NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
280092 | 2kit | 16295 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASN 1 1H ASN 1 -24.293 -5.286 4.517 2 H2 ASN 1 2H ASN 1 -23.633 -5.120 2.960 3 H3 ASN 1 3H ASN 1 -25.043 -6.038 3.196 4 HA ASN 1 HA ASN 1 -25.163 -3.593 2.293 5 HB2 ASN 1 1HB ASN 1 -27.063 -4.487 4.471 6 HB3 ASN 1 2HB ASN 1 -27.433 -3.539 3.030 7 HD21 ASN 1 2HD2 ASN 1 -26.610 -4.850 0.896 8 HD22 ASN 1 1HD2 ASN 1 -27.113 -6.470 0.855 9 H GLU 2 H GLU 2 -25.457 -4.117 5.829 10 HA GLU 2 HA GLU 2 -25.376 -1.349 6.504 11 HB2 GLU 2 1HB GLU 2 -26.142 -2.984 8.125 12 HB3 GLU 2 2HB GLU 2 -24.578 -3.800 8.101 13 HG2 GLU 2 1HG GLU 2 -23.488 -1.969 9.161 14 HG3 GLU 2 2HG GLU 2 -24.857 -0.893 8.878 15 H LEU 3 H LEU 3 -22.814 -3.725 6.011 16 HA LEU 3 HA LEU 3 -20.576 -2.452 7.069 17 HB2 LEU 3 1HB LEU 3 -20.629 -3.655 4.294 18 HB3 LEU 3 2HB LEU 3 -19.247 -3.528 5.381 19 HG LEU 3 HG LEU 3 -21.633 -5.370 5.561 20 HD11 LEU 3 1HD1 LEU 3 -19.900 -7.056 5.800 21 HD12 LEU 3 2HD1 LEU 3 -18.662 -5.806 5.953 22 HD13 LEU 3 3HD1 LEU 3 -19.500 -6.032 4.419 23 HD21 LEU 3 3HD2 LEU 3 -21.557 -4.445 7.793 24 HD22 LEU 3 1HD2 LEU 3 -19.794 -4.517 7.823 25 HD23 LEU 3 2HD2 LEU 3 -20.738 -6.005 7.859 26 H ASP 4 H ASP 4 -18.902 -1.143 5.931 27 HA ASP 4 HA ASP 4 -20.052 1.208 4.731 28 HB2 ASP 4 1HB ASP 4 -17.281 0.216 5.255 29 HB3 ASP 4 2HB ASP 4 -17.494 1.588 4.182 30 H VAL 5 H VAL 5 -18.772 1.852 2.506 31 HA VAL 5 HA VAL 5 -19.409 -0.392 0.652 32 HB VAL 5 HB VAL 5 -19.749 2.568 0.556 33 HG11 VAL 5 1HG1 VAL 5 -20.144 2.383 -1.931 34 HG12 VAL 5 2HG1 VAL 5 -19.385 0.793 -1.876 35 HG13 VAL 5 3HG1 VAL 5 -18.443 2.234 -1.473 36 HG21 VAL 5 3HG2 VAL 5 -21.953 1.968 -0.147 37 HG22 VAL 5 1HG2 VAL 5 -21.513 0.897 1.192 38 HG23 VAL 5 2HG2 VAL 5 -21.456 0.305 -0.474 39 HA PRO 6 HA PRO 6 -15.276 0.939 -1.077 40 HB2 PRO 6 1HB PRO 6 -14.019 3.169 -0.421 41 HB3 PRO 6 2HB PRO 6 -15.558 3.281 -1.309 42 HG2 PRO 6 1HG PRO 6 -15.085 3.506 1.640 43 HG3 PRO 6 2HG PRO 6 -15.930 4.640 0.561 44 HD2 PRO 6 1HD PRO 6 -17.269 2.725 2.005 45 HD3 PRO 6 2HD PRO 6 -17.813 3.324 0.431 46 H GLU 7 H GLU 7 -15.813 -0.197 1.623 47 HA GLU 7 HA GLU 7 -13.686 0.275 3.420 48 HB2 GLU 7 1HB GLU 7 -15.881 -1.483 3.284 49 HB3 GLU 7 2HB GLU 7 -14.498 -2.570 3.332 50 HG2 GLU 7 1HG GLU 7 -14.982 -0.303 5.291 51 HG3 GLU 7 2HG GLU 7 -15.366 -1.996 5.602 52 H GLN 8 H GLN 8 -13.786 -1.842 0.558 53 HA GLN 8 HA GLN 8 -11.357 -3.213 0.951 54 HB2 GLN 8 1HB GLN 8 -12.061 -2.045 -1.747 55 HB3 GLN 8 2HB GLN 8 -11.341 -3.613 -1.375 56 HG2 GLN 8 1HG GLN 8 -13.565 -4.126 -0.149 57 HG3 GLN 8 2HG GLN 8 -14.209 -2.735 -1.024 58 HE21 GLN 8 2HE2 GLN 8 -12.874 -6.004 -1.434 59 HE22 GLN 8 1HE2 GLN 8 -13.392 -6.199 -3.039 60 H VAL 9 H VAL 9 -11.916 0.038 -0.327 61 HA VAL 9 HA VAL 9 -9.375 0.884 -1.034 62 HB VAL 9 HB VAL 9 -11.361 2.424 0.651 63 HG11 VAL 9 1HG1 VAL 9 -9.431 3.701 0.698 64 HG12 VAL 9 2HG1 VAL 9 -10.279 4.350 -0.711 65 HG13 VAL 9 3HG1 VAL 9 -8.944 3.218 -0.933 66 HG21 VAL 9 3HG2 VAL 9 -12.529 1.641 -1.257 67 HG22 VAL 9 1HG2 VAL 9 -11.151 1.945 -2.318 68 HG23 VAL 9 2HG2 VAL 9 -12.057 3.300 -1.642 69 H ASP 10 H ASP 10 -10.745 1.631 2.128 70 HA ASP 10 HA ASP 10 -8.454 2.302 3.518 71 HB2 ASP 10 1HB ASP 10 -10.627 2.524 4.499 72 HB3 ASP 10 2HB ASP 10 -10.925 0.785 4.402 73 H LYS 11 H LYS 11 -9.549 -0.925 2.646 74 HA LYS 11 HA LYS 11 -7.458 -2.234 4.233 75 HB2 LYS 11 1HB LYS 11 -9.277 -3.324 2.063 76 HB3 LYS 11 2HB LYS 11 -8.221 -4.295 3.085 77 HG2 LYS 11 1HG LYS 11 -9.440 -3.522 5.078 78 HG3 LYS 11 2HG LYS 11 -10.494 -2.544 4.060 79 HD2 LYS 11 1HD LYS 11 -11.054 -4.718 2.817 80 HD3 LYS 11 2HD LYS 11 -10.276 -5.557 4.160 81 HE2 LYS 11 1HE LYS 11 -11.823 -4.213 5.700 82 HE3 LYS 11 2HE LYS 11 -12.716 -3.781 4.242 83 HZ1 LYS 11 3HZ LYS 11 -13.569 -5.777 5.422 84 HZ2 LYS 11 1HZ LYS 11 -12.122 -6.575 5.035 85 HZ3 LYS 11 2HZ LYS 11 -13.161 -6.054 3.796 86 H LEU 12 H LEU 12 -8.057 -1.339 0.858 87 HA LEU 12 HA LEU 12 -5.753 -2.529 -0.276 88 HB2 LEU 12 1HB LEU 12 -7.279 -0.067 -0.918 89 HB3 LEU 12 2HB LEU 12 -5.955 -0.614 -1.892 90 HG LEU 12 HG LEU 12 -8.686 -1.395 -2.052 91 HD11 LEU 12 1HD1 LEU 12 -7.125 -1.073 -3.899 92 HD12 LEU 12 2HD1 LEU 12 -7.865 -2.675 -3.987 93 HD13 LEU 12 3HD1 LEU 12 -6.215 -2.491 -3.372 94 HD21 LEU 12 3HD2 LEU 12 -8.083 -3.215 -0.366 95 HD22 LEU 12 1HD2 LEU 12 -6.969 -3.841 -1.578 96 HD23 LEU 12 2HD2 LEU 12 -8.693 -3.779 -1.908 97 H ILE 13 H ILE 13 -6.240 0.773 0.929 98 HA ILE 13 HA ILE 13 -3.754 1.892 0.783 99 HB ILE 13 HB ILE 13 -5.960 1.887 2.799 100 HG12 ILE 13 1HG1 ILE 13 -5.929 4.293 2.270 101 HG13 ILE 13 2HG1 ILE 13 -4.541 4.046 1.222 102 HG21 ILE 13 1HG2 ILE 13 -4.667 3.653 4.119 103 HG22 ILE 13 2HG2 ILE 13 -3.213 3.016 3.340 104 HG23 ILE 13 3HG2 ILE 13 -4.192 1.970 4.374 105 HD11 ILE 13 3HD1 ILE 13 -5.908 2.487 -0.147 106 HD12 ILE 13 1HD1 ILE 13 -6.603 4.105 -0.094 107 HD13 ILE 13 2HD1 ILE 13 -7.287 2.823 0.898 108 H GLN 14 H GLN 14 -4.789 -0.335 3.406 109 HA GLN 14 HA GLN 14 -2.353 -0.494 4.779 110 HB2 GLN 14 1HB GLN 14 -4.317 -2.739 4.243 111 HB3 GLN 14 2HB GLN 14 -3.089 -2.729 5.483 112 HG2 GLN 14 1HG GLN 14 -4.118 -0.712 6.489 113 HG3 GLN 14 2HG GLN 14 -5.392 -0.798 5.276 114 HE21 GLN 14 2HE2 GLN 14 -7.081 -1.255 6.842 115 HE22 GLN 14 1HE2 GLN 14 -7.161 -2.740 7.660 116 H GLN 15 H GLN 15 -3.464 -2.350 1.940 117 HA GLN 15 HA GLN 15 -1.100 -3.917 1.636 118 HB2 GLN 15 1HB GLN 15 -2.718 -2.788 -0.664 119 HB3 GLN 15 2HB GLN 15 -1.775 -4.275 -0.644 120 HG2 GLN 15 1HG GLN 15 -3.309 -5.211 1.063 121 HG3 GLN 15 2HG GLN 15 -4.272 -3.738 0.985 122 HE21 GLN 15 2HE2 GLN 15 -3.956 -3.405 -1.944 123 HE22 GLN 15 1HE2 GLN 15 -4.900 -4.617 -2.665 124 H ALA 16 H ALA 16 -2.009 -0.872 0.039 125 HA ALA 16 HA ALA 16 0.398 -0.285 -1.270 126 HB1 ALA 16 3HB ALA 16 -1.456 1.661 0.145 127 HB2 ALA 16 1HB ALA 16 -1.642 1.080 -1.510 128 HB3 ALA 16 2HB ALA 16 -0.264 2.094 -1.082 129 H THR 17 H THR 17 -0.469 0.401 2.141 130 HA THR 17 HA THR 17 1.868 1.835 2.814 131 HB THR 17 HB THR 17 -0.141 0.178 4.311 132 HG1 THR 17 HG1 THR 17 0.269 2.716 3.693 133 HG21 THR 17 3HG2 THR 17 1.074 0.930 6.427 134 HG22 THR 17 1HG2 THR 17 2.477 1.200 5.394 135 HG23 THR 17 2HG2 THR 17 1.790 -0.416 5.541 136 H SER 18 H SER 18 1.219 -1.681 2.835 137 HA SER 18 HA SER 18 3.783 -2.439 3.854 138 HB2 SER 18 1HB SER 18 3.104 -4.614 3.420 139 HB3 SER 18 2HB SER 18 1.538 -3.814 3.395 140 HG SER 18 HG SER 18 1.483 -3.961 1.254 141 H ILE 19 H ILE 19 2.556 -2.062 0.511 142 HA ILE 19 HA ILE 19 4.810 -2.875 -0.909 143 HB ILE 19 HB ILE 19 2.621 -0.865 -1.339 144 HG12 ILE 19 1HG1 ILE 19 2.342 -2.379 -3.420 145 HG13 ILE 19 2HG1 ILE 19 3.487 -3.444 -2.635 146 HG21 ILE 19 1HG2 ILE 19 3.572 -0.558 -3.700 147 HG22 ILE 19 2HG2 ILE 19 5.098 -1.133 -3.019 148 HG23 ILE 19 3HG2 ILE 19 4.345 0.332 -2.390 149 HD11 ILE 19 3HD1 ILE 19 1.245 -4.165 -2.077 150 HD12 ILE 19 1HD1 ILE 19 0.830 -2.547 -1.523 151 HD13 ILE 19 2HD1 ILE 19 2.007 -3.509 -0.633 152 H GLU 20 H GLU 20 4.158 0.250 0.672 153 HA GLU 20 HA GLU 20 6.416 1.671 -0.252 154 HB2 GLU 20 1HB GLU 20 4.446 2.411 1.318 155 HB3 GLU 20 2HB GLU 20 5.506 1.886 2.621 156 HG2 GLU 20 1HG GLU 20 7.269 3.401 1.829 157 HG3 GLU 20 2HG GLU 20 6.253 3.897 0.475 158 H ARG 21 H ARG 21 6.096 -0.468 2.580 159 HA ARG 21 HA ARG 21 8.800 -0.265 3.455 160 HB2 ARG 21 1HB ARG 21 6.627 -2.333 3.780 161 HB3 ARG 21 2HB ARG 21 8.250 -2.673 4.367 162 HG2 ARG 21 1HG ARG 21 7.032 -1.734 6.210 163 HG3 ARG 21 2HG ARG 21 8.137 -0.481 5.651 164 HD2 ARG 21 1HD ARG 21 6.351 0.615 4.418 165 HD3 ARG 21 2HD ARG 21 5.240 -0.702 4.785 166 HE ARG 21 HE ARG 21 4.961 0.198 6.962 167 HH11 ARG 21 1HH2 ARG 21 7.613 1.605 5.262 168 HH12 ARG 21 2HH2 ARG 21 7.861 2.866 6.423 169 HH21 ARG 21 1HH1 ARG 21 5.270 1.841 8.486 170 HH22 ARG 21 2HH1 ARG 21 6.535 2.999 8.247 171 H LEU 22 H LEU 22 7.225 -2.570 1.225 172 HA LEU 22 HA LEU 22 9.579 -4.098 0.653 173 HB2 LEU 22 1HB LEU 22 7.318 -3.539 -1.282 174 HB3 LEU 22 2HB LEU 22 8.378 -4.933 -1.246 175 HG LEU 22 HG LEU 22 6.154 -4.251 0.613 176 HD11 LEU 22 1HD1 LEU 22 5.477 -6.550 0.134 177 HD12 LEU 22 2HD1 LEU 22 6.957 -6.792 -0.794 178 HD13 LEU 22 3HD1 LEU 22 5.730 -5.664 -1.370 179 HD21 LEU 22 3HD2 LEU 22 8.485 -6.096 1.155 180 HD22 LEU 22 1HD2 LEU 22 6.947 -6.229 2.006 181 HD23 LEU 22 2HD2 LEU 22 7.917 -4.766 2.166 182 H CYS 23 H CYS 23 8.013 -1.570 -1.318 183 HA CYS 23 HA CYS 23 9.916 -1.202 -3.292 184 HB2 CYS 23 1HB CYS 23 8.075 0.670 -1.844 185 HB3 CYS 23 2HB CYS 23 9.242 1.349 -2.974 186 HG CYS 23 HG CYS 23 6.792 -0.326 -3.733 187 H GLN 24 H GLN 24 9.943 0.540 -0.143 188 HA GLN 24 HA GLN 24 12.363 1.891 -0.452 189 HB2 GLN 24 1HB GLN 24 10.992 0.676 1.946 190 HB3 GLN 24 2HB GLN 24 12.536 1.499 2.117 191 HG2 GLN 24 1HG GLN 24 10.179 2.784 0.734 192 HG3 GLN 24 2HG GLN 24 10.453 2.941 2.470 193 HE21 GLN 24 2HE2 GLN 24 13.238 3.218 2.601 194 HE22 GLN 24 1HE2 GLN 24 13.716 4.623 1.776 195 H HIS 25 H HIS 25 11.779 -1.488 -0.129 196 HA HIS 25 HA HIS 25 14.616 -2.087 0.519 197 HB2 HIS 25 1HB HIS 25 12.426 -3.277 1.442 198 HB3 HIS 25 2HB HIS 25 12.533 -4.192 -0.052 199 HD1 HIS 25 HD1 HIS 25 13.651 -6.363 0.438 200 HD2 HIS 25 HD2 HIS 25 15.425 -3.228 2.542 201 HE1 HIS 25 HE1 HIS 25 15.610 -7.362 1.698 202 HE2 HIS 25 HE2 HIS 25 16.697 -5.463 2.981 203 H TYR 26 H TYR 26 12.231 -3.319 -1.811 204 HA TYR 26 HA TYR 26 14.051 -4.482 -3.606 205 HB2 TYR 26 1HB TYR 26 11.279 -3.350 -3.987 206 HB3 TYR 26 2HB TYR 26 12.155 -4.121 -5.307 207 HD1 TYR 26 HD2 TYR 26 10.613 -4.648 -1.991 208 HD2 TYR 26 HD1 TYR 26 12.606 -6.508 -5.310 209 HE1 TYR 26 HE2 TYR 26 9.979 -6.879 -1.119 210 HE2 TYR 26 HE1 TYR 26 11.972 -8.742 -4.436 211 HH TYR 26 HH TYR 26 9.877 -9.544 -2.785 212 H ILE 27 H ILE 27 12.336 -1.403 -4.433 213 HA ILE 27 HA ILE 27 14.538 -0.792 -6.272 214 HB ILE 27 HB ILE 27 12.173 -0.353 -6.904 215 HG12 ILE 27 1HG1 ILE 27 13.868 2.139 -6.738 216 HG13 ILE 27 2HG1 ILE 27 14.094 0.858 -7.918 217 HG21 ILE 27 1HG2 ILE 27 11.347 0.339 -4.719 218 HG22 ILE 27 2HG2 ILE 27 11.028 1.565 -5.942 219 HG23 ILE 27 3HG2 ILE 27 12.338 1.786 -4.801 220 HD11 ILE 27 3HD1 ILE 27 12.756 2.554 -8.972 221 HD12 ILE 27 1HD1 ILE 27 11.666 2.624 -7.588 222 HD13 ILE 27 2HD1 ILE 27 11.696 1.192 -8.617 223 H GLY 28 H GLY 28 13.312 0.468 -3.189 224 HA2 GLY 28 1HA GLY 28 15.116 1.350 -1.656 225 HA3 GLY 28 2HA GLY 28 15.744 2.235 -3.042 226 H TRP 29 H TRP 29 13.253 3.092 -4.101 227 HA TRP 29 HA TRP 29 12.208 4.913 -1.958 228 HB2 TRP 29 1HB TRP 29 12.144 6.713 -3.612 229 HB3 TRP 29 2HB TRP 29 13.780 6.059 -3.537 230 HD1 TRP 29 HD1 TRP 29 14.163 3.934 -5.371 231 HE1 TRP 29 HE1 TRP 29 13.482 3.886 -7.858 232 HE3 TRP 29 HE3 TRP 29 10.707 7.687 -5.414 233 HZ2 TRP 29 HZ2 TRP 29 11.744 5.272 -9.631 234 HZ3 TRP 29 HZ3 TRP 29 9.560 8.312 -7.523 235 HH2 TRP 29 HH2 TRP 29 10.072 7.105 -9.630 236 H CYS 30 H CYS 30 10.164 6.102 -3.377 237 HA CYS 30 HA CYS 30 8.298 3.854 -3.708 238 HB2 CYS 30 1HB CYS 30 6.683 5.852 -4.097 239 HB3 CYS 30 2HB CYS 30 7.369 5.637 -2.489 240 HG CYS 30 HG CYS 30 8.760 7.597 -4.477 241 HA PRO 31 HA PRO 31 9.170 4.305 -8.164 242 HB2 PRO 31 1HB PRO 31 7.919 2.023 -9.031 243 HB3 PRO 31 2HB PRO 31 9.548 2.048 -8.344 244 HG2 PRO 31 1HG PRO 31 7.006 1.172 -7.112 245 HG3 PRO 31 2HG PRO 31 8.662 0.616 -6.815 246 HD2 PRO 31 1HD PRO 31 7.214 2.388 -5.168 247 HD3 PRO 31 2HD PRO 31 8.964 2.127 -5.117 248 H PHE 32 H PHE 32 6.004 3.609 -6.768 249 HA PHE 32 HA PHE 32 4.539 4.466 -9.131 250 HB2 PHE 32 1HB PHE 32 3.773 3.667 -6.323 251 HB3 PHE 32 2HB PHE 32 2.584 4.318 -7.444 252 HD1 PHE 32 HD2 PHE 32 2.144 3.144 -9.624 253 HD2 PHE 32 HD1 PHE 32 4.595 1.430 -6.540 254 HE1 PHE 32 HE2 PHE 32 1.920 0.913 -10.685 255 HE2 PHE 32 HE1 PHE 32 4.370 -0.800 -7.602 256 HZ PHE 32 HZ PHE 32 3.032 -1.059 -9.674 257 H TRP 33 H TRP 33 4.354 5.668 -5.772 258 HA TRP 33 HA TRP 33 3.822 8.391 -6.825 259 HB2 TRP 33 1HB TRP 33 3.484 8.772 -4.246 260 HB3 TRP 33 2HB TRP 33 2.262 7.887 -5.153 261 HD1 TRP 33 HD1 TRP 33 4.980 7.441 -2.549 262 HE1 TRP 33 HE1 TRP 33 4.795 5.072 -1.538 263 HE3 TRP 33 HE3 TRP 33 1.498 5.411 -5.681 264 HZ2 TRP 33 HZ2 TRP 33 3.369 2.650 -1.998 265 HZ3 TRP 33 HZ3 TRP 33 0.746 3.069 -5.375 266 HH2 TRP 33 HH2 TRP 33 1.674 1.686 -3.537 Start of MODEL 2 1 H1 ASN 1 1H ASN 1 -30.009 -3.846 5.930 2 H2 ASN 1 2H ASN 1 -29.118 -5.261 5.628 3 H3 ASN 1 3H ASN 1 -29.795 -4.388 4.337 4 HA ASN 1 HA ASN 1 -28.262 -2.683 4.481 5 HB2 ASN 1 1HB ASN 1 -26.658 -2.757 6.591 6 HB3 ASN 1 2HB ASN 1 -28.262 -2.033 6.728 7 HD21 ASN 1 2HD2 ASN 1 -26.602 -5.199 7.177 8 HD22 ASN 1 1HD2 ASN 1 -27.607 -5.714 8.443 9 H GLU 2 H GLU 2 -25.630 -2.986 5.068 10 HA GLU 2 HA GLU 2 -24.643 -5.659 4.694 11 HB2 GLU 2 1HB GLU 2 -25.664 -4.713 2.367 12 HB3 GLU 2 2HB GLU 2 -24.049 -4.019 2.257 13 HG2 GLU 2 1HG GLU 2 -23.872 -6.141 1.206 14 HG3 GLU 2 2HG GLU 2 -23.180 -6.379 2.810 15 H LEU 3 H LEU 3 -22.231 -5.464 4.034 16 HA LEU 3 HA LEU 3 -20.857 -3.857 5.920 17 HB2 LEU 3 1HB LEU 3 -19.695 -4.856 3.314 18 HB3 LEU 3 2HB LEU 3 -18.838 -4.529 4.820 19 HG LEU 3 HG LEU 3 -20.732 -6.800 4.193 20 HD11 LEU 3 1HD1 LEU 3 -18.829 -8.123 5.066 21 HD12 LEU 3 2HD1 LEU 3 -17.947 -6.625 5.370 22 HD13 LEU 3 3HD1 LEU 3 -18.339 -7.094 3.717 23 HD21 LEU 3 3HD2 LEU 3 -21.518 -6.062 6.339 24 HD22 LEU 3 1HD2 LEU 3 -19.878 -5.744 6.905 25 HD23 LEU 3 2HD2 LEU 3 -20.421 -7.404 6.664 26 H ASP 4 H ASP 4 -19.095 -2.229 5.214 27 HA ASP 4 HA ASP 4 -20.308 -0.008 3.892 28 HB2 ASP 4 1HB ASP 4 -17.502 -0.698 4.689 29 HB3 ASP 4 2HB ASP 4 -17.810 0.738 3.728 30 H VAL 5 H VAL 5 -18.840 0.883 1.857 31 HA VAL 5 HA VAL 5 -18.925 -1.363 -0.102 32 HB VAL 5 HB VAL 5 -19.700 1.513 -0.194 33 HG11 VAL 5 1HG1 VAL 5 -18.787 -0.112 -2.587 34 HG12 VAL 5 2HG1 VAL 5 -18.134 1.442 -2.057 35 HG13 VAL 5 3HG1 VAL 5 -19.773 1.344 -2.713 36 HG21 VAL 5 3HG2 VAL 5 -21.690 0.607 -1.156 37 HG22 VAL 5 1HG2 VAL 5 -21.244 -0.430 0.208 38 HG23 VAL 5 2HG2 VAL 5 -20.909 -0.949 -1.450 39 HA PRO 6 HA PRO 6 -14.894 0.619 -1.336 40 HB2 PRO 6 1HB PRO 6 -14.041 2.979 -0.496 41 HB3 PRO 6 2HB PRO 6 -15.474 2.908 -1.553 42 HG2 PRO 6 1HG PRO 6 -15.364 3.080 1.436 43 HG3 PRO 6 2HG PRO 6 -16.239 4.127 0.295 44 HD2 PRO 6 1HD PRO 6 -17.451 1.997 1.528 45 HD3 PRO 6 2HD PRO 6 -17.887 2.563 -0.090 46 H GLU 7 H GLU 7 -15.594 -0.555 1.373 47 HA GLU 7 HA GLU 7 -13.659 0.126 3.304 48 HB2 GLU 7 1HB GLU 7 -15.635 -1.858 3.035 49 HB3 GLU 7 2HB GLU 7 -14.151 -2.792 3.168 50 HG2 GLU 7 1HG GLU 7 -13.574 -1.476 5.223 51 HG3 GLU 7 2HG GLU 7 -15.146 -0.685 5.106 52 H GLN 8 H GLN 8 -13.354 -1.975 0.455 53 HA GLN 8 HA GLN 8 -10.824 -3.080 0.999 54 HB2 GLN 8 1HB GLN 8 -11.479 -1.985 -1.741 55 HB3 GLN 8 2HB GLN 8 -10.614 -3.465 -1.320 56 HG2 GLN 8 1HG GLN 8 -12.851 -4.213 -0.229 57 HG3 GLN 8 2HG GLN 8 -13.576 -2.912 -1.172 58 HE21 GLN 8 2HE2 GLN 8 -11.829 -6.001 -1.435 59 HE22 GLN 8 1HE2 GLN 8 -12.219 -6.278 -3.064 60 H VAL 9 H VAL 9 -11.653 0.099 -0.328 61 HA VAL 9 HA VAL 9 -9.174 1.218 -0.870 62 HB VAL 9 HB VAL 9 -11.413 2.537 0.682 63 HG11 VAL 9 1HG1 VAL 9 -9.611 3.988 0.849 64 HG12 VAL 9 2HG1 VAL 9 -10.458 4.575 -0.587 65 HG13 VAL 9 3HG1 VAL 9 -9.006 3.587 -0.763 66 HG21 VAL 9 3HG2 VAL 9 -12.358 1.640 -1.314 67 HG22 VAL 9 1HG2 VAL 9 -10.961 2.131 -2.276 68 HG23 VAL 9 2HG2 VAL 9 -12.064 3.351 -1.638 69 H ASP 10 H ASP 10 -10.814 1.803 2.198 70 HA ASP 10 HA ASP 10 -8.678 2.699 3.722 71 HB2 ASP 10 1HB ASP 10 -10.928 2.714 4.560 72 HB3 ASP 10 2HB ASP 10 -11.046 0.953 4.471 73 H LYS 11 H LYS 11 -9.418 -0.621 2.818 74 HA LYS 11 HA LYS 11 -7.322 -1.722 4.546 75 HB2 LYS 11 1HB LYS 11 -8.875 -2.977 2.266 76 HB3 LYS 11 2HB LYS 11 -7.790 -3.845 3.346 77 HG2 LYS 11 1HG LYS 11 -9.203 -3.172 5.267 78 HG3 LYS 11 2HG LYS 11 -10.310 -2.373 4.157 79 HD2 LYS 11 1HD LYS 11 -10.466 -4.649 2.951 80 HD3 LYS 11 2HD LYS 11 -9.710 -5.323 4.396 81 HE2 LYS 11 1HE LYS 11 -11.554 -4.133 5.724 82 HE3 LYS 11 2HE LYS 11 -12.360 -3.896 4.175 83 HZ1 LYS 11 3HZ LYS 11 -12.032 -6.384 3.872 84 HZ2 LYS 11 1HZ LYS 11 -13.217 -5.888 4.979 85 HZ3 LYS 11 2HZ LYS 11 -11.708 -6.433 5.539 86 H LEU 12 H LEU 12 -7.778 -0.911 1.124 87 HA LEU 12 HA LEU 12 -5.315 -1.885 0.141 88 HB2 LEU 12 1HB LEU 12 -7.024 0.419 -0.612 89 HB3 LEU 12 2HB LEU 12 -5.598 0.002 -1.502 90 HG LEU 12 HG LEU 12 -8.220 -1.039 -1.829 91 HD11 LEU 12 1HD1 LEU 12 -7.169 -2.239 -3.692 92 HD12 LEU 12 2HD1 LEU 12 -5.585 -1.942 -2.965 93 HD13 LEU 12 3HD1 LEU 12 -6.551 -0.589 -3.563 94 HD21 LEU 12 3HD2 LEU 12 -8.031 -3.407 -1.639 95 HD22 LEU 12 1HD2 LEU 12 -7.560 -2.777 -0.072 96 HD23 LEU 12 2HD2 LEU 12 -6.332 -3.318 -1.210 97 H ILE 13 H ILE 13 -6.156 1.371 1.272 98 HA ILE 13 HA ILE 13 -3.771 2.699 1.245 99 HB ILE 13 HB ILE 13 -6.068 2.516 3.145 100 HG12 ILE 13 1HG1 ILE 13 -6.206 4.920 2.602 101 HG13 ILE 13 2HG1 ILE 13 -4.760 4.777 1.615 102 HG21 ILE 13 1HG2 ILE 13 -3.444 3.840 3.819 103 HG22 ILE 13 2HG2 ILE 13 -4.422 2.754 4.812 104 HG23 ILE 13 3HG2 ILE 13 -4.978 4.402 4.502 105 HD11 ILE 13 3HD1 ILE 13 -6.745 4.661 0.202 106 HD12 ILE 13 1HD1 ILE 13 -7.396 3.359 1.190 107 HD13 ILE 13 2HD1 ILE 13 -5.950 3.090 0.218 108 H GLN 14 H GLN 14 -4.751 0.392 3.813 109 HA GLN 14 HA GLN 14 -2.359 0.449 5.293 110 HB2 GLN 14 1HB GLN 14 -4.160 -1.931 4.765 111 HB3 GLN 14 2HB GLN 14 -2.993 -1.795 6.055 112 HG2 GLN 14 1HG GLN 14 -4.205 0.235 6.880 113 HG3 GLN 14 2HG GLN 14 -5.446 -0.092 5.674 114 HE21 GLN 14 2HE2 GLN 14 -7.198 -0.964 6.807 115 HE22 GLN 14 1HE2 GLN 14 -7.083 -2.221 7.942 116 H GLN 15 H GLN 15 -3.273 -1.582 2.493 117 HA GLN 15 HA GLN 15 -0.824 -3.012 2.307 118 HB2 GLN 15 1HB GLN 15 -2.466 -2.049 -0.054 119 HB3 GLN 15 2HB GLN 15 -1.384 -3.437 -0.009 120 HG2 GLN 15 1HG GLN 15 -2.856 -4.474 1.721 121 HG3 GLN 15 2HG GLN 15 -3.973 -3.127 1.529 122 HE21 GLN 15 2HE2 GLN 15 -3.640 -2.855 -1.367 123 HE22 GLN 15 1HE2 GLN 15 -4.371 -4.211 -2.080 124 H ALA 16 H ALA 16 -1.834 -0.008 0.678 125 HA ALA 16 HA ALA 16 0.510 0.651 -0.678 126 HB1 ALA 16 3HB ALA 16 -0.160 2.978 -0.499 127 HB2 ALA 16 1HB ALA 16 -1.143 2.634 0.925 128 HB3 ALA 16 2HB ALA 16 -1.621 2.002 -0.651 129 H THR 17 H THR 17 -0.232 1.490 2.752 130 HA THR 17 HA THR 17 2.269 2.669 3.325 131 HB THR 17 HB THR 17 0.108 1.319 4.904 132 HG1 THR 17 HG1 THR 17 0.887 3.556 5.964 133 HG21 THR 17 3HG2 THR 17 2.882 1.907 5.929 134 HG22 THR 17 1HG2 THR 17 1.950 0.421 6.087 135 HG23 THR 17 2HG2 THR 17 1.478 1.856 6.995 136 H SER 18 H SER 18 1.247 -0.737 3.298 137 HA SER 18 HA SER 18 3.709 -1.795 4.329 138 HB2 SER 18 1HB SER 18 2.773 -3.872 3.895 139 HB3 SER 18 2HB SER 18 1.313 -2.892 3.882 140 HG SER 18 HG SER 18 1.354 -2.876 1.680 141 H ILE 19 H ILE 19 2.497 -1.329 0.984 142 HA ILE 19 HA ILE 19 4.639 -2.355 -0.453 143 HB ILE 19 HB ILE 19 2.660 -0.134 -0.847 144 HG12 ILE 19 1HG1 ILE 19 2.225 -1.577 -2.946 145 HG13 ILE 19 2HG1 ILE 19 3.280 -2.753 -2.196 146 HG21 ILE 19 1HG2 ILE 19 3.595 0.154 -3.195 147 HG22 ILE 19 2HG2 ILE 19 5.064 -0.612 -2.585 148 HG23 ILE 19 3HG2 ILE 19 4.504 0.906 -1.885 149 HD11 ILE 19 3HD1 ILE 19 1.832 -2.747 -0.185 150 HD12 ILE 19 1HD1 ILE 19 0.974 -3.266 -1.633 151 HD13 ILE 19 2HD1 ILE 19 0.743 -1.636 -1.012 152 H GLU 20 H GLU 20 4.435 0.617 1.423 153 HA GLU 20 HA GLU 20 6.731 1.944 0.397 154 HB2 GLU 20 1HB GLU 20 4.914 2.718 2.119 155 HB3 GLU 20 2HB GLU 20 5.987 2.014 3.324 156 HG2 GLU 20 1HG GLU 20 6.825 4.101 1.287 157 HG3 GLU 20 2HG GLU 20 6.408 4.441 2.966 158 H ARG 21 H ARG 21 6.416 -0.330 3.130 159 HA ARG 21 HA ARG 21 9.203 -0.387 3.775 160 HB2 ARG 21 1HB ARG 21 6.996 -2.423 4.225 161 HB3 ARG 21 2HB ARG 21 8.613 -2.566 4.895 162 HG2 ARG 21 1HG ARG 21 7.707 -1.452 6.692 163 HG3 ARG 21 2HG ARG 21 7.992 -0.020 5.711 164 HD2 ARG 21 1HD ARG 21 5.737 0.194 6.343 165 HD3 ARG 21 2HD ARG 21 5.629 -0.504 4.729 166 HE ARG 21 HE ARG 21 4.777 -2.485 5.695 167 HH11 ARG 21 1HH2 ARG 21 6.245 -0.407 8.021 168 HH12 ARG 21 2HH2 ARG 21 5.710 -1.334 9.384 169 HH21 ARG 21 1HH1 ARG 21 4.071 -3.708 7.459 170 HH22 ARG 21 2HH1 ARG 21 4.479 -3.202 9.066 171 H LEU 22 H LEU 22 7.226 -2.216 1.489 172 HA LEU 22 HA LEU 22 9.288 -4.141 0.826 173 HB2 LEU 22 1HB LEU 22 6.973 -3.268 -0.912 174 HB3 LEU 22 2HB LEU 22 7.842 -4.786 -0.971 175 HG LEU 22 HG LEU 22 5.974 -3.832 1.147 176 HD11 LEU 22 1HD1 LEU 22 4.985 -4.964 -0.777 177 HD12 LEU 22 2HD1 LEU 22 4.870 -5.993 0.652 178 HD13 LEU 22 3HD1 LEU 22 6.106 -6.308 -0.566 179 HD21 LEU 22 3HD2 LEU 22 8.016 -6.050 1.262 180 HD22 LEU 22 1HD2 LEU 22 6.568 -6.076 2.269 181 HD23 LEU 22 2HD2 LEU 22 7.740 -4.771 2.445 182 H CYS 23 H CYS 23 7.963 -1.393 -1.036 183 HA CYS 23 HA CYS 23 9.730 -1.327 -3.161 184 HB2 CYS 23 1HB CYS 23 8.495 0.918 -1.568 185 HB3 CYS 23 2HB CYS 23 9.484 1.232 -2.991 186 HG CYS 23 HG CYS 23 6.643 0.151 -3.029 187 H GLN 24 H GLN 24 10.353 -0.046 0.113 188 HA GLN 24 HA GLN 24 12.819 1.197 -0.330 189 HB2 GLN 24 1HB GLN 24 11.711 -0.380 1.997 190 HB3 GLN 24 2HB GLN 24 13.314 0.338 2.067 191 HG2 GLN 24 1HG GLN 24 12.426 2.553 1.721 192 HG3 GLN 24 2HG GLN 24 10.821 1.906 1.378 193 HE21 GLN 24 2HE2 GLN 24 10.755 3.696 3.390 194 HE22 GLN 24 1HE2 GLN 24 10.676 2.950 4.912 195 H HIS 25 H HIS 25 12.016 -2.209 -0.273 196 HA HIS 25 HA HIS 25 14.885 -2.985 -0.393 197 HB2 HIS 25 1HB HIS 25 12.930 -4.188 0.938 198 HB3 HIS 25 2HB HIS 25 12.590 -4.935 -0.613 199 HD1 HIS 25 HD1 HIS 25 14.518 -6.409 -1.678 200 HD2 HIS 25 HD2 HIS 25 15.242 -5.159 2.236 201 HE1 HIS 25 HE1 HIS 25 16.438 -7.822 -0.816 202 HE2 HIS 25 HE2 HIS 25 16.886 -7.069 1.565 203 H TYR 26 H TYR 26 11.947 -3.927 -2.144 204 HA TYR 26 HA TYR 26 13.034 -5.025 -4.419 205 HB2 TYR 26 1HB TYR 26 10.576 -3.310 -4.070 206 HB3 TYR 26 2HB TYR 26 10.971 -4.057 -5.614 207 HD1 TYR 26 HD1 TYR 26 10.984 -6.501 -5.876 208 HD2 TYR 26 HD2 TYR 26 9.901 -4.660 -2.150 209 HE1 TYR 26 HE1 TYR 26 10.033 -8.652 -5.089 210 HE2 TYR 26 HE2 TYR 26 8.951 -6.810 -1.362 211 HH TYR 26 HH TYR 26 9.403 -9.348 -1.968 212 H ILE 27 H ILE 27 11.917 -1.592 -4.556 213 HA ILE 27 HA ILE 27 14.014 -1.129 -6.616 214 HB ILE 27 HB ILE 27 11.593 -0.608 -7.091 215 HG12 ILE 27 1HG1 ILE 27 13.417 1.793 -7.123 216 HG13 ILE 27 2HG1 ILE 27 13.535 0.459 -8.257 217 HG21 ILE 27 1HG2 ILE 27 12.009 1.718 -5.265 218 HG22 ILE 27 2HG2 ILE 27 11.208 0.249 -4.738 219 HG23 ILE 27 3HG2 ILE 27 10.527 1.208 -6.050 220 HD11 ILE 27 3HD1 ILE 27 12.208 2.170 -9.310 221 HD12 ILE 27 1HD1 ILE 27 11.186 2.321 -7.881 222 HD13 ILE 27 2HD1 ILE 27 11.123 0.856 -8.860 223 H GLY 28 H GLY 28 12.735 0.310 -3.605 224 HA2 GLY 28 1HA GLY 28 14.587 1.029 -1.999 225 HA3 GLY 28 2HA GLY 28 15.286 1.885 -3.371 226 H TRP 29 H TRP 29 12.987 2.926 -4.511 227 HA TRP 29 HA TRP 29 11.975 4.817 -2.401 228 HB2 TRP 29 1HB TRP 29 11.942 6.552 -4.112 229 HB3 TRP 29 2HB TRP 29 13.550 5.828 -4.089 230 HD1 TRP 29 HD1 TRP 29 13.800 3.674 -5.895 231 HE1 TRP 29 HE1 TRP 29 12.974 3.571 -8.337 232 HE3 TRP 29 HE3 TRP 29 10.394 7.470 -5.839 233 HZ2 TRP 29 HZ2 TRP 29 11.151 4.931 -10.043 234 HZ3 TRP 29 HZ3 TRP 29 9.132 8.055 -7.892 235 HH2 TRP 29 HH2 TRP 29 9.504 6.788 -9.993 236 H CYS 30 H CYS 30 9.847 5.947 -3.540 237 HA CYS 30 HA CYS 30 7.974 3.734 -3.846 238 HB2 CYS 30 1HB CYS 30 6.362 5.736 -4.239 239 HB3 CYS 30 2HB CYS 30 7.100 5.560 -2.650 240 HG CYS 30 HG CYS 30 7.350 8.050 -3.831 241 HA PRO 31 HA PRO 31 8.682 4.039 -8.339 242 HB2 PRO 31 1HB PRO 31 7.355 1.755 -9.094 243 HB3 PRO 31 2HB PRO 31 9.012 1.772 -8.478 244 HG2 PRO 31 1HG PRO 31 6.517 0.952 -7.122 245 HG3 PRO 31 2HG PRO 31 8.182 0.406 -6.863 246 HD2 PRO 31 1HD PRO 31 6.779 2.242 -5.235 247 HD3 PRO 31 2HD PRO 31 8.524 1.952 -5.209 248 H PHE 32 H PHE 32 5.520 3.346 -6.899 249 HA PHE 32 HA PHE 32 4.031 4.206 -9.231 250 HB2 PHE 32 1HB PHE 32 3.325 3.505 -6.383 251 HB3 PHE 32 2HB PHE 32 2.120 4.209 -7.456 252 HD1 PHE 32 HD2 PHE 32 1.475 3.036 -9.565 253 HD2 PHE 32 HD1 PHE 32 4.059 1.232 -6.648 254 HE1 PHE 32 HE2 PHE 32 1.083 0.814 -10.594 255 HE2 PHE 32 HE1 PHE 32 3.668 -0.991 -7.677 256 HZ PHE 32 HZ PHE 32 2.179 -1.200 -9.649 257 H TRP 33 H TRP 33 4.067 5.552 -5.919 258 HA TRP 33 HA TRP 33 3.565 8.249 -7.067 259 HB2 TRP 33 1HB TRP 33 3.318 8.727 -4.482 260 HB3 TRP 33 2HB TRP 33 2.027 7.894 -5.344 261 HD1 TRP 33 HD1 TRP 33 4.789 7.336 -2.802 262 HE1 TRP 33 HE1 TRP 33 4.487 5.007 -1.732 263 HE3 TRP 33 HE3 TRP 33 1.086 5.470 -5.777 264 HZ2 TRP 33 HZ2 TRP 33 2.895 2.672 -2.091 265 HZ3 TRP 33 HZ3 TRP 33 0.197 3.189 -5.395 266 HH2 TRP 33 HH2 TRP 33 1.095 1.787 -3.555 Start of MODEL 3 1 H1 ASN 1 1H ASN 1 -25.882 5.148 4.076 2 H2 ASN 1 2H ASN 1 -24.314 4.605 4.438 3 H3 ASN 1 3H ASN 1 -25.598 4.272 5.499 4 HA ASN 1 HA ASN 1 -26.665 2.962 3.687 5 HB2 ASN 1 1HB ASN 1 -25.011 2.204 1.916 6 HB3 ASN 1 2HB ASN 1 -25.537 3.881 1.771 7 HD21 ASN 1 2HD2 ASN 1 -23.923 5.491 1.856 8 HD22 ASN 1 1HD2 ASN 1 -22.296 5.186 2.225 9 H GLU 2 H GLU 2 -25.335 0.675 3.053 10 HA GLU 2 HA GLU 2 -24.706 -0.411 5.680 11 HB2 GLU 2 1HB GLU 2 -24.228 -2.521 4.318 12 HB3 GLU 2 2HB GLU 2 -25.868 -1.888 4.208 13 HG2 GLU 2 1HG GLU 2 -23.794 -0.993 2.207 14 HG3 GLU 2 2HG GLU 2 -24.581 -2.556 2.005 15 H LEU 3 H LEU 3 -22.673 -1.988 3.572 16 HA LEU 3 HA LEU 3 -20.294 -1.158 4.914 17 HB2 LEU 3 1HB LEU 3 -20.454 -2.366 2.148 18 HB3 LEU 3 2HB LEU 3 -19.095 -2.433 3.269 19 HG LEU 3 HG LEU 3 -21.763 -3.843 3.480 20 HD11 LEU 3 1HD1 LEU 3 -20.263 -5.803 3.754 21 HD12 LEU 3 2HD1 LEU 3 -18.870 -4.732 3.592 22 HD13 LEU 3 3HD1 LEU 3 -19.972 -4.956 2.235 23 HD21 LEU 3 3HD2 LEU 3 -21.453 -3.020 5.706 24 HD22 LEU 3 1HD2 LEU 3 -19.712 -3.295 5.643 25 HD23 LEU 3 2HD2 LEU 3 -20.820 -4.664 5.730 26 H ASP 4 H ASP 4 -18.538 0.125 4.118 27 HA ASP 4 HA ASP 4 -19.308 2.452 2.621 28 HB2 ASP 4 1HB ASP 4 -16.683 1.324 3.534 29 HB3 ASP 4 2HB ASP 4 -16.739 2.748 2.510 30 H VAL 5 H VAL 5 -17.753 2.924 0.587 31 HA VAL 5 HA VAL 5 -18.225 0.618 -1.229 32 HB VAL 5 HB VAL 5 -18.227 3.584 -1.506 33 HG11 VAL 5 1HG1 VAL 5 -17.596 1.656 -3.761 34 HG12 VAL 5 2HG1 VAL 5 -16.605 3.022 -3.236 35 HG13 VAL 5 3HG1 VAL 5 -18.167 3.305 -4.015 36 HG21 VAL 5 3HG2 VAL 5 -20.239 2.123 -1.159 37 HG22 VAL 5 1HG2 VAL 5 -19.935 1.437 -2.761 38 HG23 VAL 5 2HG2 VAL 5 -20.309 3.155 -2.598 39 HA PRO 6 HA PRO 6 -13.722 1.456 -2.213 40 HB2 PRO 6 1HB PRO 6 -12.377 3.565 -1.351 41 HB3 PRO 6 2HB PRO 6 -13.680 3.799 -2.541 42 HG2 PRO 6 1HG PRO 6 -13.788 4.111 0.438 43 HG3 PRO 6 2HG PRO 6 -14.282 5.266 -0.821 44 HD2 PRO 6 1HD PRO 6 -16.065 3.559 0.380 45 HD3 PRO 6 2HD PRO 6 -16.226 4.134 -1.285 46 H GLU 7 H GLU 7 -14.927 0.618 0.438 47 HA GLU 7 HA GLU 7 -13.151 0.856 2.565 48 HB2 GLU 7 1HB GLU 7 -15.453 -0.555 2.140 49 HB3 GLU 7 2HB GLU 7 -14.297 -1.883 2.143 50 HG2 GLU 7 1HG GLU 7 -13.386 -0.879 4.315 51 HG3 GLU 7 2HG GLU 7 -14.826 0.139 4.322 52 H GLN 8 H GLN 8 -12.882 -1.305 -0.241 53 HA GLN 8 HA GLN 8 -10.751 -2.925 0.601 54 HB2 GLN 8 1HB GLN 8 -10.732 -1.669 -2.149 55 HB3 GLN 8 2HB GLN 8 -10.300 -3.317 -1.683 56 HG2 GLN 8 1HG GLN 8 -12.779 -3.556 -0.967 57 HG3 GLN 8 2HG GLN 8 -13.051 -2.092 -1.913 58 HE21 GLN 8 2HE2 GLN 8 -11.963 -5.475 -2.145 59 HE22 GLN 8 1HE2 GLN 8 -12.189 -5.608 -3.823 60 H VAL 9 H VAL 9 -10.676 0.367 -0.677 61 HA VAL 9 HA VAL 9 -7.956 0.924 -0.797 62 HB VAL 9 HB VAL 9 -10.142 2.671 0.361 63 HG11 VAL 9 1HG1 VAL 9 -8.567 4.481 -0.626 64 HG12 VAL 9 2HG1 VAL 9 -7.331 3.224 -0.535 65 HG13 VAL 9 3HG1 VAL 9 -8.167 3.752 0.932 66 HG21 VAL 9 3HG2 VAL 9 -10.805 1.957 -1.818 67 HG22 VAL 9 1HG2 VAL 9 -9.183 2.206 -2.464 68 HG23 VAL 9 2HG2 VAL 9 -10.166 3.594 -1.998 69 H ASP 10 H ASP 10 -9.931 1.882 1.968 70 HA ASP 10 HA ASP 10 -7.947 2.327 3.847 71 HB2 ASP 10 1HB ASP 10 -10.269 2.798 4.302 72 HB3 ASP 10 2HB ASP 10 -10.693 1.087 4.195 73 H LYS 11 H LYS 11 -9.254 -0.779 2.807 74 HA LYS 11 HA LYS 11 -7.743 -2.289 4.800 75 HB2 LYS 11 1HB LYS 11 -9.057 -3.198 2.221 76 HB3 LYS 11 2HB LYS 11 -8.399 -4.265 3.457 77 HG2 LYS 11 1HG LYS 11 -10.008 -3.370 5.088 78 HG3 LYS 11 2HG LYS 11 -10.665 -2.295 3.858 79 HD2 LYS 11 1HD LYS 11 -11.088 -4.406 2.458 80 HD3 LYS 11 2HD LYS 11 -10.772 -5.314 3.939 81 HE2 LYS 11 1HE LYS 11 -12.533 -3.841 5.057 82 HE3 LYS 11 2HE LYS 11 -12.962 -3.296 3.437 83 HZ1 LYS 11 3HZ LYS 11 -13.708 -5.669 4.734 84 HZ2 LYS 11 1HZ LYS 11 -12.780 -6.072 3.373 85 HZ3 LYS 11 2HZ LYS 11 -14.171 -5.111 3.197 86 H LEU 12 H LEU 12 -7.406 -1.418 1.385 87 HA LEU 12 HA LEU 12 -5.045 -2.873 0.823 88 HB2 LEU 12 1HB LEU 12 -6.069 -0.267 -0.177 89 HB3 LEU 12 2HB LEU 12 -4.656 -1.029 -0.822 90 HG LEU 12 HG LEU 12 -7.401 -1.472 -1.523 91 HD11 LEU 12 1HD1 LEU 12 -6.354 -2.850 -3.295 92 HD12 LEU 12 2HD1 LEU 12 -4.827 -2.748 -2.409 93 HD13 LEU 12 3HD1 LEU 12 -5.558 -1.288 -3.080 94 HD21 LEU 12 3HD2 LEU 12 -6.030 -4.066 -0.786 95 HD22 LEU 12 1HD2 LEU 12 -7.641 -3.856 -1.452 96 HD23 LEU 12 2HD2 LEU 12 -7.308 -3.351 0.193 97 H ILE 13 H ILE 13 -5.412 0.524 1.807 98 HA ILE 13 HA ILE 13 -2.864 1.359 2.235 99 HB ILE 13 HB ILE 13 -5.437 1.664 3.717 100 HG12 ILE 13 1HG1 ILE 13 -5.028 4.031 3.168 101 HG13 ILE 13 2HG1 ILE 13 -3.477 3.603 2.461 102 HG21 ILE 13 1HG2 ILE 13 -4.069 1.630 5.637 103 HG22 ILE 13 2HG2 ILE 13 -4.229 3.345 5.246 104 HG23 ILE 13 3HG2 ILE 13 -2.749 2.471 4.817 105 HD11 ILE 13 3HD1 ILE 13 -4.677 2.141 0.841 106 HD12 ILE 13 1HD1 ILE 13 -5.169 3.827 0.711 107 HD13 ILE 13 2HD1 ILE 13 -6.203 2.675 1.541 108 H GLN 14 H GLN 14 -4.683 -0.678 4.548 109 HA GLN 14 HA GLN 14 -2.616 -1.024 6.433 110 HB2 GLN 14 1HB GLN 14 -4.781 -2.982 5.619 111 HB3 GLN 14 2HB GLN 14 -3.828 -3.067 7.082 112 HG2 GLN 14 1HG GLN 14 -4.665 -0.715 7.613 113 HG3 GLN 14 2HG GLN 14 -5.829 -0.967 6.317 114 HE21 GLN 14 2HE2 GLN 14 -7.797 -1.490 7.256 115 HE22 GLN 14 1HE2 GLN 14 -8.003 -2.595 8.528 116 H GLN 15 H GLN 15 -3.440 -3.002 3.560 117 HA GLN 15 HA GLN 15 -1.108 -4.690 3.977 118 HB2 GLN 15 1HB GLN 15 -1.975 -6.025 2.312 119 HB3 GLN 15 2HB GLN 15 -3.437 -5.109 2.653 120 HG2 GLN 15 1HG GLN 15 -2.739 -3.501 0.823 121 HG3 GLN 15 2HG GLN 15 -1.447 -4.623 0.415 122 HE21 GLN 15 2HE2 GLN 15 -3.496 -4.054 -1.468 123 HE22 GLN 15 1HE2 GLN 15 -4.449 -5.444 -1.673 124 H ALA 16 H ALA 16 -1.748 -1.667 2.462 125 HA ALA 16 HA ALA 16 0.464 -1.722 0.577 126 HB1 ALA 16 3HB ALA 16 -0.681 0.813 1.753 127 HB2 ALA 16 1HB ALA 16 -1.645 -0.165 0.645 128 HB3 ALA 16 2HB ALA 16 -0.104 0.509 0.113 129 H THR 17 H THR 17 0.024 -0.525 3.909 130 HA THR 17 HA THR 17 2.391 0.877 4.280 131 HB THR 17 HB THR 17 0.592 -0.769 6.005 132 HG1 THR 17 HG1 THR 17 0.048 1.156 6.620 133 HG21 THR 17 3HG2 THR 17 3.359 0.117 6.814 134 HG22 THR 17 1HG2 THR 17 2.632 -1.480 6.978 135 HG23 THR 17 2HG2 THR 17 2.069 -0.148 7.986 136 H SER 18 H SER 18 1.915 -2.623 4.072 137 HA SER 18 HA SER 18 4.637 -3.237 4.876 138 HB2 SER 18 1HB SER 18 3.953 -5.499 3.724 139 HB3 SER 18 2HB SER 18 3.205 -5.027 5.244 140 HG SER 18 HG SER 18 1.742 -5.705 3.524 141 H ILE 19 H ILE 19 2.899 -3.020 1.760 142 HA ILE 19 HA ILE 19 5.039 -3.723 0.065 143 HB ILE 19 HB ILE 19 2.560 -2.043 -0.159 144 HG12 ILE 19 1HG1 ILE 19 2.248 -3.751 -2.119 145 HG13 ILE 19 2HG1 ILE 19 3.560 -4.616 -1.347 146 HG21 ILE 19 1HG2 ILE 19 3.941 -0.724 -1.513 147 HG22 ILE 19 2HG2 ILE 19 3.107 -1.792 -2.638 148 HG23 ILE 19 3HG2 ILE 19 4.779 -2.126 -2.178 149 HD11 ILE 19 3HD1 ILE 19 0.895 -3.906 -0.143 150 HD12 ILE 19 1HD1 ILE 19 2.245 -4.538 0.800 151 HD13 ILE 19 2HD1 ILE 19 1.525 -5.518 -0.475 152 H GLU 20 H GLU 20 4.218 -0.731 1.729 153 HA GLU 20 HA GLU 20 5.919 1.089 0.428 154 HB2 GLU 20 1HB GLU 20 4.257 1.407 2.428 155 HB3 GLU 20 2HB GLU 20 5.658 1.069 3.438 156 HG2 GLU 20 1HG GLU 20 6.893 2.912 2.371 157 HG3 GLU 20 2HG GLU 20 5.512 3.242 1.324 158 H ARG 21 H ARG 21 6.662 -1.160 3.074 159 HA ARG 21 HA ARG 21 9.396 -0.378 3.353 160 HB2 ARG 21 1HB ARG 21 8.649 -3.240 3.866 161 HB3 ARG 21 2HB ARG 21 9.617 -2.144 4.839 162 HG2 ARG 21 1HG ARG 21 6.606 -2.111 4.567 163 HG3 ARG 21 2HG ARG 21 7.520 -2.625 5.970 164 HD2 ARG 21 1HD ARG 21 7.536 0.178 4.819 165 HD3 ARG 21 2HD ARG 21 6.648 -0.339 6.249 166 HE ARG 21 HE ARG 21 9.534 0.142 6.098 167 HH11 ARG 21 1HH2 ARG 21 6.904 -1.437 7.668 168 HH12 ARG 21 2HH2 ARG 21 7.732 -1.606 9.180 169 HH21 ARG 21 1HH1 ARG 21 10.634 -0.069 8.063 170 HH22 ARG 21 2HH1 ARG 21 9.845 -0.832 9.404 171 H LEU 22 H LEU 22 7.901 -3.042 1.508 172 HA LEU 22 HA LEU 22 10.312 -4.063 0.392 173 HB2 LEU 22 1HB LEU 22 7.626 -4.079 -0.978 174 HB3 LEU 22 2HB LEU 22 8.917 -5.254 -1.117 175 HG LEU 22 HG LEU 22 7.138 -4.768 1.224 176 HD11 LEU 22 1HD1 LEU 22 7.823 -7.206 -0.407 177 HD12 LEU 22 2HD1 LEU 22 6.317 -6.292 -0.498 178 HD13 LEU 22 3HD1 LEU 22 6.717 -7.192 0.966 179 HD21 LEU 22 3HD2 LEU 22 9.271 -5.003 2.263 180 HD22 LEU 22 1HD2 LEU 22 9.776 -6.227 1.097 181 HD23 LEU 22 2HD2 LEU 22 8.562 -6.616 2.316 182 H CYS 23 H CYS 23 7.863 -2.243 -1.469 183 HA CYS 23 HA CYS 23 9.423 -1.651 -3.678 184 HB2 CYS 23 1HB CYS 23 7.780 -0.138 -4.267 185 HB3 CYS 23 2HB CYS 23 6.929 -1.016 -3.007 186 HG CYS 23 HG CYS 23 6.793 1.631 -2.607 187 H GLN 24 H GLN 24 9.273 0.327 -0.682 188 HA GLN 24 HA GLN 24 11.052 2.361 -1.417 189 HB2 GLN 24 1HB GLN 24 10.596 0.928 1.203 190 HB3 GLN 24 2HB GLN 24 11.710 2.277 1.068 191 HG2 GLN 24 1HG GLN 24 8.890 2.543 0.039 192 HG3 GLN 24 2HG GLN 24 9.239 2.765 1.753 193 HE21 GLN 24 2HE2 GLN 24 8.871 5.060 1.771 194 HE22 GLN 24 1HE2 GLN 24 9.873 6.151 0.940 195 H HIS 25 H HIS 25 11.621 -0.999 -0.811 196 HA HIS 25 HA HIS 25 14.564 -0.648 -0.681 197 HB2 HIS 25 1HB HIS 25 12.961 -2.322 0.673 198 HB3 HIS 25 2HB HIS 25 13.217 -3.339 -0.731 199 HD1 HIS 25 HD1 HIS 25 15.058 -4.944 -0.253 200 HD2 HIS 25 HD2 HIS 25 15.839 -1.196 1.405 201 HE1 HIS 25 HE1 HIS 25 17.340 -5.103 0.840 202 HE2 HIS 25 HE2 HIS 25 17.822 -2.827 1.851 203 H TYR 26 H TYR 26 12.283 -2.712 -2.473 204 HA TYR 26 HA TYR 26 14.026 -3.579 -4.487 205 HB2 TYR 26 1HB TYR 26 11.045 -3.125 -4.458 206 HB3 TYR 26 2HB TYR 26 11.858 -3.752 -5.887 207 HD1 TYR 26 HD1 TYR 26 13.261 -5.857 -5.684 208 HD2 TYR 26 HD2 TYR 26 10.602 -4.528 -2.582 209 HE1 TYR 26 HE1 TYR 26 13.304 -8.122 -4.676 210 HE2 TYR 26 HE2 TYR 26 10.645 -6.794 -1.576 211 HH TYR 26 HH TYR 26 12.696 -8.882 -1.839 212 H ILE 27 H ILE 27 11.555 -1.022 -5.177 213 HA ILE 27 HA ILE 27 13.198 -0.137 -7.410 214 HB ILE 27 HB ILE 27 10.729 -0.029 -7.529 215 HG12 ILE 27 1HG1 ILE 27 12.054 2.677 -7.655 216 HG13 ILE 27 2HG1 ILE 27 12.195 1.442 -8.892 217 HG21 ILE 27 1HG2 ILE 27 10.210 0.539 -5.245 218 HG22 ILE 27 2HG2 ILE 27 9.578 1.787 -6.313 219 HG23 ILE 27 3HG2 ILE 27 11.046 2.076 -5.399 220 HD11 ILE 27 3HD1 ILE 27 10.457 2.962 -9.586 221 HD12 ILE 27 1HD1 ILE 27 9.667 2.849 -8.014 222 HD13 ILE 27 2HD1 ILE 27 9.691 1.454 -9.093 223 H GLY 28 H GLY 28 12.594 0.957 -4.123 224 HA2 GLY 28 1HA GLY 28 14.529 2.135 -3.039 225 HA3 GLY 28 2HA GLY 28 14.676 3.089 -4.511 226 H TRP 29 H TRP 29 11.907 3.554 -4.949 227 HA TRP 29 HA TRP 29 11.149 5.233 -2.575 228 HB2 TRP 29 1HB TRP 29 10.381 6.948 -4.160 229 HB3 TRP 29 2HB TRP 29 12.085 6.591 -4.432 230 HD1 TRP 29 HD1 TRP 29 12.451 4.523 -6.341 231 HE1 TRP 29 HE1 TRP 29 11.306 4.325 -8.641 232 HE3 TRP 29 HE3 TRP 29 8.452 7.612 -5.614 233 HZ2 TRP 29 HZ2 TRP 29 9.032 5.352 -10.001 234 HZ3 TRP 29 HZ3 TRP 29 6.816 7.992 -7.440 235 HH2 TRP 29 HH2 TRP 29 7.099 6.864 -9.631 236 H CYS 30 H CYS 30 8.690 6.116 -3.635 237 HA CYS 30 HA CYS 30 7.115 3.623 -3.428 238 HB2 CYS 30 1HB CYS 30 5.207 5.425 -3.444 239 HB3 CYS 30 2HB CYS 30 6.230 5.260 -2.019 240 HG CYS 30 HG CYS 30 6.962 7.398 -4.173 241 HA PRO 31 HA PRO 31 6.885 4.071 -7.969 242 HB2 PRO 31 1HB PRO 31 5.832 1.575 -8.511 243 HB3 PRO 31 2HB PRO 31 7.556 1.910 -8.305 244 HG2 PRO 31 1HG PRO 31 5.675 0.596 -6.456 245 HG3 PRO 31 2HG PRO 31 7.434 0.440 -6.582 246 HD2 PRO 31 1HD PRO 31 6.031 1.940 -4.630 247 HD3 PRO 31 2HD PRO 31 7.767 2.020 -4.957 248 H PHE 32 H PHE 32 4.248 2.737 -6.006 249 HA PHE 32 HA PHE 32 2.192 3.379 -7.936 250 HB2 PHE 32 1HB PHE 32 2.166 2.554 -5.029 251 HB3 PHE 32 2HB PHE 32 0.688 2.914 -5.915 252 HD1 PHE 32 HD1 PHE 32 0.107 1.580 -7.970 253 HD2 PHE 32 HD2 PHE 32 3.348 0.502 -5.363 254 HE1 PHE 32 HE1 PHE 32 0.141 -0.697 -8.952 255 HE2 PHE 32 HE2 PHE 32 3.380 -1.774 -6.347 256 HZ PHE 32 HZ PHE 32 1.777 -2.372 -8.140 257 H TRP 33 H TRP 33 2.666 4.600 -4.613 258 HA TRP 33 HA TRP 33 1.485 7.204 -5.452 259 HB2 TRP 33 1HB TRP 33 1.588 7.498 -2.831 260 HB3 TRP 33 2HB TRP 33 0.340 6.481 -3.546 261 HD1 TRP 33 HD1 TRP 33 3.560 6.323 -1.535 262 HE1 TRP 33 HE1 TRP 33 3.844 3.935 -0.598 263 HE3 TRP 33 HE3 TRP 33 -0.246 3.951 -3.978 264 HZ2 TRP 33 HZ2 TRP 33 2.629 1.372 -0.851 265 HZ3 TRP 33 HZ3 TRP 33 -0.660 1.534 -3.611 266 HH2 TRP 33 HH2 TRP 33 0.771 0.241 -2.053 Start of MODEL 4 1 H1 ASN 1 1H ASN 1 -27.271 -2.805 -0.030 2 H2 ASN 1 2H ASN 1 -27.626 -1.821 1.307 3 H3 ASN 1 3H ASN 1 -27.112 -3.423 1.542 4 HA ASN 1 HA ASN 1 -24.990 -2.740 0.342 5 HB2 ASN 1 1HB ASN 1 -25.914 -0.596 -0.496 6 HB3 ASN 1 2HB ASN 1 -26.091 -0.035 1.166 7 HD21 ASN 1 2HD2 ASN 1 -24.508 1.682 0.054 8 HD22 ASN 1 1HD2 ASN 1 -22.853 1.360 0.246 9 H GLU 2 H GLU 2 -25.617 -4.103 2.588 10 HA GLU 2 HA GLU 2 -25.265 -2.854 5.092 11 HB2 GLU 2 1HB GLU 2 -25.905 -5.218 4.867 12 HB3 GLU 2 2HB GLU 2 -24.314 -5.596 4.208 13 HG2 GLU 2 1HG GLU 2 -23.240 -4.975 6.298 14 HG3 GLU 2 2HG GLU 2 -24.772 -4.404 6.959 15 H LEU 3 H LEU 3 -22.739 -4.459 3.146 16 HA LEU 3 HA LEU 3 -20.545 -3.583 4.727 17 HB2 LEU 3 1HB LEU 3 -20.477 -4.046 1.742 18 HB3 LEU 3 2HB LEU 3 -19.145 -4.202 2.885 19 HG LEU 3 HG LEU 3 -21.535 -6.016 2.520 20 HD11 LEU 3 1HD1 LEU 3 -18.549 -6.464 2.757 21 HD12 LEU 3 2HD1 LEU 3 -19.478 -6.479 1.258 22 HD13 LEU 3 3HD1 LEU 3 -19.749 -7.726 2.475 23 HD21 LEU 3 3HD2 LEU 3 -20.666 -7.221 4.596 24 HD22 LEU 3 1HD2 LEU 3 -21.505 -5.702 4.909 25 HD23 LEU 3 2HD2 LEU 3 -19.743 -5.763 4.956 26 H ASP 4 H ASP 4 -19.038 -1.886 4.365 27 HA ASP 4 HA ASP 4 -20.174 0.602 3.475 28 HB2 ASP 4 1HB ASP 4 -17.437 -0.320 4.269 29 HB3 ASP 4 2HB ASP 4 -17.644 1.275 3.568 30 H VAL 5 H VAL 5 -18.621 1.818 1.720 31 HA VAL 5 HA VAL 5 -18.721 0.016 -0.645 32 HB VAL 5 HB VAL 5 -19.121 2.939 -0.202 33 HG11 VAL 5 1HG1 VAL 5 -18.982 3.280 -2.691 34 HG12 VAL 5 2HG1 VAL 5 -18.245 1.684 -2.823 35 HG13 VAL 5 3HG1 VAL 5 -17.406 2.973 -1.951 36 HG21 VAL 5 3HG2 VAL 5 -20.521 0.980 -2.015 37 HG22 VAL 5 1HG2 VAL 5 -21.126 2.528 -1.414 38 HG23 VAL 5 2HG2 VAL 5 -20.921 1.166 -0.301 39 HA PRO 6 HA PRO 6 -14.332 1.536 -1.060 40 HB2 PRO 6 1HB PRO 6 -13.322 3.605 0.207 41 HB3 PRO 6 2HB PRO 6 -14.624 3.878 -0.979 42 HG2 PRO 6 1HG PRO 6 -14.838 3.637 1.996 43 HG3 PRO 6 2HG PRO 6 -15.451 4.931 0.942 44 HD2 PRO 6 1HD PRO 6 -17.024 2.799 1.736 45 HD3 PRO 6 2HD PRO 6 -17.236 3.673 0.211 46 H GLU 7 H GLU 7 -14.951 -0.430 0.615 47 HA GLU 7 HA GLU 7 -13.596 -0.170 3.190 48 HB2 GLU 7 1HB GLU 7 -15.372 -1.635 3.481 49 HB3 GLU 7 2HB GLU 7 -15.333 -2.165 1.802 50 HG2 GLU 7 1HG GLU 7 -13.566 -3.682 2.205 51 HG3 GLU 7 2HG GLU 7 -13.189 -2.962 3.770 52 H GLN 8 H GLN 8 -13.067 -1.882 0.098 53 HA GLN 8 HA GLN 8 -10.665 -3.183 0.811 54 HB2 GLN 8 1HB GLN 8 -10.985 -1.876 -1.889 55 HB3 GLN 8 2HB GLN 8 -10.265 -3.438 -1.489 56 HG2 GLN 8 1HG GLN 8 -12.698 -4.011 -0.621 57 HG3 GLN 8 2HG GLN 8 -13.170 -2.684 -1.677 58 HE21 GLN 8 2HE2 GLN 8 -12.029 -5.984 -1.585 59 HE22 GLN 8 1HE2 GLN 8 -12.071 -6.258 -3.262 60 H VAL 9 H VAL 9 -11.326 0.131 -0.140 61 HA VAL 9 HA VAL 9 -8.790 1.253 -0.427 62 HB VAL 9 HB VAL 9 -11.136 2.383 1.115 63 HG11 VAL 9 1HG1 VAL 9 -9.345 3.761 1.654 64 HG12 VAL 9 2HG1 VAL 9 -10.065 4.577 0.262 65 HG13 VAL 9 3HG1 VAL 9 -8.609 3.601 0.055 66 HG21 VAL 9 3HG2 VAL 9 -10.494 2.269 -1.819 67 HG22 VAL 9 1HG2 VAL 9 -11.444 3.609 -1.169 68 HG23 VAL 9 2HG2 VAL 9 -12.028 1.954 -0.994 69 H ASP 10 H ASP 10 -10.643 1.471 2.571 70 HA ASP 10 HA ASP 10 -8.626 2.128 4.352 71 HB2 ASP 10 1HB ASP 10 -10.927 2.069 5.038 72 HB3 ASP 10 2HB ASP 10 -11.061 0.343 4.683 73 H LYS 11 H LYS 11 -9.364 -1.051 3.017 74 HA LYS 11 HA LYS 11 -7.408 -2.402 4.712 75 HB2 LYS 11 1HB LYS 11 -8.761 -3.298 2.155 76 HB3 LYS 11 2HB LYS 11 -7.771 -4.323 3.189 77 HG2 LYS 11 1HG LYS 11 -9.415 -3.641 5.079 78 HG3 LYS 11 2HG LYS 11 -10.473 -3.112 3.768 79 HD2 LYS 11 1HD LYS 11 -10.050 -5.472 2.754 80 HD3 LYS 11 2HD LYS 11 -9.470 -5.899 4.364 81 HE2 LYS 11 1HE LYS 11 -11.729 -4.848 5.180 82 HE3 LYS 11 2HE LYS 11 -12.233 -5.088 3.507 83 HZ1 LYS 11 3HZ LYS 11 -12.825 -7.018 4.721 84 HZ2 LYS 11 1HZ LYS 11 -11.282 -7.150 5.412 85 HZ3 LYS 11 2HZ LYS 11 -11.496 -7.437 3.751 86 H LEU 12 H LEU 12 -7.577 -1.150 1.403 87 HA LEU 12 HA LEU 12 -5.054 -2.025 0.478 88 HB2 LEU 12 1HB LEU 12 -6.650 0.423 -0.079 89 HB3 LEU 12 2HB LEU 12 -5.187 0.050 -0.925 90 HG LEU 12 HG LEU 12 -7.851 -0.860 -1.475 91 HD11 LEU 12 1HD1 LEU 12 -5.184 -1.469 -2.720 92 HD12 LEU 12 2HD1 LEU 12 -6.243 -0.115 -3.126 93 HD13 LEU 12 3HD1 LEU 12 -6.743 -1.769 -3.495 94 HD21 LEU 12 3HD2 LEU 12 -7.614 -3.233 -1.718 95 HD22 LEU 12 1HD2 LEU 12 -7.223 -2.872 -0.046 96 HD23 LEU 12 2HD2 LEU 12 -5.937 -3.187 -1.206 97 H ILE 13 H ILE 13 -5.936 1.093 1.931 98 HA ILE 13 HA ILE 13 -3.539 2.339 2.276 99 HB ILE 13 HB ILE 13 -5.987 1.985 3.948 100 HG12 ILE 13 1HG1 ILE 13 -6.039 4.443 3.696 101 HG13 ILE 13 2HG1 ILE 13 -4.526 4.379 2.805 102 HG21 ILE 13 1HG2 ILE 13 -3.403 3.148 4.973 103 HG22 ILE 13 2HG2 ILE 13 -4.479 1.981 5.753 104 HG23 ILE 13 3HG2 ILE 13 -4.975 3.670 5.601 105 HD11 ILE 13 3HD1 ILE 13 -6.405 4.481 1.251 106 HD12 ILE 13 1HD1 ILE 13 -7.147 3.087 2.025 107 HD13 ILE 13 2HD1 ILE 13 -5.636 2.902 1.134 108 H GLN 14 H GLN 14 -4.739 -0.334 4.330 109 HA GLN 14 HA GLN 14 -2.488 -0.476 6.047 110 HB2 GLN 14 1HB GLN 14 -4.219 -2.785 5.127 111 HB3 GLN 14 2HB GLN 14 -3.251 -2.709 6.578 112 HG2 GLN 14 1HG GLN 14 -4.635 -1.051 7.565 113 HG3 GLN 14 2HG GLN 14 -5.447 -0.735 6.038 114 HE21 GLN 14 2HE2 GLN 14 -7.391 -1.244 7.614 115 HE22 GLN 14 1HE2 GLN 14 -7.879 -2.869 7.679 116 H GLN 15 H GLN 15 -3.217 -2.274 3.030 117 HA GLN 15 HA GLN 15 -0.629 -3.543 3.043 118 HB2 GLN 15 1HB GLN 15 -1.339 -4.670 1.158 119 HB3 GLN 15 2HB GLN 15 -2.907 -4.125 1.738 120 HG2 GLN 15 1HG GLN 15 -2.466 -2.035 0.235 121 HG3 GLN 15 2HG GLN 15 -1.253 -3.042 -0.533 122 HE21 GLN 15 2HE2 GLN 15 -3.226 -2.383 -2.238 123 HE22 GLN 15 1HE2 GLN 15 -4.333 -3.652 -2.456 124 H ALA 16 H ALA 16 -1.934 -0.564 1.699 125 HA ALA 16 HA ALA 16 0.237 0.170 -0.000 126 HB1 ALA 16 3HB ALA 16 -2.022 1.384 0.362 127 HB2 ALA 16 1HB ALA 16 -0.595 2.400 0.160 128 HB3 ALA 16 2HB ALA 16 -1.262 2.127 1.770 129 H THR 17 H THR 17 -0.285 0.821 3.506 130 HA THR 17 HA THR 17 2.131 2.169 4.000 131 HB THR 17 HB THR 17 0.252 0.470 5.594 132 HG1 THR 17 HG1 THR 17 1.043 3.074 5.343 133 HG21 THR 17 3HG2 THR 17 1.793 0.968 7.614 134 HG22 THR 17 1HG2 THR 17 3.075 1.118 6.411 135 HG23 THR 17 2HG2 THR 17 2.194 -0.401 6.576 136 H SER 18 H SER 18 1.448 -1.326 3.839 137 HA SER 18 HA SER 18 4.065 -2.223 4.524 138 HB2 SER 18 1HB SER 18 3.304 -4.328 3.908 139 HB3 SER 18 2HB SER 18 1.757 -3.508 4.083 140 HG SER 18 HG SER 18 1.475 -3.633 2.002 141 H ILE 19 H ILE 19 2.578 -1.692 1.292 142 HA ILE 19 HA ILE 19 4.727 -2.276 -0.338 143 HB ILE 19 HB ILE 19 2.455 -0.318 -0.439 144 HG12 ILE 19 1HG1 ILE 19 2.144 -1.622 -2.677 145 HG13 ILE 19 2HG1 ILE 19 3.336 -2.720 -2.024 146 HG21 ILE 19 1HG2 ILE 19 4.088 1.051 -1.452 147 HG22 ILE 19 2HG2 ILE 19 3.206 0.308 -2.784 148 HG23 ILE 19 3HG2 ILE 19 4.796 -0.306 -2.323 149 HD11 ILE 19 3HD1 ILE 19 1.057 -3.475 -1.511 150 HD12 ILE 19 1HD1 ILE 19 0.762 -1.956 -0.673 151 HD13 ILE 19 2HD1 ILE 19 1.953 -3.091 -0.043 152 H GLU 20 H GLU 20 4.248 0.583 1.687 153 HA GLU 20 HA GLU 20 6.289 2.234 0.649 154 HB2 GLU 20 1HB GLU 20 4.539 2.586 2.608 155 HB3 GLU 20 2HB GLU 20 5.864 2.041 3.627 156 HG2 GLU 20 1HG GLU 20 7.290 3.806 2.354 157 HG3 GLU 20 2HG GLU 20 5.739 4.477 1.849 158 H ARG 21 H ARG 21 6.492 -0.343 3.104 159 HA ARG 21 HA ARG 21 9.361 -0.045 3.437 160 HB2 ARG 21 1HB ARG 21 7.444 -2.274 4.202 161 HB3 ARG 21 2HB ARG 21 9.141 -2.235 4.649 162 HG2 ARG 21 1HG ARG 21 8.257 -1.242 6.550 163 HG3 ARG 21 2HG ARG 21 8.477 0.203 5.570 164 HD2 ARG 21 1HD ARG 21 6.138 0.067 4.829 165 HD3 ARG 21 2HD ARG 21 5.913 -1.404 5.769 166 HE ARG 21 HE ARG 21 5.755 -0.070 7.714 167 HH11 ARG 21 1HH2 ARG 21 7.101 1.652 5.046 168 HH12 ARG 21 2HH2 ARG 21 7.093 3.181 5.858 169 HH21 ARG 21 1HH1 ARG 21 5.737 1.919 8.790 170 HH22 ARG 21 2HH1 ARG 21 6.320 3.332 7.978 171 H LEU 22 H LEU 22 7.243 -2.109 1.482 172 HA LEU 22 HA LEU 22 9.318 -3.877 0.549 173 HB2 LEU 22 1HB LEU 22 6.805 -3.122 -0.952 174 HB3 LEU 22 2HB LEU 22 7.732 -4.598 -1.089 175 HG LEU 22 HG LEU 22 5.954 -3.740 1.137 176 HD11 LEU 22 1HD1 LEU 22 6.243 -6.286 -0.447 177 HD12 LEU 22 2HD1 LEU 22 4.985 -5.069 -0.665 178 HD13 LEU 22 3HD1 LEU 22 5.049 -6.017 0.822 179 HD21 LEU 22 3HD2 LEU 22 8.173 -5.789 1.251 180 HD22 LEU 22 1HD2 LEU 22 6.811 -5.796 2.372 181 HD23 LEU 22 2HD2 LEU 22 7.918 -4.424 2.341 182 H CYS 23 H CYS 23 7.674 -1.187 -1.137 183 HA CYS 23 HA CYS 23 9.192 -1.040 -3.442 184 HB2 CYS 23 1HB CYS 23 7.913 1.059 -1.721 185 HB3 CYS 23 2HB CYS 23 8.885 1.565 -3.103 186 HG CYS 23 HG CYS 23 6.134 0.779 -3.442 187 H GLN 24 H GLN 24 10.040 0.645 -0.383 188 HA GLN 24 HA GLN 24 12.490 1.726 -1.187 189 HB2 GLN 24 1HB GLN 24 11.485 0.634 1.441 190 HB3 GLN 24 2HB GLN 24 13.116 1.276 1.302 191 HG2 GLN 24 1HG GLN 24 12.326 3.440 0.681 192 HG3 GLN 24 2HG GLN 24 10.694 2.835 0.397 193 HE21 GLN 24 2HE2 GLN 24 12.340 4.659 2.575 194 HE22 GLN 24 1HE2 GLN 24 11.500 4.266 3.996 195 H HIS 25 H HIS 25 11.625 -1.592 -0.553 196 HA HIS 25 HA HIS 25 14.468 -2.467 -0.659 197 HB2 HIS 25 1HB HIS 25 12.607 -3.377 0.961 198 HB3 HIS 25 2HB HIS 25 12.097 -4.326 -0.424 199 HD1 HIS 25 HD1 HIS 25 13.626 -5.293 2.327 200 HD2 HIS 25 HD2 HIS 25 15.217 -5.017 -1.520 201 HE1 HIS 25 HE1 HIS 25 15.615 -6.864 2.256 202 HE2 HIS 25 HE2 HIS 25 16.590 -6.704 -0.080 203 H TYR 26 H TYR 26 11.465 -3.706 -2.070 204 HA TYR 26 HA TYR 26 12.441 -5.175 -4.172 205 HB2 TYR 26 1HB TYR 26 9.969 -3.476 -3.916 206 HB3 TYR 26 2HB TYR 26 10.282 -4.360 -5.406 207 HD1 TYR 26 HD1 TYR 26 9.993 -4.791 -1.706 208 HD2 TYR 26 HD2 TYR 26 9.806 -6.674 -5.561 209 HE1 TYR 26 HE1 TYR 26 9.145 -6.868 -0.650 210 HE2 TYR 26 HE2 TYR 26 8.957 -8.751 -4.506 211 HH TYR 26 HH TYR 26 9.256 -9.716 -1.849 212 H ILE 27 H ILE 27 11.257 -1.838 -4.899 213 HA ILE 27 HA ILE 27 13.058 -1.833 -7.229 214 HB ILE 27 HB ILE 27 10.722 -0.990 -7.413 215 HG12 ILE 27 1HG1 ILE 27 12.819 1.128 -7.866 216 HG13 ILE 27 2HG1 ILE 27 12.558 -0.253 -8.920 217 HG21 ILE 27 1HG2 ILE 27 10.583 0.013 -5.173 218 HG22 ILE 27 2HG2 ILE 27 10.144 1.147 -6.448 219 HG23 ILE 27 3HG2 ILE 27 11.715 1.255 -5.682 220 HD11 ILE 27 3HD1 ILE 27 10.586 1.954 -8.298 221 HD12 ILE 27 1HD1 ILE 27 10.169 0.481 -9.176 222 HD13 ILE 27 2HD1 ILE 27 11.342 1.610 -9.854 223 H GLY 28 H GLY 28 12.739 -0.133 -4.136 224 HA2 GLY 28 1HA GLY 28 14.960 0.499 -3.098 225 HA3 GLY 28 2HA GLY 28 15.396 1.169 -4.664 226 H TRP 29 H TRP 29 12.963 2.407 -5.308 227 HA TRP 29 HA TRP 29 12.711 4.531 -3.203 228 HB2 TRP 29 1HB TRP 29 12.524 6.162 -5.028 229 HB3 TRP 29 2HB TRP 29 14.033 5.263 -5.178 230 HD1 TRP 29 HD1 TRP 29 13.733 2.937 -6.788 231 HE1 TRP 29 HE1 TRP 29 12.561 2.780 -9.078 232 HE3 TRP 29 HE3 TRP 29 10.912 7.190 -6.640 233 HZ2 TRP 29 HZ2 TRP 29 10.719 4.263 -10.650 234 HZ3 TRP 29 HZ3 TRP 29 9.467 7.800 -8.561 235 HH2 TRP 29 HH2 TRP 29 9.365 6.340 -10.564 236 H CYS 30 H CYS 30 10.651 5.963 -4.489 237 HA CYS 30 HA CYS 30 8.378 4.133 -4.025 238 HB2 CYS 30 1HB CYS 30 7.113 6.385 -4.355 239 HB3 CYS 30 2HB CYS 30 8.089 6.175 -2.904 240 HG CYS 30 HG CYS 30 8.622 8.203 -5.092 241 HA PRO 31 HA PRO 31 8.272 3.988 -8.588 242 HB2 PRO 31 1HB PRO 31 6.548 1.866 -8.854 243 HB3 PRO 31 2HB PRO 31 8.284 1.696 -8.568 244 HG2 PRO 31 1HG PRO 31 6.032 1.322 -6.693 245 HG3 PRO 31 2HG PRO 31 7.643 0.583 -6.694 246 HD2 PRO 31 1HD PRO 31 6.801 2.721 -5.036 247 HD3 PRO 31 2HD PRO 31 8.471 2.190 -5.285 248 H PHE 32 H PHE 32 5.365 3.767 -6.561 249 HA PHE 32 HA PHE 32 3.637 4.823 -8.659 250 HB2 PHE 32 1HB PHE 32 3.243 4.079 -5.760 251 HB3 PHE 32 2HB PHE 32 1.977 4.870 -6.693 252 HD1 PHE 32 HD1 PHE 32 1.143 3.785 -8.823 253 HD2 PHE 32 HD2 PHE 32 3.701 1.756 -6.031 254 HE1 PHE 32 HE1 PHE 32 0.514 1.608 -9.829 255 HE2 PHE 32 HE2 PHE 32 3.072 -0.421 -7.037 256 HZ PHE 32 HZ PHE 32 1.478 -0.496 -8.936 257 H TRP 33 H TRP 33 4.119 5.967 -5.312 258 HA TRP 33 HA TRP 33 3.847 8.762 -6.295 259 HB2 TRP 33 1HB TRP 33 3.788 9.144 -3.700 260 HB3 TRP 33 2HB TRP 33 2.380 8.450 -4.497 261 HD1 TRP 33 HD1 TRP 33 5.259 7.569 -2.177 262 HE1 TRP 33 HE1 TRP 33 4.811 5.250 -1.134 263 HE3 TRP 33 HE3 TRP 33 1.181 6.144 -4.900 264 HZ2 TRP 33 HZ2 TRP 33 2.977 3.093 -1.416 265 HZ3 TRP 33 HZ3 TRP 33 0.107 3.947 -4.496 266 HH2 TRP 33 HH2 TRP 33 0.998 2.417 -2.756 Start of MODEL 5 1 H1 ASN 1 1H ASN 1 -25.716 -0.304 -0.810 2 H2 ASN 1 2H ASN 1 -24.723 -1.208 0.231 3 H3 ASN 1 3H ASN 1 -24.293 0.381 -0.190 4 HA ASN 1 HA ASN 1 -25.720 1.327 1.262 5 HB2 ASN 1 1HB ASN 1 -27.463 -1.142 0.981 6 HB3 ASN 1 2HB ASN 1 -27.886 0.328 1.860 7 HD21 ASN 1 2HD2 ASN 1 -29.618 1.032 0.496 8 HD22 ASN 1 1HD2 ASN 1 -29.394 1.466 -1.130 9 H GLU 2 H GLU 2 -25.382 -2.211 1.645 10 HA GLU 2 HA GLU 2 -25.172 -2.030 4.536 11 HB2 GLU 2 1HB GLU 2 -25.936 -4.071 3.236 12 HB3 GLU 2 2HB GLU 2 -24.251 -4.315 2.775 13 HG2 GLU 2 1HG GLU 2 -24.581 -5.663 4.715 14 HG3 GLU 2 2HG GLU 2 -23.707 -4.236 5.275 15 H LEU 3 H LEU 3 -22.712 -3.452 2.398 16 HA LEU 3 HA LEU 3 -20.540 -2.848 4.133 17 HB2 LEU 3 1HB LEU 3 -20.362 -3.135 1.129 18 HB3 LEU 3 2HB LEU 3 -19.093 -3.439 2.312 19 HG LEU 3 HG LEU 3 -21.564 -5.078 1.734 20 HD11 LEU 3 1HD1 LEU 3 -19.493 -5.598 0.531 21 HD12 LEU 3 2HD1 LEU 3 -19.871 -6.890 1.672 22 HD13 LEU 3 3HD1 LEU 3 -18.618 -5.706 2.058 23 HD21 LEU 3 3HD2 LEU 3 -19.879 -5.084 4.259 24 HD22 LEU 3 1HD2 LEU 3 -20.868 -6.458 3.765 25 HD23 LEU 3 2HD2 LEU 3 -21.631 -4.912 4.137 26 H ASP 4 H ASP 4 -18.790 -1.311 3.762 27 HA ASP 4 HA ASP 4 -19.749 1.326 3.075 28 HB2 ASP 4 1HB ASP 4 -17.154 0.137 3.931 29 HB3 ASP 4 2HB ASP 4 -17.108 1.723 3.181 30 H VAL 5 H VAL 5 -17.994 2.500 1.447 31 HA VAL 5 HA VAL 5 -18.233 0.908 -1.057 32 HB VAL 5 HB VAL 5 -18.486 3.794 -0.363 33 HG11 VAL 5 1HG1 VAL 5 -17.600 2.749 -3.070 34 HG12 VAL 5 2HG1 VAL 5 -16.761 3.943 -2.073 35 HG13 VAL 5 3HG1 VAL 5 -18.310 4.345 -2.824 36 HG21 VAL 5 3HG2 VAL 5 -20.482 3.597 -1.661 37 HG22 VAL 5 1HG2 VAL 5 -20.375 2.159 -0.636 38 HG23 VAL 5 2HG2 VAL 5 -19.952 2.061 -2.350 39 HA PRO 6 HA PRO 6 -13.802 2.352 -1.459 40 HB2 PRO 6 1HB PRO 6 -12.666 4.159 0.104 41 HB3 PRO 6 2HB PRO 6 -13.963 4.670 -1.003 42 HG2 PRO 6 1HG PRO 6 -14.157 3.959 1.901 43 HG3 PRO 6 2HG PRO 6 -14.713 5.436 1.078 44 HD2 PRO 6 1HD PRO 6 -16.388 3.321 1.546 45 HD3 PRO 6 2HD PRO 6 -16.541 4.394 0.149 46 H GLU 7 H GLU 7 -14.968 0.595 0.726 47 HA GLU 7 HA GLU 7 -13.196 0.312 2.878 48 HB2 GLU 7 1HB GLU 7 -15.374 -1.141 1.866 49 HB3 GLU 7 2HB GLU 7 -14.059 -2.309 1.810 50 HG2 GLU 7 1HG GLU 7 -15.026 -0.750 4.221 51 HG3 GLU 7 2HG GLU 7 -15.134 -2.491 3.969 52 H GLN 8 H GLN 8 -12.769 -0.750 -0.473 53 HA GLN 8 HA GLN 8 -10.534 -2.441 -0.177 54 HB2 GLN 8 1HB GLN 8 -10.692 -0.291 -2.293 55 HB3 GLN 8 2HB GLN 8 -9.933 -1.881 -2.411 56 HG2 GLN 8 1HG GLN 8 -12.886 -1.281 -2.187 57 HG3 GLN 8 2HG GLN 8 -12.039 -1.979 -3.557 58 HE21 GLN 8 2HE2 GLN 8 -12.780 -2.668 -0.110 59 HE22 GLN 8 1HE2 GLN 8 -12.762 -4.355 -0.289 60 H VAL 9 H VAL 9 -10.686 1.075 -0.344 61 HA VAL 9 HA VAL 9 -8.043 1.865 -0.140 62 HB VAL 9 HB VAL 9 -10.368 2.916 1.489 63 HG11 VAL 9 1HG1 VAL 9 -7.612 3.967 0.936 64 HG12 VAL 9 2HG1 VAL 9 -8.497 3.879 2.465 65 HG13 VAL 9 3HG1 VAL 9 -8.952 5.075 1.247 66 HG21 VAL 9 3HG2 VAL 9 -10.961 2.958 -0.822 67 HG22 VAL 9 1HG2 VAL 9 -9.363 3.544 -1.288 68 HG23 VAL 9 2HG2 VAL 9 -10.464 4.600 -0.402 69 H ASP 10 H ASP 10 -10.087 1.625 2.731 70 HA ASP 10 HA ASP 10 -8.132 1.567 4.695 71 HB2 ASP 10 1HB ASP 10 -10.481 1.637 5.241 72 HB3 ASP 10 2HB ASP 10 -10.749 0.044 4.528 73 H LYS 11 H LYS 11 -9.184 -1.110 2.644 74 HA LYS 11 HA LYS 11 -7.501 -3.064 4.013 75 HB2 LYS 11 1HB LYS 11 -8.739 -3.164 1.247 76 HB3 LYS 11 2HB LYS 11 -7.988 -4.519 2.080 77 HG2 LYS 11 1HG LYS 11 -9.676 -4.357 3.864 78 HG3 LYS 11 2HG LYS 11 -10.430 -3.002 3.027 79 HD2 LYS 11 1HD LYS 11 -10.676 -4.533 1.011 80 HD3 LYS 11 2HD LYS 11 -10.200 -5.864 2.067 81 HE2 LYS 11 1HE LYS 11 -12.099 -5.030 3.626 82 HE3 LYS 11 2HE LYS 11 -12.665 -4.140 2.211 83 HZ1 LYS 11 3HZ LYS 11 -13.353 -6.649 2.734 84 HZ2 LYS 11 1HZ LYS 11 -11.985 -6.926 1.772 85 HZ3 LYS 11 2HZ LYS 11 -13.280 -6.011 1.161 86 H LEU 12 H LEU 12 -7.291 -1.064 1.109 87 HA LEU 12 HA LEU 12 -4.820 -1.996 0.112 88 HB2 LEU 12 1HB LEU 12 -6.053 0.708 0.105 89 HB3 LEU 12 2HB LEU 12 -4.608 0.326 -0.762 90 HG LEU 12 HG LEU 12 -7.348 -0.062 -1.565 91 HD11 LEU 12 1HD1 LEU 12 -6.267 -0.556 -3.732 92 HD12 LEU 12 2HD1 LEU 12 -4.717 -0.649 -2.889 93 HD13 LEU 12 3HD1 LEU 12 -5.599 0.879 -2.949 94 HD21 LEU 12 3HD2 LEU 12 -5.702 -2.588 -1.848 95 HD22 LEU 12 1HD2 LEU 12 -7.345 -2.315 -2.410 96 HD23 LEU 12 2HD2 LEU 12 -7.022 -2.425 -0.691 97 H ILE 13 H ILE 13 -5.474 0.741 2.256 98 HA ILE 13 HA ILE 13 -2.975 1.555 2.986 99 HB ILE 13 HB ILE 13 -5.586 1.219 4.391 100 HG12 ILE 13 1HG1 ILE 13 -5.298 3.659 4.672 101 HG13 ILE 13 2HG1 ILE 13 -3.736 3.562 3.876 102 HG21 ILE 13 1HG2 ILE 13 -4.510 2.374 6.423 103 HG22 ILE 13 2HG2 ILE 13 -2.971 1.774 5.785 104 HG23 ILE 13 3HG2 ILE 13 -4.247 0.636 6.243 105 HD11 ILE 13 3HD1 ILE 13 -4.883 2.638 1.864 106 HD12 ILE 13 1HD1 ILE 13 -5.441 4.256 2.277 107 HD13 ILE 13 2HD1 ILE 13 -6.424 2.857 2.689 108 H GLN 14 H GLN 14 -4.693 -1.216 4.488 109 HA GLN 14 HA GLN 14 -2.733 -1.989 6.301 110 HB2 GLN 14 1HB GLN 14 -4.576 -3.747 4.672 111 HB3 GLN 14 2HB GLN 14 -3.650 -4.282 6.062 112 HG2 GLN 14 1HG GLN 14 -4.759 -2.438 7.395 113 HG3 GLN 14 2HG GLN 14 -5.833 -2.218 6.019 114 HE21 GLN 14 2HE2 GLN 14 -7.739 -2.991 7.105 115 HE22 GLN 14 1HE2 GLN 14 -7.923 -4.617 7.556 116 H GLN 15 H GLN 15 -3.025 -2.995 2.892 117 HA GLN 15 HA GLN 15 -0.440 -4.382 3.083 118 HB2 GLN 15 1HB GLN 15 -0.722 -4.647 0.573 119 HB3 GLN 15 2HB GLN 15 -1.988 -5.377 1.559 120 HG2 GLN 15 1HG GLN 15 -3.425 -3.438 1.194 121 HG3 GLN 15 2HG GLN 15 -2.159 -2.655 0.247 122 HE21 GLN 15 2HE2 GLN 15 -3.449 -2.669 -1.728 123 HE22 GLN 15 1HE2 GLN 15 -3.770 -4.110 -2.565 124 H ALA 16 H ALA 16 -1.694 -1.356 1.790 125 HA ALA 16 HA ALA 16 0.511 -0.421 0.340 126 HB1 ALA 16 3HB ALA 16 -1.847 0.671 1.032 127 HB2 ALA 16 1HB ALA 16 -0.499 1.662 0.477 128 HB3 ALA 16 2HB ALA 16 -0.833 1.510 2.204 129 H THR 17 H THR 17 -0.035 -0.117 3.885 130 HA THR 17 HA THR 17 2.278 1.294 4.545 131 HB THR 17 HB THR 17 0.562 -0.739 5.934 132 HG1 THR 17 HG1 THR 17 -0.275 1.081 6.485 133 HG21 THR 17 3HG2 THR 17 1.981 -0.216 8.016 134 HG22 THR 17 1HG2 THR 17 3.243 0.251 6.876 135 HG23 THR 17 2HG2 THR 17 2.616 -1.395 6.869 136 H SER 18 H SER 18 1.868 -2.221 4.073 137 HA SER 18 HA SER 18 4.579 -2.899 4.690 138 HB2 SER 18 1HB SER 18 4.004 -5.041 4.019 139 HB3 SER 18 2HB SER 18 2.394 -4.380 4.272 140 HG SER 18 HG SER 18 2.054 -4.613 2.224 141 H ILE 19 H ILE 19 2.951 -2.251 1.557 142 HA ILE 19 HA ILE 19 5.120 -2.602 -0.160 143 HB ILE 19 HB ILE 19 2.709 -0.805 -0.131 144 HG12 ILE 19 1HG1 ILE 19 2.356 -2.112 -2.347 145 HG13 ILE 19 2HG1 ILE 19 3.649 -3.147 -1.780 146 HG21 ILE 19 1HG2 ILE 19 5.012 -0.651 -2.052 147 HG22 ILE 19 2HG2 ILE 19 4.190 0.659 -1.204 148 HG23 ILE 19 3HG2 ILE 19 3.380 -0.172 -2.530 149 HD11 ILE 19 3HD1 ILE 19 1.065 -2.581 -0.324 150 HD12 ILE 19 1HD1 ILE 19 2.381 -3.571 0.300 151 HD13 ILE 19 2HD1 ILE 19 1.497 -4.085 -1.131 152 H GLU 20 H GLU 20 4.374 0.067 2.026 153 HA GLU 20 HA GLU 20 6.179 1.997 1.065 154 HB2 GLU 20 1HB GLU 20 4.437 2.023 3.053 155 HB3 GLU 20 2HB GLU 20 5.829 1.585 4.028 156 HG2 GLU 20 1HG GLU 20 5.852 3.967 2.151 157 HG3 GLU 20 2HG GLU 20 5.350 4.085 3.832 158 H ARG 21 H ARG 21 6.758 -0.681 3.338 159 HA ARG 21 HA ARG 21 9.566 -0.032 3.675 160 HB2 ARG 21 1HB ARG 21 8.010 -2.573 4.256 161 HB3 ARG 21 2HB ARG 21 9.681 -2.300 4.712 162 HG2 ARG 21 1HG ARG 21 8.538 -1.696 6.667 163 HG3 ARG 21 2HG ARG 21 8.807 -0.145 5.883 164 HD2 ARG 21 1HD ARG 21 6.563 0.228 5.774 165 HD3 ARG 21 2HD ARG 21 6.284 -1.316 4.975 166 HE ARG 21 HE ARG 21 5.934 -0.774 7.808 167 HH11 ARG 21 1HH2 ARG 21 6.719 -3.110 5.396 168 HH12 ARG 21 2HH2 ARG 21 6.202 -4.462 6.349 169 HH21 ARG 21 1HH1 ARG 21 5.255 -2.526 9.064 170 HH22 ARG 21 2HH1 ARG 21 5.373 -4.131 8.424 171 H LEU 22 H LEU 22 7.751 -2.377 1.695 172 HA LEU 22 HA LEU 22 10.034 -3.692 0.578 173 HB2 LEU 22 1HB LEU 22 7.383 -3.248 -0.813 174 HB3 LEU 22 2HB LEU 22 8.523 -4.553 -1.072 175 HG LEU 22 HG LEU 22 6.702 -4.120 1.241 176 HD11 LEU 22 1HD1 LEU 22 7.365 -6.506 -0.471 177 HD12 LEU 22 2HD1 LEU 22 5.929 -5.496 -0.627 178 HD13 LEU 22 3HD1 LEU 22 6.159 -6.485 0.815 179 HD21 LEU 22 3HD2 LEU 22 8.787 -4.532 2.370 180 HD22 LEU 22 1HD2 LEU 22 9.224 -5.784 1.207 181 HD23 LEU 22 2HD2 LEU 22 7.913 -6.063 2.351 182 H CYS 23 H CYS 23 7.926 -1.281 -0.996 183 HA CYS 23 HA CYS 23 9.365 -0.764 -3.288 184 HB2 CYS 23 1HB CYS 23 8.475 1.531 -3.194 185 HB3 CYS 23 2HB CYS 23 7.247 0.360 -2.732 186 HG CYS 23 HG CYS 23 8.019 2.600 -1.018 187 H GLN 24 H GLN 24 9.917 0.992 -0.202 188 HA GLN 24 HA GLN 24 12.120 2.508 -1.036 189 HB2 GLN 24 1HB GLN 24 11.290 1.352 1.623 190 HB3 GLN 24 2HB GLN 24 12.774 2.284 1.477 191 HG2 GLN 24 1HG GLN 24 11.558 4.210 0.642 192 HG3 GLN 24 2HG GLN 24 10.060 3.280 0.581 193 HE21 GLN 24 2HE2 GLN 24 11.819 2.311 3.302 194 HE22 GLN 24 1HE2 GLN 24 11.060 3.296 4.457 195 H HIS 25 H HIS 25 11.926 -0.891 -0.275 196 HA HIS 25 HA HIS 25 14.884 -1.163 -0.255 197 HB2 HIS 25 1HB HIS 25 13.081 -2.398 1.267 198 HB3 HIS 25 2HB HIS 25 12.984 -3.498 -0.095 199 HD1 HIS 25 HD1 HIS 25 14.380 -5.483 0.503 200 HD2 HIS 25 HD2 HIS 25 16.260 -1.911 1.557 201 HE1 HIS 25 HE1 HIS 25 16.673 -6.111 1.381 202 HE2 HIS 25 HE2 HIS 25 17.825 -3.944 2.025 203 H TYR 26 H TYR 26 12.235 -2.952 -1.798 204 HA TYR 26 HA TYR 26 13.674 -4.219 -3.806 205 HB2 TYR 26 1HB TYR 26 10.832 -3.230 -3.665 206 HB3 TYR 26 2HB TYR 26 11.422 -4.031 -5.119 207 HD1 TYR 26 HD2 TYR 26 11.060 -4.443 -1.428 208 HD2 TYR 26 HD1 TYR 26 11.645 -6.392 -5.212 209 HE1 TYR 26 HE2 TYR 26 10.757 -6.651 -0.339 210 HE2 TYR 26 HE1 TYR 26 11.341 -8.598 -4.123 211 HH TYR 26 HH TYR 26 11.621 -9.152 -0.989 212 H ILE 27 H ILE 27 11.725 -1.269 -4.562 213 HA ILE 27 HA ILE 27 13.562 -0.794 -6.847 214 HB ILE 27 HB ILE 27 11.048 -0.910 -7.111 215 HG12 ILE 27 1HG1 ILE 27 12.241 1.753 -7.870 216 HG13 ILE 27 2HG1 ILE 27 12.608 0.252 -8.710 217 HG21 ILE 27 1HG2 ILE 27 10.653 0.359 -4.964 218 HG22 ILE 27 2HG2 ILE 27 9.699 0.873 -6.353 219 HG23 ILE 27 3HG2 ILE 27 11.096 1.798 -5.860 220 HD11 ILE 27 3HD1 ILE 27 9.881 1.532 -8.418 221 HD12 ILE 27 1HD1 ILE 27 10.157 -0.064 -9.113 222 HD13 ILE 27 2HD1 ILE 27 10.816 1.366 -9.905 223 H GLY 28 H GLY 28 12.203 0.931 -4.033 224 HA2 GLY 28 1HA GLY 28 13.929 2.359 -2.805 225 HA3 GLY 28 2HA GLY 28 14.322 3.035 -4.388 226 H TRP 29 H TRP 29 11.814 3.308 -5.485 227 HA TRP 29 HA TRP 29 10.504 5.338 -3.692 228 HB2 TRP 29 1HB TRP 29 9.843 6.527 -5.709 229 HB3 TRP 29 2HB TRP 29 11.581 6.240 -5.777 230 HD1 TRP 29 HD1 TRP 29 12.310 3.959 -7.193 231 HE1 TRP 29 HE1 TRP 29 11.308 3.068 -9.400 232 HE3 TRP 29 HE3 TRP 29 7.838 6.415 -7.198 233 HZ2 TRP 29 HZ2 TRP 29 8.945 3.359 -10.956 234 HZ3 TRP 29 HZ3 TRP 29 6.229 6.091 -9.056 235 HH2 TRP 29 HH2 TRP 29 6.774 4.565 -10.934 236 H CYS 30 H CYS 30 8.053 5.575 -4.389 237 HA CYS 30 HA CYS 30 6.865 2.929 -4.115 238 HB2 CYS 30 1HB CYS 30 4.713 4.501 -4.443 239 HB3 CYS 30 2HB CYS 30 5.619 4.473 -2.930 240 HG CYS 30 HG CYS 30 5.244 6.949 -4.247 241 HA PRO 31 HA PRO 31 6.852 2.428 -8.675 242 HB2 PRO 31 1HB PRO 31 4.969 0.191 -8.037 243 HB3 PRO 31 2HB PRO 31 6.439 0.179 -9.029 244 HG2 PRO 31 1HG PRO 31 6.358 -0.901 -6.571 245 HG3 PRO 31 2HG PRO 31 7.813 -0.129 -7.222 246 HD2 PRO 31 1HD PRO 31 5.910 0.888 -5.153 247 HD3 PRO 31 2HD PRO 31 7.644 1.194 -5.344 248 H PHE 32 H PHE 32 3.979 2.298 -6.615 249 HA PHE 32 HA PHE 32 2.143 2.944 -8.776 250 HB2 PHE 32 1HB PHE 32 1.880 2.589 -5.790 251 HB3 PHE 32 2HB PHE 32 0.526 3.099 -6.788 252 HD1 PHE 32 HD2 PHE 32 -0.162 1.621 -8.764 253 HD2 PHE 32 HD1 PHE 32 2.509 0.309 -5.666 254 HE1 PHE 32 HE2 PHE 32 -0.578 -0.739 -9.404 255 HE2 PHE 32 HE1 PHE 32 2.094 -2.050 -6.307 256 HZ PHE 32 HZ PHE 32 0.551 -2.573 -8.176 257 H TRP 33 H TRP 33 2.565 4.557 -5.623 258 HA TRP 33 HA TRP 33 1.957 7.151 -6.925 259 HB2 TRP 33 1HB TRP 33 2.096 7.875 -4.399 260 HB3 TRP 33 2HB TRP 33 0.702 6.959 -4.962 261 HD1 TRP 33 HD1 TRP 33 3.790 6.698 -2.792 262 HE1 TRP 33 HE1 TRP 33 3.702 4.490 -1.451 263 HE3 TRP 33 HE3 TRP 33 -0.215 4.467 -5.035 264 HZ2 TRP 33 HZ2 TRP 33 2.144 2.107 -1.353 265 HZ3 TRP 33 HZ3 TRP 33 -0.980 2.227 -4.300 266 HH2 TRP 33 HH2 TRP 33 0.192 1.043 -2.462 Start of MODEL 6 1 H1 ASN 1 1H ASN 1 -24.917 -4.866 3.444 2 H2 ASN 1 2H ASN 1 -24.603 -4.510 1.812 3 H3 ASN 1 3H ASN 1 -26.077 -5.226 2.260 4 HA ASN 1 HA ASN 1 -25.709 -2.589 1.864 5 HB2 ASN 1 1HB ASN 1 -27.694 -3.842 3.784 6 HB3 ASN 1 2HB ASN 1 -27.907 -2.350 2.867 7 HD21 ASN 1 2HD2 ASN 1 -28.510 -5.702 2.789 8 HD22 ASN 1 1HD2 ASN 1 -28.857 -5.845 1.134 9 H GLU 2 H GLU 2 -26.067 -3.999 5.147 10 HA GLU 2 HA GLU 2 -25.541 -1.638 6.587 11 HB2 GLU 2 1HB GLU 2 -26.335 -3.655 7.702 12 HB3 GLU 2 2HB GLU 2 -24.840 -4.501 7.299 13 HG2 GLU 2 1HG GLU 2 -23.545 -3.085 8.728 14 HG3 GLU 2 2HG GLU 2 -24.884 -1.954 8.931 15 H LEU 3 H LEU 3 -23.272 -3.989 5.215 16 HA LEU 3 HA LEU 3 -20.857 -3.097 6.333 17 HB2 LEU 3 1HB LEU 3 -21.279 -3.835 3.433 18 HB3 LEU 3 2HB LEU 3 -19.757 -3.878 4.317 19 HG LEU 3 HG LEU 3 -22.188 -5.633 4.761 20 HD11 LEU 3 1HD1 LEU 3 -20.430 -7.403 4.361 21 HD12 LEU 3 2HD1 LEU 3 -19.318 -6.104 3.928 22 HD13 LEU 3 3HD1 LEU 3 -20.772 -6.380 2.966 23 HD21 LEU 3 3HD2 LEU 3 -19.750 -5.148 6.486 24 HD22 LEU 3 1HD2 LEU 3 -20.573 -6.709 6.511 25 HD23 LEU 3 2HD2 LEU 3 -21.442 -5.250 6.978 26 H ASP 4 H ASP 4 -19.391 -1.438 5.797 27 HA ASP 4 HA ASP 4 -20.475 1.000 4.783 28 HB2 ASP 4 1HB ASP 4 -17.735 -0.028 5.372 29 HB3 ASP 4 2HB ASP 4 -17.871 1.453 4.443 30 H VAL 5 H VAL 5 -19.000 1.956 2.756 31 HA VAL 5 HA VAL 5 -19.547 0.009 0.566 32 HB VAL 5 HB VAL 5 -19.786 2.970 0.844 33 HG11 VAL 5 1HG1 VAL 5 -19.979 3.133 -1.663 34 HG12 VAL 5 2HG1 VAL 5 -19.301 1.510 -1.772 35 HG13 VAL 5 3HG1 VAL 5 -18.327 2.830 -1.112 36 HG21 VAL 5 3HG2 VAL 5 -21.646 1.312 1.124 37 HG22 VAL 5 1HG2 VAL 5 -21.471 0.921 -0.592 38 HG23 VAL 5 2HG2 VAL 5 -21.942 2.552 -0.107 39 HA PRO 6 HA PRO 6 -15.229 1.344 -0.602 40 HB2 PRO 6 1HB PRO 6 -13.970 3.430 0.394 41 HB3 PRO 6 2HB PRO 6 -15.426 3.695 -0.599 42 HG2 PRO 6 1HG PRO 6 -15.207 3.599 2.384 43 HG3 PRO 6 2HG PRO 6 -15.921 4.870 1.367 44 HD2 PRO 6 1HD PRO 6 -17.439 2.856 2.483 45 HD3 PRO 6 2HD PRO 6 -17.831 3.653 0.952 46 H GLU 7 H GLU 7 -15.879 -0.321 1.602 47 HA GLU 7 HA GLU 7 -13.988 0.002 3.737 48 HB2 GLU 7 1HB GLU 7 -16.241 -1.550 3.309 49 HB3 GLU 7 2HB GLU 7 -14.969 -2.759 3.180 50 HG2 GLU 7 1HG GLU 7 -14.053 -1.785 5.372 51 HG3 GLU 7 2HG GLU 7 -15.587 -0.931 5.497 52 H GLN 8 H GLN 8 -13.968 -1.879 0.709 53 HA GLN 8 HA GLN 8 -11.578 -3.319 1.152 54 HB2 GLN 8 1HB GLN 8 -12.182 -2.017 -1.514 55 HB3 GLN 8 2HB GLN 8 -11.451 -3.592 -1.199 56 HG2 GLN 8 1HG GLN 8 -13.683 -4.236 -0.110 57 HG3 GLN 8 2HG GLN 8 -14.341 -2.778 -0.854 58 HE21 GLN 8 2HE2 GLN 8 -12.875 -5.940 -1.582 59 HE22 GLN 8 1HE2 GLN 8 -13.391 -5.996 -3.198 60 H VAL 9 H VAL 9 -12.094 -0.019 -0.006 61 HA VAL 9 HA VAL 9 -9.559 0.905 -0.595 62 HB VAL 9 HB VAL 9 -11.573 2.318 1.160 63 HG11 VAL 9 1HG1 VAL 9 -9.681 3.619 1.304 64 HG12 VAL 9 2HG1 VAL 9 -10.508 4.334 -0.084 65 HG13 VAL 9 3HG1 VAL 9 -9.156 3.229 -0.339 66 HG21 VAL 9 3HG2 VAL 9 -12.805 1.751 -0.744 67 HG22 VAL 9 1HG2 VAL 9 -11.413 1.938 -1.816 68 HG23 VAL 9 2HG2 VAL 9 -12.197 3.363 -1.130 69 H ASP 10 H ASP 10 -10.993 1.426 2.579 70 HA ASP 10 HA ASP 10 -8.768 2.066 4.070 71 HB2 ASP 10 1HB ASP 10 -10.987 2.141 4.981 72 HB3 ASP 10 2HB ASP 10 -11.204 0.397 4.774 73 H LYS 11 H LYS 11 -9.739 -1.138 2.986 74 HA LYS 11 HA LYS 11 -7.625 -2.455 4.538 75 HB2 LYS 11 1HB LYS 11 -9.267 -3.522 2.229 76 HB3 LYS 11 2HB LYS 11 -8.265 -4.477 3.313 77 HG2 LYS 11 1HG LYS 11 -9.681 -3.893 5.200 78 HG3 LYS 11 2HG LYS 11 -10.642 -2.830 4.175 79 HD2 LYS 11 1HD LYS 11 -11.009 -4.958 2.697 80 HD3 LYS 11 2HD LYS 11 -10.458 -5.840 4.117 81 HE2 LYS 11 1HE LYS 11 -12.948 -5.561 3.931 82 HE3 LYS 11 2HE LYS 11 -12.252 -4.984 5.441 83 HZ1 LYS 11 3HZ LYS 11 -13.886 -3.459 4.413 84 HZ2 LYS 11 1HZ LYS 11 -12.825 -3.254 3.108 85 HZ3 LYS 11 2HZ LYS 11 -12.361 -2.756 4.664 86 H LEU 12 H LEU 12 -8.213 -1.418 1.193 87 HA LEU 12 HA LEU 12 -5.852 -2.450 0.040 88 HB2 LEU 12 1HB LEU 12 -7.461 -0.017 -0.499 89 HB3 LEU 12 2HB LEU 12 -6.099 -0.453 -1.474 90 HG LEU 12 HG LEU 12 -8.780 -1.319 -1.763 91 HD11 LEU 12 1HD1 LEU 12 -6.236 -2.333 -3.015 92 HD12 LEU 12 2HD1 LEU 12 -7.141 -0.904 -3.529 93 HD13 LEU 12 3HD1 LEU 12 -7.854 -2.510 -3.705 94 HD21 LEU 12 3HD2 LEU 12 -8.198 -3.172 -0.106 95 HD22 LEU 12 1HD2 LEU 12 -7.034 -3.744 -1.299 96 HD23 LEU 12 2HD2 LEU 12 -8.747 -3.699 -1.683 97 H ILE 13 H ILE 13 -6.460 0.764 1.411 98 HA ILE 13 HA ILE 13 -4.006 1.963 1.345 99 HB ILE 13 HB ILE 13 -6.219 1.787 3.345 100 HG12 ILE 13 1HG1 ILE 13 -6.260 4.217 2.938 101 HG13 ILE 13 2HG1 ILE 13 -4.862 4.066 1.886 102 HG21 ILE 13 1HG2 ILE 13 -3.498 2.935 3.948 103 HG22 ILE 13 2HG2 ILE 13 -4.481 1.846 4.934 104 HG23 ILE 13 3HG2 ILE 13 -4.962 3.534 4.743 105 HD11 ILE 13 3HD1 ILE 13 -6.161 2.553 0.423 106 HD12 ILE 13 1HD1 ILE 13 -6.943 4.124 0.581 107 HD13 ILE 13 2HD1 ILE 13 -7.551 2.746 1.490 108 H GLN 14 H GLN 14 -5.002 -0.430 3.831 109 HA GLN 14 HA GLN 14 -2.574 -0.609 5.220 110 HB2 GLN 14 1HB GLN 14 -4.410 -2.918 4.528 111 HB3 GLN 14 2HB GLN 14 -3.268 -2.849 5.846 112 HG2 GLN 14 1HG GLN 14 -4.492 -1.152 6.981 113 HG3 GLN 14 2HG GLN 14 -5.502 -0.861 5.568 114 HE21 GLN 14 2HE2 GLN 14 -7.279 -1.328 7.285 115 HE22 GLN 14 1HE2 GLN 14 -7.729 -2.951 7.500 116 H GLN 15 H GLN 15 -3.639 -2.352 2.298 117 HA GLN 15 HA GLN 15 -1.211 -3.808 1.917 118 HB2 GLN 15 1HB GLN 15 -2.959 -2.728 -0.309 119 HB3 GLN 15 2HB GLN 15 -1.938 -4.163 -0.350 120 HG2 GLN 15 1HG GLN 15 -3.374 -5.158 1.449 121 HG3 GLN 15 2HG GLN 15 -4.447 -3.773 1.298 122 HE21 GLN 15 2HE2 GLN 15 -4.457 -3.421 -1.514 123 HE22 GLN 15 1HE2 GLN 15 -5.155 -4.787 -2.240 124 H ALA 16 H ALA 16 -2.324 -0.830 0.321 125 HA ALA 16 HA ALA 16 -0.017 -0.087 -1.043 126 HB1 ALA 16 3HB ALA 16 -2.160 1.193 -1.059 127 HB2 ALA 16 1HB ALA 16 -0.765 2.240 -0.798 128 HB3 ALA 16 2HB ALA 16 -1.797 1.788 0.563 129 H THR 17 H THR 17 -0.715 0.524 2.425 130 HA THR 17 HA THR 17 1.627 1.990 2.989 131 HB THR 17 HB THR 17 -0.268 0.278 4.571 132 HG1 THR 17 HG1 THR 17 -1.042 2.237 4.491 133 HG21 THR 17 3HG2 THR 17 2.371 1.374 5.527 134 HG22 THR 17 1HG2 THR 17 1.726 -0.255 5.718 135 HG23 THR 17 2HG2 THR 17 1.024 1.081 6.629 136 H SER 18 H SER 18 1.075 -1.550 3.025 137 HA SER 18 HA SER 18 3.736 -2.165 3.916 138 HB2 SER 18 1HB SER 18 3.116 -4.438 2.723 139 HB3 SER 18 2HB SER 18 2.276 -3.962 4.192 140 HG SER 18 HG SER 18 0.929 -4.635 2.377 141 H ILE 19 H ILE 19 2.265 -1.908 0.663 142 HA ILE 19 HA ILE 19 4.427 -2.746 -0.884 143 HB ILE 19 HB ILE 19 2.209 -0.740 -1.241 144 HG12 ILE 19 1HG1 ILE 19 1.807 -2.343 -3.251 145 HG13 ILE 19 2HG1 ILE 19 2.964 -3.393 -2.463 146 HG21 ILE 19 1HG2 ILE 19 2.984 -0.522 -3.653 147 HG22 ILE 19 2HG2 ILE 19 4.536 -1.147 -3.102 148 HG23 ILE 19 3HG2 ILE 19 3.914 0.367 -2.451 149 HD11 ILE 19 3HD1 ILE 19 1.588 -3.349 -0.411 150 HD12 ILE 19 1HD1 ILE 19 0.708 -4.001 -1.792 151 HD13 ILE 19 2HD1 ILE 19 0.411 -2.350 -1.263 152 H GLU 20 H GLU 20 3.916 0.317 0.811 153 HA GLU 20 HA GLU 20 5.984 1.843 -0.362 154 HB2 GLU 20 1HB GLU 20 4.183 2.472 1.419 155 HB3 GLU 20 2HB GLU 20 5.382 1.957 2.596 156 HG2 GLU 20 1HG GLU 20 6.934 3.630 1.909 157 HG3 GLU 20 2HG GLU 20 6.032 3.978 0.434 158 H ARG 21 H ARG 21 6.125 -0.367 2.414 159 HA ARG 21 HA ARG 21 8.922 0.040 2.934 160 HB2 ARG 21 1HB ARG 21 6.917 -2.083 3.698 161 HB3 ARG 21 2HB ARG 21 8.612 -2.236 4.146 162 HG2 ARG 21 1HG ARG 21 7.161 -1.138 5.906 163 HG3 ARG 21 2HG ARG 21 8.551 -0.178 5.402 164 HD2 ARG 21 1HD ARG 21 7.199 1.252 4.056 165 HD3 ARG 21 2HD ARG 21 5.825 0.150 4.135 166 HE ARG 21 HE ARG 21 5.257 1.097 6.216 167 HH11 ARG 21 1HH2 ARG 21 8.515 1.809 5.329 168 HH12 ARG 21 2HH2 ARG 21 8.764 2.918 6.637 169 HH21 ARG 21 1HH1 ARG 21 5.568 2.541 7.920 170 HH22 ARG 21 2HH1 ARG 21 7.098 3.332 8.101 171 H LEU 22 H LEU 22 7.163 -2.205 0.834 172 HA LEU 22 HA LEU 22 9.368 -3.965 0.297 173 HB2 LEU 22 1HB LEU 22 7.112 -3.288 -1.597 174 HB3 LEU 22 2HB LEU 22 8.073 -4.750 -1.561 175 HG LEU 22 HG LEU 22 6.030 -3.856 0.410 176 HD11 LEU 22 1HD1 LEU 22 5.091 -6.092 -0.073 177 HD12 LEU 22 2HD1 LEU 22 6.422 -6.372 -1.194 178 HD13 LEU 22 3HD1 LEU 22 5.240 -5.108 -1.528 179 HD21 LEU 22 3HD2 LEU 22 7.766 -4.632 1.848 180 HD22 LEU 22 1HD2 LEU 22 8.193 -5.932 0.735 181 HD23 LEU 22 2HD2 LEU 22 6.689 -6.014 1.651 182 H CYS 23 H CYS 23 7.978 -1.662 -2.043 183 HA CYS 23 HA CYS 23 10.084 -1.632 -3.848 184 HB2 CYS 23 1HB CYS 23 8.959 1.072 -3.367 185 HB3 CYS 23 2HB CYS 23 8.966 0.092 -4.830 186 HG CYS 23 HG CYS 23 6.633 -0.484 -4.337 187 H GLN 24 H GLN 24 9.774 0.649 -1.076 188 HA GLN 24 HA GLN 24 12.182 2.017 -1.376 189 HB2 GLN 24 1HB GLN 24 10.591 1.132 1.021 190 HB3 GLN 24 2HB GLN 24 12.152 1.900 1.270 191 HG2 GLN 24 1HG GLN 24 10.244 3.524 1.289 192 HG3 GLN 24 2HG GLN 24 11.443 3.875 0.044 193 HE21 GLN 24 2HE2 GLN 24 8.127 3.537 0.532 194 HE22 GLN 24 1HE2 GLN 24 7.657 3.236 -1.071 195 H HIS 25 H HIS 25 11.667 -1.308 -0.669 196 HA HIS 25 HA HIS 25 14.465 -1.722 0.232 197 HB2 HIS 25 1HB HIS 25 12.206 -2.870 1.120 198 HB3 HIS 25 2HB HIS 25 12.523 -3.981 -0.199 199 HD1 HIS 25 HD1 HIS 25 15.572 -4.184 -0.090 200 HD2 HIS 25 HD2 HIS 25 13.173 -4.260 3.321 201 HE1 HIS 25 HE1 HIS 25 16.933 -5.320 1.721 202 HE2 HIS 25 HE2 HIS 25 15.483 -5.372 3.800 203 H TYR 26 H TYR 26 12.262 -3.336 -2.044 204 HA TYR 26 HA TYR 26 14.146 -4.646 -3.620 205 HB2 TYR 26 1HB TYR 26 11.456 -3.460 -4.310 206 HB3 TYR 26 2HB TYR 26 12.398 -4.362 -5.493 207 HD1 TYR 26 HD2 TYR 26 13.091 -6.744 -4.966 208 HD2 TYR 26 HD1 TYR 26 10.232 -4.584 -2.595 209 HE1 TYR 26 HE2 TYR 26 12.283 -8.877 -3.993 210 HE2 TYR 26 HE1 TYR 26 9.426 -6.716 -1.625 211 HH TYR 26 HH TYR 26 10.654 -9.166 -1.295 212 H ILE 27 H ILE 27 12.670 -1.493 -4.640 213 HA ILE 27 HA ILE 27 14.913 -1.129 -6.491 214 HB ILE 27 HB ILE 27 12.629 -0.440 -7.153 215 HG12 ILE 27 1HG1 ILE 27 14.538 1.888 -6.923 216 HG13 ILE 27 2HG1 ILE 27 14.682 0.597 -8.103 217 HG21 ILE 27 1HG2 ILE 27 12.950 1.565 -4.929 218 HG22 ILE 27 2HG2 ILE 27 11.721 0.319 -5.073 219 HG23 ILE 27 3HG2 ILE 27 11.740 1.674 -6.192 220 HD11 ILE 27 3HD1 ILE 27 12.401 2.560 -7.838 221 HD12 ILE 27 1HD1 ILE 27 12.362 1.150 -8.896 222 HD13 ILE 27 2HD1 ILE 27 13.542 2.431 -9.178 223 H GLY 28 H GLY 28 13.868 0.190 -3.395 224 HA2 GLY 28 1HA GLY 28 15.768 0.921 -1.898 225 HA3 GLY 28 2HA GLY 28 16.407 1.797 -3.287 226 H TRP 29 H TRP 29 13.995 2.848 -4.292 227 HA TRP 29 HA TRP 29 13.082 4.677 -2.094 228 HB2 TRP 29 1HB TRP 29 13.059 6.490 -3.753 229 HB3 TRP 29 2HB TRP 29 14.669 5.779 -3.656 230 HD1 TRP 29 HD1 TRP 29 15.011 3.648 -5.507 231 HE1 TRP 29 HE1 TRP 29 14.372 3.655 -8.005 232 HE3 TRP 29 HE3 TRP 29 11.678 7.516 -5.565 233 HZ2 TRP 29 HZ2 TRP 29 12.706 5.109 -9.788 234 HZ3 TRP 29 HZ3 TRP 29 10.587 8.198 -7.686 235 HH2 TRP 29 HH2 TRP 29 11.095 6.997 -9.797 236 H CYS 30 H CYS 30 11.153 6.031 -3.649 237 HA CYS 30 HA CYS 30 9.092 3.924 -3.867 238 HB2 CYS 30 1HB CYS 30 7.617 6.014 -4.205 239 HB3 CYS 30 2HB CYS 30 8.363 5.798 -2.624 240 HG CYS 30 HG CYS 30 9.672 7.664 -4.769 241 HA PRO 31 HA PRO 31 9.919 4.362 -8.343 242 HB2 PRO 31 1HB PRO 31 8.587 2.102 -9.180 243 HB3 PRO 31 2HB PRO 31 10.250 2.106 -8.576 244 HG2 PRO 31 1HG PRO 31 7.774 1.208 -7.244 245 HG3 PRO 31 2HG PRO 31 9.449 0.691 -6.997 246 HD2 PRO 31 1HD PRO 31 7.991 2.460 -5.327 247 HD3 PRO 31 2HD PRO 31 9.737 2.187 -5.275 248 H PHE 32 H PHE 32 6.774 3.648 -6.894 249 HA PHE 32 HA PHE 32 5.272 4.618 -9.188 250 HB2 PHE 32 1HB PHE 32 4.519 3.773 -6.387 251 HB3 PHE 32 2HB PHE 32 3.339 4.403 -7.534 252 HD1 PHE 32 HD1 PHE 32 2.958 3.208 -9.717 253 HD2 PHE 32 HD2 PHE 32 5.383 1.555 -6.581 254 HE1 PHE 32 HE1 PHE 32 2.801 0.970 -10.775 255 HE2 PHE 32 HE2 PHE 32 5.225 -0.683 -7.638 256 HZ PHE 32 HZ PHE 32 3.934 -0.976 -9.734 257 H TRP 33 H TRP 33 5.168 5.676 -5.780 258 HA TRP 33 HA TRP 33 4.735 8.464 -6.717 259 HB2 TRP 33 1HB TRP 33 4.283 8.763 -4.174 260 HB3 TRP 33 2HB TRP 33 3.094 7.891 -5.134 261 HD1 TRP 33 HD1 TRP 33 5.738 7.401 -2.450 262 HE1 TRP 33 HE1 TRP 33 5.476 5.037 -1.445 263 HE3 TRP 33 HE3 TRP 33 2.309 5.435 -5.681 264 HZ2 TRP 33 HZ2 TRP 33 4.014 2.645 -1.940 265 HZ3 TRP 33 HZ3 TRP 33 1.500 3.112 -5.396 266 HH2 TRP 33 HH2 TRP 33 2.337 1.708 -3.525 Start of MODEL 7 1 H1 ASN 1 1H ASN 1 -24.548 -3.078 0.660 2 H2 ASN 1 2H ASN 1 -23.829 -4.526 1.183 3 H3 ASN 1 3H ASN 1 -23.129 -3.031 1.587 4 HA ASN 1 HA ASN 1 -25.846 -3.174 2.442 5 HB2 ASN 1 1HB ASN 1 -23.934 -5.089 3.794 6 HB3 ASN 1 2HB ASN 1 -25.672 -4.924 4.047 7 HD21 ASN 1 2HD2 ASN 1 -23.398 -6.846 2.499 8 HD22 ASN 1 1HD2 ASN 1 -24.391 -7.518 1.298 9 H GLU 2 H GLU 2 -24.654 -3.654 5.220 10 HA GLU 2 HA GLU 2 -24.207 -0.971 5.964 11 HB2 GLU 2 1HB GLU 2 -24.706 -2.870 7.535 12 HB3 GLU 2 2HB GLU 2 -23.042 -3.416 7.328 13 HG2 GLU 2 1HG GLU 2 -23.140 -2.074 9.339 14 HG3 GLU 2 2HG GLU 2 -22.277 -1.146 8.113 15 H LEU 3 H LEU 3 -21.811 -3.525 5.328 16 HA LEU 3 HA LEU 3 -19.432 -2.184 5.791 17 HB2 LEU 3 1HB LEU 3 -19.916 -3.812 3.289 18 HB3 LEU 3 2HB LEU 3 -18.387 -3.568 4.134 19 HG LEU 3 HG LEU 3 -20.765 -5.227 4.994 20 HD11 LEU 3 1HD1 LEU 3 -18.980 -6.918 5.312 21 HD12 LEU 3 2HD1 LEU 3 -17.787 -5.728 4.791 22 HD13 LEU 3 3HD1 LEU 3 -19.013 -6.301 3.660 23 HD21 LEU 3 3HD2 LEU 3 -20.265 -3.996 7.000 24 HD22 LEU 3 1HD2 LEU 3 -18.527 -4.122 6.720 25 HD23 LEU 3 2HD2 LEU 3 -19.456 -5.553 7.168 26 H ASP 4 H ASP 4 -18.017 -0.927 4.467 27 HA ASP 4 HA ASP 4 -19.379 1.042 2.836 28 HB2 ASP 4 1HB ASP 4 -16.518 0.531 3.559 29 HB3 ASP 4 2HB ASP 4 -16.960 1.793 2.430 30 H VAL 5 H VAL 5 -18.287 1.501 0.618 31 HA VAL 5 HA VAL 5 -18.367 -1.063 -0.866 32 HB VAL 5 HB VAL 5 -19.010 1.783 -1.462 33 HG11 VAL 5 1HG1 VAL 5 -19.052 1.232 -3.925 34 HG12 VAL 5 2HG1 VAL 5 -18.128 -0.224 -3.560 35 HG13 VAL 5 3HG1 VAL 5 -17.417 1.371 -3.260 36 HG21 VAL 5 3HG2 VAL 5 -20.292 -0.814 -2.319 37 HG22 VAL 5 1HG2 VAL 5 -21.020 0.796 -2.321 38 HG23 VAL 5 2HG2 VAL 5 -20.639 -0.003 -0.785 39 HA PRO 6 HA PRO 6 -14.231 0.528 -2.396 40 HB2 PRO 6 1HB PRO 6 -13.230 2.902 -1.760 41 HB3 PRO 6 2HB PRO 6 -14.613 2.809 -2.881 42 HG2 PRO 6 1HG PRO 6 -14.632 3.343 0.068 43 HG3 PRO 6 2HG PRO 6 -15.391 4.279 -1.241 44 HD2 PRO 6 1HD PRO 6 -16.775 2.409 0.189 45 HD3 PRO 6 2HD PRO 6 -17.108 2.771 -1.509 46 H GLU 7 H GLU 7 -15.159 -0.307 0.344 47 HA GLU 7 HA GLU 7 -13.385 0.309 2.372 48 HB2 GLU 7 1HB GLU 7 -15.419 -1.443 2.157 49 HB3 GLU 7 2HB GLU 7 -14.090 -2.593 2.005 50 HG2 GLU 7 1HG GLU 7 -13.119 -1.461 4.106 51 HG3 GLU 7 2HG GLU 7 -14.711 -0.735 4.293 52 H GLN 8 H GLN 8 -12.863 -1.872 -0.374 53 HA GLN 8 HA GLN 8 -10.478 -3.109 0.376 54 HB2 GLN 8 1HB GLN 8 -10.758 -1.853 -2.363 55 HB3 GLN 8 2HB GLN 8 -10.021 -3.398 -1.929 56 HG2 GLN 8 1HG GLN 8 -12.412 -4.050 -1.117 57 HG3 GLN 8 2HG GLN 8 -12.945 -2.682 -2.092 58 HE21 GLN 8 2HE2 GLN 8 -11.457 -5.892 -2.238 59 HE22 GLN 8 1HE2 GLN 8 -11.619 -6.085 -3.917 60 H VAL 9 H VAL 9 -10.995 0.161 -0.802 61 HA VAL 9 HA VAL 9 -8.380 1.141 -1.007 62 HB VAL 9 HB VAL 9 -10.838 2.520 0.111 63 HG11 VAL 9 1HG1 VAL 9 -9.604 4.568 -0.800 64 HG12 VAL 9 2HG1 VAL 9 -8.169 3.543 -0.834 65 HG13 VAL 9 3HG1 VAL 9 -8.995 3.856 0.697 66 HG21 VAL 9 3HG2 VAL 9 -11.016 3.402 -2.235 67 HG22 VAL 9 1HG2 VAL 9 -11.304 1.668 -2.089 68 HG23 VAL 9 2HG2 VAL 9 -9.757 2.258 -2.701 69 H ASP 10 H ASP 10 -10.489 1.802 1.756 70 HA ASP 10 HA ASP 10 -8.564 2.575 3.610 71 HB2 ASP 10 1HB ASP 10 -10.949 2.696 4.058 72 HB3 ASP 10 2HB ASP 10 -11.077 0.935 4.045 73 H LYS 11 H LYS 11 -9.430 -0.707 2.630 74 HA LYS 11 HA LYS 11 -7.716 -1.978 4.615 75 HB2 LYS 11 1HB LYS 11 -8.833 -3.033 2.004 76 HB3 LYS 11 2HB LYS 11 -8.014 -4.011 3.218 77 HG2 LYS 11 1HG LYS 11 -9.763 -3.292 4.870 78 HG3 LYS 11 2HG LYS 11 -10.622 -2.513 3.546 79 HD2 LYS 11 1HD LYS 11 -10.521 -4.790 2.351 80 HD3 LYS 11 2HD LYS 11 -10.057 -5.457 3.918 81 HE2 LYS 11 1HE LYS 11 -12.117 -4.425 4.904 82 HE3 LYS 11 2HE LYS 11 -12.596 -3.935 3.276 83 HZ1 LYS 11 3HZ LYS 11 -13.668 -5.963 3.644 84 HZ2 LYS 11 1HZ LYS 11 -12.304 -6.675 4.358 85 HZ3 LYS 11 2HZ LYS 11 -12.327 -6.371 2.686 86 H LEU 12 H LEU 12 -7.467 -1.087 1.193 87 HA LEU 12 HA LEU 12 -4.913 -2.145 0.638 88 HB2 LEU 12 1HB LEU 12 -6.316 0.296 -0.311 89 HB3 LEU 12 2HB LEU 12 -4.790 -0.203 -0.953 90 HG LEU 12 HG LEU 12 -7.424 -1.066 -1.703 91 HD11 LEU 12 1HD1 LEU 12 -5.622 -0.507 -3.226 92 HD12 LEU 12 2HD1 LEU 12 -6.156 -2.165 -3.520 93 HD13 LEU 12 3HD1 LEU 12 -4.669 -1.859 -2.608 94 HD21 LEU 12 3HD2 LEU 12 -7.282 -3.447 -1.711 95 HD22 LEU 12 1HD2 LEU 12 -6.987 -2.973 -0.048 96 HD23 LEU 12 2HD2 LEU 12 -5.640 -3.426 -1.087 97 H ILE 13 H ILE 13 -5.771 1.126 1.703 98 HA ILE 13 HA ILE 13 -3.346 2.284 2.182 99 HB ILE 13 HB ILE 13 -5.982 2.234 3.586 100 HG12 ILE 13 1HG1 ILE 13 -5.876 4.638 3.066 101 HG13 ILE 13 2HG1 ILE 13 -4.258 4.430 2.412 102 HG21 ILE 13 1HG2 ILE 13 -4.680 2.344 5.544 103 HG22 ILE 13 2HG2 ILE 13 -5.047 4.031 5.169 104 HG23 ILE 13 3HG2 ILE 13 -3.454 3.361 4.779 105 HD11 ILE 13 3HD1 ILE 13 -5.206 2.831 0.741 106 HD12 ILE 13 1HD1 ILE 13 -5.878 4.452 0.596 107 HD13 ILE 13 2HD1 ILE 13 -6.813 3.183 1.376 108 H GLN 14 H GLN 14 -4.944 -0.050 4.394 109 HA GLN 14 HA GLN 14 -2.930 -0.111 6.364 110 HB2 GLN 14 1HB GLN 14 -4.632 -2.444 5.448 111 HB3 GLN 14 2HB GLN 14 -3.831 -2.273 6.995 112 HG2 GLN 14 1HG GLN 14 -5.216 -0.421 7.623 113 HG3 GLN 14 2HG GLN 14 -5.895 -0.330 6.003 114 HE21 GLN 14 2HE2 GLN 14 -8.094 -0.762 6.700 115 HE22 GLN 14 1HE2 GLN 14 -8.561 -2.283 7.287 116 H GLN 15 H GLN 15 -3.335 -2.210 3.490 117 HA GLN 15 HA GLN 15 -0.739 -3.433 3.979 118 HB2 GLN 15 1HB GLN 15 -1.227 -4.891 2.249 119 HB3 GLN 15 2HB GLN 15 -2.852 -4.418 2.729 120 HG2 GLN 15 1HG GLN 15 -2.540 -2.546 0.904 121 HG3 GLN 15 2HG GLN 15 -1.269 -3.593 0.299 122 HE21 GLN 15 2HE2 GLN 15 -4.670 -3.955 1.470 123 HE22 GLN 15 1HE2 GLN 15 -5.123 -5.046 0.250 124 H ALA 16 H ALA 16 -1.820 -0.547 2.477 125 HA ALA 16 HA ALA 16 0.285 -0.278 0.507 126 HB1 ALA 16 3HB ALA 16 -1.014 2.002 2.023 127 HB2 ALA 16 1HB ALA 16 -1.853 1.136 0.737 128 HB3 ALA 16 2HB ALA 16 -0.366 2.016 0.383 129 H THR 17 H THR 17 0.029 0.481 3.978 130 HA THR 17 HA THR 17 2.452 1.923 4.238 131 HB THR 17 HB THR 17 0.706 0.282 6.033 132 HG1 THR 17 HG1 THR 17 1.547 2.901 5.692 133 HG21 THR 17 3HG2 THR 17 2.359 0.882 7.919 134 HG22 THR 17 1HG2 THR 17 3.559 1.038 6.637 135 HG23 THR 17 2HG2 THR 17 2.748 -0.503 6.901 136 H SER 18 H SER 18 1.816 -1.600 4.311 137 HA SER 18 HA SER 18 4.510 -2.374 4.845 138 HB2 SER 18 1HB SER 18 3.657 -4.514 3.506 139 HB3 SER 18 2HB SER 18 3.046 -4.156 5.115 140 HG SER 18 HG SER 18 1.318 -4.516 3.749 141 H ILE 19 H ILE 19 2.759 -1.997 1.723 142 HA ILE 19 HA ILE 19 4.750 -2.689 -0.059 143 HB ILE 19 HB ILE 19 2.510 -0.701 -0.019 144 HG12 ILE 19 1HG1 ILE 19 1.994 -2.016 -2.193 145 HG13 ILE 19 2HG1 ILE 19 3.261 -3.101 -1.668 146 HG21 ILE 19 1HG2 ILE 19 4.037 0.668 -1.165 147 HG22 ILE 19 2HG2 ILE 19 3.095 -0.110 -2.435 148 HG23 ILE 19 3HG2 ILE 19 4.721 -0.691 -2.057 149 HD11 ILE 19 3HD1 ILE 19 0.707 -2.452 -0.224 150 HD12 ILE 19 1HD1 ILE 19 2.046 -3.316 0.531 151 HD13 ILE 19 2HD1 ILE 19 1.217 -4.015 -0.857 152 H GLU 20 H GLU 20 4.421 0.347 1.770 153 HA GLU 20 HA GLU 20 6.493 1.838 0.587 154 HB2 GLU 20 1HB GLU 20 4.880 2.443 2.552 155 HB3 GLU 20 2HB GLU 20 6.127 1.759 3.588 156 HG2 GLU 20 1HG GLU 20 6.658 4.069 3.469 157 HG3 GLU 20 2HG GLU 20 7.771 3.300 2.337 158 H ARG 21 H ARG 21 6.673 -0.569 3.193 159 HA ARG 21 HA ARG 21 9.535 -0.437 3.467 160 HB2 ARG 21 1HB ARG 21 7.456 -2.497 4.251 161 HB3 ARG 21 2HB ARG 21 9.168 -2.734 4.566 162 HG2 ARG 21 1HG ARG 21 8.517 -1.749 6.572 163 HG3 ARG 21 2HG ARG 21 8.983 -0.314 5.670 164 HD2 ARG 21 1HD ARG 21 6.544 -0.133 4.942 165 HD3 ARG 21 2HD ARG 21 6.193 -1.387 6.129 166 HE ARG 21 HE ARG 21 6.813 1.395 6.719 167 HH11 ARG 21 1HH2 ARG 21 6.934 -1.883 7.772 168 HH12 ARG 21 2HH2 ARG 21 6.967 -1.482 9.457 169 HH21 ARG 21 1HH1 ARG 21 6.854 1.942 8.913 170 HH22 ARG 21 2HH1 ARG 21 6.922 0.686 10.103 171 H LEU 22 H LEU 22 7.342 -2.392 1.492 172 HA LEU 22 HA LEU 22 9.439 -4.135 0.476 173 HB2 LEU 22 1HB LEU 22 6.785 -3.535 -0.840 174 HB3 LEU 22 2HB LEU 22 7.774 -4.970 -1.014 175 HG LEU 22 HG LEU 22 6.166 -4.124 1.345 176 HD11 LEU 22 1HD1 LEU 22 5.266 -6.412 1.117 177 HD12 LEU 22 2HD1 LEU 22 6.344 -6.669 -0.255 178 HD13 LEU 22 3HD1 LEU 22 5.054 -5.473 -0.360 179 HD21 LEU 22 3HD2 LEU 22 7.184 -6.190 2.472 180 HD22 LEU 22 1HD2 LEU 22 8.227 -4.772 2.372 181 HD23 LEU 22 2HD2 LEU 22 8.441 -6.106 1.239 182 H CYS 23 H CYS 23 7.479 -1.640 -1.167 183 HA CYS 23 HA CYS 23 8.886 -1.391 -3.539 184 HB2 CYS 23 1HB CYS 23 7.361 0.513 -1.816 185 HB3 CYS 23 2HB CYS 23 8.319 1.213 -3.116 186 HG CYS 23 HG CYS 23 5.738 0.293 -3.737 187 H GLN 24 H GLN 24 9.649 0.485 -0.562 188 HA GLN 24 HA GLN 24 11.943 1.783 -1.474 189 HB2 GLN 24 1HB GLN 24 11.194 0.644 1.223 190 HB3 GLN 24 2HB GLN 24 12.708 1.502 0.981 191 HG2 GLN 24 1HG GLN 24 11.464 3.465 0.131 192 HG3 GLN 24 2HG GLN 24 9.948 2.609 0.411 193 HE21 GLN 24 2HE2 GLN 24 12.527 4.402 1.960 194 HE22 GLN 24 1HE2 GLN 24 11.879 4.359 3.529 195 H HIS 25 H HIS 25 11.420 -1.578 -0.910 196 HA HIS 25 HA HIS 25 14.324 -2.207 -0.929 197 HB2 HIS 25 1HB HIS 25 12.400 -3.330 0.528 198 HB3 HIS 25 2HB HIS 25 12.154 -4.300 -0.911 199 HD1 HIS 25 HD1 HIS 25 14.768 -5.097 -1.908 200 HD2 HIS 25 HD2 HIS 25 14.161 -4.641 2.194 201 HE1 HIS 25 HE1 HIS 25 16.592 -6.432 -0.758 202 HE2 HIS 25 HE2 HIS 25 16.231 -6.159 1.737 203 H TYR 26 H TYR 26 11.460 -3.538 -2.561 204 HA TYR 26 HA TYR 26 12.749 -4.787 -4.698 205 HB2 TYR 26 1HB TYR 26 10.021 -3.516 -4.468 206 HB3 TYR 26 2HB TYR 26 10.528 -4.345 -5.937 207 HD1 TYR 26 HD2 TYR 26 9.705 -4.741 -2.370 208 HD2 TYR 26 HD1 TYR 26 10.904 -6.759 -5.967 209 HE1 TYR 26 HE2 TYR 26 9.159 -6.923 -1.327 210 HE2 TYR 26 HE1 TYR 26 10.358 -8.942 -4.924 211 HH TYR 26 HH TYR 26 8.514 -9.511 -2.712 212 H ILE 27 H ILE 27 11.006 -1.669 -5.227 213 HA ILE 27 HA ILE 27 12.700 -1.192 -7.553 214 HB ILE 27 HB ILE 27 10.310 -0.520 -7.554 215 HG12 ILE 27 1HG1 ILE 27 12.187 1.827 -7.814 216 HG13 ILE 27 2HG1 ILE 27 12.058 0.543 -9.000 217 HG21 ILE 27 1HG2 ILE 27 9.849 0.233 -5.385 218 HG22 ILE 27 2HG2 ILE 27 9.850 1.704 -6.348 219 HG23 ILE 27 3HG2 ILE 27 11.235 1.306 -5.357 220 HD11 ILE 27 3HD1 ILE 27 9.929 2.520 -8.185 221 HD12 ILE 27 1HD1 ILE 27 9.570 1.064 -9.114 222 HD13 ILE 27 2HD1 ILE 27 10.641 2.294 -9.782 223 H GLY 28 H GLY 28 12.621 -0.099 -4.233 224 HA2 GLY 28 1HA GLY 28 14.817 0.665 -3.296 225 HA3 GLY 28 2HA GLY 28 15.038 1.605 -4.769 226 H TRP 29 H TRP 29 12.410 2.601 -5.015 227 HA TRP 29 HA TRP 29 12.051 4.295 -2.573 228 HB2 TRP 29 1HB TRP 29 11.734 6.236 -4.006 229 HB3 TRP 29 2HB TRP 29 13.267 5.480 -4.440 230 HD1 TRP 29 HD1 TRP 29 12.902 3.490 -6.458 231 HE1 TRP 29 HE1 TRP 29 11.587 3.754 -8.663 232 HE3 TRP 29 HE3 TRP 29 10.032 7.546 -5.294 233 HZ2 TRP 29 HZ2 TRP 29 9.623 5.469 -9.790 234 HZ3 TRP 29 HZ3 TRP 29 8.453 8.484 -6.963 235 HH2 TRP 29 HH2 TRP 29 8.244 7.444 -9.209 236 H CYS 30 H CYS 30 9.801 5.704 -3.517 237 HA CYS 30 HA CYS 30 7.783 3.536 -3.521 238 HB2 CYS 30 1HB CYS 30 6.242 5.640 -3.323 239 HB3 CYS 30 2HB CYS 30 7.234 5.181 -1.942 240 HG CYS 30 HG CYS 30 7.489 7.798 -2.638 241 HA PRO 31 HA PRO 31 7.580 4.435 -7.983 242 HB2 PRO 31 1HB PRO 31 5.919 2.400 -8.733 243 HB3 PRO 31 2HB PRO 31 7.645 2.174 -8.416 244 HG2 PRO 31 1HG PRO 31 5.315 1.498 -6.706 245 HG3 PRO 31 2HG PRO 31 6.869 0.665 -6.884 246 HD2 PRO 31 1HD PRO 31 6.206 2.363 -4.760 247 HD3 PRO 31 2HD PRO 31 7.859 1.930 -5.234 248 H PHE 32 H PHE 32 4.854 4.006 -5.828 249 HA PHE 32 HA PHE 32 2.919 5.189 -7.665 250 HB2 PHE 32 1HB PHE 32 2.851 4.154 -4.839 251 HB3 PHE 32 2HB PHE 32 1.502 5.089 -5.473 252 HD1 PHE 32 HD2 PHE 32 0.241 4.278 -7.473 253 HD2 PHE 32 HD1 PHE 32 3.257 1.897 -5.554 254 HE1 PHE 32 HE2 PHE 32 -0.617 2.260 -8.629 255 HE2 PHE 32 HE1 PHE 32 2.398 -0.122 -6.710 256 HZ PHE 32 HZ PHE 32 0.461 0.060 -8.248 257 H TRP 33 H TRP 33 3.766 6.105 -4.308 258 HA TRP 33 HA TRP 33 3.266 8.937 -5.002 259 HB2 TRP 33 1HB TRP 33 3.760 9.169 -2.459 260 HB3 TRP 33 2HB TRP 33 2.268 8.370 -2.946 261 HD1 TRP 33 HD1 TRP 33 5.638 7.717 -1.346 262 HE1 TRP 33 HE1 TRP 33 5.680 5.308 -0.419 263 HE3 TRP 33 HE3 TRP 33 1.281 5.941 -3.312 264 HZ2 TRP 33 HZ2 TRP 33 4.085 2.949 -0.507 265 HZ3 TRP 33 HZ3 TRP 33 0.566 3.610 -2.887 266 HH2 TRP 33 HH2 TRP 33 1.959 2.108 -1.482 Start of MODEL 8 1 H1 ASN 1 1H ASN 1 -22.238 3.794 8.861 2 H2 ASN 1 2H ASN 1 -22.150 2.529 9.993 3 H3 ASN 1 3H ASN 1 -23.069 3.918 10.334 4 HA ASN 1 HA ASN 1 -24.716 2.466 9.718 5 HB2 ASN 1 1HB ASN 1 -23.814 3.577 7.045 6 HB3 ASN 1 2HB ASN 1 -25.458 3.149 7.520 7 HD21 ASN 1 2HD2 ASN 1 -22.843 5.124 9.055 8 HD22 ASN 1 1HD2 ASN 1 -23.840 6.465 9.357 9 H GLU 2 H GLU 2 -24.881 1.466 6.882 10 HA GLU 2 HA GLU 2 -23.998 -1.200 7.334 11 HB2 GLU 2 1HB GLU 2 -25.214 0.324 5.140 12 HB3 GLU 2 2HB GLU 2 -24.083 -0.874 4.520 13 HG2 GLU 2 1HG GLU 2 -26.323 -1.468 6.479 14 HG3 GLU 2 2HG GLU 2 -26.395 -1.770 4.743 15 H LEU 3 H LEU 3 -22.519 -1.971 5.102 16 HA LEU 3 HA LEU 3 -19.850 -1.422 5.928 17 HB2 LEU 3 1HB LEU 3 -20.721 -2.283 3.162 18 HB3 LEU 3 2HB LEU 3 -19.138 -2.520 3.897 19 HG LEU 3 HG LEU 3 -21.747 -3.897 4.560 20 HD11 LEU 3 1HD1 LEU 3 -18.923 -4.833 3.993 21 HD12 LEU 3 2HD1 LEU 3 -20.290 -4.914 2.881 22 HD13 LEU 3 3HD1 LEU 3 -20.286 -5.897 4.346 23 HD21 LEU 3 3HD2 LEU 3 -20.954 -3.294 6.749 24 HD22 LEU 3 1HD2 LEU 3 -19.280 -3.642 6.309 25 HD23 LEU 3 2HD2 LEU 3 -20.440 -4.959 6.487 26 H ASP 4 H ASP 4 -18.189 -0.259 4.778 27 HA ASP 4 HA ASP 4 -19.101 2.299 3.752 28 HB2 ASP 4 1HB ASP 4 -16.423 1.036 4.200 29 HB3 ASP 4 2HB ASP 4 -16.563 2.563 3.347 30 H VAL 5 H VAL 5 -17.873 2.991 1.621 31 HA VAL 5 HA VAL 5 -18.590 0.921 -0.383 32 HB VAL 5 HB VAL 5 -18.585 3.899 -0.292 33 HG11 VAL 5 1HG1 VAL 5 -17.183 3.561 -2.260 34 HG12 VAL 5 2HG1 VAL 5 -18.823 3.945 -2.803 35 HG13 VAL 5 3HG1 VAL 5 -18.256 2.277 -2.835 36 HG21 VAL 5 3HG2 VAL 5 -20.791 3.611 -1.150 37 HG22 VAL 5 1HG2 VAL 5 -20.558 2.381 0.103 38 HG23 VAL 5 2HG2 VAL 5 -20.461 1.938 -1.608 39 HA PRO 6 HA PRO 6 -14.235 1.901 -1.826 40 HB2 PRO 6 1HB PRO 6 -12.739 3.841 -0.806 41 HB3 PRO 6 2HB PRO 6 -14.142 4.258 -1.820 42 HG2 PRO 6 1HG PRO 6 -13.946 4.178 1.169 43 HG3 PRO 6 2HG PRO 6 -14.553 5.481 0.123 44 HD2 PRO 6 1HD PRO 6 -16.215 3.637 1.290 45 HD3 PRO 6 2HD PRO 6 -16.552 4.425 -0.257 46 H GLU 7 H GLU 7 -15.175 0.730 0.808 47 HA GLU 7 HA GLU 7 -13.223 0.571 2.745 48 HB2 GLU 7 1HB GLU 7 -15.569 -0.725 2.327 49 HB3 GLU 7 2HB GLU 7 -14.464 -2.043 1.944 50 HG2 GLU 7 1HG GLU 7 -13.295 -1.543 4.141 51 HG3 GLU 7 2HG GLU 7 -14.635 -0.458 4.509 52 H GLN 8 H GLN 8 -13.148 -1.037 -0.426 53 HA GLN 8 HA GLN 8 -10.994 -2.794 0.047 54 HB2 GLN 8 1HB GLN 8 -11.124 -1.118 -2.470 55 HB3 GLN 8 2HB GLN 8 -10.625 -2.802 -2.293 56 HG2 GLN 8 1HG GLN 8 -13.058 -3.231 -1.509 57 HG3 GLN 8 2HG GLN 8 -13.412 -1.647 -2.201 58 HE21 GLN 8 2HE2 GLN 8 -12.559 -4.976 -2.973 59 HE22 GLN 8 1HE2 GLN 8 -12.731 -4.828 -4.655 60 H VAL 9 H VAL 9 -11.017 0.660 -0.616 61 HA VAL 9 HA VAL 9 -8.304 1.267 -0.813 62 HB VAL 9 HB VAL 9 -10.462 2.757 0.704 63 HG11 VAL 9 1HG1 VAL 9 -8.469 3.727 1.437 64 HG12 VAL 9 2HG1 VAL 9 -8.918 4.737 0.059 65 HG13 VAL 9 3HG1 VAL 9 -7.669 3.505 -0.122 66 HG21 VAL 9 3HG2 VAL 9 -11.118 2.424 -1.576 67 HG22 VAL 9 1HG2 VAL 9 -9.512 2.859 -2.163 68 HG23 VAL 9 2HG2 VAL 9 -10.546 4.089 -1.434 69 H ASP 10 H ASP 10 -10.123 1.704 2.189 70 HA ASP 10 HA ASP 10 -8.020 1.853 3.984 71 HB2 ASP 10 1HB ASP 10 -10.300 2.203 4.691 72 HB3 ASP 10 2HB ASP 10 -10.732 0.533 4.308 73 H LYS 11 H LYS 11 -9.433 -1.056 2.570 74 HA LYS 11 HA LYS 11 -7.789 -2.874 4.129 75 HB2 LYS 11 1HB LYS 11 -9.248 -3.288 1.507 76 HB3 LYS 11 2HB LYS 11 -8.508 -4.569 2.462 77 HG2 LYS 11 1HG LYS 11 -9.999 -4.051 4.338 78 HG3 LYS 11 2HG LYS 11 -10.724 -2.736 3.418 79 HD2 LYS 11 1HD LYS 11 -11.275 -4.509 1.636 80 HD3 LYS 11 2HD LYS 11 -10.884 -5.704 2.873 81 HE2 LYS 11 1HE LYS 11 -12.538 -4.490 4.386 82 HE3 LYS 11 2HE LYS 11 -13.051 -3.601 2.952 83 HZ1 LYS 11 3HZ LYS 11 -13.135 -6.539 3.352 84 HZ2 LYS 11 1HZ LYS 11 -13.465 -5.774 1.876 85 HZ3 LYS 11 2HZ LYS 11 -14.462 -5.486 3.221 86 H LEU 12 H LEU 12 -7.643 -1.440 0.899 87 HA LEU 12 HA LEU 12 -5.316 -2.714 -0.058 88 HB2 LEU 12 1HB LEU 12 -6.381 0.030 -0.478 89 HB3 LEU 12 2HB LEU 12 -5.027 -0.598 -1.349 90 HG LEU 12 HG LEU 12 -7.835 -0.925 -1.901 91 HD11 LEU 12 1HD1 LEU 12 -6.947 -1.849 -4.009 92 HD12 LEU 12 2HD1 LEU 12 -5.348 -1.919 -3.257 93 HD13 LEU 12 3HD1 LEU 12 -6.131 -0.358 -3.526 94 HD21 LEU 12 3HD2 LEU 12 -7.575 -3.123 -0.645 95 HD22 LEU 12 1HD2 LEU 12 -6.367 -3.572 -1.847 96 HD23 LEU 12 2HD2 LEU 12 -8.031 -3.279 -2.330 97 H ILE 13 H ILE 13 -5.664 0.352 1.653 98 HA ILE 13 HA ILE 13 -3.052 1.105 2.019 99 HB ILE 13 HB ILE 13 -5.570 1.250 3.616 100 HG12 ILE 13 1HG1 ILE 13 -5.091 3.669 3.413 101 HG13 ILE 13 2HG1 ILE 13 -3.605 3.296 2.557 102 HG21 ILE 13 1HG2 ILE 13 -4.140 0.906 5.461 103 HG22 ILE 13 2HG2 ILE 13 -4.269 2.664 5.327 104 HG23 ILE 13 3HG2 ILE 13 -2.827 1.833 4.723 105 HD11 ILE 13 3HD1 ILE 13 -6.424 2.644 1.687 106 HD12 ILE 13 1HD1 ILE 13 -4.979 2.108 0.836 107 HD13 ILE 13 2HD1 ILE 13 -5.350 3.825 0.951 108 H GLN 14 H GLN 14 -4.846 -1.315 3.954 109 HA GLN 14 HA GLN 14 -2.794 -1.852 5.808 110 HB2 GLN 14 1HB GLN 14 -4.958 -3.687 4.765 111 HB3 GLN 14 2HB GLN 14 -3.941 -4.017 6.155 112 HG2 GLN 14 1HG GLN 14 -4.738 -1.791 7.111 113 HG3 GLN 14 2HG GLN 14 -5.956 -1.815 5.844 114 HE21 GLN 14 2HE2 GLN 14 -7.794 -2.192 7.190 115 HE22 GLN 14 1HE2 GLN 14 -7.999 -3.623 8.080 116 H GLN 15 H GLN 15 -3.501 -3.536 2.714 117 HA GLN 15 HA GLN 15 -1.079 -5.152 3.104 118 HB2 GLN 15 1HB GLN 15 -1.551 -6.141 0.921 119 HB3 GLN 15 2HB GLN 15 -3.012 -6.122 1.901 120 HG2 GLN 15 1HG GLN 15 -3.745 -5.357 -0.198 121 HG3 GLN 15 2HG GLN 15 -3.527 -3.886 0.732 122 HE21 GLN 15 2HE2 GLN 15 -2.747 -2.363 -0.766 123 HE22 GLN 15 1HE2 GLN 15 -1.434 -2.632 -1.808 124 H ALA 16 H ALA 16 -1.736 -2.042 2.048 125 HA ALA 16 HA ALA 16 0.501 -1.871 0.126 126 HB1 ALA 16 3HB ALA 16 -0.958 0.489 1.330 127 HB2 ALA 16 1HB ALA 16 -1.733 -0.511 0.100 128 HB3 ALA 16 2HB ALA 16 -0.231 0.333 -0.272 129 H THR 17 H THR 17 -0.208 -1.002 3.506 130 HA THR 17 HA THR 17 1.937 0.670 4.092 131 HB THR 17 HB THR 17 0.376 -1.385 5.623 132 HG1 THR 17 HG1 THR 17 -0.385 0.399 6.587 133 HG21 THR 17 3HG2 THR 17 2.929 -0.077 6.529 134 HG22 THR 17 1HG2 THR 17 2.437 -1.762 6.678 135 HG23 THR 17 2HG2 THR 17 1.673 -0.532 7.682 136 H SER 18 H SER 18 1.879 -2.877 3.850 137 HA SER 18 HA SER 18 4.605 -3.286 4.624 138 HB2 SER 18 1HB SER 18 4.215 -5.408 3.076 139 HB3 SER 18 2HB SER 18 3.369 -5.266 4.612 140 HG SER 18 HG SER 18 2.430 -5.066 2.010 141 H ILE 19 H ILE 19 3.077 -2.991 1.399 142 HA ILE 19 HA ILE 19 5.360 -3.167 -0.190 143 HB ILE 19 HB ILE 19 2.710 -1.778 -0.398 144 HG12 ILE 19 1HG1 ILE 19 2.771 -3.219 -2.596 145 HG13 ILE 19 2HG1 ILE 19 4.118 -4.025 -1.822 146 HG21 ILE 19 1HG2 ILE 19 3.359 -1.110 -2.765 147 HG22 ILE 19 2HG2 ILE 19 5.034 -1.313 -2.242 148 HG23 ILE 19 3HG2 ILE 19 3.999 -0.125 -1.454 149 HD11 ILE 19 3HD1 ILE 19 2.286 -5.315 -1.157 150 HD12 ILE 19 1HD1 ILE 19 1.257 -3.900 -0.948 151 HD13 ILE 19 2HD1 ILE 19 2.534 -4.246 0.219 152 H GLU 20 H GLU 20 4.021 -0.340 1.517 153 HA GLU 20 HA GLU 20 5.711 1.662 0.567 154 HB2 GLU 20 1HB GLU 20 3.800 1.625 2.412 155 HB3 GLU 20 2HB GLU 20 5.158 1.517 3.518 156 HG2 GLU 20 1HG GLU 20 4.661 3.860 3.242 157 HG3 GLU 20 2HG GLU 20 6.147 3.542 2.347 158 H ARG 21 H ARG 21 6.369 -0.846 2.952 159 HA ARG 21 HA ARG 21 9.054 0.176 3.537 160 HB2 ARG 21 1HB ARG 21 7.450 -2.247 4.364 161 HB3 ARG 21 2HB ARG 21 9.176 -2.190 4.684 162 HG2 ARG 21 1HG ARG 21 8.294 -1.304 6.661 163 HG3 ARG 21 2HG ARG 21 8.644 0.160 5.753 164 HD2 ARG 21 1HD ARG 21 6.195 -0.080 4.884 165 HD3 ARG 21 2HD ARG 21 5.986 -1.160 6.259 166 HE ARG 21 HE ARG 21 6.134 0.717 7.699 167 HH11 ARG 21 1HH2 ARG 21 7.119 1.427 4.472 168 HH12 ARG 21 2HH2 ARG 21 7.207 3.136 4.732 169 HH21 ARG 21 1HH1 ARG 21 6.241 2.947 8.058 170 HH22 ARG 21 2HH1 ARG 21 6.709 3.997 6.763 171 H LEU 22 H LEU 22 7.616 -2.397 1.553 172 HA LEU 22 HA LEU 22 10.120 -3.620 0.821 173 HB2 LEU 22 1HB LEU 22 7.588 -3.563 -0.838 174 HB3 LEU 22 2HB LEU 22 8.877 -4.743 -0.906 175 HG LEU 22 HG LEU 22 6.789 -4.395 1.182 176 HD11 LEU 22 1HD1 LEU 22 7.939 -6.791 -0.231 177 HD12 LEU 22 2HD1 LEU 22 6.418 -5.994 -0.633 178 HD13 LEU 22 3HD1 LEU 22 6.594 -6.831 0.909 179 HD21 LEU 22 3HD2 LEU 22 8.778 -4.440 2.545 180 HD22 LEU 22 1HD2 LEU 22 9.476 -5.725 1.559 181 HD23 LEU 22 2HD2 LEU 22 8.084 -6.057 2.586 182 H CYS 23 H CYS 23 8.024 -1.361 -1.014 183 HA CYS 23 HA CYS 23 9.601 -0.945 -3.257 184 HB2 CYS 23 1HB CYS 23 8.770 1.444 -3.194 185 HB3 CYS 23 2HB CYS 23 7.508 0.219 -3.070 186 HG CYS 23 HG CYS 23 7.177 0.788 -0.618 187 H GLN 24 H GLN 24 9.916 0.907 -0.198 188 HA GLN 24 HA GLN 24 12.127 2.472 -0.842 189 HB2 GLN 24 1HB GLN 24 11.235 1.132 1.710 190 HB3 GLN 24 2HB GLN 24 12.712 2.084 1.677 191 HG2 GLN 24 1HG GLN 24 11.559 4.075 1.097 192 HG3 GLN 24 2HG GLN 24 10.106 3.189 0.629 193 HE21 GLN 24 2HE2 GLN 24 9.222 4.909 2.304 194 HE22 GLN 24 1HE2 GLN 24 9.161 4.398 3.921 195 H HIS 25 H HIS 25 11.944 -0.958 -0.294 196 HA HIS 25 HA HIS 25 14.904 -1.237 -0.271 197 HB2 HIS 25 1HB HIS 25 13.062 -2.546 1.177 198 HB3 HIS 25 2HB HIS 25 13.026 -3.589 -0.232 199 HD1 HIS 25 HD1 HIS 25 15.924 -1.887 1.602 200 HD2 HIS 25 HD2 HIS 25 14.754 -5.675 0.303 201 HE1 HIS 25 HE1 HIS 25 17.821 -3.464 2.186 202 HE2 HIS 25 HE2 HIS 25 17.118 -5.771 1.399 203 H TYR 26 H TYR 26 12.162 -2.779 -1.928 204 HA TYR 26 HA TYR 26 13.557 -4.004 -4.014 205 HB2 TYR 26 1HB TYR 26 10.757 -2.934 -3.761 206 HB3 TYR 26 2HB TYR 26 11.296 -3.599 -5.299 207 HD1 TYR 26 HD2 TYR 26 11.074 -4.395 -1.650 208 HD2 TYR 26 HD1 TYR 26 11.328 -5.937 -5.652 209 HE1 TYR 26 HE2 TYR 26 10.698 -6.689 -0.789 210 HE2 TYR 26 HE1 TYR 26 10.955 -8.232 -4.789 211 HH TYR 26 HH TYR 26 9.649 -9.052 -2.254 212 H ILE 27 H ILE 27 11.695 -0.959 -4.630 213 HA ILE 27 HA ILE 27 13.575 -0.416 -6.851 214 HB ILE 27 HB ILE 27 11.082 -0.257 -7.157 215 HG12 ILE 27 1HG1 ILE 27 12.561 2.337 -7.577 216 HG13 ILE 27 2HG1 ILE 27 12.758 0.920 -8.592 217 HG21 ILE 27 1HG2 ILE 27 10.739 0.778 -4.883 218 HG22 ILE 27 2HG2 ILE 27 9.871 1.531 -6.220 219 HG23 ILE 27 3HG2 ILE 27 11.325 2.273 -5.589 220 HD11 ILE 27 3HD1 ILE 27 10.217 2.497 -8.156 221 HD12 ILE 27 1HD1 ILE 27 10.280 0.954 -9.008 222 HD13 ILE 27 2HD1 ILE 27 11.134 2.354 -9.657 223 H GLY 28 H GLY 28 12.476 1.096 -3.820 224 HA2 GLY 28 1HA GLY 28 14.331 2.259 -2.544 225 HA3 GLY 28 2HA GLY 28 14.760 3.038 -4.062 226 H TRP 29 H TRP 29 12.213 3.634 -5.015 227 HA TRP 29 HA TRP 29 11.190 5.608 -2.993 228 HB2 TRP 29 1HB TRP 29 10.701 7.106 -4.869 229 HB3 TRP 29 2HB TRP 29 12.404 6.645 -4.914 230 HD1 TRP 29 HD1 TRP 29 12.857 4.340 -6.491 231 HE1 TRP 29 HE1 TRP 29 11.902 3.844 -8.833 232 HE3 TRP 29 HE3 TRP 29 8.928 7.597 -6.560 233 HZ2 TRP 29 HZ2 TRP 29 9.796 4.726 -10.522 234 HZ3 TRP 29 HZ3 TRP 29 7.470 7.758 -8.560 235 HH2 TRP 29 HH2 TRP 29 7.897 6.324 -10.540 236 H CYS 30 H CYS 30 8.869 6.376 -4.298 237 HA CYS 30 HA CYS 30 7.225 3.954 -3.992 238 HB2 CYS 30 1HB CYS 30 5.363 5.690 -4.397 239 HB3 CYS 30 2HB CYS 30 6.320 5.860 -2.928 240 HG CYS 30 HG CYS 30 6.543 7.697 -5.428 241 HA PRO 31 HA PRO 31 7.391 3.790 -8.555 242 HB2 PRO 31 1HB PRO 31 6.411 1.247 -8.882 243 HB3 PRO 31 2HB PRO 31 8.098 1.605 -8.488 244 HG2 PRO 31 1HG PRO 31 5.950 0.564 -6.749 245 HG3 PRO 31 2HG PRO 31 7.704 0.345 -6.640 246 HD2 PRO 31 1HD PRO 31 6.149 2.128 -5.074 247 HD3 PRO 31 2HD PRO 31 7.912 2.112 -5.202 248 H PHE 32 H PHE 32 4.615 2.874 -6.570 249 HA PHE 32 HA PHE 32 2.716 3.257 -8.762 250 HB2 PHE 32 1HB PHE 32 2.462 2.529 -5.843 251 HB3 PHE 32 2HB PHE 32 1.057 2.863 -6.845 252 HD1 PHE 32 HD1 PHE 32 0.572 1.452 -8.847 253 HD2 PHE 32 HD2 PHE 32 3.704 0.484 -6.073 254 HE1 PHE 32 HE1 PHE 32 0.657 -0.856 -9.751 255 HE2 PHE 32 HE2 PHE 32 3.791 -1.824 -6.976 256 HZ PHE 32 HZ PHE 32 2.268 -2.495 -8.815 257 H TRP 33 H TRP 33 2.669 4.577 -5.446 258 HA TRP 33 HA TRP 33 1.628 7.134 -6.534 259 HB2 TRP 33 1HB TRP 33 1.391 7.599 -3.987 260 HB3 TRP 33 2HB TRP 33 0.319 6.408 -4.714 261 HD1 TRP 33 HD1 TRP 33 3.256 6.757 -2.336 262 HE1 TRP 33 HE1 TRP 33 3.639 4.501 -1.139 263 HE3 TRP 33 HE3 TRP 33 0.046 3.802 -4.979 264 HZ2 TRP 33 HZ2 TRP 33 2.712 1.813 -1.291 265 HZ3 TRP 33 HZ3 TRP 33 -0.182 1.394 -4.441 266 HH2 TRP 33 HH2 TRP 33 1.145 0.394 -2.598 Start of MODEL 9 1 H1 ASN 1 1H ASN 1 -24.768 2.812 1.632 2 H2 ASN 1 2H ASN 1 -25.953 3.561 2.592 3 H3 ASN 1 3H ASN 1 -26.305 3.126 0.988 4 HA ASN 1 HA ASN 1 -27.332 1.500 2.327 5 HB2 ASN 1 1HB ASN 1 -24.676 0.290 1.532 6 HB3 ASN 1 2HB ASN 1 -26.260 -0.487 1.552 7 HD21 ASN 1 2HD2 ASN 1 -24.397 2.087 -0.121 8 HD22 ASN 1 1HD2 ASN 1 -25.293 2.013 -1.560 9 H GLU 2 H GLU 2 -26.075 -0.689 3.579 10 HA GLU 2 HA GLU 2 -25.659 0.400 6.228 11 HB2 GLU 2 1HB GLU 2 -25.001 -2.423 5.378 12 HB3 GLU 2 2HB GLU 2 -25.526 -1.855 6.963 13 HG2 GLU 2 1HG GLU 2 -27.184 -1.916 4.426 14 HG3 GLU 2 2HG GLU 2 -27.404 -2.935 5.848 15 H LEU 3 H LEU 3 -23.461 -1.883 4.605 16 HA LEU 3 HA LEU 3 -21.158 -0.897 6.000 17 HB2 LEU 3 1HB LEU 3 -21.174 -2.395 3.374 18 HB3 LEU 3 2HB LEU 3 -19.858 -2.304 4.541 19 HG LEU 3 HG LEU 3 -22.463 -3.818 4.741 20 HD11 LEU 3 1HD1 LEU 3 -19.556 -4.499 5.261 21 HD12 LEU 3 2HD1 LEU 3 -20.485 -4.950 3.832 22 HD13 LEU 3 3HD1 LEU 3 -20.905 -5.629 5.405 23 HD21 LEU 3 3HD2 LEU 3 -20.667 -2.934 7.023 24 HD22 LEU 3 1HD2 LEU 3 -21.784 -4.292 7.150 25 HD23 LEU 3 2HD2 LEU 3 -22.404 -2.667 6.861 26 H ASP 4 H ASP 4 -19.227 0.009 4.862 27 HA ASP 4 HA ASP 4 -19.967 2.324 3.290 28 HB2 ASP 4 1HB ASP 4 -17.406 1.151 4.292 29 HB3 ASP 4 2HB ASP 4 -17.339 2.389 3.051 30 H VAL 5 H VAL 5 -18.409 2.557 1.197 31 HA VAL 5 HA VAL 5 -19.034 0.153 -0.446 32 HB VAL 5 HB VAL 5 -19.032 3.093 -0.933 33 HG11 VAL 5 1HG1 VAL 5 -19.116 2.628 -3.414 34 HG12 VAL 5 2HG1 VAL 5 -18.547 0.996 -3.071 35 HG13 VAL 5 3HG1 VAL 5 -17.517 2.385 -2.703 36 HG21 VAL 5 3HG2 VAL 5 -21.036 1.689 -0.368 37 HG22 VAL 5 1HG2 VAL 5 -20.828 0.882 -1.928 38 HG23 VAL 5 2HG2 VAL 5 -21.176 2.612 -1.873 39 HA PRO 6 HA PRO 6 -14.597 0.870 -1.738 40 HB2 PRO 6 1HB PRO 6 -13.191 3.034 -1.144 41 HB3 PRO 6 2HB PRO 6 -14.574 3.181 -2.254 42 HG2 PRO 6 1HG PRO 6 -14.477 3.723 0.690 43 HG3 PRO 6 2HG PRO 6 -15.043 4.787 -0.618 44 HD2 PRO 6 1HD PRO 6 -16.761 3.202 0.822 45 HD3 PRO 6 2HD PRO 6 -17.024 3.646 -0.870 46 H GLU 7 H GLU 7 -15.583 0.143 0.990 47 HA GLU 7 HA GLU 7 -13.653 0.631 2.978 48 HB2 GLU 7 1HB GLU 7 -15.978 -0.929 2.764 49 HB3 GLU 7 2HB GLU 7 -14.728 -2.129 3.082 50 HG2 GLU 7 1HG GLU 7 -14.011 -0.857 5.069 51 HG3 GLU 7 2HG GLU 7 -15.239 0.364 4.733 52 H GLN 8 H GLN 8 -13.614 -1.819 0.391 53 HA GLN 8 HA GLN 8 -11.394 -3.319 1.242 54 HB2 GLN 8 1HB GLN 8 -11.653 -2.432 -1.635 55 HB3 GLN 8 2HB GLN 8 -11.127 -3.995 -1.004 56 HG2 GLN 8 1HG GLN 8 -13.520 -4.186 -0.028 57 HG3 GLN 8 2HG GLN 8 -13.925 -2.867 -1.128 58 HE21 GLN 8 2HE2 GLN 8 -12.889 -6.258 -0.989 59 HE22 GLN 8 1HE2 GLN 8 -13.208 -6.603 -2.622 60 H VAL 9 H VAL 9 -11.458 -0.229 -0.485 61 HA VAL 9 HA VAL 9 -8.784 0.317 -0.927 62 HB VAL 9 HB VAL 9 -10.808 2.210 0.288 63 HG11 VAL 9 1HG1 VAL 9 -8.803 3.346 0.439 64 HG12 VAL 9 2HG1 VAL 9 -9.396 3.855 -1.145 65 HG13 VAL 9 3HG1 VAL 9 -8.149 2.611 -1.031 66 HG21 VAL 9 3HG2 VAL 9 -11.135 2.833 -2.166 67 HG22 VAL 9 1HG2 VAL 9 -11.805 1.282 -1.650 68 HG23 VAL 9 2HG2 VAL 9 -10.285 1.336 -2.550 69 H ASP 10 H ASP 10 -10.450 1.570 1.917 70 HA ASP 10 HA ASP 10 -8.303 2.233 3.518 71 HB2 ASP 10 1HB ASP 10 -10.563 2.727 4.155 72 HB3 ASP 10 2HB ASP 10 -10.984 1.013 4.237 73 H LYS 11 H LYS 11 -9.530 -0.990 2.840 74 HA LYS 11 HA LYS 11 -7.772 -2.229 4.845 75 HB2 LYS 11 1HB LYS 11 -9.399 -3.502 2.625 76 HB3 LYS 11 2HB LYS 11 -8.601 -4.359 3.939 77 HG2 LYS 11 1HG LYS 11 -10.022 -3.210 5.572 78 HG3 LYS 11 2HG LYS 11 -10.783 -2.294 4.277 79 HD2 LYS 11 1HD LYS 11 -11.459 -4.512 3.247 80 HD3 LYS 11 2HD LYS 11 -10.903 -5.284 4.731 81 HE2 LYS 11 1HE LYS 11 -12.898 -3.024 4.789 82 HE3 LYS 11 2HE LYS 11 -13.404 -4.696 4.580 83 HZ1 LYS 11 3HZ LYS 11 -12.513 -5.291 6.649 84 HZ2 LYS 11 1HZ LYS 11 -13.332 -3.832 6.931 85 HZ3 LYS 11 2HZ LYS 11 -11.638 -3.842 6.795 86 H LEU 12 H LEU 12 -7.908 -1.698 1.356 87 HA LEU 12 HA LEU 12 -5.619 -3.201 0.619 88 HB2 LEU 12 1HB LEU 12 -6.775 -0.685 -0.454 89 HB3 LEU 12 2HB LEU 12 -5.461 -1.512 -1.209 90 HG LEU 12 HG LEU 12 -8.291 -2.005 -1.463 91 HD11 LEU 12 1HD1 LEU 12 -5.867 -3.290 -2.686 92 HD12 LEU 12 2HD1 LEU 12 -6.703 -1.859 -3.295 93 HD13 LEU 12 3HD1 LEU 12 -7.510 -3.430 -3.320 94 HD21 LEU 12 3HD2 LEU 12 -6.729 -4.516 -0.818 95 HD22 LEU 12 1HD2 LEU 12 -8.428 -4.397 -1.252 96 HD23 LEU 12 2HD2 LEU 12 -7.884 -3.789 0.301 97 H ILE 13 H ILE 13 -5.955 0.224 1.434 98 HA ILE 13 HA ILE 13 -3.378 1.133 1.446 99 HB ILE 13 HB ILE 13 -5.788 1.544 3.160 100 HG12 ILE 13 1HG1 ILE 13 -5.485 3.856 2.361 101 HG13 ILE 13 2HG1 ILE 13 -4.017 3.374 1.527 102 HG21 ILE 13 1HG2 ILE 13 -3.026 2.499 3.900 103 HG22 ILE 13 2HG2 ILE 13 -4.224 1.697 4.921 104 HG23 ILE 13 3HG2 ILE 13 -4.482 3.367 4.406 105 HD11 ILE 13 3HD1 ILE 13 -5.911 3.419 -0.025 106 HD12 ILE 13 1HD1 ILE 13 -6.804 2.322 1.019 107 HD13 ILE 13 2HD1 ILE 13 -5.351 1.764 0.191 108 H GLN 14 H GLN 14 -4.886 -0.864 3.992 109 HA GLN 14 HA GLN 14 -2.668 -0.903 5.747 110 HB2 GLN 14 1HB GLN 14 -4.738 -3.067 5.322 111 HB3 GLN 14 2HB GLN 14 -3.694 -2.884 6.716 112 HG2 GLN 14 1HG GLN 14 -4.716 -0.814 7.343 113 HG3 GLN 14 2HG GLN 14 -5.608 -0.743 5.827 114 HE21 GLN 14 2HE2 GLN 14 -7.503 -0.598 7.495 115 HE22 GLN 14 1HE2 GLN 14 -8.169 -2.070 8.015 116 H GLN 15 H GLN 15 -3.590 -3.269 3.193 117 HA GLN 15 HA GLN 15 -1.083 -4.702 3.651 118 HB2 GLN 15 1HB GLN 15 -1.684 -6.183 1.884 119 HB3 GLN 15 2HB GLN 15 -3.172 -5.819 2.746 120 HG2 GLN 15 1HG GLN 15 -3.777 -5.628 0.482 121 HG3 GLN 15 2HG GLN 15 -3.502 -3.974 0.980 122 HE21 GLN 15 2HE2 GLN 15 -2.876 -3.202 -1.124 123 HE22 GLN 15 1HE2 GLN 15 -1.433 -3.698 -1.872 124 H ALA 16 H ALA 16 -1.831 -1.822 2.161 125 HA ALA 16 HA ALA 16 0.265 -1.982 0.067 126 HB1 ALA 16 3HB ALA 16 -1.952 -0.641 -0.097 127 HB2 ALA 16 1HB ALA 16 -0.473 0.179 -0.593 128 HB3 ALA 16 2HB ALA 16 -1.182 0.519 0.987 129 H THR 17 H THR 17 -0.280 -0.496 3.273 130 HA THR 17 HA THR 17 1.976 1.130 3.448 131 HB THR 17 HB THR 17 0.688 -0.649 5.540 132 HG1 THR 17 HG1 THR 17 0.111 1.789 6.007 133 HG21 THR 17 3HG2 THR 17 1.731 1.047 7.104 134 HG22 THR 17 1HG2 THR 17 2.713 1.568 5.738 135 HG23 THR 17 2HG2 THR 17 2.849 -0.081 6.340 136 H SER 18 H SER 18 1.675 -2.378 3.696 137 HA SER 18 HA SER 18 4.359 -2.882 4.586 138 HB2 SER 18 1HB SER 18 3.829 -5.166 3.393 139 HB3 SER 18 2HB SER 18 2.924 -4.721 4.834 140 HG SER 18 HG SER 18 2.154 -4.724 2.139 141 H ILE 19 H ILE 19 2.821 -2.915 1.359 142 HA ILE 19 HA ILE 19 5.061 -3.479 -0.204 143 HB ILE 19 HB ILE 19 2.485 -1.987 -0.566 144 HG12 ILE 19 1HG1 ILE 19 2.432 -3.694 -2.559 145 HG13 ILE 19 2HG1 ILE 19 3.763 -4.454 -1.713 146 HG21 ILE 19 1HG2 ILE 19 4.786 -1.859 -2.491 147 HG22 ILE 19 2HG2 ILE 19 3.820 -0.537 -1.835 148 HG23 ILE 19 3HG2 ILE 19 3.109 -1.647 -3.003 149 HD11 ILE 19 3HD1 ILE 19 0.947 -4.052 -0.766 150 HD12 ILE 19 1HD1 ILE 19 2.258 -4.376 0.368 151 HD13 ILE 19 2HD1 ILE 19 1.862 -5.555 -0.881 152 H GLU 20 H GLU 20 4.461 -0.747 1.778 153 HA GLU 20 HA GLU 20 5.968 1.213 0.291 154 HB2 GLU 20 1HB GLU 20 4.343 1.617 2.247 155 HB3 GLU 20 2HB GLU 20 5.681 1.158 3.300 156 HG2 GLU 20 1HG GLU 20 5.819 3.528 3.120 157 HG3 GLU 20 2HG GLU 20 7.071 2.908 2.043 158 H ARG 21 H ARG 21 6.866 -0.613 3.241 159 HA ARG 21 HA ARG 21 9.586 0.117 3.240 160 HB2 ARG 21 1HB ARG 21 8.496 -2.557 4.158 161 HB3 ARG 21 2HB ARG 21 9.958 -1.757 4.703 162 HG2 ARG 21 1HG ARG 21 8.515 -1.160 6.425 163 HG3 ARG 21 2HG ARG 21 8.322 0.218 5.349 164 HD2 ARG 21 1HD ARG 21 6.094 -0.218 5.222 165 HD3 ARG 21 2HD ARG 21 6.421 -1.813 4.554 166 HE ARG 21 HE ARG 21 5.788 -1.209 7.350 167 HH11 ARG 21 1HH2 ARG 21 7.169 -3.381 5.052 168 HH12 ARG 21 2HH2 ARG 21 6.995 -4.773 6.067 169 HH21 ARG 21 1HH1 ARG 21 5.556 -3.015 8.685 170 HH22 ARG 21 2HH1 ARG 21 6.081 -4.566 8.122 171 H LEU 22 H LEU 22 7.889 -2.334 1.368 172 HA LEU 22 HA LEU 22 10.284 -3.704 0.476 173 HB2 LEU 22 1HB LEU 22 7.643 -3.577 -0.986 174 HB3 LEU 22 2HB LEU 22 8.859 -4.833 -1.066 175 HG LEU 22 HG LEU 22 6.990 -4.219 1.169 176 HD11 LEU 22 1HD1 LEU 22 6.249 -5.800 -0.539 177 HD12 LEU 22 2HD1 LEU 22 6.533 -6.641 0.986 178 HD13 LEU 22 3HD1 LEU 22 7.724 -6.739 -0.311 179 HD21 LEU 22 3HD2 LEU 22 8.273 -6.020 2.452 180 HD22 LEU 22 1HD2 LEU 22 9.071 -4.453 2.337 181 HD23 LEU 22 2HD2 LEU 22 9.575 -5.778 1.288 182 H CYS 23 H CYS 23 8.028 -1.653 -1.398 183 HA CYS 23 HA CYS 23 9.654 -1.223 -3.623 184 HB2 CYS 23 1HB CYS 23 8.186 0.475 -4.194 185 HB3 CYS 23 2HB CYS 23 7.222 -0.390 -3.010 186 HG CYS 23 HG CYS 23 8.102 1.441 -1.219 187 H GLN 24 H GLN 24 9.644 0.676 -0.585 188 HA GLN 24 HA GLN 24 11.599 2.572 -1.270 189 HB2 GLN 24 1HB GLN 24 10.916 1.172 1.319 190 HB3 GLN 24 2HB GLN 24 12.198 2.373 1.244 191 HG2 GLN 24 1HG GLN 24 10.555 3.993 0.262 192 HG3 GLN 24 2HG GLN 24 9.288 2.795 0.527 193 HE21 GLN 24 2HE2 GLN 24 8.683 2.306 2.761 194 HE22 GLN 24 1HE2 GLN 24 9.147 3.321 4.040 195 H HIS 25 H HIS 25 11.881 -0.835 -0.570 196 HA HIS 25 HA HIS 25 14.850 -0.704 -0.518 197 HB2 HIS 25 1HB HIS 25 13.252 -2.188 0.994 198 HB3 HIS 25 2HB HIS 25 13.262 -3.269 -0.389 199 HD1 HIS 25 HD1 HIS 25 15.544 -4.358 -1.051 200 HD2 HIS 25 HD2 HIS 25 15.716 -2.043 2.415 201 HE1 HIS 25 HE1 HIS 25 17.749 -4.908 0.071 202 HE2 HIS 25 HE2 HIS 25 17.863 -3.504 2.181 203 H TYR 26 H TYR 26 12.450 -2.798 -2.100 204 HA TYR 26 HA TYR 26 13.942 -3.930 -4.103 205 HB2 TYR 26 1HB TYR 26 11.103 -2.961 -4.042 206 HB3 TYR 26 2HB TYR 26 11.745 -3.601 -5.547 207 HD1 TYR 26 HD2 TYR 26 10.986 -4.384 -2.005 208 HD2 TYR 26 HD1 TYR 26 12.227 -5.951 -5.809 209 HE1 TYR 26 HE2 TYR 26 10.628 -6.692 -1.172 210 HE2 TYR 26 HE1 TYR 26 11.868 -8.258 -4.974 211 HH TYR 26 HH TYR 26 10.154 -8.946 -2.153 212 H ILE 27 H ILE 27 12.027 -0.975 -4.928 213 HA ILE 27 HA ILE 27 13.898 -0.482 -7.120 214 HB ILE 27 HB ILE 27 11.486 -0.036 -7.417 215 HG12 ILE 27 1HG1 ILE 27 13.156 2.462 -7.566 216 HG13 ILE 27 2HG1 ILE 27 13.275 1.137 -8.706 217 HG21 ILE 27 1HG2 ILE 27 11.968 2.085 -5.333 218 HG22 ILE 27 2HG2 ILE 27 10.841 0.741 -5.253 219 HG23 ILE 27 3HG2 ILE 27 10.574 2.049 -6.396 220 HD11 ILE 27 3HD1 ILE 27 10.890 2.909 -8.199 221 HD12 ILE 27 1HD1 ILE 27 10.798 1.417 -9.134 222 HD13 ILE 27 2HD1 ILE 27 11.809 2.749 -9.694 223 H GLY 28 H GLY 28 13.275 0.863 -3.930 224 HA2 GLY 28 1HA GLY 28 15.303 1.829 -2.796 225 HA3 GLY 28 2HA GLY 28 15.637 2.683 -4.299 226 H TRP 29 H TRP 29 12.987 3.486 -4.913 227 HA TRP 29 HA TRP 29 12.338 5.360 -2.657 228 HB2 TRP 29 1HB TRP 29 11.853 7.070 -4.351 229 HB3 TRP 29 2HB TRP 29 13.513 6.501 -4.514 230 HD1 TRP 29 HD1 TRP 29 13.724 4.314 -6.310 231 HE1 TRP 29 HE1 TRP 29 12.670 4.136 -8.657 232 HE3 TRP 29 HE3 TRP 29 10.090 7.881 -5.933 233 HZ2 TRP 29 HZ2 TRP 29 10.600 5.348 -10.176 234 HZ3 TRP 29 HZ3 TRP 29 8.595 8.354 -7.855 235 HH2 TRP 29 HH2 TRP 29 8.843 7.087 -9.974 236 H CYS 30 H CYS 30 10.090 6.484 -4.035 237 HA CYS 30 HA CYS 30 8.171 4.250 -3.685 238 HB2 CYS 30 1HB CYS 30 6.531 6.272 -3.917 239 HB3 CYS 30 2HB CYS 30 7.488 6.115 -2.446 240 HG CYS 30 HG CYS 30 7.592 8.501 -4.116 241 HA PRO 31 HA PRO 31 8.159 4.412 -8.269 242 HB2 PRO 31 1HB PRO 31 7.026 1.959 -8.716 243 HB3 PRO 31 2HB PRO 31 8.739 2.189 -8.367 244 HG2 PRO 31 1HG PRO 31 6.588 1.190 -6.603 245 HG3 PRO 31 2HG PRO 31 8.320 0.816 -6.601 246 HD2 PRO 31 1HD PRO 31 7.020 2.586 -4.829 247 HD3 PRO 31 2HD PRO 31 8.767 2.483 -5.085 248 H PHE 32 H PHE 32 5.401 3.232 -6.364 249 HA PHE 32 HA PHE 32 3.459 3.954 -8.394 250 HB2 PHE 32 1HB PHE 32 3.208 3.028 -5.528 251 HB3 PHE 32 2HB PHE 32 1.834 3.296 -6.597 252 HD1 PHE 32 HD2 PHE 32 1.741 2.000 -8.805 253 HD2 PHE 32 HD1 PHE 32 4.441 1.008 -5.614 254 HE1 PHE 32 HE2 PHE 32 2.059 -0.260 -9.777 255 HE2 PHE 32 HE1 PHE 32 4.761 -1.251 -6.588 256 HZ PHE 32 HZ PHE 32 3.569 -1.884 -8.668 257 H TRP 33 H TRP 33 3.618 4.933 -4.966 258 HA TRP 33 HA TRP 33 2.600 7.625 -5.753 259 HB2 TRP 33 1HB TRP 33 2.274 7.761 -3.183 260 HB3 TRP 33 2HB TRP 33 1.201 6.705 -4.092 261 HD1 TRP 33 HD1 TRP 33 4.137 6.641 -1.664 262 HE1 TRP 33 HE1 TRP 33 4.393 4.248 -0.735 263 HE3 TRP 33 HE3 TRP 33 0.765 4.178 -4.603 264 HZ2 TRP 33 HZ2 TRP 33 3.317 1.649 -1.173 265 HZ3 TRP 33 HZ3 TRP 33 0.403 1.743 -4.330 266 HH2 TRP 33 HH2 TRP 33 1.671 0.470 -2.615 Start of MODEL 10 1 H1 ASN 1 1H ASN 1 -26.240 1.529 0.813 2 H2 ASN 1 2H ASN 1 -26.791 1.128 2.370 3 H3 ASN 1 3H ASN 1 -27.460 0.366 1.006 4 HA ASN 1 HA ASN 1 -26.001 -1.264 1.265 5 HB2 ASN 1 1HB ASN 1 -24.846 0.230 -0.445 6 HB3 ASN 1 2HB ASN 1 -23.850 0.831 0.880 7 HD21 ASN 1 2HD2 ASN 1 -22.127 -0.501 1.613 8 HD22 ASN 1 1HD2 ASN 1 -21.794 -2.037 0.972 9 H GLU 2 H GLU 2 -25.354 -2.301 3.084 10 HA GLU 2 HA GLU 2 -24.916 -0.871 5.544 11 HB2 GLU 2 1HB GLU 2 -23.876 -3.657 5.462 12 HB3 GLU 2 2HB GLU 2 -25.072 -2.938 6.536 13 HG2 GLU 2 1HG GLU 2 -26.329 -4.489 5.309 14 HG3 GLU 2 2HG GLU 2 -26.640 -2.981 4.456 15 H LEU 3 H LEU 3 -22.658 -3.147 4.023 16 HA LEU 3 HA LEU 3 -20.302 -2.256 5.255 17 HB2 LEU 3 1HB LEU 3 -20.491 -3.100 2.356 18 HB3 LEU 3 2HB LEU 3 -19.076 -3.197 3.400 19 HG LEU 3 HG LEU 3 -21.607 -4.850 3.513 20 HD11 LEU 3 1HD1 LEU 3 -19.940 -6.690 3.494 21 HD12 LEU 3 2HD1 LEU 3 -18.648 -5.489 3.435 22 HD13 LEU 3 3HD1 LEU 3 -19.778 -5.636 2.088 23 HD21 LEU 3 3HD2 LEU 3 -19.530 -4.415 5.679 24 HD22 LEU 3 1HD2 LEU 3 -20.529 -5.865 5.612 25 HD23 LEU 3 2HD2 LEU 3 -21.285 -4.287 5.821 26 H ASP 4 H ASP 4 -18.557 -0.895 4.409 27 HA ASP 4 HA ASP 4 -19.531 1.612 3.354 28 HB2 ASP 4 1HB ASP 4 -16.805 0.520 3.951 29 HB3 ASP 4 2HB ASP 4 -17.018 2.094 3.210 30 H VAL 5 H VAL 5 -18.168 2.467 1.345 31 HA VAL 5 HA VAL 5 -18.551 0.402 -0.759 32 HB VAL 5 HB VAL 5 -18.800 3.369 -0.616 33 HG11 VAL 5 1HG1 VAL 5 -17.238 3.186 -2.475 34 HG12 VAL 5 2HG1 VAL 5 -18.859 3.437 -3.140 35 HG13 VAL 5 3HG1 VAL 5 -18.148 1.824 -3.145 36 HG21 VAL 5 3HG2 VAL 5 -20.904 2.922 -1.647 37 HG22 VAL 5 1HG2 VAL 5 -20.670 1.696 -0.392 38 HG23 VAL 5 2HG2 VAL 5 -20.408 1.289 -2.095 39 HA PRO 6 HA PRO 6 -14.204 1.781 -1.845 40 HB2 PRO 6 1HB PRO 6 -12.971 3.830 -0.711 41 HB3 PRO 6 2HB PRO 6 -14.353 4.144 -1.789 42 HG2 PRO 6 1HG PRO 6 -14.315 3.959 1.203 43 HG3 PRO 6 2HG PRO 6 -14.958 5.262 0.175 44 HD2 PRO 6 1HD PRO 6 -16.553 3.263 1.147 45 HD3 PRO 6 2HD PRO 6 -16.830 4.064 -0.406 46 H GLU 7 H GLU 7 -15.207 0.484 0.723 47 HA GLU 7 HA GLU 7 -13.315 0.504 2.751 48 HB2 GLU 7 1HB GLU 7 -15.549 -0.997 2.226 49 HB3 GLU 7 2HB GLU 7 -14.303 -2.217 1.993 50 HG2 GLU 7 1HG GLU 7 -13.348 -1.494 4.240 51 HG3 GLU 7 2HG GLU 7 -14.817 -0.546 4.456 52 H GLN 8 H GLN 8 -13.046 -1.052 -0.420 53 HA GLN 8 HA GLN 8 -10.795 -2.684 0.010 54 HB2 GLN 8 1HB GLN 8 -11.046 -0.852 -2.381 55 HB3 GLN 8 2HB GLN 8 -10.283 -2.442 -2.306 56 HG2 GLN 8 1HG GLN 8 -13.227 -1.820 -2.035 57 HG3 GLN 8 2HG GLN 8 -12.437 -2.689 -3.341 58 HE21 GLN 8 2HE2 GLN 8 -13.122 -2.920 0.166 59 HE22 GLN 8 1HE2 GLN 8 -13.046 -4.615 0.225 60 H VAL 9 H VAL 9 -10.984 0.776 -0.613 61 HA VAL 9 HA VAL 9 -8.330 1.586 -0.634 62 HB VAL 9 HB VAL 9 -10.634 2.853 0.870 63 HG11 VAL 9 1HG1 VAL 9 -9.258 4.963 0.384 64 HG12 VAL 9 2HG1 VAL 9 -7.907 3.862 0.105 65 HG13 VAL 9 3HG1 VAL 9 -8.705 3.901 1.682 66 HG21 VAL 9 3HG2 VAL 9 -11.214 2.563 -1.438 67 HG22 VAL 9 1HG2 VAL 9 -9.631 3.137 -1.967 68 HG23 VAL 9 2HG2 VAL 9 -10.768 4.258 -1.218 69 H ASP 10 H ASP 10 -10.280 1.765 2.315 70 HA ASP 10 HA ASP 10 -8.239 1.983 4.187 71 HB2 ASP 10 1HB ASP 10 -10.572 2.147 4.815 72 HB3 ASP 10 2HB ASP 10 -10.854 0.457 4.386 73 H LYS 11 H LYS 11 -9.411 -0.953 2.607 74 HA LYS 11 HA LYS 11 -7.695 -2.714 4.160 75 HB2 LYS 11 1HB LYS 11 -9.048 -3.162 1.486 76 HB3 LYS 11 2HB LYS 11 -8.266 -4.410 2.449 77 HG2 LYS 11 1HG LYS 11 -9.853 -3.965 4.290 78 HG3 LYS 11 2HG LYS 11 -10.654 -2.751 3.301 79 HD2 LYS 11 1HD LYS 11 -10.966 -4.591 1.548 80 HD3 LYS 11 2HD LYS 11 -10.493 -5.728 2.814 81 HE2 LYS 11 1HE LYS 11 -12.322 -4.598 4.248 82 HE3 LYS 11 2HE LYS 11 -12.897 -3.915 2.726 83 HZ1 LYS 11 3HZ LYS 11 -12.545 -6.799 3.333 84 HZ2 LYS 11 1HZ LYS 11 -13.024 -6.174 1.830 85 HZ3 LYS 11 2HZ LYS 11 -14.024 -5.977 3.189 86 H LEU 12 H LEU 12 -7.553 -1.148 0.987 87 HA LEU 12 HA LEU 12 -5.142 -2.245 0.032 88 HB2 LEU 12 1HB LEU 12 -6.329 0.462 -0.273 89 HB3 LEU 12 2HB LEU 12 -4.922 -0.055 -1.137 90 HG LEU 12 HG LEU 12 -7.692 -0.477 -1.793 91 HD11 LEU 12 1HD1 LEU 12 -5.956 0.219 -3.338 92 HD12 LEU 12 2HD1 LEU 12 -6.704 -1.275 -3.909 93 HD13 LEU 12 3HD1 LEU 12 -5.127 -1.322 -3.110 94 HD21 LEU 12 3HD2 LEU 12 -6.123 -3.065 -1.792 95 HD22 LEU 12 1HD2 LEU 12 -7.778 -2.819 -2.327 96 HD23 LEU 12 2HD2 LEU 12 -7.391 -2.713 -0.620 97 H ILE 13 H ILE 13 -5.665 0.738 1.842 98 HA ILE 13 HA ILE 13 -3.125 1.601 2.365 99 HB ILE 13 HB ILE 13 -5.701 1.501 3.869 100 HG12 ILE 13 1HG1 ILE 13 -5.363 3.953 3.831 101 HG13 ILE 13 2HG1 ILE 13 -3.829 3.722 3.009 102 HG21 ILE 13 1HG2 ILE 13 -4.567 2.881 5.717 103 HG22 ILE 13 2HG2 ILE 13 -3.050 2.179 5.138 104 HG23 ILE 13 3HG2 ILE 13 -4.335 1.130 5.753 105 HD11 ILE 13 3HD1 ILE 13 -5.533 4.237 1.363 106 HD12 ILE 13 1HD1 ILE 13 -6.581 2.975 2.002 107 HD13 ILE 13 2HD1 ILE 13 -5.082 2.546 1.179 108 H GLN 14 H GLN 14 -4.842 -0.914 4.257 109 HA GLN 14 HA GLN 14 -2.812 -1.487 6.087 110 HB2 GLN 14 1HB GLN 14 -4.815 -3.374 4.837 111 HB3 GLN 14 2HB GLN 14 -3.842 -3.736 6.253 112 HG2 GLN 14 1HG GLN 14 -4.810 -1.611 7.295 113 HG3 GLN 14 2HG GLN 14 -5.970 -1.633 5.973 114 HE21 GLN 14 2HE2 GLN 14 -7.888 -2.423 6.811 115 HE22 GLN 14 1HE2 GLN 14 -8.026 -3.808 7.785 116 H GLN 15 H GLN 15 -3.337 -2.989 2.890 117 HA GLN 15 HA GLN 15 -0.843 -4.490 3.169 118 HB2 GLN 15 1HB GLN 15 -1.190 -4.980 0.694 119 HB3 GLN 15 2HB GLN 15 -2.458 -5.543 1.775 120 HG2 GLN 15 1HG GLN 15 -3.789 -3.550 1.257 121 HG3 GLN 15 2HG GLN 15 -2.532 -2.994 0.150 122 HE21 GLN 15 2HE2 GLN 15 -3.892 -3.205 -1.762 123 HE22 GLN 15 1HE2 GLN 15 -4.370 -4.722 -2.353 124 H ALA 16 H ALA 16 -1.876 -1.435 1.848 125 HA ALA 16 HA ALA 16 0.407 -0.862 0.229 126 HB1 ALA 16 3HB ALA 16 -0.465 1.289 0.104 127 HB2 ALA 16 1HB ALA 16 -0.897 1.331 1.816 128 HB3 ALA 16 2HB ALA 16 -1.896 0.431 0.676 129 H THR 17 H THR 17 -0.224 -0.480 3.708 130 HA THR 17 HA THR 17 2.047 0.986 4.453 131 HB THR 17 HB THR 17 0.233 -0.999 5.755 132 HG1 THR 17 HG1 THR 17 0.749 1.093 7.235 133 HG21 THR 17 3HG2 THR 17 2.218 -1.829 6.722 134 HG22 THR 17 1HG2 THR 17 1.602 -0.674 7.901 135 HG23 THR 17 2HG2 THR 17 2.935 -0.225 6.839 136 H SER 18 H SER 18 1.685 -2.545 4.023 137 HA SER 18 HA SER 18 4.380 -3.200 4.701 138 HB2 SER 18 1HB SER 18 3.838 -5.346 4.015 139 HB3 SER 18 2HB SER 18 2.219 -4.691 4.221 140 HG SER 18 HG SER 18 2.601 -5.749 2.175 141 H ILE 19 H ILE 19 2.843 -2.542 1.526 142 HA ILE 19 HA ILE 19 5.074 -2.882 -0.121 143 HB ILE 19 HB ILE 19 2.624 -1.147 -0.164 144 HG12 ILE 19 1HG1 ILE 19 2.411 -2.426 -2.426 145 HG13 ILE 19 2HG1 ILE 19 3.694 -3.436 -1.798 146 HG21 ILE 19 1HG2 ILE 19 4.118 0.382 -1.150 147 HG22 ILE 19 2HG2 ILE 19 3.322 -0.417 -2.502 148 HG23 ILE 19 3HG2 ILE 19 4.959 -0.886 -2.041 149 HD11 ILE 19 3HD1 ILE 19 1.596 -4.474 -1.239 150 HD12 ILE 19 1HD1 ILE 19 0.990 -2.970 -0.549 151 HD13 ILE 19 2HD1 ILE 19 2.302 -3.840 0.244 152 H GLU 20 H GLU 20 4.089 -0.072 1.828 153 HA GLU 20 HA GLU 20 5.947 1.842 1.070 154 HB2 GLU 20 1HB GLU 20 4.123 1.758 3.002 155 HB3 GLU 20 2HB GLU 20 5.510 1.361 4.006 156 HG2 GLU 20 1HG GLU 20 6.582 3.467 2.726 157 HG3 GLU 20 2HG GLU 20 4.886 3.911 2.546 158 H ARG 21 H ARG 21 6.432 -0.947 3.180 159 HA ARG 21 HA ARG 21 9.217 -0.291 3.761 160 HB2 ARG 21 1HB ARG 21 7.377 -2.620 4.302 161 HB3 ARG 21 2HB ARG 21 9.109 -2.803 4.568 162 HG2 ARG 21 1HG ARG 21 7.911 -2.101 6.626 163 HG3 ARG 21 2HG ARG 21 9.106 -0.911 6.114 164 HD2 ARG 21 1HD ARG 21 7.376 0.477 5.128 165 HD3 ARG 21 2HD ARG 21 6.152 -0.756 5.448 166 HE ARG 21 HE ARG 21 7.540 0.115 7.860 167 HH11 ARG 21 1HH2 ARG 21 5.006 0.735 5.605 168 HH12 ARG 21 2HH2 ARG 21 4.057 1.653 6.724 169 HH21 ARG 21 1HH1 ARG 21 6.313 1.306 9.332 170 HH22 ARG 21 2HH1 ARG 21 4.795 1.975 8.833 171 H LEU 22 H LEU 22 7.516 -2.215 1.348 172 HA LEU 22 HA LEU 22 9.923 -3.618 0.480 173 HB2 LEU 22 1HB LEU 22 7.335 -3.292 -1.041 174 HB3 LEU 22 2HB LEU 22 8.545 -4.540 -1.244 175 HG LEU 22 HG LEU 22 6.650 -4.172 1.024 176 HD11 LEU 22 1HD1 LEU 22 7.358 -6.622 -0.566 177 HD12 LEU 22 2HD1 LEU 22 6.064 -5.519 -1.028 178 HD13 LEU 22 3HD1 LEU 22 5.967 -6.405 0.495 179 HD21 LEU 22 3HD2 LEU 22 9.203 -5.782 0.969 180 HD22 LEU 22 1HD2 LEU 22 7.879 -6.162 2.069 181 HD23 LEU 22 2HD2 LEU 22 8.698 -4.606 2.184 182 H CYS 23 H CYS 23 7.864 -1.189 -1.201 183 HA CYS 23 HA CYS 23 9.412 -0.664 -3.415 184 HB2 CYS 23 1HB CYS 23 8.734 1.839 -2.996 185 HB3 CYS 23 2HB CYS 23 7.471 0.639 -3.269 186 HG CYS 23 HG CYS 23 8.273 1.597 -0.402 187 H GLN 24 H GLN 24 9.960 0.838 -0.211 188 HA GLN 24 HA GLN 24 12.205 2.394 -0.817 189 HB2 GLN 24 1HB GLN 24 11.206 0.951 1.608 190 HB3 GLN 24 2HB GLN 24 12.863 1.522 1.671 191 HG2 GLN 24 1HG GLN 24 11.060 3.123 2.545 192 HG3 GLN 24 2HG GLN 24 12.208 3.789 1.388 193 HE21 GLN 24 2HE2 GLN 24 11.142 5.104 -0.083 194 HE22 GLN 24 1HE2 GLN 24 9.605 4.799 -0.735 195 H HIS 25 H HIS 25 12.066 -1.104 -0.144 196 HA HIS 25 HA HIS 25 14.986 -1.327 -0.666 197 HB2 HIS 25 1HB HIS 25 13.500 -2.557 1.190 198 HB3 HIS 25 2HB HIS 25 13.220 -3.702 -0.108 199 HD1 HIS 25 HD1 HIS 25 16.224 -3.115 -1.304 200 HD2 HIS 25 HD2 HIS 25 15.226 -4.445 2.522 201 HE1 HIS 25 HE1 HIS 25 18.279 -4.285 -0.391 202 HE2 HIS 25 HE2 HIS 25 17.682 -5.097 1.937 203 H TYR 26 H TYR 26 12.017 -2.978 -1.694 204 HA TYR 26 HA TYR 26 12.849 -4.487 -3.813 205 HB2 TYR 26 1HB TYR 26 10.364 -2.882 -3.325 206 HB3 TYR 26 2HB TYR 26 10.568 -3.599 -4.919 207 HD1 TYR 26 HD1 TYR 26 11.710 -4.941 -1.618 208 HD2 TYR 26 HD2 TYR 26 9.002 -5.378 -4.926 209 HE1 TYR 26 HE1 TYR 26 10.983 -7.136 -0.733 210 HE2 TYR 26 HE2 TYR 26 8.276 -7.576 -4.037 211 HH TYR 26 HH TYR 26 9.750 -8.946 -1.095 212 H ILE 27 H ILE 27 11.568 -1.199 -4.559 213 HA ILE 27 HA ILE 27 13.343 -1.178 -6.942 214 HB ILE 27 HB ILE 27 10.905 -0.719 -7.206 215 HG12 ILE 27 1HG1 ILE 27 12.586 1.702 -7.824 216 HG13 ILE 27 2HG1 ILE 27 12.693 0.198 -8.722 217 HG21 ILE 27 1HG2 ILE 27 9.967 1.333 -6.418 218 HG22 ILE 27 2HG2 ILE 27 11.503 1.816 -5.734 219 HG23 ILE 27 3HG2 ILE 27 10.634 0.461 -5.042 220 HD11 ILE 27 3HD1 ILE 27 11.157 1.697 -9.878 221 HD12 ILE 27 1HD1 ILE 27 10.220 1.914 -8.398 222 HD13 ILE 27 2HD1 ILE 27 10.252 0.344 -9.202 223 H GLY 28 H GLY 28 12.630 0.765 -4.046 224 HA2 GLY 28 1HA GLY 28 14.783 1.804 -3.073 225 HA3 GLY 28 2HA GLY 28 15.005 2.488 -4.682 226 H TRP 29 H TRP 29 12.455 3.190 -5.333 227 HA TRP 29 HA TRP 29 11.681 5.239 -3.280 228 HB2 TRP 29 1HB TRP 29 11.194 6.765 -5.108 229 HB3 TRP 29 2HB TRP 29 12.829 6.147 -5.344 230 HD1 TRP 29 HD1 TRP 29 12.872 3.803 -6.944 231 HE1 TRP 29 HE1 TRP 29 11.603 3.404 -9.154 232 HE3 TRP 29 HE3 TRP 29 9.290 7.419 -6.574 233 HZ2 TRP 29 HZ2 TRP 29 9.394 4.484 -10.582 234 HZ3 TRP 29 HZ3 TRP 29 7.619 7.718 -8.381 235 HH2 TRP 29 HH2 TRP 29 7.665 6.253 -10.383 236 H CYS 30 H CYS 30 9.277 6.054 -4.139 237 HA CYS 30 HA CYS 30 7.614 3.667 -3.889 238 HB2 CYS 30 1HB CYS 30 5.760 5.456 -4.123 239 HB3 CYS 30 2HB CYS 30 6.800 5.536 -2.703 240 HG CYS 30 HG CYS 30 7.015 7.902 -3.561 241 HA PRO 31 HA PRO 31 7.504 3.571 -8.438 242 HB2 PRO 31 1HB PRO 31 6.203 1.161 -8.740 243 HB3 PRO 31 2HB PRO 31 7.946 1.320 -8.462 244 HG2 PRO 31 1HG PRO 31 5.810 0.512 -6.579 245 HG3 PRO 31 2HG PRO 31 7.520 0.065 -6.610 246 HD2 PRO 31 1HD PRO 31 6.366 1.964 -4.882 247 HD3 PRO 31 2HD PRO 31 8.094 1.791 -5.212 248 H PHE 32 H PHE 32 4.762 3.218 -6.280 249 HA PHE 32 HA PHE 32 2.814 3.751 -8.419 250 HB2 PHE 32 1HB PHE 32 2.654 3.050 -5.501 251 HB3 PHE 32 2HB PHE 32 1.266 3.805 -6.278 252 HD1 PHE 32 HD1 PHE 32 3.771 1.239 -7.402 253 HD2 PHE 32 HD2 PHE 32 -0.366 2.211 -6.789 254 HE1 PHE 32 HE1 PHE 32 3.118 -0.950 -8.359 255 HE2 PHE 32 HE2 PHE 32 -1.020 0.022 -7.749 256 HZ PHE 32 HZ PHE 32 0.721 -1.560 -8.533 257 H TRP 33 H TRP 33 3.130 5.217 -5.173 258 HA TRP 33 HA TRP 33 2.322 7.817 -6.276 259 HB2 TRP 33 1HB TRP 33 2.700 8.483 -3.786 260 HB3 TRP 33 2HB TRP 33 1.358 7.407 -4.168 261 HD1 TRP 33 HD1 TRP 33 4.695 7.529 -2.405 262 HE1 TRP 33 HE1 TRP 33 5.080 5.298 -1.152 263 HE3 TRP 33 HE3 TRP 33 0.807 4.806 -4.256 264 HZ2 TRP 33 HZ2 TRP 33 3.894 2.713 -0.976 265 HZ3 TRP 33 HZ3 TRP 33 0.458 2.460 -3.547 266 HH2 TRP 33 HH2 TRP 33 1.990 1.410 -1.902 Start of MODEL 11 1 H1 ASN 1 1H ASN 1 -27.308 2.101 5.377 2 H2 ASN 1 2H ASN 1 -25.680 1.636 5.516 3 H3 ASN 1 3H ASN 1 -26.913 0.583 6.022 4 HA ASN 1 HA ASN 1 -27.721 0.472 3.701 5 HB2 ASN 1 1HB ASN 1 -25.985 1.210 1.993 6 HB3 ASN 1 2HB ASN 1 -26.835 2.521 2.813 7 HD21 ASN 1 2HD2 ASN 1 -25.283 4.150 3.091 8 HD22 ASN 1 1HD2 ASN 1 -23.739 3.905 3.754 9 H GLU 2 H GLU 2 -25.912 -0.638 1.937 10 HA GLU 2 HA GLU 2 -25.135 -3.048 3.345 11 HB2 GLU 2 1HB GLU 2 -24.270 -3.772 1.151 12 HB3 GLU 2 2HB GLU 2 -25.883 -3.081 0.987 13 HG2 GLU 2 1HG GLU 2 -24.797 -0.879 0.408 14 HG3 GLU 2 2HG GLU 2 -23.247 -1.721 0.369 15 H LEU 3 H LEU 3 -22.619 -3.383 1.761 16 HA LEU 3 HA LEU 3 -20.745 -2.540 3.733 17 HB2 LEU 3 1HB LEU 3 -20.121 -3.106 0.831 18 HB3 LEU 3 2HB LEU 3 -19.040 -3.267 2.214 19 HG LEU 3 HG LEU 3 -21.410 -4.996 1.479 20 HD11 LEU 3 1HD1 LEU 3 -19.223 -5.583 0.547 21 HD12 LEU 3 2HD1 LEU 3 -19.701 -6.776 1.755 22 HD13 LEU 3 3HD1 LEU 3 -18.510 -5.538 2.158 23 HD21 LEU 3 3HD2 LEU 3 -21.746 -4.646 3.829 24 HD22 LEU 3 1HD2 LEU 3 -20.014 -4.719 4.158 25 HD23 LEU 3 2HD2 LEU 3 -20.887 -6.181 3.697 26 H ASP 4 H ASP 4 -19.090 -0.905 3.579 27 HA ASP 4 HA ASP 4 -19.957 1.600 2.502 28 HB2 ASP 4 1HB ASP 4 -17.352 0.552 3.553 29 HB3 ASP 4 2HB ASP 4 -17.424 2.147 2.819 30 H VAL 5 H VAL 5 -18.064 2.655 0.897 31 HA VAL 5 HA VAL 5 -18.114 0.809 -1.441 32 HB VAL 5 HB VAL 5 -18.376 3.759 -1.095 33 HG11 VAL 5 1HG1 VAL 5 -18.016 4.019 -3.577 34 HG12 VAL 5 2HG1 VAL 5 -17.348 2.387 -3.601 35 HG13 VAL 5 3HG1 VAL 5 -16.527 3.664 -2.693 36 HG21 VAL 5 3HG2 VAL 5 -20.282 3.422 -2.497 37 HG22 VAL 5 1HG2 VAL 5 -20.269 2.117 -1.301 38 HG23 VAL 5 2HG2 VAL 5 -19.729 1.810 -2.958 39 HA PRO 6 HA PRO 6 -13.648 2.095 -1.593 40 HB2 PRO 6 1HB PRO 6 -12.596 4.126 -0.270 41 HB3 PRO 6 2HB PRO 6 -13.800 4.470 -1.540 42 HG2 PRO 6 1HG PRO 6 -14.221 4.229 1.417 43 HG3 PRO 6 2HG PRO 6 -14.688 5.560 0.333 44 HD2 PRO 6 1HD PRO 6 -16.435 3.538 1.005 45 HD3 PRO 6 2HD PRO 6 -16.479 4.400 -0.539 46 H GLU 7 H GLU 7 -15.083 0.805 0.777 47 HA GLU 7 HA GLU 7 -13.436 0.860 3.066 48 HB2 GLU 7 1HB GLU 7 -15.686 -0.612 2.215 49 HB3 GLU 7 2HB GLU 7 -14.469 -1.850 2.494 50 HG2 GLU 7 1HG GLU 7 -14.109 -1.037 4.767 51 HG3 GLU 7 2HG GLU 7 -15.216 0.308 4.489 52 H GLN 8 H GLN 8 -13.057 -0.956 0.043 53 HA GLN 8 HA GLN 8 -10.929 -2.635 0.839 54 HB2 GLN 8 1HB GLN 8 -10.891 -1.231 -1.837 55 HB3 GLN 8 2HB GLN 8 -10.441 -2.894 -1.453 56 HG2 GLN 8 1HG GLN 8 -12.923 -3.214 -0.793 57 HG3 GLN 8 2HG GLN 8 -13.208 -1.701 -1.655 58 HE21 GLN 8 2HE2 GLN 8 -12.066 -5.052 -2.075 59 HE22 GLN 8 1HE2 GLN 8 -12.266 -5.085 -3.761 60 H VAL 9 H VAL 9 -10.904 0.750 -0.211 61 HA VAL 9 HA VAL 9 -8.200 1.362 -0.278 62 HB VAL 9 HB VAL 9 -10.346 2.993 1.100 63 HG11 VAL 9 1HG1 VAL 9 -8.818 4.877 0.183 64 HG12 VAL 9 2HG1 VAL 9 -7.584 3.617 0.129 65 HG13 VAL 9 3HG1 VAL 9 -8.363 4.031 1.665 66 HG21 VAL 9 3HG2 VAL 9 -9.560 2.733 -1.801 67 HG22 VAL 9 1HG2 VAL 9 -10.454 4.123 -1.182 68 HG23 VAL 9 2HG2 VAL 9 -11.157 2.507 -1.080 69 H ASP 10 H ASP 10 -10.165 2.009 2.576 70 HA ASP 10 HA ASP 10 -8.177 2.303 4.479 71 HB2 ASP 10 1HB ASP 10 -10.483 2.715 4.989 72 HB3 ASP 10 2HB ASP 10 -10.931 1.036 4.657 73 H LYS 11 H LYS 11 -9.329 -0.694 3.049 74 HA LYS 11 HA LYS 11 -7.798 -2.344 4.940 75 HB2 LYS 11 1HB LYS 11 -9.205 -3.063 2.356 76 HB3 LYS 11 2HB LYS 11 -8.485 -4.218 3.474 77 HG2 LYS 11 1HG LYS 11 -10.020 -3.486 5.240 78 HG3 LYS 11 2HG LYS 11 -10.725 -2.294 4.154 79 HD2 LYS 11 1HD LYS 11 -11.234 -4.266 2.583 80 HD3 LYS 11 2HD LYS 11 -10.869 -5.306 3.961 81 HE2 LYS 11 1HE LYS 11 -12.555 -3.889 5.275 82 HE3 LYS 11 2HE LYS 11 -13.057 -3.243 3.714 83 HZ1 LYS 11 3HZ LYS 11 -13.992 -5.186 3.104 84 HZ2 LYS 11 1HZ LYS 11 -14.113 -5.422 4.779 85 HZ3 LYS 11 2HZ LYS 11 -12.839 -6.137 3.911 86 H LEU 12 H LEU 12 -7.580 -1.174 1.626 87 HA LEU 12 HA LEU 12 -5.245 -2.532 0.799 88 HB2 LEU 12 1HB LEU 12 -6.274 0.189 0.192 89 HB3 LEU 12 2HB LEU 12 -4.908 -0.504 -0.612 90 HG LEU 12 HG LEU 12 -7.706 -0.839 -1.206 91 HD11 LEU 12 1HD1 LEU 12 -6.782 -1.915 -3.229 92 HD12 LEU 12 2HD1 LEU 12 -5.200 -1.944 -2.440 93 HD13 LEU 12 3HD1 LEU 12 -5.963 -0.401 -2.832 94 HD21 LEU 12 3HD2 LEU 12 -6.270 -3.490 -0.939 95 HD22 LEU 12 1HD2 LEU 12 -7.916 -3.218 -1.486 96 HD23 LEU 12 2HD2 LEU 12 -7.505 -2.951 0.197 97 H ILE 13 H ILE 13 -5.586 0.683 2.230 98 HA ILE 13 HA ILE 13 -3.005 1.453 2.663 99 HB ILE 13 HB ILE 13 -5.565 1.661 4.184 100 HG12 ILE 13 1HG1 ILE 13 -5.092 4.075 3.859 101 HG13 ILE 13 2HG1 ILE 13 -3.602 3.659 3.028 102 HG21 ILE 13 1HG2 ILE 13 -4.184 1.452 6.080 103 HG22 ILE 13 2HG2 ILE 13 -4.332 3.194 5.836 104 HG23 ILE 13 3HG2 ILE 13 -2.862 2.348 5.323 105 HD11 ILE 13 3HD1 ILE 13 -5.386 4.081 1.410 106 HD12 ILE 13 1HD1 ILE 13 -6.410 2.895 2.208 107 HD13 ILE 13 2HD1 ILE 13 -4.947 2.376 1.372 108 H GLN 14 H GLN 14 -4.835 -0.741 4.833 109 HA GLN 14 HA GLN 14 -2.848 -1.229 6.724 110 HB2 GLN 14 1HB GLN 14 -4.797 -3.255 5.604 111 HB3 GLN 14 2HB GLN 14 -3.964 -3.353 7.145 112 HG2 GLN 14 1HG GLN 14 -5.141 -1.497 8.038 113 HG3 GLN 14 2HG GLN 14 -5.732 -1.030 6.449 114 HE21 GLN 14 2HE2 GLN 14 -7.855 -1.223 7.911 115 HE22 GLN 14 1HE2 GLN 14 -8.630 -2.732 7.849 116 H GLN 15 H GLN 15 -3.417 -2.993 3.689 117 HA GLN 15 HA GLN 15 -0.937 -4.516 4.082 118 HB2 GLN 15 1HB GLN 15 -1.449 -5.383 1.753 119 HB3 GLN 15 2HB GLN 15 -2.677 -5.707 2.970 120 HG2 GLN 15 1HG GLN 15 -3.988 -3.802 2.201 121 HG3 GLN 15 2HG GLN 15 -2.753 -3.412 1.003 122 HE21 GLN 15 2HE2 GLN 15 -4.134 -3.825 -0.843 123 HE22 GLN 15 1HE2 GLN 15 -4.669 -5.388 -1.234 124 H ALA 16 H ALA 16 -1.920 -1.597 2.505 125 HA ALA 16 HA ALA 16 0.177 -1.396 0.564 126 HB1 ALA 16 3HB ALA 16 -0.606 0.766 0.235 127 HB2 ALA 16 1HB ALA 16 -0.861 1.056 1.958 128 HB3 ALA 16 2HB ALA 16 -2.002 0.063 1.051 129 H THR 17 H THR 17 0.002 -0.368 3.992 130 HA THR 17 HA THR 17 2.393 1.044 4.188 131 HB THR 17 HB THR 17 0.812 -0.708 6.048 132 HG1 THR 17 HG1 THR 17 1.493 1.773 6.854 133 HG21 THR 17 3HG2 THR 17 2.402 0.105 7.874 134 HG22 THR 17 1HG2 THR 17 3.545 0.440 6.574 135 HG23 THR 17 2HG2 THR 17 2.979 -1.206 6.846 136 H SER 18 H SER 18 1.891 -2.482 4.180 137 HA SER 18 HA SER 18 4.654 -3.116 4.672 138 HB2 SER 18 1HB SER 18 4.004 -5.321 4.417 139 HB3 SER 18 2HB SER 18 2.439 -4.591 4.735 140 HG SER 18 HG SER 18 2.672 -6.013 2.819 141 H ILE 19 H ILE 19 2.722 -2.759 1.686 142 HA ILE 19 HA ILE 19 4.761 -3.446 -0.146 143 HB ILE 19 HB ILE 19 2.274 -1.756 -0.211 144 HG12 ILE 19 1HG1 ILE 19 1.835 -3.455 -2.151 145 HG13 ILE 19 2HG1 ILE 19 3.187 -4.330 -1.470 146 HG21 ILE 19 1HG2 ILE 19 3.595 -0.453 -1.644 147 HG22 ILE 19 2HG2 ILE 19 2.695 -1.515 -2.721 148 HG23 ILE 19 3HG2 ILE 19 4.384 -1.867 -2.341 149 HD11 ILE 19 3HD1 ILE 19 0.633 -3.589 -0.052 150 HD12 ILE 19 1HD1 ILE 19 2.030 -4.319 0.732 151 HD13 ILE 19 2HD1 ILE 19 1.158 -5.207 -0.510 152 H GLU 20 H GLU 20 4.471 -0.799 2.002 153 HA GLU 20 HA GLU 20 5.898 1.165 0.434 154 HB2 GLU 20 1HB GLU 20 4.386 1.509 2.518 155 HB3 GLU 20 2HB GLU 20 5.828 1.124 3.450 156 HG2 GLU 20 1HG GLU 20 5.842 3.495 3.234 157 HG3 GLU 20 2HG GLU 20 7.021 2.916 2.059 158 H ARG 21 H ARG 21 6.978 -0.757 3.284 159 HA ARG 21 HA ARG 21 9.719 0.006 2.899 160 HB2 ARG 21 1HB ARG 21 10.007 -2.208 4.403 161 HB3 ARG 21 2HB ARG 21 9.458 -0.683 5.075 162 HG2 ARG 21 1HG ARG 21 7.331 -2.466 3.946 163 HG3 ARG 21 2HG ARG 21 8.111 -3.024 5.419 164 HD2 ARG 21 1HD ARG 21 7.624 -0.718 6.414 165 HD3 ARG 21 2HD ARG 21 6.603 -0.429 5.008 166 HE ARG 21 HE ARG 21 4.999 -1.847 5.976 167 HH11 ARG 21 1HH2 ARG 21 8.139 -2.363 7.304 168 HH12 ARG 21 2HH2 ARG 21 7.588 -3.466 8.520 169 HH21 ARG 21 1HH1 ARG 21 4.262 -3.283 7.554 170 HH22 ARG 21 2HH1 ARG 21 5.392 -3.987 8.662 171 H LEU 22 H LEU 22 7.791 -2.198 1.156 172 HA LEU 22 HA LEU 22 9.983 -4.031 0.494 173 HB2 LEU 22 1HB LEU 22 7.221 -3.671 -0.695 174 HB3 LEU 22 2HB LEU 22 8.365 -4.891 -1.214 175 HG LEU 22 HG LEU 22 7.220 -4.628 1.528 176 HD11 LEU 22 1HD1 LEU 22 5.772 -5.530 -0.356 177 HD12 LEU 22 2HD1 LEU 22 5.978 -6.599 1.029 178 HD13 LEU 22 3HD1 LEU 22 6.908 -6.873 -0.443 179 HD21 LEU 22 3HD2 LEU 22 9.273 -5.588 2.034 180 HD22 LEU 22 1HD2 LEU 22 9.443 -6.305 0.432 181 HD23 LEU 22 2HD2 LEU 22 8.370 -7.041 1.623 182 H CYS 23 H CYS 23 7.977 -2.043 -1.675 183 HA CYS 23 HA CYS 23 9.883 -1.985 -3.769 184 HB2 CYS 23 1HB CYS 23 8.030 0.338 -3.352 185 HB3 CYS 23 2HB CYS 23 8.429 -0.535 -4.834 186 HG CYS 23 HG CYS 23 6.218 -1.294 -2.872 187 H GLN 24 H GLN 24 9.381 0.340 -1.090 188 HA GLN 24 HA GLN 24 11.126 2.369 -1.834 189 HB2 GLN 24 1HB GLN 24 10.582 1.098 0.853 190 HB3 GLN 24 2HB GLN 24 11.637 2.491 0.682 191 HG2 GLN 24 1HG GLN 24 8.830 2.460 -0.429 192 HG3 GLN 24 2HG GLN 24 9.194 3.008 1.208 193 HE21 GLN 24 2HE2 GLN 24 11.904 3.763 -0.568 194 HE22 GLN 24 1HE2 GLN 24 11.508 5.350 -1.021 195 H HIS 25 H HIS 25 11.857 -0.908 -0.962 196 HA HIS 25 HA HIS 25 14.761 -0.357 -0.729 197 HB2 HIS 25 1HB HIS 25 13.285 -2.027 0.713 198 HB3 HIS 25 2HB HIS 25 13.547 -3.117 -0.637 199 HD1 HIS 25 HD1 HIS 25 14.806 -3.711 2.135 200 HD2 HIS 25 HD2 HIS 25 16.782 -1.685 -0.929 201 HE1 HIS 25 HE1 HIS 25 17.287 -3.979 2.581 202 HE2 HIS 25 HE2 HIS 25 18.498 -2.750 0.721 203 H TYR 26 H TYR 26 12.784 -2.785 -2.404 204 HA TYR 26 HA TYR 26 14.619 -3.630 -4.306 205 HB2 TYR 26 1HB TYR 26 11.626 -3.303 -4.500 206 HB3 TYR 26 2HB TYR 26 12.573 -4.050 -5.778 207 HD1 TYR 26 HD2 TYR 26 14.192 -5.969 -5.065 208 HD2 TYR 26 HD1 TYR 26 10.875 -4.620 -2.685 209 HE1 TYR 26 HE2 TYR 26 14.202 -8.117 -3.827 210 HE2 TYR 26 HE1 TYR 26 10.890 -6.767 -1.451 211 HH TYR 26 HH TYR 26 11.900 -8.719 -1.171 212 H ILE 27 H ILE 27 12.135 -1.089 -5.036 213 HA ILE 27 HA ILE 27 13.747 -0.300 -7.357 214 HB ILE 27 HB ILE 27 11.262 -0.376 -7.483 215 HG12 ILE 27 1HG1 ILE 27 12.386 2.391 -7.902 216 HG13 ILE 27 2HG1 ILE 27 12.704 1.035 -8.966 217 HG21 ILE 27 1HG2 ILE 27 10.490 0.390 -5.403 218 HG22 ILE 27 2HG2 ILE 27 10.099 1.690 -6.516 219 HG23 ILE 27 3HG2 ILE 27 11.474 1.838 -5.457 220 HD11 ILE 27 3HD1 ILE 27 10.243 0.770 -9.306 221 HD12 ILE 27 1HD1 ILE 27 10.863 2.312 -9.895 222 HD13 ILE 27 2HD1 ILE 27 9.995 2.238 -8.362 223 H GLY 28 H GLY 28 13.015 0.961 -4.156 224 HA2 GLY 28 1HA GLY 28 14.842 2.350 -3.126 225 HA3 GLY 28 2HA GLY 28 14.933 3.216 -4.658 226 H TRP 29 H TRP 29 12.167 3.457 -5.195 227 HA TRP 29 HA TRP 29 11.243 5.233 -2.953 228 HB2 TRP 29 1HB TRP 29 10.258 6.684 -4.676 229 HB3 TRP 29 2HB TRP 29 11.993 6.501 -4.931 230 HD1 TRP 29 HD1 TRP 29 12.616 4.362 -6.673 231 HE1 TRP 29 HE1 TRP 29 11.497 3.832 -8.936 232 HE3 TRP 29 HE3 TRP 29 8.234 6.920 -6.120 233 HZ2 TRP 29 HZ2 TRP 29 9.084 4.413 -10.324 234 HZ3 TRP 29 HZ3 TRP 29 6.543 6.917 -7.933 235 HH2 TRP 29 HH2 TRP 29 6.959 5.664 -10.032 236 H CYS 30 H CYS 30 8.713 5.776 -4.120 237 HA CYS 30 HA CYS 30 7.354 3.163 -3.649 238 HB2 CYS 30 1HB CYS 30 5.327 4.901 -3.592 239 HB3 CYS 30 2HB CYS 30 6.386 4.693 -2.199 240 HG CYS 30 HG CYS 30 6.042 7.286 -3.305 241 HA PRO 31 HA PRO 31 7.069 3.233 -8.254 242 HB2 PRO 31 1HB PRO 31 5.260 0.921 -7.662 243 HB3 PRO 31 2HB PRO 31 6.587 1.043 -8.833 244 HG2 PRO 31 1HG PRO 31 6.854 -0.296 -6.533 245 HG3 PRO 31 2HG PRO 31 8.197 0.606 -7.253 246 HD2 PRO 31 1HD PRO 31 6.536 1.298 -4.867 247 HD3 PRO 31 2HD PRO 31 8.220 1.719 -5.225 248 H PHE 32 H PHE 32 4.247 2.621 -6.163 249 HA PHE 32 HA PHE 32 2.388 3.713 -8.117 250 HB2 PHE 32 1HB PHE 32 2.089 2.702 -5.284 251 HB3 PHE 32 2HB PHE 32 0.741 3.294 -6.246 252 HD1 PHE 32 HD2 PHE 32 0.186 2.162 -8.439 253 HD2 PHE 32 HD1 PHE 32 2.986 0.520 -5.625 254 HE1 PHE 32 HE2 PHE 32 0.002 -0.050 -9.546 255 HE2 PHE 32 HE1 PHE 32 2.802 -1.691 -6.732 256 HZ PHE 32 HZ PHE 32 1.311 -1.977 -8.692 257 H TRP 33 H TRP 33 2.723 4.503 -4.665 258 HA TRP 33 HA TRP 33 2.168 7.355 -5.321 259 HB2 TRP 33 1HB TRP 33 1.913 7.431 -2.739 260 HB3 TRP 33 2HB TRP 33 0.670 6.601 -3.666 261 HD1 TRP 33 HD1 TRP 33 3.588 5.964 -1.302 262 HE1 TRP 33 HE1 TRP 33 3.477 3.520 -0.484 263 HE3 TRP 33 HE3 TRP 33 -0.164 4.196 -4.284 264 HZ2 TRP 33 HZ2 TRP 33 2.003 1.144 -1.017 265 HZ3 TRP 33 HZ3 TRP 33 -0.899 1.835 -4.108 266 HH2 TRP 33 HH2 TRP 33 0.178 0.306 -2.479 Start of MODEL 12 1 H1 ASN 1 1H ASN 1 -26.152 -4.315 3.823 2 H2 ASN 1 2H ASN 1 -24.467 -4.118 3.749 3 H3 ASN 1 3H ASN 1 -25.420 -2.999 4.603 4 HA ASN 1 HA ASN 1 -26.135 -5.122 5.934 5 HB2 ASN 1 1HB ASN 1 -23.308 -5.758 5.042 6 HB3 ASN 1 2HB ASN 1 -24.313 -6.712 6.133 7 HD21 ASN 1 2HD2 ASN 1 -25.620 -8.298 5.177 8 HD22 ASN 1 1HD2 ASN 1 -25.933 -8.411 3.512 9 H GLU 2 H GLU 2 -24.431 -5.515 7.928 10 HA GLU 2 HA GLU 2 -24.136 -2.983 9.176 11 HB2 GLU 2 1HB GLU 2 -24.265 -5.061 10.472 12 HB3 GLU 2 2HB GLU 2 -22.742 -5.611 9.777 13 HG2 GLU 2 1HG GLU 2 -22.446 -4.668 12.059 14 HG3 GLU 2 2HG GLU 2 -21.547 -3.757 10.850 15 H LEU 3 H LEU 3 -21.755 -5.029 7.516 16 HA LEU 3 HA LEU 3 -19.453 -3.453 7.994 17 HB2 LEU 3 1HB LEU 3 -20.049 -4.908 5.414 18 HB3 LEU 3 2HB LEU 3 -18.468 -4.541 6.102 19 HG LEU 3 HG LEU 3 -20.507 -6.561 7.054 20 HD11 LEU 3 1HD1 LEU 3 -18.831 -7.279 5.415 21 HD12 LEU 3 2HD1 LEU 3 -18.513 -8.034 6.978 22 HD13 LEU 3 3HD1 LEU 3 -17.542 -6.660 6.447 23 HD21 LEU 3 3HD2 LEU 3 -19.897 -5.458 9.101 24 HD22 LEU 3 1HD2 LEU 3 -18.209 -5.334 8.606 25 HD23 LEU 3 2HD2 LEU 3 -18.895 -6.906 9.012 26 H ASP 4 H ASP 4 -18.399 -1.895 6.623 27 HA ASP 4 HA ASP 4 -20.198 0.019 5.428 28 HB2 ASP 4 1HB ASP 4 -17.226 -0.261 5.636 29 HB3 ASP 4 2HB ASP 4 -17.905 0.947 4.558 30 H VAL 5 H VAL 5 -19.363 0.722 3.024 31 HA VAL 5 HA VAL 5 -19.710 -1.765 1.430 32 HB VAL 5 HB VAL 5 -20.557 1.077 1.147 33 HG11 VAL 5 1HG1 VAL 5 -21.109 0.624 -1.276 34 HG12 VAL 5 2HG1 VAL 5 -20.083 -0.806 -1.185 35 HG13 VAL 5 3HG1 VAL 5 -19.376 0.802 -0.966 36 HG21 VAL 5 3HG2 VAL 5 -21.942 -0.822 2.056 37 HG22 VAL 5 1HG2 VAL 5 -21.926 -1.515 0.428 38 HG23 VAL 5 2HG2 VAL 5 -22.672 0.061 0.704 39 HA PRO 6 HA PRO 6 -16.045 0.066 -0.821 40 HB2 PRO 6 1HB PRO 6 -15.074 2.491 -0.387 41 HB3 PRO 6 2HB PRO 6 -16.680 2.331 -1.144 42 HG2 PRO 6 1HG PRO 6 -16.010 2.792 1.742 43 HG3 PRO 6 2HG PRO 6 -17.102 3.725 0.689 44 HD2 PRO 6 1HD PRO 6 -18.026 1.736 2.333 45 HD3 PRO 6 2HD PRO 6 -18.766 2.135 0.775 46 H GLU 7 H GLU 7 -16.244 -0.787 2.095 47 HA GLU 7 HA GLU 7 -13.996 0.010 3.567 48 HB2 GLU 7 1HB GLU 7 -15.980 -1.962 3.816 49 HB3 GLU 7 2HB GLU 7 -14.499 -2.907 3.751 50 HG2 GLU 7 1HG GLU 7 -14.907 -0.551 5.619 51 HG3 GLU 7 2HG GLU 7 -15.204 -2.226 6.075 52 H GLN 8 H GLN 8 -14.174 -2.272 0.858 53 HA GLN 8 HA GLN 8 -11.602 -3.396 1.030 54 HB2 GLN 8 1HB GLN 8 -12.684 -2.409 -1.613 55 HB3 GLN 8 2HB GLN 8 -11.784 -3.888 -1.271 56 HG2 GLN 8 1HG GLN 8 -13.822 -4.534 0.209 57 HG3 GLN 8 2HG GLN 8 -14.673 -3.263 -0.669 58 HE21 GLN 8 2HE2 GLN 8 -13.143 -6.439 -1.004 59 HE22 GLN 8 1HE2 GLN 8 -13.757 -6.767 -2.552 60 H VAL 9 H VAL 9 -12.608 -0.256 -0.233 61 HA VAL 9 HA VAL 9 -10.237 0.803 -1.231 62 HB VAL 9 HB VAL 9 -12.256 2.189 0.552 63 HG11 VAL 9 1HG1 VAL 9 -10.050 3.197 -1.217 64 HG12 VAL 9 2HG1 VAL 9 -10.423 3.622 0.459 65 HG13 VAL 9 3HG1 VAL 9 -11.460 4.195 -0.851 66 HG21 VAL 9 3HG2 VAL 9 -13.204 2.933 -1.669 67 HG22 VAL 9 1HG2 VAL 9 -13.399 1.214 -1.317 68 HG23 VAL 9 2HG2 VAL 9 -12.144 1.751 -2.438 69 H ASP 10 H ASP 10 -11.413 1.551 2.018 70 HA ASP 10 HA ASP 10 -9.069 2.507 3.159 71 HB2 ASP 10 1HB ASP 10 -11.165 2.557 4.347 72 HB3 ASP 10 2HB ASP 10 -11.258 0.792 4.372 73 H LYS 11 H LYS 11 -9.991 -0.862 2.632 74 HA LYS 11 HA LYS 11 -7.639 -1.912 4.002 75 HB2 LYS 11 1HB LYS 11 -9.499 -3.228 2.003 76 HB3 LYS 11 2HB LYS 11 -8.271 -4.063 2.946 77 HG2 LYS 11 1HG LYS 11 -9.411 -3.315 5.027 78 HG3 LYS 11 2HG LYS 11 -10.681 -2.594 4.043 79 HD2 LYS 11 1HD LYS 11 -10.937 -4.922 2.969 80 HD3 LYS 11 2HD LYS 11 -9.965 -5.516 4.317 81 HE2 LYS 11 1HE LYS 11 -11.638 -4.315 5.847 82 HE3 LYS 11 2HE LYS 11 -12.662 -4.166 4.419 83 HZ1 LYS 11 3HZ LYS 11 -12.736 -6.259 6.037 84 HZ2 LYS 11 1HZ LYS 11 -11.554 -6.802 4.949 85 HZ3 LYS 11 2HZ LYS 11 -13.093 -6.363 4.379 86 H LEU 12 H LEU 12 -8.574 -1.127 0.676 87 HA LEU 12 HA LEU 12 -6.256 -2.171 -0.567 88 HB2 LEU 12 1HB LEU 12 -8.021 0.118 -1.250 89 HB3 LEU 12 2HB LEU 12 -6.719 -0.388 -2.267 90 HG LEU 12 HG LEU 12 -9.395 -1.412 -2.141 91 HD11 LEU 12 1HD1 LEU 12 -8.155 -0.955 -4.170 92 HD12 LEU 12 2HD1 LEU 12 -8.621 -2.659 -4.144 93 HD13 LEU 12 3HD1 LEU 12 -6.966 -2.185 -3.737 94 HD21 LEU 12 3HD2 LEU 12 -7.359 -3.631 -1.847 95 HD22 LEU 12 1HD2 LEU 12 -9.101 -3.785 -2.004 96 HD23 LEU 12 2HD2 LEU 12 -8.417 -3.129 -0.529 97 H ILE 13 H ILE 13 -6.967 1.182 0.422 98 HA ILE 13 HA ILE 13 -4.613 2.491 0.097 99 HB ILE 13 HB ILE 13 -6.639 2.376 2.287 100 HG12 ILE 13 1HG1 ILE 13 -6.891 4.742 1.661 101 HG13 ILE 13 2HG1 ILE 13 -5.558 4.588 0.525 102 HG21 ILE 13 1HG2 ILE 13 -4.785 2.689 3.714 103 HG22 ILE 13 2HG2 ILE 13 -5.387 4.323 3.408 104 HG23 ILE 13 3HG2 ILE 13 -3.955 3.731 2.551 105 HD11 ILE 13 3HD1 ILE 13 -7.730 4.384 -0.618 106 HD12 ILE 13 1HD1 ILE 13 -8.159 3.044 0.441 107 HD13 ILE 13 2HD1 ILE 13 -6.833 2.869 -0.709 108 H GLN 14 H GLN 14 -5.225 0.159 2.735 109 HA GLN 14 HA GLN 14 -2.681 0.375 3.954 110 HB2 GLN 14 1HB GLN 14 -4.529 -2.016 3.790 111 HB3 GLN 14 2HB GLN 14 -3.167 -1.862 4.871 112 HG2 GLN 14 1HG GLN 14 -4.233 0.274 5.741 113 HG3 GLN 14 2HG GLN 14 -5.673 -0.206 4.850 114 HE21 GLN 14 2HE2 GLN 14 -7.096 -0.929 6.462 115 HE22 GLN 14 1HE2 GLN 14 -6.704 -2.104 7.622 116 H GLN 15 H GLN 15 -3.851 -1.793 1.350 117 HA GLN 15 HA GLN 15 -1.526 -3.335 1.043 118 HB2 GLN 15 1HB GLN 15 -2.155 -3.798 -1.209 119 HB3 GLN 15 2HB GLN 15 -3.650 -3.602 -0.310 120 HG2 GLN 15 1HG GLN 15 -4.315 -1.913 -1.689 121 HG3 GLN 15 2HG GLN 15 -2.839 -1.017 -1.418 122 HE21 GLN 15 2HE2 GLN 15 -4.485 -1.592 -3.915 123 HE22 GLN 15 1HE2 GLN 15 -3.357 -2.210 -5.031 124 H ALA 16 H ALA 16 -1.972 0.040 0.388 125 HA ALA 16 HA ALA 16 0.506 0.276 -1.208 126 HB1 ALA 16 3HB ALA 16 -0.019 2.645 -1.266 127 HB2 ALA 16 1HB ALA 16 -1.197 2.468 0.037 128 HB3 ALA 16 2HB ALA 16 -1.519 1.757 -1.547 129 H THR 17 H THR 17 -0.594 0.980 2.132 130 HA THR 17 HA THR 17 1.683 2.350 3.040 131 HB THR 17 HB THR 17 -0.380 0.574 4.281 132 HG1 THR 17 HG1 THR 17 0.509 3.214 4.400 133 HG21 THR 17 3HG2 THR 17 2.257 1.279 5.546 134 HG22 THR 17 1HG2 THR 17 1.421 -0.273 5.522 135 HG23 THR 17 2HG2 THR 17 0.807 1.042 6.524 136 H SER 18 H SER 18 1.142 -1.115 2.522 137 HA SER 18 HA SER 18 3.599 -2.031 3.656 138 HB2 SER 18 1HB SER 18 3.196 -3.958 1.962 139 HB3 SER 18 2HB SER 18 1.992 -3.707 3.218 140 HG SER 18 HG SER 18 0.761 -2.547 1.717 141 H ILE 19 H ILE 19 2.706 -1.330 0.246 142 HA ILE 19 HA ILE 19 5.120 -1.735 -1.003 143 HB ILE 19 HB ILE 19 2.816 0.134 -1.383 144 HG12 ILE 19 1HG1 ILE 19 3.015 -0.977 -3.742 145 HG13 ILE 19 2HG1 ILE 19 4.119 -2.080 -2.950 146 HG21 ILE 19 1HG2 ILE 19 4.488 1.674 -1.956 147 HG22 ILE 19 2HG2 ILE 19 3.954 0.996 -3.491 148 HG23 ILE 19 3HG2 ILE 19 5.467 0.447 -2.760 149 HD11 ILE 19 3HD1 ILE 19 2.026 -3.136 -2.779 150 HD12 ILE 19 1HD1 ILE 19 1.216 -1.625 -2.370 151 HD13 ILE 19 2HD1 ILE 19 2.284 -2.403 -1.197 152 H GLU 20 H GLU 20 4.297 0.788 1.274 153 HA GLU 20 HA GLU 20 6.425 2.595 0.644 154 HB2 GLU 20 1HB GLU 20 4.318 2.768 2.276 155 HB3 GLU 20 2HB GLU 20 5.482 2.239 3.482 156 HG2 GLU 20 1HG GLU 20 5.944 4.608 1.638 157 HG3 GLU 20 2HG GLU 20 5.281 4.744 3.263 158 H ARG 21 H ARG 21 6.215 -0.232 2.763 159 HA ARG 21 HA ARG 21 8.986 0.075 3.676 160 HB2 ARG 21 1HB ARG 21 6.943 -2.146 4.021 161 HB3 ARG 21 2HB ARG 21 8.541 -2.149 4.751 162 HG2 ARG 21 1HG ARG 21 7.398 -1.183 6.513 163 HG3 ARG 21 2HG ARG 21 7.720 0.290 5.606 164 HD2 ARG 21 1HD ARG 21 5.430 0.444 6.021 165 HD3 ARG 21 2HD ARG 21 5.459 -0.262 4.406 166 HE ARG 21 HE ARG 21 5.327 -2.525 5.749 167 HH11 ARG 21 1HH2 ARG 21 3.818 0.484 6.603 168 HH12 ARG 21 2HH2 ARG 21 2.530 -0.277 7.468 169 HH21 ARG 21 1HH1 ARG 21 3.645 -3.496 6.871 170 HH22 ARG 21 2HH1 ARG 21 2.428 -2.515 7.616 171 H LEU 22 H LEU 22 7.280 -1.548 1.099 172 HA LEU 22 HA LEU 22 9.431 -3.441 0.520 173 HB2 LEU 22 1HB LEU 22 7.241 -2.544 -1.360 174 HB3 LEU 22 2HB LEU 22 8.153 -4.036 -1.406 175 HG LEU 22 HG LEU 22 6.037 -3.241 0.530 176 HD11 LEU 22 1HD1 LEU 22 5.382 -4.413 -1.526 177 HD12 LEU 22 2HD1 LEU 22 5.097 -5.416 -0.103 178 HD13 LEU 22 3HD1 LEU 22 6.505 -5.712 -1.125 179 HD21 LEU 22 3HD2 LEU 22 6.619 -5.419 1.731 180 HD22 LEU 22 1HD2 LEU 22 7.735 -4.081 1.997 181 HD23 LEU 22 2HD2 LEU 22 8.154 -5.367 0.866 182 H CYS 23 H CYS 23 8.189 -0.510 -1.110 183 HA CYS 23 HA CYS 23 10.035 -0.259 -3.170 184 HB2 CYS 23 1HB CYS 23 9.764 2.226 -2.876 185 HB3 CYS 23 2HB CYS 23 8.240 1.347 -2.908 186 HG CYS 23 HG CYS 23 8.314 1.475 -0.214 187 H GLN 24 H GLN 24 10.590 0.111 0.247 188 HA GLN 24 HA GLN 24 13.175 1.434 -0.057 189 HB2 GLN 24 1HB GLN 24 11.638 0.195 2.232 190 HB3 GLN 24 2HB GLN 24 13.313 0.688 2.442 191 HG2 GLN 24 1HG GLN 24 12.814 2.968 1.961 192 HG3 GLN 24 2HG GLN 24 11.221 2.557 1.322 193 HE21 GLN 24 2HE2 GLN 24 11.512 4.458 3.444 194 HE22 GLN 24 1HE2 GLN 24 10.837 3.796 4.854 195 H HIS 25 H HIS 25 11.949 -1.843 0.214 196 HA HIS 25 HA HIS 25 14.705 -2.956 0.392 197 HB2 HIS 25 1HB HIS 25 12.614 -3.798 1.719 198 HB3 HIS 25 2HB HIS 25 12.159 -4.579 0.215 199 HD1 HIS 25 HD1 HIS 25 12.807 -6.981 0.428 200 HD2 HIS 25 HD2 HIS 25 15.767 -4.455 1.930 201 HE1 HIS 25 HE1 HIS 25 14.759 -8.465 1.072 202 HE2 HIS 25 HE2 HIS 25 16.565 -6.938 1.987 203 H TYR 26 H TYR 26 11.796 -3.746 -1.465 204 HA TYR 26 HA TYR 26 12.846 -5.218 -3.524 205 HB2 TYR 26 1HB TYR 26 10.604 -3.217 -3.429 206 HB3 TYR 26 2HB TYR 26 11.021 -3.963 -4.967 207 HD1 TYR 26 HD1 TYR 26 10.473 -4.957 -1.382 208 HD2 TYR 26 HD2 TYR 26 9.941 -5.967 -5.526 209 HE1 TYR 26 HE1 TYR 26 9.225 -6.994 -0.726 210 HE2 TYR 26 HE2 TYR 26 8.692 -8.004 -4.866 211 HH TYR 26 HH TYR 26 8.820 -9.432 -2.127 212 H ILE 27 H ILE 27 12.259 -1.703 -4.117 213 HA ILE 27 HA ILE 27 14.501 -1.792 -6.064 214 HB ILE 27 HB ILE 27 12.225 -0.952 -6.734 215 HG12 ILE 27 1HG1 ILE 27 14.419 1.110 -6.898 216 HG13 ILE 27 2HG1 ILE 27 14.361 -0.339 -7.885 217 HG21 ILE 27 1HG2 ILE 27 12.937 1.469 -5.138 218 HG22 ILE 27 2HG2 ILE 27 11.887 0.213 -4.510 219 HG23 ILE 27 3HG2 ILE 27 11.426 1.114 -5.953 220 HD11 ILE 27 3HD1 ILE 27 13.373 1.444 -9.174 221 HD12 ILE 27 1HD1 ILE 27 12.336 1.901 -7.823 222 HD13 ILE 27 2HD1 ILE 27 12.071 0.372 -8.659 223 H GLY 28 H GLY 28 13.395 0.076 -3.236 224 HA2 GLY 28 1HA GLY 28 15.293 0.686 -1.650 225 HA3 GLY 28 2HA GLY 28 16.144 1.286 -3.069 226 H TRP 29 H TRP 29 14.068 2.536 -4.392 227 HA TRP 29 HA TRP 29 13.290 4.756 -2.519 228 HB2 TRP 29 1HB TRP 29 13.582 6.300 -4.382 229 HB3 TRP 29 2HB TRP 29 15.059 5.351 -4.211 230 HD1 TRP 29 HD1 TRP 29 15.042 3.016 -5.796 231 HE1 TRP 29 HE1 TRP 29 14.309 2.805 -8.262 232 HE3 TRP 29 HE3 TRP 29 12.258 7.264 -6.260 233 HZ2 TRP 29 HZ2 TRP 29 12.784 4.252 -10.177 234 HZ3 TRP 29 HZ3 TRP 29 11.182 7.831 -8.421 235 HH2 TRP 29 HH2 TRP 29 11.439 6.329 -10.379 236 H CYS 30 H CYS 30 11.413 6.079 -3.870 237 HA CYS 30 HA CYS 30 9.216 4.172 -4.060 238 HB2 CYS 30 1HB CYS 30 7.970 6.356 -4.721 239 HB3 CYS 30 2HB CYS 30 8.611 6.223 -3.085 240 HG CYS 30 HG CYS 30 9.842 7.972 -5.347 241 HA PRO 31 HA PRO 31 10.098 3.939 -8.527 242 HB2 PRO 31 1HB PRO 31 8.510 1.788 -9.130 243 HB3 PRO 31 2HB PRO 31 10.125 1.644 -8.428 244 HG2 PRO 31 1HG PRO 31 7.485 1.304 -7.142 245 HG3 PRO 31 2HG PRO 31 9.045 0.565 -6.744 246 HD2 PRO 31 1HD PRO 31 7.843 2.733 -5.376 247 HD3 PRO 31 2HD PRO 31 9.523 2.199 -5.214 248 H PHE 32 H PHE 32 6.867 3.953 -7.104 249 HA PHE 32 HA PHE 32 5.585 4.744 -9.606 250 HB2 PHE 32 1HB PHE 32 4.654 4.314 -6.774 251 HB3 PHE 32 2HB PHE 32 3.597 5.051 -7.974 252 HD1 PHE 32 HD2 PHE 32 3.080 3.789 -10.109 253 HD2 PHE 32 HD1 PHE 32 5.056 1.967 -6.757 254 HE1 PHE 32 HE2 PHE 32 2.533 1.542 -11.006 255 HE2 PHE 32 HE1 PHE 32 4.508 -0.279 -7.655 256 HZ PHE 32 HZ PHE 32 3.246 -0.491 -9.778 257 H TRP 33 H TRP 33 5.458 6.296 -6.387 258 HA TRP 33 HA TRP 33 5.356 8.937 -7.721 259 HB2 TRP 33 1HB TRP 33 5.047 9.675 -5.252 260 HB3 TRP 33 2HB TRP 33 3.738 8.782 -6.016 261 HD1 TRP 33 HD1 TRP 33 6.401 8.505 -3.336 262 HE1 TRP 33 HE1 TRP 33 6.015 6.338 -1.983 263 HE3 TRP 33 HE3 TRP 33 2.782 6.316 -6.190 264 HZ2 TRP 33 HZ2 TRP 33 4.399 3.999 -2.104 265 HZ3 TRP 33 HZ3 TRP 33 1.843 4.113 -5.558 266 HH2 TRP 33 HH2 TRP 33 2.640 2.948 -3.515 Start of MODEL 13 1 H1 ASN 1 1H ASN 1 -26.748 2.090 2.063 2 H2 ASN 1 2H ASN 1 -26.108 1.886 0.502 3 H3 ASN 1 3H ASN 1 -25.069 2.004 1.840 4 HA ASN 1 HA ASN 1 -27.053 -0.174 1.533 5 HB2 ASN 1 1HB ASN 1 -24.092 -0.351 0.942 6 HB3 ASN 1 2HB ASN 1 -25.339 -1.550 0.601 7 HD21 ASN 1 2HD2 ASN 1 -23.778 1.335 -0.602 8 HD22 ASN 1 1HD2 ASN 1 -24.679 1.465 -2.035 9 H GLU 2 H GLU 2 -25.804 -2.141 2.745 10 HA GLU 2 HA GLU 2 -25.615 -1.293 5.505 11 HB2 GLU 2 1HB GLU 2 -26.455 -3.543 4.726 12 HB3 GLU 2 2HB GLU 2 -24.788 -3.966 4.343 13 HG2 GLU 2 1HG GLU 2 -24.154 -3.515 6.704 14 HG3 GLU 2 2HG GLU 2 -25.844 -3.166 7.073 15 H LEU 3 H LEU 3 -23.162 -3.320 3.921 16 HA LEU 3 HA LEU 3 -21.010 -2.386 5.512 17 HB2 LEU 3 1HB LEU 3 -20.791 -3.349 2.653 18 HB3 LEU 3 2HB LEU 3 -19.534 -3.384 3.887 19 HG LEU 3 HG LEU 3 -22.018 -5.091 3.671 20 HD11 LEU 3 1HD1 LEU 3 -19.081 -5.655 4.162 21 HD12 LEU 3 2HD1 LEU 3 -19.936 -5.876 2.636 22 HD13 LEU 3 3HD1 LEU 3 -20.341 -6.883 4.026 23 HD21 LEU 3 3HD2 LEU 3 -21.343 -5.982 5.968 24 HD22 LEU 3 1HD2 LEU 3 -22.107 -4.393 5.973 25 HD23 LEU 3 2HD2 LEU 3 -20.357 -4.532 6.148 26 H ASP 4 H ASP 4 -19.157 -1.051 4.781 27 HA ASP 4 HA ASP 4 -20.001 1.442 3.635 28 HB2 ASP 4 1HB ASP 4 -17.334 0.238 4.294 29 HB3 ASP 4 2HB ASP 4 -17.445 1.795 3.490 30 H VAL 5 H VAL 5 -18.502 2.205 1.624 31 HA VAL 5 HA VAL 5 -18.962 0.121 -0.455 32 HB VAL 5 HB VAL 5 -19.185 3.094 -0.375 33 HG11 VAL 5 1HG1 VAL 5 -19.279 3.094 -2.897 34 HG12 VAL 5 2HG1 VAL 5 -18.593 1.469 -2.868 35 HG13 VAL 5 3HG1 VAL 5 -17.651 2.835 -2.253 36 HG21 VAL 5 3HG2 VAL 5 -21.304 2.636 -1.386 37 HG22 VAL 5 1HG2 VAL 5 -21.073 1.474 -0.073 38 HG23 VAL 5 2HG2 VAL 5 -20.830 0.975 -1.752 39 HA PRO 6 HA PRO 6 -14.609 1.404 -1.581 40 HB2 PRO 6 1HB PRO 6 -13.359 3.512 -0.583 41 HB3 PRO 6 2HB PRO 6 -14.756 3.760 -1.657 42 HG2 PRO 6 1HG PRO 6 -14.679 3.760 1.337 43 HG3 PRO 6 2HG PRO 6 -15.335 4.997 0.242 44 HD2 PRO 6 1HD PRO 6 -16.915 3.049 1.358 45 HD3 PRO 6 2HD PRO 6 -17.224 3.775 -0.225 46 H GLU 7 H GLU 7 -15.523 0.124 0.970 47 HA GLU 7 HA GLU 7 -13.622 0.328 3.020 48 HB2 GLU 7 1HB GLU 7 -15.841 -1.248 2.558 49 HB3 GLU 7 2HB GLU 7 -14.561 -2.449 2.442 50 HG2 GLU 7 1HG GLU 7 -13.675 -1.499 4.647 51 HG3 GLU 7 2HG GLU 7 -15.205 -0.631 4.764 52 H GLN 8 H GLN 8 -13.403 -1.538 -0.008 53 HA GLN 8 HA GLN 8 -11.087 -3.027 0.570 54 HB2 GLN 8 1HB GLN 8 -11.385 -1.594 -2.075 55 HB3 GLN 8 2HB GLN 8 -10.760 -3.215 -1.761 56 HG2 GLN 8 1HG GLN 8 -13.146 -3.749 -0.895 57 HG3 GLN 8 2HG GLN 8 -13.627 -2.269 -1.725 58 HE21 GLN 8 2HE2 GLN 8 -12.246 -5.511 -2.241 59 HE22 GLN 8 1HE2 GLN 8 -12.569 -5.568 -3.907 60 H VAL 9 H VAL 9 -11.368 0.335 -0.490 61 HA VAL 9 HA VAL 9 -8.732 1.145 -0.751 62 HB VAL 9 HB VAL 9 -10.914 2.605 0.757 63 HG11 VAL 9 1HG1 VAL 9 -9.609 4.607 -0.226 64 HG12 VAL 9 2HG1 VAL 9 -8.280 3.459 -0.388 65 HG13 VAL 9 3HG1 VAL 9 -8.975 3.790 1.206 66 HG21 VAL 9 3HG2 VAL 9 -11.794 2.029 -1.371 67 HG22 VAL 9 1HG2 VAL 9 -10.270 2.402 -2.182 68 HG23 VAL 9 2HG2 VAL 9 -11.252 3.705 -1.511 69 H ASP 10 H ASP 10 -10.527 1.688 2.241 70 HA ASP 10 HA ASP 10 -8.425 2.161 3.976 71 HB2 ASP 10 1HB ASP 10 -10.731 2.387 4.654 72 HB3 ASP 10 2HB ASP 10 -11.020 0.656 4.442 73 H LYS 11 H LYS 11 -9.562 -0.956 2.784 74 HA LYS 11 HA LYS 11 -7.759 -2.469 4.509 75 HB2 LYS 11 1HB LYS 11 -9.246 -3.301 2.002 76 HB3 LYS 11 2HB LYS 11 -8.392 -4.396 3.086 77 HG2 LYS 11 1HG LYS 11 -9.878 -3.734 4.930 78 HG3 LYS 11 2HG LYS 11 -10.729 -2.629 3.858 79 HD2 LYS 11 1HD LYS 11 -11.158 -4.676 2.358 80 HD3 LYS 11 2HD LYS 11 -10.645 -5.647 3.740 81 HE2 LYS 11 1HE LYS 11 -12.370 -4.317 5.106 82 HE3 LYS 11 2HE LYS 11 -13.001 -3.772 3.554 83 HZ1 LYS 11 3HZ LYS 11 -13.729 -5.842 3.012 84 HZ2 LYS 11 1HZ LYS 11 -13.887 -5.941 4.698 85 HZ3 LYS 11 2HZ LYS 11 -12.541 -6.637 3.930 86 H LEU 12 H LEU 12 -7.803 -1.325 1.165 87 HA LEU 12 HA LEU 12 -5.403 -2.512 0.260 88 HB2 LEU 12 1HB LEU 12 -6.693 0.088 -0.378 89 HB3 LEU 12 2HB LEU 12 -5.307 -0.505 -1.224 90 HG LEU 12 HG LEU 12 -8.090 -1.110 -1.670 91 HD11 LEU 12 1HD1 LEU 12 -6.467 -0.551 -3.384 92 HD12 LEU 12 2HD1 LEU 12 -7.171 -2.136 -3.716 93 HD13 LEU 12 3HD1 LEU 12 -5.556 -2.013 -3.005 94 HD21 LEU 12 3HD2 LEU 12 -7.622 -3.156 -0.234 95 HD22 LEU 12 1HD2 LEU 12 -6.398 -3.607 -1.421 96 HD23 LEU 12 2HD2 LEU 12 -8.089 -3.504 -1.889 97 H ILE 13 H ILE 13 -5.951 0.677 1.683 98 HA ILE 13 HA ILE 13 -3.406 1.664 1.930 99 HB ILE 13 HB ILE 13 -5.887 1.715 3.590 100 HG12 ILE 13 1HG1 ILE 13 -5.630 4.139 3.201 101 HG13 ILE 13 2HG1 ILE 13 -4.130 3.837 2.338 102 HG21 ILE 13 1HG2 ILE 13 -4.395 1.626 5.413 103 HG22 ILE 13 2HG2 ILE 13 -4.680 3.350 5.161 104 HG23 ILE 13 3HG2 ILE 13 -3.182 2.606 4.579 105 HD11 ILE 13 3HD1 ILE 13 -5.403 2.423 0.731 106 HD12 ILE 13 1HD1 ILE 13 -5.963 4.093 0.752 107 HD13 ILE 13 2HD1 ILE 13 -6.884 2.847 1.586 108 H GLN 14 H GLN 14 -4.936 -0.735 4.104 109 HA GLN 14 HA GLN 14 -2.772 -0.970 5.900 110 HB2 GLN 14 1HB GLN 14 -4.843 -3.027 5.114 111 HB3 GLN 14 2HB GLN 14 -3.758 -3.160 6.486 112 HG2 GLN 14 1HG GLN 14 -4.682 -0.890 7.248 113 HG3 GLN 14 2HG GLN 14 -5.954 -1.157 6.061 114 HE21 GLN 14 2HE2 GLN 14 -7.745 -1.685 7.359 115 HE22 GLN 14 1HE2 GLN 14 -7.753 -2.950 8.492 116 H GLN 15 H GLN 15 -3.495 -2.937 2.976 117 HA GLN 15 HA GLN 15 -0.965 -4.365 3.374 118 HB2 GLN 15 1HB GLN 15 -1.463 -5.616 1.394 119 HB3 GLN 15 2HB GLN 15 -2.968 -5.447 2.289 120 HG2 GLN 15 1HG GLN 15 -3.602 -4.949 0.089 121 HG3 GLN 15 2HG GLN 15 -3.362 -3.370 0.806 122 HE21 GLN 15 2HE2 GLN 15 -2.821 -2.368 -1.251 123 HE22 GLN 15 1HE2 GLN 15 -1.352 -2.699 -2.037 124 H ALA 16 H ALA 16 -1.806 -1.359 2.159 125 HA ALA 16 HA ALA 16 0.331 -1.209 0.115 126 HB1 ALA 16 3HB ALA 16 -1.876 0.100 0.046 127 HB2 ALA 16 1HB ALA 16 -0.413 1.057 -0.198 128 HB3 ALA 16 2HB ALA 16 -1.231 1.078 1.367 129 H THR 17 H THR 17 -0.269 -0.082 3.462 130 HA THR 17 HA THR 17 2.022 1.501 3.805 131 HB THR 17 HB THR 17 0.278 -0.166 5.573 132 HG1 THR 17 HG1 THR 17 -0.083 1.815 6.473 133 HG21 THR 17 3HG2 THR 17 2.999 0.864 6.359 134 HG22 THR 17 1HG2 THR 17 2.335 -0.752 6.587 135 HG23 THR 17 2HG2 THR 17 1.717 0.597 7.540 136 H SER 18 H SER 18 1.651 -2.021 3.826 137 HA SER 18 HA SER 18 4.327 -2.630 4.655 138 HB2 SER 18 1HB SER 18 3.776 -4.778 3.201 139 HB3 SER 18 2HB SER 18 2.922 -4.499 4.712 140 HG SER 18 HG SER 18 2.068 -3.929 2.070 141 H ILE 19 H ILE 19 2.846 -2.425 1.384 142 HA ILE 19 HA ILE 19 5.114 -2.812 -0.156 143 HB ILE 19 HB ILE 19 2.583 -1.230 -0.444 144 HG12 ILE 19 1HG1 ILE 19 2.568 -2.705 -2.611 145 HG13 ILE 19 2HG1 ILE 19 3.863 -3.577 -1.822 146 HG21 ILE 19 1HG2 ILE 19 4.953 -0.967 -2.273 147 HG22 ILE 19 2HG2 ILE 19 4.014 0.309 -1.498 148 HG23 ILE 19 3HG2 ILE 19 3.300 -0.636 -2.798 149 HD11 ILE 19 3HD1 ILE 19 1.044 -3.207 -0.871 150 HD12 ILE 19 1HD1 ILE 19 2.333 -3.755 0.202 151 HD13 ILE 19 2HD1 ILE 19 1.888 -4.719 -1.205 152 H GLU 20 H GLU 20 4.588 -0.333 2.141 153 HA GLU 20 HA GLU 20 6.167 1.735 0.886 154 HB2 GLU 20 1HB GLU 20 4.497 1.927 2.865 155 HB3 GLU 20 2HB GLU 20 5.850 1.423 3.871 156 HG2 GLU 20 1HG GLU 20 5.882 3.823 3.850 157 HG3 GLU 20 2HG GLU 20 7.196 3.298 2.798 158 H ARG 21 H ARG 21 6.983 -0.472 3.623 159 HA ARG 21 HA ARG 21 9.774 0.247 3.492 160 HB2 ARG 21 1HB ARG 21 9.833 -2.144 4.803 161 HB3 ARG 21 2HB ARG 21 9.392 -0.631 5.582 162 HG2 ARG 21 1HG ARG 21 7.267 -2.252 4.210 163 HG3 ARG 21 2HG ARG 21 7.816 -2.727 5.809 164 HD2 ARG 21 1HD ARG 21 7.107 0.157 5.387 165 HD3 ARG 21 2HD ARG 21 5.793 -1.013 5.515 166 HE ARG 21 HE ARG 21 7.372 -1.649 7.669 167 HH11 ARG 21 1HH2 ARG 21 6.044 1.268 6.396 168 HH12 ARG 21 2HH2 ARG 21 5.890 2.029 7.945 169 HH21 ARG 21 1HH1 ARG 21 7.177 -0.674 9.696 170 HH22 ARG 21 2HH1 ARG 21 6.531 0.929 9.814 171 H LEU 22 H LEU 22 7.824 -1.891 1.619 172 HA LEU 22 HA LEU 22 10.077 -3.587 0.763 173 HB2 LEU 22 1HB LEU 22 7.346 -3.322 -0.523 174 HB3 LEU 22 2HB LEU 22 8.491 -4.633 -0.715 175 HG LEU 22 HG LEU 22 6.807 -3.988 1.650 176 HD11 LEU 22 1HD1 LEU 22 6.267 -6.384 1.493 177 HD12 LEU 22 2HD1 LEU 22 7.394 -6.527 0.144 178 HD13 LEU 22 3HD1 LEU 22 5.939 -5.546 -0.024 179 HD21 LEU 22 3HD2 LEU 22 8.955 -4.271 2.686 180 HD22 LEU 22 1HD2 LEU 22 9.345 -5.622 1.620 181 HD23 LEU 22 2HD2 LEU 22 8.109 -5.808 2.862 182 H CYS 23 H CYS 23 7.881 -1.343 -0.940 183 HA CYS 23 HA CYS 23 9.187 -1.095 -3.367 184 HB2 CYS 23 1HB CYS 23 8.310 1.206 -3.459 185 HB3 CYS 23 2HB CYS 23 7.105 0.097 -2.824 186 HG CYS 23 HG CYS 23 8.647 1.300 -0.539 187 H GLN 24 H GLN 24 9.908 0.954 -0.500 188 HA GLN 24 HA GLN 24 12.093 2.351 -1.559 189 HB2 GLN 24 1HB GLN 24 11.425 1.363 1.215 190 HB3 GLN 24 2HB GLN 24 12.915 2.244 0.913 191 HG2 GLN 24 1HG GLN 24 11.738 4.184 0.166 192 HG3 GLN 24 2HG GLN 24 10.216 3.299 0.058 193 HE21 GLN 24 2HE2 GLN 24 9.549 5.212 1.574 194 HE22 GLN 24 1HE2 GLN 24 9.766 4.969 3.240 195 H HIS 25 H HIS 25 11.817 -0.976 -0.579 196 HA HIS 25 HA HIS 25 14.750 -1.418 -0.771 197 HB2 HIS 25 1HB HIS 25 13.012 -2.453 0.971 198 HB3 HIS 25 2HB HIS 25 12.749 -3.626 -0.307 199 HD1 HIS 25 HD1 HIS 25 15.224 -4.552 -1.337 200 HD2 HIS 25 HD2 HIS 25 15.091 -3.218 2.613 201 HE1 HIS 25 HE1 HIS 25 17.247 -5.542 -0.177 202 HE2 HIS 25 HE2 HIS 25 17.176 -4.737 2.227 203 H TYR 26 H TYR 26 11.840 -3.060 -1.993 204 HA TYR 26 HA TYR 26 12.940 -4.594 -4.006 205 HB2 TYR 26 1HB TYR 26 10.306 -3.164 -3.760 206 HB3 TYR 26 2HB TYR 26 10.676 -4.022 -5.252 207 HD1 TYR 26 HD2 TYR 26 10.828 -4.520 -1.534 208 HD2 TYR 26 HD1 TYR 26 10.141 -6.304 -5.381 209 HE1 TYR 26 HE2 TYR 26 10.234 -6.661 -0.435 210 HE2 TYR 26 HE1 TYR 26 9.549 -8.448 -4.281 211 HH TYR 26 HH TYR 26 9.258 -9.506 -2.356 212 H ILE 27 H ILE 27 11.400 -1.455 -4.908 213 HA ILE 27 HA ILE 27 13.083 -1.412 -7.295 214 HB ILE 27 HB ILE 27 10.727 -0.616 -7.387 215 HG12 ILE 27 1HG1 ILE 27 12.757 1.534 -7.994 216 HG13 ILE 27 2HG1 ILE 27 12.517 0.104 -8.978 217 HG21 ILE 27 1HG2 ILE 27 10.248 0.529 -5.418 218 HG22 ILE 27 2HG2 ILE 27 10.516 1.863 -6.533 219 HG23 ILE 27 3HG2 ILE 27 11.772 1.396 -5.415 220 HD11 ILE 27 3HD1 ILE 27 11.249 1.902 -9.966 221 HD12 ILE 27 1HD1 ILE 27 10.494 2.273 -8.418 222 HD13 ILE 27 2HD1 ILE 27 10.114 0.762 -9.245 223 H GLY 28 H GLY 28 13.102 0.129 -4.164 224 HA2 GLY 28 1HA GLY 28 15.333 0.919 -3.348 225 HA3 GLY 28 2HA GLY 28 15.584 1.629 -4.942 226 H TRP 29 H TRP 29 13.019 2.698 -5.352 227 HA TRP 29 HA TRP 29 12.743 4.745 -3.183 228 HB2 TRP 29 1HB TRP 29 12.407 6.437 -4.910 229 HB3 TRP 29 2HB TRP 29 13.941 5.617 -5.195 230 HD1 TRP 29 HD1 TRP 29 13.628 3.347 -6.890 231 HE1 TRP 29 HE1 TRP 29 12.353 3.267 -9.131 232 HE3 TRP 29 HE3 TRP 29 10.671 7.477 -6.377 233 HZ2 TRP 29 HZ2 TRP 29 10.376 4.759 -10.526 234 HZ3 TRP 29 HZ3 TRP 29 9.106 8.131 -8.186 235 HH2 TRP 29 HH2 TRP 29 8.954 6.776 -10.259 236 H CYS 30 H CYS 30 10.539 6.071 -4.365 237 HA CYS 30 HA CYS 30 8.433 4.036 -3.923 238 HB2 CYS 30 1HB CYS 30 6.993 6.215 -4.009 239 HB3 CYS 30 2HB CYS 30 8.032 5.936 -2.613 240 HG CYS 30 HG CYS 30 9.248 7.598 -4.929 241 HA PRO 31 HA PRO 31 8.064 4.239 -8.477 242 HB2 PRO 31 1HB PRO 31 6.462 2.042 -8.820 243 HB3 PRO 31 2HB PRO 31 8.216 1.949 -8.607 244 HG2 PRO 31 1HG PRO 31 6.052 1.382 -6.663 245 HG3 PRO 31 2HG PRO 31 7.660 0.653 -6.814 246 HD2 PRO 31 1HD PRO 31 6.948 2.601 -4.928 247 HD3 PRO 31 2HD PRO 31 8.606 2.203 -5.404 248 H PHE 32 H PHE 32 5.296 3.638 -6.328 249 HA PHE 32 HA PHE 32 3.391 4.762 -8.227 250 HB2 PHE 32 1HB PHE 32 3.195 3.674 -5.420 251 HB3 PHE 32 2HB PHE 32 1.830 4.449 -6.212 252 HD1 PHE 32 HD1 PHE 32 1.058 3.560 -8.477 253 HD2 PHE 32 HD2 PHE 32 3.759 1.418 -5.915 254 HE1 PHE 32 HE1 PHE 32 0.559 1.466 -9.704 255 HE2 PHE 32 HE2 PHE 32 3.258 -0.679 -7.142 256 HZ PHE 32 HZ PHE 32 1.658 -0.654 -9.037 257 H TRP 33 H TRP 33 3.949 5.597 -4.792 258 HA TRP 33 HA TRP 33 3.429 8.447 -5.485 259 HB2 TRP 33 1HB TRP 33 3.365 8.646 -2.927 260 HB3 TRP 33 2HB TRP 33 2.056 7.749 -3.683 261 HD1 TRP 33 HD1 TRP 33 5.116 7.322 -1.473 262 HE1 TRP 33 HE1 TRP 33 5.110 4.938 -0.484 263 HE3 TRP 33 HE3 TRP 33 1.272 5.275 -4.130 264 HZ2 TRP 33 HZ2 TRP 33 3.678 2.498 -0.788 265 HZ3 TRP 33 HZ3 TRP 33 0.613 2.915 -3.776 266 HH2 TRP 33 HH2 TRP 33 1.805 1.517 -2.101 Start of MODEL 14 1 H1 ASN 1 1H ASN 1 -26.505 4.737 1.946 2 H2 ASN 1 2H ASN 1 -25.240 4.697 0.813 3 H3 ASN 1 3H ASN 1 -24.909 4.500 2.468 4 HA ASN 1 HA ASN 1 -26.791 2.608 1.324 5 HB2 ASN 1 1HB ASN 1 -24.996 1.250 0.328 6 HB3 ASN 1 2HB ASN 1 -25.099 2.818 -0.474 7 HD21 ASN 1 2HD2 ASN 1 -23.670 4.554 0.992 8 HD22 ASN 1 1HD2 ASN 1 -22.086 4.016 1.276 9 H GLU 2 H GLU 2 -26.252 0.444 2.323 10 HA GLU 2 HA GLU 2 -25.879 0.686 5.131 11 HB2 GLU 2 1HB GLU 2 -25.423 -1.894 4.912 12 HB3 GLU 2 2HB GLU 2 -27.015 -1.266 4.502 13 HG2 GLU 2 1HG GLU 2 -24.919 -1.434 2.342 14 HG3 GLU 2 2HG GLU 2 -25.766 -2.900 2.831 15 H LEU 3 H LEU 3 -23.769 -1.691 3.735 16 HA LEU 3 HA LEU 3 -21.535 -1.203 5.301 17 HB2 LEU 3 1HB LEU 3 -21.347 -1.899 2.364 18 HB3 LEU 3 2HB LEU 3 -20.185 -2.286 3.631 19 HG LEU 3 HG LEU 3 -22.916 -3.482 3.147 20 HD11 LEU 3 1HD1 LEU 3 -20.950 -4.523 2.104 21 HD12 LEU 3 2HD1 LEU 3 -21.608 -5.575 3.357 22 HD13 LEU 3 3HD1 LEU 3 -20.158 -4.620 3.676 23 HD21 LEU 3 3HD2 LEU 3 -21.312 -3.488 5.723 24 HD22 LEU 3 1HD2 LEU 3 -22.535 -4.703 5.356 25 HD23 LEU 3 2HD2 LEU 3 -22.996 -3.009 5.507 26 H ASP 4 H ASP 4 -19.442 -0.192 4.736 27 HA ASP 4 HA ASP 4 -19.757 2.532 3.868 28 HB2 ASP 4 1HB ASP 4 -17.472 0.760 4.595 29 HB3 ASP 4 2HB ASP 4 -17.101 2.237 3.730 30 H VAL 5 H VAL 5 -18.060 3.199 2.018 31 HA VAL 5 HA VAL 5 -18.770 1.495 -0.321 32 HB VAL 5 HB VAL 5 -18.464 4.434 0.108 33 HG11 VAL 5 1HG1 VAL 5 -18.037 3.020 -2.545 34 HG12 VAL 5 2HG1 VAL 5 -16.877 4.075 -1.728 35 HG13 VAL 5 3HG1 VAL 5 -18.376 4.743 -2.386 36 HG21 VAL 5 3HG2 VAL 5 -20.560 4.479 -1.050 37 HG22 VAL 5 1HG2 VAL 5 -20.621 3.171 0.141 38 HG23 VAL 5 2HG2 VAL 5 -20.365 2.804 -1.571 39 HA PRO 6 HA PRO 6 -14.184 1.996 -1.003 40 HB2 PRO 6 1HB PRO 6 -12.651 3.738 0.250 41 HB3 PRO 6 2HB PRO 6 -13.881 4.322 -0.899 42 HG2 PRO 6 1HG PRO 6 -14.047 4.152 2.083 43 HG3 PRO 6 2HG PRO 6 -14.390 5.540 1.029 44 HD2 PRO 6 1HD PRO 6 -16.362 3.825 1.925 45 HD3 PRO 6 2HD PRO 6 -16.445 4.724 0.403 46 H GLU 7 H GLU 7 -14.955 0.067 0.482 47 HA GLU 7 HA GLU 7 -13.621 -0.042 3.081 48 HB2 GLU 7 1HB GLU 7 -15.667 -1.156 3.223 49 HB3 GLU 7 2HB GLU 7 -15.593 -1.710 1.552 50 HG2 GLU 7 1HG GLU 7 -14.072 -3.443 2.077 51 HG3 GLU 7 2HG GLU 7 -13.726 -2.770 3.669 52 H GLN 8 H GLN 8 -13.375 -1.751 -0.073 53 HA GLN 8 HA GLN 8 -11.177 -3.398 0.592 54 HB2 GLN 8 1HB GLN 8 -11.322 -1.991 -2.076 55 HB3 GLN 8 2HB GLN 8 -10.818 -3.646 -1.722 56 HG2 GLN 8 1HG GLN 8 -13.288 -3.938 -0.868 57 HG3 GLN 8 2HG GLN 8 -13.600 -2.501 -1.839 58 HE21 GLN 8 2HE2 GLN 8 -13.018 -5.921 -1.955 59 HE22 GLN 8 1HE2 GLN 8 -13.057 -6.084 -3.645 60 H VAL 9 H VAL 9 -11.359 -0.016 -0.292 61 HA VAL 9 HA VAL 9 -8.710 0.767 -0.587 62 HB VAL 9 HB VAL 9 -10.896 2.127 1.002 63 HG11 VAL 9 1HG1 VAL 9 -9.530 4.207 0.238 64 HG12 VAL 9 2HG1 VAL 9 -8.205 3.056 0.050 65 HG13 VAL 9 3HG1 VAL 9 -8.975 3.270 1.628 66 HG21 VAL 9 3HG2 VAL 9 -11.833 1.979 -1.109 67 HG22 VAL 9 1HG2 VAL 9 -10.266 1.987 -1.927 68 HG23 VAL 9 2HG2 VAL 9 -10.931 3.487 -1.278 69 H ASP 10 H ASP 10 -10.471 1.134 2.445 70 HA ASP 10 HA ASP 10 -8.387 1.490 4.217 71 HB2 ASP 10 1HB ASP 10 -10.654 1.661 4.962 72 HB3 ASP 10 2HB ASP 10 -11.008 -0.011 4.514 73 H LYS 11 H LYS 11 -9.529 -1.560 2.852 74 HA LYS 11 HA LYS 11 -7.681 -3.171 4.428 75 HB2 LYS 11 1HB LYS 11 -9.177 -3.834 1.878 76 HB3 LYS 11 2HB LYS 11 -8.311 -4.994 2.882 77 HG2 LYS 11 1HG LYS 11 -9.817 -4.252 4.802 78 HG3 LYS 11 2HG LYS 11 -10.787 -3.412 3.589 79 HD2 LYS 11 1HD LYS 11 -10.876 -5.644 2.328 80 HD3 LYS 11 2HD LYS 11 -10.246 -6.380 3.804 81 HE2 LYS 11 1HE LYS 11 -12.183 -5.206 5.017 82 HE3 LYS 11 2HE LYS 11 -12.860 -4.923 3.414 83 HZ1 LYS 11 3HZ LYS 11 -12.434 -7.437 3.115 84 HZ2 LYS 11 1HZ LYS 11 -13.792 -6.928 3.992 85 HZ3 LYS 11 2HZ LYS 11 -12.408 -7.472 4.813 86 H LEU 12 H LEU 12 -7.774 -1.799 1.171 87 HA LEU 12 HA LEU 12 -5.374 -2.899 0.164 88 HB2 LEU 12 1HB LEU 12 -6.668 -0.258 -0.276 89 HB3 LEU 12 2HB LEU 12 -5.297 -0.802 -1.176 90 HG LEU 12 HG LEU 12 -8.090 -1.365 -1.622 91 HD11 LEU 12 1HD1 LEU 12 -6.495 -0.685 -3.318 92 HD12 LEU 12 2HD1 LEU 12 -7.205 -2.245 -3.749 93 HD13 LEU 12 3HD1 LEU 12 -5.579 -2.170 -3.058 94 HD21 LEU 12 3HD2 LEU 12 -6.392 -3.871 -1.573 95 HD22 LEU 12 1HD2 LEU 12 -8.088 -3.739 -2.016 96 HD23 LEU 12 2HD2 LEU 12 -7.606 -3.508 -0.346 97 H ILE 13 H ILE 13 -5.920 0.192 1.790 98 HA ILE 13 HA ILE 13 -3.378 1.155 2.106 99 HB ILE 13 HB ILE 13 -5.858 1.103 3.768 100 HG12 ILE 13 1HG1 ILE 13 -5.602 3.551 3.518 101 HG13 ILE 13 2HG1 ILE 13 -4.111 3.298 2.625 102 HG21 ILE 13 1HG2 ILE 13 -4.360 0.920 5.581 103 HG22 ILE 13 2HG2 ILE 13 -4.644 2.657 5.423 104 HG23 ILE 13 3HG2 ILE 13 -3.150 1.943 4.795 105 HD11 ILE 13 3HD1 ILE 13 -5.390 1.984 0.948 106 HD12 ILE 13 1HD1 ILE 13 -5.981 3.638 1.083 107 HD13 ILE 13 2HD1 ILE 13 -6.866 2.325 1.849 108 H GLN 14 H GLN 14 -4.915 -1.281 4.251 109 HA GLN 14 HA GLN 14 -2.805 -1.646 6.028 110 HB2 GLN 14 1HB GLN 14 -4.720 -3.722 4.950 111 HB3 GLN 14 2HB GLN 14 -3.673 -3.945 6.340 112 HG2 GLN 14 1HG GLN 14 -4.730 -1.949 7.408 113 HG3 GLN 14 2HG GLN 14 -5.863 -1.899 6.063 114 HE21 GLN 14 2HE2 GLN 14 -7.795 -2.574 7.062 115 HE22 GLN 14 1HE2 GLN 14 -7.969 -4.057 7.870 116 H GLN 15 H GLN 15 -3.323 -3.335 2.920 117 HA GLN 15 HA GLN 15 -0.739 -4.683 3.223 118 HB2 GLN 15 1HB GLN 15 -1.118 -5.345 0.794 119 HB3 GLN 15 2HB GLN 15 -2.329 -5.902 1.942 120 HG2 GLN 15 1HG GLN 15 -3.795 -4.052 1.335 121 HG3 GLN 15 2HG GLN 15 -2.581 -3.438 0.209 122 HE21 GLN 15 2HE2 GLN 15 -4.222 -3.780 -1.546 123 HE22 GLN 15 1HE2 GLN 15 -4.463 -5.342 -2.167 124 H ALA 16 H ALA 16 -1.963 -1.831 1.573 125 HA ALA 16 HA ALA 16 0.298 -1.271 -0.064 126 HB1 ALA 16 3HB ALA 16 -0.636 0.863 -0.327 127 HB2 ALA 16 1HB ALA 16 -1.217 0.932 1.339 128 HB3 ALA 16 2HB ALA 16 -2.045 -0.082 0.157 129 H THR 17 H THR 17 -0.320 -0.554 3.380 130 HA THR 17 HA THR 17 1.886 1.133 3.847 131 HB THR 17 HB THR 17 0.188 -0.703 5.484 132 HG1 THR 17 HG1 THR 17 -0.095 1.631 4.922 133 HG21 THR 17 3HG2 THR 17 1.582 0.076 7.511 134 HG22 THR 17 1HG2 THR 17 2.872 0.355 6.340 135 HG23 THR 17 2HG2 THR 17 2.205 -1.264 6.548 136 H SER 18 H SER 18 1.705 -2.444 3.944 137 HA SER 18 HA SER 18 4.435 -2.823 4.684 138 HB2 SER 18 1HB SER 18 4.002 -5.068 3.322 139 HB3 SER 18 2HB SER 18 3.215 -4.796 4.869 140 HG SER 18 HG SER 18 1.975 -3.815 2.575 141 H ILE 19 H ILE 19 2.864 -2.689 1.468 142 HA ILE 19 HA ILE 19 5.117 -3.077 -0.129 143 HB ILE 19 HB ILE 19 2.563 -1.511 -0.396 144 HG12 ILE 19 1HG1 ILE 19 2.431 -3.111 -2.452 145 HG13 ILE 19 2HG1 ILE 19 3.762 -3.954 -1.692 146 HG21 ILE 19 1HG2 ILE 19 3.975 -0.067 -1.600 147 HG22 ILE 19 2HG2 ILE 19 3.249 -1.103 -2.824 148 HG23 ILE 19 3HG2 ILE 19 4.902 -1.400 -2.282 149 HD11 ILE 19 3HD1 ILE 19 2.389 -4.142 0.388 150 HD12 ILE 19 1HD1 ILE 19 1.706 -4.999 -0.990 151 HD13 ILE 19 2HD1 ILE 19 1.040 -3.441 -0.507 152 H GLU 20 H GLU 20 4.509 -0.555 2.116 153 HA GLU 20 HA GLU 20 5.978 1.534 0.765 154 HB2 GLU 20 1HB GLU 20 4.297 1.675 2.777 155 HB3 GLU 20 2HB GLU 20 5.727 1.396 3.764 156 HG2 GLU 20 1HG GLU 20 6.815 3.317 2.444 157 HG3 GLU 20 2HG GLU 20 5.189 3.689 1.872 158 H ARG 21 H ARG 21 6.934 -0.505 3.594 159 HA ARG 21 HA ARG 21 9.658 0.387 3.454 160 HB2 ARG 21 1HB ARG 21 9.889 -2.015 4.752 161 HB3 ARG 21 2HB ARG 21 9.403 -0.522 5.538 162 HG2 ARG 21 1HG ARG 21 7.259 -2.171 4.241 163 HG3 ARG 21 2HG ARG 21 7.940 -2.750 5.752 164 HD2 ARG 21 1HD ARG 21 7.437 -0.574 6.816 165 HD3 ARG 21 2HD ARG 21 6.722 -0.007 5.313 166 HE ARG 21 HE ARG 21 4.815 -1.338 5.765 167 HH11 ARG 21 1HH2 ARG 21 7.494 -2.107 7.797 168 HH12 ARG 21 2HH2 ARG 21 6.576 -3.141 8.840 169 HH21 ARG 21 1HH1 ARG 21 3.602 -2.681 7.116 170 HH22 ARG 21 2HH1 ARG 21 4.372 -3.467 8.454 171 H LEU 22 H LEU 22 7.904 -1.877 1.540 172 HA LEU 22 HA LEU 22 10.300 -3.395 0.731 173 HB2 LEU 22 1HB LEU 22 7.574 -3.346 -0.595 174 HB3 LEU 22 2HB LEU 22 8.829 -4.550 -0.795 175 HG LEU 22 HG LEU 22 7.069 -4.089 1.557 176 HD11 LEU 22 1HD1 LEU 22 6.358 -5.694 -0.140 177 HD12 LEU 22 2HD1 LEU 22 6.752 -6.523 1.365 178 HD13 LEU 22 3HD1 LEU 22 7.896 -6.541 0.023 179 HD21 LEU 22 3HD2 LEU 22 8.505 -5.801 2.770 180 HD22 LEU 22 1HD2 LEU 22 9.218 -4.196 2.623 181 HD23 LEU 22 2HD2 LEU 22 9.740 -5.496 1.551 182 H CYS 23 H CYS 23 7.961 -1.434 -1.127 183 HA CYS 23 HA CYS 23 9.389 -1.056 -3.467 184 HB2 CYS 23 1HB CYS 23 7.489 0.652 -1.910 185 HB3 CYS 23 2HB CYS 23 8.331 1.404 -3.260 186 HG CYS 23 HG CYS 23 7.263 -1.157 -4.293 187 H GLN 24 H GLN 24 9.592 1.218 -0.692 188 HA GLN 24 HA GLN 24 11.635 2.854 -1.580 189 HB2 GLN 24 1HB GLN 24 11.080 1.748 1.181 190 HB3 GLN 24 2HB GLN 24 12.263 3.011 0.875 191 HG2 GLN 24 1HG GLN 24 10.547 4.457 -0.078 192 HG3 GLN 24 2HG GLN 24 9.344 3.178 0.092 193 HE21 GLN 24 2HE2 GLN 24 11.142 2.709 2.774 194 HE22 GLN 24 1HE2 GLN 24 10.351 3.740 3.865 195 H HIS 25 H HIS 25 11.879 -0.453 -0.402 196 HA HIS 25 HA HIS 25 14.846 -0.369 -0.546 197 HB2 HIS 25 1HB HIS 25 13.304 -1.570 1.264 198 HB3 HIS 25 2HB HIS 25 13.272 -2.862 0.078 199 HD1 HIS 25 HD1 HIS 25 15.851 -0.716 1.903 200 HD2 HIS 25 HD2 HIS 25 15.506 -4.498 0.180 201 HE1 HIS 25 HE1 HIS 25 18.017 -1.933 2.407 202 HE2 HIS 25 HE2 HIS 25 17.816 -4.236 1.363 203 H TYR 26 H TYR 26 12.311 -2.599 -1.656 204 HA TYR 26 HA TYR 26 13.638 -4.106 -3.516 205 HB2 TYR 26 1HB TYR 26 10.856 -3.010 -3.391 206 HB3 TYR 26 2HB TYR 26 11.344 -3.769 -4.902 207 HD1 TYR 26 HD1 TYR 26 11.247 -4.334 -1.203 208 HD2 TYR 26 HD2 TYR 26 11.335 -6.121 -5.109 209 HE1 TYR 26 HE1 TYR 26 10.882 -6.568 -0.192 210 HE2 TYR 26 HE2 TYR 26 10.970 -8.354 -4.096 211 HH TYR 26 HH TYR 26 11.246 -8.910 -0.728 212 H ILE 27 H ILE 27 11.811 -1.251 -4.723 213 HA ILE 27 HA ILE 27 13.604 -1.176 -7.038 214 HB ILE 27 HB ILE 27 11.175 -0.766 -7.304 215 HG12 ILE 27 1HG1 ILE 27 12.825 1.657 -7.979 216 HG13 ILE 27 2HG1 ILE 27 12.930 0.142 -8.854 217 HG21 ILE 27 1HG2 ILE 27 10.394 1.565 -6.660 218 HG22 ILE 27 2HG2 ILE 27 11.774 1.633 -5.586 219 HG23 ILE 27 3HG2 ILE 27 10.544 0.402 -5.350 220 HD11 ILE 27 3HD1 ILE 27 10.546 1.978 -8.625 221 HD12 ILE 27 1HD1 ILE 27 10.419 0.326 -9.228 222 HD13 ILE 27 2HD1 ILE 27 11.407 1.506 -10.088 223 H GLY 28 H GLY 28 13.157 0.639 -4.078 224 HA2 GLY 28 1HA GLY 28 15.213 1.791 -3.212 225 HA3 GLY 28 2HA GLY 28 15.466 2.399 -4.847 226 H TRP 29 H TRP 29 12.823 3.073 -5.491 227 HA TRP 29 HA TRP 29 12.160 5.239 -3.524 228 HB2 TRP 29 1HB TRP 29 11.650 6.696 -5.423 229 HB3 TRP 29 2HB TRP 29 13.301 6.093 -5.576 230 HD1 TRP 29 HD1 TRP 29 13.421 3.672 -7.050 231 HE1 TRP 29 HE1 TRP 29 12.263 3.171 -9.299 232 HE3 TRP 29 HE3 TRP 29 9.824 7.293 -7.024 233 HZ2 TRP 29 HZ2 TRP 29 10.133 4.181 -10.885 234 HZ3 TRP 29 HZ3 TRP 29 8.248 7.508 -8.927 235 HH2 TRP 29 HH2 TRP 29 8.396 5.953 -10.857 236 H CYS 30 H CYS 30 9.824 6.124 -4.800 237 HA CYS 30 HA CYS 30 8.026 3.850 -4.240 238 HB2 CYS 30 1HB CYS 30 6.287 5.758 -4.623 239 HB3 CYS 30 2HB CYS 30 7.295 5.809 -3.178 240 HG CYS 30 HG CYS 30 8.668 7.304 -5.405 241 HA PRO 31 HA PRO 31 7.847 3.505 -8.795 242 HB2 PRO 31 1HB PRO 31 6.612 1.059 -8.934 243 HB3 PRO 31 2HB PRO 31 8.349 1.263 -8.673 244 HG2 PRO 31 1HG PRO 31 6.233 0.542 -6.736 245 HG3 PRO 31 2HG PRO 31 7.950 0.106 -6.752 246 HD2 PRO 31 1HD PRO 31 6.784 2.100 -5.135 247 HD3 PRO 31 2HD PRO 31 8.515 1.914 -5.456 248 H PHE 32 H PHE 32 5.135 2.781 -6.634 249 HA PHE 32 HA PHE 32 3.127 3.295 -8.675 250 HB2 PHE 32 1HB PHE 32 3.110 2.622 -5.749 251 HB3 PHE 32 2HB PHE 32 1.657 3.319 -6.455 252 HD1 PHE 32 HD2 PHE 32 4.070 1.058 -8.194 253 HD2 PHE 32 HD1 PHE 32 0.193 1.445 -6.380 254 HE1 PHE 32 HE2 PHE 32 3.426 -1.154 -9.098 255 HE2 PHE 32 HE1 PHE 32 -0.448 -0.770 -7.288 256 HZ PHE 32 HZ PHE 32 1.168 -2.070 -8.646 257 H TRP 33 H TRP 33 3.655 4.876 -5.505 258 HA TRP 33 HA TRP 33 2.631 7.412 -6.638 259 HB2 TRP 33 1HB TRP 33 3.041 8.097 -4.121 260 HB3 TRP 33 2HB TRP 33 1.670 7.069 -4.534 261 HD1 TRP 33 HD1 TRP 33 5.034 7.031 -2.797 262 HE1 TRP 33 HE1 TRP 33 5.321 4.780 -1.561 263 HE3 TRP 33 HE3 TRP 33 0.980 4.518 -4.598 264 HZ2 TRP 33 HZ2 TRP 33 4.009 2.258 -1.374 265 HZ3 TRP 33 HZ3 TRP 33 0.524 2.190 -3.890 266 HH2 TRP 33 HH2 TRP 33 2.028 1.051 -2.273 Start of MODEL 15 1 H1 ASN 1 1H ASN 1 -23.961 -0.112 -2.761 2 H2 ASN 1 2H ASN 1 -23.038 -0.934 -1.596 3 H3 ASN 1 3H ASN 1 -23.380 0.718 -1.402 4 HA ASN 1 HA ASN 1 -25.851 -0.183 -1.555 5 HB2 ASN 1 1HB ASN 1 -25.938 -2.302 -0.228 6 HB3 ASN 1 2HB ASN 1 -25.189 -2.516 -1.811 7 HD21 ASN 1 2HD2 ASN 1 -23.057 -0.760 0.117 8 HD22 ASN 1 1HD2 ASN 1 -22.091 -2.041 0.670 9 H GLU 2 H GLU 2 -25.287 -1.595 1.306 10 HA GLU 2 HA GLU 2 -25.655 0.898 2.779 11 HB2 GLU 2 1HB GLU 2 -26.732 -1.361 3.332 12 HB3 GLU 2 2HB GLU 2 -25.157 -1.834 3.970 13 HG2 GLU 2 1HG GLU 2 -25.191 0.022 5.550 14 HG3 GLU 2 2HG GLU 2 -26.701 0.619 4.862 15 H LEU 3 H LEU 3 -23.283 -1.745 3.152 16 HA LEU 3 HA LEU 3 -21.436 -0.517 4.824 17 HB2 LEU 3 1HB LEU 3 -20.632 -2.069 2.354 18 HB3 LEU 3 2HB LEU 3 -19.727 -1.904 3.858 19 HG LEU 3 HG LEU 3 -22.246 -3.492 3.340 20 HD11 LEU 3 1HD1 LEU 3 -20.059 -4.573 3.021 21 HD12 LEU 3 2HD1 LEU 3 -20.890 -5.262 4.417 22 HD13 LEU 3 3HD1 LEU 3 -19.582 -4.100 4.651 23 HD21 LEU 3 3HD2 LEU 3 -22.798 -2.332 5.374 24 HD22 LEU 3 1HD2 LEU 3 -21.158 -2.517 6.000 25 HD23 LEU 3 2HD2 LEU 3 -22.214 -3.922 5.860 26 H ASP 4 H ASP 4 -19.264 0.439 4.207 27 HA ASP 4 HA ASP 4 -19.605 2.762 2.576 28 HB2 ASP 4 1HB ASP 4 -17.230 1.370 3.761 29 HB3 ASP 4 2HB ASP 4 -17.007 2.739 2.687 30 H VAL 5 H VAL 5 -17.878 3.014 0.675 31 HA VAL 5 HA VAL 5 -18.355 0.680 -1.112 32 HB VAL 5 HB VAL 5 -18.267 3.635 -1.480 33 HG11 VAL 5 1HG1 VAL 5 -18.094 3.265 -3.973 34 HG12 VAL 5 2HG1 VAL 5 -17.574 1.616 -3.634 35 HG13 VAL 5 3HG1 VAL 5 -16.579 2.980 -3.106 36 HG21 VAL 5 3HG2 VAL 5 -20.333 2.234 -1.187 37 HG22 VAL 5 1HG2 VAL 5 -19.967 1.494 -2.752 38 HG23 VAL 5 2HG2 VAL 5 -20.306 3.223 -2.656 39 HA PRO 6 HA PRO 6 -13.806 1.381 -1.924 40 HB2 PRO 6 1HB PRO 6 -12.436 3.478 -1.071 41 HB3 PRO 6 2HB PRO 6 -13.692 3.712 -2.311 42 HG2 PRO 6 1HG PRO 6 -13.893 4.099 0.653 43 HG3 PRO 6 2HG PRO 6 -14.304 5.241 -0.649 44 HD2 PRO 6 1HD PRO 6 -16.188 3.624 0.514 45 HD3 PRO 6 2HD PRO 6 -16.262 4.152 -1.173 46 H GLU 7 H GLU 7 -15.100 0.598 0.687 47 HA GLU 7 HA GLU 7 -13.329 0.888 2.853 48 HB2 GLU 7 1HB GLU 7 -15.682 -0.574 2.349 49 HB3 GLU 7 2HB GLU 7 -14.505 -1.827 2.726 50 HG2 GLU 7 1HG GLU 7 -15.005 0.620 4.451 51 HG3 GLU 7 2HG GLU 7 -15.734 -0.961 4.734 52 H GLN 8 H GLN 8 -13.160 -1.383 0.124 53 HA GLN 8 HA GLN 8 -11.086 -3.040 1.061 54 HB2 GLN 8 1HB GLN 8 -11.047 -1.965 -1.762 55 HB3 GLN 8 2HB GLN 8 -10.656 -3.589 -1.190 56 HG2 GLN 8 1HG GLN 8 -13.143 -3.695 -0.437 57 HG3 GLN 8 2HG GLN 8 -13.371 -2.310 -1.505 58 HE21 GLN 8 2HE2 GLN 8 -12.396 -5.739 -1.443 59 HE22 GLN 8 1HE2 GLN 8 -12.629 -6.007 -3.103 60 H VAL 9 H VAL 9 -10.895 0.174 -0.416 61 HA VAL 9 HA VAL 9 -8.166 0.620 -0.588 62 HB VAL 9 HB VAL 9 -10.220 2.513 0.571 63 HG11 VAL 9 1HG1 VAL 9 -8.586 4.194 -0.551 64 HG12 VAL 9 2HG1 VAL 9 -7.416 2.879 -0.424 65 HG13 VAL 9 3HG1 VAL 9 -8.189 3.521 1.033 66 HG21 VAL 9 3HG2 VAL 9 -9.395 1.877 -2.262 67 HG22 VAL 9 1HG2 VAL 9 -10.271 3.345 -1.828 68 HG23 VAL 9 2HG2 VAL 9 -11.007 1.763 -1.549 69 H ASP 10 H ASP 10 -10.033 1.742 2.186 70 HA ASP 10 HA ASP 10 -8.006 2.168 4.020 71 HB2 ASP 10 1HB ASP 10 -10.278 2.734 4.520 72 HB3 ASP 10 2HB ASP 10 -10.799 1.052 4.398 73 H LYS 11 H LYS 11 -9.367 -0.926 3.029 74 HA LYS 11 HA LYS 11 -7.838 -2.421 5.040 75 HB2 LYS 11 1HB LYS 11 -9.335 -3.381 2.582 76 HB3 LYS 11 2HB LYS 11 -8.658 -4.421 3.830 77 HG2 LYS 11 1HG LYS 11 -10.117 -3.286 5.504 78 HG3 LYS 11 2HG LYS 11 -10.849 -2.360 4.198 79 HD2 LYS 11 1HD LYS 11 -11.349 -4.638 3.095 80 HD3 LYS 11 2HD LYS 11 -10.970 -5.342 4.668 81 HE2 LYS 11 1HE LYS 11 -12.662 -3.648 5.629 82 HE3 LYS 11 2HE LYS 11 -13.194 -3.429 3.961 83 HZ1 LYS 11 3HZ LYS 11 -13.845 -5.647 3.804 84 HZ2 LYS 11 1HZ LYS 11 -14.374 -5.180 5.347 85 HZ3 LYS 11 2HZ LYS 11 -12.963 -6.112 5.179 86 H LEU 12 H LEU 12 -7.628 -1.626 1.602 87 HA LEU 12 HA LEU 12 -5.362 -3.187 0.953 88 HB2 LEU 12 1HB LEU 12 -6.293 -0.539 -0.008 89 HB3 LEU 12 2HB LEU 12 -4.944 -1.366 -0.705 90 HG LEU 12 HG LEU 12 -7.738 -1.689 -1.292 91 HD11 LEU 12 1HD1 LEU 12 -5.257 -3.053 -2.299 92 HD12 LEU 12 2HD1 LEU 12 -5.957 -1.557 -2.926 93 HD13 LEU 12 3HD1 LEU 12 -6.821 -3.085 -3.119 94 HD21 LEU 12 3HD2 LEU 12 -8.054 -4.068 -1.238 95 HD22 LEU 12 1HD2 LEU 12 -7.641 -3.589 0.399 96 HD23 LEU 12 2HD2 LEU 12 -6.426 -4.337 -0.634 97 H ILE 13 H ILE 13 -5.580 0.186 1.995 98 HA ILE 13 HA ILE 13 -2.979 0.935 2.308 99 HB ILE 13 HB ILE 13 -5.505 1.366 3.836 100 HG12 ILE 13 1HG1 ILE 13 -5.005 3.708 3.249 101 HG13 ILE 13 2HG1 ILE 13 -3.497 3.199 2.505 102 HG21 ILE 13 1HG2 ILE 13 -4.100 1.303 5.733 103 HG22 ILE 13 2HG2 ILE 13 -4.216 3.017 5.322 104 HG23 ILE 13 3HG2 ILE 13 -2.770 2.095 4.881 105 HD11 ILE 13 3HD1 ILE 13 -5.234 3.473 0.805 106 HD12 ILE 13 1HD1 ILE 13 -6.283 2.368 1.683 107 HD13 ILE 13 2HD1 ILE 13 -4.799 1.772 0.944 108 H GLN 14 H GLN 14 -4.817 -1.048 4.652 109 HA GLN 14 HA GLN 14 -2.785 -1.346 6.563 110 HB2 GLN 14 1HB GLN 14 -4.931 -3.321 5.760 111 HB3 GLN 14 2HB GLN 14 -3.965 -3.415 7.218 112 HG2 GLN 14 1HG GLN 14 -4.788 -1.125 7.841 113 HG3 GLN 14 2HG GLN 14 -5.896 -1.228 6.477 114 HE21 GLN 14 2HE2 GLN 14 -7.894 -1.463 7.586 115 HE22 GLN 14 1HE2 GLN 14 -8.229 -2.747 8.645 116 H GLN 15 H GLN 15 -3.497 -3.442 3.742 117 HA GLN 15 HA GLN 15 -1.004 -4.930 4.291 118 HB2 GLN 15 1HB GLN 15 -1.592 -6.248 2.263 119 HB3 GLN 15 2HB GLN 15 -2.867 -6.230 3.472 120 HG2 GLN 15 1HG GLN 15 -3.976 -5.855 1.418 121 HG3 GLN 15 2HG GLN 15 -3.861 -4.280 2.185 122 HE21 GLN 15 2HE2 GLN 15 -3.710 -2.956 0.290 123 HE22 GLN 15 1HE2 GLN 15 -2.444 -3.089 -0.833 124 H ALA 16 H ALA 16 -1.580 -2.000 3.041 125 HA ALA 16 HA ALA 16 0.266 -2.186 0.726 126 HB1 ALA 16 3HB ALA 16 -0.794 0.401 1.830 127 HB2 ALA 16 1HB ALA 16 -1.901 -0.697 1.007 128 HB3 ALA 16 2HB ALA 16 -0.494 -0.060 0.154 129 H THR 17 H THR 17 0.186 -1.018 4.071 130 HA THR 17 HA THR 17 2.480 0.567 4.148 131 HB THR 17 HB THR 17 1.054 -1.227 6.066 132 HG1 THR 17 HG1 THR 17 0.302 0.764 6.112 133 HG21 THR 17 3HG2 THR 17 3.222 -1.805 6.772 134 HG22 THR 17 1HG2 THR 17 2.764 -0.472 7.829 135 HG23 THR 17 2HG2 THR 17 3.850 -0.187 6.468 136 H SER 18 H SER 18 2.197 -2.969 4.051 137 HA SER 18 HA SER 18 5.002 -3.501 4.438 138 HB2 SER 18 1HB SER 18 4.277 -5.705 3.204 139 HB3 SER 18 2HB SER 18 3.634 -5.371 4.806 140 HG SER 18 HG SER 18 2.350 -5.591 2.441 141 H ILE 19 H ILE 19 2.939 -3.237 1.534 142 HA ILE 19 HA ILE 19 4.868 -3.734 -0.423 143 HB ILE 19 HB ILE 19 2.337 -2.137 -0.235 144 HG12 ILE 19 1HG1 ILE 19 1.877 -3.680 -2.309 145 HG13 ILE 19 2HG1 ILE 19 3.293 -4.553 -1.755 146 HG21 ILE 19 1HG2 ILE 19 4.294 -1.943 -2.506 147 HG22 ILE 19 2HG2 ILE 19 3.518 -0.642 -1.606 148 HG23 ILE 19 3HG2 ILE 19 2.569 -1.629 -2.712 149 HD11 ILE 19 3HD1 ILE 19 0.651 -4.195 -0.394 150 HD12 ILE 19 1HD1 ILE 19 2.092 -4.514 0.571 151 HD13 ILE 19 2HD1 ILE 19 1.577 -5.672 -0.652 152 H GLU 20 H GLU 20 4.283 -0.874 1.543 153 HA GLU 20 HA GLU 20 5.843 1.010 0.110 154 HB2 GLU 20 1HB GLU 20 4.365 1.266 2.273 155 HB3 GLU 20 2HB GLU 20 5.865 0.928 3.129 156 HG2 GLU 20 1HG GLU 20 6.953 2.784 1.827 157 HG3 GLU 20 2HG GLU 20 5.370 3.176 1.154 158 H ARG 21 H ARG 21 6.804 -1.293 2.656 159 HA ARG 21 HA ARG 21 9.570 -0.579 2.698 160 HB2 ARG 21 1HB ARG 21 8.015 -3.051 3.457 161 HB3 ARG 21 2HB ARG 21 9.775 -3.060 3.518 162 HG2 ARG 21 1HG ARG 21 8.669 -2.430 5.698 163 HG3 ARG 21 2HG ARG 21 9.804 -1.226 5.088 164 HD2 ARG 21 1HD ARG 21 8.052 0.186 4.314 165 HD3 ARG 21 2HD ARG 21 6.847 -1.092 4.480 166 HE ARG 21 HE ARG 21 7.851 0.617 6.635 167 HH11 ARG 21 1HH2 ARG 21 6.392 -2.362 5.700 168 HH12 ARG 21 2HH2 ARG 21 5.632 -2.626 7.234 169 HH21 ARG 21 1HH1 ARG 21 6.867 0.291 8.646 170 HH22 ARG 21 2HH1 ARG 21 5.902 -1.124 8.902 171 H LEU 22 H LEU 22 7.798 -3.060 0.836 172 HA LEU 22 HA LEU 22 10.051 -4.132 -0.544 173 HB2 LEU 22 1HB LEU 22 7.270 -3.788 -1.686 174 HB3 LEU 22 2HB LEU 22 8.461 -4.980 -2.142 175 HG LEU 22 HG LEU 22 6.844 -4.842 0.348 176 HD11 LEU 22 1HD1 LEU 22 5.956 -6.114 -1.536 177 HD12 LEU 22 2HD1 LEU 22 6.404 -7.207 -0.225 178 HD13 LEU 22 3HD1 LEU 22 7.459 -7.031 -1.627 179 HD21 LEU 22 3HD2 LEU 22 9.440 -6.325 -0.060 180 HD22 LEU 22 1HD2 LEU 22 8.262 -6.799 1.162 181 HD23 LEU 22 2HD2 LEU 22 9.033 -5.218 1.250 182 H CYS 23 H CYS 23 8.332 -1.150 -0.881 183 HA CYS 23 HA CYS 23 9.403 -0.604 -3.570 184 HB2 CYS 23 1HB CYS 23 7.729 0.975 -1.611 185 HB3 CYS 23 2HB CYS 23 8.293 1.643 -3.135 186 HG CYS 23 HG CYS 23 6.906 -0.180 -4.400 187 H GLN 24 H GLN 24 9.543 1.279 -0.525 188 HA GLN 24 HA GLN 24 11.657 2.942 -1.175 189 HB2 GLN 24 1HB GLN 24 10.865 1.671 1.447 190 HB3 GLN 24 2HB GLN 24 12.149 2.867 1.335 191 HG2 GLN 24 1HG GLN 24 10.628 4.515 0.415 192 HG3 GLN 24 2HG GLN 24 9.337 3.317 0.311 193 HE21 GLN 24 2HE2 GLN 24 9.921 2.079 2.932 194 HE22 GLN 24 1HE2 GLN 24 9.438 3.200 4.111 195 H HIS 25 H HIS 25 11.765 -0.469 -0.582 196 HA HIS 25 HA HIS 25 14.702 -0.452 -0.200 197 HB2 HIS 25 1HB HIS 25 12.940 -1.957 1.047 198 HB3 HIS 25 2HB HIS 25 13.021 -2.951 -0.395 199 HD1 HIS 25 HD1 HIS 25 15.218 -4.235 -0.853 200 HD2 HIS 25 HD2 HIS 25 15.355 -1.898 2.600 201 HE1 HIS 25 HE1 HIS 25 17.312 -4.925 0.399 202 HE2 HIS 25 HE2 HIS 25 17.405 -3.508 2.501 203 H TYR 26 H TYR 26 12.561 -2.521 -2.140 204 HA TYR 26 HA TYR 26 14.486 -3.285 -4.040 205 HB2 TYR 26 1HB TYR 26 11.540 -2.931 -4.606 206 HB3 TYR 26 2HB TYR 26 12.655 -4.008 -5.421 207 HD1 TYR 26 HD1 TYR 26 13.931 -4.518 -2.309 208 HD2 TYR 26 HD2 TYR 26 10.168 -5.087 -4.344 209 HE1 TYR 26 HE1 TYR 26 13.360 -6.334 -0.761 210 HE2 TYR 26 HE2 TYR 26 9.622 -6.913 -2.773 211 HH TYR 26 HH TYR 26 10.602 -8.398 -1.268 212 H ILE 27 H ILE 27 11.890 -0.903 -4.933 213 HA ILE 27 HA ILE 27 13.633 -0.009 -7.079 214 HB ILE 27 HB ILE 27 11.161 -0.000 -7.352 215 HG12 ILE 27 1HG1 ILE 27 12.392 2.738 -7.556 216 HG13 ILE 27 2HG1 ILE 27 12.754 1.434 -8.668 217 HG21 ILE 27 1HG2 ILE 27 11.343 2.059 -5.170 218 HG22 ILE 27 2HG2 ILE 27 10.249 0.699 -5.316 219 HG23 ILE 27 3HG2 ILE 27 10.042 2.109 -6.344 220 HD11 ILE 27 3HD1 ILE 27 11.049 2.676 -9.740 221 HD12 ILE 27 1HD1 ILE 27 10.131 2.854 -8.247 222 HD13 ILE 27 2HD1 ILE 27 10.218 1.284 -9.049 223 H GLY 28 H GLY 28 12.908 1.119 -3.844 224 HA2 GLY 28 1HA GLY 28 14.676 2.447 -2.709 225 HA3 GLY 28 2HA GLY 28 14.913 3.322 -4.220 226 H TRP 29 H TRP 29 12.130 3.644 -4.855 227 HA TRP 29 HA TRP 29 11.140 5.393 -2.632 228 HB2 TRP 29 1HB TRP 29 10.575 7.112 -4.265 229 HB3 TRP 29 2HB TRP 29 12.281 6.702 -4.450 230 HD1 TRP 29 HD1 TRP 29 12.671 4.593 -6.291 231 HE1 TRP 29 HE1 TRP 29 11.630 4.369 -8.644 232 HE3 TRP 29 HE3 TRP 29 8.752 7.826 -5.834 233 HZ2 TRP 29 HZ2 TRP 29 9.458 5.440 -10.134 234 HZ3 TRP 29 HZ3 TRP 29 7.215 8.214 -7.741 235 HH2 TRP 29 HH2 TRP 29 7.562 7.020 -9.889 236 H CYS 30 H CYS 30 8.755 6.192 -3.791 237 HA CYS 30 HA CYS 30 7.265 3.653 -3.824 238 HB2 CYS 30 1HB CYS 30 5.295 5.327 -3.951 239 HB3 CYS 30 2HB CYS 30 6.254 5.299 -2.474 240 HG CYS 30 HG CYS 30 6.758 7.678 -2.903 241 HA PRO 31 HA PRO 31 7.351 4.121 -8.366 242 HB2 PRO 31 1HB PRO 31 6.360 1.655 -9.026 243 HB3 PRO 31 2HB PRO 31 8.047 1.940 -8.586 244 HG2 PRO 31 1HG PRO 31 5.863 0.749 -6.978 245 HG3 PRO 31 2HG PRO 31 7.604 0.416 -6.948 246 HD2 PRO 31 1HD PRO 31 6.234 2.005 -5.083 247 HD3 PRO 31 2HD PRO 31 7.987 2.014 -5.345 248 H PHE 32 H PHE 32 4.610 2.944 -6.488 249 HA PHE 32 HA PHE 32 2.665 3.541 -8.575 250 HB2 PHE 32 1HB PHE 32 2.456 2.610 -5.708 251 HB3 PHE 32 2HB PHE 32 1.047 2.931 -6.712 252 HD1 PHE 32 HD2 PHE 32 0.821 1.694 -8.938 253 HD2 PHE 32 HD1 PHE 32 3.645 0.568 -5.904 254 HE1 PHE 32 HE2 PHE 32 1.051 -0.545 -9.982 255 HE2 PHE 32 HE1 PHE 32 3.876 -1.670 -6.948 256 HZ PHE 32 HZ PHE 32 2.579 -2.226 -8.987 257 H TRP 33 H TRP 33 2.743 4.595 -5.162 258 HA TRP 33 HA TRP 33 1.684 7.242 -6.023 259 HB2 TRP 33 1HB TRP 33 1.362 7.460 -3.465 260 HB3 TRP 33 2HB TRP 33 0.321 6.331 -4.322 261 HD1 TRP 33 HD1 TRP 33 3.225 6.480 -1.870 262 HE1 TRP 33 HE1 TRP 33 3.576 4.135 -0.850 263 HE3 TRP 33 HE3 TRP 33 0.028 3.759 -4.777 264 HZ2 TRP 33 HZ2 TRP 33 2.631 1.477 -1.214 265 HZ3 TRP 33 HZ3 TRP 33 -0.225 1.320 -4.422 266 HH2 TRP 33 HH2 TRP 33 1.071 0.171 -2.642 Start of MODEL 16 1 H1 ASN 1 1H ASN 1 -27.406 0.186 7.145 2 H2 ASN 1 2H ASN 1 -27.385 -1.020 5.949 3 H3 ASN 1 3H ASN 1 -28.584 0.182 5.924 4 HA ASN 1 HA ASN 1 -27.292 1.645 4.875 5 HB2 ASN 1 1HB ASN 1 -24.861 0.634 6.365 6 HB3 ASN 1 2HB ASN 1 -25.093 2.212 5.610 7 HD21 ASN 1 2HD2 ASN 1 -25.579 0.386 8.526 8 HD22 ASN 1 1HD2 ASN 1 -26.398 1.594 9.393 9 H GLU 2 H GLU 2 -24.401 0.990 4.223 10 HA GLU 2 HA GLU 2 -24.547 -1.555 2.783 11 HB2 GLU 2 1HB GLU 2 -24.481 -0.692 0.559 12 HB3 GLU 2 2HB GLU 2 -25.807 0.151 1.353 13 HG2 GLU 2 1HG GLU 2 -23.026 1.207 0.782 14 HG3 GLU 2 2HG GLU 2 -24.559 1.818 0.165 15 H LEU 3 H LEU 3 -22.464 -2.103 1.810 16 HA LEU 3 HA LEU 3 -20.210 -1.490 3.350 17 HB2 LEU 3 1HB LEU 3 -20.108 -2.048 0.380 18 HB3 LEU 3 2HB LEU 3 -18.862 -2.390 1.581 19 HG LEU 3 HG LEU 3 -21.530 -3.767 1.206 20 HD11 LEU 3 1HD1 LEU 3 -19.606 -4.614 -0.053 21 HD12 LEU 3 2HD1 LEU 3 -20.060 -5.767 1.203 22 HD13 LEU 3 3HD1 LEU 3 -18.662 -4.713 1.433 23 HD21 LEU 3 3HD2 LEU 3 -21.460 -3.444 3.581 24 HD22 LEU 3 1HD2 LEU 3 -19.724 -3.752 3.641 25 HD23 LEU 3 2HD2 LEU 3 -20.845 -5.073 3.308 26 H ASP 4 H ASP 4 -18.493 -0.013 3.141 27 HA ASP 4 HA ASP 4 -19.141 2.556 2.033 28 HB2 ASP 4 1HB ASP 4 -16.651 1.304 3.133 29 HB3 ASP 4 2HB ASP 4 -16.578 2.886 2.374 30 H VAL 5 H VAL 5 -17.261 3.446 0.417 31 HA VAL 5 HA VAL 5 -17.421 1.586 -1.896 32 HB VAL 5 HB VAL 5 -17.406 4.542 -1.533 33 HG11 VAL 5 1HG1 VAL 5 -15.524 4.321 -3.067 34 HG12 VAL 5 2HG1 VAL 5 -16.946 4.802 -4.002 35 HG13 VAL 5 3HG1 VAL 5 -16.407 3.124 -4.024 36 HG21 VAL 5 3HG2 VAL 5 -19.291 4.398 -2.998 37 HG22 VAL 5 1HG2 VAL 5 -19.431 3.076 -1.828 38 HG23 VAL 5 2HG2 VAL 5 -18.867 2.752 -3.475 39 HA PRO 6 HA PRO 6 -12.837 2.496 -2.001 40 HB2 PRO 6 1HB PRO 6 -11.638 4.320 -0.502 41 HB3 PRO 6 2HB PRO 6 -12.749 4.855 -1.787 42 HG2 PRO 6 1HG PRO 6 -13.307 4.489 1.136 43 HG3 PRO 6 2HG PRO 6 -13.601 5.917 0.117 44 HD2 PRO 6 1HD PRO 6 -15.557 4.056 0.611 45 HD3 PRO 6 2HD PRO 6 -15.449 4.984 -0.892 46 H GLU 7 H GLU 7 -14.442 1.179 0.235 47 HA GLU 7 HA GLU 7 -12.952 0.880 2.574 48 HB2 GLU 7 1HB GLU 7 -15.219 -0.296 1.547 49 HB3 GLU 7 2HB GLU 7 -14.106 -1.657 1.491 50 HG2 GLU 7 1HG GLU 7 -13.541 -1.161 3.910 51 HG3 GLU 7 2HG GLU 7 -14.865 0.002 3.901 52 H GLN 8 H GLN 8 -12.385 -0.655 -0.581 53 HA GLN 8 HA GLN 8 -10.427 -2.528 0.188 54 HB2 GLN 8 1HB GLN 8 -10.030 -0.789 -2.254 55 HB3 GLN 8 2HB GLN 8 -9.693 -2.511 -2.055 56 HG2 GLN 8 1HG GLN 8 -12.241 -2.778 -1.708 57 HG3 GLN 8 2HG GLN 8 -12.369 -1.151 -2.378 58 HE21 GLN 8 2HE2 GLN 8 -11.500 -4.498 -3.140 59 HE22 GLN 8 1HE2 GLN 8 -11.438 -4.285 -4.822 60 H VAL 9 H VAL 9 -10.117 0.946 -0.396 61 HA VAL 9 HA VAL 9 -7.390 1.384 -0.098 62 HB VAL 9 HB VAL 9 -9.639 2.969 1.175 63 HG11 VAL 9 1HG1 VAL 9 -7.901 4.855 0.755 64 HG12 VAL 9 2HG1 VAL 9 -6.729 3.537 0.724 65 HG13 VAL 9 3HG1 VAL 9 -7.718 3.807 2.164 66 HG21 VAL 9 3HG2 VAL 9 -8.382 3.055 -1.570 67 HG22 VAL 9 1HG2 VAL 9 -9.367 4.366 -0.921 68 HG23 VAL 9 2HG2 VAL 9 -10.076 2.768 -1.166 69 H ASP 10 H ASP 10 -9.643 1.841 2.579 70 HA ASP 10 HA ASP 10 -7.876 1.790 4.710 71 HB2 ASP 10 1HB ASP 10 -10.215 2.273 5.014 72 HB3 ASP 10 2HB ASP 10 -10.682 0.657 4.471 73 H LYS 11 H LYS 11 -9.116 -0.968 2.900 74 HA LYS 11 HA LYS 11 -7.867 -2.918 4.687 75 HB2 LYS 11 1HB LYS 11 -8.936 -3.228 1.867 76 HB3 LYS 11 2HB LYS 11 -8.450 -4.551 2.924 77 HG2 LYS 11 1HG LYS 11 -10.195 -3.937 4.526 78 HG3 LYS 11 2HG LYS 11 -10.660 -2.567 3.522 79 HD2 LYS 11 1HD LYS 11 -11.035 -4.273 1.640 80 HD3 LYS 11 2HD LYS 11 -10.923 -5.512 2.892 81 HE2 LYS 11 1HE LYS 11 -12.726 -4.245 4.152 82 HE3 LYS 11 2HE LYS 11 -12.932 -3.261 2.704 83 HZ1 LYS 11 3HZ LYS 11 -14.254 -4.843 1.932 84 HZ2 LYS 11 1HZ LYS 11 -13.901 -5.866 3.238 85 HZ3 LYS 11 2HZ LYS 11 -12.915 -5.887 1.855 86 H LEU 12 H LEU 12 -7.172 -1.411 1.570 87 HA LEU 12 HA LEU 12 -4.817 -2.820 0.909 88 HB2 LEU 12 1HB LEU 12 -5.616 0.006 0.454 89 HB3 LEU 12 2HB LEU 12 -4.194 -0.695 -0.236 90 HG LEU 12 HG LEU 12 -6.904 -0.788 -1.209 91 HD11 LEU 12 1HD1 LEU 12 -4.937 -0.307 -2.545 92 HD12 LEU 12 2HD1 LEU 12 -5.776 -1.714 -3.202 93 HD13 LEU 12 3HD1 LEU 12 -4.317 -1.928 -2.227 94 HD21 LEU 12 3HD2 LEU 12 -5.654 -3.538 -1.039 95 HD22 LEU 12 1HD2 LEU 12 -7.197 -3.109 -1.759 96 HD23 LEU 12 2HD2 LEU 12 -6.999 -3.031 -0.019 97 H ILE 13 H ILE 13 -5.154 0.284 2.579 98 HA ILE 13 HA ILE 13 -2.633 0.840 3.417 99 HB ILE 13 HB ILE 13 -5.340 1.037 4.654 100 HG12 ILE 13 1HG1 ILE 13 -4.731 3.436 4.649 101 HG13 ILE 13 2HG1 ILE 13 -3.158 3.031 3.979 102 HG21 ILE 13 1HG2 ILE 13 -4.200 0.542 6.655 103 HG22 ILE 13 2HG2 ILE 13 -4.226 2.307 6.595 104 HG23 ILE 13 3HG2 ILE 13 -2.754 1.426 6.150 105 HD11 ILE 13 3HD1 ILE 13 -4.670 3.718 2.192 106 HD12 ILE 13 1HD1 ILE 13 -5.859 2.532 2.716 107 HD13 ILE 13 2HD1 ILE 13 -4.325 1.999 2.030 108 H GLN 14 H GLN 14 -4.810 -1.387 5.192 109 HA GLN 14 HA GLN 14 -3.064 -2.211 7.185 110 HB2 GLN 14 1HB GLN 14 -5.084 -3.881 5.673 111 HB3 GLN 14 2HB GLN 14 -4.334 -4.342 7.188 112 HG2 GLN 14 1HG GLN 14 -5.209 -2.152 8.150 113 HG3 GLN 14 2HG GLN 14 -6.181 -2.029 6.689 114 HE21 GLN 14 2HE2 GLN 14 -8.263 -2.477 7.495 115 HE22 GLN 14 1HE2 GLN 14 -8.672 -3.916 8.299 116 H GLN 15 H GLN 15 -3.366 -3.534 3.898 117 HA GLN 15 HA GLN 15 -0.984 -5.228 4.390 118 HB2 GLN 15 1HB GLN 15 -1.458 -6.075 2.075 119 HB3 GLN 15 2HB GLN 15 -2.778 -6.304 3.214 120 HG2 GLN 15 1HG GLN 15 -3.978 -4.425 2.342 121 HG3 GLN 15 2HG GLN 15 -2.606 -3.943 1.344 122 HE21 GLN 15 2HE2 GLN 15 -3.869 -4.177 -0.642 123 HE22 GLN 15 1HE2 GLN 15 -4.277 -5.711 -1.245 124 H ALA 16 H ALA 16 -1.585 -2.099 3.358 125 HA ALA 16 HA ALA 16 0.430 -1.997 1.239 126 HB1 ALA 16 3HB ALA 16 -0.235 0.212 0.964 127 HB2 ALA 16 1HB ALA 16 -0.522 0.456 2.689 128 HB3 ALA 16 2HB ALA 16 -1.678 -0.461 1.720 129 H THR 17 H THR 17 0.352 -1.334 4.727 130 HA THR 17 HA THR 17 2.655 0.178 5.051 131 HB THR 17 HB THR 17 1.322 -1.979 6.675 132 HG1 THR 17 HG1 THR 17 1.750 0.382 7.859 133 HG21 THR 17 3HG2 THR 17 3.948 -0.630 7.257 134 HG22 THR 17 1HG2 THR 17 3.562 -2.348 7.313 135 HG23 THR 17 2HG2 THR 17 2.916 -1.261 8.540 136 H SER 18 H SER 18 2.397 -3.347 4.595 137 HA SER 18 HA SER 18 5.213 -3.847 4.855 138 HB2 SER 18 1HB SER 18 4.687 -6.030 4.280 139 HB3 SER 18 2HB SER 18 3.091 -5.467 4.759 140 HG SER 18 HG SER 18 2.473 -5.736 2.780 141 H ILE 19 H ILE 19 3.120 -3.265 2.024 142 HA ILE 19 HA ILE 19 5.050 -3.579 0.014 143 HB ILE 19 HB ILE 19 2.492 -2.044 0.324 144 HG12 ILE 19 1HG1 ILE 19 2.036 -3.482 -1.828 145 HG13 ILE 19 2HG1 ILE 19 3.460 -4.368 -1.327 146 HG21 ILE 19 1HG2 ILE 19 2.716 -1.424 -2.141 147 HG22 ILE 19 2HG2 ILE 19 4.444 -1.716 -1.931 148 HG23 ILE 19 3HG2 ILE 19 3.636 -0.467 -0.983 149 HD11 ILE 19 3HD1 ILE 19 2.295 -4.500 0.987 150 HD12 ILE 19 1HD1 ILE 19 1.727 -5.552 -0.305 151 HD13 ILE 19 2HD1 ILE 19 0.837 -4.082 0.087 152 H GLU 20 H GLU 20 4.279 -0.741 2.029 153 HA GLU 20 HA GLU 20 5.836 1.175 0.688 154 HB2 GLU 20 1HB GLU 20 4.297 1.320 2.828 155 HB3 GLU 20 2HB GLU 20 5.806 1.079 3.699 156 HG2 GLU 20 1HG GLU 20 5.353 3.245 1.621 157 HG3 GLU 20 2HG GLU 20 5.253 3.491 3.362 158 H ARG 21 H ARG 21 6.833 -1.138 3.203 159 HA ARG 21 HA ARG 21 9.557 -0.303 3.355 160 HB2 ARG 21 1HB ARG 21 8.053 -2.820 4.017 161 HB3 ARG 21 2HB ARG 21 9.813 -2.886 4.001 162 HG2 ARG 21 1HG ARG 21 9.017 -2.358 6.257 163 HG3 ARG 21 2HG ARG 21 9.882 -0.976 5.586 164 HD2 ARG 21 1HD ARG 21 7.771 0.101 4.991 165 HD3 ARG 21 2HD ARG 21 6.869 -1.309 5.550 166 HE ARG 21 HE ARG 21 8.408 -0.501 7.742 167 HH11 ARG 21 1HH2 ARG 21 6.036 0.835 5.627 168 HH12 ARG 21 2HH2 ARG 21 5.386 1.909 6.821 169 HH21 ARG 21 1HH1 ARG 21 7.575 0.893 9.311 170 HH22 ARG 21 2HH1 ARG 21 6.258 1.942 8.907 171 H LEU 22 H LEU 22 7.974 -2.737 1.274 172 HA LEU 22 HA LEU 22 10.355 -3.635 -0.029 173 HB2 LEU 22 1HB LEU 22 7.627 -3.462 -1.317 174 HB3 LEU 22 2HB LEU 22 8.912 -4.602 -1.657 175 HG LEU 22 HG LEU 22 7.148 -4.480 0.736 176 HD11 LEU 22 1HD1 LEU 22 6.419 -5.806 -1.195 177 HD12 LEU 22 2HD1 LEU 22 6.780 -6.843 0.185 178 HD13 LEU 22 3HD1 LEU 22 7.938 -6.698 -1.139 179 HD21 LEU 22 3HD2 LEU 22 8.607 -6.377 1.637 180 HD22 LEU 22 1HD2 LEU 22 9.306 -4.761 1.743 181 HD23 LEU 22 2HD2 LEU 22 9.818 -5.861 0.464 182 H CYS 23 H CYS 23 7.883 -1.358 -1.242 183 HA CYS 23 HA CYS 23 9.106 -0.457 -3.556 184 HB2 CYS 23 1HB CYS 23 7.706 1.277 -1.499 185 HB3 CYS 23 2HB CYS 23 7.933 1.670 -3.199 186 HG CYS 23 HG CYS 23 6.498 -0.623 -3.653 187 H GLN 24 H GLN 24 9.569 1.101 -0.352 188 HA GLN 24 HA GLN 24 11.518 2.947 -1.037 189 HB2 GLN 24 1HB GLN 24 11.248 1.251 1.457 190 HB3 GLN 24 2HB GLN 24 12.346 2.615 1.323 191 HG2 GLN 24 1HG GLN 24 9.380 2.830 0.787 192 HG3 GLN 24 2HG GLN 24 10.106 3.172 2.358 193 HE21 GLN 24 2HE2 GLN 24 11.849 4.923 2.357 194 HE22 GLN 24 1HE2 GLN 24 11.705 6.192 1.238 195 H HIS 25 H HIS 25 11.885 -0.535 -0.607 196 HA HIS 25 HA HIS 25 14.825 -0.335 -0.997 197 HB2 HIS 25 1HB HIS 25 13.468 -1.919 0.664 198 HB3 HIS 25 2HB HIS 25 13.351 -2.951 -0.749 199 HD1 HIS 25 HD1 HIS 25 16.081 -1.062 1.152 200 HD2 HIS 25 HD2 HIS 25 15.578 -4.557 -1.069 201 HE1 HIS 25 HE1 HIS 25 18.294 -2.293 1.240 202 HE2 HIS 25 HE2 HIS 25 17.999 -4.421 -0.109 203 H TYR 26 H TYR 26 12.265 -2.426 -2.280 204 HA TYR 26 HA TYR 26 13.452 -3.455 -4.519 205 HB2 TYR 26 1HB TYR 26 10.634 -2.551 -3.989 206 HB3 TYR 26 2HB TYR 26 11.051 -3.148 -5.592 207 HD1 TYR 26 HD2 TYR 26 11.579 -4.064 -1.985 208 HD2 TYR 26 HD1 TYR 26 10.840 -5.446 -5.987 209 HE1 TYR 26 HE2 TYR 26 11.427 -6.394 -1.154 210 HE2 TYR 26 HE1 TYR 26 10.687 -7.775 -5.152 211 HH TYR 26 HH TYR 26 11.725 -8.700 -2.081 212 H ILE 27 H ILE 27 11.368 -0.541 -4.957 213 HA ILE 27 HA ILE 27 13.063 0.161 -7.295 214 HB ILE 27 HB ILE 27 10.587 -0.043 -7.537 215 HG12 ILE 27 1HG1 ILE 27 11.520 2.789 -7.981 216 HG13 ILE 27 2HG1 ILE 27 12.070 1.441 -8.966 217 HG21 ILE 27 1HG2 ILE 27 9.148 1.629 -6.628 218 HG22 ILE 27 2HG2 ILE 27 10.501 2.453 -5.891 219 HG23 ILE 27 3HG2 ILE 27 10.026 0.866 -5.308 220 HD11 ILE 27 3HD1 ILE 27 10.254 2.223 -10.206 221 HD12 ILE 27 1HD1 ILE 27 9.319 2.630 -8.768 222 HD13 ILE 27 2HD1 ILE 27 9.502 0.946 -9.260 223 H GLY 28 H GLY 28 11.836 1.583 -4.275 224 HA2 GLY 28 1HA GLY 28 13.612 3.043 -3.133 225 HA3 GLY 28 2HA GLY 28 13.726 3.884 -4.676 226 H TRP 29 H TRP 29 11.042 4.017 -5.406 227 HA TRP 29 HA TRP 29 9.831 5.677 -3.231 228 HB2 TRP 29 1HB TRP 29 9.449 7.367 -4.767 229 HB3 TRP 29 2HB TRP 29 10.848 6.646 -5.554 230 HD1 TRP 29 HD1 TRP 29 7.084 6.781 -5.708 231 HE1 TRP 29 HE1 TRP 29 6.270 6.069 -8.046 232 HE3 TRP 29 HE3 TRP 29 11.500 5.280 -7.736 233 HZ2 TRP 29 HZ2 TRP 29 7.342 5.018 -10.446 234 HZ3 TRP 29 HZ3 TRP 29 11.567 4.415 -10.057 235 HH2 TRP 29 HH2 TRP 29 9.499 4.280 -11.413 236 H CYS 30 H CYS 30 7.278 5.904 -3.947 237 HA CYS 30 HA CYS 30 6.289 3.161 -3.933 238 HB2 CYS 30 1HB CYS 30 4.025 4.458 -4.068 239 HB3 CYS 30 2HB CYS 30 4.997 4.606 -2.607 240 HG CYS 30 HG CYS 30 4.674 6.811 -4.773 241 HA PRO 31 HA PRO 31 6.261 3.441 -8.488 242 HB2 PRO 31 1HB PRO 31 5.796 0.843 -9.076 243 HB3 PRO 31 2HB PRO 31 7.363 1.402 -8.465 244 HG2 PRO 31 1HG PRO 31 5.137 0.078 -6.985 245 HG3 PRO 31 2HG PRO 31 6.882 -0.224 -6.894 246 HD2 PRO 31 1HD PRO 31 5.518 1.318 -5.070 247 HD3 PRO 31 2HD PRO 31 7.237 1.547 -5.437 248 H PHE 32 H PHE 32 3.724 2.045 -6.496 249 HA PHE 32 HA PHE 32 1.726 2.003 -8.603 250 HB2 PHE 32 1HB PHE 32 1.393 1.781 -5.605 251 HB3 PHE 32 2HB PHE 32 0.223 1.300 -6.829 252 HD1 PHE 32 HD1 PHE 32 0.843 -0.553 -8.463 253 HD2 PHE 32 HD2 PHE 32 3.144 0.323 -4.943 254 HE1 PHE 32 HE1 PHE 32 1.919 -2.783 -8.610 255 HE2 PHE 32 HE2 PHE 32 4.218 -1.906 -5.090 256 HZ PHE 32 HZ PHE 32 3.606 -3.459 -6.923 257 H TRP 33 H TRP 33 1.661 3.656 -5.442 258 HA TRP 33 HA TRP 33 0.229 5.936 -6.724 259 HB2 TRP 33 1HB TRP 33 -0.034 6.509 -4.142 260 HB3 TRP 33 2HB TRP 33 -1.062 5.295 -4.894 261 HD1 TRP 33 HD1 TRP 33 1.898 5.677 -2.527 262 HE1 TRP 33 HE1 TRP 33 2.283 3.433 -1.309 263 HE3 TRP 33 HE3 TRP 33 -1.371 2.709 -5.091 264 HZ2 TRP 33 HZ2 TRP 33 1.335 0.748 -1.413 265 HZ3 TRP 33 HZ3 TRP 33 -1.607 0.312 -4.516 266 HH2 TRP 33 HH2 TRP 33 -0.261 -0.674 -2.680 Start of MODEL 17 1 H1 ASN 1 1H ASN 1 -23.843 4.237 1.949 2 H2 ASN 1 2H ASN 1 -25.049 4.723 0.854 3 H3 ASN 1 3H ASN 1 -24.013 3.434 0.464 4 HA ASN 1 HA ASN 1 -26.412 3.456 2.064 5 HB2 ASN 1 1HB ASN 1 -24.877 1.122 0.909 6 HB3 ASN 1 2HB ASN 1 -26.610 1.242 1.217 7 HD21 ASN 1 2HD2 ASN 1 -27.450 3.509 0.016 8 HD22 ASN 1 1HD2 ASN 1 -27.035 3.552 -1.630 9 H GLU 2 H GLU 2 -25.631 0.607 2.862 10 HA GLU 2 HA GLU 2 -24.932 1.165 5.572 11 HB2 GLU 2 1HB GLU 2 -24.383 -1.367 5.587 12 HB3 GLU 2 2HB GLU 2 -26.035 -0.893 5.192 13 HG2 GLU 2 1HG GLU 2 -25.666 -1.201 2.850 14 HG3 GLU 2 2HG GLU 2 -23.923 -1.343 3.073 15 H LEU 3 H LEU 3 -22.836 -1.301 4.655 16 HA LEU 3 HA LEU 3 -20.483 -0.129 5.603 17 HB2 LEU 3 1HB LEU 3 -20.577 -2.008 3.232 18 HB3 LEU 3 2HB LEU 3 -19.244 -1.779 4.359 19 HG LEU 3 HG LEU 3 -21.876 -3.189 4.796 20 HD11 LEU 3 1HD1 LEU 3 -19.898 -4.470 4.090 21 HD12 LEU 3 2HD1 LEU 3 -20.359 -4.902 5.737 22 HD13 LEU 3 3HD1 LEU 3 -18.987 -3.826 5.457 23 HD21 LEU 3 3HD2 LEU 3 -21.235 -3.286 7.252 24 HD22 LEU 3 1HD2 LEU 3 -21.802 -1.710 6.707 25 HD23 LEU 3 2HD2 LEU 3 -20.076 -1.998 6.933 26 H ASP 4 H ASP 4 -18.521 0.449 4.239 27 HA ASP 4 HA ASP 4 -19.242 2.549 2.363 28 HB2 ASP 4 1HB ASP 4 -16.641 1.488 3.410 29 HB3 ASP 4 2HB ASP 4 -16.702 2.714 2.159 30 H VAL 5 H VAL 5 -17.873 2.517 0.241 31 HA VAL 5 HA VAL 5 -18.386 -0.126 -1.015 32 HB VAL 5 HB VAL 5 -18.465 2.715 -1.902 33 HG11 VAL 5 1HG1 VAL 5 -16.911 1.853 -3.559 34 HG12 VAL 5 2HG1 VAL 5 -18.515 1.923 -4.303 35 HG13 VAL 5 3HG1 VAL 5 -17.874 0.380 -3.744 36 HG21 VAL 5 3HG2 VAL 5 -20.585 2.045 -2.778 37 HG22 VAL 5 1HG2 VAL 5 -20.426 1.324 -1.169 38 HG23 VAL 5 2HG2 VAL 5 -20.177 0.335 -2.617 39 HA PRO 6 HA PRO 6 -13.972 0.556 -2.457 40 HB2 PRO 6 1HB PRO 6 -12.603 2.783 -2.031 41 HB3 PRO 6 2HB PRO 6 -13.963 2.809 -3.178 42 HG2 PRO 6 1HG PRO 6 -13.930 3.614 -0.291 43 HG3 PRO 6 2HG PRO 6 -14.490 4.544 -1.703 44 HD2 PRO 6 1HD PRO 6 -16.209 3.085 -0.161 45 HD3 PRO 6 2HD PRO 6 -16.439 3.337 -1.896 46 H GLU 7 H GLU 7 -15.045 0.270 0.392 47 HA GLU 7 HA GLU 7 -13.140 0.783 2.337 48 HB2 GLU 7 1HB GLU 7 -15.483 -0.637 2.277 49 HB3 GLU 7 2HB GLU 7 -14.337 -1.963 2.448 50 HG2 GLU 7 1HG GLU 7 -13.304 -0.620 4.368 51 HG3 GLU 7 2HG GLU 7 -14.734 0.407 4.274 52 H GLN 8 H GLN 8 -12.974 -1.638 -0.222 53 HA GLN 8 HA GLN 8 -10.860 -3.223 0.790 54 HB2 GLN 8 1HB GLN 8 -10.897 -2.315 -2.095 55 HB3 GLN 8 2HB GLN 8 -10.464 -3.896 -1.439 56 HG2 GLN 8 1HG GLN 8 -12.925 -4.027 -0.647 57 HG3 GLN 8 2HG GLN 8 -13.211 -2.685 -1.757 58 HE21 GLN 8 2HE2 GLN 8 -12.573 -6.121 -1.552 59 HE22 GLN 8 1HE2 GLN 8 -12.661 -6.435 -3.219 60 H VAL 9 H VAL 9 -10.843 -0.089 -0.813 61 HA VAL 9 HA VAL 9 -8.134 0.458 -1.099 62 HB VAL 9 HB VAL 9 -10.350 2.273 -0.116 63 HG11 VAL 9 1HG1 VAL 9 -8.361 3.402 0.413 64 HG12 VAL 9 2HG1 VAL 9 -8.819 4.049 -1.166 65 HG13 VAL 9 3HG1 VAL 9 -7.543 2.835 -1.046 66 HG21 VAL 9 3HG2 VAL 9 -10.369 2.975 -2.524 67 HG22 VAL 9 1HG2 VAL 9 -10.881 1.307 -2.253 68 HG23 VAL 9 2HG2 VAL 9 -9.260 1.648 -2.864 69 H ASP 10 H ASP 10 -10.038 1.660 1.632 70 HA ASP 10 HA ASP 10 -7.986 2.304 3.385 71 HB2 ASP 10 1HB ASP 10 -10.294 2.781 3.910 72 HB3 ASP 10 2HB ASP 10 -10.691 1.060 3.969 73 H LYS 11 H LYS 11 -9.300 -0.902 2.711 74 HA LYS 11 HA LYS 11 -7.675 -2.211 4.745 75 HB2 LYS 11 1HB LYS 11 -9.100 -3.349 2.324 76 HB3 LYS 11 2HB LYS 11 -8.365 -4.305 3.606 77 HG2 LYS 11 1HG LYS 11 -9.886 -3.310 5.247 78 HG3 LYS 11 2HG LYS 11 -10.601 -2.298 3.995 79 HD2 LYS 11 1HD LYS 11 -11.131 -4.480 2.751 80 HD3 LYS 11 2HD LYS 11 -10.735 -5.307 4.258 81 HE2 LYS 11 1HE LYS 11 -12.406 -3.726 5.388 82 HE3 LYS 11 2HE LYS 11 -12.937 -3.301 3.761 83 HZ1 LYS 11 3HZ LYS 11 -14.063 -5.245 5.044 84 HZ2 LYS 11 1HZ LYS 11 -12.725 -6.134 4.503 85 HZ3 LYS 11 2HZ LYS 11 -13.757 -5.387 3.379 86 H LEU 12 H LEU 12 -7.492 -1.665 1.253 87 HA LEU 12 HA LEU 12 -5.149 -3.128 0.677 88 HB2 LEU 12 1HB LEU 12 -6.181 -0.565 -0.419 89 HB3 LEU 12 2HB LEU 12 -4.822 -1.397 -1.084 90 HG LEU 12 HG LEU 12 -7.630 -1.832 -1.582 91 HD11 LEU 12 1HD1 LEU 12 -6.723 -3.228 -3.405 92 HD12 LEU 12 2HD1 LEU 12 -5.133 -3.122 -2.642 93 HD13 LEU 12 3HD1 LEU 12 -5.905 -1.669 -3.280 94 HD21 LEU 12 3HD2 LEU 12 -6.168 -4.385 -0.884 95 HD22 LEU 12 1HD2 LEU 12 -7.823 -4.224 -1.448 96 HD23 LEU 12 2HD2 LEU 12 -7.392 -3.670 0.160 97 H ILE 13 H ILE 13 -5.491 0.298 1.490 98 HA ILE 13 HA ILE 13 -2.918 1.150 1.770 99 HB ILE 13 HB ILE 13 -5.475 1.609 3.239 100 HG12 ILE 13 1HG1 ILE 13 -5.032 3.924 2.493 101 HG13 ILE 13 2HG1 ILE 13 -3.515 3.400 1.782 102 HG21 ILE 13 1HG2 ILE 13 -4.096 1.738 5.149 103 HG22 ILE 13 2HG2 ILE 13 -4.253 3.411 4.607 104 HG23 ILE 13 3HG2 ILE 13 -2.778 2.500 4.254 105 HD11 ILE 13 3HD1 ILE 13 -4.809 1.815 0.349 106 HD12 ILE 13 1HD1 ILE 13 -5.231 3.500 0.060 107 HD13 ILE 13 2HD1 ILE 13 -6.296 2.483 1.023 108 H GLN 14 H GLN 14 -4.714 -0.673 4.281 109 HA GLN 14 HA GLN 14 -2.659 -0.774 6.190 110 HB2 GLN 14 1HB GLN 14 -4.798 -2.829 5.591 111 HB3 GLN 14 2HB GLN 14 -3.810 -2.793 7.040 112 HG2 GLN 14 1HG GLN 14 -4.646 -0.389 7.373 113 HG3 GLN 14 2HG GLN 14 -5.856 -0.780 6.156 114 HE21 GLN 14 2HE2 GLN 14 -7.755 -1.039 7.371 115 HE22 GLN 14 1HE2 GLN 14 -7.903 -2.093 8.694 116 H GLN 15 H GLN 15 -3.367 -3.106 3.571 117 HA GLN 15 HA GLN 15 -0.928 -4.596 4.243 118 HB2 GLN 15 1HB GLN 15 -1.498 -5.869 2.111 119 HB3 GLN 15 2HB GLN 15 -2.692 -5.945 3.400 120 HG2 GLN 15 1HG GLN 15 -4.044 -4.253 2.337 121 HG3 GLN 15 2HG GLN 15 -2.813 -3.996 1.097 122 HE21 GLN 15 2HE2 GLN 15 -4.050 -4.728 -0.717 123 HE22 GLN 15 1HE2 GLN 15 -4.582 -6.332 -0.878 124 H ALA 16 H ALA 16 -1.521 -1.735 2.733 125 HA ALA 16 HA ALA 16 0.512 -2.026 0.595 126 HB1 ALA 16 3HB ALA 16 -1.731 -0.603 0.610 127 HB2 ALA 16 1HB ALA 16 -0.296 -0.000 -0.217 128 HB3 ALA 16 2HB ALA 16 -0.709 0.605 1.387 129 H THR 17 H THR 17 0.120 -0.585 3.816 130 HA THR 17 HA THR 17 2.394 1.057 3.898 131 HB THR 17 HB THR 17 0.788 -0.494 5.890 132 HG1 THR 17 HG1 THR 17 1.158 1.866 6.732 133 HG21 THR 17 3HG2 THR 17 2.352 0.541 7.679 134 HG22 THR 17 1HG2 THR 17 3.553 0.580 6.389 135 HG23 THR 17 2HG2 THR 17 2.854 -0.956 6.895 136 H SER 18 H SER 18 2.078 -2.455 4.134 137 HA SER 18 HA SER 18 4.814 -2.960 4.884 138 HB2 SER 18 1HB SER 18 4.184 -5.266 3.756 139 HB3 SER 18 2HB SER 18 3.428 -4.797 5.274 140 HG SER 18 HG SER 18 1.990 -3.702 3.393 141 H ILE 19 H ILE 19 3.081 -3.025 1.753 142 HA ILE 19 HA ILE 19 5.194 -3.660 0.060 143 HB ILE 19 HB ILE 19 2.673 -2.057 -0.136 144 HG12 ILE 19 1HG1 ILE 19 2.420 -3.729 -2.136 145 HG13 ILE 19 2HG1 ILE 19 3.780 -4.552 -1.399 146 HG21 ILE 19 1HG2 ILE 19 3.164 -1.708 -2.606 147 HG22 ILE 19 2HG2 ILE 19 4.859 -1.987 -2.192 148 HG23 ILE 19 3HG2 ILE 19 3.980 -0.639 -1.468 149 HD11 ILE 19 3HD1 ILE 19 2.381 -4.405 0.795 150 HD12 ILE 19 1HD1 ILE 19 1.956 -5.618 -0.411 151 HD13 ILE 19 2HD1 ILE 19 1.026 -4.125 -0.298 152 H GLU 20 H GLU 20 4.390 -0.571 1.598 153 HA GLU 20 HA GLU 20 6.198 1.106 0.212 154 HB2 GLU 20 1HB GLU 20 4.461 1.727 2.024 155 HB3 GLU 20 2HB GLU 20 5.712 1.307 3.192 156 HG2 GLU 20 1HG GLU 20 7.222 2.963 2.249 157 HG3 GLU 20 2HG GLU 20 6.081 3.318 0.952 158 H ARG 21 H ARG 21 6.702 -0.748 3.212 159 HA ARG 21 HA ARG 21 9.453 -0.166 3.542 160 HB2 ARG 21 1HB ARG 21 8.180 -2.814 4.234 161 HB3 ARG 21 2HB ARG 21 9.493 -1.980 5.063 162 HG2 ARG 21 1HG ARG 21 7.616 -0.052 5.279 163 HG3 ARG 21 2HG ARG 21 6.546 -1.445 5.165 164 HD2 ARG 21 1HD ARG 21 8.822 -1.179 7.139 165 HD3 ARG 21 2HD ARG 21 7.130 -0.852 7.510 166 HE ARG 21 HE ARG 21 7.324 -3.482 6.422 167 HH11 ARG 21 1HH2 ARG 21 8.222 -1.588 9.161 168 HH12 ARG 21 2HH2 ARG 21 8.161 -2.918 10.270 169 HH21 ARG 21 1HH1 ARG 21 7.236 -5.233 7.859 170 HH22 ARG 21 2HH1 ARG 21 7.603 -4.980 9.533 171 H LEU 22 H LEU 22 7.799 -2.471 1.461 172 HA LEU 22 HA LEU 22 10.285 -3.828 0.676 173 HB2 LEU 22 1HB LEU 22 7.583 -3.952 -0.680 174 HB3 LEU 22 2HB LEU 22 8.897 -5.101 -0.816 175 HG LEU 22 HG LEU 22 7.115 -4.615 1.522 176 HD11 LEU 22 1HD1 LEU 22 6.413 -6.236 -0.190 177 HD12 LEU 22 2HD1 LEU 22 6.766 -7.039 1.340 178 HD13 LEU 22 3HD1 LEU 22 7.938 -7.095 0.022 179 HD21 LEU 22 3HD2 LEU 22 8.605 -6.347 2.693 180 HD22 LEU 22 1HD2 LEU 22 9.261 -4.715 2.572 181 HD23 LEU 22 2HD2 LEU 22 9.812 -5.973 1.463 182 H CYS 23 H CYS 23 7.823 -2.044 -1.194 183 HA CYS 23 HA CYS 23 9.257 -1.627 -3.524 184 HB2 CYS 23 1HB CYS 23 7.678 -0.014 -4.051 185 HB3 CYS 23 2HB CYS 23 6.852 -0.852 -2.750 186 HG CYS 23 HG CYS 23 6.841 1.272 -1.494 187 H GLN 24 H GLN 24 9.411 0.460 -0.605 188 HA GLN 24 HA GLN 24 11.209 2.387 -1.539 189 HB2 GLN 24 1HB GLN 24 10.818 1.078 1.152 190 HB3 GLN 24 2HB GLN 24 12.065 2.296 0.921 191 HG2 GLN 24 1HG GLN 24 10.428 3.934 0.208 192 HG3 GLN 24 2HG GLN 24 9.150 2.716 0.224 193 HE21 GLN 24 2HE2 GLN 24 9.695 1.404 2.668 194 HE22 GLN 24 1HE2 GLN 24 9.485 2.499 3.948 195 H HIS 25 H HIS 25 11.720 -0.978 -0.872 196 HA HIS 25 HA HIS 25 14.674 -0.710 -1.013 197 HB2 HIS 25 1HB HIS 25 13.282 -2.295 0.573 198 HB3 HIS 25 2HB HIS 25 13.183 -3.332 -0.839 199 HD1 HIS 25 HD1 HIS 25 15.827 -1.598 1.293 200 HD2 HIS 25 HD2 HIS 25 15.455 -4.869 -1.269 201 HE1 HIS 25 HE1 HIS 25 18.030 -2.846 1.397 202 HE2 HIS 25 HE2 HIS 25 17.814 -4.838 -0.158 203 H TYR 26 H TYR 26 12.235 -2.827 -2.490 204 HA TYR 26 HA TYR 26 13.715 -3.779 -4.637 205 HB2 TYR 26 1HB TYR 26 10.774 -3.167 -4.368 206 HB3 TYR 26 2HB TYR 26 11.431 -3.882 -5.834 207 HD1 TYR 26 HD2 TYR 26 12.550 -6.105 -5.764 208 HD2 TYR 26 HD1 TYR 26 10.602 -4.437 -2.320 209 HE1 TYR 26 HE2 TYR 26 12.559 -8.334 -4.677 210 HE2 TYR 26 HE1 TYR 26 10.611 -6.663 -1.231 211 HH TYR 26 HH TYR 26 10.702 -9.236 -2.317 212 H ILE 27 H ILE 27 11.460 -0.945 -4.974 213 HA ILE 27 HA ILE 27 12.888 -0.261 -7.449 214 HB ILE 27 HB ILE 27 10.420 -0.057 -7.348 215 HG12 ILE 27 1HG1 ILE 27 11.753 2.618 -7.719 216 HG13 ILE 27 2HG1 ILE 27 11.920 1.300 -8.864 217 HG21 ILE 27 1HG2 ILE 27 11.034 2.061 -5.307 218 HG22 ILE 27 2HG2 ILE 27 9.971 0.675 -5.146 219 HG23 ILE 27 3HG2 ILE 27 9.531 2.008 -6.206 220 HD11 ILE 27 3HD1 ILE 27 9.273 1.292 -8.778 221 HD12 ILE 27 1HD1 ILE 27 10.137 2.436 -9.798 222 HD13 ILE 27 2HD1 ILE 27 9.511 2.954 -8.235 223 H GLY 28 H GLY 28 12.598 1.020 -4.170 224 HA2 GLY 28 1HA GLY 28 14.672 2.151 -3.312 225 HA3 GLY 28 2HA GLY 28 14.745 3.010 -4.847 226 H TRP 29 H TRP 29 11.916 3.596 -5.066 227 HA TRP 29 HA TRP 29 11.487 5.401 -2.718 228 HB2 TRP 29 1HB TRP 29 11.287 7.245 -4.107 229 HB3 TRP 29 2HB TRP 29 12.373 6.302 -5.120 230 HD1 TRP 29 HD1 TRP 29 8.749 7.260 -4.722 231 HE1 TRP 29 HE1 TRP 29 7.492 6.907 -6.941 232 HE3 TRP 29 HE3 TRP 29 12.407 4.992 -7.429 233 HZ2 TRP 29 HZ2 TRP 29 7.969 5.814 -9.509 234 HZ3 TRP 29 HZ3 TRP 29 11.968 4.292 -9.766 235 HH2 TRP 29 HH2 TRP 29 9.755 4.697 -10.807 236 H CYS 30 H CYS 30 8.983 6.258 -3.083 237 HA CYS 30 HA CYS 30 7.395 3.811 -2.997 238 HB2 CYS 30 1HB CYS 30 5.503 5.651 -2.796 239 HB3 CYS 30 2HB CYS 30 6.611 5.372 -1.455 240 HG CYS 30 HG CYS 30 7.936 7.489 -2.119 241 HA PRO 31 HA PRO 31 6.861 4.363 -7.502 242 HB2 PRO 31 1HB PRO 31 5.688 1.994 -8.090 243 HB3 PRO 31 2HB PRO 31 7.411 2.133 -7.716 244 HG2 PRO 31 1HG PRO 31 5.175 1.286 -5.939 245 HG3 PRO 31 2HG PRO 31 6.786 0.572 -6.134 246 HD2 PRO 31 1HD PRO 31 6.144 2.254 -4.073 247 HD3 PRO 31 2HD PRO 31 7.785 2.136 -4.735 248 H PHE 32 H PHE 32 4.242 3.248 -5.383 249 HA PHE 32 HA PHE 32 2.150 4.058 -7.234 250 HB2 PHE 32 1HB PHE 32 2.234 2.959 -4.432 251 HB3 PHE 32 2HB PHE 32 0.728 3.595 -5.087 252 HD1 PHE 32 HD1 PHE 32 -0.188 2.626 -7.244 253 HD2 PHE 32 HD2 PHE 32 3.053 0.821 -5.081 254 HE1 PHE 32 HE1 PHE 32 -0.559 0.498 -8.463 255 HE2 PHE 32 HE2 PHE 32 2.683 -1.307 -6.299 256 HZ PHE 32 HZ PHE 32 0.877 -1.468 -7.991 257 H TRP 33 H TRP 33 2.724 5.064 -3.846 258 HA TRP 33 HA TRP 33 1.587 7.721 -4.487 259 HB2 TRP 33 1HB TRP 33 2.020 7.991 -1.922 260 HB3 TRP 33 2HB TRP 33 0.725 6.921 -2.454 261 HD1 TRP 33 HD1 TRP 33 4.142 6.920 -0.828 262 HE1 TRP 33 HE1 TRP 33 4.676 4.540 0.016 263 HE3 TRP 33 HE3 TRP 33 0.263 4.353 -2.922 264 HZ2 TRP 33 HZ2 TRP 33 3.606 1.907 -0.178 265 HZ3 TRP 33 HZ3 TRP 33 0.046 1.908 -2.586 266 HH2 TRP 33 HH2 TRP 33 1.710 0.680 -1.213 Start of MODEL 18 1 H1 ASN 1 1H ASN 1 -25.066 2.015 -0.894 2 H2 ASN 1 2H ASN 1 -23.639 2.251 -0.003 3 H3 ASN 1 3H ASN 1 -24.948 3.317 0.186 4 HA ASN 1 HA ASN 1 -26.295 1.459 1.060 5 HB2 ASN 1 1HB ASN 1 -23.649 0.007 1.252 6 HB3 ASN 1 2HB ASN 1 -25.265 -0.629 1.561 7 HD21 ASN 1 2HD2 ASN 1 -23.057 -1.331 -0.529 8 HD22 ASN 1 1HD2 ASN 1 -23.907 -1.359 -1.997 9 H GLU 2 H GLU 2 -26.007 0.823 3.448 10 HA GLU 2 HA GLU 2 -25.283 3.040 5.000 11 HB2 GLU 2 1HB GLU 2 -25.017 0.213 6.031 12 HB3 GLU 2 2HB GLU 2 -25.543 1.652 6.906 13 HG2 GLU 2 1HG GLU 2 -27.509 1.749 5.270 14 HG3 GLU 2 2HG GLU 2 -27.044 0.120 4.776 15 H LEU 3 H LEU 3 -23.387 0.025 4.780 16 HA LEU 3 HA LEU 3 -21.048 0.878 6.052 17 HB2 LEU 3 1HB LEU 3 -21.074 -0.767 3.512 18 HB3 LEU 3 2HB LEU 3 -19.844 -0.771 4.773 19 HG LEU 3 HG LEU 3 -22.640 -1.915 4.861 20 HD11 LEU 3 1HD1 LEU 3 -21.391 -3.883 5.696 21 HD12 LEU 3 2HD1 LEU 3 -19.893 -2.954 5.607 22 HD13 LEU 3 3HD1 LEU 3 -20.777 -3.344 4.132 23 HD21 LEU 3 3HD2 LEU 3 -22.153 -2.345 7.331 24 HD22 LEU 3 1HD2 LEU 3 -22.552 -0.676 6.924 25 HD23 LEU 3 2HD2 LEU 3 -20.873 -1.141 7.204 26 H ASP 4 H ASP 4 -18.920 1.381 4.943 27 HA ASP 4 HA ASP 4 -19.200 3.745 3.313 28 HB2 ASP 4 1HB ASP 4 -16.931 2.116 4.360 29 HB3 ASP 4 2HB ASP 4 -16.595 3.231 3.051 30 H VAL 5 H VAL 5 -17.703 3.680 1.210 31 HA VAL 5 HA VAL 5 -18.721 1.392 -0.398 32 HB VAL 5 HB VAL 5 -18.254 4.288 -0.939 33 HG11 VAL 5 1HG1 VAL 5 -18.144 2.097 -3.036 34 HG12 VAL 5 2HG1 VAL 5 -16.885 3.292 -2.701 35 HG13 VAL 5 3HG1 VAL 5 -18.425 3.797 -3.406 36 HG21 VAL 5 3HG2 VAL 5 -20.447 3.237 -0.327 37 HG22 VAL 5 1HG2 VAL 5 -20.387 2.370 -1.867 38 HG23 VAL 5 2HG2 VAL 5 -20.457 4.134 -1.855 39 HA PRO 6 HA PRO 6 -14.218 1.343 -1.640 40 HB2 PRO 6 1HB PRO 6 -12.491 3.263 -1.102 41 HB3 PRO 6 2HB PRO 6 -13.816 3.578 -2.250 42 HG2 PRO 6 1HG PRO 6 -13.662 4.263 0.658 43 HG3 PRO 6 2HG PRO 6 -14.047 5.326 -0.714 44 HD2 PRO 6 1HD PRO 6 -15.997 4.098 0.795 45 HD3 PRO 6 2HD PRO 6 -16.190 4.514 -0.914 46 H GLU 7 H GLU 7 -14.928 0.010 0.444 47 HA GLU 7 HA GLU 7 -13.301 0.560 2.801 48 HB2 GLU 7 1HB GLU 7 -15.437 -0.250 3.371 49 HB3 GLU 7 2HB GLU 7 -15.449 -1.421 2.054 50 HG2 GLU 7 1HG GLU 7 -13.924 -2.846 3.166 51 HG3 GLU 7 2HG GLU 7 -13.513 -1.607 4.351 52 H GLN 8 H GLN 8 -13.454 -1.898 0.196 53 HA GLN 8 HA GLN 8 -11.349 -3.566 1.095 54 HB2 GLN 8 1HB GLN 8 -11.659 -2.714 -1.787 55 HB3 GLN 8 2HB GLN 8 -11.084 -4.260 -1.164 56 HG2 GLN 8 1HG GLN 8 -13.896 -3.177 -1.064 57 HG3 GLN 8 2HG GLN 8 -13.322 -4.601 -1.894 58 HE21 GLN 8 2HE2 GLN 8 -13.702 -6.463 -0.847 59 HE22 GLN 8 1HE2 GLN 8 -13.897 -6.657 0.826 60 H VAL 9 H VAL 9 -11.327 -0.548 -0.698 61 HA VAL 9 HA VAL 9 -8.671 -0.053 -1.260 62 HB VAL 9 HB VAL 9 -10.635 1.837 0.051 63 HG11 VAL 9 1HG1 VAL 9 -7.988 2.269 -1.298 64 HG12 VAL 9 2HG1 VAL 9 -8.582 2.914 0.238 65 HG13 VAL 9 3HG1 VAL 9 -9.215 3.538 -1.289 66 HG21 VAL 9 3HG2 VAL 9 -10.787 2.568 -2.488 67 HG22 VAL 9 1HG2 VAL 9 -11.737 1.204 -1.893 68 HG23 VAL 9 2HG2 VAL 9 -10.236 0.919 -2.781 69 H ASP 10 H ASP 10 -10.179 1.194 1.679 70 HA ASP 10 HA ASP 10 -7.934 1.791 3.180 71 HB2 ASP 10 1HB ASP 10 -10.156 2.315 3.955 72 HB3 ASP 10 2HB ASP 10 -10.589 0.604 4.045 73 H LYS 11 H LYS 11 -9.344 -1.399 2.629 74 HA LYS 11 HA LYS 11 -7.492 -2.699 4.484 75 HB2 LYS 11 1HB LYS 11 -9.210 -3.906 2.302 76 HB3 LYS 11 2HB LYS 11 -8.344 -4.805 3.539 77 HG2 LYS 11 1HG LYS 11 -9.680 -3.715 5.282 78 HG3 LYS 11 2HG LYS 11 -10.536 -2.785 4.048 79 HD2 LYS 11 1HD LYS 11 -11.258 -4.938 2.993 80 HD3 LYS 11 2HD LYS 11 -10.513 -5.804 4.337 81 HE2 LYS 11 1HE LYS 11 -12.537 -3.645 4.866 82 HE3 LYS 11 2HE LYS 11 -13.060 -5.274 4.451 83 HZ1 LYS 11 3HZ LYS 11 -12.913 -5.323 6.747 84 HZ2 LYS 11 1HZ LYS 11 -11.510 -4.370 6.792 85 HZ3 LYS 11 2HZ LYS 11 -11.422 -5.985 6.270 86 H LEU 12 H LEU 12 -7.781 -2.197 0.997 87 HA LEU 12 HA LEU 12 -5.574 -3.711 0.119 88 HB2 LEU 12 1HB LEU 12 -6.676 -1.122 -0.832 89 HB3 LEU 12 2HB LEU 12 -5.437 -1.985 -1.671 90 HG LEU 12 HG LEU 12 -8.289 -2.348 -1.809 91 HD11 LEU 12 1HD1 LEU 12 -5.980 -3.734 -3.140 92 HD12 LEU 12 2HD1 LEU 12 -6.782 -2.265 -3.705 93 HD13 LEU 12 3HD1 LEU 12 -7.654 -3.801 -3.702 94 HD21 LEU 12 3HD2 LEU 12 -8.550 -4.728 -1.607 95 HD22 LEU 12 1HD2 LEU 12 -7.900 -4.169 -0.074 96 HD23 LEU 12 2HD2 LEU 12 -6.842 -4.947 -1.250 97 H ILE 13 H ILE 13 -5.719 -0.308 1.024 98 HA ILE 13 HA ILE 13 -3.098 0.475 0.942 99 HB ILE 13 HB ILE 13 -5.446 1.016 2.706 100 HG12 ILE 13 1HG1 ILE 13 -5.023 3.317 1.894 101 HG13 ILE 13 2HG1 ILE 13 -3.633 2.732 0.993 102 HG21 ILE 13 1HG2 ILE 13 -2.631 1.869 3.379 103 HG22 ILE 13 2HG2 ILE 13 -3.830 1.107 4.430 104 HG23 ILE 13 3HG2 ILE 13 -4.047 2.783 3.914 105 HD11 ILE 13 3HD1 ILE 13 -5.156 1.189 -0.240 106 HD12 ILE 13 1HD1 ILE 13 -5.569 2.884 -0.480 107 HD13 ILE 13 2HD1 ILE 13 -6.516 1.899 0.628 108 H GLN 14 H GLN 14 -4.632 -1.359 3.613 109 HA GLN 14 HA GLN 14 -2.396 -1.484 5.306 110 HB2 GLN 14 1HB GLN 14 -4.518 -3.600 4.913 111 HB3 GLN 14 2HB GLN 14 -3.449 -3.444 6.294 112 HG2 GLN 14 1HG GLN 14 -4.437 -1.409 6.991 113 HG3 GLN 14 2HG GLN 14 -5.255 -1.200 5.448 114 HE21 GLN 14 2HE2 GLN 14 -7.081 -1.023 7.323 115 HE22 GLN 14 1HE2 GLN 14 -7.915 -2.472 7.613 116 H GLN 15 H GLN 15 -3.380 -3.817 2.781 117 HA GLN 15 HA GLN 15 -0.974 -5.393 3.229 118 HB2 GLN 15 1HB GLN 15 -1.568 -6.428 0.960 119 HB3 GLN 15 2HB GLN 15 -2.747 -6.622 2.252 120 HG2 GLN 15 1HG GLN 15 -4.026 -4.729 1.389 121 HG3 GLN 15 2HG GLN 15 -2.848 -4.507 0.094 122 HE21 GLN 15 2HE2 GLN 15 -4.290 -5.055 -1.652 123 HE22 GLN 15 1HE2 GLN 15 -4.927 -6.616 -1.848 124 H ALA 16 H ALA 16 -1.595 -2.456 1.709 125 HA ALA 16 HA ALA 16 0.681 -2.650 -0.187 126 HB1 ALA 16 3HB ALA 16 -0.917 -0.163 0.463 127 HB2 ALA 16 1HB ALA 16 -1.557 -1.405 -0.615 128 HB3 ALA 16 2HB ALA 16 -0.063 -0.563 -1.029 129 H THR 17 H THR 17 -0.124 -1.415 2.996 130 HA THR 17 HA THR 17 1.920 0.493 3.343 131 HB THR 17 HB THR 17 0.326 -1.312 5.123 132 HG1 THR 17 HG1 THR 17 -0.577 0.614 4.665 133 HG21 THR 17 3HG2 THR 17 2.847 0.118 5.935 134 HG22 THR 17 1HG2 THR 17 2.366 -1.543 6.276 135 HG23 THR 17 2HG2 THR 17 1.553 -0.206 7.090 136 H SER 18 H SER 18 1.957 -3.052 3.727 137 HA SER 18 HA SER 18 4.652 -3.275 4.625 138 HB2 SER 18 1HB SER 18 4.399 -5.605 3.443 139 HB3 SER 18 2HB SER 18 3.396 -5.245 4.841 140 HG SER 18 HG SER 18 2.693 -5.702 2.263 141 H ILE 19 H ILE 19 3.239 -3.414 1.345 142 HA ILE 19 HA ILE 19 5.586 -3.798 -0.121 143 HB ILE 19 HB ILE 19 2.927 -2.497 -0.605 144 HG12 ILE 19 1HG1 ILE 19 3.086 -4.215 -2.585 145 HG13 ILE 19 2HG1 ILE 19 4.420 -4.884 -1.667 146 HG21 ILE 19 1HG2 ILE 19 5.312 -2.218 -2.407 147 HG22 ILE 19 2HG2 ILE 19 4.210 -0.967 -1.828 148 HG23 ILE 19 3HG2 ILE 19 3.658 -2.140 -3.021 149 HD11 ILE 19 3HD1 ILE 19 2.601 -6.111 -0.874 150 HD12 ILE 19 1HD1 ILE 19 1.525 -4.716 -0.920 151 HD13 ILE 19 2HD1 ILE 19 2.755 -4.842 0.337 152 H GLU 20 H GLU 20 4.314 -0.920 1.452 153 HA GLU 20 HA GLU 20 5.936 1.039 0.200 154 HB2 GLU 20 1HB GLU 20 3.996 1.243 1.970 155 HB3 GLU 20 2HB GLU 20 5.298 1.155 3.148 156 HG2 GLU 20 1HG GLU 20 5.218 3.144 0.859 157 HG3 GLU 20 2HG GLU 20 4.689 3.496 2.501 158 H ARG 21 H ARG 21 6.557 -0.886 3.151 159 HA ARG 21 HA ARG 21 9.184 0.141 3.613 160 HB2 ARG 21 1HB ARG 21 7.831 -2.469 4.355 161 HB3 ARG 21 2HB ARG 21 9.480 -2.102 4.836 162 HG2 ARG 21 1HG ARG 21 8.281 -1.352 6.697 163 HG3 ARG 21 2HG ARG 21 8.432 0.135 5.768 164 HD2 ARG 21 1HD ARG 21 6.186 -0.217 4.822 165 HD3 ARG 21 2HD ARG 21 6.041 -1.731 5.710 166 HE ARG 21 HE ARG 21 5.659 0.925 6.811 167 HH11 ARG 21 1HH2 ARG 21 6.745 -2.292 7.422 168 HH12 ARG 21 2HH2 ARG 21 6.413 -2.222 9.121 169 HH21 ARG 21 1HH1 ARG 21 5.222 1.034 9.023 170 HH22 ARG 21 2HH1 ARG 21 5.552 -0.338 10.027 171 H LEU 22 H LEU 22 7.997 -2.611 1.704 172 HA LEU 22 HA LEU 22 10.621 -3.566 0.960 173 HB2 LEU 22 1HB LEU 22 8.046 -3.915 -0.590 174 HB3 LEU 22 2HB LEU 22 9.467 -4.938 -0.635 175 HG LEU 22 HG LEU 22 7.509 -4.625 1.588 176 HD11 LEU 22 1HD1 LEU 22 8.576 -6.990 0.059 177 HD12 LEU 22 2HD1 LEU 22 6.980 -6.267 -0.136 178 HD13 LEU 22 3HD1 LEU 22 7.398 -7.087 1.368 179 HD21 LEU 22 3HD2 LEU 22 10.301 -5.766 1.668 180 HD22 LEU 22 1HD2 LEU 22 9.060 -6.276 2.813 181 HD23 LEU 22 2HD2 LEU 22 9.579 -4.593 2.771 182 H CYS 23 H CYS 23 8.162 -1.863 -1.008 183 HA CYS 23 HA CYS 23 9.715 -1.319 -3.248 184 HB2 CYS 23 1HB CYS 23 8.122 0.281 -3.816 185 HB3 CYS 23 2HB CYS 23 7.234 -0.696 -2.659 186 HG CYS 23 HG CYS 23 6.881 1.487 -1.517 187 H GLN 24 H GLN 24 9.586 0.679 -0.263 188 HA GLN 24 HA GLN 24 11.377 2.690 -1.069 189 HB2 GLN 24 1HB GLN 24 10.786 1.387 1.590 190 HB3 GLN 24 2HB GLN 24 12.030 2.622 1.463 191 HG2 GLN 24 1HG GLN 24 10.347 4.155 0.426 192 HG3 GLN 24 2HG GLN 24 9.112 2.930 0.717 193 HE21 GLN 24 2HE2 GLN 24 10.313 5.721 2.035 194 HE22 GLN 24 1HE2 GLN 24 9.969 5.437 3.674 195 H HIS 25 H HIS 25 11.909 -0.657 -0.424 196 HA HIS 25 HA HIS 25 14.858 -0.325 -0.267 197 HB2 HIS 25 1HB HIS 25 13.285 -1.984 1.110 198 HB3 HIS 25 2HB HIS 25 13.474 -3.003 -0.305 199 HD1 HIS 25 HD1 HIS 25 16.514 -1.709 -0.699 200 HD2 HIS 25 HD2 HIS 25 15.001 -3.840 2.552 201 HE1 HIS 25 HE1 HIS 25 18.515 -2.682 0.516 202 HE2 HIS 25 HE2 HIS 25 17.604 -3.980 2.495 203 H TYR 26 H TYR 26 12.603 -2.432 -2.031 204 HA TYR 26 HA TYR 26 14.311 -3.310 -4.048 205 HB2 TYR 26 1HB TYR 26 11.342 -2.798 -4.007 206 HB3 TYR 26 2HB TYR 26 12.128 -3.416 -5.455 207 HD1 TYR 26 HD1 TYR 26 11.270 -4.130 -1.939 208 HD2 TYR 26 HD2 TYR 26 13.096 -5.651 -5.516 209 HE1 TYR 26 HE1 TYR 26 11.261 -6.413 -0.971 210 HE2 TYR 26 HE2 TYR 26 13.088 -7.935 -4.550 211 HH TYR 26 HH TYR 26 13.016 -9.001 -2.356 212 H ILE 27 H ILE 27 11.906 -0.685 -4.727 213 HA ILE 27 HA ILE 27 13.597 0.165 -6.949 214 HB ILE 27 HB ILE 27 11.130 0.221 -7.138 215 HG12 ILE 27 1HG1 ILE 27 12.416 2.943 -7.314 216 HG13 ILE 27 2HG1 ILE 27 12.619 1.669 -8.503 217 HG21 ILE 27 1HG2 ILE 27 11.343 2.423 -5.098 218 HG22 ILE 27 2HG2 ILE 27 10.566 0.865 -4.873 219 HG23 ILE 27 3HG2 ILE 27 9.904 2.025 -6.017 220 HD11 ILE 27 3HD1 ILE 27 10.041 3.056 -7.751 221 HD12 ILE 27 1HD1 ILE 27 10.122 1.624 -8.780 222 HD13 ILE 27 2HD1 ILE 27 10.877 3.130 -9.302 223 H GLY 28 H GLY 28 12.830 1.355 -3.715 224 HA2 GLY 28 1HA GLY 28 14.726 2.584 -2.596 225 HA3 GLY 28 2HA GLY 28 14.907 3.496 -4.089 226 H TRP 29 H TRP 29 12.155 3.917 -4.638 227 HA TRP 29 HA TRP 29 11.305 5.666 -2.347 228 HB2 TRP 29 1HB TRP 29 10.555 7.305 -4.021 229 HB3 TRP 29 2HB TRP 29 12.276 6.969 -4.216 230 HD1 TRP 29 HD1 TRP 29 12.749 4.838 -6.036 231 HE1 TRP 29 HE1 TRP 29 11.685 4.530 -8.362 232 HE3 TRP 29 HE3 TRP 29 8.676 7.879 -5.561 233 HZ2 TRP 29 HZ2 TRP 29 9.439 5.460 -9.834 234 HZ3 TRP 29 HZ3 TRP 29 7.093 8.156 -7.452 235 HH2 TRP 29 HH2 TRP 29 7.469 6.947 -9.585 236 H CYS 30 H CYS 30 8.884 6.487 -3.599 237 HA CYS 30 HA CYS 30 7.303 4.002 -3.278 238 HB2 CYS 30 1HB CYS 30 5.395 5.800 -3.460 239 HB3 CYS 30 2HB CYS 30 6.368 5.711 -1.993 240 HG CYS 30 HG CYS 30 6.153 8.168 -3.489 241 HA PRO 31 HA PRO 31 7.219 4.215 -7.846 242 HB2 PRO 31 1HB PRO 31 6.255 1.667 -8.290 243 HB3 PRO 31 2HB PRO 31 7.960 2.064 -8.057 244 HG2 PRO 31 1HG PRO 31 6.072 0.781 -6.193 245 HG3 PRO 31 2HG PRO 31 7.838 0.681 -6.263 246 HD2 PRO 31 1HD PRO 31 6.328 2.229 -4.431 247 HD3 PRO 31 2HD PRO 31 8.069 2.349 -4.710 248 H PHE 32 H PHE 32 4.541 2.634 -6.090 249 HA PHE 32 HA PHE 32 2.576 3.344 -8.083 250 HB2 PHE 32 1HB PHE 32 2.510 2.152 -5.322 251 HB3 PHE 32 2HB PHE 32 1.009 2.735 -6.034 252 HD1 PHE 32 HD1 PHE 32 4.023 0.880 -7.309 253 HD2 PHE 32 HD2 PHE 32 -0.260 1.024 -7.002 254 HE1 PHE 32 HE1 PHE 32 3.859 -1.201 -8.642 255 HE2 PHE 32 HE2 PHE 32 -0.423 -1.059 -8.335 256 HZ PHE 32 HZ PHE 32 1.636 -2.172 -9.156 257 H TRP 33 H TRP 33 2.863 4.393 -4.669 258 HA TRP 33 HA TRP 33 1.441 6.901 -5.360 259 HB2 TRP 33 1HB TRP 33 1.727 7.183 -2.762 260 HB3 TRP 33 2HB TRP 33 0.558 6.016 -3.379 261 HD1 TRP 33 HD1 TRP 33 3.878 6.275 -1.581 262 HE1 TRP 33 HE1 TRP 33 4.573 3.932 -0.749 263 HE3 TRP 33 HE3 TRP 33 0.344 3.428 -3.909 264 HZ2 TRP 33 HZ2 TRP 33 3.745 1.221 -1.040 265 HZ3 TRP 33 HZ3 TRP 33 0.322 0.968 -3.624 266 HH2 TRP 33 HH2 TRP 33 2.014 -0.141 -2.189 Start of MODEL 19 1 H1 ASN 1 1H ASN 1 -27.224 -0.396 2.274 2 H2 ASN 1 2H ASN 1 -26.066 -1.260 3.167 3 H3 ASN 1 3H ASN 1 -25.910 -1.119 1.481 4 HA ASN 1 HA ASN 1 -24.694 0.696 1.731 5 HB2 ASN 1 1HB ASN 1 -27.041 1.723 1.664 6 HB3 ASN 1 2HB ASN 1 -26.910 1.876 3.416 7 HD21 ASN 1 2HD2 ASN 1 -23.790 2.174 2.543 8 HD22 ASN 1 1HD2 ASN 1 -23.692 3.848 2.280 9 H GLU 2 H GLU 2 -25.735 -1.015 4.467 10 HA GLU 2 HA GLU 2 -24.704 0.341 6.670 11 HB2 GLU 2 1HB GLU 2 -25.785 -1.982 6.597 12 HB3 GLU 2 2HB GLU 2 -24.178 -2.598 6.211 13 HG2 GLU 2 1HG GLU 2 -23.280 -1.635 8.276 14 HG3 GLU 2 2HG GLU 2 -24.855 -0.937 8.655 15 H LEU 3 H LEU 3 -22.796 -2.104 4.905 16 HA LEU 3 HA LEU 3 -20.290 -1.203 5.961 17 HB2 LEU 3 1HB LEU 3 -20.716 -2.657 3.346 18 HB3 LEU 3 2HB LEU 3 -19.253 -2.630 4.326 19 HG LEU 3 HG LEU 3 -21.868 -4.043 4.876 20 HD11 LEU 3 1HD1 LEU 3 -20.310 -5.932 5.273 21 HD12 LEU 3 2HD1 LEU 3 -18.949 -4.857 4.942 22 HD13 LEU 3 3HD1 LEU 3 -20.103 -5.239 3.664 23 HD21 LEU 3 3HD2 LEU 3 -20.842 -4.599 7.148 24 HD22 LEU 3 1HD2 LEU 3 -21.447 -2.951 6.982 25 HD23 LEU 3 2HD2 LEU 3 -19.715 -3.272 6.873 26 H ASP 4 H ASP 4 -18.528 -0.254 4.655 27 HA ASP 4 HA ASP 4 -19.452 2.040 3.143 28 HB2 ASP 4 1HB ASP 4 -16.775 0.940 3.904 29 HB3 ASP 4 2HB ASP 4 -16.882 2.225 2.718 30 H VAL 5 H VAL 5 -18.179 2.336 0.940 31 HA VAL 5 HA VAL 5 -18.819 -0.090 -0.652 32 HB VAL 5 HB VAL 5 -18.919 2.851 -1.110 33 HG11 VAL 5 1HG1 VAL 5 -18.494 0.801 -3.305 34 HG12 VAL 5 2HG1 VAL 5 -17.491 2.220 -2.977 35 HG13 VAL 5 3HG1 VAL 5 -19.139 2.418 -3.590 36 HG21 VAL 5 3HG2 VAL 5 -20.707 0.603 -2.033 37 HG22 VAL 5 1HG2 VAL 5 -21.101 2.322 -1.930 38 HG23 VAL 5 2HG2 VAL 5 -20.846 1.381 -0.451 39 HA PRO 6 HA PRO 6 -14.487 0.768 -2.243 40 HB2 PRO 6 1HB PRO 6 -13.092 2.927 -1.638 41 HB3 PRO 6 2HB PRO 6 -14.527 3.095 -2.673 42 HG2 PRO 6 1HG PRO 6 -14.287 3.534 0.283 43 HG3 PRO 6 2HG PRO 6 -14.945 4.627 -0.958 44 HD2 PRO 6 1HD PRO 6 -16.543 2.963 0.513 45 HD3 PRO 6 2HD PRO 6 -16.907 3.450 -1.147 46 H GLU 7 H GLU 7 -15.375 0.086 0.587 47 HA GLU 7 HA GLU 7 -13.427 0.387 2.506 48 HB2 GLU 7 1HB GLU 7 -15.684 -1.139 2.315 49 HB3 GLU 7 2HB GLU 7 -14.466 -2.411 2.238 50 HG2 GLU 7 1HG GLU 7 -13.417 -1.312 4.301 51 HG3 GLU 7 2HG GLU 7 -14.904 -0.375 4.421 52 H GLN 8 H GLN 8 -13.224 -1.774 -0.316 53 HA GLN 8 HA GLN 8 -10.971 -3.289 0.407 54 HB2 GLN 8 1HB GLN 8 -11.132 -2.014 -2.327 55 HB3 GLN 8 2HB GLN 8 -10.594 -3.639 -1.892 56 HG2 GLN 8 1HG GLN 8 -13.030 -4.007 -1.075 57 HG3 GLN 8 2HG GLN 8 -13.412 -2.562 -2.012 58 HE21 GLN 8 2HE2 GLN 8 -12.551 -5.955 -2.233 59 HE22 GLN 8 1HE2 GLN 8 -12.672 -6.074 -3.923 60 H VAL 9 H VAL 9 -11.171 0.028 -0.731 61 HA VAL 9 HA VAL 9 -8.511 0.780 -0.994 62 HB VAL 9 HB VAL 9 -10.828 2.272 0.261 63 HG11 VAL 9 1HG1 VAL 9 -8.057 3.167 -0.505 64 HG12 VAL 9 2HG1 VAL 9 -8.929 3.431 1.011 65 HG13 VAL 9 3HG1 VAL 9 -9.413 4.297 -0.451 66 HG21 VAL 9 3HG2 VAL 9 -10.876 3.359 -1.995 67 HG22 VAL 9 1HG2 VAL 9 -11.264 1.637 -2.016 68 HG23 VAL 9 2HG2 VAL 9 -9.667 2.190 -2.529 69 H ASP 10 H ASP 10 -10.414 1.402 1.922 70 HA ASP 10 HA ASP 10 -8.397 1.960 3.730 71 HB2 ASP 10 1HB ASP 10 -10.736 2.093 4.341 72 HB3 ASP 10 2HB ASP 10 -10.934 0.349 4.145 73 H LYS 11 H LYS 11 -9.487 -1.242 2.675 74 HA LYS 11 HA LYS 11 -7.593 -2.608 4.414 75 HB2 LYS 11 1HB LYS 11 -8.939 -3.780 1.981 76 HB3 LYS 11 2HB LYS 11 -8.276 -4.636 3.374 77 HG2 LYS 11 1HG LYS 11 -9.984 -3.715 4.820 78 HG3 LYS 11 2HG LYS 11 -10.588 -2.694 3.520 79 HD2 LYS 11 1HD LYS 11 -11.090 -4.770 2.200 80 HD3 LYS 11 2HD LYS 11 -10.625 -5.723 3.608 81 HE2 LYS 11 1HE LYS 11 -12.723 -3.566 3.804 82 HE3 LYS 11 2HE LYS 11 -13.134 -5.205 3.303 83 HZ1 LYS 11 3HZ LYS 11 -11.612 -5.648 5.466 84 HZ2 LYS 11 1HZ LYS 11 -13.306 -5.574 5.487 85 HZ3 LYS 11 2HZ LYS 11 -12.392 -4.204 5.907 86 H LEU 12 H LEU 12 -7.612 -1.390 1.107 87 HA LEU 12 HA LEU 12 -5.216 -2.703 0.233 88 HB2 LEU 12 1HB LEU 12 -6.464 -0.108 -0.508 89 HB3 LEU 12 2HB LEU 12 -5.070 -0.746 -1.299 90 HG LEU 12 HG LEU 12 -7.857 -1.338 -1.775 91 HD11 LEU 12 1HD1 LEU 12 -5.310 -2.263 -3.071 92 HD12 LEU 12 2HD1 LEU 12 -6.201 -0.792 -3.473 93 HD13 LEU 12 3HD1 LEU 12 -6.913 -2.375 -3.803 94 HD21 LEU 12 3HD2 LEU 12 -7.834 -3.738 -1.977 95 HD22 LEU 12 1HD2 LEU 12 -7.400 -3.369 -0.316 96 HD23 LEU 12 2HD2 LEU 12 -6.152 -3.823 -1.476 97 H ILE 13 H ILE 13 -5.850 0.493 1.595 98 HA ILE 13 HA ILE 13 -3.307 1.494 1.967 99 HB ILE 13 HB ILE 13 -5.887 1.545 3.472 100 HG12 ILE 13 1HG1 ILE 13 -5.616 3.968 3.093 101 HG13 ILE 13 2HG1 ILE 13 -4.068 3.667 2.318 102 HG21 ILE 13 1HG2 ILE 13 -4.788 3.178 5.121 103 HG22 ILE 13 2HG2 ILE 13 -3.253 2.449 4.630 104 HG23 ILE 13 3HG2 ILE 13 -4.503 1.451 5.387 105 HD11 ILE 13 3HD1 ILE 13 -5.834 3.907 0.637 106 HD12 ILE 13 1HD1 ILE 13 -6.765 2.633 1.417 107 HD13 ILE 13 2HD1 ILE 13 -5.228 2.253 0.640 108 H GLN 14 H GLN 14 -5.049 -0.738 4.119 109 HA GLN 14 HA GLN 14 -3.145 -1.060 6.111 110 HB2 GLN 14 1HB GLN 14 -5.337 -2.752 5.015 111 HB3 GLN 14 2HB GLN 14 -4.160 -3.569 6.011 112 HG2 GLN 14 1HG GLN 14 -5.834 -2.920 7.516 113 HG3 GLN 14 2HG GLN 14 -4.587 -1.694 7.737 114 HE21 GLN 14 2HE2 GLN 14 -7.841 -2.292 6.545 115 HE22 GLN 14 1HE2 GLN 14 -8.229 -0.669 6.239 116 H GLN 15 H GLN 15 -3.372 -2.948 3.066 117 HA GLN 15 HA GLN 15 -0.799 -4.219 3.737 118 HB2 GLN 15 1HB GLN 15 -1.053 -5.534 1.723 119 HB3 GLN 15 2HB GLN 15 -2.575 -5.534 2.601 120 HG2 GLN 15 1HG GLN 15 -3.194 -5.187 0.355 121 HG3 GLN 15 2HG GLN 15 -3.258 -3.593 1.077 122 HE21 GLN 15 2HE2 GLN 15 -2.221 -2.008 -0.146 123 HE22 GLN 15 1HE2 GLN 15 -0.937 -2.293 -1.219 124 H ALA 16 H ALA 16 -1.827 -1.379 2.218 125 HA ALA 16 HA ALA 16 0.349 -1.136 0.293 126 HB1 ALA 16 3HB ALA 16 -0.544 0.973 -0.172 127 HB2 ALA 16 1HB ALA 16 -1.057 1.244 1.496 128 HB3 ALA 16 2HB ALA 16 -1.964 0.139 0.462 129 H THR 17 H THR 17 -0.157 -0.217 3.691 130 HA THR 17 HA THR 17 2.040 1.493 4.042 131 HB THR 17 HB THR 17 0.552 -0.447 5.795 132 HG1 THR 17 HG1 THR 17 0.062 1.884 5.123 133 HG21 THR 17 3HG2 THR 17 1.929 0.539 7.714 134 HG22 THR 17 1HG2 THR 17 3.100 1.004 6.481 135 HG23 THR 17 2HG2 THR 17 2.707 -0.695 6.725 136 H SER 18 H SER 18 1.879 -2.074 4.137 137 HA SER 18 HA SER 18 4.618 -2.520 4.765 138 HB2 SER 18 1HB SER 18 4.171 -4.751 4.307 139 HB3 SER 18 2HB SER 18 2.525 -4.163 4.498 140 HG SER 18 HG SER 18 2.210 -4.345 2.406 141 H ILE 19 H ILE 19 2.973 -2.410 1.572 142 HA ILE 19 HA ILE 19 5.142 -2.764 -0.109 143 HB ILE 19 HB ILE 19 2.590 -1.194 -0.224 144 HG12 ILE 19 1HG1 ILE 19 2.411 -2.667 -2.368 145 HG13 ILE 19 2HG1 ILE 19 3.782 -3.528 -1.706 146 HG21 ILE 19 1HG2 ILE 19 3.163 -0.611 -2.633 147 HG22 ILE 19 2HG2 ILE 19 4.845 -0.918 -2.191 148 HG23 ILE 19 3HG2 ILE 19 3.933 0.352 -1.376 149 HD11 ILE 19 3HD1 ILE 19 1.046 -3.210 -0.501 150 HD12 ILE 19 1HD1 ILE 19 2.430 -3.756 0.443 151 HD13 ILE 19 2HD1 ILE 19 1.875 -4.703 -0.933 152 H GLU 20 H GLU 20 4.424 -0.075 1.991 153 HA GLU 20 HA GLU 20 6.119 1.879 0.752 154 HB2 GLU 20 1HB GLU 20 4.326 2.001 2.738 155 HB3 GLU 20 2HB GLU 20 5.759 1.813 3.740 156 HG2 GLU 20 1HG GLU 20 5.384 3.940 1.606 157 HG3 GLU 20 2HG GLU 20 5.229 4.198 3.343 158 H ARG 21 H ARG 21 6.671 -0.657 3.152 159 HA ARG 21 HA ARG 21 9.474 0.097 3.538 160 HB2 ARG 21 1HB ARG 21 7.828 -2.288 4.441 161 HB3 ARG 21 2HB ARG 21 9.520 -2.063 4.851 162 HG2 ARG 21 1HG ARG 21 8.566 -1.071 6.718 163 HG3 ARG 21 2HG ARG 21 8.642 0.341 5.670 164 HD2 ARG 21 1HD ARG 21 6.418 0.455 6.319 165 HD3 ARG 21 2HD ARG 21 6.239 -0.570 4.896 166 HE ARG 21 HE ARG 21 5.636 -2.335 6.335 167 HH11 ARG 21 1HH2 ARG 21 7.332 0.167 7.995 168 HH12 ARG 21 2HH2 ARG 21 7.108 -0.538 9.561 169 HH21 ARG 21 1HH1 ARG 21 5.335 -3.270 8.372 170 HH22 ARG 21 2HH1 ARG 21 5.978 -2.484 9.775 171 H LEU 22 H LEU 22 7.623 -2.164 1.587 172 HA LEU 22 HA LEU 22 9.864 -3.798 0.771 173 HB2 LEU 22 1HB LEU 22 7.322 -3.279 -0.787 174 HB3 LEU 22 2HB LEU 22 8.382 -4.667 -0.907 175 HG LEU 22 HG LEU 22 6.557 -3.948 1.334 176 HD11 LEU 22 1HD1 LEU 22 5.750 -6.250 0.958 177 HD12 LEU 22 2HD1 LEU 22 6.946 -6.430 -0.325 178 HD13 LEU 22 3HD1 LEU 22 5.631 -5.268 -0.503 179 HD21 LEU 22 3HD2 LEU 22 8.535 -4.572 2.516 180 HD22 LEU 22 1HD2 LEU 22 8.904 -5.843 1.349 181 HD23 LEU 22 2HD2 LEU 22 7.549 -6.033 2.462 182 H CYS 23 H CYS 23 8.069 -1.248 -0.990 183 HA CYS 23 HA CYS 23 9.644 -1.020 -3.258 184 HB2 CYS 23 1HB CYS 23 9.108 1.464 -3.153 185 HB3 CYS 23 2HB CYS 23 7.721 0.384 -3.057 186 HG CYS 23 HG CYS 23 8.766 2.172 -0.780 187 H GLN 24 H GLN 24 10.336 0.465 -0.077 188 HA GLN 24 HA GLN 24 12.605 1.948 -0.725 189 HB2 GLN 24 1HB GLN 24 11.875 0.329 1.718 190 HB3 GLN 24 2HB GLN 24 13.365 1.258 1.644 191 HG2 GLN 24 1HG GLN 24 10.663 2.476 1.060 192 HG3 GLN 24 2HG GLN 24 11.375 2.468 2.674 193 HE21 GLN 24 2HE2 GLN 24 11.058 4.438 0.034 194 HE22 GLN 24 1HE2 GLN 24 12.482 5.351 0.181 195 H HIS 25 H HIS 25 12.221 -1.526 -0.525 196 HA HIS 25 HA HIS 25 15.147 -1.959 -0.821 197 HB2 HIS 25 1HB HIS 25 13.400 -3.325 0.663 198 HB3 HIS 25 2HB HIS 25 13.123 -4.190 -0.838 199 HD1 HIS 25 HD1 HIS 25 15.931 -3.320 1.570 200 HD2 HIS 25 HD2 HIS 25 15.138 -6.013 -1.515 201 HE1 HIS 25 HE1 HIS 25 17.860 -4.963 1.538 202 HE2 HIS 25 HE2 HIS 25 17.388 -6.606 -0.336 203 H TYR 26 H TYR 26 12.228 -3.285 -2.343 204 HA TYR 26 HA TYR 26 13.302 -4.345 -4.654 205 HB2 TYR 26 1HB TYR 26 10.669 -2.953 -4.168 206 HB3 TYR 26 2HB TYR 26 11.050 -3.672 -5.730 207 HD1 TYR 26 HD2 TYR 26 11.381 -6.103 -5.962 208 HD2 TYR 26 HD1 TYR 26 10.295 -4.335 -2.205 209 HE1 TYR 26 HE2 TYR 26 10.765 -8.341 -5.088 210 HE2 TYR 26 HE1 TYR 26 9.677 -6.572 -1.328 211 HH TYR 26 HH TYR 26 10.320 -8.986 -1.847 212 H ILE 27 H ILE 27 11.734 -1.097 -4.825 213 HA ILE 27 HA ILE 27 13.555 -0.474 -7.086 214 HB ILE 27 HB ILE 27 11.051 -0.222 -7.284 215 HG12 ILE 27 1HG1 ILE 27 12.603 2.344 -7.603 216 HG13 ILE 27 2HG1 ILE 27 12.718 0.987 -8.708 217 HG21 ILE 27 1HG2 ILE 27 11.444 2.200 -5.580 218 HG22 ILE 27 2HG2 ILE 27 10.846 0.683 -4.931 219 HG23 ILE 27 3HG2 ILE 27 9.936 1.534 -6.179 220 HD11 ILE 27 3HD1 ILE 27 10.224 1.121 -9.020 221 HD12 ILE 27 1HD1 ILE 27 11.105 2.523 -9.629 222 HD13 ILE 27 2HD1 ILE 27 10.252 2.619 -8.088 223 H GLY 28 H GLY 28 12.532 0.874 -3.943 224 HA2 GLY 28 1HA GLY 28 14.453 1.853 -2.599 225 HA3 GLY 28 2HA GLY 28 14.904 2.719 -4.062 226 H TRP 29 H TRP 29 12.399 3.494 -4.956 227 HA TRP 29 HA TRP 29 11.455 5.358 -2.791 228 HB2 TRP 29 1HB TRP 29 11.052 7.016 -4.532 229 HB3 TRP 29 2HB TRP 29 12.717 6.450 -4.676 230 HD1 TRP 29 HD1 TRP 29 12.975 4.263 -6.439 231 HE1 TRP 29 HE1 TRP 29 11.894 3.988 -8.766 232 HE3 TRP 29 HE3 TRP 29 9.237 7.716 -6.092 233 HZ2 TRP 29 HZ2 TRP 29 9.765 5.104 -10.286 234 HZ3 TRP 29 HZ3 TRP 29 7.702 8.101 -8.001 235 HH2 TRP 29 HH2 TRP 29 7.960 6.797 -10.096 236 H CYS 30 H CYS 30 9.111 6.238 -3.694 237 HA CYS 30 HA CYS 30 7.442 3.848 -3.718 238 HB2 CYS 30 1HB CYS 30 5.606 5.671 -3.961 239 HB3 CYS 30 2HB CYS 30 6.540 5.623 -2.467 240 HG CYS 30 HG CYS 30 7.242 7.933 -2.981 241 HA PRO 31 HA PRO 31 7.566 4.072 -8.269 242 HB2 PRO 31 1HB PRO 31 6.370 1.651 -8.804 243 HB3 PRO 31 2HB PRO 31 8.085 1.841 -8.417 244 HG2 PRO 31 1HG PRO 31 5.888 0.817 -6.732 245 HG3 PRO 31 2HG PRO 31 7.623 0.463 -6.674 246 HD2 PRO 31 1HD PRO 31 6.222 2.201 -4.928 247 HD3 PRO 31 2HD PRO 31 7.980 2.077 -5.093 248 H PHE 32 H PHE 32 4.716 3.279 -6.353 249 HA PHE 32 HA PHE 32 2.851 3.893 -8.505 250 HB2 PHE 32 1HB PHE 32 2.595 3.182 -5.588 251 HB3 PHE 32 2HB PHE 32 1.201 3.762 -6.493 252 HD1 PHE 32 HD2 PHE 32 0.411 2.507 -8.515 253 HD2 PHE 32 HD1 PHE 32 3.464 0.974 -5.911 254 HE1 PHE 32 HE2 PHE 32 0.088 0.241 -9.471 255 HE2 PHE 32 HE1 PHE 32 3.141 -1.291 -6.868 256 HZ PHE 32 HZ PHE 32 1.454 -1.658 -8.647 257 H TRP 33 H TRP 33 3.118 5.302 -5.225 258 HA TRP 33 HA TRP 33 2.218 7.903 -6.318 259 HB2 TRP 33 1HB TRP 33 2.348 8.472 -3.769 260 HB3 TRP 33 2HB TRP 33 1.066 7.405 -4.334 261 HD1 TRP 33 HD1 TRP 33 4.257 7.449 -2.299 262 HE1 TRP 33 HE1 TRP 33 4.531 5.174 -1.108 263 HE3 TRP 33 HE3 TRP 33 0.497 4.824 -4.534 264 HZ2 TRP 33 HZ2 TRP 33 3.320 2.596 -1.107 265 HZ3 TRP 33 HZ3 TRP 33 0.081 2.458 -3.929 266 HH2 TRP 33 HH2 TRP 33 1.486 1.338 -2.215 Start of MODEL 20 1 H1 ASN 1 1H ASN 1 -25.020 2.958 5.010 2 H2 ASN 1 2H ASN 1 -26.280 3.559 5.978 3 H3 ASN 1 3H ASN 1 -25.876 4.338 4.523 4 HA ASN 1 HA ASN 1 -27.898 2.644 4.732 5 HB2 ASN 1 1HB ASN 1 -27.121 4.083 2.774 6 HB3 ASN 1 2HB ASN 1 -26.112 2.719 2.290 7 HD21 ASN 1 2HD2 ASN 1 -29.478 2.861 3.591 8 HD22 ASN 1 1HD2 ASN 1 -30.164 1.982 2.311 9 H GLU 2 H GLU 2 -24.939 1.462 3.103 10 HA GLU 2 HA GLU 2 -25.277 -1.166 4.489 11 HB2 GLU 2 1HB GLU 2 -24.802 -0.903 1.503 12 HB3 GLU 2 2HB GLU 2 -25.079 -2.389 2.416 13 HG2 GLU 2 1HG GLU 2 -27.325 -1.626 2.998 14 HG3 GLU 2 2HG GLU 2 -27.057 -0.130 2.108 15 H LEU 3 H LEU 3 -23.213 -1.932 2.247 16 HA LEU 3 HA LEU 3 -20.880 -1.723 3.869 17 HB2 LEU 3 1HB LEU 3 -20.925 -1.994 0.858 18 HB3 LEU 3 2HB LEU 3 -19.643 -2.495 1.958 19 HG LEU 3 HG LEU 3 -22.371 -3.736 1.559 20 HD11 LEU 3 1HD1 LEU 3 -20.511 -4.527 0.176 21 HD12 LEU 3 2HD1 LEU 3 -20.973 -5.774 1.334 22 HD13 LEU 3 3HD1 LEU 3 -19.533 -4.794 1.619 23 HD21 LEU 3 3HD2 LEU 3 -20.502 -4.025 3.932 24 HD22 LEU 3 1HD2 LEU 3 -21.700 -5.250 3.512 25 HD23 LEU 3 2HD2 LEU 3 -22.220 -3.626 3.957 26 H ASP 4 H ASP 4 -19.014 -0.413 3.603 27 HA ASP 4 HA ASP 4 -19.519 2.322 2.844 28 HB2 ASP 4 1HB ASP 4 -17.172 0.735 3.763 29 HB3 ASP 4 2HB ASP 4 -16.831 2.256 2.964 30 H VAL 5 H VAL 5 -17.647 3.207 1.219 31 HA VAL 5 HA VAL 5 -18.049 1.607 -1.261 32 HB VAL 5 HB VAL 5 -17.857 4.525 -0.657 33 HG11 VAL 5 1HG1 VAL 5 -16.076 4.286 -2.326 34 HG12 VAL 5 2HG1 VAL 5 -17.510 4.963 -3.107 35 HG13 VAL 5 3HG1 VAL 5 -17.119 3.256 -3.314 36 HG21 VAL 5 3HG2 VAL 5 -19.975 3.222 -0.918 37 HG22 VAL 5 1HG2 VAL 5 -19.530 2.951 -2.608 38 HG23 VAL 5 2HG2 VAL 5 -19.817 4.595 -2.029 39 HA PRO 6 HA PRO 6 -13.423 2.202 -1.394 40 HB2 PRO 6 1HB PRO 6 -12.085 3.927 0.076 41 HB3 PRO 6 2HB PRO 6 -13.204 4.531 -1.170 42 HG2 PRO 6 1HG PRO 6 -13.675 4.228 1.770 43 HG3 PRO 6 2HG PRO 6 -13.943 5.653 0.743 44 HD2 PRO 6 1HD PRO 6 -15.951 3.848 1.354 45 HD3 PRO 6 2HD PRO 6 -15.900 4.822 -0.124 46 H GLU 7 H GLU 7 -14.307 0.199 -0.060 47 HA GLU 7 HA GLU 7 -13.242 0.035 2.663 48 HB2 GLU 7 1HB GLU 7 -15.257 -1.129 2.588 49 HB3 GLU 7 2HB GLU 7 -15.029 -1.615 0.910 50 HG2 GLU 7 1HG GLU 7 -13.577 -3.371 1.480 51 HG3 GLU 7 2HG GLU 7 -13.276 -2.727 3.092 52 H GLN 8 H GLN 8 -12.655 -1.556 -0.503 53 HA GLN 8 HA GLN 8 -10.505 -3.194 0.313 54 HB2 GLN 8 1HB GLN 8 -10.410 -1.685 -2.300 55 HB3 GLN 8 2HB GLN 8 -9.911 -3.345 -1.959 56 HG2 GLN 8 1HG GLN 8 -12.466 -3.679 -1.352 57 HG3 GLN 8 2HG GLN 8 -12.682 -2.239 -2.343 58 HE21 GLN 8 2HE2 GLN 8 -11.953 -5.654 -2.406 59 HE22 GLN 8 1HE2 GLN 8 -11.856 -5.808 -4.094 60 H VAL 9 H VAL 9 -10.674 0.219 -0.421 61 HA VAL 9 HA VAL 9 -8.015 1.048 -0.417 62 HB VAL 9 HB VAL 9 -10.380 2.320 0.978 63 HG11 VAL 9 1HG1 VAL 9 -7.613 3.308 0.368 64 HG12 VAL 9 2HG1 VAL 9 -8.561 3.463 1.852 65 HG13 VAL 9 3HG1 VAL 9 -8.964 4.441 0.440 66 HG21 VAL 9 3HG2 VAL 9 -10.187 3.767 -1.240 67 HG22 VAL 9 1HG2 VAL 9 -11.078 2.243 -1.229 68 HG23 VAL 9 2HG2 VAL 9 -9.431 2.304 -1.868 69 H ASP 10 H ASP 10 -10.100 1.274 2.422 70 HA ASP 10 HA ASP 10 -8.225 1.581 4.425 71 HB2 ASP 10 1HB ASP 10 -10.577 1.685 4.902 72 HB3 ASP 10 2HB ASP 10 -10.822 0.011 4.396 73 H LYS 11 H LYS 11 -9.170 -1.418 2.823 74 HA LYS 11 HA LYS 11 -7.480 -3.078 4.519 75 HB2 LYS 11 1HB LYS 11 -8.677 -3.637 1.789 76 HB3 LYS 11 2HB LYS 11 -7.904 -4.832 2.826 77 HG2 LYS 11 1HG LYS 11 -9.637 -4.123 4.609 78 HG3 LYS 11 2HG LYS 11 -10.497 -3.353 3.274 79 HD2 LYS 11 1HD LYS 11 -10.282 -5.632 2.066 80 HD3 LYS 11 2HD LYS 11 -9.869 -6.284 3.652 81 HE2 LYS 11 1HE LYS 11 -12.008 -5.224 4.520 82 HE3 LYS 11 2HE LYS 11 -12.431 -4.903 2.835 83 HZ1 LYS 11 3HZ LYS 11 -12.677 -7.110 2.375 84 HZ2 LYS 11 1HZ LYS 11 -13.167 -7.108 3.999 85 HZ3 LYS 11 2HZ LYS 11 -11.598 -7.614 3.587 86 H LEU 12 H LEU 12 -7.237 -1.552 1.333 87 HA LEU 12 HA LEU 12 -4.713 -2.567 0.573 88 HB2 LEU 12 1HB LEU 12 -6.012 0.057 0.085 89 HB3 LEU 12 2HB LEU 12 -4.522 -0.407 -0.653 90 HG LEU 12 HG LEU 12 -7.204 -1.002 -1.498 91 HD11 LEU 12 1HD1 LEU 12 -5.391 -0.263 -2.928 92 HD12 LEU 12 2HD1 LEU 12 -6.006 -1.817 -3.499 93 HD13 LEU 12 3HD1 LEU 12 -4.500 -1.745 -2.574 94 HD21 LEU 12 3HD2 LEU 12 -5.507 -3.501 -1.290 95 HD22 LEU 12 1HD2 LEU 12 -7.128 -3.360 -1.951 96 HD23 LEU 12 2HD2 LEU 12 -6.875 -3.181 -0.225 97 H ILE 13 H ILE 13 -5.519 0.444 2.250 98 HA ILE 13 HA ILE 13 -3.067 1.453 2.900 99 HB ILE 13 HB ILE 13 -5.698 1.239 4.288 100 HG12 ILE 13 1HG1 ILE 13 -5.521 3.690 4.182 101 HG13 ILE 13 2HG1 ILE 13 -3.910 3.549 3.495 102 HG21 ILE 13 1HG2 ILE 13 -4.701 2.722 6.144 103 HG22 ILE 13 2HG2 ILE 13 -3.134 2.074 5.636 104 HG23 ILE 13 3HG2 ILE 13 -4.392 0.983 6.234 105 HD11 ILE 13 3HD1 ILE 13 -6.479 2.522 2.279 106 HD12 ILE 13 1HD1 ILE 13 -4.877 2.308 1.576 107 HD13 ILE 13 2HD1 ILE 13 -5.566 3.922 1.730 108 H GLN 14 H GLN 14 -4.730 -1.168 4.693 109 HA GLN 14 HA GLN 14 -2.785 -1.569 6.665 110 HB2 GLN 14 1HB GLN 14 -4.573 -3.611 5.332 111 HB3 GLN 14 2HB GLN 14 -3.658 -3.882 6.803 112 HG2 GLN 14 1HG GLN 14 -4.824 -1.863 7.789 113 HG3 GLN 14 2HG GLN 14 -5.884 -1.906 6.385 114 HE21 GLN 14 2HE2 GLN 14 -7.821 -2.646 7.340 115 HE22 GLN 14 1HE2 GLN 14 -7.957 -4.128 8.159 116 H GLN 15 H GLN 15 -2.991 -3.126 3.440 117 HA GLN 15 HA GLN 15 -0.369 -4.376 3.949 118 HB2 GLN 15 1HB GLN 15 -0.551 -5.219 1.600 119 HB3 GLN 15 2HB GLN 15 -1.888 -5.691 2.636 120 HG2 GLN 15 1HG GLN 15 -2.933 -5.014 0.646 121 HG3 GLN 15 2HG GLN 15 -3.101 -3.634 1.713 122 HE21 GLN 15 2HE2 GLN 15 -2.496 -1.669 0.760 123 HE22 GLN 15 1HE2 GLN 15 -1.391 -1.512 -0.519 124 H ALA 16 H ALA 16 -1.636 -1.534 2.419 125 HA ALA 16 HA ALA 16 0.529 -0.873 0.704 126 HB1 ALA 16 3HB ALA 16 -1.802 0.290 1.156 127 HB2 ALA 16 1HB ALA 16 -0.434 1.249 0.596 128 HB3 ALA 16 2HB ALA 16 -0.873 1.254 2.306 129 H THR 17 H THR 17 0.048 -0.177 4.190 130 HA THR 17 HA THR 17 2.296 1.407 4.652 131 HB THR 17 HB THR 17 0.676 -0.530 6.251 132 HG1 THR 17 HG1 THR 17 -0.057 1.284 6.960 133 HG21 THR 17 3HG2 THR 17 3.378 0.509 7.091 134 HG22 THR 17 1HG2 THR 17 2.782 -1.147 7.137 135 HG23 THR 17 2HG2 THR 17 2.140 0.050 8.261 136 H SER 18 H SER 18 2.091 -2.147 4.483 137 HA SER 18 HA SER 18 4.859 -2.606 5.077 138 HB2 SER 18 1HB SER 18 4.391 -4.830 4.621 139 HB3 SER 18 2HB SER 18 2.758 -4.236 4.878 140 HG SER 18 HG SER 18 2.522 -5.084 2.944 141 H ILE 19 H ILE 19 3.102 -2.366 1.950 142 HA ILE 19 HA ILE 19 5.227 -2.754 0.202 143 HB ILE 19 HB ILE 19 2.720 -1.101 0.162 144 HG12 ILE 19 1HG1 ILE 19 2.398 -2.587 -1.942 145 HG13 ILE 19 2HG1 ILE 19 3.772 -3.488 -1.345 146 HG21 ILE 19 1HG2 ILE 19 3.255 -0.580 -2.274 147 HG22 ILE 19 2HG2 ILE 19 4.930 -0.956 -1.864 148 HG23 ILE 19 3HG2 ILE 19 4.097 0.368 -1.052 149 HD11 ILE 19 3HD1 ILE 19 1.759 -4.547 -0.542 150 HD12 ILE 19 1HD1 ILE 19 1.171 -3.016 0.097 151 HD13 ILE 19 2HD1 ILE 19 2.575 -3.793 0.822 152 H GLU 20 H GLU 20 4.340 0.166 2.035 153 HA GLU 20 HA GLU 20 6.099 2.026 0.908 154 HB2 GLU 20 1HB GLU 20 4.424 2.178 2.950 155 HB3 GLU 20 2HB GLU 20 5.859 1.842 3.907 156 HG2 GLU 20 1HG GLU 20 6.922 3.776 2.418 157 HG3 GLU 20 2HG GLU 20 5.236 4.236 2.193 158 H ARG 21 H ARG 21 6.766 -0.508 3.287 159 HA ARG 21 HA ARG 21 9.583 0.202 3.541 160 HB2 ARG 21 1HB ARG 21 7.876 -2.111 4.470 161 HB3 ARG 21 2HB ARG 21 9.623 -2.125 4.683 162 HG2 ARG 21 1HG ARG 21 8.378 -1.230 6.673 163 HG3 ARG 21 2HG ARG 21 9.541 -0.090 6.000 164 HD2 ARG 21 1HD ARG 21 7.841 1.190 4.949 165 HD3 ARG 21 2HD ARG 21 6.639 -0.086 5.163 166 HE ARG 21 HE ARG 21 7.335 1.928 7.123 167 HH11 ARG 21 1HH2 ARG 21 6.404 -1.356 6.640 168 HH12 ARG 21 2HH2 ARG 21 5.624 -1.500 8.179 169 HH21 ARG 21 1HH1 ARG 21 6.320 1.760 9.134 170 HH22 ARG 21 2HH1 ARG 21 5.574 0.264 9.591 171 H LEU 22 H LEU 22 7.735 -2.335 1.840 172 HA LEU 22 HA LEU 22 10.012 -3.711 0.770 173 HB2 LEU 22 1HB LEU 22 7.306 -3.491 -0.560 174 HB3 LEU 22 2HB LEU 22 8.466 -4.797 -0.687 175 HG LEU 22 HG LEU 22 6.735 -4.091 1.630 176 HD11 LEU 22 1HD1 LEU 22 5.874 -5.664 -0.042 177 HD12 LEU 22 2HD1 LEU 22 6.160 -6.480 1.496 178 HD13 LEU 22 3HD1 LEU 22 7.311 -6.663 0.173 179 HD21 LEU 22 3HD2 LEU 22 8.009 -5.921 2.874 180 HD22 LEU 22 1HD2 LEU 22 8.865 -4.391 2.696 181 HD23 LEU 22 2HD2 LEU 22 9.261 -5.749 1.644 182 H CYS 23 H CYS 23 7.751 -1.555 -0.952 183 HA CYS 23 HA CYS 23 9.041 -1.189 -3.357 184 HB2 CYS 23 1HB CYS 23 8.059 1.054 -3.411 185 HB3 CYS 23 2HB CYS 23 6.924 -0.079 -2.699 186 HG CYS 23 HG CYS 23 7.113 1.091 -0.506 187 H GLN 24 H GLN 24 9.762 0.783 -0.437 188 HA GLN 24 HA GLN 24 11.826 2.330 -1.492 189 HB2 GLN 24 1HB GLN 24 11.290 1.177 1.238 190 HB3 GLN 24 2HB GLN 24 12.776 2.071 0.952 191 HG2 GLN 24 1HG GLN 24 11.520 4.029 0.227 192 HG3 GLN 24 2HG GLN 24 10.003 3.137 0.351 193 HE21 GLN 24 2HE2 GLN 24 10.418 5.521 1.866 194 HE22 GLN 24 1HE2 GLN 24 10.513 5.108 3.510 195 H HIS 25 H HIS 25 11.786 -1.075 -0.799 196 HA HIS 25 HA HIS 25 14.734 -1.294 -1.090 197 HB2 HIS 25 1HB HIS 25 13.126 -2.594 0.590 198 HB3 HIS 25 2HB HIS 25 12.912 -3.672 -0.777 199 HD1 HIS 25 HD1 HIS 25 15.847 -2.038 1.056 200 HD2 HIS 25 HD2 HIS 25 14.877 -5.610 -0.868 201 HE1 HIS 25 HE1 HIS 25 17.863 -3.554 1.300 202 HE2 HIS 25 HE2 HIS 25 17.284 -5.731 0.133 203 H TYR 26 H TYR 26 11.982 -3.137 -2.374 204 HA TYR 26 HA TYR 26 13.201 -4.341 -4.540 205 HB2 TYR 26 1HB TYR 26 10.391 -3.290 -4.213 206 HB3 TYR 26 2HB TYR 26 10.885 -4.179 -5.652 207 HD1 TYR 26 HD1 TYR 26 10.350 -4.384 -2.010 208 HD2 TYR 26 HD2 TYR 26 11.439 -6.543 -5.559 209 HE1 TYR 26 HE1 TYR 26 10.071 -6.528 -0.792 210 HE2 TYR 26 HE2 TYR 26 11.161 -8.686 -4.342 211 HH TYR 26 HH TYR 26 11.291 -9.173 -1.427 212 H ILE 27 H ILE 27 11.164 -1.418 -5.151 213 HA ILE 27 HA ILE 27 12.760 -0.965 -7.569 214 HB ILE 27 HB ILE 27 10.290 -0.753 -7.627 215 HG12 ILE 27 1HG1 ILE 27 11.701 1.855 -8.215 216 HG13 ILE 27 2HG1 ILE 27 11.849 0.420 -9.215 217 HG21 ILE 27 1HG2 ILE 27 9.505 1.590 -6.723 218 HG22 ILE 27 2HG2 ILE 27 10.856 1.407 -5.627 219 HG23 ILE 27 3HG2 ILE 27 9.575 0.209 -5.637 220 HD11 ILE 27 3HD1 ILE 27 9.354 2.030 -8.667 221 HD12 ILE 27 1HD1 ILE 27 9.311 0.423 -9.394 222 HD13 ILE 27 2HD1 ILE 27 10.134 1.742 -10.222 223 H GLY 28 H GLY 28 12.458 0.450 -4.389 224 HA2 GLY 28 1HA GLY 28 14.453 1.715 -3.560 225 HA3 GLY 28 2HA GLY 28 14.525 2.498 -5.138 226 H TRP 29 H TRP 29 11.766 2.957 -5.501 227 HA TRP 29 HA TRP 29 11.054 4.825 -3.272 228 HB2 TRP 29 1HB TRP 29 10.354 6.466 -4.933 229 HB3 TRP 29 2HB TRP 29 12.023 6.006 -5.266 230 HD1 TRP 29 HD1 TRP 29 12.162 3.772 -7.038 231 HE1 TRP 29 HE1 TRP 29 10.886 3.498 -9.264 232 HE3 TRP 29 HE3 TRP 29 8.419 7.170 -6.333 233 HZ2 TRP 29 HZ2 TRP 29 8.606 4.586 -10.574 234 HZ3 TRP 29 HZ3 TRP 29 6.710 7.536 -8.092 235 HH2 TRP 29 HH2 TRP 29 6.798 6.247 -10.210 236 H CYS 30 H CYS 30 8.565 5.627 -4.302 237 HA CYS 30 HA CYS 30 7.047 3.099 -4.037 238 HB2 CYS 30 1HB CYS 30 5.096 4.834 -4.033 239 HB3 CYS 30 2HB CYS 30 6.164 4.758 -2.634 240 HG CYS 30 HG CYS 30 6.059 7.056 -4.690 241 HA PRO 31 HA PRO 31 6.685 3.426 -8.569 242 HB2 PRO 31 1HB PRO 31 5.424 1.006 -9.014 243 HB3 PRO 31 2HB PRO 31 7.175 1.208 -8.856 244 HG2 PRO 31 1HG PRO 31 5.233 0.126 -6.910 245 HG3 PRO 31 2HG PRO 31 6.955 -0.220 -7.100 246 HD2 PRO 31 1HD PRO 31 5.835 1.442 -5.123 247 HD3 PRO 31 2HD PRO 31 7.544 1.393 -5.582 248 H PHE 32 H PHE 32 4.095 2.855 -6.290 249 HA PHE 32 HA PHE 32 1.974 3.341 -8.244 250 HB2 PHE 32 1HB PHE 32 2.092 2.792 -5.290 251 HB3 PHE 32 2HB PHE 32 0.626 3.481 -5.975 252 HD1 PHE 32 HD1 PHE 32 3.070 0.898 -7.192 253 HD2 PHE 32 HD2 PHE 32 -1.013 1.833 -6.244 254 HE1 PHE 32 HE1 PHE 32 2.378 -1.350 -7.964 255 HE2 PHE 32 HE2 PHE 32 -1.705 -0.417 -7.018 256 HZ PHE 32 HZ PHE 32 -0.010 -2.010 -7.877 257 H TRP 33 H TRP 33 2.667 4.983 -5.139 258 HA TRP 33 HA TRP 33 1.729 7.531 -6.315 259 HB2 TRP 33 1HB TRP 33 2.215 8.283 -3.854 260 HB3 TRP 33 2HB TRP 33 0.829 7.241 -4.167 261 HD1 TRP 33 HD1 TRP 33 4.260 7.274 -2.561 262 HE1 TRP 33 HE1 TRP 33 4.595 5.075 -1.242 263 HE3 TRP 33 HE3 TRP 33 0.134 4.699 -4.085 264 HZ2 TRP 33 HZ2 TRP 33 3.290 2.567 -0.897 265 HZ3 TRP 33 HZ3 TRP 33 -0.296 2.405 -3.263 266 HH2 TRP 33 HH2 TRP 33 1.272 1.333 -1.664
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