS 27 1.020 6.119 -1.293 219 HG2 LYS 27 2HG LYS 27 2.884 6.695 0.150 220 HG3 LYS 27 1HG LYS 27 3.609 7.643 -1.153 221 HD2 LYS 27 2HD LYS 27 1.711 9.147 -1.149 222 HD3 LYS 27 1HD LYS 27 0.898 8.160 0.063 223 HE2 LYS 27 2HE LYS 27 1.919 10.144 1.077 224 HE3 LYS 27 1HE LYS 27 2.654 8.661 1.677 225 HZ1 LYS 27 1HZ LYS 27 3.835 10.464 -0.392 226 HZ2 LYS 27 2HZ LYS 27 4.501 9.027 0.132 227 HZ3 LYS 27 3HZ LYS 27 4.342 10.296 1.205 228 H LYS 28 H LYS 28 2.718 5.851 -4.670 229 HA LYS 28 HA LYS 28 5.335 5.371 -5.379 230 HB2 LYS 28 2HB LYS 28 4.945 6.524 -7.433 231 HB3 LYS 28 1HB LYS 28 3.488 5.657 -6.996 232 HG2 LYS 28 2HG LYS 28 3.894 8.608 -6.547 233 HG3 LYS 28 1HG LYS 28 3.145 7.948 -7.984 234 HD2 LYS 28 2HD LYS 28 1.415 6.916 -6.479 235 HD3 LYS 28 1HD LYS 28 2.149 7.809 -5.144 236 HE2 LYS 28 2HE LYS 28 1.028 9.037 -7.659 237 HE3 LYS 28 1HE LYS 28 0.197 8.974 -6.107 238 HZ1 LYS 28 1HZ LYS 28 1.220 11.101 -6.496 239 HZ2 LYS 28 2HZ LYS 28 2.759 10.434 -6.641 240 HZ3 LYS 28 3HZ LYS 28 1.921 10.359 -5.160 241 H LEU 29 H LEU 29 7.103 6.662 -5.864 242 HA LEU 29 HA LEU 29 7.586 8.798 -3.994 243 HB2 LEU 29 2HB LEU 29 9.326 7.574 -6.136 244 HB3 LEU 29 1HB LEU 29 9.867 8.740 -4.948 245 HG LEU 29 HG LEU 29 8.836 5.978 -4.278 246 HD11 LEU 29 1HD1 LEU 29 11.169 5.428 -3.824 247 HD12 LEU 29 2HD1 LEU 29 11.663 7.018 -4.405 248 HD13 LEU 29 3HD1 LEU 29 10.933 5.858 -5.516 249 HD21 LEU 29 1HD2 LEU 29 8.533 7.619 -2.489 250 HD22 LEU 29 2HD2 LEU 29 10.237 8.054 -2.596 251 HD23 LEU 29 3HD2 LEU 29 9.774 6.436 -2.073 252 H TRP 30 H TRP 30 6.206 8.641 -6.986 253 HA TRP 30 HA TRP 30 6.739 11.460 -7.470 254 HB2 TRP 30 2HB TRP 30 8.202 9.853 -8.878 255 HB3 TRP 30 1HB TRP 30 6.708 9.434 -9.702 256 HD1 TRP 30 HD TRP 30 5.449 11.631 -10.929 257 HE1 TRP 30 1HE TRP 30 6.562 13.558 -12.203 258 HE3 TRP 30 3HE TRP 30 10.155 11.224 -9.021 259 HZ2 TRP 30 2HZ TRP 30 9.118 14.755 -12.370 260 HZ3 TRP 30 3HZ TRP 30 11.886 12.799 -9.787 261 HH2 TRP 30 HH TRP 30 11.371 14.529 -11.431 Start of MODEL 15 1 H1 TYR 1 1HT TYR 1 -12.472 1.292 5.777 2 H2 TYR 1 2HT TYR 1 -11.048 0.361 5.864 3 H3 TYR 1 3HT TYR 1 -12.139 0.100 4.626 4 HA TYR 1 HA TYR 1 -11.741 2.292 3.757 5 HB2 TYR 1 2HB TYR 1 -9.647 2.392 5.942 6 HB3 TYR 1 1HB TYR 1 -9.788 3.549 4.630 7 HD1 TYR 1 1HD TYR 1 -10.857 2.683 7.941 8 HD2 TYR 1 2HD TYR 1 -11.932 4.912 4.476 9 HE1 TYR 1 1HE TYR 1 -12.399 4.020 9.281 10 HE2 TYR 1 2HE TYR 1 -13.473 6.255 5.816 11 HH TYR 1 HH TYR 1 -13.451 6.248 9.177 12 H CYS 2 H CYS 2 -9.708 2.812 2.553 13 HA CYS 2 HA CYS 2 -8.459 0.402 1.565 14 HB2 CYS 2 2HB CYS 2 -9.251 2.226 0.049 15 HB3 CYS 2 1HB CYS 2 -8.143 3.329 0.852 16 H GLN 3 H GLN 3 -5.998 0.481 1.383 17 HA GLN 3 HA GLN 3 -5.036 1.124 4.042 18 HB2 GLN 3 2HB GLN 3 -3.448 -0.161 1.815 19 HB3 GLN 3 1HB GLN 3 -3.030 -0.080 3.503 20 HG2 GLN 3 2HG GLN 3 -5.247 -1.692 2.279 21 HG3 GLN 3 1HG GLN 3 -3.759 -2.290 3.000 22 HE21 GLN 3 1HE2 GLN 3 -3.526 -2.165 5.250 23 HE22 GLN 3 2HE2 GLN 3 -4.905 -2.042 6.281 24 H LYS 4 H LYS 4 -3.744 2.692 4.542 25 HA LYS 4 HA LYS 4 -3.110 4.666 2.497 26 HB2 LYS 4 2HB LYS 4 -2.891 4.826 5.501 27 HB3 LYS 4 1HB LYS 4 -2.637 6.155 4.381 28 HG2 LYS 4 2HG LYS 4 -4.963 6.027 3.689 29 HG3 LYS 4 1HG LYS 4 -5.224 4.673 4.793 30 HD2 LYS 4 2HD LYS 4 -4.618 6.124 6.674 31 HD3 LYS 4 1HD LYS 4 -4.402 7.474 5.556 32 HE2 LYS 4 2HE LYS 4 -6.754 7.268 4.886 33 HE3 LYS 4 1HE LYS 4 -6.957 5.948 6.035 34 HZ1 LYS 4 1HZ LYS 4 -6.225 8.735 6.704 35 HZ2 LYS 4 2HZ LYS 4 -6.435 7.479 7.827 36 HZ3 LYS 4 3HZ LYS 4 -7.738 8.028 6.905 37 H TRP 5 H TRP 5 -1.023 5.888 3.034 38 HA TRP 5 HA TRP 5 1.258 4.303 2.556 39 HB2 TRP 5 2HB TRP 5 2.505 6.446 2.892 40 HB3 TRP 5 1HB TRP 5 1.124 6.622 1.809 41 HD1 TRP 5 HD TRP 5 2.504 7.840 5.129 42 HE1 TRP 5 1HE TRP 5 0.969 9.678 6.087 43 HE3 TRP 5 3HE TRP 5 -1.410 7.439 1.845 44 HZ2 TRP 5 2HZ TRP 5 -1.563 10.789 5.527 45 HZ3 TRP 5 3HZ TRP 5 -3.337 8.919 2.139 46 HH2 TRP 5 HH TRP 5 -3.412 10.552 3.931 47 H MET 6 H MET 6 -0.241 5.367 5.408 48 HA MET 6 HA MET 6 1.917 4.925 7.262 49 HB2 MET 6 2HB MET 6 0.294 6.571 7.793 50 HB3 MET 6 1HB MET 6 -1.041 5.472 7.513 51 HG2 MET 6 2HG MET 6 -0.263 4.158 9.486 52 HG3 MET 6 1HG MET 6 0.933 5.416 9.766 53 HE1 MET 6 1HE MET 6 -1.329 8.504 10.585 54 HE2 MET 6 2HE MET 6 -0.690 8.058 9.007 55 HE3 MET 6 3HE MET 6 0.324 7.906 10.444 56 H TRP 7 H TRP 7 -0.401 3.050 5.693 57 HA TRP 7 HA TRP 7 -0.661 1.060 7.816 58 HB2 TRP 7 2HB TRP 7 -2.228 1.446 5.249 59 HB3 TRP 7 1HB TRP 7 -2.537 0.177 6.421 60 HD1 TRP 7 HD TRP 7 -1.814 3.593 7.886 61 HE1 TRP 7 1HE TRP 7 -3.992 4.633 8.796 62 HE3 TRP 7 3HE TRP 7 -5.171 0.267 5.972 63 HZ2 TRP 7 2HZ TRP 7 -6.739 4.120 8.708 64 HZ3 TRP 7 3HZ TRP 7 -7.540 0.618 6.417 65 HH2 TRP 7 HH TRP 7 -8.316 2.508 7.768 66 H THR 8 H THR 8 -1.079 -1.215 6.620 67 HA THR 8 HA THR 8 1.135 -1.686 4.768 68 HB THR 8 HB THR 8 1.521 -3.828 5.933 69 HG1 THR 8 1HG THR 8 -0.306 -4.433 6.893 70 HG21 THR 8 1HG2 THR 8 1.493 -1.518 7.891 71 HG22 THR 8 2HG2 THR 8 2.784 -1.857 6.746 72 HG23 THR 8 3HG2 THR 8 2.446 -2.995 8.052 73 H CYS 9 H CYS 9 0.639 -3.950 3.467 74 HA CYS 9 HA CYS 9 -2.221 -4.360 3.615 75 HB2 CYS 9 2HB CYS 9 -2.371 -4.490 1.148 76 HB3 CYS 9 1HB CYS 9 -1.953 -2.887 1.741 77 H ASP 10 H ASP 10 -2.647 -6.273 1.833 78 HA ASP 10 HA ASP 10 -0.816 -8.441 2.140 79 HB2 ASP 10 2HB ASP 10 -1.996 -8.241 4.394 80 HB3 ASP 10 1HB ASP 10 -3.518 -8.477 3.550 81 H SER 11 H SER 11 -2.770 -10.424 1.514 82 HA SER 11 HA SER 11 -3.532 -9.600 -1.143 83 HB2 SER 11 2HB SER 11 -4.073 -12.178 0.342 84 HB3 SER 11 1HB SER 11 -4.204 -11.925 -1.402 85 HG SER 11 HG SER 11 -1.801 -11.154 -0.770 86 H GLU 12 H GLU 12 -4.891 -10.039 1.991 87 HA GLU 12 HA GLU 12 -7.629 -9.824 1.112 88 HB2 GLU 12 2HB GLU 12 -6.461 -9.667 3.898 89 HB3 GLU 12 1HB GLU 12 -8.171 -9.790 3.505 90 HG2 GLU 12 2HG GLU 12 -7.786 -11.972 2.498 91 HG3 GLU 12 1HG GLU 12 -6.074 -11.855 2.902 92 H ARG 13 H ARG 13 -5.493 -7.813 3.129 93 HA ARG 13 HA ARG 13 -7.152 -5.488 2.919 94 HB2 ARG 13 2HB ARG 13 -4.315 -5.899 3.816 95 HB3 ARG 13 1HB ARG 13 -5.068 -4.311 3.801 96 HG2 ARG 13 2HG ARG 13 -6.134 -6.660 5.313 97 HG3 ARG 13 1HG ARG 13 -4.981 -5.512 6.013 98 HD2 ARG 13 2HD ARG 13 -7.143 -4.822 6.734 99 HD3 ARG 13 1HD ARG 13 -6.682 -3.715 5.450 100 HE ARG 13 HE ARG 13 -8.184 -5.943 4.513 101 HH11 ARG 13 1HH1 ARG 13 -8.498 -2.722 5.981 102 HH12 ARG 13 2HH1 ARG 13 -10.101 -2.502 5.459 103 HH21 ARG 13 1HH2 ARG 13 -10.398 -5.619 3.832 104 HH22 ARG 13 2HH2 ARG 13 -11.184 -4.149 4.198 105 H LYS 14 H LYS 14 -7.381 -4.428 1.141 106 HA LYS 14 HA LYS 14 -5.317 -4.600 -0.889 107 HB2 LYS 14 2HB LYS 14 -6.890 -3.571 -2.488 108 HB3 LYS 14 1HB LYS 14 -7.510 -5.051 -1.797 109 HG2 LYS 14 2HG LYS 14 -8.336 -2.333 -0.803 110 HG3 LYS 14 1HG LYS 14 -9.120 -3.115 -2.171 111 HD2 LYS 14 2HD LYS 14 -9.685 -5.026 -0.705 112 HD3 LYS 14 1HD LYS 14 -8.978 -4.164 0.661 113 HE2 LYS 14 2HE LYS 14 -10.572 -2.352 0.360 114 HE3 LYS 14 1HE LYS 14 -11.268 -3.180 -1.030 115 HZ1 LYS 14 1HZ LYS 14 -11.892 -5.008 0.466 116 HZ2 LYS 14 2HZ LYS 14 -12.598 -3.547 0.922 117 HZ3 LYS 14 3HZ LYS 14 -11.285 -4.143 1.778 118 H CYS 15 H CYS 15 -4.102 -3.036 -1.592 119 HA CYS 15 HA CYS 15 -4.090 -0.640 0.050 120 HB2 CYS 15 2HB CYS 15 -2.037 -2.155 -0.360 121 HB3 CYS 15 1HB CYS 15 -2.009 -1.468 -1.975 122 H CYS 16 H CYS 16 -3.739 1.457 -1.062 123 HA CYS 16 HA CYS 16 -5.708 1.720 -3.091 124 HB2 CYS 16 2HB CYS 16 -3.814 3.729 -1.891 125 HB3 CYS 16 1HB CYS 16 -5.097 4.132 -3.021 126 H LYS 17 H LYS 17 -5.489 2.468 -5.197 127 HA LYS 17 HA LYS 17 -3.122 1.672 -6.544 128 HB2 LYS 17 2HB LYS 17 -5.520 3.246 -7.519 129 HB3 LYS 17 1HB LYS 17 -4.228 2.666 -8.562 130 HG2 LYS 17 2HG LYS 17 -4.781 0.355 -7.947 131 HG3 LYS 17 1HG LYS 17 -6.089 0.954 -6.926 132 HD2 LYS 17 2HD LYS 17 -7.183 1.920 -8.885 133 HD3 LYS 17 1HD LYS 17 -5.854 1.357 -9.903 134 HE2 LYS 17 2HE LYS 17 -6.384 -0.957 -9.308 135 HE3 LYS 17 1HE LYS 17 -7.702 -0.391 -8.288 136 HZ1 LYS 17 1HZ LYS 17 -8.792 0.500 -10.286 137 HZ2 LYS 17 2HZ LYS 17 -8.487 -1.154 -10.410 138 HZ3 LYS 17 3HZ LYS 17 -7.511 -0.074 -11.232 139 H GLY 18 H GLY 18 -1.464 2.898 -7.171 140 HA2 GLY 18 2HA GLY 18 -0.374 5.016 -7.485 141 HA3 GLY 18 1HA GLY 18 -1.507 5.708 -6.318 142 H MET 19 H MET 19 -0.860 2.738 -5.223 143 HA MET 19 HA MET 19 1.592 3.422 -3.786 144 HB2 MET 19 2HB MET 19 -0.871 2.043 -2.679 145 HB3 MET 19 1HB MET 19 0.653 2.222 -1.830 146 HG2 MET 19 2HG MET 19 0.383 4.564 -1.711 147 HG3 MET 19 1HG MET 19 -1.084 4.518 -2.709 148 HE1 MET 19 1HE MET 19 -2.513 5.534 0.733 149 HE2 MET 19 2HE MET 19 -2.483 5.850 -1.000 150 HE3 MET 19 3HE MET 19 -1.021 6.073 -0.038 151 H VAL 20 H VAL 20 2.713 1.484 -3.126 152 HA VAL 20 HA VAL 20 2.096 -0.746 -4.923 153 HB VAL 20 HB VAL 20 4.716 -0.071 -3.519 154 HG11 VAL 20 1HG1 VAL 20 4.444 -2.480 -3.841 155 HG12 VAL 20 2HG1 VAL 20 5.693 -1.842 -4.914 156 HG13 VAL 20 3HG1 VAL 20 4.094 -2.220 -5.550 157 HG21 VAL 20 1HG2 VAL 20 5.565 0.470 -5.749 158 HG22 VAL 20 2HG2 VAL 20 4.197 1.502 -5.324 159 HG23 VAL 20 3HG2 VAL 20 3.973 0.154 -6.436 160 H CYS 21 H CYS 21 1.395 -2.534 -4.033 161 HA CYS 21 HA CYS 21 1.002 -2.596 -1.190 162 HB2 CYS 21 2HB CYS 21 -0.745 -3.354 -2.855 163 HB3 CYS 21 1HB CYS 21 0.294 -4.728 -3.223 164 H ARG 22 H ARG 22 2.018 -3.919 0.231 165 HA ARG 22 HA ARG 22 3.865 -5.946 -0.477 166 HB2 ARG 22 2HB ARG 22 4.893 -3.649 -1.108 167 HB3 ARG 22 1HB ARG 22 4.992 -3.380 0.616 168 HG2 ARG 22 2HG ARG 22 6.563 -5.115 0.891 169 HG3 ARG 22 1HG ARG 22 6.272 -5.733 -0.743 170 HD2 ARG 22 2HD ARG 22 7.076 -3.630 -1.657 171 HD3 ARG 22 1HD ARG 22 7.403 -3.055 -0.021 172 HE ARG 22 HE ARG 22 8.736 -5.454 -0.338 173 HH11 ARG 22 1HH1 ARG 22 8.862 -2.227 -1.786 174 HH12 ARG 22 2HH1 ARG 22 10.516 -2.331 -2.170 175 HH21 ARG 22 1HH2 ARG 22 11.022 -5.552 -0.850 176 HH22 ARG 22 2HH2 ARG 22 11.760 -4.221 -1.596 177 H LEU 23 H LEU 23 5.343 -5.937 1.859 178 HA LEU 23 HA LEU 23 3.642 -6.655 3.924 179 HB2 LEU 23 2HB LEU 23 6.496 -5.666 4.120 180 HB3 LEU 23 1HB LEU 23 5.608 -6.302 5.482 181 HG LEU 23 HG LEU 23 5.421 -8.466 4.148 182 HD11 LEU 23 1HD1 LEU 23 7.576 -7.158 2.532 183 HD12 LEU 23 2HD1 LEU 23 5.977 -7.648 1.965 184 HD13 LEU 23 3HD1 LEU 23 7.146 -8.866 2.476 185 HD21 LEU 23 1HD2 LEU 23 8.142 -7.539 5.044 186 HD22 LEU 23 2HD2 LEU 23 7.649 -9.214 4.809 187 HD23 LEU 23 3HD2 LEU 23 6.885 -8.240 6.062 188 H TRP 24 H TRP 24 4.653 -3.543 2.907 189 HA TRP 24 HA TRP 24 2.876 -2.402 4.848 190 HB2 TRP 24 2HB TRP 24 4.356 -0.617 5.407 191 HB3 TRP 24 1HB TRP 24 5.335 -2.067 5.535 192 HD1 TRP 24 HD TRP 24 5.108 1.214 3.878 193 HE1 TRP 24 1HE TRP 24 7.127 1.602 2.296 194 HE3 TRP 24 3HE TRP 24 7.005 -3.500 3.825 195 HZ2 TRP 24 2HZ TRP 24 9.212 0.101 1.183 196 HZ3 TRP 24 3HZ TRP 24 9.021 -3.948 2.476 197 HH2 TRP 24 HH TRP 24 10.094 -2.181 1.187 198 H CYS 25 H CYS 25 2.091 -0.182 3.901 199 HA CYS 25 HA CYS 25 2.040 -0.427 1.009 200 HB2 CYS 25 2HB CYS 25 0.341 1.058 2.972 201 HB3 CYS 25 1HB CYS 25 0.401 1.590 1.296 202 H LYS 26 H LYS 26 3.001 0.916 -0.326 203 HA LYS 26 HA LYS 26 4.236 3.266 0.863 204 HB2 LYS 26 2HB LYS 26 5.940 1.532 0.657 205 HB3 LYS 26 1HB LYS 26 5.565 1.358 -1.055 206 HG2 LYS 26 2HG LYS 26 6.311 3.563 -1.512 207 HG3 LYS 26 1HG LYS 26 6.488 3.903 0.199 208 HD2 LYS 26 2HD LYS 26 8.238 2.162 0.323 209 HD3 LYS 26 1HD LYS 26 8.069 1.906 -1.415 210 HE2 LYS 26 2HE LYS 26 8.726 4.189 -1.851 211 HE3 LYS 26 1HE LYS 26 8.796 4.516 -0.123 212 HZ1 LYS 26 1HZ LYS 26 10.569 2.941 0.089 213 HZ2 LYS 26 2HZ LYS 26 10.982 4.103 -1.062 214 HZ3 LYS 26 3HZ LYS 26 10.504 2.559 -1.547 215 H LYS 27 H LYS 27 3.731 5.028 -0.191 216 HA LYS 27 HA LYS 27 2.107 4.811 -2.521 217 HB2 LYS 27 2HB LYS 27 1.845 7.212 -2.377 218 HB3 LYS 27 1HB LYS 27 1.599 6.461 -0.818 219 HG2 LYS 27 2HG LYS 27 4.051 7.101 -0.344 220 HG3 LYS 27 1HG LYS 27 3.900 8.144 -1.754 221 HD2 LYS 27 2HD LYS 27 2.195 8.256 0.741 222 HD3 LYS 27 1HD LYS 27 3.459 9.392 0.293 223 HE2 LYS 27 2HE LYS 27 0.895 8.911 -1.233 224 HE3 LYS 27 1HE LYS 27 1.200 10.264 -0.153 225 HZ1 LYS 27 1HZ LYS 27 2.573 9.699 -2.730 226 HZ2 LYS 27 2HZ LYS 27 3.019 10.941 -1.674 227 HZ3 LYS 27 3HZ LYS 27 1.498 10.936 -2.381 228 H LYS 28 H LYS 28 2.443 5.502 -4.533 229 HA LYS 28 HA LYS 28 5.205 5.306 -5.434 230 HB2 LYS 28 2HB LYS 28 3.168 4.107 -6.496 231 HB3 LYS 28 1HB LYS 28 2.705 5.683 -7.102 232 HG2 LYS 28 2HG LYS 28 3.809 4.617 -8.887 233 HG3 LYS 28 1HG LYS 28 4.987 5.758 -8.235 234 HD2 LYS 28 2HD LYS 28 6.054 3.958 -6.980 235 HD3 LYS 28 1HD LYS 28 4.852 2.817 -7.569 236 HE2 LYS 28 2HE LYS 28 6.837 2.514 -8.868 237 HE3 LYS 28 1HE LYS 28 5.640 3.294 -9.892 238 HZ1 LYS 28 1HZ LYS 28 6.817 5.428 -9.563 239 HZ2 LYS 28 2HZ LYS 28 7.837 4.244 -10.144 240 HZ3 LYS 28 3HZ LYS 28 7.896 4.645 -8.518 241 H LEU 29 H LEU 29 6.303 7.142 -5.623 242 HA LEU 29 HA LEU 29 5.068 9.687 -5.298 243 HB2 LEU 29 2HB LEU 29 7.855 9.062 -6.277 244 HB3 LEU 29 1HB LEU 29 7.301 10.590 -5.624 245 HG LEU 29 HG LEU 29 7.580 8.003 -4.095 246 HD11 LEU 29 1HD1 LEU 29 9.712 9.015 -4.604 247 HD12 LEU 29 2HD1 LEU 29 9.344 9.162 -2.885 248 HD13 LEU 29 3HD1 LEU 29 9.158 10.556 -3.949 249 HD21 LEU 29 1HD2 LEU 29 7.049 9.356 -2.109 250 HD22 LEU 29 2HD2 LEU 29 5.703 9.270 -3.239 251 HD23 LEU 29 3HD2 LEU 29 6.690 10.729 -3.158 252 H TRP 30 H TRP 30 6.595 8.033 -7.973 253 HA TRP 30 HA TRP 30 4.847 9.315 -9.847 254 HB2 TRP 30 2HB TRP 30 6.854 10.840 -9.677 255 HB3 TRP 30 1HB TRP 30 7.859 9.486 -10.160 256 HD1 TRP 30 HD TRP 30 5.307 11.953 -11.537 257 HE1 TRP 30 1HE TRP 30 5.474 11.968 -14.112 258 HE3 TRP 30 3HE TRP 30 8.520 8.043 -12.175 259 HZ2 TRP 30 2HZ TRP 30 6.777 10.513 -16.135 260 HZ3 TRP 30 3HZ TRP 30 9.183 7.416 -14.463 261 HH2 TRP 30 HH TRP 30 8.322 8.631 -16.400 Start of MODEL 16 1 H1 TYR 1 1HT TYR 1 -12.892 3.067 3.873 2 H2 TYR 1 2HT TYR 1 -11.256 2.594 3.976 3 H3 TYR 1 3HT TYR 1 -12.317 1.773 2.974 4 HA TYR 1 HA TYR 1 -12.608 3.556 1.539 5 HB2 TYR 1 2HB TYR 1 -10.577 5.043 3.242 6 HB3 TYR 1 1HB TYR 1 -11.355 5.631 1.785 7 HD1 TYR 1 1HD TYR 1 -11.755 5.003 5.370 8 HD2 TYR 1 2HD TYR 1 -13.678 6.418 1.841 9 HE1 TYR 1 1HE TYR 1 -13.501 5.988 6.731 10 HE2 TYR 1 2HE TYR 1 -15.442 7.420 3.218 11 HH TYR 1 HH TYR 1 -16.413 7.034 5.506 12 H CYS 2 H CYS 2 -9.303 3.576 2.972 13 HA CYS 2 HA CYS 2 -8.370 1.866 0.873 14 HB2 CYS 2 2HB CYS 2 -7.652 4.772 1.022 15 HB3 CYS 2 1HB CYS 2 -6.540 3.599 0.327 16 H GLN 3 H GLN 3 -6.435 0.926 1.370 17 HA GLN 3 HA GLN 3 -5.431 1.310 4.038 18 HB2 GLN 3 2HB GLN 3 -4.382 -0.431 1.783 19 HB3 GLN 3 1HB GLN 3 -3.814 -0.478 3.441 20 HG2 GLN 3 2HG GLN 3 -6.587 -1.201 2.505 21 HG3 GLN 3 1HG GLN 3 -5.297 -2.332 2.901 22 HE21 GLN 3 1HE2 GLN 3 -4.382 -0.857 5.196 23 HE22 GLN 3 2HE2 GLN 3 -5.581 -1.003 6.420 24 H LYS 4 H LYS 4 -4.214 2.982 4.376 25 HA LYS 4 HA LYS 4 -2.957 4.474 2.263 26 HB2 LYS 4 2HB LYS 4 -2.847 4.877 5.243 27 HB3 LYS 4 1HB LYS 4 -2.406 6.045 4.011 28 HG2 LYS 4 2HG LYS 4 -4.716 6.205 3.296 29 HG3 LYS 4 1HG LYS 4 -5.178 4.957 4.460 30 HD2 LYS 4 2HD LYS 4 -4.365 6.392 6.284 31 HD3 LYS 4 1HD LYS 4 -3.980 7.642 5.103 32 HE2 LYS 4 2HE LYS 4 -6.346 7.772 4.484 33 HE3 LYS 4 1HE LYS 4 -6.722 6.516 5.663 34 HZ1 LYS 4 1HZ LYS 4 -7.177 8.678 6.579 35 HZ2 LYS 4 2HZ LYS 4 -5.619 9.210 6.265 36 HZ3 LYS 4 3HZ LYS 4 -5.881 7.995 7.405 37 H TRP 5 H TRP 5 -0.754 5.206 2.470 38 HA TRP 5 HA TRP 5 1.275 3.322 2.551 39 HB2 TRP 5 2HB TRP 5 2.791 5.345 2.649 40 HB3 TRP 5 1HB TRP 5 1.554 5.435 1.396 41 HD1 TRP 5 HD TRP 5 2.596 7.067 4.698 42 HE1 TRP 5 1HE TRP 5 1.171 9.194 5.066 43 HE3 TRP 5 3HE TRP 5 -0.677 6.565 0.801 44 HZ2 TRP 5 2HZ TRP 5 -1.001 10.468 3.871 45 HZ3 TRP 5 3HZ TRP 5 -2.391 8.285 0.481 46 HH2 TRP 5 HH TRP 5 -2.547 10.199 1.980 47 H MET 6 H MET 6 -0.141 5.166 5.024 48 HA MET 6 HA MET 6 1.767 5.022 7.092 49 HB2 MET 6 2HB MET 6 -0.058 6.614 7.102 50 HB3 MET 6 1HB MET 6 -1.236 5.317 7.121 51 HG2 MET 6 2HG MET 6 -0.456 4.651 9.337 52 HG3 MET 6 1HG MET 6 0.704 5.976 9.312 53 HE1 MET 6 1HE MET 6 -1.441 5.485 11.631 54 HE2 MET 6 2HE MET 6 -2.006 7.129 11.929 55 HE3 MET 6 3HE MET 6 -0.291 6.821 11.656 56 H TRP 7 H TRP 7 -0.517 2.762 5.839 57 HA TRP 7 HA TRP 7 -0.213 1.025 8.178 58 HB2 TRP 7 2HB TRP 7 -2.379 1.012 6.066 59 HB3 TRP 7 1HB TRP 7 -2.345 -0.036 7.471 60 HD1 TRP 7 HD TRP 7 -1.508 2.405 9.535 61 HE1 TRP 7 1HE TRP 7 -3.342 4.084 10.204 62 HE3 TRP 7 3HE TRP 7 -4.765 1.533 5.774 63 HZ2 TRP 7 2HZ TRP 7 -5.860 4.912 9.247 64 HZ3 TRP 7 3HZ TRP 7 -6.889 2.799 5.698 65 HH2 TRP 7 HH TRP 7 -7.416 4.447 7.412 66 H THR 8 H THR 8 -0.961 -1.392 7.024 67 HA THR 8 HA THR 8 1.133 -1.790 5.053 68 HB THR 8 HB THR 8 1.538 -4.006 6.225 69 HG1 THR 8 1HG THR 8 0.157 -4.552 7.675 70 HG21 THR 8 1HG2 THR 8 3.005 -2.066 6.728 71 HG22 THR 8 2HG2 THR 8 2.756 -3.060 8.156 72 HG23 THR 8 3HG2 THR 8 1.865 -1.554 7.964 73 H CYS 9 H CYS 9 0.625 -3.972 3.627 74 HA CYS 9 HA CYS 9 -2.242 -4.467 3.882 75 HB2 CYS 9 2HB CYS 9 -2.499 -4.525 1.502 76 HB3 CYS 9 1HB CYS 9 -1.734 -3.000 1.927 77 H ASP 10 H ASP 10 -2.725 -6.478 2.362 78 HA ASP 10 HA ASP 10 -0.641 -8.496 2.501 79 HB2 ASP 10 2HB ASP 10 -2.105 -8.388 4.685 80 HB3 ASP 10 1HB ASP 10 -3.373 -9.037 3.647 81 H SER 11 H SER 11 -2.535 -10.627 1.713 82 HA SER 11 HA SER 11 -3.111 -9.557 -0.900 83 HB2 SER 11 2HB SER 11 -3.882 -11.852 -1.459 84 HB3 SER 11 1HB SER 11 -2.257 -11.841 -0.798 85 HG SER 11 HG SER 11 -4.265 -13.232 -0.031 86 H GLU 12 H GLU 12 -4.696 -9.957 2.008 87 HA GLU 12 HA GLU 12 -7.377 -9.901 0.957 88 HB2 GLU 12 2HB GLU 12 -6.346 -9.613 3.778 89 HB3 GLU 12 1HB GLU 12 -8.047 -9.726 3.342 90 HG2 GLU 12 2HG GLU 12 -7.659 -11.940 2.399 91 HG3 GLU 12 1HG GLU 12 -5.956 -11.819 2.821 92 H ARG 13 H ARG 13 -5.659 -7.652 3.155 93 HA ARG 13 HA ARG 13 -7.277 -5.455 2.165 94 HB2 ARG 13 2HB ARG 13 -4.975 -5.533 4.132 95 HB3 ARG 13 1HB ARG 13 -5.846 -4.076 3.698 96 HG2 ARG 13 2HG ARG 13 -7.891 -5.025 4.613 97 HG3 ARG 13 1HG ARG 13 -6.988 -6.494 5.025 98 HD2 ARG 13 2HD ARG 13 -6.339 -3.733 6.071 99 HD3 ARG 13 1HD ARG 13 -7.284 -4.929 6.955 100 HE ARG 13 HE ARG 13 -5.108 -6.312 6.449 101 HH11 ARG 13 1HH1 ARG 13 -5.359 -2.979 7.701 102 HH12 ARG 13 2HH1 ARG 13 -3.923 -3.085 8.590 103 HH21 ARG 13 1HH2 ARG 13 -3.179 -6.433 7.748 104 HH22 ARG 13 2HH2 ARG 13 -2.666 -5.093 8.653 105 H LYS 14 H LYS 14 -6.713 -4.474 0.313 106 HA LYS 14 HA LYS 14 -3.890 -4.602 -0.527 107 HB2 LYS 14 2HB LYS 14 -6.343 -3.941 -2.166 108 HB3 LYS 14 1HB LYS 14 -4.709 -4.113 -2.782 109 HG2 LYS 14 2HG LYS 14 -4.745 -6.494 -2.146 110 HG3 LYS 14 1HG LYS 14 -6.403 -6.298 -1.585 111 HD2 LYS 14 2HD LYS 14 -5.424 -5.888 -4.422 112 HD3 LYS 14 1HD LYS 14 -6.336 -7.275 -3.832 113 HE2 LYS 14 2HE LYS 14 -8.213 -5.734 -3.274 114 HE3 LYS 14 1HE LYS 14 -7.298 -4.413 -3.989 115 HZ1 LYS 14 1HZ LYS 14 -7.338 -5.606 -6.121 116 HZ2 LYS 14 2HZ LYS 14 -8.898 -5.311 -5.549 117 HZ3 LYS 14 3HZ LYS 14 -8.243 -6.844 -5.402 118 H CYS 15 H CYS 15 -2.861 -2.659 -1.194 119 HA CYS 15 HA CYS 15 -3.879 -0.218 -0.011 120 HB2 CYS 15 2HB CYS 15 -1.540 -0.469 -1.915 121 HB3 CYS 15 1HB CYS 15 -1.802 0.757 -0.684 122 H CYS 16 H CYS 16 -4.599 1.615 -1.195 123 HA CYS 16 HA CYS 16 -5.820 0.956 -3.685 124 HB2 CYS 16 2HB CYS 16 -5.702 3.547 -2.144 125 HB3 CYS 16 1HB CYS 16 -6.442 3.445 -3.738 126 H LYS 17 H LYS 17 -5.613 2.307 -5.633 127 HA LYS 17 HA LYS 17 -3.149 1.991 -6.796 128 HB2 LYS 17 2HB LYS 17 -5.250 2.163 -8.035 129 HB3 LYS 17 1HB LYS 17 -5.379 3.859 -7.604 130 HG2 LYS 17 2HG LYS 17 -3.377 4.356 -8.891 131 HG3 LYS 17 1HG LYS 17 -3.203 2.645 -9.288 132 HD2 LYS 17 2HD LYS 17 -5.306 2.668 -10.467 133 HD3 LYS 17 1HD LYS 17 -5.580 4.351 -10.018 134 HE2 LYS 17 2HE LYS 17 -3.346 3.288 -11.741 135 HE3 LYS 17 1HE LYS 17 -4.761 4.171 -12.314 136 HZ1 LYS 17 1HZ LYS 17 -3.992 6.104 -11.017 137 HZ2 LYS 17 2HZ LYS 17 -2.836 5.627 -12.144 138 HZ3 LYS 17 3HZ LYS 17 -2.631 5.234 -10.533 139 H GLY 18 H GLY 18 -1.402 3.184 -7.073 140 HA2 GLY 18 2HA GLY 18 -0.258 5.321 -7.132 141 HA3 GLY 18 1HA GLY 18 -1.329 5.869 -5.837 142 H MET 19 H MET 19 -1.150 3.092 -4.792 143 HA MET 19 HA MET 19 1.513 3.145 -3.603 144 HB2 MET 19 2HB MET 19 -1.174 2.580 -2.348 145 HB3 MET 19 1HB MET 19 0.336 2.084 -1.602 146 HG2 MET 19 2HG MET 19 1.039 4.294 -1.302 147 HG3 MET 19 1HG MET 19 -0.247 4.943 -2.328 148 HE1 MET 19 1HE MET 19 -3.407 4.466 -0.085 149 HE2 MET 19 2HE MET 19 -2.826 3.366 -1.329 150 HE3 MET 19 3HE MET 19 -2.767 5.109 -1.597 151 H VAL 20 H VAL 20 2.379 1.086 -3.245 152 HA VAL 20 HA VAL 20 1.080 -0.955 -4.870 153 HB VAL 20 HB VAL 20 3.284 -0.244 -5.748 154 HG11 VAL 20 1HG1 VAL 20 5.369 -0.717 -4.557 155 HG12 VAL 20 2HG1 VAL 20 4.438 -1.170 -3.131 156 HG13 VAL 20 3HG1 VAL 20 4.378 0.487 -3.732 157 HG21 VAL 20 1HG2 VAL 20 4.355 -2.454 -5.924 158 HG22 VAL 20 2HG2 VAL 20 2.606 -2.536 -6.148 159 HG23 VAL 20 3HG2 VAL 20 3.325 -3.038 -4.617 160 H CYS 21 H CYS 21 0.579 -2.825 -3.965 161 HA CYS 21 HA CYS 21 0.467 -2.914 -1.140 162 HB2 CYS 21 2HB CYS 21 -1.257 -3.858 -2.770 163 HB3 CYS 21 1HB CYS 21 -0.142 -5.194 -3.028 164 H ARG 22 H ARG 22 1.911 -3.642 0.175 165 HA ARG 22 HA ARG 22 3.821 -5.673 -0.547 166 HB2 ARG 22 2HB ARG 22 4.747 -3.460 -1.350 167 HB3 ARG 22 1HB ARG 22 4.622 -2.851 0.286 168 HG2 ARG 22 2HG ARG 22 6.898 -3.380 -0.269 169 HG3 ARG 22 1HG ARG 22 6.340 -4.476 0.986 170 HD2 ARG 22 2HD ARG 22 5.951 -6.199 -0.719 171 HD3 ARG 22 1HD ARG 22 6.520 -5.084 -1.964 172 HE ARG 22 HE ARG 22 8.403 -5.406 0.133 173 HH11 ARG 22 1HH1 ARG 22 7.208 -6.980 -2.798 174 HH12 ARG 22 2HH1 ARG 22 8.680 -7.771 -3.125 175 HH21 ARG 22 1HH2 ARG 22 10.381 -6.488 -0.312 176 HH22 ARG 22 2HH2 ARG 22 10.536 -7.486 -1.686 177 H LEU 23 H LEU 23 5.343 -5.717 1.633 178 HA LEU 23 HA LEU 23 3.970 -6.546 3.833 179 HB2 LEU 23 2HB LEU 23 6.640 -5.139 3.869 180 HB3 LEU 23 1HB LEU 23 6.022 -6.198 5.122 181 HG LEU 23 HG LEU 23 6.814 -6.981 2.322 182 HD11 LEU 23 1HD1 LEU 23 8.553 -8.271 3.442 183 HD12 LEU 23 2HD1 LEU 23 8.024 -7.625 4.997 184 HD13 LEU 23 3HD1 LEU 23 8.696 -6.545 3.781 185 HD21 LEU 23 1HD2 LEU 23 6.375 -9.293 3.069 186 HD22 LEU 23 2HD2 LEU 23 4.914 -8.312 3.001 187 HD23 LEU 23 3HD2 LEU 23 5.669 -8.655 4.555 188 H TRP 24 H TRP 24 4.728 -3.295 2.894 189 HA TRP 24 HA TRP 24 2.833 -2.383 4.819 190 HB2 TRP 24 2HB TRP 24 4.130 -0.441 5.422 191 HB3 TRP 24 1HB TRP 24 5.196 -1.821 5.629 192 HD1 TRP 24 HD TRP 24 4.861 1.421 3.950 193 HE1 TRP 24 1HE TRP 24 6.931 1.905 2.433 194 HE3 TRP 24 3HE TRP 24 6.963 -3.184 4.023 195 HZ2 TRP 24 2HZ TRP 24 9.150 0.458 1.427 196 HZ3 TRP 24 3HZ TRP 24 9.040 -3.583 2.765 197 HH2 TRP 24 HH TRP 24 10.105 -1.791 1.494 198 H CYS 25 H CYS 25 1.811 -0.271 3.873 199 HA CYS 25 HA CYS 25 1.701 -0.552 1.031 200 HB2 CYS 25 2HB CYS 25 0.390 1.394 2.927 201 HB3 CYS 25 1HB CYS 25 0.233 1.544 1.180 202 H LYS 26 H LYS 26 3.098 0.214 -0.279 203 HA LYS 26 HA LYS 26 4.724 2.499 0.568 204 HB2 LYS 26 2HB LYS 26 6.018 0.446 0.286 205 HB3 LYS 26 1HB LYS 26 5.364 0.231 -1.332 206 HG2 LYS 26 2HG LYS 26 6.452 2.219 -2.083 207 HG3 LYS 26 1HG LYS 26 7.020 2.565 -0.461 208 HD2 LYS 26 2HD LYS 26 8.339 0.449 -0.548 209 HD3 LYS 26 1HD LYS 26 7.779 0.211 -2.204 210 HE2 LYS 26 2HE LYS 26 9.976 1.193 -2.309 211 HE3 LYS 26 1HE LYS 26 8.802 2.405 -2.795 212 HZ1 LYS 26 1HZ LYS 26 10.111 2.209 -0.139 213 HZ2 LYS 26 2HZ LYS 26 8.947 3.363 -0.574 214 HZ3 LYS 26 3HZ LYS 26 10.430 3.336 -1.350 215 H LYS 27 H LYS 27 5.019 4.153 -0.924 216 HA LYS 27 HA LYS 27 2.948 4.602 -2.795 217 HB2 LYS 27 2HB LYS 27 5.646 5.923 -2.592 218 HB3 LYS 27 1HB LYS 27 4.258 6.556 -3.447 219 HG2 LYS 27 2HG LYS 27 3.039 6.895 -1.453 220 HG3 LYS 27 1HG LYS 27 4.219 6.020 -0.488 221 HD2 LYS 27 2HD LYS 27 5.897 7.770 -1.072 222 HD3 LYS 27 1HD LYS 27 4.616 8.665 -1.890 223 HE2 LYS 27 2HE LYS 27 3.379 8.836 0.198 224 HE3 LYS 27 1HE LYS 27 4.609 7.883 1.023 225 HZ1 LYS 27 1HZ LYS 27 6.212 9.654 0.573 226 HZ2 LYS 27 2HZ LYS 27 4.881 10.243 1.427 227 HZ3 LYS 27 3HZ LYS 27 5.029 10.545 -0.222 228 H LYS 28 H LYS 28 2.938 4.364 -4.973 229 HA LYS 28 HA LYS 28 4.923 2.539 -6.042 230 HB2 LYS 28 2HB LYS 28 2.488 2.119 -6.471 231 HB3 LYS 28 1HB LYS 28 2.424 3.612 -7.394 232 HG2 LYS 28 2HG LYS 28 4.011 2.686 -9.019 233 HG3 LYS 28 1HG LYS 28 4.101 1.197 -8.077 234 HD2 LYS 28 2HD LYS 28 1.687 0.860 -8.422 235 HD3 LYS 28 1HD LYS 28 1.644 2.309 -9.425 236 HE2 LYS 28 2HE LYS 28 3.266 -0.179 -9.991 237 HE3 LYS 28 1HE LYS 28 1.740 0.237 -10.760 238 HZ1 LYS 28 1HZ LYS 28 4.306 1.754 -11.002 239 HZ2 LYS 28 2HZ LYS 28 2.834 2.232 -11.665 240 HZ3 LYS 28 3HZ LYS 28 3.559 0.811 -12.175 241 H LEU 29 H LEU 29 6.667 3.800 -6.178 242 HA LEU 29 HA LEU 29 6.660 6.328 -7.515 243 HB2 LEU 29 2HB LEU 29 9.001 4.556 -6.792 244 HB3 LEU 29 1HB LEU 29 9.062 6.263 -7.165 245 HG LEU 29 HG LEU 29 7.792 5.036 -4.714 246 HD11 LEU 29 1HD1 LEU 29 10.311 6.652 -5.030 247 HD12 LEU 29 2HD1 LEU 29 10.209 4.930 -4.658 248 HD13 LEU 29 3HD1 LEU 29 9.608 6.120 -3.502 249 HD21 LEU 29 1HD2 LEU 29 6.603 7.044 -5.383 250 HD22 LEU 29 2HD2 LEU 29 8.125 7.928 -5.501 251 HD23 LEU 29 3HD2 LEU 29 7.557 7.355 -3.931 252 H TRP 30 H TRP 30 7.767 3.070 -8.149 253 HA TRP 30 HA TRP 30 7.942 3.702 -10.999 254 HB2 TRP 30 2HB TRP 30 9.307 1.475 -9.466 255 HB3 TRP 30 1HB TRP 30 9.515 1.835 -11.180 256 HD1 TRP 30 HD TRP 30 10.940 4.074 -11.758 257 HE1 TRP 30 1HE TRP 30 12.760 5.301 -10.382 258 HE3 TRP 30 3HE TRP 30 10.006 2.054 -7.172 259 HZ2 TRP 30 2HZ TRP 30 13.654 5.396 -7.722 260 HZ3 TRP 30 3HZ TRP 30 11.375 2.763 -5.269 261 HH2 TRP 30 HH TRP 30 13.162 4.397 -5.539 Start of MODEL 17 1 H1 TYR 1 1HT TYR 1 -11.620 -1.521 1.202 2 H2 TYR 1 2HT TYR 1 -12.327 -0.127 0.597 3 H3 TYR 1 3HT TYR 1 -13.080 -0.935 1.869 4 HA TYR 1 HA TYR 1 -11.983 1.043 2.559 5 HB2 TYR 1 2HB TYR 1 -10.336 0.034 4.240 6 HB3 TYR 1 1HB TYR 1 -11.984 -0.563 4.309 7 HD1 TYR 1 1HD TYR 1 -12.506 -2.819 3.638 8 HD2 TYR 1 2HD TYR 1 -8.509 -1.384 3.484 9 HE1 TYR 1 1HE TYR 1 -11.728 -5.083 3.406 10 HE2 TYR 1 2HE TYR 1 -7.696 -3.659 3.244 11 HH TYR 1 HH TYR 1 -9.702 -6.249 2.463 12 H CYS 2 H CYS 2 -10.045 2.297 2.777 13 HA CYS 2 HA CYS 2 -8.192 1.649 0.622 14 HB2 CYS 2 2HB CYS 2 -9.588 3.797 0.472 15 HB3 CYS 2 1HB CYS 2 -8.611 4.362 1.831 16 H GLN 3 H GLN 3 -6.030 2.053 0.997 17 HA GLN 3 HA GLN 3 -5.322 1.990 3.826 18 HB2 GLN 3 2HB GLN 3 -3.913 0.609 1.538 19 HB3 GLN 3 1HB GLN 3 -3.318 0.664 3.185 20 HG2 GLN 3 2HG GLN 3 -5.887 -0.635 2.295 21 HG3 GLN 3 1HG GLN 3 -4.381 -1.473 2.646 22 HE21 GLN 3 1HE2 GLN 3 -3.724 -1.694 4.811 23 HE22 GLN 3 2HE2 GLN 3 -4.830 -1.406 6.103 24 H LYS 4 H LYS 4 -3.780 3.327 4.501 25 HA LYS 4 HA LYS 4 -2.746 5.299 2.626 26 HB2 LYS 4 2HB LYS 4 -2.716 5.192 5.646 27 HB3 LYS 4 1HB LYS 4 -2.097 6.534 4.693 28 HG2 LYS 4 2HG LYS 4 -4.347 6.920 3.805 29 HG3 LYS 4 1HG LYS 4 -4.950 5.573 4.771 30 HD2 LYS 4 2HD LYS 4 -4.253 6.752 6.811 31 HD3 LYS 4 1HD LYS 4 -3.706 8.112 5.828 32 HE2 LYS 4 2HE LYS 4 -5.985 8.396 4.969 33 HE3 LYS 4 1HE LYS 4 -6.516 7.042 5.958 34 HZ1 LYS 4 1HZ LYS 4 -5.933 8.315 7.936 35 HZ2 LYS 4 2HZ LYS 4 -7.041 9.147 6.984 36 HZ3 LYS 4 3HZ LYS 4 -5.424 9.608 6.981 37 H TRP 5 H TRP 5 -0.375 5.947 3.039 38 HA TRP 5 HA TRP 5 1.253 3.622 2.658 39 HB2 TRP 5 2HB TRP 5 3.100 5.088 2.312 40 HB3 TRP 5 1HB TRP 5 1.705 5.971 1.713 41 HD1 TRP 5 HD TRP 5 0.768 7.974 3.410 42 HE1 TRP 5 1HE TRP 5 2.081 9.485 5.024 43 HE3 TRP 5 3HE TRP 5 5.058 5.233 3.778 44 HZ2 TRP 5 2HZ TRP 5 4.600 9.512 6.289 45 HZ3 TRP 5 3HZ TRP 5 6.877 6.074 5.209 46 HH2 TRP 5 HH TRP 5 6.643 8.171 6.435 47 H MET 6 H MET 6 0.285 5.341 5.331 48 HA MET 6 HA MET 6 2.408 4.626 7.103 49 HB2 MET 6 2HB MET 6 0.979 5.586 8.865 50 HB3 MET 6 1HB MET 6 1.167 6.673 7.494 51 HG2 MET 6 2HG MET 6 -1.029 5.994 6.670 52 HG3 MET 6 1HG MET 6 -1.217 4.920 8.051 53 HE1 MET 6 1HE MET 6 -1.080 9.533 8.324 54 HE2 MET 6 2HE MET 6 -0.936 8.631 6.815 55 HE3 MET 6 3HE MET 6 0.359 8.569 8.010 56 H TRP 7 H TRP 7 -0.113 2.921 5.738 57 HA TRP 7 HA TRP 7 -0.275 1.094 8.011 58 HB2 TRP 7 2HB TRP 7 -2.318 1.481 5.796 59 HB3 TRP 7 1HB TRP 7 -2.440 0.310 7.099 60 HD1 TRP 7 HD TRP 7 -1.412 2.721 9.282 61 HE1 TRP 7 1HE TRP 7 -3.234 4.363 10.073 62 HE3 TRP 7 3HE TRP 7 -4.864 1.878 5.653 63 HZ2 TRP 7 2HZ TRP 7 -5.824 5.169 9.257 64 HZ3 TRP 7 3HZ TRP 7 -6.995 3.112 5.714 65 HH2 TRP 7 HH TRP 7 -7.462 4.721 7.493 66 H THR 8 H THR 8 -1.146 -1.167 6.799 67 HA THR 8 HA THR 8 0.956 -1.689 4.867 68 HB THR 8 HB THR 8 1.142 -3.947 6.055 69 HG1 THR 8 1HG THR 8 0.195 -2.949 8.403 70 HG21 THR 8 1HG2 THR 8 2.773 -2.101 6.456 71 HG22 THR 8 2HG2 THR 8 2.494 -3.056 7.911 72 HG23 THR 8 3HG2 THR 8 1.719 -1.484 7.718 73 H CYS 9 H CYS 9 0.408 -3.911 3.482 74 HA CYS 9 HA CYS 9 -2.430 -4.364 3.724 75 HB2 CYS 9 2HB CYS 9 -2.693 -4.456 1.275 76 HB3 CYS 9 1HB CYS 9 -2.215 -2.859 1.829 77 H ASP 10 H ASP 10 -2.864 -6.382 2.030 78 HA ASP 10 HA ASP 10 -0.872 -8.443 2.571 79 HB2 ASP 10 2HB ASP 10 -3.682 -8.554 3.723 80 HB3 ASP 10 1HB ASP 10 -2.547 -9.888 3.714 81 H SER 11 H SER 11 -2.262 -10.636 1.922 82 HA SER 11 HA SER 11 -3.043 -10.261 -0.788 83 HB2 SER 11 2HB SER 11 -3.596 -12.644 0.992 84 HB3 SER 11 1HB SER 11 -3.426 -12.642 -0.765 85 HG SER 11 HG SER 11 -1.552 -12.683 1.218 86 H GLU 12 H GLU 12 -4.588 -10.300 2.272 87 HA GLU 12 HA GLU 12 -7.299 -10.494 1.263 88 HB2 GLU 12 2HB GLU 12 -6.273 -9.873 4.032 89 HB3 GLU 12 1HB GLU 12 -7.942 -10.216 3.609 90 HG2 GLU 12 2HG GLU 12 -5.631 -12.113 3.336 91 HG3 GLU 12 1HG GLU 12 -6.846 -12.139 4.610 92 H ARG 13 H ARG 13 -5.298 -8.070 2.920 93 HA ARG 13 HA ARG 13 -7.300 -6.041 2.419 94 HB2 ARG 13 2HB ARG 13 -4.628 -5.876 3.814 95 HB3 ARG 13 1HB ARG 13 -5.772 -4.553 3.685 96 HG2 ARG 13 2HG ARG 13 -7.412 -5.903 4.942 97 HG3 ARG 13 1HG ARG 13 -6.178 -7.155 5.146 98 HD2 ARG 13 2HD ARG 13 -6.010 -4.305 6.090 99 HD3 ARG 13 1HD ARG 13 -6.315 -5.709 7.116 100 HE ARG 13 HE ARG 13 -3.971 -6.371 6.021 101 HH11 ARG 13 1HH1 ARG 13 -4.976 -3.305 7.475 102 HH12 ARG 13 2HH1 ARG 13 -3.389 -2.918 7.988 103 HH21 ARG 13 1HH2 ARG 13 -1.967 -5.877 6.639 104 HH22 ARG 13 2HH2 ARG 13 -1.541 -4.415 7.445 105 H LYS 14 H LYS 14 -7.324 -5.142 0.504 106 HA LYS 14 HA LYS 14 -4.992 -5.051 -1.180 107 HB2 LYS 14 2HB LYS 14 -6.469 -3.909 -2.779 108 HB3 LYS 14 1HB LYS 14 -7.204 -5.392 -2.183 109 HG2 LYS 14 2HG LYS 14 -8.647 -4.148 -0.704 110 HG3 LYS 14 1HG LYS 14 -7.823 -2.651 -1.105 111 HD2 LYS 14 2HD LYS 14 -9.392 -4.342 -3.046 112 HD3 LYS 14 1HD LYS 14 -10.006 -2.901 -2.240 113 HE2 LYS 14 2HE LYS 14 -8.077 -1.639 -3.291 114 HE3 LYS 14 1HE LYS 14 -7.761 -3.084 -4.249 115 HZ1 LYS 14 1HZ LYS 14 -9.110 -1.657 -5.547 116 HZ2 LYS 14 2HZ LYS 14 -10.162 -1.379 -4.276 117 HZ3 LYS 14 3HZ LYS 14 -10.153 -2.883 -5.014 118 H CYS 15 H CYS 15 -3.845 -3.223 -1.720 119 HA CYS 15 HA CYS 15 -4.230 -0.941 0.037 120 HB2 CYS 15 2HB CYS 15 -1.930 -2.038 -0.267 121 HB3 CYS 15 1HB CYS 15 -1.960 -1.386 -1.901 122 H CYS 16 H CYS 16 -3.891 1.239 -1.142 123 HA CYS 16 HA CYS 16 -5.728 1.153 -3.380 124 HB2 CYS 16 2HB CYS 16 -4.751 3.428 -1.666 125 HB3 CYS 16 1HB CYS 16 -5.872 3.619 -3.016 126 H LYS 17 H LYS 17 -5.379 2.165 -5.344 127 HA LYS 17 HA LYS 17 -2.818 1.919 -6.416 128 HB2 LYS 17 2HB LYS 17 -3.698 3.139 -8.405 129 HB3 LYS 17 1HB LYS 17 -4.676 1.765 -7.905 130 HG2 LYS 17 2HG LYS 17 -6.296 3.256 -6.913 131 HG3 LYS 17 1HG LYS 17 -5.278 4.641 -7.291 132 HD2 LYS 17 2HD LYS 17 -7.149 4.420 -8.883 133 HD3 LYS 17 1HD LYS 17 -5.592 4.261 -9.679 134 HE2 LYS 17 2HE LYS 17 -7.103 1.816 -8.798 135 HE3 LYS 17 1HE LYS 17 -7.541 2.631 -10.294 136 HZ1 LYS 17 1HZ LYS 17 -4.838 1.498 -9.674 137 HZ2 LYS 17 2HZ LYS 17 -5.308 2.217 -11.124 138 HZ3 LYS 17 3HZ LYS 17 -6.007 0.789 -10.632 139 H GLY 18 H GLY 18 -1.246 3.314 -6.951 140 HA2 GLY 18 2HA GLY 18 -0.311 5.540 -6.955 141 HA3 GLY 18 1HA GLY 18 -1.354 5.916 -5.579 142 H MET 19 H MET 19 -0.854 3.061 -4.778 143 HA MET 19 HA MET 19 1.803 3.364 -3.607 144 HB2 MET 19 2HB MET 19 -0.700 2.204 -2.388 145 HB3 MET 19 1HB MET 19 0.904 2.112 -1.671 146 HG2 MET 19 2HG MET 19 1.016 4.422 -1.431 147 HG3 MET 19 1HG MET 19 -0.484 4.676 -2.339 148 HE1 MET 19 1HE MET 19 -1.484 6.152 -0.642 149 HE2 MET 19 2HE MET 19 0.023 6.103 0.276 150 HE3 MET 19 3HE MET 19 -1.521 5.834 1.090 151 H VAL 20 H VAL 20 2.720 1.352 -3.076 152 HA VAL 20 HA VAL 20 1.934 -0.763 -4.926 153 HB VAL 20 HB VAL 20 4.582 -0.301 -3.507 154 HG11 VAL 20 1HG1 VAL 20 4.160 -2.658 -4.002 155 HG12 VAL 20 2HG1 VAL 20 5.453 -2.023 -5.021 156 HG13 VAL 20 3HG1 VAL 20 3.832 -2.248 -5.683 157 HG21 VAL 20 1HG2 VAL 20 3.805 0.205 -6.380 158 HG22 VAL 20 2HG2 VAL 20 5.431 0.372 -5.722 159 HG23 VAL 20 3HG2 VAL 20 4.140 1.433 -5.164 160 H CYS 21 H CYS 21 0.977 -2.405 -4.031 161 HA CYS 21 HA CYS 21 0.611 -2.516 -1.204 162 HB2 CYS 21 2HB CYS 21 -1.198 -3.041 -2.852 163 HB3 CYS 21 1HB CYS 21 -0.302 -4.485 -3.295 164 H ARG 22 H ARG 22 2.236 -3.235 -0.040 165 HA ARG 22 HA ARG 22 3.340 -5.881 -0.644 166 HB2 ARG 22 2HB ARG 22 4.906 -3.461 0.318 167 HB3 ARG 22 1HB ARG 22 5.509 -5.092 0.176 168 HG2 ARG 22 2HG ARG 22 4.614 -3.465 -2.136 169 HG3 ARG 22 1HG ARG 22 6.248 -3.563 -1.428 170 HD2 ARG 22 2HD ARG 22 6.091 -5.052 -3.381 171 HD3 ARG 22 1HD ARG 22 6.344 -5.959 -1.900 172 HE ARG 22 HE ARG 22 3.598 -5.664 -2.735 173 HH11 ARG 22 1HH1 ARG 22 6.466 -7.724 -2.788 174 HH12 ARG 22 2HH1 ARG 22 5.651 -9.111 -3.301 175 HH21 ARG 22 1HH2 ARG 22 2.438 -7.537 -3.430 176 HH22 ARG 22 2HH2 ARG 22 3.249 -9.011 -3.675 177 H LEU 23 H LEU 23 5.084 -5.561 1.591 178 HA LEU 23 HA LEU 23 3.516 -6.504 3.739 179 HB2 LEU 23 2HB LEU 23 6.287 -5.304 3.808 180 HB3 LEU 23 1HB LEU 23 5.538 -6.188 5.118 181 HG LEU 23 HG LEU 23 6.232 -7.343 2.425 182 HD11 LEU 23 1HD1 LEU 23 8.214 -6.807 3.712 183 HD12 LEU 23 2HD1 LEU 23 7.971 -8.554 3.647 184 HD13 LEU 23 3HD1 LEU 23 7.556 -7.659 5.107 185 HD21 LEU 23 1HD2 LEU 23 5.187 -8.651 4.937 186 HD22 LEU 23 2HD2 LEU 23 5.738 -9.503 3.495 187 HD23 LEU 23 3HD2 LEU 23 4.314 -8.469 3.414 188 H TRP 24 H TRP 24 4.547 -3.355 2.746 189 HA TRP 24 HA TRP 24 2.562 -2.376 4.518 190 HB2 TRP 24 2HB TRP 24 3.830 -0.407 5.197 191 HB3 TRP 24 1HB TRP 24 4.774 -1.831 5.586 192 HD1 TRP 24 HD TRP 24 4.739 1.253 3.475 193 HE1 TRP 24 1HE TRP 24 7.071 1.606 2.400 194 HE3 TRP 24 3HE TRP 24 6.842 -3.195 4.736 195 HZ2 TRP 24 2HZ TRP 24 9.479 0.145 2.153 196 HZ3 TRP 24 3HZ TRP 24 9.158 -3.653 4.053 197 HH2 TRP 24 HH TRP 24 10.449 -2.017 2.791 198 H CYS 25 H CYS 25 1.908 -0.038 3.655 199 HA CYS 25 HA CYS 25 1.816 -0.304 0.791 200 HB2 CYS 25 2HB CYS 25 0.400 1.495 2.736 201 HB3 CYS 25 1HB CYS 25 0.363 1.813 1.003 202 H LYS 26 H LYS 26 3.314 0.469 -0.382 203 HA LYS 26 HA LYS 26 4.930 2.673 0.654 204 HB2 LYS 26 2HB LYS 26 6.131 0.644 -0.021 205 HB3 LYS 26 1HB LYS 26 5.438 0.756 -1.632 206 HG2 LYS 26 2HG LYS 26 6.595 2.903 -1.964 207 HG3 LYS 26 1HG LYS 26 7.318 2.742 -0.366 208 HD2 LYS 26 2HD LYS 26 7.708 0.851 -2.691 209 HD3 LYS 26 1HD LYS 26 8.874 2.051 -2.139 210 HE2 LYS 26 2HE LYS 26 8.993 0.891 0.036 211 HE3 LYS 26 1HE LYS 26 7.867 -0.322 -0.565 212 HZ1 LYS 26 1HZ LYS 26 9.488 -0.838 -2.317 213 HZ2 LYS 26 2HZ LYS 26 10.069 -1.151 -0.775 214 HZ3 LYS 26 3HZ LYS 26 10.594 0.221 -1.603 215 H LYS 27 H LYS 27 4.423 4.597 -0.116 216 HA LYS 27 HA LYS 27 2.675 4.764 -2.405 217 HB2 LYS 27 2HB LYS 27 2.658 7.191 -2.000 218 HB3 LYS 27 1HB LYS 27 2.143 6.249 -0.614 219 HG2 LYS 27 2HG LYS 27 4.390 6.568 0.378 220 HG3 LYS 27 1HG LYS 27 4.829 7.563 -1.016 221 HD2 LYS 27 2HD LYS 27 3.069 9.147 -0.437 222 HD3 LYS 27 1HD LYS 27 2.587 8.137 0.925 223 HE2 LYS 27 2HE LYS 27 4.857 8.448 1.887 224 HE3 LYS 27 1HE LYS 27 5.224 9.554 0.564 225 HZ1 LYS 27 1HZ LYS 27 3.414 10.974 1.316 226 HZ2 LYS 27 2HZ LYS 27 4.517 10.747 2.563 227 HZ3 LYS 27 3HZ LYS 27 3.059 9.915 2.558 228 H LYS 28 H LYS 28 3.147 5.340 -4.324 229 HA LYS 28 HA LYS 28 5.974 5.633 -4.847 230 HB2 LYS 28 2HB LYS 28 4.882 3.950 -6.241 231 HB3 LYS 28 1HB LYS 28 3.712 5.133 -6.803 232 HG2 LYS 28 2HG LYS 28 5.366 6.310 -8.048 233 HG3 LYS 28 1HG LYS 28 6.672 5.402 -7.293 234 HD2 LYS 28 2HD LYS 28 5.955 3.378 -8.408 235 HD3 LYS 28 1HD LYS 28 4.547 4.207 -9.073 236 HE2 LYS 28 2HE LYS 28 6.446 3.913 -10.685 237 HE3 LYS 28 1HE LYS 28 5.921 5.577 -10.471 238 HZ1 LYS 28 1HZ LYS 28 7.801 6.054 -9.159 239 HZ2 LYS 28 2HZ LYS 28 8.390 5.237 -10.489 240 HZ3 LYS 28 3HZ LYS 28 8.276 4.442 -9.017 241 H LEU 29 H LEU 29 6.260 7.553 -4.071 242 HA LEU 29 HA LEU 29 4.903 9.823 -5.300 243 HB2 LEU 29 2HB LEU 29 5.188 9.634 -2.814 244 HB3 LEU 29 1HB LEU 29 6.918 9.692 -3.037 245 HG LEU 29 HG LEU 29 6.665 11.980 -3.967 246 HD11 LEU 29 1HD1 LEU 29 4.575 13.186 -3.589 247 HD12 LEU 29 2HD1 LEU 29 3.806 11.681 -3.087 248 HD13 LEU 29 3HD1 LEU 29 4.382 11.868 -4.744 249 HD21 LEU 29 1HD2 LEU 29 5.575 11.546 -1.192 250 HD22 LEU 29 2HD2 LEU 29 6.245 13.058 -1.810 251 HD23 LEU 29 3HD2 LEU 29 7.277 11.637 -1.643 252 H TRP 30 H TRP 30 7.299 7.836 -5.924 253 HA TRP 30 HA TRP 30 9.330 9.670 -6.881 254 HB2 TRP 30 2HB TRP 30 9.886 7.470 -5.751 255 HB3 TRP 30 1HB TRP 30 9.146 6.654 -7.119 256 HD1 TRP 30 HD TRP 30 10.446 7.142 -9.579 257 HE1 TRP 30 1HE TRP 30 12.970 7.335 -10.022 258 HE3 TRP 30 3HE TRP 30 12.017 8.118 -4.820 259 HZ2 TRP 30 2HZ TRP 30 15.330 7.830 -8.533 260 HZ3 TRP 30 3HZ TRP 30 14.422 8.432 -4.413 261 HH2 TRP 30 HH TRP 30 16.039 8.290 -6.236 Start of MODEL 18 1 H1 TYR 1 1HT TYR 1 -12.988 -0.398 1.061 2 H2 TYR 1 2HT TYR 1 -13.870 -0.288 2.509 3 H3 TYR 1 3HT TYR 1 -12.493 -1.281 2.398 4 HA TYR 1 HA TYR 1 -12.442 1.627 2.057 5 HB2 TYR 1 2HB TYR 1 -12.954 0.772 4.412 6 HB3 TYR 1 1HB TYR 1 -11.372 0.002 4.394 7 HD1 TYR 1 1HD TYR 1 -9.602 1.202 5.345 8 HD2 TYR 1 2HD TYR 1 -12.924 3.336 3.768 9 HE1 TYR 1 1HE TYR 1 -8.606 3.311 6.087 10 HE2 TYR 1 2HE TYR 1 -11.940 5.434 4.500 11 HH TYR 1 HH TYR 1 -8.772 5.724 5.380 12 H CYS 2 H CYS 2 -10.031 2.267 2.333 13 HA CYS 2 HA CYS 2 -8.394 0.266 0.942 14 HB2 CYS 2 2HB CYS 2 -9.333 2.111 -0.538 15 HB3 CYS 2 1HB CYS 2 -8.367 3.218 0.440 16 H GLN 3 H GLN 3 -6.128 0.558 1.287 17 HA GLN 3 HA GLN 3 -5.645 1.292 4.056 18 HB2 GLN 3 2HB GLN 3 -3.676 0.096 2.092 19 HB3 GLN 3 1HB GLN 3 -3.474 0.251 3.816 20 HG2 GLN 3 2HG GLN 3 -5.538 -1.477 2.470 21 HG3 GLN 3 1HG GLN 3 -4.029 -2.034 3.188 22 HE21 GLN 3 1HE2 GLN 3 -3.804 -1.999 5.428 23 HE22 GLN 3 2HE2 GLN 3 -5.190 -1.872 6.462 24 H LYS 4 H LYS 4 -3.999 2.658 4.740 25 HA LYS 4 HA LYS 4 -3.502 4.913 2.966 26 HB2 LYS 4 2HB LYS 4 -2.967 4.550 5.934 27 HB3 LYS 4 1HB LYS 4 -2.823 6.055 5.035 28 HG2 LYS 4 2HG LYS 4 -5.209 6.023 4.562 29 HG3 LYS 4 1HG LYS 4 -5.370 4.503 5.431 30 HD2 LYS 4 2HD LYS 4 -6.124 6.138 6.940 31 HD3 LYS 4 1HD LYS 4 -4.489 5.780 7.468 32 HE2 LYS 4 2HE LYS 4 -5.258 8.145 5.740 33 HE3 LYS 4 1HE LYS 4 -5.092 8.214 7.485 34 HZ1 LYS 4 1HZ LYS 4 -2.736 7.584 7.188 35 HZ2 LYS 4 2HZ LYS 4 -3.148 9.039 6.471 36 HZ3 LYS 4 3HZ LYS 4 -2.936 7.691 5.505 37 H TRP 5 H TRP 5 -1.223 5.824 2.951 38 HA TRP 5 HA TRP 5 0.518 3.701 2.179 39 HB2 TRP 5 2HB TRP 5 2.181 5.361 1.553 40 HB3 TRP 5 1HB TRP 5 0.603 5.947 1.055 41 HD1 TRP 5 HD TRP 5 3.295 6.558 3.746 42 HE1 TRP 5 1HE TRP 5 3.041 8.938 4.643 43 HE3 TRP 5 3HE TRP 5 -0.931 7.945 1.222 44 HZ2 TRP 5 2HZ TRP 5 1.335 11.099 4.334 45 HZ3 TRP 5 3HZ TRP 5 -1.792 10.208 1.572 46 HH2 TRP 5 HH TRP 5 -0.685 11.764 3.093 47 H MET 6 H MET 6 0.076 5.353 5.092 48 HA MET 6 HA MET 6 2.619 4.640 6.243 49 HB2 MET 6 2HB MET 6 1.498 6.689 6.936 50 HB3 MET 6 1HB MET 6 0.094 5.776 7.454 51 HG2 MET 6 2HG MET 6 1.357 4.738 9.213 52 HG3 MET 6 1HG MET 6 2.826 5.526 8.647 53 HE1 MET 6 1HE MET 6 1.737 5.616 11.674 54 HE2 MET 6 2HE MET 6 2.060 7.304 12.075 55 HE3 MET 6 3HE MET 6 3.233 6.379 11.139 56 H TRP 7 H TRP 7 -0.306 3.140 5.721 57 HA TRP 7 HA TRP 7 -0.135 1.273 7.943 58 HB2 TRP 7 2HB TRP 7 -2.081 1.540 5.650 59 HB3 TRP 7 1HB TRP 7 -2.154 0.215 6.792 60 HD1 TRP 7 HD TRP 7 -1.298 3.114 8.839 61 HE1 TRP 7 1HE TRP 7 -3.410 4.168 9.885 62 HE3 TRP 7 3HE TRP 7 -4.855 0.821 5.984 63 HZ2 TRP 7 2HZ TRP 7 -6.201 4.039 9.534 64 HZ3 TRP 7 3HZ TRP 7 -7.215 1.338 6.397 65 HH2 TRP 7 HH TRP 7 -7.872 2.916 8.144 66 H THR 8 H THR 8 -0.862 -1.099 6.854 67 HA THR 8 HA THR 8 1.222 -1.688 4.915 68 HB THR 8 HB THR 8 1.481 -3.896 6.120 69 HG1 THR 8 1HG THR 8 0.688 -3.645 8.422 70 HG21 THR 8 1HG2 THR 8 1.977 -1.440 7.811 71 HG22 THR 8 2HG2 THR 8 3.098 -2.118 6.642 72 HG23 THR 8 3HG2 THR 8 2.701 -3.013 8.104 73 H CYS 9 H CYS 9 0.538 -3.944 3.654 74 HA CYS 9 HA CYS 9 -2.277 -4.327 4.005 75 HB2 CYS 9 2HB CYS 9 -2.662 -4.338 1.551 76 HB3 CYS 9 1HB CYS 9 -2.209 -2.765 2.178 77 H ASP 10 H ASP 10 -2.812 -6.204 2.194 78 HA ASP 10 HA ASP 10 -0.868 -8.367 2.576 79 HB2 ASP 10 2HB ASP 10 -3.809 -8.480 3.340 80 HB3 ASP 10 1HB ASP 10 -2.757 -9.870 3.220 81 H SER 11 H SER 11 -2.298 -10.351 1.484 82 HA SER 11 HA SER 11 -3.006 -9.554 -1.145 83 HB2 SER 11 2HB SER 11 -3.621 -12.127 0.334 84 HB3 SER 11 1HB SER 11 -3.532 -11.915 -1.420 85 HG SER 11 HG SER 11 -1.588 -12.785 -0.709 86 H GLU 12 H GLU 12 -4.561 -10.063 1.897 87 HA GLU 12 HA GLU 12 -7.296 -10.010 1.013 88 HB2 GLU 12 2HB GLU 12 -6.149 -9.532 3.778 89 HB3 GLU 12 1HB GLU 12 -7.813 -9.944 3.396 90 HG2 GLU 12 2HG GLU 12 -7.169 -12.141 2.691 91 HG3 GLU 12 1HG GLU 12 -5.461 -11.734 2.836 92 H ARG 13 H ARG 13 -5.619 -7.829 3.290 93 HA ARG 13 HA ARG 13 -7.244 -5.567 2.745 94 HB2 ARG 13 2HB ARG 13 -4.485 -5.709 4.006 95 HB3 ARG 13 1HB ARG 13 -5.518 -4.295 4.011 96 HG2 ARG 13 2HG ARG 13 -7.156 -5.529 5.380 97 HG3 ARG 13 1HG ARG 13 -6.062 -6.915 5.402 98 HD2 ARG 13 2HD ARG 13 -5.420 -4.153 6.453 99 HD3 ARG 13 1HD ARG 13 -5.870 -5.534 7.452 100 HE ARG 13 HE ARG 13 -3.768 -6.538 6.206 101 HH11 ARG 13 1HH1 ARG 13 -4.062 -3.355 7.764 102 HH12 ARG 13 2HH1 ARG 13 -2.395 -3.191 8.039 103 HH21 ARG 13 1HH2 ARG 13 -1.524 -6.326 6.649 104 HH22 ARG 13 2HH2 ARG 13 -0.926 -4.898 7.397 105 H LYS 14 H LYS 14 -7.140 -4.315 1.001 106 HA LYS 14 HA LYS 14 -4.720 -4.524 -0.604 107 HB2 LYS 14 2HB LYS 14 -6.186 -3.820 -2.520 108 HB3 LYS 14 1HB LYS 14 -6.537 -5.393 -1.821 109 HG2 LYS 14 2HG LYS 14 -8.391 -4.350 -0.539 110 HG3 LYS 14 1HG LYS 14 -8.059 -2.840 -1.386 111 HD2 LYS 14 2HD LYS 14 -9.910 -4.008 -2.447 112 HD3 LYS 14 1HD LYS 14 -8.519 -3.964 -3.528 113 HE2 LYS 14 2HE LYS 14 -9.584 -6.159 -3.565 114 HE3 LYS 14 1HE LYS 14 -7.955 -6.270 -2.913 115 HZ1 LYS 14 1HZ LYS 14 -9.530 -7.587 -1.652 116 HZ2 LYS 14 2HZ LYS 14 -10.462 -6.224 -1.319 117 HZ3 LYS 14 3HZ LYS 14 -8.917 -6.364 -0.666 118 H CYS 15 H CYS 15 -3.548 -2.861 -1.046 119 HA CYS 15 HA CYS 15 -4.177 -0.379 0.298 120 HB2 CYS 15 2HB CYS 15 -1.901 -1.649 0.273 121 HB3 CYS 15 1HB CYS 15 -1.703 -0.926 -1.314 122 H CYS 16 H CYS 16 -3.792 1.693 -0.894 123 HA CYS 16 HA CYS 16 -5.560 1.709 -3.076 124 HB2 CYS 16 2HB CYS 16 -3.853 3.904 -1.925 125 HB3 CYS 16 1HB CYS 16 -5.102 4.142 -3.141 126 H LYS 17 H LYS 17 -5.290 2.308 -5.175 127 HA LYS 17 HA LYS 17 -2.815 1.643 -6.392 128 HB2 LYS 17 2HB LYS 17 -5.338 2.905 -7.478 129 HB3 LYS 17 1HB LYS 17 -3.981 2.386 -8.477 130 HG2 LYS 17 2HG LYS 17 -4.276 0.120 -7.861 131 HG3 LYS 17 1HG LYS 17 -5.443 0.536 -6.614 132 HD2 LYS 17 2HD LYS 17 -6.958 1.356 -8.373 133 HD3 LYS 17 1HD LYS 17 -5.787 0.833 -9.589 134 HE2 LYS 17 2HE LYS 17 -7.555 -0.822 -9.278 135 HE3 LYS 17 1HE LYS 17 -5.981 -1.461 -8.810 136 HZ1 LYS 17 1HZ LYS 17 -7.999 -0.391 -6.906 137 HZ2 LYS 17 2HZ LYS 17 -6.551 -1.137 -6.493 138 HZ3 LYS 17 3HZ LYS 17 -7.778 -2.020 -7.226 139 H GLY 18 H GLY 18 -1.309 3.014 -7.217 140 HA2 GLY 18 2HA GLY 18 -0.326 5.159 -7.435 141 HA3 GLY 18 1HA GLY 18 -1.538 5.794 -6.311 142 H MET 19 H MET 19 -0.791 2.874 -5.184 143 HA MET 19 HA MET 19 1.624 3.600 -3.727 144 HB2 MET 19 2HB MET 19 -0.895 2.343 -2.583 145 HB3 MET 19 1HB MET 19 0.625 2.501 -1.722 146 HG2 MET 19 2HG MET 19 0.454 4.826 -1.661 147 HG3 MET 19 1HG MET 19 -0.937 4.854 -2.759 148 HE1 MET 19 1HE MET 19 -2.614 6.063 0.520 149 HE2 MET 19 2HE MET 19 -2.520 6.266 -1.228 150 HE3 MET 19 3HE MET 19 -1.087 6.531 -0.237 151 H VAL 20 H VAL 20 2.595 1.597 -2.890 152 HA VAL 20 HA VAL 20 2.086 -0.633 -4.731 153 HB VAL 20 HB VAL 20 4.555 -0.066 -3.052 154 HG11 VAL 20 1HG1 VAL 20 4.220 -2.439 -3.482 155 HG12 VAL 20 2HG1 VAL 20 5.621 -1.824 -4.359 156 HG13 VAL 20 3HG1 VAL 20 4.105 -2.119 -5.214 157 HG21 VAL 20 1HG2 VAL 20 4.334 1.591 -4.816 158 HG22 VAL 20 2HG2 VAL 20 4.123 0.315 -6.014 159 HG23 VAL 20 3HG2 VAL 20 5.665 0.492 -5.177 160 H CYS 21 H CYS 21 1.213 -2.392 -3.885 161 HA CYS 21 HA CYS 21 0.761 -2.413 -1.029 162 HB2 CYS 21 2HB CYS 21 -1.125 -2.716 -2.687 163 HB3 CYS 21 1HB CYS 21 -0.392 -4.257 -3.116 164 H ARG 22 H ARG 22 2.122 -3.445 0.152 165 HA ARG 22 HA ARG 22 3.130 -6.063 -0.601 166 HB2 ARG 22 2HB ARG 22 4.764 -3.662 0.184 167 HB3 ARG 22 1HB ARG 22 5.378 -5.258 0.473 168 HG2 ARG 22 2HG ARG 22 4.748 -4.028 -2.185 169 HG3 ARG 22 1HG ARG 22 6.307 -4.302 -1.357 170 HD2 ARG 22 2HD ARG 22 5.922 -5.976 -3.141 171 HD3 ARG 22 1HD ARG 22 6.071 -6.694 -1.548 172 HE ARG 22 HE ARG 22 3.416 -6.158 -2.651 173 HH11 ARG 22 1HH1 ARG 22 5.879 -8.552 -1.730 174 HH12 ARG 22 2HH1 ARG 22 4.800 -9.874 -1.737 175 HH21 ARG 22 1HH2 ARG 22 1.941 -7.975 -2.655 176 HH22 ARG 22 2HH2 ARG 22 2.510 -9.537 -2.268 177 H LEU 23 H LEU 23 4.769 -6.229 1.575 178 HA LEU 23 HA LEU 23 3.059 -6.848 3.722 179 HB2 LEU 23 2HB LEU 23 6.011 -6.247 3.745 180 HB3 LEU 23 1HB LEU 23 5.146 -6.630 5.215 181 HG LEU 23 HG LEU 23 5.422 -8.466 2.832 182 HD11 LEU 23 1HD1 LEU 23 6.906 -9.751 4.284 183 HD12 LEU 23 2HD1 LEU 23 6.765 -8.510 5.529 184 HD13 LEU 23 3HD1 LEU 23 7.538 -8.132 3.990 185 HD21 LEU 23 1HD2 LEU 23 4.242 -8.918 5.572 186 HD22 LEU 23 2HD2 LEU 23 4.515 -10.162 4.357 187 HD23 LEU 23 3HD2 LEU 23 3.353 -8.876 4.047 188 H TRP 24 H TRP 24 4.541 -3.864 2.823 189 HA TRP 24 HA TRP 24 2.869 -2.573 4.777 190 HB2 TRP 24 2HB TRP 24 4.568 -0.929 5.306 191 HB3 TRP 24 1HB TRP 24 5.300 -2.511 5.516 192 HD1 TRP 24 HD TRP 24 5.507 0.627 3.539 193 HE1 TRP 24 1HE TRP 24 7.609 0.640 2.059 194 HE3 TRP 24 3HE TRP 24 6.882 -4.211 4.195 195 HZ2 TRP 24 2HZ TRP 24 9.612 -1.242 1.264 196 HZ3 TRP 24 3HZ TRP 24 8.888 -5.049 3.047 197 HH2 TRP 24 HH TRP 24 10.223 -3.590 1.616 198 H CYS 25 H CYS 25 2.293 -0.291 3.959 199 HA CYS 25 HA CYS 25 2.090 -0.361 1.081 200 HB2 CYS 25 2HB CYS 25 0.913 1.474 3.166 201 HB3 CYS 25 1HB CYS 25 0.797 1.794 1.439 202 H LYS 26 H LYS 26 2.961 1.101 -0.283 203 HA LYS 26 HA LYS 26 4.925 2.972 0.810 204 HB2 LYS 26 2HB LYS 26 6.089 0.882 0.203 205 HB3 LYS 26 1HB LYS 26 5.361 0.940 -1.393 206 HG2 LYS 26 2HG LYS 26 6.601 2.962 -1.900 207 HG3 LYS 26 1HG LYS 26 7.285 2.958 -0.280 208 HD2 LYS 26 2HD LYS 26 8.890 2.055 -1.898 209 HD3 LYS 26 1HD LYS 26 8.389 0.804 -0.762 210 HE2 LYS 26 2HE LYS 26 6.876 -0.134 -2.395 211 HE3 LYS 26 1HE LYS 26 7.206 1.184 -3.514 212 HZ1 LYS 26 1HZ LYS 26 8.421 -0.812 -4.104 213 HZ2 LYS 26 2HZ LYS 26 9.158 -0.866 -2.601 214 HZ3 LYS 26 3HZ LYS 26 9.497 0.403 -3.664 215 H LYS 27 H LYS 27 5.097 4.843 -0.481 216 HA LYS 27 HA LYS 27 2.864 5.455 -2.128 217 HB2 LYS 27 2HB LYS 27 3.943 7.596 -2.502 218 HB3 LYS 27 1HB LYS 27 4.031 7.163 -0.800 219 HG2 LYS 27 2HG LYS 27 6.362 6.455 -1.097 220 HG3 LYS 27 1HG LYS 27 6.255 6.852 -2.806 221 HD2 LYS 27 2HD LYS 27 5.921 9.167 -2.313 222 HD3 LYS 27 1HD LYS 27 5.831 8.837 -0.585 223 HE2 LYS 27 2HE LYS 27 8.232 8.410 -2.360 224 HE3 LYS 27 1HE LYS 27 8.016 9.731 -1.215 225 HZ1 LYS 27 1HZ LYS 27 7.908 8.028 0.574 226 HZ2 LYS 27 2HZ LYS 27 9.371 8.077 -0.216 227 HZ3 LYS 27 3HZ LYS 27 8.296 6.837 -0.564 228 H LYS 28 H LYS 28 3.008 6.265 -4.363 229 HA LYS 28 HA LYS 28 5.255 5.568 -5.974 230 HB2 LYS 28 2HB LYS 28 3.708 3.490 -5.745 231 HB3 LYS 28 1HB LYS 28 2.518 4.439 -6.613 232 HG2 LYS 28 2HG LYS 28 3.594 2.991 -8.173 233 HG3 LYS 28 1HG LYS 28 4.147 4.644 -8.482 234 HD2 LYS 28 2HD LYS 28 6.231 4.234 -7.362 235 HD3 LYS 28 1HD LYS 28 5.670 2.669 -6.784 236 HE2 LYS 28 2HE LYS 28 7.198 2.335 -8.617 237 HE3 LYS 28 1HE LYS 28 5.577 1.884 -9.126 238 HZ1 LYS 28 1HZ LYS 28 6.874 4.481 -9.753 239 HZ2 LYS 28 2HZ LYS 28 5.410 3.914 -10.411 240 HZ3 LYS 28 3HZ LYS 28 6.854 3.158 -10.761 241 H LEU 29 H LEU 29 5.011 6.786 -7.960 242 HA LEU 29 HA LEU 29 2.815 8.713 -7.850 243 HB2 LEU 29 2HB LEU 29 5.503 8.881 -9.253 244 HB3 LEU 29 1HB LEU 29 4.218 10.029 -9.516 245 HG LEU 29 HG LEU 29 5.787 11.044 -8.066 246 HD11 LEU 29 1HD1 LEU 29 3.497 11.512 -7.512 247 HD12 LEU 29 2HD1 LEU 29 4.508 11.527 -6.072 248 HD13 LEU 29 3HD1 LEU 29 3.462 10.147 -6.394 249 HD21 LEU 29 1HD2 LEU 29 5.575 8.641 -6.250 250 HD22 LEU 29 2HD2 LEU 29 6.513 10.100 -5.922 251 HD23 LEU 29 3HD2 LEU 29 6.951 9.049 -7.269 252 H TRP 30 H TRP 30 4.827 7.352 -10.397 253 HA TRP 30 HA TRP 30 2.502 6.088 -11.559 254 HB2 TRP 30 2HB TRP 30 4.488 7.785 -13.130 255 HB3 TRP 30 1HB TRP 30 3.256 6.767 -13.842 256 HD1 TRP 30 HD TRP 30 3.919 10.241 -12.965 257 HE1 TRP 30 1HE TRP 30 1.765 11.660 -13.047 258 HE3 TRP 30 3HE TRP 30 0.468 6.484 -13.048 259 HZ2 TRP 30 2HZ TRP 30 -1.018 11.240 -13.126 260 HZ3 TRP 30 3HZ TRP 30 -1.921 7.071 -13.120 261 HH2 TRP 30 HH TRP 30 -2.644 9.405 -13.156 Start of MODEL 19 1 H1 TYR 1 1HT TYR 1 -12.287 0.514 5.029 2 H2 TYR 1 2HT TYR 1 -10.713 0.987 4.591 3 H3 TYR 1 3HT TYR 1 -11.093 -0.630 4.745 4 HA TYR 1 HA TYR 1 -12.536 -0.628 2.928 5 HB2 TYR 1 2HB TYR 1 -11.784 2.298 2.573 6 HB3 TYR 1 1HB TYR 1 -12.825 1.359 1.522 7 HD1 TYR 1 1HD TYR 1 -12.608 3.244 4.635 8 HD2 TYR 1 2HD TYR 1 -15.113 0.750 2.259 9 HE1 TYR 1 1HE TYR 1 -14.537 3.967 5.936 10 HE2 TYR 1 2HE TYR 1 -17.060 1.468 3.555 11 HH TYR 1 HH TYR 1 -17.549 2.406 5.824 12 H CYS 2 H CYS 2 -9.739 1.611 2.826 13 HA CYS 2 HA CYS 2 -8.364 -0.278 1.090 14 HB2 CYS 2 2HB CYS 2 -9.408 1.490 -0.258 15 HB3 CYS 2 1HB CYS 2 -8.634 2.693 0.782 16 H GLN 3 H GLN 3 -6.035 0.138 1.137 17 HA GLN 3 HA GLN 3 -5.324 0.975 3.809 18 HB2 GLN 3 2HB GLN 3 -3.806 -0.765 1.882 19 HB3 GLN 3 1HB GLN 3 -3.169 -0.241 3.436 20 HG2 GLN 3 2HG GLN 3 -5.629 -1.891 2.972 21 HG3 GLN 3 1HG GLN 3 -4.056 -2.471 3.535 22 HE21 GLN 3 1HE2 GLN 3 -3.410 -2.008 5.597 23 HE22 GLN 3 2HE2 GLN 3 -4.520 -1.450 6.815 24 H LYS 4 H LYS 4 -4.103 2.623 4.263 25 HA LYS 4 HA LYS 4 -3.355 4.426 2.120 26 HB2 LYS 4 2HB LYS 4 -3.133 4.765 5.109 27 HB3 LYS 4 1HB LYS 4 -2.935 6.024 3.905 28 HG2 LYS 4 2HG LYS 4 -5.286 5.778 3.274 29 HG3 LYS 4 1HG LYS 4 -5.472 4.521 4.503 30 HD2 LYS 4 2HD LYS 4 -4.754 6.172 6.213 31 HD3 LYS 4 1HD LYS 4 -4.745 7.410 4.957 32 HE2 LYS 4 2HE LYS 4 -7.132 5.792 5.842 33 HE3 LYS 4 1HE LYS 4 -6.807 7.465 6.280 34 HZ1 LYS 4 1HZ LYS 4 -8.396 7.342 4.519 35 HZ2 LYS 4 2HZ LYS 4 -7.353 6.440 3.546 36 HZ3 LYS 4 3HZ LYS 4 -6.982 8.040 3.909 37 H TRP 5 H TRP 5 -1.262 5.624 2.513 38 HA TRP 5 HA TRP 5 0.974 4.018 2.045 39 HB2 TRP 5 2HB TRP 5 2.252 6.102 2.177 40 HB3 TRP 5 1HB TRP 5 0.724 6.413 1.358 41 HD1 TRP 5 HD TRP 5 2.708 7.357 4.438 42 HE1 TRP 5 1HE TRP 5 1.462 9.153 5.788 43 HE3 TRP 5 3HE TRP 5 -1.751 7.368 1.906 44 HZ2 TRP 5 2HZ TRP 5 -1.043 10.414 5.783 45 HZ3 TRP 5 3HZ TRP 5 -3.505 8.891 2.657 46 HH2 TRP 5 HH TRP 5 -3.157 10.392 4.557 47 H MET 6 H MET 6 -0.345 5.292 4.942 48 HA MET 6 HA MET 6 1.959 4.821 6.596 49 HB2 MET 6 2HB MET 6 0.504 5.623 8.427 50 HB3 MET 6 1HB MET 6 0.596 6.742 7.073 51 HG2 MET 6 2HG MET 6 -1.569 5.951 6.266 52 HG3 MET 6 1HG MET 6 -1.663 4.823 7.614 53 HE1 MET 6 1HE MET 6 -0.497 6.599 10.020 54 HE2 MET 6 2HE MET 6 -1.907 5.546 10.111 55 HE3 MET 6 3HE MET 6 -2.020 7.218 10.664 56 H TRP 7 H TRP 7 -0.443 2.834 5.409 57 HA TRP 7 HA TRP 7 -0.335 1.139 7.790 58 HB2 TRP 7 2HB TRP 7 -2.446 1.236 5.617 59 HB3 TRP 7 1HB TRP 7 -2.433 0.073 6.929 60 HD1 TRP 7 HD TRP 7 -1.559 2.618 9.054 61 HE1 TRP 7 1HE TRP 7 -3.525 4.079 9.892 62 HE3 TRP 7 3HE TRP 7 -5.023 1.384 5.567 63 HZ2 TRP 7 2HZ TRP 7 -6.185 4.626 9.142 64 HZ3 TRP 7 3HZ TRP 7 -7.259 2.402 5.676 65 HH2 TRP 7 HH TRP 7 -7.823 3.986 7.443 66 H THR 8 H THR 8 -0.957 -1.277 6.800 67 HA THR 8 HA THR 8 1.140 -1.726 4.825 68 HB THR 8 HB THR 8 1.548 -3.893 6.002 69 HG1 THR 8 1HG THR 8 0.240 -3.270 8.298 70 HG21 THR 8 1HG2 THR 8 2.871 -1.925 6.707 71 HG22 THR 8 2HG2 THR 8 2.538 -2.983 8.077 72 HG23 THR 8 3HG2 THR 8 1.609 -1.501 7.857 73 H CYS 9 H CYS 9 0.616 -4.064 3.579 74 HA CYS 9 HA CYS 9 -2.259 -4.426 3.692 75 HB2 CYS 9 2HB CYS 9 -2.489 -4.440 1.329 76 HB3 CYS 9 1HB CYS 9 -1.646 -2.959 1.762 77 H ASP 10 H ASP 10 -2.855 -6.398 2.355 78 HA ASP 10 HA ASP 10 -0.928 -8.590 2.512 79 HB2 ASP 10 2HB ASP 10 -3.715 -8.713 3.761 80 HB3 ASP 10 1HB ASP 10 -2.592 -10.047 3.622 81 H SER 11 H SER 11 -2.683 -10.588 1.743 82 HA SER 11 HA SER 11 -3.467 -9.832 -0.879 83 HB2 SER 11 2HB SER 11 -4.243 -12.274 0.734 84 HB3 SER 11 1HB SER 11 -4.413 -12.106 -1.015 85 HG SER 11 HG SER 11 -2.138 -12.486 0.544 86 H GLU 12 H GLU 12 -4.961 -9.756 2.167 87 HA GLU 12 HA GLU 12 -7.710 -9.549 1.276 88 HB2 GLU 12 2HB GLU 12 -6.473 -8.964 3.947 89 HB3 GLU 12 1HB GLU 12 -8.178 -9.221 3.616 90 HG2 GLU 12 2HG GLU 12 -7.841 -11.505 3.185 91 HG3 GLU 12 1HG GLU 12 -6.087 -11.308 3.131 92 H ARG 13 H ARG 13 -5.769 -7.429 3.355 93 HA ARG 13 HA ARG 13 -7.164 -5.028 2.622 94 HB2 ARG 13 2HB ARG 13 -4.537 -5.414 4.082 95 HB3 ARG 13 1HB ARG 13 -5.451 -3.925 3.994 96 HG2 ARG 13 2HG ARG 13 -7.211 -4.886 5.322 97 HG3 ARG 13 1HG ARG 13 -6.387 -6.446 5.341 98 HD2 ARG 13 2HD ARG 13 -5.296 -3.857 6.465 99 HD3 ARG 13 1HD ARG 13 -5.978 -5.166 7.427 100 HE ARG 13 HE ARG 13 -4.042 -6.485 6.207 101 HH11 ARG 13 1HH1 ARG 13 -3.850 -3.313 7.762 102 HH12 ARG 13 2HH1 ARG 13 -2.173 -3.403 8.037 103 HH21 ARG 13 1HH2 ARG 13 -1.833 -6.623 6.614 104 HH22 ARG 13 2HH2 ARG 13 -0.982 -5.309 7.357 105 H LYS 14 H LYS 14 -6.729 -4.106 0.603 106 HA LYS 14 HA LYS 14 -3.966 -4.328 -0.301 107 HB2 LYS 14 2HB LYS 14 -4.806 -3.863 -2.616 108 HB3 LYS 14 1HB LYS 14 -5.329 -5.388 -1.931 109 HG2 LYS 14 2HG LYS 14 -7.521 -4.394 -1.428 110 HG3 LYS 14 1HG LYS 14 -6.960 -2.883 -2.150 111 HD2 LYS 14 2HD LYS 14 -7.116 -5.516 -3.624 112 HD3 LYS 14 1HD LYS 14 -8.359 -4.267 -3.690 113 HE2 LYS 14 2HE LYS 14 -6.694 -2.694 -4.608 114 HE3 LYS 14 1HE LYS 14 -5.480 -3.967 -4.562 115 HZ1 LYS 14 1HZ LYS 14 -6.798 -5.219 -6.159 116 HZ2 LYS 14 2HZ LYS 14 -6.462 -3.688 -6.765 117 HZ3 LYS 14 3HZ LYS 14 -7.980 -4.025 -6.153 118 H CYS 15 H CYS 15 -2.779 -2.599 -0.974 119 HA CYS 15 HA CYS 15 -3.319 -0.072 0.230 120 HB2 CYS 15 2HB CYS 15 -1.332 -0.685 -1.961 121 HB3 CYS 15 1HB CYS 15 -1.316 0.701 -0.884 122 H CYS 16 H CYS 16 -3.745 1.888 -0.674 123 HA CYS 16 HA CYS 16 -5.697 1.898 -2.674 124 HB2 CYS 16 2HB CYS 16 -4.170 4.153 -1.389 125 HB3 CYS 16 1HB CYS 16 -5.528 4.393 -2.487 126 H LYS 17 H LYS 17 -5.634 3.459 -4.568 127 HA LYS 17 HA LYS 17 -3.650 2.413 -6.269 128 HB2 LYS 17 2HB LYS 17 -5.876 4.378 -6.751 129 HB3 LYS 17 1HB LYS 17 -4.715 3.969 -8.002 130 HG2 LYS 17 2HG LYS 17 -6.683 2.638 -8.344 131 HG3 LYS 17 1HG LYS 17 -5.395 1.582 -7.783 132 HD2 LYS 17 2HD LYS 17 -6.349 1.672 -5.515 133 HD3 LYS 17 1HD LYS 17 -7.654 2.689 -6.121 134 HE2 LYS 17 2HE LYS 17 -8.347 0.893 -7.630 135 HE3 LYS 17 1HE LYS 17 -7.043 -0.122 -7.019 136 HZ1 LYS 17 1HZ LYS 17 -9.347 0.902 -5.441 137 HZ2 LYS 17 2HZ LYS 17 -8.059 0.090 -4.800 138 HZ3 LYS 17 3HZ LYS 17 -9.066 -0.709 -5.865 139 H GLY 18 H GLY 18 -1.905 3.205 -7.030 140 HA2 GLY 18 2HA GLY 18 -0.343 4.912 -7.531 141 HA3 GLY 18 1HA GLY 18 -1.135 5.952 -6.345 142 H MET 19 H MET 19 -0.994 2.884 -5.162 143 HA MET 19 HA MET 19 1.552 3.370 -3.811 144 HB2 MET 19 2HB MET 19 -0.977 2.168 -2.658 145 HB3 MET 19 1HB MET 19 0.562 2.301 -1.814 146 HG2 MET 19 2HG MET 19 0.448 4.669 -1.846 147 HG3 MET 19 1HG MET 19 -1.009 4.651 -2.849 148 HE1 MET 19 1HE MET 19 -2.524 6.008 0.412 149 HE2 MET 19 2HE MET 19 -2.419 6.158 -1.342 150 HE3 MET 19 3HE MET 19 -0.989 6.438 -0.345 151 H VAL 20 H VAL 20 2.554 1.436 -3.066 152 HA VAL 20 HA VAL 20 2.121 -0.821 -4.887 153 HB VAL 20 HB VAL 20 4.571 -0.104 -3.233 154 HG11 VAL 20 1HG1 VAL 20 4.232 -2.154 -5.417 155 HG12 VAL 20 2HG1 VAL 20 4.399 -2.485 -3.693 156 HG13 VAL 20 3HG1 VAL 20 5.739 -1.768 -4.586 157 HG21 VAL 20 1HG2 VAL 20 4.099 0.298 -6.190 158 HG22 VAL 20 2HG2 VAL 20 5.627 0.569 -5.353 159 HG23 VAL 20 3HG2 VAL 20 4.224 1.568 -4.973 160 H CYS 21 H CYS 21 1.445 -2.666 -4.002 161 HA CYS 21 HA CYS 21 0.904 -2.682 -1.150 162 HB2 CYS 21 2HB CYS 21 -0.822 -3.193 -2.979 163 HB3 CYS 21 1HB CYS 21 0.062 -4.687 -3.238 164 H ARG 22 H ARG 22 2.105 -3.822 0.218 165 HA ARG 22 HA ARG 22 3.349 -6.277 -0.428 166 HB2 ARG 22 2HB ARG 22 4.898 -4.382 -1.311 167 HB3 ARG 22 1HB ARG 22 5.186 -4.020 0.386 168 HG2 ARG 22 2HG ARG 22 6.124 -6.241 0.735 169 HG3 ARG 22 1HG ARG 22 5.713 -6.681 -0.923 170 HD2 ARG 22 2HD ARG 22 7.199 -5.072 -1.732 171 HD3 ARG 22 1HD ARG 22 7.537 -4.482 -0.091 172 HE ARG 22 HE ARG 22 8.030 -7.292 -0.620 173 HH11 ARG 22 1HH1 ARG 22 9.512 -4.075 -0.451 174 HH12 ARG 22 2HH1 ARG 22 11.047 -4.662 -0.027 175 HH21 ARG 22 1HH2 ARG 22 10.108 -8.089 -0.081 176 HH22 ARG 22 2HH2 ARG 22 11.418 -7.035 0.181 177 H LEU 23 H LEU 23 5.052 -6.317 1.864 178 HA LEU 23 HA LEU 23 3.449 -6.732 4.031 179 HB2 LEU 23 2HB LEU 23 6.347 -5.883 4.054 180 HB3 LEU 23 1HB LEU 23 5.489 -6.445 5.466 181 HG LEU 23 HG LEU 23 6.819 -8.224 4.757 182 HD11 LEU 23 1HD1 LEU 23 4.637 -8.943 5.407 183 HD12 LEU 23 2HD1 LEU 23 5.288 -9.998 4.152 184 HD13 LEU 23 3HD1 LEU 23 4.061 -8.800 3.744 185 HD21 LEU 23 1HD2 LEU 23 7.360 -7.434 2.504 186 HD22 LEU 23 2HD2 LEU 23 5.752 -7.923 1.954 187 HD23 LEU 23 3HD2 LEU 23 6.899 -9.133 2.506 188 H TRP 24 H TRP 24 4.531 -3.685 2.834 189 HA TRP 24 HA TRP 24 2.812 -2.470 4.737 190 HB2 TRP 24 2HB TRP 24 4.335 -0.700 5.372 191 HB3 TRP 24 1HB TRP 24 5.163 -2.221 5.655 192 HD1 TRP 24 HD TRP 24 5.326 0.937 3.773 193 HE1 TRP 24 1HE TRP 24 7.560 1.094 2.441 194 HE3 TRP 24 3HE TRP 24 6.885 -3.846 4.356 195 HZ2 TRP 24 2HZ TRP 24 9.693 -0.664 1.749 196 HZ3 TRP 24 3HZ TRP 24 9.012 -4.553 3.333 197 HH2 TRP 24 HH TRP 24 10.379 -2.993 2.061 198 H CYS 25 H CYS 25 2.122 -0.243 3.833 199 HA CYS 25 HA CYS 25 2.063 -0.417 0.953 200 HB2 CYS 25 2HB CYS 25 0.646 1.416 2.891 201 HB3 CYS 25 1HB CYS 25 0.508 1.557 1.143 202 H LYS 26 H LYS 26 2.938 0.978 -0.409 203 HA LYS 26 HA LYS 26 4.643 3.124 0.659 204 HB2 LYS 26 2HB LYS 26 6.002 1.167 0.218 205 HB3 LYS 26 1HB LYS 26 5.305 0.995 -1.384 206 HG2 LYS 26 2HG LYS 26 6.327 3.149 -2.018 207 HG3 LYS 26 1HG LYS 26 7.065 3.230 -0.420 208 HD2 LYS 26 2HD LYS 26 7.525 1.046 -2.457 209 HD3 LYS 26 1HD LYS 26 8.631 2.378 -2.124 210 HE2 LYS 26 2HE LYS 26 8.916 1.586 0.165 211 HE3 LYS 26 1HE LYS 26 7.773 0.278 -0.130 212 HZ1 LYS 26 1HZ LYS 26 10.349 0.653 -1.522 213 HZ2 LYS 26 2HZ LYS 26 9.271 -0.607 -1.788 214 HZ3 LYS 26 3HZ LYS 26 10.066 -0.471 -0.313 215 H LYS 27 H LYS 27 4.564 4.974 -0.677 216 HA LYS 27 HA LYS 27 2.557 4.974 -2.781 217 HB2 LYS 27 2HB LYS 27 4.495 7.126 -1.950 218 HB3 LYS 27 1HB LYS 27 3.195 7.322 -3.098 219 HG2 LYS 27 2HG LYS 27 1.577 6.940 -1.295 220 HG3 LYS 27 1HG LYS 27 2.924 6.805 -0.150 221 HD2 LYS 27 2HD LYS 27 3.688 9.041 -0.799 222 HD3 LYS 27 1HD LYS 27 2.329 9.175 -1.903 223 HE2 LYS 27 2HE LYS 27 0.783 9.029 -0.030 224 HE3 LYS 27 1HE LYS 27 2.139 8.869 1.085 225 HZ1 LYS 27 1HZ LYS 27 1.293 11.148 0.962 226 HZ2 LYS 27 2HZ LYS 27 1.668 11.204 -0.680 227 HZ3 LYS 27 3HZ LYS 27 2.901 11.055 0.455 228 H LYS 28 H LYS 28 3.038 5.426 -4.975 229 HA LYS 28 HA LYS 28 5.610 4.511 -5.823 230 HB2 LYS 28 2HB LYS 28 4.803 4.903 -8.097 231 HB3 LYS 28 1HB LYS 28 3.634 3.986 -7.163 232 HG2 LYS 28 2HG LYS 28 2.293 5.966 -6.860 233 HG3 LYS 28 1HG LYS 28 3.491 6.927 -7.732 234 HD2 LYS 28 2HD LYS 28 3.133 5.560 -9.715 235 HD3 LYS 28 1HD LYS 28 1.929 4.614 -8.838 236 HE2 LYS 28 2HE LYS 28 0.857 6.282 -10.215 237 HE3 LYS 28 1HE LYS 28 0.634 6.579 -8.484 238 HZ1 LYS 28 1HZ LYS 28 2.088 8.387 -8.515 239 HZ2 LYS 28 2HZ LYS 28 1.246 8.585 -9.963 240 HZ3 LYS 28 3HZ LYS 28 2.800 7.939 -9.962 241 H LEU 29 H LEU 29 7.294 5.750 -6.524 242 HA LEU 29 HA LEU 29 7.405 8.402 -5.573 243 HB2 LEU 29 2HB LEU 29 9.359 6.882 -5.654 244 HB3 LEU 29 1HB LEU 29 9.316 6.915 -7.397 245 HG LEU 29 HG LEU 29 9.826 9.438 -5.802 246 HD11 LEU 29 1HD1 LEU 29 11.445 7.762 -5.081 247 HD12 LEU 29 2HD1 LEU 29 12.210 9.006 -6.070 248 HD13 LEU 29 3HD1 LEU 29 11.849 7.426 -6.764 249 HD21 LEU 29 1HD2 LEU 29 10.987 10.141 -7.837 250 HD22 LEU 29 2HD2 LEU 29 9.323 9.689 -8.209 251 HD23 LEU 29 3HD2 LEU 29 10.640 8.584 -8.590 252 H TRP 30 H TRP 30 6.989 7.007 -8.736 253 HA TRP 30 HA TRP 30 6.757 9.679 -9.870 254 HB2 TRP 30 2HB TRP 30 8.322 8.041 -10.942 255 HB3 TRP 30 1HB TRP 30 6.939 7.020 -11.309 256 HD1 TRP 30 HD TRP 30 5.499 7.651 -13.401 257 HE1 TRP 30 1HE TRP 30 5.742 9.421 -15.256 258 HE3 TRP 30 3HE TRP 30 9.188 10.509 -11.330 259 HZ2 TRP 30 2HZ TRP 30 7.290 11.710 -15.779 260 HZ3 TRP 30 3HZ TRP 30 9.997 12.475 -12.579 261 HH2 TRP 30 HH TRP 30 9.061 13.056 -14.757 Start of MODEL 20 1 H1 TYR 1 1HT TYR 1 -9.869 0.025 5.372 2 H2 TYR 1 2HT TYR 1 -11.515 0.291 5.486 3 H3 TYR 1 3HT TYR 1 -10.582 1.262 4.462 4 HA TYR 1 HA TYR 1 -11.078 -1.642 4.191 5 HB2 TYR 1 2HB TYR 1 -13.023 -0.101 3.642 6 HB3 TYR 1 1HB TYR 1 -12.015 0.625 2.400 7 HD1 TYR 1 1HD TYR 1 -13.822 -2.395 3.417 8 HD2 TYR 1 2HD TYR 1 -11.632 -0.515 0.297 9 HE1 TYR 1 1HE TYR 1 -14.577 -4.116 1.864 10 HE2 TYR 1 2HE TYR 1 -12.382 -2.237 -1.273 11 HH TYR 1 HH TYR 1 -14.864 -4.460 -0.483 12 H CYS 2 H CYS 2 -9.978 1.215 2.325 13 HA CYS 2 HA CYS 2 -8.030 -0.438 0.958 14 HB2 CYS 2 2HB CYS 2 -9.422 1.444 -0.145 15 HB3 CYS 2 1HB CYS 2 -8.408 2.539 0.796 16 H GLN 3 H GLN 3 -5.809 0.103 1.134 17 HA GLN 3 HA GLN 3 -5.271 0.926 3.870 18 HB2 GLN 3 2HB GLN 3 -3.329 -0.450 2.007 19 HB3 GLN 3 1HB GLN 3 -3.121 -0.140 3.711 20 HG2 GLN 3 2HG GLN 3 -5.168 -1.972 2.497 21 HG3 GLN 3 1HG GLN 3 -3.704 -2.444 3.356 22 HE21 GLN 3 1HE2 GLN 3 -3.620 -2.182 5.574 23 HE22 GLN 3 2HE2 GLN 3 -5.040 -1.942 6.531 24 H LYS 4 H LYS 4 -3.952 2.479 4.486 25 HA LYS 4 HA LYS 4 -3.272 4.491 2.491 26 HB2 LYS 4 2HB LYS 4 -3.174 4.627 5.510 27 HB3 LYS 4 1HB LYS 4 -2.937 5.972 4.406 28 HG2 LYS 4 2HG LYS 4 -5.261 5.718 3.641 29 HG3 LYS 4 1HG LYS 4 -5.483 4.417 4.815 30 HD2 LYS 4 2HD LYS 4 -4.913 5.975 6.616 31 HD3 LYS 4 1HD LYS 4 -4.758 7.276 5.433 32 HE2 LYS 4 2HE LYS 4 -7.148 6.881 4.809 33 HE3 LYS 4 1HE LYS 4 -7.232 5.711 6.120 34 HZ1 LYS 4 1HZ LYS 4 -8.064 7.910 6.773 35 HZ2 LYS 4 2HZ LYS 4 -6.537 8.572 6.500 36 HZ3 LYS 4 3HZ LYS 4 -6.753 7.432 7.703 37 H TRP 5 H TRP 5 -1.173 5.662 3.016 38 HA TRP 5 HA TRP 5 0.971 3.934 2.498 39 HB2 TRP 5 2HB TRP 5 2.376 5.932 2.610 40 HB3 TRP 5 1HB TRP 5 0.902 6.254 1.708 41 HD1 TRP 5 HD TRP 5 2.778 7.261 4.834 42 HE1 TRP 5 1HE TRP 5 1.626 9.309 5.921 43 HE3 TRP 5 3HE TRP 5 -1.487 7.422 2.013 44 HZ2 TRP 5 2HZ TRP 5 -0.751 10.763 5.625 45 HZ3 TRP 5 3HZ TRP 5 -3.144 9.160 2.495 46 HH2 TRP 5 HH TRP 5 -2.782 10.796 4.258 47 H MET 6 H MET 6 -0.225 5.174 5.486 48 HA MET 6 HA MET 6 2.174 4.549 6.972 49 HB2 MET 6 2HB MET 6 0.747 6.495 7.518 50 HB3 MET 6 1HB MET 6 -0.565 5.393 7.907 51 HG2 MET 6 2HG MET 6 0.635 4.508 9.749 52 HG3 MET 6 1HG MET 6 2.073 5.413 9.280 53 HE1 MET 6 1HE MET 6 0.978 7.204 12.610 54 HE2 MET 6 2HE MET 6 2.304 6.432 11.739 55 HE3 MET 6 3HE MET 6 0.899 5.483 12.232 56 H TRP 7 H TRP 7 -0.396 2.908 5.818 57 HA TRP 7 HA TRP 7 -0.550 0.920 7.973 58 HB2 TRP 7 2HB TRP 7 -2.279 1.306 5.514 59 HB3 TRP 7 1HB TRP 7 -2.525 0.051 6.714 60 HD1 TRP 7 HD TRP 7 -1.690 3.132 8.562 61 HE1 TRP 7 1HE TRP 7 -3.817 4.312 9.392 62 HE3 TRP 7 3HE TRP 7 -5.142 0.608 5.795 63 HZ2 TRP 7 2HZ TRP 7 -6.591 4.190 8.924 64 HZ3 TRP 7 3HZ TRP 7 -7.506 1.203 6.027 65 HH2 TRP 7 HH TRP 7 -8.217 2.958 7.568 66 H THR 8 H THR 8 -1.059 -1.402 6.767 67 HA THR 8 HA THR 8 1.063 -1.744 4.791 68 HB THR 8 HB THR 8 1.533 -3.965 5.839 69 HG1 THR 8 1HG THR 8 0.460 -4.624 7.604 70 HG21 THR 8 1HG2 THR 8 2.610 -3.171 7.908 71 HG22 THR 8 2HG2 THR 8 1.640 -1.700 7.848 72 HG23 THR 8 3HG2 THR 8 2.847 -1.994 6.613 73 H CYS 9 H CYS 9 0.578 -3.901 3.348 74 HA CYS 9 HA CYS 9 -2.242 -4.506 3.611 75 HB2 CYS 9 2HB CYS 9 -2.599 -4.343 1.203 76 HB3 CYS 9 1HB CYS 9 -2.116 -2.795 1.881 77 H ASP 10 H ASP 10 -2.861 -6.415 2.339 78 HA ASP 10 HA ASP 10 -0.788 -8.287 1.694 79 HB2 ASP 10 2HB ASP 10 -2.669 -8.790 4.045 80 HB3 ASP 10 1HB ASP 10 -1.776 -10.068 3.236 81 H SER 11 H SER 11 -3.048 -10.398 2.135 82 HA SER 11 HA SER 11 -3.975 -10.152 -0.552 83 HB2 SER 11 2HB SER 11 -3.349 -12.311 0.570 84 HB3 SER 11 1HB SER 11 -4.795 -12.154 1.556 85 HG SER 11 HG SER 11 -5.716 -13.174 0.022 86 H GLU 12 H GLU 12 -5.542 -9.942 2.644 87 HA GLU 12 HA GLU 12 -8.147 -9.519 1.477 88 HB2 GLU 12 2HB GLU 12 -7.215 -9.401 4.343 89 HB3 GLU 12 1HB GLU 12 -8.887 -9.282 3.817 90 HG2 GLU 12 2HG GLU 12 -7.107 -11.651 3.316 91 HG3 GLU 12 1HG GLU 12 -8.261 -11.531 4.640 92 H ARG 13 H ARG 13 -5.804 -7.568 3.231 93 HA ARG 13 HA ARG 13 -7.386 -5.181 2.695 94 HB2 ARG 13 2HB ARG 13 -4.805 -5.568 4.199 95 HB3 ARG 13 1HB ARG 13 -5.634 -4.037 4.006 96 HG2 ARG 13 2HG ARG 13 -6.858 -6.424 5.297 97 HG3 ARG 13 1HG ARG 13 -5.966 -5.194 6.213 98 HD2 ARG 13 2HD ARG 13 -8.247 -4.646 6.442 99 HD3 ARG 13 1HD ARG 13 -7.635 -3.542 5.222 100 HE ARG 13 HE ARG 13 -8.648 -5.649 3.799 101 HH11 ARG 13 1HH1 ARG 13 -9.994 -3.430 6.212 102 HH12 ARG 13 2HH1 ARG 13 -11.589 -3.517 5.596 103 HH21 ARG 13 1HH2 ARG 13 -10.856 -5.712 2.929 104 HH22 ARG 13 2HH2 ARG 13 -12.062 -4.812 3.732 105 H LYS 14 H LYS 14 -7.137 -4.355 0.844 106 HA LYS 14 HA LYS 14 -4.577 -4.678 -0.554 107 HB2 LYS 14 2HB LYS 14 -7.215 -3.767 -1.720 108 HB3 LYS 14 1HB LYS 14 -5.743 -4.132 -2.602 109 HG2 LYS 14 2HG LYS 14 -5.938 -6.493 -1.894 110 HG3 LYS 14 1HG LYS 14 -7.436 -6.093 -1.067 111 HD2 LYS 14 2HD LYS 14 -7.949 -7.066 -3.215 112 HD3 LYS 14 1HD LYS 14 -8.402 -5.365 -3.227 113 HE2 LYS 14 2HE LYS 14 -7.313 -5.994 -5.313 114 HE3 LYS 14 1HE LYS 14 -6.322 -4.836 -4.440 115 HZ1 LYS 14 1HZ LYS 14 -5.901 -7.781 -4.451 116 HZ2 LYS 14 2HZ LYS 14 -4.904 -6.643 -3.697 117 HZ3 LYS 14 3HZ LYS 14 -5.022 -6.681 -5.361 118 H CYS 15 H CYS 15 -3.457 -2.950 -1.268 119 HA CYS 15 HA CYS 15 -3.963 -0.514 0.193 120 HB2 CYS 15 2HB CYS 15 -1.703 -1.702 -0.054 121 HB3 CYS 15 1HB CYS 15 -1.685 -1.066 -1.690 122 H CYS 16 H CYS 16 -3.703 1.566 -0.945 123 HA CYS 16 HA CYS 16 -5.548 1.568 -3.100 124 HB2 CYS 16 2HB CYS 16 -4.076 3.844 -1.780 125 HB3 CYS 16 1HB CYS 16 -5.389 4.016 -2.940 126 H LYS 17 H LYS 17 -5.231 2.287 -5.193 127 HA LYS 17 HA LYS 17 -2.703 1.744 -6.330 128 HB2 LYS 17 2HB LYS 17 -5.372 2.420 -7.342 129 HB3 LYS 17 1HB LYS 17 -4.075 3.097 -8.312 130 HG2 LYS 17 2HG LYS 17 -4.838 0.894 -9.135 131 HG3 LYS 17 1HG LYS 17 -3.136 0.909 -8.699 132 HD2 LYS 17 2HD LYS 17 -4.106 -1.149 -7.925 133 HD3 LYS 17 1HD LYS 17 -3.753 -0.152 -6.519 134 HE2 LYS 17 2HE LYS 17 -5.903 -1.210 -6.245 135 HE3 LYS 17 1HE LYS 17 -6.127 0.526 -6.449 136 HZ1 LYS 17 1HZ LYS 17 -6.454 -1.492 -8.597 137 HZ2 LYS 17 2HZ LYS 17 -6.835 0.155 -8.718 138 HZ3 LYS 17 3HZ LYS 17 -7.708 -0.856 -7.693 139 H GLY 18 H GLY 18 -1.198 3.059 -7.233 140 HA2 GLY 18 2HA GLY 18 -0.300 5.270 -7.618 141 HA3 GLY 18 1HA GLY 18 -1.261 5.827 -6.238 142 H MET 19 H MET 19 -0.725 3.248 -4.931 143 HA MET 19 HA MET 19 2.020 3.706 -3.971 144 HB2 MET 19 2HB MET 19 -0.334 2.382 -2.599 145 HB3 MET 19 1HB MET 19 1.264 2.600 -1.907 146 HG2 MET 19 2HG MET 19 0.993 4.946 -1.861 147 HG3 MET 19 1HG MET 19 -0.556 4.848 -2.718 148 HE1 MET 19 1HE MET 19 -1.777 5.957 0.745 149 HE2 MET 19 2HE MET 19 -1.826 6.226 -0.998 150 HE3 MET 19 3HE MET 19 -0.333 6.517 -0.101 151 H VAL 20 H VAL 20 2.905 1.562 -3.119 152 HA VAL 20 HA VAL 20 2.218 -0.587 -4.980 153 HB VAL 20 HB VAL 20 4.697 -0.240 -3.250 154 HG11 VAL 20 1HG1 VAL 20 4.203 -2.575 -3.715 155 HG12 VAL 20 2HG1 VAL 20 5.641 -2.061 -4.599 156 HG13 VAL 20 3HG1 VAL 20 4.102 -2.224 -5.440 157 HG21 VAL 20 1HG2 VAL 20 5.888 0.235 -5.352 158 HG22 VAL 20 2HG2 VAL 20 4.665 1.448 -4.980 159 HG23 VAL 20 3HG2 VAL 20 4.345 0.223 -6.208 160 H CYS 21 H CYS 21 1.225 -2.297 -4.135 161 HA CYS 21 HA CYS 21 0.716 -2.312 -1.304 162 HB2 CYS 21 2HB CYS 21 -1.068 -2.849 -3.023 163 HB3 CYS 21 1HB CYS 21 -0.186 -4.330 -3.380 164 H ARG 22 H ARG 22 2.203 -3.078 -0.078 165 HA ARG 22 HA ARG 22 3.706 -5.458 -0.831 166 HB2 ARG 22 2HB ARG 22 4.858 -3.258 -1.503 167 HB3 ARG 22 1HB ARG 22 4.909 -2.856 0.196 168 HG2 ARG 22 2HG ARG 22 7.049 -3.634 -0.613 169 HG3 ARG 22 1HG ARG 22 6.441 -4.754 0.591 170 HD2 ARG 22 2HD ARG 22 7.372 -5.989 -1.254 171 HD3 ARG 22 1HD ARG 22 5.624 -6.196 -1.260 172 HE ARG 22 HE ARG 22 6.815 -4.144 -2.955 173 HH11 ARG 22 1HH1 ARG 22 5.167 -7.286 -2.702 174 HH12 ARG 22 2HH1 ARG 22 4.841 -7.401 -4.364 175 HH21 ARG 22 1HH2 ARG 22 6.309 -4.321 -5.293 176 HH22 ARG 22 2HH2 ARG 22 5.456 -5.679 -5.834 177 H LEU 23 H LEU 23 5.269 -5.593 1.380 178 HA LEU 23 HA LEU 23 3.907 -6.524 3.527 179 HB2 LEU 23 2HB LEU 23 6.515 -5.028 3.567 180 HB3 LEU 23 1HB LEU 23 5.960 -6.133 4.810 181 HG LEU 23 HG LEU 23 6.578 -6.920 1.962 182 HD11 LEU 23 1HD1 LEU 23 8.203 -7.265 4.473 183 HD12 LEU 23 2HD1 LEU 23 8.556 -6.142 3.161 184 HD13 LEU 23 3HD1 LEU 23 8.612 -7.877 2.868 185 HD21 LEU 23 1HD2 LEU 23 4.949 -8.373 3.097 186 HD22 LEU 23 2HD2 LEU 23 6.083 -8.585 4.433 187 HD23 LEU 23 3HD2 LEU 23 6.482 -9.195 2.831 188 H TRP 24 H TRP 24 4.658 -3.227 2.720 189 HA TRP 24 HA TRP 24 2.787 -2.347 4.675 190 HB2 TRP 24 2HB TRP 24 4.198 -0.495 5.401 191 HB3 TRP 24 1HB TRP 24 5.110 -1.981 5.624 192 HD1 TRP 24 HD TRP 24 5.001 1.184 3.678 193 HE1 TRP 24 1HE TRP 24 7.228 1.527 2.380 194 HE3 TRP 24 3HE TRP 24 7.084 -3.350 4.547 195 HZ2 TRP 24 2HZ TRP 24 9.561 0.005 1.824 196 HZ3 TRP 24 3HZ TRP 24 9.301 -3.856 3.605 197 HH2 TRP 24 HH TRP 24 10.507 -2.206 2.274 198 H CYS 25 H CYS 25 2.027 -0.030 3.871 199 HA CYS 25 HA CYS 25 1.982 -0.115 1.008 200 HB2 CYS 25 2HB CYS 25 0.644 1.640 3.028 201 HB3 CYS 25 1HB CYS 25 0.624 2.034 1.311 202 H LYS 26 H LYS 26 3.073 1.033 -0.338 203 HA LYS 26 HA LYS 26 4.889 3.057 0.753 204 HB2 LYS 26 2HB LYS 26 6.033 0.923 0.523 205 HB3 LYS 26 1HB LYS 26 5.491 0.791 -1.137 206 HG2 LYS 26 2HG LYS 26 6.838 2.711 -1.739 207 HG3 LYS 26 1HG LYS 26 7.355 2.874 -0.060 208 HD2 LYS 26 2HD LYS 26 8.342 0.649 -0.132 209 HD3 LYS 26 1HD LYS 26 7.793 0.443 -1.790 210 HE2 LYS 26 2HE LYS 26 9.218 2.379 -2.436 211 HE3 LYS 26 1HE LYS 26 9.820 2.429 -0.780 212 HZ1 LYS 26 1HZ LYS 26 11.328 1.160 -2.175 213 HZ2 LYS 26 2HZ LYS 26 10.078 0.147 -2.648 214 HZ3 LYS 26 3HZ LYS 26 10.585 0.151 -1.055 215 H LYS 27 H LYS 27 4.608 4.894 -0.360 216 HA LYS 27 HA LYS 27 2.946 5.055 -2.643 217 HB2 LYS 27 2HB LYS 27 4.880 7.047 -1.499 218 HB3 LYS 27 1HB LYS 27 3.824 7.393 -2.845 219 HG2 LYS 27 2HG LYS 27 1.858 7.016 -1.464 220 HG3 LYS 27 1HG LYS 27 2.882 6.605 -0.091 221 HD2 LYS 27 2HD LYS 27 2.054 8.911 0.067 222 HD3 LYS 27 1HD LYS 27 3.805 8.869 -0.093 223 HE2 LYS 27 2HE LYS 27 2.806 10.640 -1.466 224 HE3 LYS 27 1HE LYS 27 3.627 9.447 -2.459 225 HZ1 LYS 27 1HZ LYS 27 1.473 8.483 -3.030 226 HZ2 LYS 27 2HZ LYS 27 1.471 10.127 -3.357 227 HZ3 LYS 27 3HZ LYS 27 0.694 9.560 -1.992 228 H LYS 28 H LYS 28 3.417 5.357 -4.747 229 HA LYS 28 HA LYS 28 6.095 4.444 -5.471 230 HB2 LYS 28 2HB LYS 28 3.988 3.116 -6.142 231 HB3 LYS 28 1HB LYS 28 3.678 4.435 -7.259 232 HG2 LYS 28 2HG LYS 28 5.819 4.022 -8.364 233 HG3 LYS 28 1HG LYS 28 6.148 2.710 -7.234 234 HD2 LYS 28 2HD LYS 28 5.340 1.690 -9.212 235 HD3 LYS 28 1HD LYS 28 4.010 1.634 -8.055 236 HE2 LYS 28 2HE LYS 28 3.082 2.277 -10.126 237 HE3 LYS 28 1HE LYS 28 3.137 3.740 -9.149 238 HZ1 LYS 28 1HZ LYS 28 5.354 4.181 -10.370 239 HZ2 LYS 28 2HZ LYS 28 3.926 4.383 -11.208 240 HZ3 LYS 28 3HZ LYS 28 4.842 3.000 -11.454 241 H LEU 29 H LEU 29 7.276 6.163 -5.809 242 HA LEU 29 HA LEU 29 6.098 8.503 -7.048 243 HB2 LEU 29 2HB LEU 29 8.842 8.043 -5.885 244 HB3 LEU 29 1HB LEU 29 8.378 9.530 -6.677 245 HG LEU 29 HG LEU 29 8.289 9.938 -4.370 246 HD11 LEU 29 1HD1 LEU 29 6.472 10.939 -5.552 247 HD12 LEU 29 2HD1 LEU 29 5.979 10.509 -3.917 248 HD13 LEU 29 3HD1 LEU 29 5.463 9.516 -5.277 249 HD21 LEU 29 1HD2 LEU 29 6.967 8.623 -2.755 250 HD22 LEU 29 2HD2 LEU 29 8.260 7.678 -3.492 251 HD23 LEU 29 3HD2 LEU 29 6.593 7.462 -4.030 252 H TRP 30 H TRP 30 8.044 5.819 -7.810 253 HA TRP 30 HA TRP 30 8.629 6.928 -10.448 254 HB2 TRP 30 2HB TRP 30 10.429 5.701 -9.075 255 HB3 TRP 30 1HB TRP 30 9.474 4.247 -9.306 256 HD1 TRP 30 HD TRP 30 11.957 6.490 -11.015 257 HE1 TRP 30 1HE TRP 30 12.630 5.496 -13.293 258 HE3 TRP 30 3HE TRP 30 8.472 2.763 -11.370 259 HZ2 TRP 30 2HZ TRP 30 11.816 3.424 -15.001 260 HZ3 TRP 30 3HZ TRP 30 8.494 1.313 -13.357 261 HH2 TRP 30 HH TRP 30 10.132 1.642 -15.137
Contact the webmaster for help, if required. Friday, June 28, 2024 11:09:38 AM GMT (wattos1)